| 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 | 48.4 | Very low | 63.9 | Low | 84 Ų | 84 | 78.6 Ų | 78.6 | 41% | 0.414 | 47% | 0.466 | S | S | . | . | 0 | -65.2 | 0 | -84.7 | -53.5 | -177.9 | 0 | 0 | 112.8 | S3 I4 L8 G68 L71 L72 | M1-S3 PolarHBondContact O-N 2.98Å; M1-I4 PolarHBondContact O-N 2.75Å; M1-L8 HydrophobicContact CE-CD1 4.35Å; M1-L8 HydrophobicContact SD-CD1 4.42Å; M1-G68 WeakPolarHBondContact CE-O 3.44Å; M1-L71 HydrophobicContact CE-CB 3.79Å; M1-L72 VanDerWaalsContact CE-CA 3.41Å; M1-L72 HydrophobicContact CE-CB 3.77Å; M1-L72 HydrophobicContact CE-CD1 4.31Å | |||
| 2 | P | 41.7 | Very low | 64.8 | Low | 135 Ų | 135 | 79.3 Ų | 79.3 | 88% | 0.877 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -56.5 | -23.6 | 179.4 | -25.8 | 35.2 | 0 | 0 | 0 | 114.7 | I4 | P2-I4 PolarHBondContact O-N 3.3Š|
| 3 | S | 48 | Very low | 65.5 | Low | 110 Ų | 110 | 85.4 Ų | 85.4 | 77% | 0.769 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -75.6 | -5.5 | -179.4 | 48.1 | 0 | 0 | 0 | 0 | 116.7 | M1 | M1-S3 PolarHBondContact O-N 2.98Š|
| 4 | I | 53.1 | Low | 66.5 | Low | 78 Ų | 78 | 81.1 Ų | 81.1 | 40% | 0.4 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -113.6 | -8.5 | -170.9 | -56 | 179.1 | 0 | 0 | 0 | 112.7 | M1 P2 L6 L71 L110 | M1-I4 PolarHBondContact O-N 2.75Å; P2-I4 PolarHBondContact O-N 3.3Å; I4-L6 HydrophobicContact CG2-CD1 3.88Å; I4-L6 HydrophobicContact CG2-CG 4.24Å; I4-L6 PolarHBondContact O-N 3.48Å; I4-L71 HydrophobicContact CG2-CD1 4.37Å; I4-L110 HydrophobicContact CG2-CD2 4.12Å |
| 5 | G | 56.5 | Low | 67.5 | Low | 77 Ų | 77 | 82.3 Ų | 82.3 | 79% | 0.794 | 48% | 0.476 | S | S | * | . | trans | 68.6 | 10.8 | 174 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 6 | L | 62.9 | Low | 68.4 | Low | 64 Ų | 64 | 82.2 Ų | 82.2 | 34% | 0.335 | 48% | 0.478 | S | S | . | . | trans | -94.5 | 127.4 | 175.8 | -69.9 | 168.7 | 0 | 0 | 0 | 110.7 | I4 K67 L71 | I4-L6 HydrophobicContact CG2-CD1 3.88Å; I4-L6 HydrophobicContact CG2-CG 4.24Å; I4-L6 PolarHBondContact O-N 3.48Å; L6-K67 HydrophobicContact CD1-CB 4.28Å; L6-K67 HydrophobicContact CD1-CD 4Å; L6-K67 HydrophobicContact CD1-CG 3.77Å; L6-K67 HydrophobicContact CD2-CD 4.34Å; L6-L71 HydrophobicContact CD1-CD1 3.65Å | ||
| 7 | E | 69.4 | Low | 69.5 | Low | 153 Ų | 153 | 77.9 Ų | 77.9 | 72% | 0.715 | 45% | 0.453 | S | S | * | . | trans | -69.8 | 142.3 | 173.1 | -164.1 | 173.3 | -177 | 0 | 0 | 110.9 | I9 | E7-I9 HydrophobicContact CB-CD1 4.28Å; E7-I9 HydrophobicContact CB-CG1 4.32Å; E7-I9 HydrophobicContact CG-CD1 4.33Å; E7-I9 HydrophobicContact CG-CG1 4.03Å; E7-I9 PolarHBondContact O-N 3.26Å | ||
| 8 | L | 78.3 | Confident | 70.2 | Confident | 62 Ų | 62 | 77.2 Ų | 77.2 | 33% | 0.325 | 45% | 0.447 | S | S | . | . | trans | -99.6 | 73.4 | -171 | -150.4 | 158.4 | 0 | 0 | 0 | 110.5 | M1 F10 L72 | M1-L8 HydrophobicContact CE-CD1 4.35Å; M1-L8 HydrophobicContact SD-CD1 4.42Å; L8-F10 HydrophobicContact CD2-CD2 4.14Å; L8-F10 HydrophobicContact CD2-CE1 4.47Å; L8-F10 HydrophobicContact CD2-CE2 3.31Å; L8-F10 HydrophobicContact CD2-CZ 3.5Å; L8-L72 HydrophobicContact CD1-CB 4.31Å; L8-L72 HydrophobicContact CD1-CD1 4.39Å; L8-L72 HydrophobicContact CD1-CD2 4.17Å; L8-L72 HydrophobicContact CD2-CD2 3.96Å | ||
| 9 | I | 80.4 | Confident | 70.4 | Confident | 56 Ų | 56 | 75.3 Ų | 75.3 | 29% | 0.287 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 130.8 | -174.4 | -64.2 | 164.8 | 0 | 0 | 0 | 110.4 | E7 K65 Y66 | E7-I9 HydrophobicContact CB-CD1 4.28Å; E7-I9 HydrophobicContact CB-CG1 4.32Å; E7-I9 HydrophobicContact CG-CD1 4.33Å; E7-I9 HydrophobicContact CG-CG1 4.03Å; E7-I9 PolarHBondContact O-N 3.26Å; I9-K65 HydrophobicContact CB-CB 4.5Å; I9-K65 HydrophobicContact CD1-CB 3.8Å; I9-K65 HydrophobicContact CG2-CB 4.48Å; I9-K65 HydrophobicContact CG2-CG 4.49Å; I9-Y66 HydrophobicContact CG2-CE1 4.26Å |
| 10 | F | 82.2 | Confident | 70.9 | Confident | 44 Ų | 44 | 78.8 Ų | 78.8 | 19% | 0.193 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -101.6 | 148.4 | 173.4 | -71.3 | -90.9 | 0 | 0 | 0 | 110.8 | L8 C14 P16 I17 L69 L72 | L8-F10 HydrophobicContact CD2-CD2 4.14Å; L8-F10 HydrophobicContact CD2-CE1 4.47Å; L8-F10 HydrophobicContact CD2-CE2 3.31Å; L8-F10 HydrophobicContact CD2-CZ 3.5Å; F10-C14 HydrophobicContact CB-CB 4.05Å; F10-C14 HydrophobicContact CD1-CB 4.5Å; F10-P16 HydrophobicContact CD2-CB 4.32Å; F10-P16 HydrophobicContact CE2-CB 3.74Å; F10-P16 HydrophobicContact CZ-CB 4.12Å; F10-I17 HydrophobicContact CE1-CB 4.23Å; F10-I17 HydrophobicContact CE1-CD1 4.4Å; F10-I17 HydrophobicContact CE1-CG1 3.97Å; F10-I17 HydrophobicContact CZ-CB 4.38Å; F10-L69 HydrophobicContact CD1-CD1 3.88Å; F10-L69 HydrophobicContact CD1-CD2 4.18Å; F10-L69 HydrophobicContact CE1-CD1 3.46Å; F10-L69 VanDerWaalsContact CE1-CD1 3.46Å; F10-L69 HydrophobicContact CZ-CD1 4.05Å; F10-L72 HydrophobicContact CZ-CD2 4.26Å |
| 11 | P | 82.3 | Confident | 71.5 | Confident | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.013 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 156.3 | 170 | -25.2 | 35.2 | 0 | 0 | 0 | 112.7 | C14 L33 A36 L37 Y66 | P11-C14 VanDerWaalsContact O-CB 3.26Å; P11-C14 WeakPolarHBondContact O-CB 3.42Å; P11-C14 PolarHBondContact O-N 3.49Å; P11-L33 HydrophobicContact CG-CD1 3.79Å; P11-A36 HydrophobicContact CB-CB 3.83Å; P11-L37 HydrophobicContact CG-CD2 3.88Å; P11-L37 HydrophobicContact CG-CG 4.4Å; P11-Y66 HydrophobicContact CB-CE1 4.41Å; P11-Y66 HydrophobicContact CG-CD1 4.41Å; P11-Y66 HydrophobicContact CG-CE1 3.79Å |
| 12 | P | 74.6 | Confident | 73.4 | Confident | 87 Ų | 87 | 76 Ų | 76 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 148.2 | 178.1 | 22.7 | -33.2 | 0 | 0 | 0 | 112.3 | C14 | P12-C14 PolarHBondContact O-N 2.75Š|
| 13 | N | 73.8 | Confident | 75.6 | Confident | 158 Ų | 158 | 74.3 Ų | 74.3 | 85% | 0.845 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 5.8 | -174.9 | -52.3 | -58.8 | 0 | 0 | 0 | 116.4 | ||
| 14 | C | 79.8 | Confident | 77.6 | Confident | 25 Ų | 25 | 75.5 Ų | 75.5 | 17% | 0.169 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -90 | 143.2 | 174.6 | -65.9 | 0 | 0 | 0 | 0 | 113 | F10 P11 P12 L33 A36 | F10-C14 HydrophobicContact CB-CB 4.05Å; F10-C14 HydrophobicContact CD1-CB 4.5Å; P11-C14 VanDerWaalsContact O-CB 3.26Å; P11-C14 WeakPolarHBondContact O-CB 3.42Å; P11-C14 PolarHBondContact O-N 3.49Å; P12-C14 PolarHBondContact O-N 2.75Å; C14-L33 VanDerWaalsContact SG-CA 3.59Å; C14-A36 WeakPolarHBondContact SG-CB 3.45Å |
| 15 | K | 80.8 | Confident | 79.3 | Confident | 100 Ų | 100 | 73.8 Ų | 73.8 | 44% | 0.435 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -90.9 | 147.9 | 166.9 | -69.3 | 179.8 | -178.5 | 178.3 | 0 | 110.4 | R29 | K15-R29 HydrophobicContact CB-CG 4.15Š|
| 16 | P | 82.5 | Confident | 80.9 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 153.3 | 179 | 26.2 | -35.1 | 0 | 0 | 0 | 112.3 | F10 R29 | F10-P16 HydrophobicContact CD2-CB 4.32Å; F10-P16 HydrophobicContact CE2-CB 3.74Å; F10-P16 HydrophobicContact CZ-CB 4.12Å; P16-R29 VanDerWaalsContact O-CD 3.25Å; P16-R29 WeakPolarHBondContact O-CD 3.27Å; P16-R29 PolarHBondContact O-NH1 3.17Å |
| 17 | I | 86.9 | Confident | 82.2 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 5% | 0.046 | 38% | 0.377 | C | S | . | . | trans | -123.2 | 134.5 | -175.5 | -54.5 | -177.3 | 0 | 0 | 0 | 109.1 | F10 L21 L26 R29 L30 L33 L72 F78 | F10-I17 HydrophobicContact CE1-CB 4.23Å; F10-I17 HydrophobicContact CE1-CD1 4.4Å; F10-I17 HydrophobicContact CE1-CG1 3.97Å; F10-I17 HydrophobicContact CZ-CB 4.38Å; I17-L21 HydrophobicContact CG2-CD1 4.24Å; I17-L26 HydrophobicContact CG2-CD1 3.47Å; I17-L26 VanDerWaalsContact CG2-CD1 3.47Å; I17-R29 HydrophobicContact CD1-CB 4.09Å; I17-R29 HydrophobicContact CG1-CB 3.95Å; I17-L30 HydrophobicContact CD1-CD2 3.88Å; I17-L30 HydrophobicContact CD1-CG 4.23Å; I17-L33 HydrophobicContact CD1-CB 4.44Å; I17-L33 HydrophobicContact CD1-CD2 3.9Å; I17-L72 WeakPolarHBondContact O-CD2 3.13Å; I17-F78 HydrophobicContact CG2-CE1 3.66Å; I17-F78 HydrophobicContact CG2-CZ 3.92Å | ||
| 18 | N | 82.8 | Confident | 83.1 | Confident | 65 Ų | 65 | 70.3 Ų | 70.3 | 35% | 0.348 | 37% | 0.368 | S | S | . | . | trans | -146.4 | 162 | 176.5 | 61.3 | -59.3 | 0 | 0 | 0 | 110.3 | D20 L21 | N18-D20 PolarHBondContact ND2-OD2 3.18Å; N18-D20 PolarHBondContact O-N 3.45Å; N18-L21 WeakPolarHBondContact O-CG 3.4Å; N18-L21 PolarHBondContact O-N 3.28Å; N18-L21 WeakPolarHBondContact OD1-CG 3.43Å | ||
| 19 | G | 73.5 | Confident | 83.7 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L21 | G19-L21 VanDerWaalsContact C-N 3.25Å; G19-L21 PolarHBondContact O-N 3.13Å |
| 20 | D | 79.3 | Confident | 84.2 | Confident | 145 Ų | 145 | 66.8 Ų | 66.8 | 78% | 0.775 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -1 | -175.5 | -39 | -83.3 | 0 | 0 | 0 | 114.3 | N18 | N18-D20 PolarHBondContact ND2-OD2 3.18Å; N18-D20 PolarHBondContact O-N 3.45Å |
| 21 | L | 85.1 | Confident | 84.6 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 16% | 0.162 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -71.4 | 144.3 | -177.8 | -68 | 173.5 | 0 | 0 | 0 | 112.3 | I17 N18 G19 E25 L26 | I17-L21 HydrophobicContact CG2-CD1 4.24Å; N18-L21 WeakPolarHBondContact O-CG 3.4Å; N18-L21 PolarHBondContact O-N 3.28Å; N18-L21 WeakPolarHBondContact OD1-CG 3.43Å; G19-L21 VanDerWaalsContact C-N 3.25Å; G19-L21 PolarHBondContact O-N 3.13Å; L21-E25 HydrophobicContact CD2-CG 4.21Å; L21-L26 HydrophobicContact CB-CB 4.06Å; L21-L26 HydrophobicContact CD1-CD1 4.42Å |
| 22 | S | 88 | Confident | 85 | Confident | 72 Ų | 72 | 69 Ų | 69 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | trans | -60 | 148.4 | 168.4 | 66.6 | 0 | 0 | 0 | 0 | 110.5 | E24 E25 L26 | S22-E24 PolarHBondContact O-N 3.15Å; S22-E24 VanDerWaalsContact O-N 3.15Å; S22-E25 PolarHBondContact O-N 2.83Å; S22-E25 VanDerWaalsContact O-N 3.12Å; S22-E25 WeakPolarHBondContact OG-CB 3.45Å; S22-E25 PolarHBondContact OG-N 3.12Å; S22-L26 WeakPolarHBondContact O-CB 3.41Å; S22-L26 PolarHBondContact O-N 2.76Å | ||
| 23 | K | 88.5 | Confident | 85.8 | Confident | 101 Ų | 101 | 65 Ų | 65 | 44% | 0.439 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.5 | -36.2 | -174.7 | -64.9 | -179.7 | -178 | 178.7 | 0 | 111.8 | R27 I86 | K23-R27 VanDerWaalsContact O-CB 3.26Å; K23-R27 WeakPolarHBondContact O-CB 3.45Å; K23-R27 WeakPolarHBondContact O-CD 3.41Å; K23-R27 WeakPolarHBondContact O-CG 3.37Å; K23-R27 PolarHBondContact O-N 2.79Å; K23-I86 HydrophobicContact CB-CD1 4.03Å; K23-I86 HydrophobicContact CG-CD1 4.29Å |
| 24 | E | 88 | Confident | 86.5 | Confident | 134 Ų | 134 | 58.5 Ų | 58.5 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68.5 | -45.1 | 179.4 | -68.6 | 60.4 | -134.7 | 0 | 0 | 111.8 | S22 R28 | S22-E24 PolarHBondContact O-N 3.15Å; S22-E24 VanDerWaalsContact O-N 3.15Å; E24-R28 WeakPolarHBondContact O-CB 3.43Å; E24-R28 PolarHBondContact O-N 3.11Å |
| 25 | E | 89.3 | Confident | 86.9 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 20% | 0.201 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -72 | -36.3 | 176.9 | -178.8 | 67.5 | 174.5 | 0 | 0 | 111.4 | L21 S22 R28 R29 | L21-E25 HydrophobicContact CD2-CG 4.21Å; S22-E25 PolarHBondContact O-N 2.83Å; S22-E25 VanDerWaalsContact O-N 3.12Å; S22-E25 WeakPolarHBondContact OG-CB 3.45Å; S22-E25 PolarHBondContact OG-N 3.12Å; E25-R28 WeakPolarHBondContact O-CB 3.25Å; E25-R28 PolarHBondContact O-N 2.84Å; E25-R29 HydrophobicContact CG-CG 4.48Å; E25-R29 WeakPolarHBondContact O-CG 3.36Å; E25-R29 PolarHBondContact O-N 3.23Å; E25-R29 IonicContact OE1-CZ 3.21Å; E25-R29 IonicContact OE1-NE 2.79Å; E25-R29 PolarHBondContact OE1-NE 3.36Å; E25-R29 IonicContact OE1-NH2 2.75Å; E25-R29 PolarHBondContact OE1-NH2 2.89Å |
| 26 | L | 90.6 | Very high | 87.2 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 173.5 | 179.9 | 53.4 | 0 | 0 | 0 | 111.4 | I17 L21 S22 R28 R29 L30 F78 I86 | I17-L26 HydrophobicContact CG2-CD1 3.47Å; I17-L26 VanDerWaalsContact CG2-CD1 3.47Å; L21-L26 HydrophobicContact CB-CB 4.06Å; L21-L26 HydrophobicContact CD1-CD1 4.42Å; S22-L26 WeakPolarHBondContact O-CB 3.41Å; S22-L26 PolarHBondContact O-N 2.76Å; L26-R28 VanDerWaalsContact C-N 3.26Å; L26-R28 PolarHBondContact O-N 2.93Å; L26-R29 PolarHBondContact O-N 3.09Å; L26-L30 HydrophobicContact CD1-CD1 3.74Å; L26-L30 HydrophobicContact CD1-CG 3.94Å; L26-L30 HydrophobicContact CG-CD1 3.93Å; L26-L30 VanDerWaalsContact O-CB 3.3Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 VanDerWaalsContact O-CG 3.29Å; L26-L30 WeakPolarHBondContact O-CG 3.22Å; L26-L30 PolarHBondContact O-N 3.32Å; L26-F78 HydrophobicContact CD1-CE1 4.01Å; L26-I86 HydrophobicContact CB-CD1 4.39Å; L26-I86 HydrophobicContact CD2-CD1 4.04Å; L26-I86 HydrophobicContact CD2-CG2 4.02Å; L26-I86 HydrophobicContact CG-CD1 4.18Å; L26-I86 HydrophobicContact CG-CG1 4.49Å; L26-I86 HydrophobicContact CG-CG2 4.27Å |
| 27 | R | 89.8 | Confident | 87.5 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 31% | 0.306 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.5 | -41 | 171 | -77.5 | 163.6 | 173.6 | -128.5 | 6 | 111.4 | K23 T31 D83 D85 I86 | K23-R27 VanDerWaalsContact O-CB 3.26Å; K23-R27 WeakPolarHBondContact O-CB 3.45Å; K23-R27 WeakPolarHBondContact O-CD 3.41Å; K23-R27 WeakPolarHBondContact O-CG 3.37Å; K23-R27 PolarHBondContact O-N 2.79Å; R27-T31 PolarHBondContact O-N 3.05Å; R27-T31 PolarHBondContact O-OG1 2.63Å; R27-D83 IonicContact CZ-OD1 2.62Å; R27-D83 IonicContact CZ-OD2 2.67Å; R27-D83 VanDerWaalsContact CZ-OD2 3.28Å; R27-D83 IonicContact NE-OD2 3.54Å; R27-D83 PolarHBondContact NE-OD2 2.83Å; R27-D83 VanDerWaalsContact NH2-CG 3.27Å; R27-D83 IonicContact NH2-OD1 2.66Å; R27-D83 PolarHBondContact NH2-OD1 2.77Å; R27-D83 IonicContact NH2-OD2 2.89Å; R27-D83 PolarHBondContact NH2-OD2 3.49Å; R27-D85 IonicContact CZ-OD2 3.11Å; R27-D85 IonicContact NE-OD2 3.28Å; R27-D85 IonicContact NH1-OD2 2.69Å; R27-I86 HydrophobicContact CG-CD1 3.93Å; R27-I86 HydrophobicContact CG-CG1 3.51Å |
| 28 | R | 89.2 | Confident | 87.4 | Confident | 137 Ų | 137 | 56.2 Ų | 56.2 | 52% | 0.517 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.3 | -58.2 | 177.2 | -179.2 | -176 | 172.1 | 144.6 | 10.7 | 111.5 | E24 E25 L26 L30 T31 E32 | E24-R28 WeakPolarHBondContact O-CB 3.43Å; E24-R28 PolarHBondContact O-N 3.11Å; E25-R28 WeakPolarHBondContact O-CB 3.25Å; E25-R28 PolarHBondContact O-N 2.84Å; L26-R28 VanDerWaalsContact C-N 3.26Å; L26-R28 PolarHBondContact O-N 2.93Å; R28-L30 VanDerWaalsContact C-N 3.33Å; R28-L30 PolarHBondContact O-N 3.06Å; R28-T31 CarbonylContact O-C 3.6Å; R28-T31 WeakPolarHBondContact O-CA 3.41Å; R28-T31 VanDerWaalsContact O-CB 3.3Å; R28-T31 WeakPolarHBondContact O-CB 3.31Å; R28-T31 PolarHBondContact O-N 3.37Å; R28-E32 IonicContact CZ-OE1 2.62Å; R28-E32 VanDerWaalsContact CZ-OE1 3.29Å; R28-E32 IonicContact NE-OE1 3.89Å; R28-E32 PolarHBondContact NE-OE1 3.07Å; R28-E32 IonicContact NE-OE2 2.62Å; R28-E32 IonicContact NH2-OE1 2.69Å; R28-E32 PolarHBondContact NH2-OE1 3.09Å; R28-E32 PolarHBondContact O-N 2.97Å |
| 29 | R | 91.1 | Very high | 87.5 | Confident | 43 Ų | 43 | 57.3 Ų | 57.3 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -36.4 | -176.9 | -66.1 | -173.9 | -167 | 174.7 | 11.7 | 112.8 | K15 P16 I17 E25 L26 T31 E32 L33 | K15-R29 HydrophobicContact CB-CG 4.15Å; P16-R29 VanDerWaalsContact O-CD 3.25Å; P16-R29 WeakPolarHBondContact O-CD 3.27Å; P16-R29 PolarHBondContact O-NH1 3.17Å; I17-R29 HydrophobicContact CD1-CB 4.09Å; I17-R29 HydrophobicContact CG1-CB 3.95Å; E25-R29 HydrophobicContact CG-CG 4.48Å; E25-R29 WeakPolarHBondContact O-CG 3.36Å; E25-R29 PolarHBondContact O-N 3.23Å; E25-R29 IonicContact OE1-CZ 3.21Å; E25-R29 IonicContact OE1-NE 2.79Å; E25-R29 PolarHBondContact OE1-NE 3.36Å; E25-R29 IonicContact OE1-NH2 2.75Å; E25-R29 PolarHBondContact OE1-NH2 2.89Å; L26-R29 PolarHBondContact O-N 3.09Å; R29-T31 PolarHBondContact O-N 3.47Å; R29-E32 PolarHBondContact O-N 3.04Å; R29-L33 VanDerWaalsContact O-CB 3.31Å; R29-L33 WeakPolarHBondContact O-CB 3.36Å; R29-L33 PolarHBondContact O-N 3.35Å |
| 30 | L | 91.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65 | -23.7 | 171.3 | -73 | 168.6 | 0 | 0 | 0 | 113.1 | I17 L26 R28 C34 L73 I86 R89 V90 | I17-L30 HydrophobicContact CD1-CD2 3.88Å; I17-L30 HydrophobicContact CD1-CG 4.23Å; L26-L30 HydrophobicContact CD1-CD1 3.74Å; L26-L30 HydrophobicContact CD1-CG 3.94Å; L26-L30 HydrophobicContact CG-CD1 3.93Å; L26-L30 VanDerWaalsContact O-CB 3.3Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 VanDerWaalsContact O-CG 3.29Å; L26-L30 WeakPolarHBondContact O-CG 3.22Å; L26-L30 PolarHBondContact O-N 3.32Å; R28-L30 VanDerWaalsContact C-N 3.33Å; R28-L30 PolarHBondContact O-N 3.06Å; L30-C34 WeakPolarHBondContact O-CB 3.45Å; L30-C34 PolarHBondContact O-N 3.06Å; L30-L73 HydrophobicContact CD2-CD2 3.84Å; L30-I86 HydrophobicContact CD1-CG2 3.87Å; L30-R89 HydrophobicContact CB-CB 3.9Å; L30-R89 HydrophobicContact CD1-CB 4.16Å; L30-V90 HydrophobicContact CD1-CG2 3.86Å; L30-V90 HydrophobicContact CD2-CG2 4.08Å |
| 31 | T | 89.5 | Confident | 88.3 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 26% | 0.264 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -83 | -40.9 | 174.2 | -50.2 | 0 | 0 | 0 | 0 | 111.3 | R27 R28 R29 L33 C34 N35 R89 | R27-T31 PolarHBondContact O-N 3.05Å; R27-T31 PolarHBondContact O-OG1 2.63Å; R28-T31 CarbonylContact O-C 3.6Å; R28-T31 WeakPolarHBondContact O-CA 3.41Å; R28-T31 VanDerWaalsContact O-CB 3.3Å; R28-T31 WeakPolarHBondContact O-CB 3.31Å; R28-T31 PolarHBondContact O-N 3.37Å; R29-T31 PolarHBondContact O-N 3.47Å; T31-L33 VanDerWaalsContact C-N 3.32Å; T31-L33 PolarHBondContact O-N 3.44Å; T31-C34 PolarHBondContact O-N 3.48Å; T31-N35 PolarHBondContact O-N 3.26Å; T31-N35 PolarHBondContact O-OD1 3.02Å; T31-R89 PolarHBondContact OG1-NH1 3.46Å |
| 32 | E | 90.2 | Very high | 88.1 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 24% | 0.238 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 171.6 | -67.3 | 170.4 | 164.9 | 0 | 0 | 110.1 | R28 R29 N35 A36 | R28-E32 IonicContact CZ-OE1 2.62Å; R28-E32 VanDerWaalsContact CZ-OE1 3.29Å; R28-E32 IonicContact NE-OE1 3.89Å; R28-E32 PolarHBondContact NE-OE1 3.07Å; R28-E32 IonicContact NE-OE2 2.62Å; R28-E32 IonicContact NH2-OE1 2.69Å; R28-E32 PolarHBondContact NH2-OE1 3.09Å; R28-E32 PolarHBondContact O-N 2.97Å; R29-E32 PolarHBondContact O-N 3.04Å; E32-N35 PolarHBondContact O-N 3.37Å; E32-A36 PolarHBondContact O-N 3.48Å |
| 33 | L | 91.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 172.4 | 177.3 | 60 | 0 | 0 | 0 | 113.3 | P11 C14 I17 R29 T31 N35 A36 L37 L69 L73 | P11-L33 HydrophobicContact CG-CD1 3.79Å; C14-L33 VanDerWaalsContact SG-CA 3.59Å; I17-L33 HydrophobicContact CD1-CB 4.44Å; I17-L33 HydrophobicContact CD1-CD2 3.9Å; R29-L33 VanDerWaalsContact O-CB 3.31Å; R29-L33 WeakPolarHBondContact O-CB 3.36Å; R29-L33 PolarHBondContact O-N 3.35Å; T31-L33 VanDerWaalsContact C-N 3.32Å; T31-L33 PolarHBondContact O-N 3.44Å; L33-N35 PolarHBondContact O-N 3.34Å; L33-A36 PolarHBondContact O-N 3.3Å; L33-L37 HydrophobicContact CD1-CD1 3.97Å; L33-L37 HydrophobicContact CD1-CD2 4.47Å; L33-L37 HydrophobicContact CD1-CG 3.96Å; L33-L37 HydrophobicContact CG-CD1 3.97Å; L33-L37 HydrophobicContact CG-CG 4.41Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.32Å; L33-L37 PolarHBondContact O-N 3.38Å; L33-L69 HydrophobicContact CD1-CD2 3.93Å; L33-L69 HydrophobicContact CD2-CD1 4.3Å; L33-L69 HydrophobicContact CD2-CD2 4.35Å; L33-L73 HydrophobicContact CD2-CD1 4.16Å |
| 34 | C | 88.8 | Confident | 86.7 | Confident | 22 Ų | 22 | 53.6 Ų | 53.6 | 15% | 0.149 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.5 | -42 | 176.5 | 170.2 | 0 | 0 | 0 | 0 | 111.8 | L30 T31 D38 K96 | L30-C34 WeakPolarHBondContact O-CB 3.45Å; L30-C34 PolarHBondContact O-N 3.06Å; T31-C34 PolarHBondContact O-N 3.48Å; C34-D38 PolarHBondContact O-N 3.11Å; C34-K96 PolarHBondContact O-NZ 3.28Å; C34-K96 PolarHBondContact SG-NZ 3.13Å |
| 35 | N | 87.5 | Confident | 85.5 | Confident | 90 Ų | 90 | 48.9 Ų | 48.9 | 48% | 0.481 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -74.6 | -40.4 | -179.9 | -64 | -0.7 | 0 | 0 | 0 | 112.2 | T31 E32 L33 L37 D38 I39 | T31-N35 PolarHBondContact O-N 3.26Å; T31-N35 PolarHBondContact O-OD1 3.02Å; E32-N35 PolarHBondContact O-N 3.37Å; L33-N35 PolarHBondContact O-N 3.34Å; N35-L37 VanDerWaalsContact C-N 3.27Å; N35-L37 PolarHBondContact O-N 3.19Å; N35-D38 WeakPolarHBondContact O-CB 3.39Å; N35-D38 PolarHBondContact O-N 2.71Å; N35-I39 PolarHBondContact O-N 3.05Å |
| 36 | A | 88.1 | Confident | 84.1 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.4 | -33.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P11 C14 E32 L33 D38 I39 V40 | P11-A36 HydrophobicContact CB-CB 3.83Å; C14-A36 WeakPolarHBondContact SG-CB 3.45Å; E32-A36 PolarHBondContact O-N 3.48Å; L33-A36 PolarHBondContact O-N 3.3Å; A36-D38 VanDerWaalsContact C-N 3.32Å; A36-D38 PolarHBondContact O-N 3.02Å; A36-I39 PolarHBondContact O-N 3.15Å; A36-V40 WeakPolarHBondContact O-CG2 3.11Å; A36-V40 PolarHBondContact O-N 3.3Å; A36-V40 VanDerWaalsContact O-N 3.15Å |
| 37 | L | 88.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.3 | -25.2 | 171.8 | -67.7 | 170.5 | 0 | 0 | 0 | 113.2 | P11 L33 N35 I41 C93 K96 L97 I100 | P11-L37 HydrophobicContact CG-CD2 3.88Å; P11-L37 HydrophobicContact CG-CG 4.4Å; L33-L37 HydrophobicContact CD1-CD1 3.97Å; L33-L37 HydrophobicContact CD1-CD2 4.47Å; L33-L37 HydrophobicContact CD1-CG 3.96Å; L33-L37 HydrophobicContact CG-CD1 3.97Å; L33-L37 HydrophobicContact CG-CG 4.41Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.32Å; L33-L37 PolarHBondContact O-N 3.38Å; N35-L37 VanDerWaalsContact C-N 3.27Å; N35-L37 PolarHBondContact O-N 3.19Å; L37-I41 WeakPolarHBondContact O-CD1 3.43Å; L37-I41 VanDerWaalsContact O-CG1 3.24Å; L37-I41 WeakPolarHBondContact O-CG1 3.47Å; L37-I41 PolarHBondContact O-N 3.24Å; L37-C93 HydrophobicContact CD1-CB 4.12Å; L37-K96 HydrophobicContact CB-CB 4.12Å; L37-K96 HydrophobicContact CB-CD 3.96Å; L37-K96 HydrophobicContact CD1-CB 4.19Å; L37-L97 HydrophobicContact CD1-CG 4.17Å; L37-L97 HydrophobicContact CD2-CD2 3.76Å; L37-L97 HydrophobicContact CD2-CG 4.24Å; L37-I100 HydrophobicContact CD2-CD1 3.69Å |
| 38 | D | 85.5 | Confident | 80.5 | Confident | 67 Ų | 67 | 55.9 Ų | 55.9 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.6 | -40.8 | 169.7 | -71.3 | -47.6 | 0 | 0 | 0 | 111.2 | C34 N35 A36 V40 I41 E42 K96 | C34-D38 PolarHBondContact O-N 3.11Å; N35-D38 WeakPolarHBondContact O-CB 3.39Å; N35-D38 PolarHBondContact O-N 2.71Å; A36-D38 VanDerWaalsContact C-N 3.32Å; A36-D38 PolarHBondContact O-N 3.02Å; D38-V40 PolarHBondContact O-N 3.46Å; D38-I41 PolarHBondContact O-N 2.87Å; D38-E42 WeakPolarHBondContact O-CB 3.47Å; D38-E42 PolarHBondContact O-N 3.36Å; D38-K96 WeakPolarHBondContact OD1-CE 3.37Å; D38-K96 IonicContact OD1-NZ 3.29Å; D38-K96 PolarHBondContact OD1-NZ 2.91Å; D38-K96 IonicContact OD2-NZ 2.92Å; D38-K96 PolarHBondContact OD2-NZ 3.49Å |
| 39 | I | 85.4 | Confident | 78.7 | Confident | 88 Ų | 88 | 57.9 Ų | 57.9 | 45% | 0.451 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 178.4 | -60.8 | 171.7 | 0 | 0 | 0 | 110.2 | N35 A36 I41 E42 E43 | N35-I39 PolarHBondContact O-N 3.05Å; A36-I39 PolarHBondContact O-N 3.15Å; I39-I41 PolarHBondContact O-N 2.86Å; I39-E42 WeakPolarHBondContact O-CB 3.45Å; I39-E42 PolarHBondContact O-N 3.36Å; I39-E42 VanDerWaalsContact O-N 3.16Å; I39-E43 HydrophobicContact CG2-CG 4.4Å; I39-E43 WeakPolarHBondContact CG2-OE1 3.38Å; I39-E43 WeakPolarHBondContact O-CG 3.26Å; I39-E43 PolarHBondContact O-N 2.96Å |
| 40 | V | 84.8 | Confident | 76.7 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 176 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | A36 D38 E42 E43 E44 Y66 I100 | A36-V40 WeakPolarHBondContact O-CG2 3.11Å; A36-V40 PolarHBondContact O-N 3.3Å; A36-V40 VanDerWaalsContact O-N 3.15Å; D38-V40 PolarHBondContact O-N 3.46Å; V40-E42 VanDerWaalsContact C-N 3.32Å; V40-E42 PolarHBondContact O-N 2.98Å; V40-E43 PolarHBondContact O-N 3.28Å; V40-E44 VanDerWaalsContact CG1-OE1 3.26Å; V40-E44 WeakPolarHBondContact CG1-OE1 3.11Å; V40-E44 WeakPolarHBondContact O-CB 3.41Å; V40-E44 VanDerWaalsContact O-CG 3.3Å; V40-E44 WeakPolarHBondContact O-CG 3.34Å; V40-E44 PolarHBondContact O-N 3.25Å; V40-Y66 HydrophobicContact CG1-CE2 4.44Å; V40-I100 HydrophobicContact CB-CD1 4.33Å; V40-I100 HydrophobicContact CG1-CD1 3.81Å; V40-I100 HydrophobicContact CG1-CG1 4.17Å |
| 41 | I | 83.2 | Confident | 74.5 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.4 | -32.5 | 177.9 | -68.9 | 166.2 | 0 | 0 | 0 | 112.1 | L37 D38 I39 G45 K96 K99 I100 | L37-I41 WeakPolarHBondContact O-CD1 3.43Å; L37-I41 VanDerWaalsContact O-CG1 3.24Å; L37-I41 WeakPolarHBondContact O-CG1 3.47Å; L37-I41 PolarHBondContact O-N 3.24Å; D38-I41 PolarHBondContact O-N 2.87Å; I39-I41 PolarHBondContact O-N 2.86Å; I41-G45 PolarHBondContact O-N 2.93Å; I41-K96 HydrophobicContact CD1-CB 3.91Å; I41-K96 HydrophobicContact CD1-CG 3.94Å; I41-K99 HydrophobicContact CD1-CD 4.42Å; I41-K99 HydrophobicContact CG2-CD 4.38Å; I41-I100 HydrophobicContact CD1-CD1 4.35Å; I41-I100 HydrophobicContact CD1-CG1 4.18Å; I41-I100 HydrophobicContact CG1-CD1 4Å; I41-I100 HydrophobicContact CG1-CG1 3.6Å |
| 42 | E | 81.2 | Confident | 72.2 | Confident | 112 Ų | 112 | 71.6 Ų | 71.6 | 52% | 0.523 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -72.4 | -36.6 | 174.2 | -88.5 | -162.4 | -143.3 | 0 | 0 | 113.1 | D38 I39 V40 K46 | D38-E42 WeakPolarHBondContact O-CB 3.47Å; D38-E42 PolarHBondContact O-N 3.36Å; I39-E42 WeakPolarHBondContact O-CB 3.45Å; I39-E42 PolarHBondContact O-N 3.36Å; I39-E42 VanDerWaalsContact O-N 3.16Å; V40-E42 VanDerWaalsContact C-N 3.32Å; V40-E42 PolarHBondContact O-N 2.98Å; E42-K46 VanDerWaalsContact O-CD 3.23Å; E42-K46 WeakPolarHBondContact O-CD 3.3Å; E42-K46 WeakPolarHBondContact O-CE 3.37Å; E42-K46 WeakPolarHBondContact O-CG 3.29Å; E42-K46 PolarHBondContact O-N 2.67Å; E42-K46 VanDerWaalsContact O-N 3.11Å; E42-K46 IonicContact OE2-NZ 2.74Å; E42-K46 PolarHBondContact OE2-NZ 3.02Å |
| 43 | E | 78.3 | Confident | 69.8 | Low | 118 Ų | 118 | 76.5 Ų | 76.5 | 55% | 0.551 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69.2 | -45 | 175.8 | -73.2 | 171 | 171.9 | 0 | 0 | 110.8 | I39 V40 G45 K46 S47 | I39-E43 HydrophobicContact CG2-CG 4.4Å; I39-E43 WeakPolarHBondContact CG2-OE1 3.38Å; I39-E43 WeakPolarHBondContact O-CG 3.26Å; I39-E43 PolarHBondContact O-N 2.96Å; V40-E43 PolarHBondContact O-N 3.28Å; E43-G45 PolarHBondContact O-N 2.84Å; E43-K46 PolarHBondContact O-N 3.33Å; E43-S47 PolarHBondContact O-N 3.32Å; E43-S47 VanDerWaalsContact O-N 3.12Å |
| 44 | E | 68.8 | Low | 67.6 | Low | 40 Ų | 40 | 80.3 Ų | 80.3 | 19% | 0.187 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -52.5 | -54.4 | 169.2 | -76.2 | 165.4 | -170.5 | 0 | 0 | 111.1 | V40 K46 S47 T48 H63 I100 | V40-E44 VanDerWaalsContact CG1-OE1 3.26Å; V40-E44 WeakPolarHBondContact CG1-OE1 3.11Å; V40-E44 WeakPolarHBondContact O-CB 3.41Å; V40-E44 VanDerWaalsContact O-CG 3.3Å; V40-E44 WeakPolarHBondContact O-CG 3.34Å; V40-E44 PolarHBondContact O-N 3.25Å; E44-K46 VanDerWaalsContact C-N 3.35Å; E44-K46 PolarHBondContact O-N 2.92Å; E44-S47 PolarHBondContact O-N 2.74Å; E44-S47 VanDerWaalsContact O-N 3.1Å; E44-S47 PolarHBondContact O-OG 3.25Å; E44-T48 PolarHBondContact O-N 3.23Å; E44-T48 PolarHBondContact O-OG1 3.5Å; E44-H63 IonicContact OE1-CE1 3.81Å; E44-H63 PolarHBondContact OE1-CE1 2.98Å; E44-H63 IonicContact OE1-ND1 3.93Å; E44-H63 PolarHBondContact OE1-ND1 3.4Å; E44-I100 WeakPolarHBondContact OE1-CG2 3.36Å |
| 45 | G | 63.6 | Low | 65.4 | Low | 35 Ų | 35 | 86.1 Ų | 86.1 | 36% | 0.361 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.4 | -41.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | I41 E43 S47 T48 | I41-G45 PolarHBondContact O-N 2.93Å; E43-G45 PolarHBondContact O-N 2.84Å; G45-S47 VanDerWaalsContact C-N 3.32Å; G45-S47 PolarHBondContact O-N 3.2Å; G45-T48 PolarHBondContact O-N 3.39Å; G45-T48 PolarHBondContact O-OG1 2.9Å |
| 46 | K | 60.1 | Low | 63.5 | Low | 126 Ų | 126 | 93 Ų | 93 | 55% | 0.548 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.7 | -28 | 178.5 | -70.1 | 159.7 | -162.5 | 159.6 | 0 | 112.7 | E42 E43 E44 | E42-K46 VanDerWaalsContact O-CD 3.23Å; E42-K46 WeakPolarHBondContact O-CD 3.3Å; E42-K46 WeakPolarHBondContact O-CE 3.37Å; E42-K46 WeakPolarHBondContact O-CG 3.29Å; E42-K46 PolarHBondContact O-N 2.67Å; E42-K46 VanDerWaalsContact O-N 3.11Å; E42-K46 IonicContact OE2-NZ 2.74Å; E42-K46 PolarHBondContact OE2-NZ 3.02Å; E43-K46 PolarHBondContact O-N 3.33Å; E44-K46 VanDerWaalsContact C-N 3.35Å; E44-K46 PolarHBondContact O-N 2.92Å |
| 47 | S | 53.7 | Low | 61.6 | Low | 54 Ų | 54 | 99.8 Ų | 99.8 | 38% | 0.378 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74.2 | -26.8 | 175.3 | 73.4 | 0 | 0 | 0 | 0 | 113.3 | E43 E44 G45 | E43-S47 PolarHBondContact O-N 3.32Å; E43-S47 VanDerWaalsContact O-N 3.12Å; E44-S47 PolarHBondContact O-N 2.74Å; E44-S47 VanDerWaalsContact O-N 3.1Å; E44-S47 PolarHBondContact O-OG 3.25Å; G45-S47 VanDerWaalsContact C-N 3.32Å; G45-S47 PolarHBondContact O-N 3.2Å |
| 48 | T | 50.8 | Low | 59.6 | Low | 93 Ų | 93 | 102.7 Ų | 102.7 | 57% | 0.571 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -14.3 | -178.6 | 37.6 | 0 | 0 | 0 | 0 | 116.4 | E44 G45 | E44-T48 PolarHBondContact O-N 3.23Å; E44-T48 PolarHBondContact O-OG1 3.5Å; G45-T48 PolarHBondContact O-N 3.39Å; G45-T48 PolarHBondContact O-OG1 2.9Å |
| 49 | E | 50.5 | Low | 57.9 | Low | 179 Ų | 179 | 103.8 Ų | 103.8 | 84% | 0.836 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -11 | -177.3 | -67.3 | -166.2 | 149.7 | 0 | 0 | 114.2 | ||
| 50 | T | 50 | Low | 56.2 | Low | 126 Ų | 126 | 101.8 Ų | 101.8 | 77% | 0.773 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -105.6 | -0.6 | -173.2 | 37.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 51 | S | 44.3 | Very low | 54.7 | Low | 82 Ų | 82 | 108.3 Ų | 108.3 | 57% | 0.573 | 58% | 0.584 | S | S | * | * | trans | -120.1 | 107.7 | 176 | 60 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 52 | L | 42.8 | Very low | 53.5 | Low | 167 Ų | 167 | 111.7 Ų | 111.7 | 87% | 0.874 | 60% | 0.602 | S | S | * | * | trans | -80.6 | 141 | 153.9 | -80.4 | 156.3 | 0 | 0 | 0 | 108.5 | ||||
| 53 | D | 39.8 | Very low | 52.7 | Low | 154 Ų | 154 | 107.9 Ų | 107.9 | 82% | 0.824 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 67.5 | 153.9 | 176.6 | -54 | -34.9 | 0 | 0 | 0 | 118.3 | E55 | D53-E55 PolarHBondContact O-N 3.43Š|
| 54 | G | 43.8 | Very low | 52.3 | Low | 80 Ų | 80 | 106.2 Ų | 106.2 | 83% | 0.825 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 91.5 | -95.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | R56 | G54-R56 PolarHBondContact O-N 2.99Š|
| 55 | E | 43.2 | Very low | 52.7 | Low | 145 Ų | 145 | 107.4 Ų | 107.4 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | trans | -103.1 | 93.1 | -147 | -69.2 | -162.5 | -161.7 | 0 | 0 | 115.7 | D53 S58 | D53-E55 PolarHBondContact O-N 3.43Å; E55-S58 WeakPolarHBondContact OE2-CB 3.26Å; E55-S58 PolarHBondContact OE2-OG 3.18Å | ||
| 56 | R | 47.1 | Very low | 53.7 | Low | 234 Ų | 234 | 106.5 Ų | 106.5 | 88% | 0.883 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -103.2 | -2.2 | 167.3 | -78.2 | -171.1 | 172.9 | -171.8 | -2 | 115.5 | G54 | G54-R56 PolarHBondContact O-N 2.99Š|
| 57 | L | 47.8 | Very low | 54.8 | Low | 151 Ų | 151 | 102.2 Ų | 102.2 | 79% | 0.791 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -99.4 | -34.6 | -175 | -74.1 | 163.6 | 0 | 0 | 0 | 113.4 | S60 | L57-S60 PolarHBondContact O-N 2.95Å; L57-S60 PolarHBondContact O-OG 2.88Å |
| 58 | S | 47.9 | Very low | 56.2 | Low | 62 Ų | 62 | 99.7 Ų | 99.7 | 43% | 0.434 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -65.6 | -46.7 | -176 | 40.8 | 0 | 0 | 0 | 0 | 113 | E55 S60 | E55-S58 WeakPolarHBondContact OE2-CB 3.26Å; E55-S58 PolarHBondContact OE2-OG 3.18Å; S58-S60 PolarHBondContact O-N 3.32Å |
| 59 | L | 48.5 | Very low | 57.9 | Low | 90 Ų | 90 | 95.3 Ų | 95.3 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -54.2 | -37.3 | 176.6 | -80.9 | 155.2 | 0 | 0 | 0 | 113.3 | Q61 D62 H63 | L59-Q61 PolarHBondContact O-N 3.06Å; L59-D62 PolarHBondContact O-N 2.84Å; L59-D62 VanDerWaalsContact O-N 3.11Å; L59-H63 PolarHBondContact O-CD2 3.01Å; L59-H63 PolarHBondContact O-NE2 2.68Å |
| 60 | S | 50.7 | Low | 59.7 | Low | 46 Ų | 46 | 86.8 Ų | 86.8 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -57.3 | -26.3 | -170.8 | 71.9 | 0 | 0 | 0 | 0 | 115.1 | L57 S58 | L57-S60 PolarHBondContact O-N 2.95Å; L57-S60 PolarHBondContact O-OG 2.88Å; S58-S60 PolarHBondContact O-N 3.32Å |
| 61 | Q | 51.8 | Low | 61.5 | Low | 151 Ų | 151 | 81.5 Ų | 81.5 | 71% | 0.706 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -70 | -40 | 179.6 | -68.9 | -169.7 | -14.5 | 0 | 0 | 112.5 | L59 H63 T64 | L59-Q61 PolarHBondContact O-N 3.06Å; Q61-H63 VanDerWaalsContact C-N 3.3Å; Q61-H63 PolarHBondContact O-N 2.98Å; Q61-T64 WeakPolarHBondContact O-CB 3.42Å; Q61-T64 PolarHBondContact O-N 3.09Å; Q61-T64 VanDerWaalsContact O-N 3.12Å; Q61-T64 PolarHBondContact O-OG1 3.12Å |
| 62 | D | 58 | Low | 63.6 | Low | 100 Ų | 100 | 78.4 Ų | 78.4 | 54% | 0.535 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -71.2 | -25.2 | -171.4 | -167.8 | 35.5 | 0 | 0 | 0 | 112.6 | L59 T64 K65 | L59-D62 PolarHBondContact O-N 2.84Å; L59-D62 VanDerWaalsContact O-N 3.11Å; D62-T64 VanDerWaalsContact C-N 3.3Å; D62-T64 PolarHBondContact O-N 3.32Å; D62-K65 WeakPolarHBondContact O-CD 3.3Å; D62-K65 WeakPolarHBondContact O-CE 3.37Å; D62-K65 WeakPolarHBondContact O-CG 3.38Å; D62-K65 PolarHBondContact O-NZ 2.77Å; D62-K65 IonicContact OD1-NZ 2.76Å; D62-K65 PolarHBondContact OD1-NZ 3.01Å; D62-K65 IonicContact OD2-NZ 2.71Å; D62-K65 PolarHBondContact OD2-NZ 2.91Å |
| 63 | H | 65.5 | Low | 65.8 | Low | 33 Ų | 33 | 70.5 Ų | 70.5 | 15% | 0.153 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -74.6 | -18.8 | 175 | -51.8 | -83.7 | 0 | 0 | 0 | 112.9 | E44 L59 Q61 K65 Y66 I100 F101 | E44-H63 IonicContact OE1-CE1 3.81Å; E44-H63 PolarHBondContact OE1-CE1 2.98Å; E44-H63 IonicContact OE1-ND1 3.93Å; E44-H63 PolarHBondContact OE1-ND1 3.4Å; L59-H63 PolarHBondContact O-CD2 3.01Å; L59-H63 PolarHBondContact O-NE2 2.68Å; Q61-H63 VanDerWaalsContact C-N 3.3Å; Q61-H63 PolarHBondContact O-N 2.98Å; H63-K65 PolarHBondContact O-N 2.9Å; H63-K65 VanDerWaalsContact O-N 3.11Å; H63-Y66 PolarHBondContact O-N 3.11Å; H63-I100 HydrophobicContact CB-CG2 3.95Å; H63-F101 WeakPolarHBondContact O-CE1 3.43Å |
| 64 | T | 69.3 | Low | 68.1 | Low | 83 Ų | 83 | 63.3 Ų | 63.3 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -63.4 | -19.7 | -178.6 | 65.7 | 0 | 0 | 0 | 0 | 113.7 | Q61 D62 Y66 K67 | Q61-T64 WeakPolarHBondContact O-CB 3.42Å; Q61-T64 PolarHBondContact O-N 3.09Å; Q61-T64 VanDerWaalsContact O-N 3.12Å; Q61-T64 PolarHBondContact O-OG1 3.12Å; D62-T64 VanDerWaalsContact C-N 3.3Å; D62-T64 PolarHBondContact O-N 3.32Å; T64-Y66 PolarHBondContact O-N 3.18Å; T64-Y66 VanDerWaalsContact O-N 3.11Å; T64-K67 WeakPolarHBondContact O-CB 3.47Å; T64-K67 PolarHBondContact O-N 3.11Å |
| 65 | K | 76.7 | Confident | 70.2 | Confident | 65 Ų | 65 | 60.5 Ų | 60.5 | 28% | 0.283 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -52.9 | -29.9 | 172.8 | 67.5 | -162.4 | 163.7 | -159.1 | 0 | 113.7 | I9 D62 H63 | I9-K65 HydrophobicContact CB-CB 4.5Å; I9-K65 HydrophobicContact CD1-CB 3.8Å; I9-K65 HydrophobicContact CG2-CB 4.48Å; I9-K65 HydrophobicContact CG2-CG 4.49Å; D62-K65 WeakPolarHBondContact O-CD 3.3Å; D62-K65 WeakPolarHBondContact O-CE 3.37Å; D62-K65 WeakPolarHBondContact O-CG 3.38Å; D62-K65 PolarHBondContact O-NZ 2.77Å; D62-K65 IonicContact OD1-NZ 2.76Å; D62-K65 PolarHBondContact OD1-NZ 3.01Å; D62-K65 IonicContact OD2-NZ 2.71Å; D62-K65 PolarHBondContact OD2-NZ 2.91Å; H63-K65 PolarHBondContact O-N 2.9Å; H63-K65 VanDerWaalsContact O-N 3.11Å |
| 66 | Y | 85.7 | Confident | 72.2 | Confident | 15 Ų | 15 | 57 Ų | 57 | 6% | 0.059 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -85.3 | 0.5 | 177.8 | -56.8 | -53.8 | 0 | 0 | 0 | 114.4 | I9 P11 V40 H63 T64 G68 L69 F70 L97 | I9-Y66 HydrophobicContact CG2-CE1 4.26Å; P11-Y66 HydrophobicContact CB-CE1 4.41Å; P11-Y66 HydrophobicContact CG-CD1 4.41Å; P11-Y66 HydrophobicContact CG-CE1 3.79Å; V40-Y66 HydrophobicContact CG1-CE2 4.44Å; H63-Y66 PolarHBondContact O-N 3.11Å; T64-Y66 PolarHBondContact O-N 3.18Å; T64-Y66 VanDerWaalsContact O-N 3.11Å; Y66-G68 VanDerWaalsContact C-N 3.29Å; Y66-G68 PolarHBondContact O-N 2.72Å; Y66-L69 WeakPolarHBondContact O-CB 3.27Å; Y66-L69 PolarHBondContact O-N 2.78Å; Y66-L69 VanDerWaalsContact O-N 3.09Å; Y66-F70 PolarHBondContact O-N 2.82Å; Y66-L97 HydrophobicContact CG-CD2 4.45Å |
| 67 | K | 82.6 | Confident | 74.1 | Confident | 37 Ų | 37 | 51.4 Ų | 51.4 | 16% | 0.161 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -35.7 | 179.7 | -172.3 | 173.1 | 167.7 | 141 | 0 | 112.1 | L6 T64 F70 L71 P106 S108 | L6-K67 HydrophobicContact CD1-CB 4.28Å; L6-K67 HydrophobicContact CD1-CD 4Å; L6-K67 HydrophobicContact CD1-CG 3.77Å; L6-K67 HydrophobicContact CD2-CD 4.34Å; T64-K67 WeakPolarHBondContact O-CB 3.47Å; T64-K67 PolarHBondContact O-N 3.11Å; K67-F70 PolarHBondContact O-N 3.44Å; K67-L71 WeakPolarHBondContact O-CG 3.26Å; K67-L71 PolarHBondContact O-N 3.46Å; K67-P106 WeakPolarHBondContact CD-O 3.32Å; K67-P106 WeakPolarHBondContact CE-O 3.19Å; K67-P106 PolarHBondContact NZ-O 3.42Å; K67-S108 PolarHBondContact NZ-O 3.35Å |
| 68 | G | 82.8 | Confident | 76.2 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1 Y66 L71 L72 | M1-G68 WeakPolarHBondContact CE-O 3.44Å; Y66-G68 VanDerWaalsContact C-N 3.29Å; Y66-G68 PolarHBondContact O-N 2.72Å; G68-L71 PolarHBondContact O-N 3.32Å; G68-L72 PolarHBondContact O-N 3.38Å |
| 69 | L | 86.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.1 | -36.4 | 176.1 | 178.4 | 59 | 0 | 0 | 0 | 112.5 | F10 L33 Y66 L72 L73 L97 | F10-L69 HydrophobicContact CD1-CD1 3.88Å; F10-L69 HydrophobicContact CD1-CD2 4.18Å; F10-L69 HydrophobicContact CE1-CD1 3.46Å; F10-L69 VanDerWaalsContact CE1-CD1 3.46Å; F10-L69 HydrophobicContact CZ-CD1 4.05Å; L33-L69 HydrophobicContact CD1-CD2 3.93Å; L33-L69 HydrophobicContact CD2-CD1 4.3Å; L33-L69 HydrophobicContact CD2-CD2 4.35Å; Y66-L69 WeakPolarHBondContact O-CB 3.27Å; Y66-L69 PolarHBondContact O-N 2.78Å; Y66-L69 VanDerWaalsContact O-N 3.09Å; L69-L72 HydrophobicContact CD1-CD2 4.35Å; L69-L72 WeakPolarHBondContact O-CB 3.49Å; L69-L72 PolarHBondContact O-N 2.81Å; L69-L73 PolarHBondContact O-N 3.46Å; L69-L97 HydrophobicContact CG-CD1 4.4Å |
| 70 | F | 89.6 | Confident | 80.2 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | 173.8 | -176.5 | -101 | 0 | 0 | 0 | 111.8 | Y66 K67 L72 L73 G74 I94 L97 L98 F101 P106 L107 I120 | Y66-F70 PolarHBondContact O-N 2.82Å; K67-F70 PolarHBondContact O-N 3.44Å; F70-L72 VanDerWaalsContact C-N 3.25Å; F70-L72 PolarHBondContact O-N 3.16Å; F70-L73 PolarHBondContact O-N 2.7Å; F70-G74 PolarHBondContact O-N 3.47Å; F70-I94 HydrophobicContact CE2-CG2 4.08Å; F70-L97 HydrophobicContact CB-CD1 4.27Å; F70-L97 HydrophobicContact CD2-CB 3.81Å; F70-L97 HydrophobicContact CD2-CD1 4.14Å; F70-L97 HydrophobicContact CE2-CB 4.47Å; F70-L98 HydrophobicContact CE2-CD2 3.71Å; F70-L98 HydrophobicContact CE2-CG 3.86Å; F70-L98 HydrophobicContact CZ-CD2 3.64Å; F70-L98 HydrophobicContact CZ-CG 4.22Å; F70-F101 HydrophobicContact CB-CE2 3.77Å; F70-F101 HydrophobicContact CB-CZ 4.1Å; F70-F101 AromaticContact CD2-CE2 3.9Å; F70-F101 HydrophobicContact CD2-CE2 3.9Å; F70-F101 AromaticContact CG-CE2 3.84Å; F70-F101 HydrophobicContact CG-CE2 3.84Å; F70-P106 HydrophobicContact CD1-CB 3.97Å; F70-P106 HydrophobicContact CD1-CG 3.87Å; F70-P106 HydrophobicContact CE1-CB 4.22Å; F70-P106 HydrophobicContact CE1-CG 3.63Å; F70-P106 HydrophobicContact CE2-CG 4.37Å; F70-P106 HydrophobicContact CG-CB 4.4Å; F70-P106 HydrophobicContact CG-CG 4.34Å; F70-P106 HydrophobicContact CZ-CG 3.9Å; F70-L107 HydrophobicContact CD1-CD2 4.28Å; F70-L107 HydrophobicContact CE1-CD1 4.38Å; F70-L107 HydrophobicContact CE1-CD2 3.84Å; F70-L107 HydrophobicContact CE1-CG 3.92Å; F70-I120 HydrophobicContact CE1-CD1 3.85Å; F70-I120 HydrophobicContact CZ-CD1 3.83Å |
| 71 | L | 86.9 | Confident | 82.2 | Confident | 15 Ų | 15 | 42.9 Ų | 42.9 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.7 | -26.5 | 175 | -70.2 | 172.9 | 0 | 0 | 0 | 113 | M1 I4 L6 K67 G68 S75 L107 L110 L116 | M1-L71 HydrophobicContact CE-CB 3.79Å; I4-L71 HydrophobicContact CG2-CD1 4.37Å; L6-L71 HydrophobicContact CD1-CD1 3.65Å; K67-L71 WeakPolarHBondContact O-CG 3.26Å; K67-L71 PolarHBondContact O-N 3.46Å; G68-L71 PolarHBondContact O-N 3.32Å; L71-S75 PolarHBondContact O-N 2.99Å; L71-L107 HydrophobicContact CD2-CD2 3.7Å; L71-L110 HydrophobicContact CD1-CD1 4.04Å; L71-L110 HydrophobicContact CD2-CD1 3.76Å; L71-L110 HydrophobicContact CG-CD1 4.45Å; L71-L116 HydrophobicContact CD2-CD1 4.1Å |
| 72 | L | 88.4 | Confident | 83.9 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 9% | 0.089 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.8 | -51.9 | 172.7 | -177.2 | 67.5 | 0 | 0 | 0 | 110.6 | M1 L8 F10 I17 G68 L69 F70 G74 S75 F78 | M1-L72 VanDerWaalsContact CE-CA 3.41Å; M1-L72 HydrophobicContact CE-CB 3.77Å; M1-L72 HydrophobicContact CE-CD1 4.31Å; L8-L72 HydrophobicContact CD1-CB 4.31Å; L8-L72 HydrophobicContact CD1-CD1 4.39Å; L8-L72 HydrophobicContact CD1-CD2 4.17Å; L8-L72 HydrophobicContact CD2-CD2 3.96Å; F10-L72 HydrophobicContact CZ-CD2 4.26Å; I17-L72 WeakPolarHBondContact O-CD2 3.13Å; G68-L72 PolarHBondContact O-N 3.38Å; L69-L72 HydrophobicContact CD1-CD2 4.35Å; L69-L72 WeakPolarHBondContact O-CB 3.49Å; L69-L72 PolarHBondContact O-N 2.81Å; F70-L72 VanDerWaalsContact C-N 3.25Å; F70-L72 PolarHBondContact O-N 3.16Å; L72-G74 PolarHBondContact O-N 2.93Å; L72-S75 VanDerWaalsContact O-CB 3.27Å; L72-S75 WeakPolarHBondContact O-CB 3.48Å; L72-S75 PolarHBondContact O-N 2.89Å; L72-F78 HydrophobicContact CD1-CE2 3.83Å; L72-F78 HydrophobicContact CG-CE2 3.88Å; L72-F78 HydrophobicContact CG-CZ 4.43Å; L72-F78 WeakPolarHBondContact O-CD2 3.48Å |
| 73 | L | 89.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.5 | -26.9 | 179.4 | -67.1 | 175.1 | 0 | 0 | 0 | 112.8 | L30 L33 L69 F70 S75 L79 V90 C93 I94 L97 | L30-L73 HydrophobicContact CD2-CD2 3.84Å; L33-L73 HydrophobicContact CD2-CD1 4.16Å; L69-L73 PolarHBondContact O-N 3.46Å; F70-L73 PolarHBondContact O-N 2.7Å; L73-S75 VanDerWaalsContact C-N 3.26Å; L73-S75 PolarHBondContact O-N 2.92Å; L73-L79 WeakPolarHBondContact O-CD2 3.3Å; L73-V90 HydrophobicContact CB-CG1 4.34Å; L73-V90 HydrophobicContact CD2-CG1 4.46Å; L73-V90 HydrophobicContact CD2-CG2 4.42Å; L73-C93 HydrophobicContact CD1-CB 3.66Å; L73-I94 HydrophobicContact CB-CD1 4.35Å; L73-I94 HydrophobicContact CB-CG1 4Å; L73-L97 HydrophobicContact CD1-CD1 3.82Å |
| 74 | G | 87.4 | Confident | 86.7 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -2.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115 | F70 L72 L79 | F70-G74 PolarHBondContact O-N 3.47Å; L72-G74 PolarHBondContact O-N 2.93Å; G74-L79 VanDerWaalsContact O-CD1 3.22Å; G74-L79 WeakPolarHBondContact O-CD1 3.47Å |
| 75 | S | 88.4 | Confident | 87.7 | Confident | 22 Ų | 22 | 36.1 Ų | 36.1 | 15% | 0.154 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -73.3 | 152.8 | 178.3 | 106.5 | 0 | 0 | 0 | 0 | 111.9 | L71 L72 L73 E77 F78 L79 | L71-S75 PolarHBondContact O-N 2.99Å; L72-S75 VanDerWaalsContact O-CB 3.27Å; L72-S75 WeakPolarHBondContact O-CB 3.48Å; L72-S75 PolarHBondContact O-N 2.89Å; L73-S75 VanDerWaalsContact C-N 3.26Å; L73-S75 PolarHBondContact O-N 2.92Å; S75-E77 PolarHBondContact O-N 2.97Å; S75-E77 VanDerWaalsContact O-N 3.13Å; S75-E77 WeakPolarHBondContact OG-CB 3.43Å; S75-E77 PolarHBondContact OG-N 3.27Å; S75-F78 PolarHBondContact O-N 3.29Å; S75-F78 VanDerWaalsContact O-N 3.09Å; S75-L79 WeakPolarHBondContact O-CG 3.39Å; S75-L79 PolarHBondContact O-N 3.22Å |
| 76 | P | 85.8 | Confident | 88.4 | Confident | 70 Ų | 70 | 33 Ų | 33 | 46% | 0.455 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.6 | -24.2 | 179.3 | 25 | -34.8 | 0 | 0 | 0 | 113.3 | F78 K80 | P76-F78 VanDerWaalsContact C-N 3.26Å; P76-F78 PolarHBondContact O-N 3.22Å; P76-K80 HydrophobicContact CB-CD 4.03Å; P76-K80 WeakPolarHBondContact O-CA 2.94Å; P76-K80 VanDerWaalsContact O-CB 3.31Å; P76-K80 WeakPolarHBondContact O-CB 3.32Å; P76-K80 PolarHBondContact O-N 3.31Å |
| 77 | E | 86.6 | Confident | 88.8 | Confident | 117 Ų | 117 | 33.6 Ų | 33.6 | 55% | 0.547 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.8 | -37.5 | 176 | -61.6 | 166.9 | -161.7 | 0 | 0 | 111.9 | S75 H81 | S75-E77 PolarHBondContact O-N 2.97Å; S75-E77 VanDerWaalsContact O-N 3.13Å; S75-E77 WeakPolarHBondContact OG-CB 3.43Å; S75-E77 PolarHBondContact OG-N 3.27Å; E77-H81 WeakPolarHBondContact O-CB 3.38Å |
| 78 | F | 90.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -95.1 | -43.4 | -179.3 | -62.7 | -79.8 | 0 | 0 | 0 | 112 | I17 L26 L72 S75 P76 H81 V90 | I17-F78 HydrophobicContact CG2-CE1 3.66Å; I17-F78 HydrophobicContact CG2-CZ 3.92Å; L26-F78 HydrophobicContact CD1-CE1 4.01Å; L72-F78 HydrophobicContact CD1-CE2 3.83Å; L72-F78 HydrophobicContact CG-CE2 3.88Å; L72-F78 HydrophobicContact CG-CZ 4.43Å; L72-F78 WeakPolarHBondContact O-CD2 3.48Å; S75-F78 PolarHBondContact O-N 3.29Å; S75-F78 VanDerWaalsContact O-N 3.09Å; P76-F78 VanDerWaalsContact C-N 3.26Å; P76-F78 PolarHBondContact O-N 3.22Å; F78-H81 WeakPolarHBondContact O-CB 3.18Å; F78-H81 PolarHBondContact O-N 3.26Å; F78-V90 HydrophobicContact CB-CG1 4.06Å; F78-V90 HydrophobicContact CB-CG2 4.02Å; F78-V90 HydrophobicContact CD1-CG2 4.29Å |
| 79 | L | 91.2 | Very high | 89.8 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.1 | -41.2 | 179.4 | -62.1 | -170.1 | 0 | 0 | 0 | 112.2 | L73 G74 S75 Q87 V90 I94 E119 I120 F123 | L73-L79 WeakPolarHBondContact O-CD2 3.3Å; G74-L79 VanDerWaalsContact O-CD1 3.22Å; G74-L79 WeakPolarHBondContact O-CD1 3.47Å; S75-L79 WeakPolarHBondContact O-CG 3.39Å; S75-L79 PolarHBondContact O-N 3.22Å; L79-Q87 PolarHBondContact O-NE2 2.56Å; L79-V90 HydrophobicContact CD2-CG1 4.29Å; L79-I94 HydrophobicContact CD2-CD1 3.61Å; L79-E119 HydrophobicContact CD1-CB 4.35Å; L79-I120 HydrophobicContact CD1-CG1 4.25Å; L79-F123 HydrophobicContact CB-CD2 4.05Å; L79-F123 HydrophobicContact CB-CE2 4.35Å; L79-F123 HydrophobicContact CB-CG 4.42Å; L79-F123 HydrophobicContact CD2-CB 4.31Å; L79-F123 HydrophobicContact CD2-CD1 3.61Å; L79-F123 HydrophobicContact CD2-CD2 4.01Å; L79-F123 HydrophobicContact CD2-CE1 3.74Å; L79-F123 HydrophobicContact CD2-CE2 4.15Å; L79-F123 HydrophobicContact CD2-CG 3.72Å; L79-F123 HydrophobicContact CD2-CZ 4Å; L79-F123 WeakPolarHBondContact O-CD2 3.36Å; L79-F123 WeakPolarHBondContact O-CE2 3.29Å |
| 80 | K | 89.6 | Confident | 90.1 | Very high | 125 Ų | 125 | 34.6 Ų | 34.6 | 54% | 0.543 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 17.7 | -176.9 | -61.7 | 158.6 | -176.7 | 153.5 | 0 | 112.1 | P76 E119 | P76-K80 HydrophobicContact CB-CD 4.03Å; P76-K80 WeakPolarHBondContact O-CA 2.94Å; P76-K80 VanDerWaalsContact O-CB 3.31Å; P76-K80 WeakPolarHBondContact O-CB 3.32Å; P76-K80 PolarHBondContact O-N 3.31Å; K80-E119 VanDerWaalsContact NZ-CD 3.26Å; K80-E119 IonicContact NZ-OE1 3.51Å; K80-E119 PolarHBondContact NZ-OE1 3.49Å; K80-E119 IonicContact NZ-OE2 2.63Å; K80-E119 PolarHBondContact NZ-OE2 3Å; K80-E119 VanDerWaalsContact NZ-OE2 3.11Å |
| 81 | H | 92.1 | Very high | 90.3 | Very high | 38 Ų | 38 | 34.6 Ų | 34.6 | 18% | 0.176 | 18% | 0.183 | C | C | . | . | trans | -59.8 | 132.9 | -179.7 | -172.6 | -96.3 | 0 | 0 | 0 | 113 | E77 F78 D83 I86 Q87 | E77-H81 WeakPolarHBondContact O-CB 3.38Å; F78-H81 WeakPolarHBondContact O-CB 3.18Å; F78-H81 PolarHBondContact O-N 3.26Å; H81-D83 VanDerWaalsContact CE1-CB 3.45Å; H81-D83 WeakPolarHBondContact CE1-CB 3.49Å; H81-D83 PolarHBondContact ND1-N 2.62Å; H81-D83 VanDerWaalsContact ND1-N 3.19Å; H81-D83 PolarHBondContact O-N 2.95Å; H81-I86 HydrophobicContact CB-CG2 4.32Å; H81-I86 WeakPolarHBondContact CE1-CD1 3.4Å; H81-I86 WeakPolarHBondContact ND1-CG2 3.34Å; H81-Q87 HydrophobicContact CB-CG 4.2Å; H81-Q87 WeakPolarHBondContact O-CG 3.43Å; H81-Q87 PolarHBondContact O-NE2 3.24Å | ||
| 82 | A | 88.5 | Confident | 90.6 | Very high | 99 Ų | 99 | 34.3 Ų | 34.3 | 82% | 0.818 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -67.9 | -8.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 83 | D | 91.2 | Very high | 90.8 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 14% | 0.139 | 18% | 0.177 | C | C | . | . | trans | -104.7 | 114.6 | 175 | -175.2 | -15.3 | 0 | 0 | 0 | 110.7 | R27 H81 D85 I86 Q87 | R27-D83 IonicContact CZ-OD1 2.62Å; R27-D83 IonicContact CZ-OD2 2.67Å; R27-D83 VanDerWaalsContact CZ-OD2 3.28Å; R27-D83 IonicContact NE-OD2 3.54Å; R27-D83 PolarHBondContact NE-OD2 2.83Å; R27-D83 VanDerWaalsContact NH2-CG 3.27Å; R27-D83 IonicContact NH2-OD1 2.66Å; R27-D83 PolarHBondContact NH2-OD1 2.77Å; R27-D83 IonicContact NH2-OD2 2.89Å; R27-D83 PolarHBondContact NH2-OD2 3.49Å; H81-D83 VanDerWaalsContact CE1-CB 3.45Å; H81-D83 WeakPolarHBondContact CE1-CB 3.49Å; H81-D83 PolarHBondContact ND1-N 2.62Å; H81-D83 VanDerWaalsContact ND1-N 3.19Å; H81-D83 PolarHBondContact O-N 2.95Å; D83-D85 VanDerWaalsContact C-N 3.26Å; D83-D85 PolarHBondContact O-N 3.23Å; D83-D85 WeakPolarHBondContact OD1-CB 2.99Å; D83-D85 PolarHBondContact OD1-N 3Å; D83-I86 HydrophobicContact CB-CB 4.28Å; D83-I86 HydrophobicContact CB-CD1 4Å; D83-I86 HydrophobicContact CB-CG1 4.38Å; D83-I86 WeakPolarHBondContact O-CB 3.17Å; D83-I86 PolarHBondContact O-N 3.01Å; D83-I86 VanDerWaalsContact O-N 3.15Å; D83-Q87 PolarHBondContact O-N 2.71Å; D83-Q87 VanDerWaalsContact O-N 3.11Å | ||
| 84 | R | 90.1 | Very high | 91 | Very high | 75 Ų | 75 | 33.5 Ų | 33.5 | 28% | 0.283 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.1 | -26.5 | -177.9 | -162.7 | 57.9 | 169 | 177.2 | -2.5 | 113 | I86 L88 D126 L130 | R84-I86 VanDerWaalsContact C-N 3.29Å; R84-I86 PolarHBondContact O-N 3.01Å; R84-L88 HydrophobicContact CG-CD1 4.24Å; R84-L88 HydrophobicContact CG-CG 4.47Å; R84-L88 WeakPolarHBondContact O-CB 3.08Å; R84-L88 WeakPolarHBondContact O-CD1 3.34Å; R84-L88 WeakPolarHBondContact O-CG 3.18Å; R84-L88 PolarHBondContact O-N 3.38Å; R84-D126 VanDerWaalsContact NH2-C 3.27Å; R84-D126 PolarHBondContact NH2-O 3.07Å; R84-L130 HydrophobicContact CG-CD1 4.16Å; R84-L130 VanDerWaalsContact NE-CD1 3.34Å |
| 85 | D | 90.1 | Very high | 91.3 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 13% | 0.134 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.5 | -32.6 | 176.8 | -169.7 | 72.4 | 0 | 0 | 0 | 112 | R27 D83 R89 K144 | R27-D85 IonicContact CZ-OD2 3.11Å; R27-D85 IonicContact NE-OD2 3.28Å; R27-D85 IonicContact NH1-OD2 2.69Å; D83-D85 VanDerWaalsContact C-N 3.26Å; D83-D85 PolarHBondContact O-N 3.23Å; D83-D85 WeakPolarHBondContact OD1-CB 2.99Å; D83-D85 PolarHBondContact OD1-N 3Å; D85-R89 WeakPolarHBondContact O-CG 3.48Å; D85-R89 PolarHBondContact O-N 3.34Å; D85-R89 IonicContact OD1-NH2 3.26Å; D85-R89 IonicContact OD2-CZ 3.97Å; D85-R89 IonicContact OD2-NE 3.67Å; D85-R89 PolarHBondContact OD2-NE 3.04Å; D85-R89 IonicContact OD2-NH2 3.05Å; D85-R89 PolarHBondContact OD2-NH2 2.94Å; D85-K144 PolarHBondContact O-NZ 3.18Å; D85-K144 IonicContact OD1-NZ 2.96Å; D85-K144 PolarHBondContact OD1-NZ 3.24Å; D85-K144 IonicContact OD2-NZ 3.02Å; D85-K144 PolarHBondContact OD2-NZ 3.15Å |
| 86 | I | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -73.9 | -49.6 | 174.9 | -75.3 | 165.5 | 0 | 0 | 0 | 110 | K23 L26 R27 L30 H81 D83 R84 L88 R89 V90 | K23-I86 HydrophobicContact CB-CD1 4.03Å; K23-I86 HydrophobicContact CG-CD1 4.29Å; L26-I86 HydrophobicContact CB-CD1 4.39Å; L26-I86 HydrophobicContact CD2-CD1 4.04Å; L26-I86 HydrophobicContact CD2-CG2 4.02Å; L26-I86 HydrophobicContact CG-CD1 4.18Å; L26-I86 HydrophobicContact CG-CG1 4.49Å; L26-I86 HydrophobicContact CG-CG2 4.27Å; R27-I86 HydrophobicContact CG-CD1 3.93Å; R27-I86 HydrophobicContact CG-CG1 3.51Å; L30-I86 HydrophobicContact CD1-CG2 3.87Å; H81-I86 HydrophobicContact CB-CG2 4.32Å; H81-I86 WeakPolarHBondContact CE1-CD1 3.4Å; H81-I86 WeakPolarHBondContact ND1-CG2 3.34Å; D83-I86 HydrophobicContact CB-CB 4.28Å; D83-I86 HydrophobicContact CB-CD1 4Å; D83-I86 HydrophobicContact CB-CG1 4.38Å; D83-I86 WeakPolarHBondContact O-CB 3.17Å; D83-I86 PolarHBondContact O-N 3.01Å; D83-I86 VanDerWaalsContact O-N 3.15Å; R84-I86 VanDerWaalsContact C-N 3.29Å; R84-I86 PolarHBondContact O-N 3.01Å; I86-L88 PolarHBondContact O-N 3.1Å; I86-R89 WeakPolarHBondContact O-CA 3.36Å; I86-R89 PolarHBondContact O-N 3.43Å; I86-V90 HydrophobicContact CG2-CG2 4.31Å; I86-V90 WeakPolarHBondContact O-CG2 3.4Å; I86-V90 PolarHBondContact O-N 2.7Å |
| 87 | Q | 93.7 | Very high | 91.7 | Very high | 27 Ų | 27 | 29.2 Ų | 29.2 | 13% | 0.126 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -52.4 | -42.9 | 173.9 | -71.5 | -179.8 | -46.2 | 0 | 0 | 111.5 | L79 H81 D83 R89 V90 G91 F123 | L79-Q87 PolarHBondContact O-NE2 2.56Å; H81-Q87 HydrophobicContact CB-CG 4.2Å; H81-Q87 WeakPolarHBondContact O-CG 3.43Å; H81-Q87 PolarHBondContact O-NE2 3.24Å; D83-Q87 PolarHBondContact O-N 2.71Å; D83-Q87 VanDerWaalsContact O-N 3.11Å; Q87-R89 VanDerWaalsContact C-N 3.33Å; Q87-R89 PolarHBondContact O-N 2.63Å; Q87-V90 PolarHBondContact O-N 2.86Å; Q87-G91 PolarHBondContact O-N 2.86Å; Q87-F123 HydrophobicContact CB-CE2 3.96Å; Q87-F123 HydrophobicContact CB-CZ 4.18Å; Q87-F123 HydrophobicContact CG-CE2 4.13Å; Q87-F123 WeakPolarHBondContact O-CZ 3.25Å |
| 88 | L | 93.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.8 | -25.3 | 177.5 | -69 | 166.5 | 0 | 0 | 0 | 114 | R84 I86 V92 C127 L130 V141 K144 L145 M148 | R84-L88 HydrophobicContact CG-CD1 4.24Å; R84-L88 HydrophobicContact CG-CG 4.47Å; R84-L88 WeakPolarHBondContact O-CB 3.08Å; R84-L88 WeakPolarHBondContact O-CD1 3.34Å; R84-L88 WeakPolarHBondContact O-CG 3.18Å; R84-L88 PolarHBondContact O-N 3.38Å; I86-L88 PolarHBondContact O-N 3.1Å; L88-V92 WeakPolarHBondContact O-CG2 3.41Å; L88-V92 PolarHBondContact O-N 3.49Å; L88-C127 HydrophobicContact CD2-CB 4.34Å; L88-L130 HydrophobicContact CD2-CD1 4.47Å; L88-V141 HydrophobicContact CD1-CB 4.26Å; L88-V141 HydrophobicContact CD1-CG1 3.7Å; L88-V141 HydrophobicContact CD1-CG2 3.87Å; L88-K144 HydrophobicContact CB-CB 4.3Å; L88-K144 HydrophobicContact CB-CD 3.57Å; L88-L145 HydrophobicContact CD2-CD2 3.42Å; L88-L145 VanDerWaalsContact CD2-CD2 3.42Å; L88-L145 HydrophobicContact CD2-CG 4.16Å; L88-M148 HydrophobicContact CD2-SD 4.49Å |
| 89 | R | 93.1 | Very high | 91.7 | Very high | 59 Ų | 59 | 26.6 Ų | 26.6 | 22% | 0.223 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -77.3 | -42.4 | 171.4 | -68.7 | 171.1 | -158.9 | -83.9 | -8 | 111.1 | L30 T31 D85 I86 Q87 G91 V92 C93 K144 | L30-R89 HydrophobicContact CB-CB 3.9Å; L30-R89 HydrophobicContact CD1-CB 4.16Å; T31-R89 PolarHBondContact OG1-NH1 3.46Å; D85-R89 WeakPolarHBondContact O-CG 3.48Å; D85-R89 PolarHBondContact O-N 3.34Å; D85-R89 IonicContact OD1-NH2 3.26Å; D85-R89 IonicContact OD2-CZ 3.97Å; D85-R89 IonicContact OD2-NE 3.67Å; D85-R89 PolarHBondContact OD2-NE 3.04Å; D85-R89 IonicContact OD2-NH2 3.05Å; D85-R89 PolarHBondContact OD2-NH2 2.94Å; I86-R89 WeakPolarHBondContact O-CA 3.36Å; I86-R89 PolarHBondContact O-N 3.43Å; Q87-R89 VanDerWaalsContact C-N 3.33Å; Q87-R89 PolarHBondContact O-N 2.63Å; R89-G91 VanDerWaalsContact C-N 3.31Å; R89-G91 PolarHBondContact O-N 3.46Å; R89-V92 PolarHBondContact O-N 2.79Å; R89-C93 PolarHBondContact O-N 3.2Å; R89-C93 PolarHBondContact O-SG 3.16Å; R89-K144 HydrophobicContact CG-CD 4.47Å |
| 90 | V | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.6 | -47.3 | 171.9 | 171.8 | 0 | 0 | 0 | 0 | 109.9 | L30 L73 F78 L79 I86 Q87 V92 C93 I94 F123 | L30-V90 HydrophobicContact CD1-CG2 3.86Å; L30-V90 HydrophobicContact CD2-CG2 4.08Å; L73-V90 HydrophobicContact CB-CG1 4.34Å; L73-V90 HydrophobicContact CD2-CG1 4.46Å; L73-V90 HydrophobicContact CD2-CG2 4.42Å; F78-V90 HydrophobicContact CB-CG1 4.06Å; F78-V90 HydrophobicContact CB-CG2 4.02Å; F78-V90 HydrophobicContact CD1-CG2 4.29Å; L79-V90 HydrophobicContact CD2-CG1 4.29Å; I86-V90 HydrophobicContact CG2-CG2 4.31Å; I86-V90 WeakPolarHBondContact O-CG2 3.4Å; I86-V90 PolarHBondContact O-N 2.7Å; Q87-V90 PolarHBondContact O-N 2.86Å; V90-V92 PolarHBondContact O-N 3.01Å; V90-C93 PolarHBondContact O-N 3.21Å; V90-C93 VanDerWaalsContact O-N 3.16Å; V90-I94 HydrophobicContact CG1-CD1 3.73Å; V90-I94 HydrophobicContact CG1-CG1 4.35Å; V90-I94 WeakPolarHBondContact O-CB 3.37Å; V90-I94 WeakPolarHBondContact O-CG1 3.48Å; V90-I94 PolarHBondContact O-N 3.43Å; V90-F123 HydrophobicContact CB-CZ 4.36Å; V90-F123 HydrophobicContact CG1-CE1 4.31Å; V90-F123 HydrophobicContact CG1-CZ 4.11Å |
| 91 | G | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.4 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q87 R89 I94 C95 | Q87-G91 PolarHBondContact O-N 2.86Å; R89-G91 VanDerWaalsContact C-N 3.31Å; R89-G91 PolarHBondContact O-N 3.46Å; G91-I94 PolarHBondContact O-N 2.97Å; G91-C95 PolarHBondContact O-N 3.32Å; G91-C95 PolarHBondContact O-SG 3.2Å |
| 92 | V | 93.8 | Very high | 90.8 | Very high | 9 Ų | 9 | 22.7 Ų | 22.7 | 6% | 0.055 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.1 | -40.5 | 173.8 | 171 | 0 | 0 | 0 | 0 | 111.6 | L88 R89 V90 C95 K96 K144 T147 M148 | L88-V92 WeakPolarHBondContact O-CG2 3.41Å; L88-V92 PolarHBondContact O-N 3.49Å; R89-V92 PolarHBondContact O-N 2.79Å; V90-V92 PolarHBondContact O-N 3.01Å; V92-C95 PolarHBondContact O-N 2.87Å; V92-K96 HydrophobicContact CG1-CD 4.16Å; V92-K96 WeakPolarHBondContact O-CB 3.18Å; V92-K96 WeakPolarHBondContact O-CG 3.42Å; V92-K96 PolarHBondContact O-N 2.93Å; V92-K144 HydrophobicContact CG2-CB 3.85Å; V92-K144 HydrophobicContact CG2-CG 4.37Å; V92-T147 HydrophobicContact CG1-CG2 4.41Å; V92-M148 HydrophobicContact CG2-CG 3.83Å; V92-M148 HydrophobicContact CG2-SD 4.4Å |
| 93 | C | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.6 | -40.3 | 176.7 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | L37 L73 R89 V90 K96 L97 | L37-C93 HydrophobicContact CD1-CB 4.12Å; L73-C93 HydrophobicContact CD1-CB 3.66Å; R89-C93 PolarHBondContact O-N 3.2Å; R89-C93 PolarHBondContact O-SG 3.16Å; V90-C93 PolarHBondContact O-N 3.21Å; V90-C93 VanDerWaalsContact O-N 3.16Å; C93-K96 PolarHBondContact O-N 3.43Å; C93-L97 WeakPolarHBondContact O-CB 3.11Å; C93-L97 WeakPolarHBondContact O-CG 3.27Å; C93-L97 PolarHBondContact O-N 3.06Å |
| 94 | I | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.8 | -49.5 | 173.3 | -73.8 | 173 | 0 | 0 | 0 | 110.4 | F70 L73 L79 V90 G91 K96 L97 L98 I120 F123 L124 | F70-I94 HydrophobicContact CE2-CG2 4.08Å; L73-I94 HydrophobicContact CB-CD1 4.35Å; L73-I94 HydrophobicContact CB-CG1 4Å; L79-I94 HydrophobicContact CD2-CD1 3.61Å; V90-I94 HydrophobicContact CG1-CD1 3.73Å; V90-I94 HydrophobicContact CG1-CG1 4.35Å; V90-I94 WeakPolarHBondContact O-CB 3.37Å; V90-I94 WeakPolarHBondContact O-CG1 3.48Å; V90-I94 PolarHBondContact O-N 3.43Å; G91-I94 PolarHBondContact O-N 2.97Å; I94-K96 VanDerWaalsContact C-N 3.31Å; I94-K96 PolarHBondContact O-N 3.39Å; I94-L97 PolarHBondContact O-N 3.36Å; I94-L98 HydrophobicContact CG2-CD1 4.06Å; I94-L98 HydrophobicContact CG2-CG 4.44Å; I94-L98 WeakPolarHBondContact O-CB 3.16Å; I94-L98 VanDerWaalsContact O-CG 3.32Å; I94-L98 WeakPolarHBondContact O-CG 3.34Å; I94-L98 PolarHBondContact O-N 2.86Å; I94-I120 HydrophobicContact CG2-CG2 4.14Å; I94-F123 HydrophobicContact CD1-CD1 4.39Å; I94-F123 HydrophobicContact CD1-CE1 4.07Å; I94-L124 HydrophobicContact CG2-CD2 4.37Å |
| 95 | C | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.2 | -41.3 | 177 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | G91 V92 L98 K99 I151 | G91-C95 PolarHBondContact O-N 3.32Å; G91-C95 PolarHBondContact O-SG 3.2Å; V92-C95 PolarHBondContact O-N 2.87Å; C95-L98 PolarHBondContact O-N 3.44Å; C95-K99 PolarHBondContact O-N 3.29Å; C95-I151 HydrophobicContact CB-CB 4.16Å; C95-I151 HydrophobicContact CB-CD1 4.19Å; C95-I151 HydrophobicContact CB-CG2 4.01Å; C95-I151 WeakPolarHBondContact O-CG2 3.47Å |
| 96 | K | 91.5 | Very high | 88.2 | Confident | 5 Ų | 5 | 23.6 Ų | 23.6 | 2% | 0.022 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.5 | -44.4 | 176.8 | -76.8 | 176.5 | 171.4 | -177.9 | 0 | 112.7 | C34 L37 D38 I41 V92 C93 I94 K99 I100 I151 | C34-K96 PolarHBondContact O-NZ 3.28Å; C34-K96 PolarHBondContact SG-NZ 3.13Å; L37-K96 HydrophobicContact CB-CB 4.12Å; L37-K96 HydrophobicContact CB-CD 3.96Å; L37-K96 HydrophobicContact CD1-CB 4.19Å; D38-K96 WeakPolarHBondContact OD1-CE 3.37Å; D38-K96 IonicContact OD1-NZ 3.29Å; D38-K96 PolarHBondContact OD1-NZ 2.91Å; D38-K96 IonicContact OD2-NZ 2.92Å; D38-K96 PolarHBondContact OD2-NZ 3.49Å; I41-K96 HydrophobicContact CD1-CB 3.91Å; I41-K96 HydrophobicContact CD1-CG 3.94Å; V92-K96 HydrophobicContact CG1-CD 4.16Å; V92-K96 WeakPolarHBondContact O-CB 3.18Å; V92-K96 WeakPolarHBondContact O-CG 3.42Å; V92-K96 PolarHBondContact O-N 2.93Å; C93-K96 PolarHBondContact O-N 3.43Å; I94-K96 VanDerWaalsContact C-N 3.31Å; I94-K96 PolarHBondContact O-N 3.39Å; K96-K99 WeakPolarHBondContact O-CB 3.3Å; K96-K99 PolarHBondContact O-N 3.36Å; K96-K99 VanDerWaalsContact O-N 3.13Å; K96-I100 WeakPolarHBondContact O-CG1 3.31Å; K96-I100 PolarHBondContact O-N 2.86Å; K96-I151 HydrophobicContact CG-CD1 4.1Å |
| 97 | L | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 173.9 | -74.7 | 168.7 | 0 | 0 | 0 | 111.4 | L37 Y66 L69 F70 L73 C93 I94 K99 I100 F101 | L37-L97 HydrophobicContact CD1-CG 4.17Å; L37-L97 HydrophobicContact CD2-CD2 3.76Å; L37-L97 HydrophobicContact CD2-CG 4.24Å; Y66-L97 HydrophobicContact CG-CD2 4.45Å; L69-L97 HydrophobicContact CG-CD1 4.4Å; F70-L97 HydrophobicContact CB-CD1 4.27Å; F70-L97 HydrophobicContact CD2-CB 3.81Å; F70-L97 HydrophobicContact CD2-CD1 4.14Å; F70-L97 HydrophobicContact CE2-CB 4.47Å; L73-L97 HydrophobicContact CD1-CD1 3.82Å; C93-L97 WeakPolarHBondContact O-CB 3.11Å; C93-L97 WeakPolarHBondContact O-CG 3.27Å; C93-L97 PolarHBondContact O-N 3.06Å; I94-L97 PolarHBondContact O-N 3.36Å; L97-K99 PolarHBondContact O-N 2.87Å; L97-I100 HydrophobicContact CD2-CD1 4.5Å; L97-I100 WeakPolarHBondContact O-CB 3.14Å; L97-I100 PolarHBondContact O-N 3.13Å; L97-I100 VanDerWaalsContact O-N 3.13Å; L97-F101 HydrophobicContact CB-CD2 4.36Å; L97-F101 HydrophobicContact CB-CE2 3.94Å; L97-F101 HydrophobicContact CD2-CE2 4.45Å; L97-F101 WeakPolarHBondContact O-CD2 3.41Å; L97-F101 WeakPolarHBondContact O-CG 3.29Å; L97-F101 PolarHBondContact O-N 3.11Å |
| 98 | L | 90.1 | Very high | 87 | Confident | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.2 | -35.1 | 173 | -70.6 | 174.8 | 0 | 0 | 0 | 112.5 | F70 I94 C95 C102 P106 L124 I155 V157 W160 | F70-L98 HydrophobicContact CE2-CD2 3.71Å; F70-L98 HydrophobicContact CE2-CG 3.86Å; F70-L98 HydrophobicContact CZ-CD2 3.64Å; F70-L98 HydrophobicContact CZ-CG 4.22Å; I94-L98 HydrophobicContact CG2-CD1 4.06Å; I94-L98 HydrophobicContact CG2-CG 4.44Å; I94-L98 WeakPolarHBondContact O-CB 3.16Å; I94-L98 VanDerWaalsContact O-CG 3.32Å; I94-L98 WeakPolarHBondContact O-CG 3.34Å; I94-L98 PolarHBondContact O-N 2.86Å; C95-L98 PolarHBondContact O-N 3.44Å; L98-C102 WeakPolarHBondContact O-CB 3.23Å; L98-C102 PolarHBondContact O-N 2.91Å; L98-C102 VanDerWaalsContact O-N 3.08Å; L98-P106 HydrophobicContact CD2-CG 4.05Å; L98-L124 HydrophobicContact CD1-CD1 4.2Å; L98-I155 HydrophobicContact CB-CD1 3.7Å; L98-V157 HydrophobicContact CD1-CG1 4.11Å; L98-V157 HydrophobicContact CD1-CG2 4.04Å; L98-W160 HydrophobicContact CD2-CH2 3.43Å; L98-W160 VanDerWaalsContact CD2-CH2 3.43Å; L98-W160 HydrophobicContact CD2-CZ2 4.18Å; L98-W160 HydrophobicContact CD2-CZ3 4.09Å |
| 99 | K | 88.8 | Confident | 86 | Confident | 59 Ų | 59 | 29 Ų | 29 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -69.2 | -39.3 | 174.9 | -178.6 | 167.7 | 174.6 | 169 | 0 | 112.7 | I41 C95 K96 L97 C102 I151 I155 | I41-K99 HydrophobicContact CD1-CD 4.42Å; I41-K99 HydrophobicContact CG2-CD 4.38Å; C95-K99 PolarHBondContact O-N 3.29Å; K96-K99 WeakPolarHBondContact O-CB 3.3Å; K96-K99 PolarHBondContact O-N 3.36Å; K96-K99 VanDerWaalsContact O-N 3.13Å; L97-K99 PolarHBondContact O-N 2.87Å; K99-C102 WeakPolarHBondContact O-CB 3.33Å; K99-C102 PolarHBondContact O-N 3.4Å; K99-I151 HydrophobicContact CB-CG2 3.99Å; K99-I151 HydrophobicContact CD-CG2 4.36Å; K99-I155 HydrophobicContact CB-CD1 4.48Å; K99-I155 HydrophobicContact CG-CG2 4.4Å |
| 100 | I | 86.5 | Confident | 85.5 | Confident | 9 Ų | 9 | 27.6 Ų | 27.6 | 5% | 0.046 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.8 | -40.8 | 174 | -71.6 | 162.6 | 0 | 0 | 0 | 111.4 | L37 V40 I41 E44 H63 K96 L97 | L37-I100 HydrophobicContact CD2-CD1 3.69Å; V40-I100 HydrophobicContact CB-CD1 4.33Å; V40-I100 HydrophobicContact CG1-CD1 3.81Å; V40-I100 HydrophobicContact CG1-CG1 4.17Å; I41-I100 HydrophobicContact CD1-CD1 4.35Å; I41-I100 HydrophobicContact CD1-CG1 4.18Å; I41-I100 HydrophobicContact CG1-CD1 4Å; I41-I100 HydrophobicContact CG1-CG1 3.6Å; E44-I100 WeakPolarHBondContact OE1-CG2 3.36Å; H63-I100 HydrophobicContact CB-CG2 3.95Å; K96-I100 WeakPolarHBondContact O-CG1 3.31Å; K96-I100 PolarHBondContact O-N 2.86Å; L97-I100 HydrophobicContact CD2-CD1 4.5Å; L97-I100 WeakPolarHBondContact O-CB 3.14Å; L97-I100 PolarHBondContact O-N 3.13Å; L97-I100 VanDerWaalsContact O-N 3.13Å |
| 101 | F | 86 | Confident | 84.6 | Confident | 16 Ų | 16 | 34 Ų | 34 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.2 | -23.5 | 178.8 | -63.1 | -59.3 | 0 | 0 | 0 | 113.7 | H63 F70 L97 C104 P106 | H63-F101 WeakPolarHBondContact O-CE1 3.43Å; F70-F101 HydrophobicContact CB-CE2 3.77Å; F70-F101 HydrophobicContact CB-CZ 4.1Å; F70-F101 AromaticContact CD2-CE2 3.9Å; F70-F101 HydrophobicContact CD2-CE2 3.9Å; F70-F101 AromaticContact CG-CE2 3.84Å; F70-F101 HydrophobicContact CG-CE2 3.84Å; L97-F101 HydrophobicContact CB-CD2 4.36Å; L97-F101 HydrophobicContact CB-CE2 3.94Å; L97-F101 HydrophobicContact CD2-CE2 4.45Å; L97-F101 WeakPolarHBondContact O-CD2 3.41Å; L97-F101 WeakPolarHBondContact O-CG 3.29Å; L97-F101 PolarHBondContact O-N 3.11Å; F101-C104 CarbonylContact C-O 3.59Å; F101-C104 WeakPolarHBondContact O-CA 3.36Å; F101-C104 WeakPolarHBondContact O-CB 3.41Å; F101-C104 PolarHBondContact O-N 2.99Å; F101-P106 HydrophobicContact CB-CB 4.4Å; F101-P106 HydrophobicContact CB-CG 4.34Å; F101-P106 HydrophobicContact CD1-CB 4.16Å; F101-P106 HydrophobicContact CD2-CB 3.46Å; F101-P106 VanDerWaalsContact CD2-CB 3.46Å; F101-P106 HydrophobicContact CD2-CG 3.52Å; F101-P106 HydrophobicContact CE1-CB 4.27Å; F101-P106 HydrophobicContact CE2-CB 3.59Å; F101-P106 HydrophobicContact CE2-CG 3.97Å; F101-P106 HydrophobicContact CG-CB 3.77Å; F101-P106 HydrophobicContact CG-CG 4.05Å; F101-P106 HydrophobicContact CZ-CB 4.01Å |
| 102 | C | 80.3 | Confident | 84 | Confident | 61 Ų | 61 | 40.1 Ų | 40.1 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 125.7 | -175.7 | 179 | 0 | 0 | 0 | 0 | 111.7 | L98 K99 I155 | L98-C102 WeakPolarHBondContact O-CB 3.23Å; L98-C102 PolarHBondContact O-N 2.91Å; L98-C102 VanDerWaalsContact O-N 3.08Å; K99-C102 WeakPolarHBondContact O-CB 3.33Å; K99-C102 PolarHBondContact O-N 3.4Å; C102-I155 HydrophobicContact CB-CB 4.4Å; C102-I155 HydrophobicContact CB-CG2 4.02Å |
| 103 | P | 74.1 | Confident | 83.6 | Confident | 128 Ų | 128 | 41.3 Ų | 41.3 | 83% | 0.831 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -94.7 | 2.1 | 17.1 | 37.1 | -37.6 | 0 | 0 | 0 | 116 | ||
| 104 | C | 74.5 | Confident | 83.2 | Confident | 71 Ų | 71 | 45.4 Ų | 45.4 | 48% | 0.48 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -77.7 | 137.2 | -178.5 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | F101 P106 | F101-C104 CarbonylContact C-O 3.59Å; F101-C104 WeakPolarHBondContact O-CA 3.36Å; F101-C104 WeakPolarHBondContact O-CB 3.41Å; F101-C104 PolarHBondContact O-N 2.99Å; C104-P106 WeakPolarHBondContact O-CD 3.41Å |
| 105 | N | 78.3 | Confident | 82.9 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 19% | 0.193 | 31% | 0.306 | C | S | . | . | trans | -75.5 | 116.3 | 169.3 | 179.4 | 11.9 | 0 | 0 | 0 | 109.7 | L107 S108 E113 W160 | N105-L107 PolarHBondContact O-N 3.23Å; N105-L107 WeakPolarHBondContact OD1-CB 3.32Å; N105-L107 PolarHBondContact OD1-N 2.9Å; N105-S108 VanDerWaalsContact O-CB 3.23Å; N105-S108 WeakPolarHBondContact O-CB 2.92Å; N105-S108 PolarHBondContact O-N 2.98Å; N105-S108 VanDerWaalsContact O-N 3.09Å; N105-E113 PolarHBondContact ND2-OE1 3.36Å; N105-W160 HydrophobicContact CB-CZ2 4.36Å; N105-W160 WeakPolarHBondContact OD1-CZ2 3.48Å | ||
| 106 | P | 79.4 | Confident | 82.7 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.5 | 176.9 | 26.1 | -35.5 | 0 | 0 | 0 | 113.2 | K67 F70 L98 F101 C104 S108 | K67-P106 WeakPolarHBondContact CD-O 3.32Å; K67-P106 WeakPolarHBondContact CE-O 3.19Å; K67-P106 PolarHBondContact NZ-O 3.42Å; F70-P106 HydrophobicContact CD1-CB 3.97Å; F70-P106 HydrophobicContact CD1-CG 3.87Å; F70-P106 HydrophobicContact CE1-CB 4.22Å; F70-P106 HydrophobicContact CE1-CG 3.63Å; F70-P106 HydrophobicContact CE2-CG 4.37Å; F70-P106 HydrophobicContact CG-CB 4.4Å; F70-P106 HydrophobicContact CG-CG 4.34Å; F70-P106 HydrophobicContact CZ-CG 3.9Å; L98-P106 HydrophobicContact CD2-CG 4.05Å; F101-P106 HydrophobicContact CB-CB 4.4Å; F101-P106 HydrophobicContact CB-CG 4.34Å; F101-P106 HydrophobicContact CD1-CB 4.16Å; F101-P106 HydrophobicContact CD2-CB 3.46Å; F101-P106 VanDerWaalsContact CD2-CB 3.46Å; F101-P106 HydrophobicContact CD2-CG 3.52Å; F101-P106 HydrophobicContact CE1-CB 4.27Å; F101-P106 HydrophobicContact CE2-CB 3.59Å; F101-P106 HydrophobicContact CE2-CG 3.97Å; F101-P106 HydrophobicContact CG-CB 3.77Å; F101-P106 HydrophobicContact CG-CG 4.05Å; F101-P106 HydrophobicContact CZ-CB 4.01Å; C104-P106 WeakPolarHBondContact O-CD 3.41Å; P106-S108 VanDerWaalsContact C-N 3.29Å |
| 107 | L | 82.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.5 | 178.7 | -61.6 | 171.4 | 0 | 0 | 0 | 113.6 | F70 L71 N105 G109 L110 E113 L116 T117 I120 | F70-L107 HydrophobicContact CD1-CD2 4.28Å; F70-L107 HydrophobicContact CE1-CD1 4.38Å; F70-L107 HydrophobicContact CE1-CD2 3.84Å; F70-L107 HydrophobicContact CE1-CG 3.92Å; L71-L107 HydrophobicContact CD2-CD2 3.7Å; N105-L107 PolarHBondContact O-N 3.23Å; N105-L107 WeakPolarHBondContact OD1-CB 3.32Å; N105-L107 PolarHBondContact OD1-N 2.9Å; L107-G109 PolarHBondContact O-N 3.28Å; L107-L110 HydrophobicContact CB-CD1 4.48Å; L107-L110 HydrophobicContact CD2-CD1 3.94Å; L107-L110 WeakPolarHBondContact O-CB 3.5Å; L107-L110 WeakPolarHBondContact O-CG 3.44Å; L107-L110 PolarHBondContact O-N 2.75Å; L107-E113 HydrophobicContact CB-CG 4.03Å; L107-L116 HydrophobicContact CD1-CB 4Å; L107-L116 HydrophobicContact CD2-CB 3.85Å; L107-L116 HydrophobicContact CD2-CD1 4.16Å; L107-T117 WeakPolarHBondContact CD1-OG1 3.26Å; L107-I120 HydrophobicContact CD1-CD1 4.23Å |
| 108 | S | 77.4 | Confident | 82.6 | Confident | 70 Ų | 70 | 54.8 Ų | 54.8 | 49% | 0.49 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 132.2 | -178.4 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | K67 N105 P106 E113 | K67-S108 PolarHBondContact NZ-O 3.35Å; N105-S108 VanDerWaalsContact O-CB 3.23Å; N105-S108 WeakPolarHBondContact O-CB 2.92Å; N105-S108 PolarHBondContact O-N 2.98Å; N105-S108 VanDerWaalsContact O-N 3.09Å; P106-S108 VanDerWaalsContact C-N 3.29Å; S108-E113 WeakPolarHBondContact CA-OE1 3.32Å; S108-E113 WeakPolarHBondContact CA-OE2 3.48Å |
| 109 | G | 73.6 | Confident | 82.7 | Confident | 72 Ų | 72 | 57.7 Ų | 57.7 | 74% | 0.742 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 11.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | L107 E113 | L107-G109 PolarHBondContact O-N 3.28Å; G109-E113 PolarHBondContact N-OE2 3.48Å |
| 110 | L | 80.9 | Confident | 82.8 | Confident | 29 Ų | 29 | 55 Ų | 55 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | trans | -92.3 | 138.7 | 172 | -63 | 173.4 | 0 | 0 | 0 | 110.7 | I4 L71 L107 E112 E113 L116 | I4-L110 HydrophobicContact CG2-CD2 4.12Å; L71-L110 HydrophobicContact CD1-CD1 4.04Å; L71-L110 HydrophobicContact CD2-CD1 3.76Å; L71-L110 HydrophobicContact CG-CD1 4.45Å; L107-L110 HydrophobicContact CB-CD1 4.48Å; L107-L110 HydrophobicContact CD2-CD1 3.94Å; L107-L110 WeakPolarHBondContact O-CB 3.5Å; L107-L110 WeakPolarHBondContact O-CG 3.44Å; L107-L110 PolarHBondContact O-N 2.75Å; L110-E112 PolarHBondContact O-N 2.66Å; L110-E113 HydrophobicContact CB-CB 4.49Å; L110-E113 VanDerWaalsContact O-CB 3.27Å; L110-E113 WeakPolarHBondContact O-CB 3.47Å; L110-E113 PolarHBondContact O-N 2.73Å; L110-L116 HydrophobicContact CD1-CD1 4.08Å | ||
| 111 | S | 75.6 | Confident | 83.1 | Confident | 135 Ų | 135 | 54.6 Ų | 54.6 | 94% | 0.944 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22.3 | 178.6 | -49.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 112 | E | 81 | Confident | 83.5 | Confident | 128 Ų | 128 | 56.4 Ų | 56.4 | 60% | 0.598 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | 16.7 | 179.9 | -61.9 | -178.2 | 166.1 | 0 | 0 | 112.8 | L110 K114 V115 L116 | L110-E112 PolarHBondContact O-N 2.66Å; E112-K114 PolarHBondContact O-N 3.06Å; E112-V115 WeakPolarHBondContact O-CA 3.46Å; E112-V115 WeakPolarHBondContact O-CB 3.38Å; E112-V115 PolarHBondContact O-N 3.26Å; E112-L116 HydrophobicContact CB-CD1 4.07Å; E112-L116 HydrophobicContact CB-CG 4.45Å; E112-L116 PolarHBondContact O-N 3.16Å |
| 113 | E | 85.5 | Confident | 84.2 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 16% | 0.164 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -46.5 | -53.1 | -173.3 | 176 | 169.2 | -176.7 | 0 | 0 | 113.2 | N105 L107 S108 G109 L110 V115 L116 T117 F163 | N105-E113 PolarHBondContact ND2-OE1 3.36Å; L107-E113 HydrophobicContact CB-CG 4.03Å; S108-E113 WeakPolarHBondContact CA-OE1 3.32Å; S108-E113 WeakPolarHBondContact CA-OE2 3.48Å; G109-E113 PolarHBondContact N-OE2 3.48Å; L110-E113 HydrophobicContact CB-CB 4.49Å; L110-E113 VanDerWaalsContact O-CB 3.27Å; L110-E113 WeakPolarHBondContact O-CB 3.47Å; L110-E113 PolarHBondContact O-N 2.73Å; E113-V115 VanDerWaalsContact C-N 3.31Å; E113-V115 PolarHBondContact O-N 3.15Å; E113-L116 PolarHBondContact O-N 3.44Å; E113-T117 VanDerWaalsContact O-CB 3.3Å; E113-T117 WeakPolarHBondContact O-CB 3.36Å; E113-T117 PolarHBondContact O-N 2.92Å; E113-T117 PolarHBondContact O-OG1 3.17Å; E113-F163 HydrophobicContact CG-CE1 4.22Å; E113-F163 HydrophobicContact CG-CZ 4.32Å |
| 114 | K | 84.7 | Confident | 85.2 | Confident | 85 Ų | 85 | 48.1 Ų | 48.1 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.7 | -33.5 | 177.8 | -77.2 | -161.2 | 171.9 | -160.2 | 0 | 113.5 | E112 K118 F163 L164 E165 | E112-K114 PolarHBondContact O-N 3.06Å; K114-K118 VanDerWaalsContact O-CB 3.26Å; K114-K118 WeakPolarHBondContact O-CB 3.39Å; K114-K118 PolarHBondContact O-N 3.21Å; K114-F163 VanDerWaalsContact CE-O 3.27Å; K114-F163 WeakPolarHBondContact CE-O 3.42Å; K114-F163 HydrophobicContact CG-CE1 4.22Å; K114-F163 PolarHBondContact NZ-O 3.4Å; K114-L164 HydrophobicContact CB-CD2 4.01Å; K114-L164 HydrophobicContact CG-CD2 4.19Å; K114-L164 PolarHBondContact NZ-O 3.2Å; K114-L164 VanDerWaalsContact NZ-O 3.1Å; K114-L164 WeakPolarHBondContact O-CD2 3.44Å; K114-E165 IonicContact NZ-OE2 3.97Å; K114-E165 PolarHBondContact NZ-OE2 3.27Å |
| 115 | V | 87.7 | Confident | 86.2 | Confident | 94 Ų | 94 | 45 Ų | 45 | 57% | 0.57 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -73 | -48 | -179.5 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | E112 E113 T117 K118 E119 | E112-V115 WeakPolarHBondContact O-CA 3.46Å; E112-V115 WeakPolarHBondContact O-CB 3.38Å; E112-V115 PolarHBondContact O-N 3.26Å; E113-V115 VanDerWaalsContact C-N 3.31Å; E113-V115 PolarHBondContact O-N 3.15Å; V115-T117 PolarHBondContact O-N 3.18Å; V115-K118 WeakPolarHBondContact O-CB 2.98Å; V115-K118 PolarHBondContact O-N 3.5Å; V115-E119 PolarHBondContact O-N 2.89Å |
| 116 | L | 87.5 | Confident | 86.9 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 176.6 | -73.4 | 158.9 | 0 | 0 | 0 | 111.6 | L71 L107 L110 E112 E113 K118 E119 I120 | L71-L116 HydrophobicContact CD2-CD1 4.1Å; L107-L116 HydrophobicContact CD1-CB 4Å; L107-L116 HydrophobicContact CD2-CB 3.85Å; L107-L116 HydrophobicContact CD2-CD1 4.16Å; L110-L116 HydrophobicContact CD1-CD1 4.08Å; E112-L116 HydrophobicContact CB-CD1 4.07Å; E112-L116 HydrophobicContact CB-CG 4.45Å; E112-L116 PolarHBondContact O-N 3.16Å; E113-L116 PolarHBondContact O-N 3.44Å; L116-K118 VanDerWaalsContact C-N 3.31Å; L116-K118 PolarHBondContact O-N 3.29Å; L116-E119 PolarHBondContact O-N 2.65Å; L116-I120 WeakPolarHBondContact O-CB 3.5Å; L116-I120 WeakPolarHBondContact O-CG1 3.37Å; L116-I120 PolarHBondContact O-N 3.24Å |
| 117 | T | 90 | Very high | 87.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.6 | -42 | 174.3 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | L107 E113 V115 L121 W160 L164 | L107-T117 WeakPolarHBondContact CD1-OG1 3.26Å; E113-T117 VanDerWaalsContact O-CB 3.3Å; E113-T117 WeakPolarHBondContact O-CB 3.36Å; E113-T117 PolarHBondContact O-N 2.92Å; E113-T117 PolarHBondContact O-OG1 3.17Å; V115-T117 PolarHBondContact O-N 3.18Å; T117-L121 HydrophobicContact CG2-CD1 4.29Å; T117-L121 WeakPolarHBondContact O-CB 3.5Å; T117-L121 WeakPolarHBondContact O-CG 3.48Å; T117-L121 PolarHBondContact O-N 3.42Å; T117-W160 HydrophobicContact CG2-CB 4.05Å; T117-W160 HydrophobicContact CG2-CD2 4.19Å; T117-W160 HydrophobicContact CG2-CE3 3.74Å; T117-W160 HydrophobicContact CG2-CG 4.38Å; T117-W160 HydrophobicContact CG2-CZ3 4.42Å; T117-L164 HydrophobicContact CG2-CD1 4.2Å; T117-L164 HydrophobicContact CG2-CD2 3.75Å; T117-L164 HydrophobicContact CG2-CG 3.96Å |
| 118 | K | 90.9 | Very high | 88.1 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 177.6 | -177.8 | 172.3 | 175.9 | 175.4 | 0 | 112.7 | K114 V115 L116 L121 F122 L164 D166 V169 | K114-K118 VanDerWaalsContact O-CB 3.26Å; K114-K118 WeakPolarHBondContact O-CB 3.39Å; K114-K118 PolarHBondContact O-N 3.21Å; V115-K118 WeakPolarHBondContact O-CB 2.98Å; V115-K118 PolarHBondContact O-N 3.5Å; L116-K118 VanDerWaalsContact C-N 3.31Å; L116-K118 PolarHBondContact O-N 3.29Å; K118-L121 PolarHBondContact O-N 3.37Å; K118-F122 HydrophobicContact CD-CE2 4.42Å; K118-F122 HydrophobicContact CG-CD2 3.89Å; K118-F122 HydrophobicContact CG-CE2 3.85Å; K118-F122 WeakPolarHBondContact O-CD2 3.1Å; K118-F122 PolarHBondContact O-N 3.23Å; K118-L164 HydrophobicContact CB-CD1 3.81Å; K118-L164 HydrophobicContact CB-CD2 4.26Å; K118-L164 HydrophobicContact CG-CD1 4.32Å; K118-D166 WeakPolarHBondContact CE-OD2 3.49Å; K118-D166 IonicContact NZ-OD2 3.79Å; K118-D166 PolarHBondContact NZ-OD2 3.48Å; K118-V169 HydrophobicContact CD-CG2 4.42Å; K118-V169 HydrophobicContact CG-CG2 3.99Å |
| 119 | E | 91.2 | Very high | 88.8 | Confident | 68 Ų | 68 | 45.2 Ų | 45.2 | 32% | 0.318 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 177.7 | -64.8 | -131 | 118 | 0 | 0 | 111.8 | L79 K80 V115 L116 F123 | L79-E119 HydrophobicContact CD1-CB 4.35Å; K80-E119 VanDerWaalsContact NZ-CD 3.26Å; K80-E119 IonicContact NZ-OE1 3.51Å; K80-E119 PolarHBondContact NZ-OE1 3.49Å; K80-E119 IonicContact NZ-OE2 2.63Å; K80-E119 PolarHBondContact NZ-OE2 3Å; K80-E119 VanDerWaalsContact NZ-OE2 3.11Å; V115-E119 PolarHBondContact O-N 2.89Å; L116-E119 PolarHBondContact O-N 2.65Å; E119-F123 WeakPolarHBondContact O-CB 3.35Å; E119-F123 PolarHBondContact O-N 2.56Å |
| 120 | I | 92.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.1 | -42.2 | 179 | -71.1 | 166.8 | 0 | 0 | 0 | 111.2 | F70 L79 I94 L107 L116 F123 L124 | F70-I120 HydrophobicContact CE1-CD1 3.85Å; F70-I120 HydrophobicContact CZ-CD1 3.83Å; L79-I120 HydrophobicContact CD1-CG1 4.25Å; I94-I120 HydrophobicContact CG2-CG2 4.14Å; L107-I120 HydrophobicContact CD1-CD1 4.23Å; L116-I120 WeakPolarHBondContact O-CB 3.5Å; L116-I120 WeakPolarHBondContact O-CG1 3.37Å; L116-I120 PolarHBondContact O-N 3.24Å; I120-F123 PolarHBondContact O-N 2.82Å; I120-L124 HydrophobicContact CG2-CD1 4.11Å; I120-L124 HydrophobicContact CG2-CG 4.42Å; I120-L124 VanDerWaalsContact O-CG 3.32Å; I120-L124 WeakPolarHBondContact O-CG 3.41Å; I120-L124 PolarHBondContact O-N 3.27Å |
| 121 | L | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.5 | -47.2 | 175.5 | -77.2 | -178.2 | 0 | 0 | 0 | 112.2 | T117 K118 F123 L124 I125 V157 F158 W160 L164 V169 | T117-L121 HydrophobicContact CG2-CD1 4.29Å; T117-L121 WeakPolarHBondContact O-CB 3.5Å; T117-L121 WeakPolarHBondContact O-CG 3.48Å; T117-L121 PolarHBondContact O-N 3.42Å; K118-L121 PolarHBondContact O-N 3.37Å; L121-F123 VanDerWaalsContact C-N 3.3Å; L121-F123 PolarHBondContact O-N 3.43Å; L121-L124 PolarHBondContact O-N 3.23Å; L121-I125 WeakPolarHBondContact O-CB 3.42Å; L121-I125 WeakPolarHBondContact O-CG1 3.42Å; L121-I125 PolarHBondContact O-N 3.1Å; L121-V157 HydrophobicContact CD2-CG1 3.97Å; L121-F158 HydrophobicContact CD2-CD1 4.26Å; L121-W160 HydrophobicContact CD1-CB 3.79Å; L121-W160 HydrophobicContact CD2-CB 4.34Å; L121-W160 HydrophobicContact CD2-CE3 4.31Å; L121-W160 HydrophobicContact CG-CB 4.42Å; L121-W160 HydrophobicContact CG-CE3 4.45Å; L121-L164 HydrophobicContact CD1-CD1 3.73Å; L121-V169 HydrophobicContact CB-CG1 4.06Å; L121-V169 HydrophobicContact CD1-CG1 3.87Å |
| 122 | F | 94.3 | Very high | 90.9 | Very high | 55 Ų | 55 | 37.4 Ų | 37.4 | 24% | 0.241 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.3 | -43.4 | 175.9 | -88.2 | -63.8 | 0 | 0 | 0 | 111.9 | K118 L124 I125 D126 V169 | K118-F122 HydrophobicContact CD-CE2 4.42Å; K118-F122 HydrophobicContact CG-CD2 3.89Å; K118-F122 HydrophobicContact CG-CE2 3.85Å; K118-F122 WeakPolarHBondContact O-CD2 3.1Å; K118-F122 PolarHBondContact O-N 3.23Å; F122-L124 PolarHBondContact O-N 3.29Å; F122-I125 PolarHBondContact O-N 3.47Å; F122-D126 WeakPolarHBondContact O-CB 3.47Å; F122-D126 PolarHBondContact O-N 3.07Å; F122-V169 HydrophobicContact CD2-CG2 4.34Å; F122-V169 HydrophobicContact CE2-CG2 3.64Å; F122-V169 HydrophobicContact CZ-CG2 3.91Å |
| 123 | F | 94.9 | Very high | 91.2 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 176.5 | 174.8 | -100.8 | 0 | 0 | 0 | 113.1 | L79 Q87 V90 I94 E119 I120 L121 C127 | L79-F123 HydrophobicContact CB-CD2 4.05Å; L79-F123 HydrophobicContact CB-CE2 4.35Å; L79-F123 HydrophobicContact CB-CG 4.42Å; L79-F123 HydrophobicContact CD2-CB 4.31Å; L79-F123 HydrophobicContact CD2-CD1 3.61Å; L79-F123 HydrophobicContact CD2-CD2 4.01Å; L79-F123 HydrophobicContact CD2-CE1 3.74Å; L79-F123 HydrophobicContact CD2-CE2 4.15Å; L79-F123 HydrophobicContact CD2-CG 3.72Å; L79-F123 HydrophobicContact CD2-CZ 4Å; L79-F123 WeakPolarHBondContact O-CD2 3.36Å; L79-F123 WeakPolarHBondContact O-CE2 3.29Å; Q87-F123 HydrophobicContact CB-CE2 3.96Å; Q87-F123 HydrophobicContact CB-CZ 4.18Å; Q87-F123 HydrophobicContact CG-CE2 4.13Å; Q87-F123 WeakPolarHBondContact O-CZ 3.25Å; V90-F123 HydrophobicContact CB-CZ 4.36Å; V90-F123 HydrophobicContact CG1-CE1 4.31Å; V90-F123 HydrophobicContact CG1-CZ 4.11Å; I94-F123 HydrophobicContact CD1-CD1 4.39Å; I94-F123 HydrophobicContact CD1-CE1 4.07Å; E119-F123 WeakPolarHBondContact O-CB 3.35Å; E119-F123 PolarHBondContact O-N 2.56Å; I120-F123 PolarHBondContact O-N 2.82Å; L121-F123 VanDerWaalsContact C-N 3.3Å; L121-F123 PolarHBondContact O-N 3.43Å; F123-C127 WeakPolarHBondContact O-CB 3.33Å; F123-C127 PolarHBondContact O-N 2.67Å; F123-C127 PolarHBondContact O-SG 3.21Å |
| 124 | L | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.2 | -42.2 | 175.4 | -69.9 | 177.3 | 0 | 0 | 0 | 111.8 | I94 L98 I120 L121 F122 C127 I128 M148 V157 | I94-L124 HydrophobicContact CG2-CD2 4.37Å; L98-L124 HydrophobicContact CD1-CD1 4.2Å; I120-L124 HydrophobicContact CG2-CD1 4.11Å; I120-L124 HydrophobicContact CG2-CG 4.42Å; I120-L124 VanDerWaalsContact O-CG 3.32Å; I120-L124 WeakPolarHBondContact O-CG 3.41Å; I120-L124 PolarHBondContact O-N 3.27Å; L121-L124 PolarHBondContact O-N 3.23Å; F122-L124 PolarHBondContact O-N 3.29Å; L124-C127 PolarHBondContact O-N 3.35Å; L124-I128 VanDerWaalsContact O-CB 3.32Å; L124-I128 WeakPolarHBondContact O-CB 3.26Å; L124-I128 WeakPolarHBondContact O-CG1 3.39Å; L124-I128 PolarHBondContact O-N 3.26Å; L124-M148 HydrophobicContact CD2-CE 3.49Å; L124-M148 VanDerWaalsContact CD2-CE 3.49Å; L124-V157 HydrophobicContact CD1-CG1 4.08Å |
| 125 | I | 95 | Very high | 91.3 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.4 | -51.2 | 174.4 | -70.5 | 167.2 | 0 | 0 | 0 | 110.4 | L121 F122 C127 I128 G129 F158 V169 F173 M176 | L121-I125 WeakPolarHBondContact O-CB 3.42Å; L121-I125 WeakPolarHBondContact O-CG1 3.42Å; L121-I125 PolarHBondContact O-N 3.1Å; F122-I125 PolarHBondContact O-N 3.47Å; I125-C127 VanDerWaalsContact C-N 3.34Å; I125-C127 PolarHBondContact O-N 3.3Å; I125-I128 PolarHBondContact O-N 2.95Å; I125-G129 PolarHBondContact O-N 3.09Å; I125-F158 HydrophobicContact CG1-CD1 4.49Å; I125-F158 HydrophobicContact CG1-CE1 3.83Å; I125-V169 HydrophobicContact CD1-CG1 4.18Å; I125-F173 HydrophobicContact CD1-CB 4.09Å; I125-M176 HydrophobicContact CG2-CB 3.85Å; I125-M176 HydrophobicContact CG2-CG 4.28Å; I125-M176 HydrophobicContact CG2-SD 4.49Å |
| 126 | D | 93.7 | Very high | 91.1 | Very high | 101 Ų | 101 | 38.5 Ų | 38.5 | 54% | 0.54 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.5 | -36.6 | 179.6 | -81.6 | -7.7 | 0 | 0 | 0 | 112.7 | R84 F122 | R84-D126 VanDerWaalsContact NH2-C 3.27Å; R84-D126 PolarHBondContact NH2-O 3.07Å; F122-D126 WeakPolarHBondContact O-CB 3.47Å; F122-D126 PolarHBondContact O-N 3.07Å |
| 127 | C | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.8 | -57.6 | 175.2 | -72.6 | 0 | 0 | 0 | 0 | 110.8 | L88 F123 L124 I125 G129 L130 L145 M148 | L88-C127 HydrophobicContact CD2-CB 4.34Å; F123-C127 WeakPolarHBondContact O-CB 3.33Å; F123-C127 PolarHBondContact O-N 2.67Å; F123-C127 PolarHBondContact O-SG 3.21Å; L124-C127 PolarHBondContact O-N 3.35Å; I125-C127 VanDerWaalsContact C-N 3.34Å; I125-C127 PolarHBondContact O-N 3.3Å; C127-G129 VanDerWaalsContact C-N 3.26Å; C127-G129 PolarHBondContact O-N 2.88Å; C127-L130 VanDerWaalsContact O-CB 3.27Å; C127-L130 WeakPolarHBondContact O-CB 3.32Å; C127-L130 WeakPolarHBondContact O-CG 3.42Å; C127-L130 PolarHBondContact O-N 3.2Å; C127-L145 WeakPolarHBondContact O-CD2 3.39Å; C127-M148 HydrophobicContact CB-CE 3.52Å; C127-M148 HydrophobicContact CB-SD 4.11Å |
| 128 | I | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.1 | -34 | -177.2 | -72.7 | 165.7 | 0 | 0 | 0 | 111.5 | L124 I125 L130 L131 M148 I149 C152 F158 M176 I180 | L124-I128 VanDerWaalsContact O-CB 3.32Å; L124-I128 WeakPolarHBondContact O-CB 3.26Å; L124-I128 WeakPolarHBondContact O-CG1 3.39Å; L124-I128 PolarHBondContact O-N 3.26Å; I125-I128 PolarHBondContact O-N 2.95Å; I128-L130 PolarHBondContact O-N 3.19Å; I128-L131 HydrophobicContact CG2-CD1 4.11Å; I128-L131 WeakPolarHBondContact O-CB 3.11Å; I128-L131 WeakPolarHBondContact O-CG 3.44Å; I128-L131 PolarHBondContact O-N 3.24Å; I128-M148 HydrophobicContact CD1-CB 4.26Å; I128-M148 HydrophobicContact CG1-CB 4.01Å; I128-I149 HydrophobicContact CD1-CB 4.38Å; I128-I149 HydrophobicContact CD1-CD1 4.41Å; I128-I149 HydrophobicContact CG1-CB 4.4Å; I128-I149 HydrophobicContact CG2-CB 4.14Å; I128-I149 HydrophobicContact CG2-CD1 4.03Å; I128-I149 HydrophobicContact CG2-CG1 4.33Å; I128-C152 HydrophobicContact CD1-CB 4.32Å; I128-F158 HydrophobicContact CD1-CE2 4.3Å; I128-F158 HydrophobicContact CD1-CZ 3.85Å; I128-M176 HydrophobicContact CB-SD 3.88Å; I128-M176 HydrophobicContact CG2-CE 4.32Å; I128-M176 HydrophobicContact CG2-CG 4.3Å; I128-M176 HydrophobicContact CG2-SD 3.51Å; I128-M176 VanDerWaalsContact CG2-SD 3.51Å; I128-I180 HydrophobicContact CG2-CD1 4.2Å; I128-I180 WeakPolarHBondContact O-CG2 3.41Å |
| 129 | G | 92.5 | Very high | 90.1 | Very high | 17 Ų | 17 | 47.3 Ų | 47.3 | 18% | 0.175 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.5 | -26.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | I125 C127 L131 S132 | I125-G129 PolarHBondContact O-N 3.09Å; C127-G129 VanDerWaalsContact C-N 3.26Å; C127-G129 PolarHBondContact O-N 2.88Å; G129-L131 PolarHBondContact O-N 3.45Å; G129-L131 VanDerWaalsContact O-N 3.15Å; G129-S132 WeakPolarHBondContact O-CB 3.47Å; G129-S132 PolarHBondContact O-N 2.91Å; G129-S132 PolarHBondContact O-OG 2.78Å |
| 130 | L | 92.1 | Very high | 89.7 | Confident | 46 Ų | 46 | 47.6 Ų | 47.6 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -63.1 | -17.2 | 174.5 | -66 | -174 | 0 | 0 | 0 | 114.3 | R84 L88 C127 I128 S132 N133 L145 | R84-L130 HydrophobicContact CG-CD1 4.16Å; R84-L130 VanDerWaalsContact NE-CD1 3.34Å; L88-L130 HydrophobicContact CD2-CD1 4.47Å; C127-L130 VanDerWaalsContact O-CB 3.27Å; C127-L130 WeakPolarHBondContact O-CB 3.32Å; C127-L130 WeakPolarHBondContact O-CG 3.42Å; C127-L130 PolarHBondContact O-N 3.2Å; I128-L130 PolarHBondContact O-N 3.19Å; L130-S132 PolarHBondContact O-N 3.14Å; L130-N133 WeakPolarHBondContact O-CB 3.4Å; L130-N133 PolarHBondContact O-N 2.68Å; L130-L145 HydrophobicContact CB-CD1 3.7Å; L130-L145 HydrophobicContact CB-CD2 4.2Å |
| 131 | L | 91 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -56.8 | -29.9 | 173.6 | -74.1 | 168.5 | 0 | 0 | 0 | 111.8 | I128 G129 N133 V134 L145 I149 I180 W187 | I128-L131 HydrophobicContact CG2-CD1 4.11Å; I128-L131 WeakPolarHBondContact O-CB 3.11Å; I128-L131 WeakPolarHBondContact O-CG 3.44Å; I128-L131 PolarHBondContact O-N 3.24Å; G129-L131 PolarHBondContact O-N 3.45Å; G129-L131 VanDerWaalsContact O-N 3.15Å; L131-N133 PolarHBondContact O-N 2.83Å; L131-N133 VanDerWaalsContact O-N 3.12Å; L131-V134 HydrophobicContact CD2-CG2 4.36Å; L131-V134 PolarHBondContact O-N 3.44Å; L131-L145 HydrophobicContact CD2-CB 3.5Å; L131-L145 HydrophobicContact CD2-CD1 4.01Å; L131-L145 HydrophobicContact CD2-CG 4.41Å; L131-L145 HydrophobicContact CG-CB 3.87Å; L131-L145 HydrophobicContact CG-CD1 4.13Å; L131-I149 HydrophobicContact CD1-CB 4.11Å; L131-I149 HydrophobicContact CD1-CG2 3.73Å; L131-I180 HydrophobicContact CB-CB 4.12Å; L131-I180 HydrophobicContact CB-CG2 3.8Å; L131-W187 HydrophobicContact CB-CD2 4.29Å; L131-W187 HydrophobicContact CB-CZ2 4.24Å; L131-W187 HydrophobicContact CD1-CE3 4.29Å; L131-W187 HydrophobicContact CD1-CH2 3.85Å; L131-W187 HydrophobicContact CD1-CZ2 4.15Å; L131-W187 HydrophobicContact CD1-CZ3 3.95Å; L131-W187 HydrophobicContact CD2-CD2 4.06Å; L131-W187 HydrophobicContact CD2-CE3 3.99Å; L131-W187 HydrophobicContact CD2-CG 4.41Å; L131-W187 HydrophobicContact CD2-CZ3 4.44Å |
| 132 | S | 89.1 | Confident | 89.4 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -59.9 | -22.7 | 174.4 | 75.1 | 0 | 0 | 0 | 0 | 113.3 | G129 L130 A179 N183 | G129-S132 WeakPolarHBondContact O-CB 3.47Å; G129-S132 PolarHBondContact O-N 2.91Å; G129-S132 PolarHBondContact O-OG 2.78Å; L130-S132 PolarHBondContact O-N 3.14Å; S132-A179 WeakPolarHBondContact CB-O 3.27Å; S132-N183 PolarHBondContact O-ND2 2.8Å |
| 133 | N | 87.6 | Confident | 89.2 | Confident | 112 Ų | 112 | 53 Ų | 53 | 60% | 0.599 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -99.9 | -6.8 | -178 | -66.3 | -47.7 | 0 | 0 | 0 | 113.8 | L130 L131 K135 | L130-N133 WeakPolarHBondContact O-CB 3.4Å; L130-N133 PolarHBondContact O-N 2.68Å; L131-N133 PolarHBondContact O-N 2.83Å; L131-N133 VanDerWaalsContact O-N 3.12Å; N133-K135 PolarHBondContact O-N 3.5Å |
| 134 | V | 88.2 | Confident | 89 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | trans | -69 | 126.2 | -179.6 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | L131 T136 Y142 L145 W187 | L131-V134 HydrophobicContact CD2-CG2 4.36Å; L131-V134 PolarHBondContact O-N 3.44Å; V134-T136 WeakPolarHBondContact CG1-O 3.34Å; V134-Y142 HydrophobicContact CG1-CD2 4.1Å; V134-Y142 HydrophobicContact CG1-CG 4.44Å; V134-L145 HydrophobicContact CG2-CD1 3.99Å; V134-W187 HydrophobicContact CB-CB 4.35Å; V134-W187 HydrophobicContact CG1-CB 4.09Å | ||
| 135 | K | 83.8 | Confident | 88.9 | Confident | 176 Ų | 176 | 53.6 Ų | 53.6 | 77% | 0.765 | 30% | 0.295 | S | S | * | . | trans | -103.3 | -21.9 | -178 | -66.2 | 177 | -175.8 | 173 | 0 | 114 | N133 V186 | N133-K135 PolarHBondContact O-N 3.5Å; K135-V186 VanDerWaalsContact O-CG1 3.26Å; K135-V186 WeakPolarHBondContact O-CG1 3.36Å | ||
| 136 | T | 83.6 | Confident | 88.7 | Confident | 73 Ų | 73 | 55.1 Ų | 55.1 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | trans | -151 | 148.6 | 176.5 | 55.8 | 0 | 0 | 0 | 0 | 110.4 | V134 T138 D139 | V134-T136 WeakPolarHBondContact CG1-O 3.34Å; T136-T138 WeakPolarHBondContact CB-OG1 3.42Å; T136-T138 PolarHBondContact O-N 3.39Å; T136-T138 PolarHBondContact OG1-OG1 2.88Å; T136-D139 PolarHBondContact O-N 3.11Å | ||
| 137 | K | 84.8 | Confident | 88.5 | Confident | 98 Ų | 98 | 52.1 Ų | 52.1 | 43% | 0.426 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 1.5 | 173.8 | -53.2 | 179.1 | -166.5 | -179.8 | 0 | 113.5 | Y142 V186 S188 | K137-Y142 HydrophobicContact CB-CD1 4.02Å; K137-Y142 HydrophobicContact CB-CE1 3.85Å; K137-Y142 HydrophobicContact CG-CE1 4.31Å; K137-Y142 VanDerWaalsContact O-CD1 3.24Å; K137-Y142 WeakPolarHBondContact O-CD1 3.49Å; K137-V186 WeakPolarHBondContact CE-O 3.35Å; K137-S188 WeakPolarHBondContact CE-O 3.21Å; K137-S188 PolarHBondContact NZ-O 3.47Å |
| 138 | T | 82.6 | Confident | 88.5 | Confident | 126 Ų | 126 | 52.1 Ų | 52.1 | 77% | 0.773 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -0.8 | 176 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | T136 | T136-T138 WeakPolarHBondContact CB-OG1 3.42Å; T136-T138 PolarHBondContact O-N 3.39Å; T136-T138 PolarHBondContact OG1-OG1 2.88Å |
| 139 | D | 81.4 | Confident | 88.5 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | trans | -66.3 | 134.4 | 174.4 | -163.2 | -37.5 | 0 | 0 | 0 | 110.3 | T136 V141 Y142 | T136-D139 PolarHBondContact O-N 3.11Å; D139-V141 PolarHBondContact O-N 2.99Å; D139-V141 WeakPolarHBondContact OD1-CB 3.03Å; D139-V141 PolarHBondContact OD1-N 3.13Å; D139-Y142 WeakPolarHBondContact O-CB 3.27Å; D139-Y142 PolarHBondContact O-N 3Å | ||
| 140 | A | 82.3 | Confident | 88.5 | Confident | 75 Ų | 75 | 55.8 Ų | 55.8 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 141 | V | 88.8 | Confident | 88.5 | Confident | 39 Ų | 39 | 54.1 Ų | 54.1 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -33.3 | 172.7 | 167.3 | 0 | 0 | 0 | 0 | 112.1 | L88 D139 I143 K144 L145 | L88-V141 HydrophobicContact CD1-CB 4.26Å; L88-V141 HydrophobicContact CD1-CG1 3.7Å; L88-V141 HydrophobicContact CD1-CG2 3.87Å; D139-V141 PolarHBondContact O-N 2.99Å; D139-V141 WeakPolarHBondContact OD1-CB 3.03Å; D139-V141 PolarHBondContact OD1-N 3.13Å; V141-I143 PolarHBondContact O-N 3.08Å; V141-K144 PolarHBondContact O-N 3.46Å; V141-L145 HydrophobicContact CG1-CD1 3.48Å; V141-L145 VanDerWaalsContact CG1-CD1 3.48Å; V141-L145 HydrophobicContact CG1-CG 3.82Å; V141-L145 PolarHBondContact O-N 3.29Å |
| 142 | Y | 90.5 | Very high | 88.6 | Confident | 19 Ų | 19 | 54.1 Ų | 54.1 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.2 | -47 | -172.7 | 164.3 | -104.2 | 0 | 0 | 0 | 112.7 | V134 K137 D139 K144 L145 H146 W187 | V134-Y142 HydrophobicContact CG1-CD2 4.1Å; V134-Y142 HydrophobicContact CG1-CG 4.44Å; K137-Y142 HydrophobicContact CB-CD1 4.02Å; K137-Y142 HydrophobicContact CB-CE1 3.85Å; K137-Y142 HydrophobicContact CG-CE1 4.31Å; K137-Y142 VanDerWaalsContact O-CD1 3.24Å; K137-Y142 WeakPolarHBondContact O-CD1 3.49Å; D139-Y142 WeakPolarHBondContact O-CB 3.27Å; D139-Y142 PolarHBondContact O-N 3Å; Y142-K144 PolarHBondContact O-N 3.03Å; Y142-L145 PolarHBondContact O-N 2.96Å; Y142-H146 HydrophobicContact CE1-CB 4.44Å; Y142-H146 HydrophobicContact CE2-CB 4.02Å; Y142-H146 WeakPolarHBondContact O-CB 3.36Å; Y142-H146 PolarHBondContact O-N 3.39Å; Y142-H146 PolarHBondContact OH-CD2 2.95Å; Y142-W187 HydrophobicContact CD2-CB 4.34Å; Y142-W187 HydrophobicContact CE2-CB 4.14Å; Y142-W187 WeakPolarHBondContact CE2-O 3.37Å; Y142-W187 PolarHBondContact OH-O 3.07Å |
| 143 | I | 88.2 | Confident | 88.6 | Confident | 113 Ų | 113 | 53.3 Ų | 53.3 | 58% | 0.579 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.4 | -37.4 | -176.7 | -59.9 | 174.6 | 0 | 0 | 0 | 111.4 | V141 T147 | V141-I143 PolarHBondContact O-N 3.08Å; I143-T147 PolarHBondContact O-N 2.69Å; I143-T147 PolarHBondContact O-OG1 3.12Å; I143-T147 VanDerWaalsContact O-OG1 3.09Å |
| 144 | K | 91.6 | Very high | 88.7 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 11% | 0.109 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.7 | -50.9 | 178.1 | -58.6 | 178.6 | -177.2 | 176.2 | 0 | 111 | D85 L88 R89 V92 V141 Y142 H146 T147 M148 | D85-K144 PolarHBondContact O-NZ 3.18Å; D85-K144 IonicContact OD1-NZ 2.96Å; D85-K144 PolarHBondContact OD1-NZ 3.24Å; D85-K144 IonicContact OD2-NZ 3.02Å; D85-K144 PolarHBondContact OD2-NZ 3.15Å; L88-K144 HydrophobicContact CB-CB 4.3Å; L88-K144 HydrophobicContact CB-CD 3.57Å; R89-K144 HydrophobicContact CG-CD 4.47Å; V92-K144 HydrophobicContact CG2-CB 3.85Å; V92-K144 HydrophobicContact CG2-CG 4.37Å; V141-K144 PolarHBondContact O-N 3.46Å; Y142-K144 PolarHBondContact O-N 3.03Å; K144-H146 PolarHBondContact O-N 3Å; K144-T147 PolarHBondContact O-N 3.19Å; K144-M148 WeakPolarHBondContact O-CG 3.24Å; K144-M148 PolarHBondContact O-N 3.18Å |
| 145 | L | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | -179.7 | -68 | -179.5 | 0 | 0 | 0 | 112.6 | L88 C127 L130 L131 V134 V141 Y142 T147 M148 I149 | L88-L145 HydrophobicContact CD2-CD2 3.42Å; L88-L145 VanDerWaalsContact CD2-CD2 3.42Å; L88-L145 HydrophobicContact CD2-CG 4.16Å; C127-L145 WeakPolarHBondContact O-CD2 3.39Å; L130-L145 HydrophobicContact CB-CD1 3.7Å; L130-L145 HydrophobicContact CB-CD2 4.2Å; L131-L145 HydrophobicContact CD2-CB 3.5Å; L131-L145 HydrophobicContact CD2-CD1 4.01Å; L131-L145 HydrophobicContact CD2-CG 4.41Å; L131-L145 HydrophobicContact CG-CB 3.87Å; L131-L145 HydrophobicContact CG-CD1 4.13Å; V134-L145 HydrophobicContact CG2-CD1 3.99Å; V141-L145 HydrophobicContact CG1-CD1 3.48Å; V141-L145 VanDerWaalsContact CG1-CD1 3.48Å; V141-L145 HydrophobicContact CG1-CG 3.82Å; V141-L145 PolarHBondContact O-N 3.29Å; Y142-L145 PolarHBondContact O-N 2.96Å; L145-T147 PolarHBondContact O-N 2.92Å; L145-M148 PolarHBondContact O-N 3.27Å; L145-I149 WeakPolarHBondContact O-CG2 3.3Å; L145-I149 PolarHBondContact O-N 3.49Å |
| 146 | H | 90.3 | Very high | 89.1 | Confident | 39 Ų | 39 | 47.6 Ų | 47.6 | 18% | 0.181 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -49.6 | -55.5 | 171.4 | 162.9 | -87.4 | 0 | 0 | 0 | 111.3 | Y142 K144 M148 I149 Y150 W189 | Y142-H146 HydrophobicContact CE1-CB 4.44Å; Y142-H146 HydrophobicContact CE2-CB 4.02Å; Y142-H146 WeakPolarHBondContact O-CB 3.36Å; Y142-H146 PolarHBondContact O-N 3.39Å; Y142-H146 PolarHBondContact OH-CD2 2.95Å; K144-H146 PolarHBondContact O-N 3Å; H146-M148 VanDerWaalsContact C-N 3.31Å; H146-M148 PolarHBondContact O-N 2.95Å; H146-I149 VanDerWaalsContact O-CG2 3.32Å; H146-I149 WeakPolarHBondContact O-CG2 3.43Å; H146-I149 PolarHBondContact O-N 3.21Å; H146-Y150 VanDerWaalsContact O-CB 3.27Å; H146-Y150 WeakPolarHBondContact O-CB 3.27Å; H146-Y150 PolarHBondContact O-N 3.46Å; H146-W189 AromaticContact CD2-CD2 3.66Å; H146-W189 AromaticContact CD2-CE3 3.41Å; H146-W189 VanDerWaalsContact CD2-CE3 3.41Å; H146-W189 AromaticContact CD2-CG 3.76Å; H146-W189 WeakPolarHBondContact NE2-CB 3.43Å; H146-W189 AromaticContact NE2-CD1 3.97Å; H146-W189 AromaticContact NE2-CD2 3.56Å; H146-W189 AromaticContact NE2-CE3 3.82Å; H146-W189 AromaticContact NE2-CG 3.37Å |
| 147 | T | 90.4 | Very high | 89.4 | Confident | 37 Ų | 37 | 44.4 Ų | 44.4 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.8 | -34.3 | -177.2 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | V92 I143 K144 L145 I151 | V92-T147 HydrophobicContact CG1-CG2 4.41Å; I143-T147 PolarHBondContact O-N 2.69Å; I143-T147 PolarHBondContact O-OG1 3.12Å; I143-T147 VanDerWaalsContact O-OG1 3.09Å; K144-T147 PolarHBondContact O-N 3.19Å; L145-T147 PolarHBondContact O-N 2.92Å; T147-I151 HydrophobicContact CG2-CD1 3.73Å; T147-I151 HydrophobicContact CG2-CG1 4.43Å; T147-I151 WeakPolarHBondContact O-CB 3.47Å; T147-I151 VanDerWaalsContact O-CG1 3.27Å; T147-I151 WeakPolarHBondContact O-CG1 3.21Å; T147-I151 PolarHBondContact O-N 2.84Å |
| 148 | M | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -52.6 | 173.6 | -69.8 | 179.5 | 70.3 | 0 | 0 | 112.4 | L88 V92 L124 C127 I128 K144 L145 H146 C152 | L88-M148 HydrophobicContact CD2-SD 4.49Å; V92-M148 HydrophobicContact CG2-CG 3.83Å; V92-M148 HydrophobicContact CG2-SD 4.4Å; L124-M148 HydrophobicContact CD2-CE 3.49Å; L124-M148 VanDerWaalsContact CD2-CE 3.49Å; C127-M148 HydrophobicContact CB-CE 3.52Å; C127-M148 HydrophobicContact CB-SD 4.11Å; I128-M148 HydrophobicContact CD1-CB 4.26Å; I128-M148 HydrophobicContact CG1-CB 4.01Å; K144-M148 WeakPolarHBondContact O-CG 3.24Å; K144-M148 PolarHBondContact O-N 3.18Å; L145-M148 PolarHBondContact O-N 3.27Å; H146-M148 VanDerWaalsContact C-N 3.31Å; H146-M148 PolarHBondContact O-N 2.95Å; M148-C152 WeakPolarHBondContact O-CB 3.23Å; M148-C152 PolarHBondContact O-N 3.41Å; M148-C152 PolarHBondContact O-SG 3.2Å |
| 149 | I | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68 | -38 | -179.9 | -174.9 | 54.2 | 0 | 0 | 0 | 112.2 | I128 L131 L145 H146 C152 A153 F158 W187 W189 M202 | I128-I149 HydrophobicContact CD1-CB 4.38Å; I128-I149 HydrophobicContact CD1-CD1 4.41Å; I128-I149 HydrophobicContact CG1-CB 4.4Å; I128-I149 HydrophobicContact CG2-CB 4.14Å; I128-I149 HydrophobicContact CG2-CD1 4.03Å; I128-I149 HydrophobicContact CG2-CG1 4.33Å; L131-I149 HydrophobicContact CD1-CB 4.11Å; L131-I149 HydrophobicContact CD1-CG2 3.73Å; L145-I149 WeakPolarHBondContact O-CG2 3.3Å; L145-I149 PolarHBondContact O-N 3.49Å; H146-I149 VanDerWaalsContact O-CG2 3.32Å; H146-I149 WeakPolarHBondContact O-CG2 3.43Å; H146-I149 PolarHBondContact O-N 3.21Å; I149-C152 PolarHBondContact O-N 3.26Å; I149-A153 VanDerWaalsContact O-CB 3.31Å; I149-A153 WeakPolarHBondContact O-CB 3.39Å; I149-A153 PolarHBondContact O-N 3.2Å; I149-F158 HydrophobicContact CD1-CE2 4.46Å; I149-W187 HydrophobicContact CG2-CZ3 4.47Å; I149-W189 HydrophobicContact CG2-CH2 4.24Å; I149-W189 HydrophobicContact CG2-CZ3 3.86Å; I149-M202 HydrophobicContact CD1-CE 4.08Å; I149-M202 HydrophobicContact CD1-SD 4.08Å |
| 150 | Y | 92.3 | Very high | 90.5 | Very high | 95 Ų | 95 | 34.3 Ų | 34.3 | 37% | 0.373 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60 | -47.8 | 177.2 | 179.3 | -99.3 | 0 | 0 | 0 | 111.4 | H146 Q154 W189 | H146-Y150 VanDerWaalsContact O-CB 3.27Å; H146-Y150 WeakPolarHBondContact O-CB 3.27Å; H146-Y150 PolarHBondContact O-N 3.46Å; Y150-Q154 WeakPolarHBondContact O-CB 3.49Å; Y150-Q154 PolarHBondContact O-N 2.88Å; Y150-W189 HydrophobicContact CD2-CH2 4.41Å; Y150-W189 AromaticContact CD2-CZ2 3.73Å; Y150-W189 HydrophobicContact CD2-CZ2 3.73Å |
| 151 | I | 92 | Very high | 90.8 | Very high | 10 Ų | 10 | 30.9 Ų | 30.9 | 5% | 0.051 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.4 | -48.4 | 177.3 | -65.3 | 170.1 | 0 | 0 | 0 | 110.8 | C95 K96 K99 T147 A153 Q154 I155 | C95-I151 HydrophobicContact CB-CB 4.16Å; C95-I151 HydrophobicContact CB-CD1 4.19Å; C95-I151 HydrophobicContact CB-CG2 4.01Å; C95-I151 WeakPolarHBondContact O-CG2 3.47Å; K96-I151 HydrophobicContact CG-CD1 4.1Å; K99-I151 HydrophobicContact CB-CG2 3.99Å; K99-I151 HydrophobicContact CD-CG2 4.36Å; T147-I151 HydrophobicContact CG2-CD1 3.73Å; T147-I151 HydrophobicContact CG2-CG1 4.43Å; T147-I151 WeakPolarHBondContact O-CB 3.47Å; T147-I151 VanDerWaalsContact O-CG1 3.27Å; T147-I151 WeakPolarHBondContact O-CG1 3.21Å; T147-I151 PolarHBondContact O-N 2.84Å; I151-A153 PolarHBondContact O-N 3.09Å; I151-Q154 PolarHBondContact O-N 3.42Å; I151-I155 HydrophobicContact CG2-CD1 4.19Å; I151-I155 HydrophobicContact CG2-CG1 4.03Å; I151-I155 WeakPolarHBondContact O-CG1 3.33Å; I151-I155 PolarHBondContact O-N 3.03Å |
| 152 | C | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -31.8 | -177.6 | -66.5 | 0 | 0 | 0 | 0 | 113.2 | I128 M148 I149 D156 V157 F158 | I128-C152 HydrophobicContact CD1-CB 4.32Å; M148-C152 WeakPolarHBondContact O-CB 3.23Å; M148-C152 PolarHBondContact O-N 3.41Å; M148-C152 PolarHBondContact O-SG 3.2Å; I149-C152 PolarHBondContact O-N 3.26Å; C152-D156 PolarHBondContact O-N 3.27Å; C152-V157 HydrophobicContact CB-CB 4.44Å; C152-V157 HydrophobicContact CB-CG2 4.49Å; C152-V157 PolarHBondContact O-N 2.93Å; C152-V157 VanDerWaalsContact O-N 3.15Å; C152-F158 HydrophobicContact CB-CD2 4.24Å; C152-F158 HydrophobicContact CB-CE2 3.65Å; C152-F158 HydrophobicContact CB-CZ 4.33Å |
| 153 | A | 89.6 | Confident | 90.4 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -82.2 | -26.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I149 I151 M198 M202 | I149-A153 VanDerWaalsContact O-CB 3.31Å; I149-A153 WeakPolarHBondContact O-CB 3.39Å; I149-A153 PolarHBondContact O-N 3.2Å; I151-A153 PolarHBondContact O-N 3.09Å; A153-M198 HydrophobicContact CB-CE 3.5Å; A153-M198 VanDerWaalsContact CB-CE 3.5Å; A153-M198 HydrophobicContact CB-CG 4.31Å; A153-M198 HydrophobicContact CB-SD 4.1Å; A153-M202 HydrophobicContact CB-SD 3.97Å |
| 154 | Q | 89 | Confident | 90.2 | Very high | 97 Ų | 97 | 28.9 Ų | 28.9 | 45% | 0.453 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -70.4 | -39.3 | 174.6 | -177.6 | 174 | 32.7 | 0 | 0 | 112.2 | Y150 I151 | Y150-Q154 WeakPolarHBondContact O-CB 3.49Å; Y150-Q154 PolarHBondContact O-N 2.88Å; I151-Q154 PolarHBondContact O-N 3.42Å |
| 155 | I | 89.9 | Confident | 89.7 | Confident | 34 Ų | 34 | 33.5 Ų | 33.5 | 17% | 0.174 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 18.7 | -176.8 | 55.6 | 146.4 | 0 | 0 | 0 | 113.5 | L98 K99 C102 I151 V157 | L98-I155 HydrophobicContact CB-CD1 3.7Å; K99-I155 HydrophobicContact CB-CD1 4.48Å; K99-I155 HydrophobicContact CG-CG2 4.4Å; C102-I155 HydrophobicContact CB-CB 4.4Å; C102-I155 HydrophobicContact CB-CG2 4.02Å; I151-I155 HydrophobicContact CG2-CD1 4.19Å; I151-I155 HydrophobicContact CG2-CG1 4.03Å; I151-I155 WeakPolarHBondContact O-CG1 3.33Å; I151-I155 PolarHBondContact O-N 3.03Å; I155-V157 VanDerWaalsContact C-N 3.25Å; I155-V157 HydrophobicContact CD1-CG2 3.44Å; I155-V157 VanDerWaalsContact CD1-CG2 3.44Å; I155-V157 HydrophobicContact CG1-CG2 3.78Å; I155-V157 PolarHBondContact O-N 3.28Å |
| 156 | D | 90.6 | Very high | 89.4 | Confident | 42 Ų | 42 | 35.4 Ų | 35.4 | 23% | 0.225 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 30.4 | 171.3 | -74.3 | -35.9 | 0 | 0 | 0 | 116.5 | C152 F158 L159 K205 | C152-D156 PolarHBondContact O-N 3.27Å; D156-F158 PolarHBondContact O-N 3.12Å; D156-L159 HydrophobicContact CB-CD1 3.75Å; D156-L159 HydrophobicContact CB-CG 4.02Å; D156-L159 WeakPolarHBondContact O-CB 3.49Å; D156-L159 WeakPolarHBondContact O-CG 3.48Å; D156-L159 PolarHBondContact O-N 3.37Å; D156-K205 VanDerWaalsContact OD1-CD 3.26Å; D156-K205 WeakPolarHBondContact OD1-CD 3.44Å; D156-K205 IonicContact OD1-NZ 2.83Å; D156-K205 PolarHBondContact OD1-NZ 3.19Å; D156-K205 IonicContact OD2-NZ 2.71Å; D156-K205 PolarHBondContact OD2-NZ 3.34Å |
| 157 | V | 90.8 | Very high | 89.2 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -50.5 | -37.9 | -173.6 | 176.6 | 0 | 0 | 0 | 0 | 113 | L98 L121 L124 C152 I155 L159 W160 | L98-V157 HydrophobicContact CD1-CG1 4.11Å; L98-V157 HydrophobicContact CD1-CG2 4.04Å; L121-V157 HydrophobicContact CD2-CG1 3.97Å; L124-V157 HydrophobicContact CD1-CG1 4.08Å; C152-V157 HydrophobicContact CB-CB 4.44Å; C152-V157 HydrophobicContact CB-CG2 4.49Å; C152-V157 PolarHBondContact O-N 2.93Å; C152-V157 VanDerWaalsContact O-N 3.15Å; I155-V157 VanDerWaalsContact C-N 3.25Å; I155-V157 HydrophobicContact CD1-CG2 3.44Å; I155-V157 VanDerWaalsContact CD1-CG2 3.44Å; I155-V157 HydrophobicContact CG1-CG2 3.78Å; I155-V157 PolarHBondContact O-N 3.28Å; V157-L159 PolarHBondContact O-N 3.11Å; V157-L159 VanDerWaalsContact O-N 3.14Å; V157-W160 HydrophobicContact CG1-CD2 4.41Å; V157-W160 HydrophobicContact CG1-CE3 4.12Å; V157-W160 HydrophobicContact CG1-CZ3 4.48Å; V157-W160 VanDerWaalsContact O-CB 3.26Å; V157-W160 WeakPolarHBondContact O-CB 3.18Å; V157-W160 VanDerWaalsContact O-CG 3.24Å; V157-W160 PolarHBondContact O-N 3.49Å |
| 158 | F | 92.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -68.3 | -9 | -178 | -63.9 | -69.6 | 0 | 0 | 0 | 114.5 | L121 I125 I128 I149 C152 D156 W160 C161 F173 M176 M202 V206 | L121-F158 HydrophobicContact CD2-CD1 4.26Å; I125-F158 HydrophobicContact CG1-CD1 4.49Å; I125-F158 HydrophobicContact CG1-CE1 3.83Å; I128-F158 HydrophobicContact CD1-CE2 4.3Å; I128-F158 HydrophobicContact CD1-CZ 3.85Å; I149-F158 HydrophobicContact CD1-CE2 4.46Å; C152-F158 HydrophobicContact CB-CD2 4.24Å; C152-F158 HydrophobicContact CB-CE2 3.65Å; C152-F158 HydrophobicContact CB-CZ 4.33Å; D156-F158 PolarHBondContact O-N 3.12Å; F158-W160 PolarHBondContact O-N 3.43Å; F158-C161 VanDerWaalsContact O-CB 3.25Å; F158-C161 WeakPolarHBondContact O-CB 3.47Å; F158-C161 PolarHBondContact O-N 3Å; F158-C161 PolarHBondContact O-SG 3.36Å; F158-F173 HydrophobicContact CB-CD2 3.85Å; F158-F173 HydrophobicContact CB-CE2 3.55Å; F158-F173 HydrophobicContact CB-CZ 4.15Å; F158-F173 AromaticContact CD1-CD2 3.48Å; F158-F173 HydrophobicContact CD1-CD2 3.48Å; F158-F173 VanDerWaalsContact CD1-CD2 3.48Å; F158-F173 AromaticContact CD1-CE2 3.86Å; F158-F173 HydrophobicContact CD1-CE2 3.86Å; F158-F173 HydrophobicContact CD1-CG 4.46Å; F158-F173 HydrophobicContact CD2-CD2 4.2Å; F158-F173 AromaticContact CD2-CE2 3.72Å; F158-F173 HydrophobicContact CD2-CE2 3.72Å; F158-F173 HydrophobicContact CE1-CD2 4Å; F158-F173 HydrophobicContact CE1-CE2 4.46Å; F158-F173 HydrophobicContact CE2-CE2 4.32Å; F158-F173 AromaticContact CG-CD2 3.58Å; F158-F173 HydrophobicContact CG-CD2 3.58Å; F158-F173 AromaticContact CG-CE2 3.43Å; F158-F173 HydrophobicContact CG-CE2 3.43Å; F158-F173 VanDerWaalsContact CG-CE2 3.43Å; F158-F173 HydrophobicContact CG-CZ 4.45Å; F158-M176 HydrophobicContact CZ-CE 4.46Å; F158-M176 HydrophobicContact CZ-SD 4.24Å; F158-M202 HydrophobicContact CD2-CE 4.38Å; F158-M202 HydrophobicContact CD2-CG 4.27Å; F158-M202 HydrophobicContact CD2-SD 3.51Å; F158-M202 VanDerWaalsContact CD2-SD 3.51Å; F158-M202 HydrophobicContact CE2-SD 3.86Å; F158-V206 HydrophobicContact CB-CG2 3.81Å; F158-V206 WeakPolarHBondContact O-CG2 3.44Å |
| 159 | L | 89.9 | Confident | 89.1 | Confident | 32 Ų | 32 | 38 Ų | 38 | 17% | 0.168 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -60.3 | -24.6 | 167.4 | -69.8 | -177 | 0 | 0 | 0 | 112.3 | D156 V157 C161 S162 K205 V206 Q209 | D156-L159 HydrophobicContact CB-CD1 3.75Å; D156-L159 HydrophobicContact CB-CG 4.02Å; D156-L159 WeakPolarHBondContact O-CB 3.49Å; D156-L159 WeakPolarHBondContact O-CG 3.48Å; D156-L159 PolarHBondContact O-N 3.37Å; V157-L159 PolarHBondContact O-N 3.11Å; V157-L159 VanDerWaalsContact O-N 3.14Å; L159-C161 PolarHBondContact O-N 3.23Å; L159-C161 VanDerWaalsContact O-N 3.09Å; L159-S162 WeakPolarHBondContact O-CB 3.28Å; L159-S162 PolarHBondContact O-N 3.22Å; L159-S162 PolarHBondContact O-OG 3.2Å; L159-K205 HydrophobicContact CD2-CB 3.87Å; L159-V206 HydrophobicContact CD2-CG2 4.02Å; L159-Q209 HydrophobicContact CD2-CB 4.43Å; L159-Q209 VanDerWaalsContact CD2-CD 3.5Å; L159-Q209 HydrophobicContact CD2-CG 4.18Å; L159-Q209 VanDerWaalsContact CD2-OE1 3.27Å |
| 160 | W | 89.8 | Confident | 89 | Confident | 48 Ų | 48 | 38.1 Ų | 38.1 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.2 | -18.7 | 172.3 | -66.8 | -0.8 | 0 | 0 | 0 | 113.6 | L98 N105 T117 L121 V157 F158 S162 F163 L164 | L98-W160 HydrophobicContact CD2-CH2 3.43Å; L98-W160 VanDerWaalsContact CD2-CH2 3.43Å; L98-W160 HydrophobicContact CD2-CZ2 4.18Å; L98-W160 HydrophobicContact CD2-CZ3 4.09Å; N105-W160 HydrophobicContact CB-CZ2 4.36Å; N105-W160 WeakPolarHBondContact OD1-CZ2 3.48Å; T117-W160 HydrophobicContact CG2-CB 4.05Å; T117-W160 HydrophobicContact CG2-CD2 4.19Å; T117-W160 HydrophobicContact CG2-CE3 3.74Å; T117-W160 HydrophobicContact CG2-CG 4.38Å; T117-W160 HydrophobicContact CG2-CZ3 4.42Å; L121-W160 HydrophobicContact CD1-CB 3.79Å; L121-W160 HydrophobicContact CD2-CB 4.34Å; L121-W160 HydrophobicContact CD2-CE3 4.31Å; L121-W160 HydrophobicContact CG-CB 4.42Å; L121-W160 HydrophobicContact CG-CE3 4.45Å; V157-W160 HydrophobicContact CG1-CD2 4.41Å; V157-W160 HydrophobicContact CG1-CE3 4.12Å; V157-W160 HydrophobicContact CG1-CZ3 4.48Å; V157-W160 VanDerWaalsContact O-CB 3.26Å; V157-W160 WeakPolarHBondContact O-CB 3.18Å; V157-W160 VanDerWaalsContact O-CG 3.24Å; V157-W160 PolarHBondContact O-N 3.49Å; F158-W160 PolarHBondContact O-N 3.43Å; W160-S162 PolarHBondContact O-N 2.69Å; W160-F163 PolarHBondContact O-N 2.81Å; W160-L164 PolarHBondContact O-N 3.24Å; W160-L164 VanDerWaalsContact O-N 3.1Å |
| 161 | C | 88.5 | Confident | 89.1 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57 | -33.8 | 169.5 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | F158 L159 V206 | F158-C161 VanDerWaalsContact O-CB 3.25Å; F158-C161 WeakPolarHBondContact O-CB 3.47Å; F158-C161 PolarHBondContact O-N 3Å; F158-C161 PolarHBondContact O-SG 3.36Å; L159-C161 PolarHBondContact O-N 3.23Å; L159-C161 VanDerWaalsContact O-N 3.09Å; C161-V206 HydrophobicContact CB-CG1 4.15Å |
| 162 | S | 85 | Confident | 89.1 | Confident | 25 Ų | 25 | 36.3 Ų | 36.3 | 18% | 0.175 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -74 | -40.7 | 176.4 | 68 | 0 | 0 | 0 | 0 | 112.3 | L159 W160 L164 E165 Q209 | L159-S162 WeakPolarHBondContact O-CB 3.28Å; L159-S162 PolarHBondContact O-N 3.22Å; L159-S162 PolarHBondContact O-OG 3.2Å; W160-S162 PolarHBondContact O-N 2.69Å; S162-L164 VanDerWaalsContact C-N 3.33Å; S162-L164 PolarHBondContact O-N 2.79Å; S162-E165 PolarHBondContact O-N 2.87Å; S162-Q209 WeakPolarHBondContact CB-O 3.47Å |
| 163 | F | 84.4 | Confident | 89.2 | Confident | 92 Ų | 92 | 36.4 Ų | 36.4 | 40% | 0.404 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.8 | -32 | 178.5 | 171.8 | -102.8 | 0 | 0 | 0 | 113.6 | E113 K114 W160 E165 | E113-F163 HydrophobicContact CG-CE1 4.22Å; E113-F163 HydrophobicContact CG-CZ 4.32Å; K114-F163 VanDerWaalsContact CE-O 3.27Å; K114-F163 WeakPolarHBondContact CE-O 3.42Å; K114-F163 HydrophobicContact CG-CE1 4.22Å; K114-F163 PolarHBondContact NZ-O 3.4Å; W160-F163 PolarHBondContact O-N 2.81Å; F163-E165 VanDerWaalsContact C-N 3.3Å; F163-E165 PolarHBondContact O-N 3.31Å |
| 164 | L | 85.2 | Confident | 89.5 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 7% | 0.068 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.7 | -29.6 | 176.5 | -73.8 | -177.2 | 0 | 0 | 0 | 113.3 | K114 T117 K118 L121 W160 S162 D166 V169 | K114-L164 HydrophobicContact CB-CD2 4.01Å; K114-L164 HydrophobicContact CG-CD2 4.19Å; K114-L164 PolarHBondContact NZ-O 3.2Å; K114-L164 VanDerWaalsContact NZ-O 3.1Å; K114-L164 WeakPolarHBondContact O-CD2 3.44Å; T117-L164 HydrophobicContact CG2-CD1 4.2Å; T117-L164 HydrophobicContact CG2-CD2 3.75Å; T117-L164 HydrophobicContact CG2-CG 3.96Å; K118-L164 HydrophobicContact CB-CD1 3.81Å; K118-L164 HydrophobicContact CB-CD2 4.26Å; K118-L164 HydrophobicContact CG-CD1 4.32Å; L121-L164 HydrophobicContact CD1-CD1 3.73Å; W160-L164 PolarHBondContact O-N 3.24Å; W160-L164 VanDerWaalsContact O-N 3.1Å; S162-L164 VanDerWaalsContact C-N 3.33Å; S162-L164 PolarHBondContact O-N 2.79Å; L164-D166 HydrophobicContact CB-CB 4.14Å; L164-D166 PolarHBondContact O-N 3.41Å; L164-V169 HydrophobicContact CD1-CB 4.41Å; L164-V169 HydrophobicContact CD1-CG1 4.21Å; L164-V169 HydrophobicContact CD1-CG2 3.91Å |
| 165 | E | 81.3 | Confident | 89.8 | Confident | 121 Ų | 121 | 35.7 Ų | 35.7 | 57% | 0.565 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 28.9 | -173.4 | -51 | 178 | 103.3 | 0 | 0 | 112.7 | K114 S162 F163 F213 | K114-E165 IonicContact NZ-OE2 3.97Å; K114-E165 PolarHBondContact NZ-OE2 3.27Å; S162-E165 PolarHBondContact O-N 2.87Å; F163-E165 VanDerWaalsContact C-N 3.3Å; F163-E165 PolarHBondContact O-N 3.31Å; E165-F213 HydrophobicContact CB-CE1 3.71Å; E165-F213 HydrophobicContact CB-CE2 4.25Å; E165-F213 HydrophobicContact CB-CZ 3.48Å; E165-F213 VanDerWaalsContact CB-CZ 3.48Å; E165-F213 HydrophobicContact CG-CE1 4.33Å; E165-F213 HydrophobicContact CG-CE2 4.19Å; E165-F213 HydrophobicContact CG-CZ 3.6Å |
| 166 | D | 85.5 | Confident | 90 | Very high | 40 Ų | 40 | 34.4 Ų | 34.4 | 21% | 0.214 | 17% | 0.173 | C | C | . | . | trans | -118.8 | 109.3 | -171.9 | -169.5 | -35.2 | 0 | 0 | 0 | 112.2 | K118 L164 S168 V169 L170 | K118-D166 WeakPolarHBondContact CE-OD2 3.49Å; K118-D166 IonicContact NZ-OD2 3.79Å; K118-D166 PolarHBondContact NZ-OD2 3.48Å; L164-D166 HydrophobicContact CB-CB 4.14Å; L164-D166 PolarHBondContact O-N 3.41Å; D166-S168 VanDerWaalsContact C-N 3.25Å; D166-S168 PolarHBondContact O-N 3.48Å; D166-S168 VanDerWaalsContact OD1-CB 3.29Å; D166-S168 WeakPolarHBondContact OD1-CB 3.41Å; D166-S168 PolarHBondContact OD1-N 3.33Å; D166-S168 PolarHBondContact OD1-OG 2.98Å; D166-V169 HydrophobicContact CB-CG2 4.02Å; D166-V169 PolarHBondContact O-N 3.46Å; D166-L170 PolarHBondContact O-N 2.68Å | ||
| 167 | E | 86.1 | Confident | 90.2 | Very high | 78 Ų | 78 | 32.5 Ų | 32.5 | 36% | 0.364 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.1 | -35.5 | 178.5 | -171 | -169.8 | 146.5 | 0 | 0 | 112.9 | V169 L170 F171 S215 V218 | E167-V169 PolarHBondContact O-N 2.85Å; E167-L170 PolarHBondContact O-N 2.68Å; E167-F171 WeakPolarHBondContact O-CB 3.48Å; E167-F171 PolarHBondContact O-N 3.3Å; E167-S215 WeakPolarHBondContact OE1-CB 3.34Å; E167-S215 PolarHBondContact OE1-OG 2.91Å; E167-S215 WeakPolarHBondContact OE2-CB 3.34Å; E167-V218 HydrophobicContact CG-CG2 4.44Å |
| 168 | S | 90 | Very high | 90.5 | Very high | 53 Ų | 53 | 32.3 Ų | 32.3 | 37% | 0.371 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65 | -31.5 | -176.2 | 72 | 0 | 0 | 0 | 0 | 112.2 | D166 S172 | D166-S168 VanDerWaalsContact C-N 3.25Å; D166-S168 PolarHBondContact O-N 3.48Å; D166-S168 VanDerWaalsContact OD1-CB 3.29Å; D166-S168 WeakPolarHBondContact OD1-CB 3.41Å; D166-S168 PolarHBondContact OD1-N 3.33Å; D166-S168 PolarHBondContact OD1-OG 2.98Å; S168-S172 VanDerWaalsContact O-CB 3.29Å; S168-S172 WeakPolarHBondContact O-CB 3.4Å; S168-S172 PolarHBondContact O-N 2.95Å; S168-S172 PolarHBondContact O-OG 3.34Å |
| 169 | V | 91.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -74.5 | -48.2 | 175 | -172 | 0 | 0 | 0 | 0 | 110 | K118 L121 F122 I125 L164 D166 E167 F171 S172 F173 | K118-V169 HydrophobicContact CD-CG2 4.42Å; K118-V169 HydrophobicContact CG-CG2 3.99Å; L121-V169 HydrophobicContact CB-CG1 4.06Å; L121-V169 HydrophobicContact CD1-CG1 3.87Å; F122-V169 HydrophobicContact CD2-CG2 4.34Å; F122-V169 HydrophobicContact CE2-CG2 3.64Å; F122-V169 HydrophobicContact CZ-CG2 3.91Å; I125-V169 HydrophobicContact CD1-CG1 4.18Å; L164-V169 HydrophobicContact CD1-CB 4.41Å; L164-V169 HydrophobicContact CD1-CG1 4.21Å; L164-V169 HydrophobicContact CD1-CG2 3.91Å; D166-V169 HydrophobicContact CB-CG2 4.02Å; D166-V169 PolarHBondContact O-N 3.46Å; E167-V169 PolarHBondContact O-N 2.85Å; V169-F171 PolarHBondContact O-N 3.42Å; V169-S172 PolarHBondContact O-N 3.42Å; V169-F173 PolarHBondContact O-N 2.91Å |
| 170 | L | 92.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.9 | -46.2 | 177.8 | 178.7 | 62.8 | 0 | 0 | 0 | 112 | D166 E167 S172 F173 V174 V206 F213 L214 | D166-L170 PolarHBondContact O-N 2.68Å; E167-L170 PolarHBondContact O-N 2.68Å; L170-S172 VanDerWaalsContact C-N 3.33Å; L170-S172 PolarHBondContact O-N 2.91Å; L170-F173 WeakPolarHBondContact O-CB 3.39Å; L170-F173 PolarHBondContact O-N 3.44Å; L170-V174 WeakPolarHBondContact O-CG2 3.46Å; L170-V174 PolarHBondContact O-N 3.03Å; L170-V206 HydrophobicContact CD1-CG1 3.74Å; L170-F213 HydrophobicContact CD2-CB 4.08Å; L170-L214 HydrophobicContact CD2-CD2 4.23Å |
| 171 | F | 93.7 | Very high | 90.9 | Very high | 33 Ų | 33 | 30.1 Ų | 30.1 | 15% | 0.145 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.6 | -36.1 | 179.2 | -165.8 | -174.6 | 0 | 0 | 0 | 111.7 | E167 V169 V174 K175 D217 V218 F221 | E167-F171 WeakPolarHBondContact O-CB 3.48Å; E167-F171 PolarHBondContact O-N 3.3Å; V169-F171 PolarHBondContact O-N 3.42Å; F171-V174 PolarHBondContact O-N 3.04Å; F171-K175 VanDerWaalsContact CD1-NZ 3.31Å; F171-K175 HydrophobicContact CD2-CD 3.97Å; F171-K175 HydrophobicContact CD2-CG 4.1Å; F171-K175 HydrophobicContact CE2-CD 4.07Å; F171-K175 HydrophobicContact CE2-CG 4.15Å; F171-K175 HydrophobicContact CG-CD 4.4Å; F171-K175 VanDerWaalsContact CZ-CE 3.47Å; F171-K175 WeakPolarHBondContact O-CB 3.33Å; F171-K175 WeakPolarHBondContact O-CG 3.21Å; F171-K175 PolarHBondContact O-N 2.91Å; F171-D217 HydrophobicContact CE1-CB 3.86Å; F171-D217 HydrophobicContact CZ-CB 4.17Å; F171-V218 HydrophobicContact CB-CG2 3.78Å; F171-V218 HydrophobicContact CD1-CG2 4.39Å; F171-V218 HydrophobicContact CD2-CG2 3.93Å; F171-V218 HydrophobicContact CG-CG2 3.82Å; F171-F221 HydrophobicContact CE2-CB 3.61Å; F171-F221 HydrophobicContact CE2-CD1 4.24Å; F171-F221 HydrophobicContact CE2-CD2 4.14Å; F171-F221 AromaticContact CE2-CG 3.74Å; F171-F221 HydrophobicContact CE2-CG 3.74Å; F171-F221 HydrophobicContact CZ-CB 4.07Å; F171-F221 HydrophobicContact CZ-CG 4.44Å |
| 172 | S | 93.9 | Very high | 91 | Very high | 35 Ų | 35 | 35.1 Ų | 35.1 | 25% | 0.245 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.6 | -38.2 | 176.3 | -59.3 | 0 | 0 | 0 | 0 | 112 | S168 V169 L170 K175 M176 | S168-S172 VanDerWaalsContact O-CB 3.29Å; S168-S172 WeakPolarHBondContact O-CB 3.4Å; S168-S172 PolarHBondContact O-N 2.95Å; S168-S172 PolarHBondContact O-OG 3.34Å; V169-S172 PolarHBondContact O-N 3.42Å; L170-S172 VanDerWaalsContact C-N 3.33Å; L170-S172 PolarHBondContact O-N 2.91Å; S172-K175 PolarHBondContact O-N 2.89Å; S172-M176 WeakPolarHBondContact O-CB 3.43Å; S172-M176 PolarHBondContact O-N 3.17Å |
| 173 | F | 94.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -49 | 169.6 | 166.2 | -100.5 | 0 | 0 | 0 | 111.7 | I125 F158 V169 L170 K175 M176 V177 M202 V206 | I125-F173 HydrophobicContact CD1-CB 4.09Å; F158-F173 HydrophobicContact CB-CD2 3.85Å; F158-F173 HydrophobicContact CB-CE2 3.55Å; F158-F173 HydrophobicContact CB-CZ 4.15Å; F158-F173 AromaticContact CD1-CD2 3.48Å; F158-F173 HydrophobicContact CD1-CD2 3.48Å; F158-F173 VanDerWaalsContact CD1-CD2 3.48Å; F158-F173 AromaticContact CD1-CE2 3.86Å; F158-F173 HydrophobicContact CD1-CE2 3.86Å; F158-F173 HydrophobicContact CD1-CG 4.46Å; F158-F173 HydrophobicContact CD2-CD2 4.2Å; F158-F173 AromaticContact CD2-CE2 3.72Å; F158-F173 HydrophobicContact CD2-CE2 3.72Å; F158-F173 HydrophobicContact CE1-CD2 4Å; F158-F173 HydrophobicContact CE1-CE2 4.46Å; F158-F173 HydrophobicContact CE2-CE2 4.32Å; F158-F173 AromaticContact CG-CD2 3.58Å; F158-F173 HydrophobicContact CG-CD2 3.58Å; F158-F173 AromaticContact CG-CE2 3.43Å; F158-F173 HydrophobicContact CG-CE2 3.43Å; F158-F173 VanDerWaalsContact CG-CE2 3.43Å; F158-F173 HydrophobicContact CG-CZ 4.45Å; V169-F173 PolarHBondContact O-N 2.91Å; L170-F173 WeakPolarHBondContact O-CB 3.39Å; L170-F173 PolarHBondContact O-N 3.44Å; F173-K175 PolarHBondContact O-N 3.4Å; F173-M176 HydrophobicContact CD2-CE 3.95Å; F173-M176 HydrophobicContact CE2-CE 4.09Å; F173-M176 WeakPolarHBondContact O-CB 3.34Å; F173-M176 PolarHBondContact O-N 3Å; F173-M176 VanDerWaalsContact O-N 3.17Å; F173-V177 HydrophobicContact CD2-CG2 4.26Å; F173-V177 HydrophobicContact CE1-CG2 4.08Å; F173-V177 HydrophobicContact CE2-CG2 3.78Å; F173-V177 HydrophobicContact CZ-CG2 3.68Å; F173-V177 WeakPolarHBondContact O-CG2 3.41Å; F173-V177 PolarHBondContact O-N 3.15Å; F173-M202 HydrophobicContact CE2-CE 3.82Å; F173-M202 HydrophobicContact CE2-CG 4.49Å; F173-M202 HydrophobicContact CE2-SD 4.37Å; F173-M202 HydrophobicContact CZ-CE 4.06Å; F173-M202 HydrophobicContact CZ-CG 4.33Å; F173-V206 HydrophobicContact CD1-CB 4.4Å; F173-V206 HydrophobicContact CD1-CG1 3.84Å; F173-V206 HydrophobicContact CE1-CB 3.7Å; F173-V206 HydrophobicContact CE1-CG1 3.65Å; F173-V206 HydrophobicContact CE1-CG2 3.95Å; F173-V206 HydrophobicContact CZ-CB 4.13Å; F173-V206 HydrophobicContact CZ-CG1 4.39Å; F173-V206 HydrophobicContact CZ-CG2 3.87Å |
| 174 | V | 94.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 177.8 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L170 F171 M176 V177 F178 V218 F221 I222 | L170-V174 WeakPolarHBondContact O-CG2 3.46Å; L170-V174 PolarHBondContact O-N 3.03Å; F171-V174 PolarHBondContact O-N 3.04Å; V174-M176 VanDerWaalsContact C-N 3.34Å; V174-M176 PolarHBondContact O-N 3.5Å; V174-V177 PolarHBondContact O-N 3.42Å; V174-F178 HydrophobicContact CG1-CD2 3.97Å; V174-F178 HydrophobicContact CG1-CE2 4.16Å; V174-F178 WeakPolarHBondContact O-CD2 3.45Å; V174-F178 PolarHBondContact O-N 3.11Å; V174-V218 HydrophobicContact CG2-CG1 4.25Å; V174-F221 HydrophobicContact CG1-CD1 3.9Å; V174-F221 HydrophobicContact CG1-CE1 4.05Å; V174-I222 HydrophobicContact CG1-CD1 4.48Å; V174-I222 HydrophobicContact CG1-CG1 4.22Å |
| 175 | K | 95.3 | Very high | 91.5 | Very high | 87 Ų | 87 | 37.3 Ų | 37.3 | 38% | 0.378 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.9 | -43.6 | 173.9 | -79.1 | 163.7 | 171.7 | 153 | 0 | 112.2 | F171 S172 F173 F178 A179 F221 | F171-K175 VanDerWaalsContact CD1-NZ 3.31Å; F171-K175 HydrophobicContact CD2-CD 3.97Å; F171-K175 HydrophobicContact CD2-CG 4.1Å; F171-K175 HydrophobicContact CE2-CD 4.07Å; F171-K175 HydrophobicContact CE2-CG 4.15Å; F171-K175 HydrophobicContact CG-CD 4.4Å; F171-K175 VanDerWaalsContact CZ-CE 3.47Å; F171-K175 WeakPolarHBondContact O-CB 3.33Å; F171-K175 WeakPolarHBondContact O-CG 3.21Å; F171-K175 PolarHBondContact O-N 2.91Å; S172-K175 PolarHBondContact O-N 2.89Å; F173-K175 PolarHBondContact O-N 3.4Å; K175-F178 PolarHBondContact O-N 3.39Å; K175-A179 WeakPolarHBondContact O-CB 3.31Å; K175-A179 PolarHBondContact O-N 3.01Å; K175-F221 HydrophobicContact CB-CZ 4.4Å; K175-F221 HydrophobicContact CG-CD2 4.45Å; K175-F221 HydrophobicContact CG-CE1 4.12Å; K175-F221 HydrophobicContact CG-CE2 3.95Å; K175-F221 HydrophobicContact CG-CZ 3.77Å |
| 176 | M | 94.9 | Very high | 91.8 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 4% | 0.039 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63 | -47.2 | 176.1 | 176.8 | -135.3 | 65.9 | 0 | 0 | 111.9 | I125 I128 F158 S172 F173 V174 F178 A179 I180 | I125-M176 HydrophobicContact CG2-CB 3.85Å; I125-M176 HydrophobicContact CG2-CG 4.28Å; I125-M176 HydrophobicContact CG2-SD 4.49Å; I128-M176 HydrophobicContact CB-SD 3.88Å; I128-M176 HydrophobicContact CG2-CE 4.32Å; I128-M176 HydrophobicContact CG2-CG 4.3Å; I128-M176 HydrophobicContact CG2-SD 3.51Å; I128-M176 VanDerWaalsContact CG2-SD 3.51Å; F158-M176 HydrophobicContact CZ-CE 4.46Å; F158-M176 HydrophobicContact CZ-SD 4.24Å; S172-M176 WeakPolarHBondContact O-CB 3.43Å; S172-M176 PolarHBondContact O-N 3.17Å; F173-M176 HydrophobicContact CD2-CE 3.95Å; F173-M176 HydrophobicContact CE2-CE 4.09Å; F173-M176 WeakPolarHBondContact O-CB 3.34Å; F173-M176 PolarHBondContact O-N 3Å; F173-M176 VanDerWaalsContact O-N 3.17Å; V174-M176 VanDerWaalsContact C-N 3.34Å; V174-M176 PolarHBondContact O-N 3.5Å; M176-F178 VanDerWaalsContact C-N 3.33Å; M176-F178 PolarHBondContact O-N 2.94Å; M176-A179 PolarHBondContact O-N 3.18Å; M176-A179 VanDerWaalsContact O-N 3.11Å; M176-I180 HydrophobicContact CE-CD1 4.37Å; M176-I180 HydrophobicContact CG-CG2 4.4Å; M176-I180 WeakPolarHBondContact O-CG2 3.34Å; M176-I180 PolarHBondContact O-N 3.45Å |
| 177 | V | 95.7 | Very high | 92 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -54.6 | -50.3 | 175.9 | 168.7 | 0 | 0 | 0 | 0 | 110.5 | F173 V174 A179 I180 V181 I199 M202 A203 F240 | F173-V177 HydrophobicContact CD2-CG2 4.26Å; F173-V177 HydrophobicContact CE1-CG2 4.08Å; F173-V177 HydrophobicContact CE2-CG2 3.78Å; F173-V177 HydrophobicContact CZ-CG2 3.68Å; F173-V177 WeakPolarHBondContact O-CG2 3.41Å; F173-V177 PolarHBondContact O-N 3.15Å; V174-V177 PolarHBondContact O-N 3.42Å; V177-A179 VanDerWaalsContact C-N 3.32Å; V177-A179 PolarHBondContact O-N 3Å; V177-I180 WeakPolarHBondContact O-CG1 3.32Å; V177-I180 PolarHBondContact O-N 3.22Å; V177-V181 WeakPolarHBondContact O-CB 3.47Å; V177-V181 WeakPolarHBondContact O-CG2 3.37Å; V177-V181 PolarHBondContact O-N 2.97Å; V177-V181 VanDerWaalsContact O-N 3.15Å; V177-I199 HydrophobicContact CG1-CG2 3.81Å; V177-M202 HydrophobicContact CG2-CE 4.07Å; V177-A203 HydrophobicContact CG1-CB 4.3Å; V177-F240 HydrophobicContact CG1-CD1 4.33Å; V177-F240 HydrophobicContact CG1-CE1 3.36Å; V177-F240 HydrophobicContact CG1-CE2 4.35Å; V177-F240 HydrophobicContact CG1-CZ 3.38Å |
| 178 | F | 95.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.6 | -32.2 | 178.4 | -87.6 | -89 | 0 | 0 | 0 | 113.4 | V174 K175 M176 F221 I222 Y225 Q237 F240 A241 L244 | V174-F178 HydrophobicContact CG1-CD2 3.97Å; V174-F178 HydrophobicContact CG1-CE2 4.16Å; V174-F178 WeakPolarHBondContact O-CD2 3.45Å; V174-F178 PolarHBondContact O-N 3.11Å; K175-F178 PolarHBondContact O-N 3.39Å; M176-F178 VanDerWaalsContact C-N 3.33Å; M176-F178 PolarHBondContact O-N 2.94Å; F178-F221 HydrophobicContact CB-CE1 3.94Å; F178-F221 HydrophobicContact CB-CZ 4.12Å; F178-F221 AromaticContact CD2-CE1 3.87Å; F178-F221 HydrophobicContact CD2-CE1 3.87Å; F178-F221 AromaticContact CG-CE1 3.93Å; F178-F221 HydrophobicContact CG-CE1 3.93Å; F178-I222 HydrophobicContact CE2-CG1 4.19Å; F178-I222 HydrophobicContact CZ-CG2 4.43Å; F178-Y225 HydrophobicContact CB-CE2 4.34Å; F178-Y225 HydrophobicContact CD1-CD1 4.31Å; F178-Y225 AromaticContact CD1-CD2 3.61Å; F178-Y225 HydrophobicContact CD1-CD2 3.61Å; F178-Y225 HydrophobicContact CD1-CE1 4.1Å; F178-Y225 AromaticContact CD1-CE2 3.36Å; F178-Y225 HydrophobicContact CD1-CE2 3.36Å; F178-Y225 HydrophobicContact CD1-CG 4.09Å; F178-Y225 AromaticContact CD1-CZ 3.64Å; F178-Y225 HydrophobicContact CE1-CD1 4.41Å; F178-Y225 AromaticContact CE1-CD2 3.46Å; F178-Y225 HydrophobicContact CE1-CD2 3.46Å; F178-Y225 VanDerWaalsContact CE1-CD2 3.46Å; F178-Y225 AromaticContact CE1-CE2 3.75Å; F178-Y225 HydrophobicContact CE1-CE2 3.75Å; F178-Y225 AromaticContact CE1-CG 3.84Å; F178-Y225 HydrophobicContact CE1-CG 3.84Å; F178-Y225 HydrophobicContact CG-CD2 4.44Å; F178-Y225 AromaticContact CG-CE2 3.89Å; F178-Y225 HydrophobicContact CG-CE2 3.89Å; F178-Y225 HydrophobicContact CZ-CD2 4.19Å; F178-Q237 HydrophobicContact CD1-CB 4.15Å; F178-Q237 PolarHBondContact O-NE2 3.4Å; F178-F240 HydrophobicContact CE1-CD1 4.24Å; F178-F240 HydrophobicContact CE2-CD1 4.18Å; F178-F240 HydrophobicContact CE2-CE1 4.38Å; F178-F240 AromaticContact CZ-CD1 3.94Å; F178-F240 HydrophobicContact CZ-CD1 3.94Å; F178-A241 HydrophobicContact CE1-CB 3.85Å; F178-A241 HydrophobicContact CZ-CB 3.83Å; F178-L244 HydrophobicContact CE2-CD2 4.12Å; F178-L244 HydrophobicContact CZ-CD2 4.4Å |
| 179 | A | 94.1 | Very high | 92 | Very high | 33 Ų | 33 | 29.1 Ų | 29.1 | 27% | 0.273 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -70.3 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S132 K175 M176 V177 K182 | S132-A179 WeakPolarHBondContact CB-O 3.27Å; K175-A179 WeakPolarHBondContact O-CB 3.31Å; K175-A179 PolarHBondContact O-N 3.01Å; M176-A179 PolarHBondContact O-N 3.18Å; M176-A179 VanDerWaalsContact O-N 3.11Å; V177-A179 VanDerWaalsContact C-N 3.32Å; V177-A179 PolarHBondContact O-N 3Å; A179-K182 WeakPolarHBondContact O-CB 3.21Å; A179-K182 PolarHBondContact O-N 3.04Å |
| 180 | I | 93.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.8 | -33.8 | -177.5 | 69.8 | 176.7 | 0 | 0 | 0 | 112.2 | I128 L131 M176 V177 K182 W187 I199 | I128-I180 HydrophobicContact CG2-CD1 4.2Å; I128-I180 WeakPolarHBondContact O-CG2 3.41Å; L131-I180 HydrophobicContact CB-CB 4.12Å; L131-I180 HydrophobicContact CB-CG2 3.8Å; M176-I180 HydrophobicContact CE-CD1 4.37Å; M176-I180 HydrophobicContact CG-CG2 4.4Å; M176-I180 WeakPolarHBondContact O-CG2 3.34Å; M176-I180 PolarHBondContact O-N 3.45Å; V177-I180 WeakPolarHBondContact O-CG1 3.32Å; V177-I180 PolarHBondContact O-N 3.22Å; I180-K182 PolarHBondContact O-N 3.06Å; I180-W187 HydrophobicContact CB-CZ2 3.82Å; I180-W187 HydrophobicContact CD1-CH2 4.37Å; I180-W187 HydrophobicContact CD1-CZ2 4.32Å; I180-W187 HydrophobicContact CG1-CZ2 4.13Å; I180-W187 WeakPolarHBondContact O-CZ2 3.46Å; I180-W187 PolarHBondContact O-NE1 3.48Å; I180-I199 HydrophobicContact CD1-CD1 4.23Å |
| 181 | V | 93.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.6 | -28.6 | 176.4 | 164 | 0 | 0 | 0 | 0 | 112.6 | V177 N183 L184 I199 A236 Q237 F240 | V177-V181 WeakPolarHBondContact O-CB 3.47Å; V177-V181 WeakPolarHBondContact O-CG2 3.37Å; V177-V181 PolarHBondContact O-N 2.97Å; V177-V181 VanDerWaalsContact O-N 3.15Å; V181-N183 VanDerWaalsContact C-N 3.29Å; V181-N183 PolarHBondContact O-N 2.93Å; V181-L184 WeakPolarHBondContact O-CB 3.12Å; V181-L184 PolarHBondContact O-N 3.45Å; V181-I199 HydrophobicContact CG2-CG2 4.11Å; V181-A236 HydrophobicContact CG1-CB 4.45Å; V181-Q237 HydrophobicContact CG1-CG 4.32Å; V181-F240 HydrophobicContact CG1-CB 3.92Å; V181-F240 HydrophobicContact CG1-CD2 4.2Å; V181-F240 HydrophobicContact CG1-CG 4.15Å; V181-F240 HydrophobicContact CG2-CD2 3.78Å; V181-F240 HydrophobicContact CG2-CE2 3.94Å; V181-F240 HydrophobicContact CG2-CG 4.17Å; V181-F240 HydrophobicContact CG2-CZ 4.46Å |
| 182 | K | 90.3 | Very high | 91.4 | Very high | 106 Ų | 106 | 36.9 Ų | 36.9 | 46% | 0.461 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -39.9 | -176.3 | -177.1 | 174.1 | 176.8 | 177.5 | 0 | 114.6 | A179 I180 Q237 | A179-K182 WeakPolarHBondContact O-CB 3.21Å; A179-K182 PolarHBondContact O-N 3.04Å; I180-K182 PolarHBondContact O-N 3.06Å; K182-Q237 HydrophobicContact CB-CG 4.21Å; K182-Q237 VanDerWaalsContact CG-OE1 3.29Å |
| 183 | N | 86.8 | Confident | 91.2 | Very high | 53 Ų | 53 | 38 Ų | 38 | 28% | 0.283 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 26.9 | -175.2 | -65.8 | -21.8 | 0 | 0 | 0 | 111.4 | S132 V181 D185 V186 W187 | S132-N183 PolarHBondContact O-ND2 2.8Å; V181-N183 VanDerWaalsContact C-N 3.29Å; V181-N183 PolarHBondContact O-N 2.93Å; N183-D185 VanDerWaalsContact C-OD1 3.23Å; N183-D185 PolarHBondContact O-N 3.33Å; N183-V186 HydrophobicContact CB-CG2 4.2Å; N183-V186 VanDerWaalsContact O-CB 3.29Å; N183-V186 WeakPolarHBondContact O-CB 3.24Å; N183-V186 PolarHBondContact O-N 3.42Å; N183-W187 PolarHBondContact O-NE1 3.5Å |
| 184 | L | 90.2 | Very high | 91 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.8 | -32.5 | -171.3 | 178.9 | 61.4 | 0 | 0 | 0 | 113.6 | V181 V186 W187 S188 V195 R196 I199 | V181-L184 WeakPolarHBondContact O-CB 3.12Å; V181-L184 PolarHBondContact O-N 3.45Å; L184-V186 VanDerWaalsContact C-N 3.25Å; L184-V186 PolarHBondContact O-N 3.32Å; L184-W187 HydrophobicContact CD1-CD2 4.27Å; L184-W187 HydrophobicContact CD1-CE3 4.33Å; L184-W187 HydrophobicContact CD1-CH2 3.54Å; L184-W187 HydrophobicContact CD1-CZ2 3.43Å; L184-W187 VanDerWaalsContact CD1-CZ2 3.43Å; L184-W187 HydrophobicContact CD1-CZ3 3.97Å; L184-W187 PolarHBondContact O-N 3.1Å; L184-S188 VanDerWaalsContact O-CB 3.28Å; L184-S188 WeakPolarHBondContact O-CB 3.34Å; L184-S188 PolarHBondContact O-N 3.28Å; L184-V195 HydrophobicContact CD1-CB 4.14Å; L184-V195 HydrophobicContact CD1-CG1 3.76Å; L184-R196 HydrophobicContact CD2-CB 3.54Å; L184-R196 HydrophobicContact CD2-CG 4.1Å; L184-I199 HydrophobicContact CD1-CD1 4.07Å |
| 185 | D | 87.2 | Confident | 90.9 | Very high | 114 Ų | 114 | 42.7 Ų | 42.7 | 61% | 0.61 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -60.3 | -31.4 | 173.1 | 62.8 | -47.1 | 0 | 0 | 0 | 113.3 | N183 | N183-D185 VanDerWaalsContact C-OD1 3.23Å; N183-D185 PolarHBondContact O-N 3.33Å |
| 186 | V | 87.6 | Confident | 90.8 | Very high | 47 Ų | 47 | 41.6 Ų | 41.6 | 29% | 0.285 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.9 | -40 | 178.9 | -175 | 0 | 0 | 0 | 0 | 111.6 | K135 K137 N183 L184 | K135-V186 VanDerWaalsContact O-CG1 3.26Å; K135-V186 WeakPolarHBondContact O-CG1 3.36Å; K137-V186 WeakPolarHBondContact CE-O 3.35Å; N183-V186 HydrophobicContact CB-CG2 4.2Å; N183-V186 VanDerWaalsContact O-CB 3.29Å; N183-V186 WeakPolarHBondContact O-CB 3.24Å; N183-V186 PolarHBondContact O-N 3.42Å; L184-V186 VanDerWaalsContact C-N 3.25Å; L184-V186 PolarHBondContact O-N 3.32Å |
| 187 | W | 89.7 | Confident | 90.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -114.5 | -11.1 | -166.6 | 67.2 | -103.9 | 0 | 0 | 0 | 115.9 | L131 V134 Y142 I149 I180 N183 L184 W189 V195 I199 | L131-W187 HydrophobicContact CB-CD2 4.29Å; L131-W187 HydrophobicContact CB-CZ2 4.24Å; L131-W187 HydrophobicContact CD1-CE3 4.29Å; L131-W187 HydrophobicContact CD1-CH2 3.85Å; L131-W187 HydrophobicContact CD1-CZ2 4.15Å; L131-W187 HydrophobicContact CD1-CZ3 3.95Å; L131-W187 HydrophobicContact CD2-CD2 4.06Å; L131-W187 HydrophobicContact CD2-CE3 3.99Å; L131-W187 HydrophobicContact CD2-CG 4.41Å; L131-W187 HydrophobicContact CD2-CZ3 4.44Å; V134-W187 HydrophobicContact CB-CB 4.35Å; V134-W187 HydrophobicContact CG1-CB 4.09Å; Y142-W187 HydrophobicContact CD2-CB 4.34Å; Y142-W187 HydrophobicContact CE2-CB 4.14Å; Y142-W187 WeakPolarHBondContact CE2-O 3.37Å; Y142-W187 PolarHBondContact OH-O 3.07Å; I149-W187 HydrophobicContact CG2-CZ3 4.47Å; I180-W187 HydrophobicContact CB-CZ2 3.82Å; I180-W187 HydrophobicContact CD1-CH2 4.37Å; I180-W187 HydrophobicContact CD1-CZ2 4.32Å; I180-W187 HydrophobicContact CG1-CZ2 4.13Å; I180-W187 WeakPolarHBondContact O-CZ2 3.46Å; I180-W187 PolarHBondContact O-NE1 3.48Å; N183-W187 PolarHBondContact O-NE1 3.5Å; L184-W187 HydrophobicContact CD1-CD2 4.27Å; L184-W187 HydrophobicContact CD1-CE3 4.33Å; L184-W187 HydrophobicContact CD1-CH2 3.54Å; L184-W187 HydrophobicContact CD1-CZ2 3.43Å; L184-W187 VanDerWaalsContact CD1-CZ2 3.43Å; L184-W187 HydrophobicContact CD1-CZ3 3.97Å; L184-W187 PolarHBondContact O-N 3.1Å; W187-W189 HydrophobicContact CZ3-CE3 4.25Å; W187-W189 AromaticContact CZ3-CZ3 3.83Å; W187-W189 HydrophobicContact CZ3-CZ3 3.83Å; W187-W189 PolarHBondContact O-N 2.79Å; W187-V195 HydrophobicContact CH2-CG1 4.31Å; W187-V195 HydrophobicContact CZ3-CG1 4.17Å; W187-I199 HydrophobicContact CH2-CD1 3.82Å; W187-I199 HydrophobicContact CZ2-CD1 4.32Å |
| 188 | S | 88.4 | Confident | 90.6 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | trans | -54.7 | 135.8 | -179.3 | 70.5 | 0 | 0 | 0 | 0 | 112.9 | K137 L184 T190 S192 | K137-S188 WeakPolarHBondContact CE-O 3.21Å; K137-S188 PolarHBondContact NZ-O 3.47Å; L184-S188 VanDerWaalsContact O-CB 3.28Å; L184-S188 WeakPolarHBondContact O-CB 3.34Å; L184-S188 PolarHBondContact O-N 3.28Å; S188-T190 WeakPolarHBondContact CB-O 3.24Å; S188-T190 PolarHBondContact OG-O 3.43Å; S188-S192 PolarHBondContact OG-N 2.83Å | ||
| 189 | W | 88.2 | Confident | 90.5 | Very high | 68 Ų | 68 | 46.9 Ų | 46.9 | 26% | 0.258 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -74.4 | -41.3 | 179.6 | 52.2 | 100.6 | 0 | 0 | 0 | 112.7 | H146 I149 Y150 W187 V195 M198 | H146-W189 AromaticContact CD2-CD2 3.66Å; H146-W189 AromaticContact CD2-CE3 3.41Å; H146-W189 VanDerWaalsContact CD2-CE3 3.41Å; H146-W189 AromaticContact CD2-CG 3.76Å; H146-W189 WeakPolarHBondContact NE2-CB 3.43Å; H146-W189 AromaticContact NE2-CD1 3.97Å; H146-W189 AromaticContact NE2-CD2 3.56Å; H146-W189 AromaticContact NE2-CE3 3.82Å; H146-W189 AromaticContact NE2-CG 3.37Å; I149-W189 HydrophobicContact CG2-CH2 4.24Å; I149-W189 HydrophobicContact CG2-CZ3 3.86Å; Y150-W189 HydrophobicContact CD2-CH2 4.41Å; Y150-W189 AromaticContact CD2-CZ2 3.73Å; Y150-W189 HydrophobicContact CD2-CZ2 3.73Å; W187-W189 HydrophobicContact CZ3-CE3 4.25Å; W187-W189 AromaticContact CZ3-CZ3 3.83Å; W187-W189 HydrophobicContact CZ3-CZ3 3.83Å; W187-W189 PolarHBondContact O-N 2.79Å; W189-V195 HydrophobicContact CD2-CG2 3.94Å; W189-V195 HydrophobicContact CE3-CG1 4.17Å; W189-V195 HydrophobicContact CE3-CG2 4.22Å; W189-V195 HydrophobicContact CH2-CG1 3.64Å; W189-V195 HydrophobicContact CH2-CG2 4.37Å; W189-V195 HydrophobicContact CZ2-CG1 4.05Å; W189-V195 HydrophobicContact CZ2-CG2 4.01Å; W189-V195 HydrophobicContact CZ3-CG1 3.72Å; W189-V195 HydrophobicContact CZ3-CG2 4.47Å; W189-M198 HydrophobicContact CH2-CE 3.49Å; W189-M198 VanDerWaalsContact CH2-CE 3.49Å; W189-M198 HydrophobicContact CZ2-CE 3.61Å; W189-M198 HydrophobicContact CZ2-SD 4.17Å |
| 190 | T | 87.7 | Confident | 90.6 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 42% | 0.417 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -102.6 | -161.3 | 169.2 | 47.1 | 0 | 0 | 0 | 0 | 110.1 | S188 S192 V195 | S188-T190 WeakPolarHBondContact CB-O 3.24Å; S188-T190 PolarHBondContact OG-O 3.43Å; T190-S192 PolarHBondContact O-N 3.02Å; T190-V195 WeakPolarHBondContact OG1-CG2 3.2Å |
| 191 | D | 87.3 | Confident | 90.6 | Very high | 86 Ų | 86 | 47.8 Ų | 47.8 | 46% | 0.46 | 25% | 0.249 | S | C | . | . | trans | -55.3 | 129.6 | 169.5 | -179.9 | 6.4 | 0 | 0 | 0 | 110.6 | S193 I194 V195 | D191-S193 PolarHBondContact O-N 3.19Å; D191-S193 VanDerWaalsContact O-N 3.08Å; D191-S193 PolarHBondContact OD1-N 2.72Å; D191-S193 WeakPolarHBondContact OD2-CB 3.45Å; D191-S193 PolarHBondContact OD2-OG 3.13Å; D191-I194 HydrophobicContact CB-CD1 4.27Å; D191-I194 HydrophobicContact CB-CG1 4.34Å; D191-I194 PolarHBondContact O-N 2.7Å; D191-V195 PolarHBondContact O-N 3.38Å | ||
| 192 | S | 89.3 | Confident | 90.6 | Very high | 45 Ų | 45 | 47.9 Ų | 47.9 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -42.1 | -35.9 | 167.9 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | S188 T190 R196 | S188-S192 PolarHBondContact OG-N 2.83Å; T190-S192 PolarHBondContact O-N 3.02Å; S192-R196 WeakPolarHBondContact O-CB 3.33Å; S192-R196 PolarHBondContact O-N 3.41Å |
| 193 | S | 89.1 | Confident | 90.8 | Very high | 58 Ų | 58 | 43 Ų | 43 | 41% | 0.406 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.4 | -42.9 | 179 | 76.6 | 0 | 0 | 0 | 0 | 112.5 | D191 Q197 | D191-S193 PolarHBondContact O-N 3.19Å; D191-S193 VanDerWaalsContact O-N 3.08Å; D191-S193 PolarHBondContact OD1-N 2.72Å; D191-S193 WeakPolarHBondContact OD2-CB 3.45Å; D191-S193 PolarHBondContact OD2-OG 3.13Å; S193-Q197 WeakPolarHBondContact O-CB 3.35Å; S193-Q197 PolarHBondContact O-N 3.25Å |
| 194 | I | 91.9 | Very high | 91.2 | Very high | 104 Ų | 104 | 40.9 Ų | 40.9 | 53% | 0.533 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -71.5 | -45.8 | -179.4 | -57.5 | 173.3 | 0 | 0 | 0 | 109.9 | D191 R196 Q197 M198 | D191-I194 HydrophobicContact CB-CD1 4.27Å; D191-I194 HydrophobicContact CB-CG1 4.34Å; D191-I194 PolarHBondContact O-N 2.7Å; I194-R196 VanDerWaalsContact C-N 3.33Å; I194-R196 PolarHBondContact O-N 3.06Å; I194-Q197 WeakPolarHBondContact O-CB 3.44Å; I194-Q197 PolarHBondContact O-N 3.19Å; I194-M198 PolarHBondContact O-N 3.05Å |
| 195 | V | 91.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.1 | -36.7 | 178.8 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | L184 W187 W189 T190 D191 Q197 M198 I199 | L184-V195 HydrophobicContact CD1-CB 4.14Å; L184-V195 HydrophobicContact CD1-CG1 3.76Å; W187-V195 HydrophobicContact CH2-CG1 4.31Å; W187-V195 HydrophobicContact CZ3-CG1 4.17Å; W189-V195 HydrophobicContact CD2-CG2 3.94Å; W189-V195 HydrophobicContact CE3-CG1 4.17Å; W189-V195 HydrophobicContact CE3-CG2 4.22Å; W189-V195 HydrophobicContact CH2-CG1 3.64Å; W189-V195 HydrophobicContact CH2-CG2 4.37Å; W189-V195 HydrophobicContact CZ2-CG1 4.05Å; W189-V195 HydrophobicContact CZ2-CG2 4.01Å; W189-V195 HydrophobicContact CZ3-CG1 3.72Å; W189-V195 HydrophobicContact CZ3-CG2 4.47Å; T190-V195 WeakPolarHBondContact OG1-CG2 3.2Å; D191-V195 PolarHBondContact O-N 3.38Å; V195-Q197 VanDerWaalsContact C-N 3.34Å; V195-Q197 PolarHBondContact O-N 3.16Å; V195-M198 PolarHBondContact O-N 2.88Å; V195-I199 HydrophobicContact CG1-CD1 3.94Å; V195-I199 HydrophobicContact CG1-CG1 4.49Å; V195-I199 WeakPolarHBondContact O-CD1 3.44Å; V195-I199 VanDerWaalsContact O-CG1 3.26Å; V195-I199 WeakPolarHBondContact O-CG1 3.41Å; V195-I199 PolarHBondContact O-N 3.21Å |
| 196 | R | 93.6 | Very high | 91.6 | Very high | 64 Ų | 64 | 39.1 Ų | 39.1 | 24% | 0.242 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 172.4 | -170 | -175.6 | 73.4 | 98.9 | 0.5 | 111.2 | L184 S192 I194 I199 L200 F240 D243 | L184-R196 HydrophobicContact CD2-CB 3.54Å; L184-R196 HydrophobicContact CD2-CG 4.1Å; S192-R196 WeakPolarHBondContact O-CB 3.33Å; S192-R196 PolarHBondContact O-N 3.41Å; I194-R196 VanDerWaalsContact C-N 3.33Å; I194-R196 PolarHBondContact O-N 3.06Å; R196-I199 PolarHBondContact O-N 2.73Å; R196-L200 VanDerWaalsContact O-CB 3.25Å; R196-L200 WeakPolarHBondContact O-CB 3.49Å; R196-L200 PolarHBondContact O-N 3.12Å; R196-F240 HydrophobicContact CG-CD2 4.16Å; R196-D243 IonicContact CZ-OD2 2.83Å; R196-D243 IonicContact NH1-OD2 3.21Å; R196-D243 PolarHBondContact NH1-OD2 3.44Å; R196-D243 IonicContact NH2-OD2 3.16Å; R196-D243 PolarHBondContact NH2-OD2 3.27Å |
| 197 | Q | 93.3 | Very high | 91.9 | Very high | 73 Ų | 73 | 36.9 Ų | 36.9 | 34% | 0.341 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.9 | -46 | 177.7 | -179.2 | 57.2 | 37.5 | 0 | 0 | 111.1 | S193 I194 V195 I199 L200 D201 | S193-Q197 WeakPolarHBondContact O-CB 3.35Å; S193-Q197 PolarHBondContact O-N 3.25Å; I194-Q197 WeakPolarHBondContact O-CB 3.44Å; I194-Q197 PolarHBondContact O-N 3.19Å; V195-Q197 VanDerWaalsContact C-N 3.34Å; V195-Q197 PolarHBondContact O-N 3.16Å; Q197-I199 PolarHBondContact O-N 2.84Å; Q197-L200 CarbonylContact O-C 3.57Å; Q197-L200 WeakPolarHBondContact O-CA 3.28Å; Q197-L200 WeakPolarHBondContact O-CB 3.34Å; Q197-L200 PolarHBondContact O-N 3.49Å; Q197-L200 VanDerWaalsContact O-N 3.12Å; Q197-D201 VanDerWaalsContact NE2-CG 3.27Å; Q197-D201 PolarHBondContact NE2-OD1 3.21Å; Q197-D201 PolarHBondContact NE2-OD2 3.5Å; Q197-D201 VanDerWaalsContact O-CG 3.26Å; Q197-D201 PolarHBondContact O-N 3.23Å; Q197-D201 VanDerWaalsContact O-OD2 3.05Å |
| 198 | M | 92.9 | Very high | 92.1 | Very high | 48 Ų | 48 | 40.5 Ų | 40.5 | 24% | 0.236 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 177.3 | -165.6 | -169.2 | 74.5 | 0 | 0 | 112.8 | A153 W189 I194 V195 L200 D201 M202 | A153-M198 HydrophobicContact CB-CE 3.5Å; A153-M198 VanDerWaalsContact CB-CE 3.5Å; A153-M198 HydrophobicContact CB-CG 4.31Å; A153-M198 HydrophobicContact CB-SD 4.1Å; W189-M198 HydrophobicContact CH2-CE 3.49Å; W189-M198 VanDerWaalsContact CH2-CE 3.49Å; W189-M198 HydrophobicContact CZ2-CE 3.61Å; W189-M198 HydrophobicContact CZ2-SD 4.17Å; I194-M198 PolarHBondContact O-N 3.05Å; V195-M198 PolarHBondContact O-N 2.88Å; M198-L200 VanDerWaalsContact C-N 3.33Å; M198-D201 PolarHBondContact O-N 3.45Å; M198-M202 WeakPolarHBondContact O-CB 3.15Å; M198-M202 PolarHBondContact O-N 3.42Å |
| 199 | I | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.4 | -37 | 174.5 | -66 | 164.3 | 0 | 0 | 0 | 111 | V177 I180 V181 L184 W187 V195 R196 Q197 M202 A203 F240 | V177-I199 HydrophobicContact CG1-CG2 3.81Å; I180-I199 HydrophobicContact CD1-CD1 4.23Å; V181-I199 HydrophobicContact CG2-CG2 4.11Å; L184-I199 HydrophobicContact CD1-CD1 4.07Å; W187-I199 HydrophobicContact CH2-CD1 3.82Å; W187-I199 HydrophobicContact CZ2-CD1 4.32Å; V195-I199 HydrophobicContact CG1-CD1 3.94Å; V195-I199 HydrophobicContact CG1-CG1 4.49Å; V195-I199 WeakPolarHBondContact O-CD1 3.44Å; V195-I199 VanDerWaalsContact O-CG1 3.26Å; V195-I199 WeakPolarHBondContact O-CG1 3.41Å; V195-I199 PolarHBondContact O-N 3.21Å; R196-I199 PolarHBondContact O-N 2.73Å; Q197-I199 PolarHBondContact O-N 2.84Å; I199-M202 HydrophobicContact CG2-CE 4.27Å; I199-A203 WeakPolarHBondContact O-CB 3.37Å; I199-A203 PolarHBondContact O-N 2.99Å; I199-F240 HydrophobicContact CB-CE2 4.46Å; I199-F240 HydrophobicContact CG2-CE2 3.96Å; I199-F240 HydrophobicContact CG2-CZ 4.01Å |
| 200 | L | 94.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.4 | -43.3 | 175.6 | -176.2 | 65.1 | 0 | 0 | 0 | 111.2 | R196 Q197 M198 A203 V204 F240 D243 L244 | R196-L200 VanDerWaalsContact O-CB 3.25Å; R196-L200 WeakPolarHBondContact O-CB 3.49Å; R196-L200 PolarHBondContact O-N 3.12Å; Q197-L200 CarbonylContact O-C 3.57Å; Q197-L200 WeakPolarHBondContact O-CA 3.28Å; Q197-L200 WeakPolarHBondContact O-CB 3.34Å; Q197-L200 PolarHBondContact O-N 3.49Å; Q197-L200 VanDerWaalsContact O-N 3.12Å; M198-L200 VanDerWaalsContact C-N 3.33Å; L200-A203 PolarHBondContact O-N 3.46Å; L200-V204 HydrophobicContact CD1-CG2 4.23Å; L200-V204 HydrophobicContact CG-CG2 4.28Å; L200-V204 VanDerWaalsContact O-CB 3.31Å; L200-V204 WeakPolarHBondContact O-CB 3.31Å; L200-V204 WeakPolarHBondContact O-CG2 3.43Å; L200-V204 PolarHBondContact O-N 3.1Å; L200-F240 HydrophobicContact CB-CE2 3.75Å; L200-F240 HydrophobicContact CB-CZ 4.2Å; L200-F240 HydrophobicContact CD1-CD2 4.34Å; L200-F240 HydrophobicContact CD1-CE1 4.27Å; L200-F240 HydrophobicContact CD1-CE2 3.89Å; L200-F240 HydrophobicContact CD1-CZ 3.85Å; L200-F240 HydrophobicContact CG-CE2 4.42Å; L200-D243 HydrophobicContact CD2-CB 3.87Å; L200-L244 HydrophobicContact CD1-CB 3.93Å; L200-L244 HydrophobicContact CD1-CD1 3.93Å |
| 201 | D | 94.8 | Very high | 92.1 | Very high | 51 Ų | 51 | 43.7 Ų | 43.7 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.6 | -46.6 | 175.3 | -70.2 | -39.9 | 0 | 0 | 0 | 111.3 | Q197 M198 V204 K205 R247 | Q197-D201 VanDerWaalsContact NE2-CG 3.27Å; Q197-D201 PolarHBondContact NE2-OD1 3.21Å; Q197-D201 PolarHBondContact NE2-OD2 3.5Å; Q197-D201 VanDerWaalsContact O-CG 3.26Å; Q197-D201 PolarHBondContact O-N 3.23Å; Q197-D201 VanDerWaalsContact O-OD2 3.05Å; M198-D201 PolarHBondContact O-N 3.45Å; D201-V204 PolarHBondContact O-N 3.41Å; D201-K205 VanDerWaalsContact O-CG 3.31Å; D201-K205 WeakPolarHBondContact O-CG 3.33Å; D201-K205 PolarHBondContact O-N 2.98Å; D201-R247 IonicContact OD1-CZ 3.66Å; D201-R247 IonicContact OD1-NH1 3.91Å; D201-R247 PolarHBondContact OD1-NH1 3.02Å; D201-R247 IonicContact OD1-NH2 3.75Å; D201-R247 PolarHBondContact OD1-NH2 3.31Å |
| 202 | M | 94.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 173.4 | -178.3 | -171.8 | 69.9 | 0 | 0 | 111.9 | I149 A153 F158 F173 V177 M198 I199 V206 | I149-M202 HydrophobicContact CD1-CE 4.08Å; I149-M202 HydrophobicContact CD1-SD 4.08Å; A153-M202 HydrophobicContact CB-SD 3.97Å; F158-M202 HydrophobicContact CD2-CE 4.38Å; F158-M202 HydrophobicContact CD2-CG 4.27Å; F158-M202 HydrophobicContact CD2-SD 3.51Å; F158-M202 VanDerWaalsContact CD2-SD 3.51Å; F158-M202 HydrophobicContact CE2-SD 3.86Å; F173-M202 HydrophobicContact CE2-CE 3.82Å; F173-M202 HydrophobicContact CE2-CG 4.49Å; F173-M202 HydrophobicContact CE2-SD 4.37Å; F173-M202 HydrophobicContact CZ-CE 4.06Å; F173-M202 HydrophobicContact CZ-CG 4.33Å; V177-M202 HydrophobicContact CG2-CE 4.07Å; M198-M202 WeakPolarHBondContact O-CB 3.15Å; M198-M202 PolarHBondContact O-N 3.42Å; I199-M202 HydrophobicContact CG2-CE 4.27Å; M202-V206 WeakPolarHBondContact O-CG2 3.39Å; M202-V206 PolarHBondContact O-N 3.13Å; M202-V206 VanDerWaalsContact O-N 3.16Å |
| 203 | A | 94.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.2 | -40 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | V177 I199 L200 V206 I207 F240 L244 | V177-A203 HydrophobicContact CG1-CB 4.3Å; I199-A203 WeakPolarHBondContact O-CB 3.37Å; I199-A203 PolarHBondContact O-N 2.99Å; L200-A203 PolarHBondContact O-N 3.46Å; A203-V206 PolarHBondContact O-N 3.24Å; A203-I207 WeakPolarHBondContact O-CG1 3.48Å; A203-I207 PolarHBondContact O-N 3.47Å; A203-F240 HydrophobicContact CB-CE1 4.44Å; A203-F240 HydrophobicContact CB-CZ 4.1Å; A203-L244 HydrophobicContact CB-CD1 3.97Å |
| 204 | V | 95.2 | Very high | 91.5 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -48 | 176.2 | 166.9 | 0 | 0 | 0 | 0 | 110.6 | L200 D201 V206 I207 I208 L244 R247 T248 | L200-V204 HydrophobicContact CD1-CG2 4.23Å; L200-V204 HydrophobicContact CG-CG2 4.28Å; L200-V204 VanDerWaalsContact O-CB 3.31Å; L200-V204 WeakPolarHBondContact O-CB 3.31Å; L200-V204 WeakPolarHBondContact O-CG2 3.43Å; L200-V204 PolarHBondContact O-N 3.1Å; D201-V204 PolarHBondContact O-N 3.41Å; V204-V206 VanDerWaalsContact C-N 3.34Å; V204-V206 PolarHBondContact O-N 3.41Å; V204-I207 PolarHBondContact O-N 2.93Å; V204-I208 HydrophobicContact CG1-CD1 3.63Å; V204-I208 HydrophobicContact CG1-CG1 4.44Å; V204-I208 WeakPolarHBondContact O-CB 3.26Å; V204-I208 VanDerWaalsContact O-CG1 3.28Å; V204-I208 WeakPolarHBondContact O-CG1 3.22Å; V204-I208 PolarHBondContact O-N 3.34Å; V204-L244 HydrophobicContact CG2-CD1 3.88Å; V204-R247 HydrophobicContact CG1-CB 4.43Å; V204-R247 HydrophobicContact CG2-CB 3.75Å; V204-T248 HydrophobicContact CB-CG2 4.23Å; V204-T248 HydrophobicContact CG1-CG2 3.99Å; V204-T248 HydrophobicContact CG2-CG2 4.09Å |
| 205 | K | 93.2 | Very high | 91.2 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 36% | 0.361 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -54.8 | -48.1 | 175.3 | -74.4 | 177.2 | -171.5 | 180 | 0 | 112 | D156 L159 D201 I208 Q209 | D156-K205 VanDerWaalsContact OD1-CD 3.26Å; D156-K205 WeakPolarHBondContact OD1-CD 3.44Å; D156-K205 IonicContact OD1-NZ 2.83Å; D156-K205 PolarHBondContact OD1-NZ 3.19Å; D156-K205 IonicContact OD2-NZ 2.71Å; D156-K205 PolarHBondContact OD2-NZ 3.34Å; L159-K205 HydrophobicContact CD2-CB 3.87Å; D201-K205 VanDerWaalsContact O-CG 3.31Å; D201-K205 WeakPolarHBondContact O-CG 3.33Å; D201-K205 PolarHBondContact O-N 2.98Å; K205-I208 PolarHBondContact O-N 2.97Å; K205-Q209 PolarHBondContact O-N 3.4Å; K205-Q209 VanDerWaalsContact O-N 3.1Å |
| 206 | V | 92.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.9 | -43.2 | -178.8 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | F158 L159 C161 L170 F173 M202 A203 V204 Q209 S210 | F158-V206 HydrophobicContact CB-CG2 3.81Å; F158-V206 WeakPolarHBondContact O-CG2 3.44Å; L159-V206 HydrophobicContact CD2-CG2 4.02Å; C161-V206 HydrophobicContact CB-CG1 4.15Å; L170-V206 HydrophobicContact CD1-CG1 3.74Å; F173-V206 HydrophobicContact CD1-CB 4.4Å; F173-V206 HydrophobicContact CD1-CG1 3.84Å; F173-V206 HydrophobicContact CE1-CB 3.7Å; F173-V206 HydrophobicContact CE1-CG1 3.65Å; F173-V206 HydrophobicContact CE1-CG2 3.95Å; F173-V206 HydrophobicContact CZ-CB 4.13Å; F173-V206 HydrophobicContact CZ-CG1 4.39Å; F173-V206 HydrophobicContact CZ-CG2 3.87Å; M202-V206 WeakPolarHBondContact O-CG2 3.39Å; M202-V206 PolarHBondContact O-N 3.13Å; M202-V206 VanDerWaalsContact O-N 3.16Å; A203-V206 PolarHBondContact O-N 3.24Å; V204-V206 VanDerWaalsContact C-N 3.34Å; V204-V206 PolarHBondContact O-N 3.41Å; V206-Q209 PolarHBondContact O-N 3.16Å; V206-S210 WeakPolarHBondContact O-CB 3.26Å; V206-S210 PolarHBondContact O-N 3.42Å; V206-S210 PolarHBondContact O-OG 2.96Å |
| 207 | I | 92.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.5 | -42.4 | 177.7 | -73.7 | -175.9 | 0 | 0 | 0 | 111.4 | A203 V204 Q209 S210 E211 L214 I222 L244 T248 | A203-I207 WeakPolarHBondContact O-CG1 3.48Å; A203-I207 PolarHBondContact O-N 3.47Å; V204-I207 PolarHBondContact O-N 2.93Å; I207-Q209 PolarHBondContact O-N 3.46Å; I207-S210 CarbonylContact O-C 3.58Å; I207-S210 PolarHBondContact O-N 2.97Å; I207-E211 PolarHBondContact O-N 3.41Å; I207-L214 HydrophobicContact CG1-CD2 4.4Å; I207-L214 HydrophobicContact CG2-CD1 3.88Å; I207-L214 HydrophobicContact CG2-CD2 4.17Å; I207-I222 HydrophobicContact CD1-CD1 4.25Å; I207-L244 HydrophobicContact CD1-CD1 4.03Å; I207-L244 HydrophobicContact CD1-CD2 3.89Å; I207-L244 HydrophobicContact CD1-CG 4.12Å; I207-T248 HydrophobicContact CB-CG2 4.11Å; I207-T248 HydrophobicContact CG2-CG2 3.75Å |
| 208 | I | 93.2 | Very high | 90.5 | Very high | 75 Ų | 75 | 42.8 Ų | 42.8 | 39% | 0.385 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 177.8 | -69.3 | 169 | 0 | 0 | 0 | 111.2 | V204 K205 S210 T248 Q251 | V204-I208 HydrophobicContact CG1-CD1 3.63Å; V204-I208 HydrophobicContact CG1-CG1 4.44Å; V204-I208 WeakPolarHBondContact O-CB 3.26Å; V204-I208 VanDerWaalsContact O-CG1 3.28Å; V204-I208 WeakPolarHBondContact O-CG1 3.22Å; V204-I208 PolarHBondContact O-N 3.34Å; K205-I208 PolarHBondContact O-N 2.97Å; I208-S210 VanDerWaalsContact C-N 3.29Å; I208-S210 PolarHBondContact O-N 3.11Å; I208-T248 HydrophobicContact CG1-CG2 4.18Å; I208-Q251 HydrophobicContact CG1-CG 4.43Å |
| 209 | Q | 90.4 | Very high | 90.5 | Very high | 109 Ų | 109 | 40.7 Ų | 40.7 | 51% | 0.509 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -74 | -18.6 | 178.6 | -66.2 | -171.2 | 5.2 | 0 | 0 | 113.7 | L159 S162 K205 V206 I207 | L159-Q209 HydrophobicContact CD2-CB 4.43Å; L159-Q209 VanDerWaalsContact CD2-CD 3.5Å; L159-Q209 HydrophobicContact CD2-CG 4.18Å; L159-Q209 VanDerWaalsContact CD2-OE1 3.27Å; S162-Q209 WeakPolarHBondContact CB-O 3.47Å; K205-Q209 PolarHBondContact O-N 3.4Å; K205-Q209 VanDerWaalsContact O-N 3.1Å; V206-Q209 PolarHBondContact O-N 3.16Å; I207-Q209 PolarHBondContact O-N 3.46Å |
| 210 | S | 88.8 | Confident | 90.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 14.4 | -176.6 | -46.9 | 0 | 0 | 0 | 0 | 114.2 | V206 I207 I208 K212 F213 L214 | V206-S210 WeakPolarHBondContact O-CB 3.26Å; V206-S210 PolarHBondContact O-N 3.42Å; V206-S210 PolarHBondContact O-OG 2.96Å; I207-S210 CarbonylContact O-C 3.58Å; I207-S210 PolarHBondContact O-N 2.97Å; I208-S210 VanDerWaalsContact C-N 3.29Å; I208-S210 PolarHBondContact O-N 3.11Å; S210-K212 PolarHBondContact O-N 2.95Å; S210-F213 WeakPolarHBondContact O-CA 3.29Å; S210-F213 PolarHBondContact O-N 2.69Å; S210-L214 PolarHBondContact O-N 3.41Å |
| 211 | E | 86 | Confident | 90.1 | Very high | 99 Ų | 99 | 43.2 Ų | 43.2 | 46% | 0.463 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -46 | -43.4 | -172.8 | -173.9 | -169.5 | 136.5 | 0 | 0 | 114.3 | I207 F213 L214 Q251 | I207-E211 PolarHBondContact O-N 3.41Å; E211-F213 PolarHBondContact O-N 2.82Å; E211-L214 PolarHBondContact O-N 3.27Å; E211-Q251 HydrophobicContact CB-CG 4.41Å; E211-Q251 HydrophobicContact CG-CB 4.01Å; E211-Q251 HydrophobicContact CG-CG 4.12Å |
| 212 | K | 83.4 | Confident | 90.1 | Very high | 175 Ų | 175 | 40.9 Ų | 40.9 | 76% | 0.761 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -58.7 | -30.9 | 179.4 | -65.1 | -179.2 | -178 | 175.7 | 0 | 113 | S210 R255 | S210-K212 PolarHBondContact O-N 2.95Å; K212-R255 PolarHBondContact O-NH2 2.64Å |
| 213 | F | 82.2 | Confident | 90 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 24% | 0.241 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -100.8 | 6.6 | -174.1 | -49.6 | -72 | 0 | 0 | 0 | 113.5 | E165 L170 S210 E211 S215 | E165-F213 HydrophobicContact CB-CE1 3.71Å; E165-F213 HydrophobicContact CB-CE2 4.25Å; E165-F213 HydrophobicContact CB-CZ 3.48Å; E165-F213 VanDerWaalsContact CB-CZ 3.48Å; E165-F213 HydrophobicContact CG-CE1 4.33Å; E165-F213 HydrophobicContact CG-CE2 4.19Å; E165-F213 HydrophobicContact CG-CZ 3.6Å; L170-F213 HydrophobicContact CD2-CB 4.08Å; S210-F213 WeakPolarHBondContact O-CA 3.29Å; S210-F213 PolarHBondContact O-N 2.69Å; E211-F213 PolarHBondContact O-N 2.82Å; F213-S215 PolarHBondContact O-N 2.85Å |
| 214 | L | 86.8 | Confident | 89.9 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | trans | -73 | 91.2 | 174.1 | -64.1 | 173.1 | 0 | 0 | 0 | 110.5 | L170 I207 S210 E211 V218 Q251 L252 R255 | L170-L214 HydrophobicContact CD2-CD2 4.23Å; I207-L214 HydrophobicContact CG1-CD2 4.4Å; I207-L214 HydrophobicContact CG2-CD1 3.88Å; I207-L214 HydrophobicContact CG2-CD2 4.17Å; S210-L214 PolarHBondContact O-N 3.41Å; E211-L214 PolarHBondContact O-N 3.27Å; L214-V218 HydrophobicContact CD2-CG1 4.34Å; L214-Q251 HydrophobicContact CD1-CB 4.4Å; L214-L252 HydrophobicContact CD1-CD2 4.01Å; L214-R255 PolarHBondContact O-NE 2.74Å | ||
| 215 | S | 86.5 | Confident | 89.8 | Confident | 23 Ų | 23 | 44.7 Ų | 44.7 | 16% | 0.161 | 22% | 0.219 | C | C | . | . | trans | -76.7 | 169.1 | -179.4 | 77.9 | 0 | 0 | 0 | 0 | 113.7 | E167 F213 D217 V218 V219 | E167-S215 WeakPolarHBondContact OE1-CB 3.34Å; E167-S215 PolarHBondContact OE1-OG 2.91Å; E167-S215 WeakPolarHBondContact OE2-CB 3.34Å; F213-S215 PolarHBondContact O-N 2.85Å; S215-D217 PolarHBondContact O-N 2.99Å; S215-D217 PolarHBondContact OG-N 3.46Å; S215-V218 PolarHBondContact O-N 3.15Å; S215-V218 PolarHBondContact OG-N 3.02Å; S215-V219 WeakPolarHBondContact O-CG2 3.28Å; S215-V219 PolarHBondContact O-N 3.45Å; S215-V219 VanDerWaalsContact O-N 3.12Å | ||
| 216 | S | 85.4 | Confident | 89.8 | Confident | 63 Ų | 63 | 40.9 Ų | 40.9 | 44% | 0.441 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -51.7 | -40 | 171.3 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | T220 L259 | S216-T220 WeakPolarHBondContact O-CB 3.37Å; S216-T220 PolarHBondContact O-N 3.43Å; S216-T220 PolarHBondContact O-OG1 2.97Å; S216-L259 WeakPolarHBondContact OG-CD1 3.25Å |
| 217 | D | 87.2 | Confident | 89.7 | Confident | 94 Ų | 94 | 41.6 Ų | 41.6 | 50% | 0.503 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -79.2 | -39.4 | -170.9 | -68 | 8.2 | 0 | 0 | 0 | 111.6 | F171 S215 T220 F221 | F171-D217 HydrophobicContact CE1-CB 3.86Å; F171-D217 HydrophobicContact CZ-CB 4.17Å; S215-D217 PolarHBondContact O-N 2.99Å; S215-D217 PolarHBondContact OG-N 3.46Å; D217-T220 PolarHBondContact O-N 3.43Å; D217-F221 VanDerWaalsContact O-CB 3.28Å; D217-F221 WeakPolarHBondContact O-CB 3.01Å; D217-F221 PolarHBondContact O-N 3.26Å |
| 218 | V | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -45.6 | 172.3 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | E167 F171 V174 L214 S215 F221 I222 | E167-V218 HydrophobicContact CG-CG2 4.44Å; F171-V218 HydrophobicContact CB-CG2 3.78Å; F171-V218 HydrophobicContact CD1-CG2 4.39Å; F171-V218 HydrophobicContact CD2-CG2 3.93Å; F171-V218 HydrophobicContact CG-CG2 3.82Å; V174-V218 HydrophobicContact CG2-CG1 4.25Å; L214-V218 HydrophobicContact CD2-CG1 4.34Å; S215-V218 PolarHBondContact O-N 3.15Å; S215-V218 PolarHBondContact OG-N 3.02Å; V218-F221 PolarHBondContact O-N 2.9Å; V218-I222 HydrophobicContact CG1-CD1 4.44Å; V218-I222 WeakPolarHBondContact O-CG1 3.43Å; V218-I222 PolarHBondContact O-N 3.39Å |
| 219 | V | 91.9 | Very high | 89.1 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67 | -44.4 | 178.6 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | S215 F221 I222 L223 L252 R255 I256 L259 | S215-V219 WeakPolarHBondContact O-CG2 3.28Å; S215-V219 PolarHBondContact O-N 3.45Å; S215-V219 VanDerWaalsContact O-N 3.12Å; V219-F221 VanDerWaalsContact C-N 3.33Å; V219-F221 PolarHBondContact O-N 3.38Å; V219-I222 PolarHBondContact O-N 2.65Å; V219-I222 VanDerWaalsContact O-N 3.13Å; V219-L223 HydrophobicContact CG1-CD1 3.89Å; V219-L223 HydrophobicContact CG1-CG 4.23Å; V219-L223 WeakPolarHBondContact O-CG 3.26Å; V219-L223 PolarHBondContact O-N 3.32Å; V219-L252 HydrophobicContact CG2-CD2 4.02Å; V219-R255 HydrophobicContact CG2-CB 4.17Å; V219-I256 HydrophobicContact CG1-CG1 3.67Å; V219-L259 HydrophobicContact CB-CD2 4.26Å; V219-L259 HydrophobicContact CG1-CD2 3.78Å |
| 220 | T | 89.8 | Confident | 89 | Confident | 24 Ų | 24 | 42.4 Ų | 42.4 | 15% | 0.147 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 176.6 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | S216 D217 I222 L223 Q224 L299 | S216-T220 WeakPolarHBondContact O-CB 3.37Å; S216-T220 PolarHBondContact O-N 3.43Å; S216-T220 PolarHBondContact O-OG1 2.97Å; D217-T220 PolarHBondContact O-N 3.43Å; T220-I222 VanDerWaalsContact C-N 3.28Å; T220-I222 PolarHBondContact O-N 3.23Å; T220-L223 PolarHBondContact O-N 3Å; T220-Q224 PolarHBondContact O-N 3.24Å; T220-L299 HydrophobicContact CG2-CD1 4.04Å |
| 221 | F | 92.2 | Very high | 88.9 | Confident | 31 Ų | 31 | 46.5 Ų | 46.5 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -31.4 | 176.2 | 178.1 | -92.1 | 0 | 0 | 0 | 113.2 | F171 V174 K175 F178 D217 V218 V219 Q224 Y225 | F171-F221 HydrophobicContact CE2-CB 3.61Å; F171-F221 HydrophobicContact CE2-CD1 4.24Å; F171-F221 HydrophobicContact CE2-CD2 4.14Å; F171-F221 AromaticContact CE2-CG 3.74Å; F171-F221 HydrophobicContact CE2-CG 3.74Å; F171-F221 HydrophobicContact CZ-CB 4.07Å; F171-F221 HydrophobicContact CZ-CG 4.44Å; V174-F221 HydrophobicContact CG1-CD1 3.9Å; V174-F221 HydrophobicContact CG1-CE1 4.05Å; K175-F221 HydrophobicContact CB-CZ 4.4Å; K175-F221 HydrophobicContact CG-CD2 4.45Å; K175-F221 HydrophobicContact CG-CE1 4.12Å; K175-F221 HydrophobicContact CG-CE2 3.95Å; K175-F221 HydrophobicContact CG-CZ 3.77Å; F178-F221 HydrophobicContact CB-CE1 3.94Å; F178-F221 HydrophobicContact CB-CZ 4.12Å; F178-F221 AromaticContact CD2-CE1 3.87Å; F178-F221 HydrophobicContact CD2-CE1 3.87Å; F178-F221 AromaticContact CG-CE1 3.93Å; F178-F221 HydrophobicContact CG-CE1 3.93Å; D217-F221 VanDerWaalsContact O-CB 3.28Å; D217-F221 WeakPolarHBondContact O-CB 3.01Å; D217-F221 PolarHBondContact O-N 3.26Å; V218-F221 PolarHBondContact O-N 2.9Å; V219-F221 VanDerWaalsContact C-N 3.33Å; V219-F221 PolarHBondContact O-N 3.38Å; F221-Q224 WeakPolarHBondContact O-CG 3.36Å; F221-Q224 PolarHBondContact O-NE2 3.45Å; F221-Q224 VanDerWaalsContact O-NE2 3.11Å; F221-Y225 HydrophobicContact CD1-CE2 4.36Å; F221-Y225 AromaticContact CE1-CE2 3.9Å; F221-Y225 HydrophobicContact CE1-CE2 3.9Å; F221-Y225 HydrophobicContact CE2-CE2 4.34Å; F221-Y225 AromaticContact CZ-CE2 3.88Å; F221-Y225 HydrophobicContact CZ-CE2 3.88Å; F221-Y225 WeakPolarHBondContact O-CD2 2.84Å; F221-Y225 WeakPolarHBondContact O-CE2 3.15Å |
| 222 | I | 93.9 | Very high | 89 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75.2 | -44.8 | 172.8 | -62.7 | 165.9 | 0 | 0 | 0 | 110.1 | V174 F178 I207 V218 V219 T220 Q224 Y225 A241 L244 I245 | V174-I222 HydrophobicContact CG1-CD1 4.48Å; V174-I222 HydrophobicContact CG1-CG1 4.22Å; F178-I222 HydrophobicContact CE2-CG1 4.19Å; F178-I222 HydrophobicContact CZ-CG2 4.43Å; I207-I222 HydrophobicContact CD1-CD1 4.25Å; V218-I222 HydrophobicContact CG1-CD1 4.44Å; V218-I222 WeakPolarHBondContact O-CG1 3.43Å; V218-I222 PolarHBondContact O-N 3.39Å; V219-I222 PolarHBondContact O-N 2.65Å; V219-I222 VanDerWaalsContact O-N 3.13Å; T220-I222 VanDerWaalsContact C-N 3.28Å; T220-I222 PolarHBondContact O-N 3.23Å; I222-Q224 PolarHBondContact O-N 3.42Å; I222-Y225 PolarHBondContact O-N 2.79Å; I222-A241 HydrophobicContact CG2-CB 4.27Å; I222-L244 HydrophobicContact CD1-CD2 4.21Å; I222-I245 HydrophobicContact CG2-CD1 4.01Å; I222-I245 HydrophobicContact CG2-CG1 4.03Å |
| 223 | L | 92.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.7 | -32.3 | -177 | -69.8 | 175.9 | 0 | 0 | 0 | 113.8 | V219 T220 Y225 L226 I245 I256 L259 I306 L310 | V219-L223 HydrophobicContact CG1-CD1 3.89Å; V219-L223 HydrophobicContact CG1-CG 4.23Å; V219-L223 WeakPolarHBondContact O-CG 3.26Å; V219-L223 PolarHBondContact O-N 3.32Å; T220-L223 PolarHBondContact O-N 3Å; L223-Y225 PolarHBondContact O-N 3.16Å; L223-Y225 VanDerWaalsContact O-N 3.15Å; L223-L226 HydrophobicContact CD2-CD1 3.84Å; L223-L226 WeakPolarHBondContact O-CB 3.18Å; L223-L226 WeakPolarHBondContact O-CG 3.28Å; L223-L226 PolarHBondContact O-N 2.71Å; L223-I245 HydrophobicContact CD2-CD1 4.19Å; L223-I256 HydrophobicContact CD1-CG1 4.43Å; L223-I256 HydrophobicContact CD2-CD1 4.21Å; L223-I256 HydrophobicContact CD2-CG1 4.42Å; L223-L259 HydrophobicContact CD1-CD2 3.93Å; L223-I306 HydrophobicContact CB-CD1 4.48Å; L223-I306 HydrophobicContact CB-CG2 4.27Å; L223-I306 HydrophobicContact CD1-CG2 4.22Å; L223-I306 HydrophobicContact CD2-CG2 4.01Å; L223-I306 HydrophobicContact CG-CG2 4.4Å; L223-L310 HydrophobicContact CD2-CD1 4.13Å; L223-L310 HydrophobicContact CD2-CD2 3.99Å; L223-L310 HydrophobicContact CD2-CG 4.35Å |
| 224 | Q | 91.5 | Very high | 89.9 | Confident | 77 Ų | 77 | 41.5 Ų | 41.5 | 36% | 0.36 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -58 | -29.5 | 178.4 | 82.6 | -167.6 | -22.7 | 0 | 0 | 112.6 | T220 F221 I222 L226 I227 A230 | T220-Q224 PolarHBondContact O-N 3.24Å; F221-Q224 WeakPolarHBondContact O-CG 3.36Å; F221-Q224 PolarHBondContact O-NE2 3.45Å; F221-Q224 VanDerWaalsContact O-NE2 3.11Å; I222-Q224 PolarHBondContact O-N 3.42Å; Q224-L226 PolarHBondContact O-N 3.31Å; Q224-I227 VanDerWaalsContact O-CG1 3.3Å; Q224-I227 WeakPolarHBondContact O-CG1 3.38Å; Q224-A230 WeakPolarHBondContact O-CB 3.25Å |
| 225 | Y | 93.6 | Very high | 90.2 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 8% | 0.075 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -71.9 | -12.3 | 179.3 | -73.4 | -77.6 | 0 | 0 | 0 | 113.3 | F178 F221 I222 L223 A230 Q237 H238 | F178-Y225 HydrophobicContact CB-CE2 4.34Å; F178-Y225 HydrophobicContact CD1-CD1 4.31Å; F178-Y225 AromaticContact CD1-CD2 3.61Å; F178-Y225 HydrophobicContact CD1-CD2 3.61Å; F178-Y225 HydrophobicContact CD1-CE1 4.1Å; F178-Y225 AromaticContact CD1-CE2 3.36Å; F178-Y225 HydrophobicContact CD1-CE2 3.36Å; F178-Y225 HydrophobicContact CD1-CG 4.09Å; F178-Y225 AromaticContact CD1-CZ 3.64Å; F178-Y225 HydrophobicContact CE1-CD1 4.41Å; F178-Y225 AromaticContact CE1-CD2 3.46Å; F178-Y225 HydrophobicContact CE1-CD2 3.46Å; F178-Y225 VanDerWaalsContact CE1-CD2 3.46Å; F178-Y225 AromaticContact CE1-CE2 3.75Å; F178-Y225 HydrophobicContact CE1-CE2 3.75Å; F178-Y225 AromaticContact CE1-CG 3.84Å; F178-Y225 HydrophobicContact CE1-CG 3.84Å; F178-Y225 HydrophobicContact CG-CD2 4.44Å; F178-Y225 AromaticContact CG-CE2 3.89Å; F178-Y225 HydrophobicContact CG-CE2 3.89Å; F178-Y225 HydrophobicContact CZ-CD2 4.19Å; F221-Y225 HydrophobicContact CD1-CE2 4.36Å; F221-Y225 AromaticContact CE1-CE2 3.9Å; F221-Y225 HydrophobicContact CE1-CE2 3.9Å; F221-Y225 HydrophobicContact CE2-CE2 4.34Å; F221-Y225 AromaticContact CZ-CE2 3.88Å; F221-Y225 HydrophobicContact CZ-CE2 3.88Å; F221-Y225 WeakPolarHBondContact O-CD2 2.84Å; F221-Y225 WeakPolarHBondContact O-CE2 3.15Å; I222-Y225 PolarHBondContact O-N 2.79Å; L223-Y225 PolarHBondContact O-N 3.16Å; L223-Y225 VanDerWaalsContact O-N 3.15Å; Y225-A230 HydrophobicContact CD1-CB 4.26Å; Y225-Q237 HydrophobicContact CD1-CB 3.64Å; Y225-Q237 HydrophobicContact CE1-CB 3.63Å; Y225-Q237 HydrophobicContact CE1-CG 4.32Å; Y225-Q237 PolarHBondContact OH-NE2 2.81Å; Y225-H238 PolarHBondContact O-ND1 2.9Å |
| 226 | L | 92.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -80.8 | -18.3 | -179.4 | -57 | -173.4 | 0 | 0 | 0 | 113.9 | L223 Q224 H238 A241 I245 A309 L310 I313 | L223-L226 HydrophobicContact CD2-CD1 3.84Å; L223-L226 WeakPolarHBondContact O-CB 3.18Å; L223-L226 WeakPolarHBondContact O-CG 3.28Å; L223-L226 PolarHBondContact O-N 2.71Å; Q224-L226 PolarHBondContact O-N 3.31Å; L226-H238 PolarHBondContact O-CE1 2.91Å; L226-A241 HydrophobicContact CD2-CB 4.07Å; L226-I245 HydrophobicContact CD1-CD1 3.78Å; L226-I245 HydrophobicContact CD2-CD1 4.18Å; L226-I245 HydrophobicContact CG-CD1 4.33Å; L226-A309 HydrophobicContact CB-CB 3.96Å; L226-L310 HydrophobicContact CD1-CD2 3.74Å; L226-L310 HydrophobicContact CD1-CG 4.08Å; L226-I313 HydrophobicContact CD1-CD1 4.07Å; L226-I313 HydrophobicContact CD2-CD1 3.8Å |
| 227 | I | 90.2 | Very high | 90.9 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 9% | 0.087 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -116.4 | 167.8 | -170.2 | 58.4 | 171.3 | 0 | 0 | 0 | 112.3 | Q224 A230 K231 H302 L305 I306 | Q224-I227 VanDerWaalsContact O-CG1 3.3Å; Q224-I227 WeakPolarHBondContact O-CG1 3.38Å; I227-A230 PolarHBondContact O-N 3.42Å; I227-A230 VanDerWaalsContact O-N 3.1Å; I227-K231 WeakPolarHBondContact O-CB 3.38Å; I227-K231 PolarHBondContact O-N 2.93Å; I227-H302 HydrophobicContact CD1-CB 3.7Å; I227-L305 HydrophobicContact CG2-CB 3.91Å; I227-I306 HydrophobicContact CD1-CD1 4.35Å; I227-I306 HydrophobicContact CD1-CG1 4.14Å; I227-I306 HydrophobicContact CG2-CG1 3.72Å |
| 228 | E | 86 | Confident | 91.2 | Very high | 95 Ų | 95 | 40.1 Ų | 40.1 | 44% | 0.444 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 144.5 | 171.9 | -61.4 | -57.3 | 163.3 | 0 | 0 | 111.2 | S232 | E228-S232 WeakPolarHBondContact OE2-CB 3.27Å; E228-S232 PolarHBondContact OE2-N 3.5Å; E228-S232 PolarHBondContact OE2-OG 2.93Å |
| 229 | P | 87.4 | Confident | 91.3 | Very high | 94 Ų | 94 | 42.9 Ų | 42.9 | 61% | 0.61 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -86.4 | -5.8 | 7 | 34.7 | -36.8 | 0 | 0 | 0 | 115 | K231 S232 T233 | P229-K231 VanDerWaalsContact C-N 3.33Å; P229-K231 PolarHBondContact O-N 2.86Å; P229-S232 PolarHBondContact O-N 3.49Å; P229-S232 PolarHBondContact O-OG 2.84Å; P229-T233 HydrophobicContact CB-CG2 4.33Å; P229-T233 WeakPolarHBondContact O-CB 3.38Å; P229-T233 WeakPolarHBondContact O-CG2 3.36Å; P229-T233 PolarHBondContact O-N 3.41Å; P229-T233 PolarHBondContact O-OG1 2.94Å |
| 230 | A | 88.3 | Confident | 91.5 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 12% | 0.116 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -38.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q224 Y225 I227 S232 Q234 | Q224-A230 WeakPolarHBondContact O-CB 3.25Å; Y225-A230 HydrophobicContact CD1-CB 4.26Å; I227-A230 PolarHBondContact O-N 3.42Å; I227-A230 VanDerWaalsContact O-N 3.1Å; A230-S232 PolarHBondContact O-N 3.47Å; A230-Q234 CarbonylContact O-C 3.45Å; A230-Q234 WeakPolarHBondContact O-CA 3.14Å; A230-Q234 WeakPolarHBondContact O-CB 3.42Å; A230-Q234 PolarHBondContact O-N 2.94Å |
| 231 | K | 87.8 | Confident | 91.7 | Very high | 85 Ų | 85 | 41.5 Ų | 41.5 | 37% | 0.37 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.7 | -47.4 | 178.4 | 176.3 | 167.5 | -171.5 | 161.6 | 0 | 113.5 | I227 P229 H238 | I227-K231 WeakPolarHBondContact O-CB 3.38Å; I227-K231 PolarHBondContact O-N 2.93Å; P229-K231 VanDerWaalsContact C-N 3.33Å; P229-K231 PolarHBondContact O-N 2.86Å; K231-H238 WeakPolarHBondContact CE-NE2 3.33Å |
| 232 | S | 88.9 | Confident | 91.9 | Very high | 79 Ų | 79 | 44.8 Ų | 44.8 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -81.3 | -37.1 | 177.7 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | E228 P229 A230 | E228-S232 WeakPolarHBondContact OE2-CB 3.27Å; E228-S232 PolarHBondContact OE2-N 3.5Å; E228-S232 PolarHBondContact OE2-OG 2.93Å; P229-S232 PolarHBondContact O-N 3.49Å; P229-S232 PolarHBondContact O-OG 2.84Å; A230-S232 PolarHBondContact O-N 3.47Å |
| 233 | T | 91.4 | Very high | 91.9 | Very high | 88 Ų | 88 | 45.8 Ų | 45.8 | 54% | 0.54 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -83.4 | -22.9 | -175.7 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | P229 | P229-T233 HydrophobicContact CB-CG2 4.33Å; P229-T233 WeakPolarHBondContact O-CB 3.38Å; P229-T233 WeakPolarHBondContact O-CG2 3.36Å; P229-T233 PolarHBondContact O-N 3.41Å; P229-T233 PolarHBondContact O-OG1 2.94Å |
| 234 | Q | 92.6 | Very high | 92 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 27% | 0.271 | 25% | 0.253 | S | S | . | . | trans | -135.1 | 56.2 | -172.6 | -66.8 | 171.8 | 46.5 | 0 | 0 | 111.4 | A230 A236 Q237 H238 | A230-Q234 CarbonylContact O-C 3.45Å; A230-Q234 WeakPolarHBondContact O-CA 3.14Å; A230-Q234 WeakPolarHBondContact O-CB 3.42Å; A230-Q234 PolarHBondContact O-N 2.94Å; Q234-A236 VanDerWaalsContact C-N 3.32Å; Q234-A236 PolarHBondContact O-N 2.87Å; Q234-Q237 HydrophobicContact CB-CB 4.24Å; Q234-Q237 PolarHBondContact O-N 3.45Å; Q234-Q237 VanDerWaalsContact OE1-OE1 3.05Å; Q234-H238 PolarHBondContact O-N 2.73Å | ||
| 235 | P | 92 | Very high | 92.2 | Very high | 78 Ų | 78 | 42.2 Ų | 42.2 | 51% | 0.506 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.3 | -30.5 | -168.6 | 25.3 | -35.8 | 0 | 0 | 0 | 114.5 | T239 | P235-T239 WeakPolarHBondContact O-CB 3.38Å; P235-T239 PolarHBondContact O-N 2.82Å; P235-T239 PolarHBondContact O-OG1 2.71Å |
| 236 | A | 91.3 | Very high | 92.2 | Very high | 44 Ų | 44 | 44.3 Ų | 44.3 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V181 Q234 T239 F240 | V181-A236 HydrophobicContact CG1-CB 4.45Å; Q234-A236 VanDerWaalsContact C-N 3.32Å; Q234-A236 PolarHBondContact O-N 2.87Å; A236-T239 PolarHBondContact O-N 3.48Å; A236-F240 WeakPolarHBondContact O-CB 3.44Å; A236-F240 PolarHBondContact O-N 3.26Å |
| 237 | Q | 95 | Very high | 92.3 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 2% | 0.023 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.7 | -36.7 | 179.2 | -61.8 | 168.4 | -91.2 | 0 | 0 | 111.1 | F178 V181 K182 Y225 Q234 F240 A241 | F178-Q237 HydrophobicContact CD1-CB 4.15Å; F178-Q237 PolarHBondContact O-NE2 3.4Å; V181-Q237 HydrophobicContact CG1-CG 4.32Å; K182-Q237 HydrophobicContact CB-CG 4.21Å; K182-Q237 VanDerWaalsContact CG-OE1 3.29Å; Y225-Q237 HydrophobicContact CD1-CB 3.64Å; Y225-Q237 HydrophobicContact CE1-CB 3.63Å; Y225-Q237 HydrophobicContact CE1-CG 4.32Å; Y225-Q237 PolarHBondContact OH-NE2 2.81Å; Q234-Q237 HydrophobicContact CB-CB 4.24Å; Q234-Q237 PolarHBondContact O-N 3.45Å; Q234-Q237 VanDerWaalsContact OE1-OE1 3.05Å; Q237-F240 PolarHBondContact O-N 3.44Å; Q237-A241 WeakPolarHBondContact O-CB 3.29Å; Q237-A241 PolarHBondContact O-N 3.14Å |
| 238 | H | 94.3 | Very high | 92.4 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 12% | 0.12 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.8 | -49.4 | 169.1 | 177.6 | 67.9 | 0 | 0 | 0 | 112.2 | Y225 L226 K231 Q234 F240 A241 R242 | Y225-H238 PolarHBondContact O-ND1 2.9Å; L226-H238 PolarHBondContact O-CE1 2.91Å; K231-H238 WeakPolarHBondContact CE-NE2 3.33Å; Q234-H238 PolarHBondContact O-N 2.73Å; H238-F240 VanDerWaalsContact C-N 3.32Å; H238-F240 PolarHBondContact O-N 2.7Å; H238-A241 PolarHBondContact O-N 2.94Å; H238-R242 PolarHBondContact O-N 2.81Å |
| 239 | T | 93.3 | Very high | 92.6 | Very high | 57 Ų | 57 | 43.6 Ų | 43.6 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.8 | -38.6 | 179.6 | -51.7 | 0 | 0 | 0 | 0 | 111 | P235 A236 D243 | P235-T239 WeakPolarHBondContact O-CB 3.38Å; P235-T239 PolarHBondContact O-N 2.82Å; P235-T239 PolarHBondContact O-OG1 2.71Å; A236-T239 PolarHBondContact O-N 3.48Å; T239-D243 WeakPolarHBondContact O-CB 3.46Å; T239-D243 VanDerWaalsContact O-CG 3.27Å; T239-D243 PolarHBondContact O-N 2.94Å |
| 240 | F | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.7 | -45.3 | 175.1 | -167.7 | -86.5 | 0 | 0 | 0 | 112.5 | V177 F178 V181 R196 I199 L200 A203 A236 Q237 H238 R242 D243 L244 | V177-F240 HydrophobicContact CG1-CD1 4.33Å; V177-F240 HydrophobicContact CG1-CE1 3.36Å; V177-F240 HydrophobicContact CG1-CE2 4.35Å; V177-F240 HydrophobicContact CG1-CZ 3.38Å; F178-F240 HydrophobicContact CE1-CD1 4.24Å; F178-F240 HydrophobicContact CE2-CD1 4.18Å; F178-F240 HydrophobicContact CE2-CE1 4.38Å; F178-F240 AromaticContact CZ-CD1 3.94Å; F178-F240 HydrophobicContact CZ-CD1 3.94Å; V181-F240 HydrophobicContact CG1-CB 3.92Å; V181-F240 HydrophobicContact CG1-CD2 4.2Å; V181-F240 HydrophobicContact CG1-CG 4.15Å; V181-F240 HydrophobicContact CG2-CD2 3.78Å; V181-F240 HydrophobicContact CG2-CE2 3.94Å; V181-F240 HydrophobicContact CG2-CG 4.17Å; V181-F240 HydrophobicContact CG2-CZ 4.46Å; R196-F240 HydrophobicContact CG-CD2 4.16Å; I199-F240 HydrophobicContact CB-CE2 4.46Å; I199-F240 HydrophobicContact CG2-CE2 3.96Å; I199-F240 HydrophobicContact CG2-CZ 4.01Å; L200-F240 HydrophobicContact CB-CE2 3.75Å; L200-F240 HydrophobicContact CB-CZ 4.2Å; L200-F240 HydrophobicContact CD1-CD2 4.34Å; L200-F240 HydrophobicContact CD1-CE1 4.27Å; L200-F240 HydrophobicContact CD1-CE2 3.89Å; L200-F240 HydrophobicContact CD1-CZ 3.85Å; L200-F240 HydrophobicContact CG-CE2 4.42Å; A203-F240 HydrophobicContact CB-CE1 4.44Å; A203-F240 HydrophobicContact CB-CZ 4.1Å; A236-F240 WeakPolarHBondContact O-CB 3.44Å; A236-F240 PolarHBondContact O-N 3.26Å; Q237-F240 PolarHBondContact O-N 3.44Å; H238-F240 VanDerWaalsContact C-N 3.32Å; H238-F240 PolarHBondContact O-N 2.7Å; F240-R242 VanDerWaalsContact C-N 3.34Å; F240-R242 PolarHBondContact O-N 2.75Å; F240-D243 PolarHBondContact O-N 3.24Å; F240-L244 HydrophobicContact CE1-CD2 4.25Å; F240-L244 WeakPolarHBondContact O-CB 3.38Å; F240-L244 PolarHBondContact O-N 3.23Å |
| 241 | A | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.9 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F178 I222 L226 Q237 H238 L244 I245 | F178-A241 HydrophobicContact CE1-CB 3.85Å; F178-A241 HydrophobicContact CZ-CB 3.83Å; I222-A241 HydrophobicContact CG2-CB 4.27Å; L226-A241 HydrophobicContact CD2-CB 4.07Å; Q237-A241 WeakPolarHBondContact O-CB 3.29Å; Q237-A241 PolarHBondContact O-N 3.14Å; H238-A241 PolarHBondContact O-N 2.94Å; A241-L244 PolarHBondContact O-N 3.43Å; A241-I245 VanDerWaalsContact O-CG1 3.31Å; A241-I245 WeakPolarHBondContact O-CG1 3.46Å; A241-I245 PolarHBondContact O-N 3Å |
| 242 | R | 95.2 | Very high | 92.9 | Very high | 100 Ų | 100 | 42.7 Ų | 42.7 | 38% | 0.377 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.5 | -54.3 | 174.9 | 172.4 | -176.3 | 177.9 | -77.3 | -3 | 111.5 | H238 F240 L244 I245 I246 I313 | H238-R242 PolarHBondContact O-N 2.81Å; F240-R242 VanDerWaalsContact C-N 3.34Å; F240-R242 PolarHBondContact O-N 2.75Å; R242-L244 VanDerWaalsContact C-N 3.28Å; R242-L244 PolarHBondContact O-N 2.72Å; R242-I245 PolarHBondContact O-N 3.19Å; R242-I246 HydrophobicContact CG-CD1 3.88Å; R242-I246 WeakPolarHBondContact O-CG1 3.37Å; R242-I246 PolarHBondContact O-N 3.3Å; R242-I246 VanDerWaalsContact O-N 3.07Å; R242-I313 HydrophobicContact CB-CD1 4.28Å; R242-I313 HydrophobicContact CG-CD1 4.11Å; R242-I313 HydrophobicContact CG-CG1 4.06Å; R242-I313 HydrophobicContact CG-CG2 4.3Å |
| 243 | D | 94.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 40.9 Ų | 40.9 | 12% | 0.123 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.3 | -27.7 | -174.2 | -65.5 | -2.8 | 0 | 0 | 0 | 111.7 | R196 L200 T239 F240 R247 | R196-D243 IonicContact CZ-OD2 2.83Å; R196-D243 IonicContact NH1-OD2 3.21Å; R196-D243 PolarHBondContact NH1-OD2 3.44Å; R196-D243 IonicContact NH2-OD2 3.16Å; R196-D243 PolarHBondContact NH2-OD2 3.27Å; L200-D243 HydrophobicContact CD2-CB 3.87Å; T239-D243 WeakPolarHBondContact O-CB 3.46Å; T239-D243 VanDerWaalsContact O-CG 3.27Å; T239-D243 PolarHBondContact O-N 2.94Å; F240-D243 PolarHBondContact O-N 3.24Å; D243-R247 WeakPolarHBondContact O-CB 3.21Å; D243-R247 VanDerWaalsContact O-CG 3.31Å; D243-R247 WeakPolarHBondContact O-CG 3.31Å; D243-R247 PolarHBondContact O-N 3.38Å |
| 244 | L | 95.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.8 | -48.6 | 171.5 | -173.9 | 67.1 | 0 | 0 | 0 | 111.6 | F178 L200 A203 V204 I207 I222 F240 A241 R242 I246 R247 T248 | F178-L244 HydrophobicContact CE2-CD2 4.12Å; F178-L244 HydrophobicContact CZ-CD2 4.4Å; L200-L244 HydrophobicContact CD1-CB 3.93Å; L200-L244 HydrophobicContact CD1-CD1 3.93Å; A203-L244 HydrophobicContact CB-CD1 3.97Å; V204-L244 HydrophobicContact CG2-CD1 3.88Å; I207-L244 HydrophobicContact CD1-CD1 4.03Å; I207-L244 HydrophobicContact CD1-CD2 3.89Å; I207-L244 HydrophobicContact CD1-CG 4.12Å; I222-L244 HydrophobicContact CD1-CD2 4.21Å; F240-L244 HydrophobicContact CE1-CD2 4.25Å; F240-L244 WeakPolarHBondContact O-CB 3.38Å; F240-L244 PolarHBondContact O-N 3.23Å; A241-L244 PolarHBondContact O-N 3.43Å; R242-L244 VanDerWaalsContact C-N 3.28Å; R242-L244 PolarHBondContact O-N 2.72Å; L244-I246 PolarHBondContact O-N 3.01Å; L244-R247 PolarHBondContact O-N 3.17Å; L244-R247 VanDerWaalsContact O-N 3.17Å; L244-T248 PolarHBondContact O-N 3.48Å; L244-T248 PolarHBondContact O-OG1 3.41Å |
| 245 | I | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 178 | -70.6 | 168 | 0 | 0 | 0 | 111.1 | I222 L223 L226 A241 R242 R247 T248 A249 L252 L310 I317 | I222-I245 HydrophobicContact CG2-CD1 4.01Å; I222-I245 HydrophobicContact CG2-CG1 4.03Å; L223-I245 HydrophobicContact CD2-CD1 4.19Å; L226-I245 HydrophobicContact CD1-CD1 3.78Å; L226-I245 HydrophobicContact CD2-CD1 4.18Å; L226-I245 HydrophobicContact CG-CD1 4.33Å; A241-I245 VanDerWaalsContact O-CG1 3.31Å; A241-I245 WeakPolarHBondContact O-CG1 3.46Å; A241-I245 PolarHBondContact O-N 3Å; R242-I245 PolarHBondContact O-N 3.19Å; I245-R247 PolarHBondContact O-N 3.29Å; I245-T248 CarbonylContact O-C 3.52Å; I245-T248 PolarHBondContact O-N 3.01Å; I245-A249 WeakPolarHBondContact O-CA 3.48Å; I245-A249 PolarHBondContact O-N 3.15Å; I245-L252 HydrophobicContact CG1-CD1 4.08Å; I245-L310 HydrophobicContact CD1-CD2 4.31Å; I245-L310 HydrophobicContact CG2-CD2 4.4Å; I245-I317 HydrophobicContact CG2-CD1 3.91Å |
| 246 | I | 93.5 | Very high | 92.5 | Very high | 62 Ų | 62 | 41.5 Ų | 41.5 | 32% | 0.318 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.6 | -35.9 | 177.4 | -68 | 166.1 | 0 | 0 | 0 | 111.5 | R242 L244 I313 | R242-I246 HydrophobicContact CG-CD1 3.88Å; R242-I246 WeakPolarHBondContact O-CG1 3.37Å; R242-I246 PolarHBondContact O-N 3.3Å; R242-I246 VanDerWaalsContact O-N 3.07Å; L244-I246 PolarHBondContact O-N 3.01Å; I246-I313 HydrophobicContact CD1-CG2 3.98Å; I246-I313 HydrophobicContact CG1-CG2 3.57Å |
| 247 | R | 94.3 | Very high | 92.5 | Very high | 93 Ų | 93 | 40.7 Ų | 40.7 | 35% | 0.351 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -92.7 | -6.8 | -175.4 | -69.7 | -174.5 | 66.3 | -167 | 0.8 | 115.2 | D201 V204 D243 L244 I245 | D201-R247 IonicContact OD1-CZ 3.66Å; D201-R247 IonicContact OD1-NH1 3.91Å; D201-R247 PolarHBondContact OD1-NH1 3.02Å; D201-R247 IonicContact OD1-NH2 3.75Å; D201-R247 PolarHBondContact OD1-NH2 3.31Å; V204-R247 HydrophobicContact CG1-CB 4.43Å; V204-R247 HydrophobicContact CG2-CB 3.75Å; D243-R247 WeakPolarHBondContact O-CB 3.21Å; D243-R247 VanDerWaalsContact O-CG 3.31Å; D243-R247 WeakPolarHBondContact O-CG 3.31Å; D243-R247 PolarHBondContact O-N 3.38Å; L244-R247 PolarHBondContact O-N 3.17Å; L244-R247 VanDerWaalsContact O-N 3.17Å; I245-R247 PolarHBondContact O-N 3.29Å |
| 248 | T | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -129.2 | 28.8 | 176.4 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | V204 I207 I208 L244 I245 D250 Q251 L252 | V204-T248 HydrophobicContact CB-CG2 4.23Å; V204-T248 HydrophobicContact CG1-CG2 3.99Å; V204-T248 HydrophobicContact CG2-CG2 4.09Å; I207-T248 HydrophobicContact CB-CG2 4.11Å; I207-T248 HydrophobicContact CG2-CG2 3.75Å; I208-T248 HydrophobicContact CG1-CG2 4.18Å; L244-T248 PolarHBondContact O-N 3.48Å; L244-T248 PolarHBondContact O-OG1 3.41Å; I245-T248 CarbonylContact O-C 3.52Å; I245-T248 PolarHBondContact O-N 3.01Å; T248-D250 PolarHBondContact O-N 3.49Å; T248-Q251 PolarHBondContact O-N 2.88Å; T248-Q251 PolarHBondContact O-OE1 3.38Å; T248-L252 WeakPolarHBondContact O-CB 3.35Å; T248-L252 WeakPolarHBondContact O-CG 3.3Å; T248-L252 PolarHBondContact O-N 2.67Å; T248-L252 WeakPolarHBondContact OG1-CD1 3.49Å |
| 249 | A | 89.6 | Confident | 91.8 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.8 | -47.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I245 Q251 L252 E253 | I245-A249 WeakPolarHBondContact O-CA 3.48Å; I245-A249 PolarHBondContact O-N 3.15Å; A249-Q251 VanDerWaalsContact C-N 3.25Å; A249-Q251 PolarHBondContact O-N 3.1Å; A249-L252 PolarHBondContact O-N 3.48Å; A249-E253 WeakPolarHBondContact O-CA 3.5Å; A249-E253 WeakPolarHBondContact O-CB 3.19Å; A249-E253 PolarHBondContact O-N 2.97Å |
| 250 | D | 87.9 | Confident | 91.5 | Very high | 140 Ų | 140 | 41 Ų | 41 | 75% | 0.749 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -59.9 | -35.4 | -177.8 | -49.7 | -33.5 | 0 | 0 | 0 | 112.4 | T248 | T248-D250 PolarHBondContact O-N 3.49Å |
| 251 | Q | 91.1 | Very high | 91 | Very high | 31 Ų | 31 | 44 Ų | 44 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -84.1 | -31.6 | -179.3 | -62.3 | 77.2 | 29.3 | 0 | 0 | 112.9 | I208 E211 L214 T248 A249 | I208-Q251 HydrophobicContact CG1-CG 4.43Å; E211-Q251 HydrophobicContact CB-CG 4.41Å; E211-Q251 HydrophobicContact CG-CB 4.01Å; E211-Q251 HydrophobicContact CG-CG 4.12Å; L214-Q251 HydrophobicContact CD1-CB 4.4Å; T248-Q251 PolarHBondContact O-N 2.88Å; T248-Q251 PolarHBondContact O-OE1 3.38Å; A249-Q251 VanDerWaalsContact C-N 3.25Å; A249-Q251 PolarHBondContact O-N 3.1Å |
| 252 | L | 91 | Very high | 90.4 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -91.7 | -26.3 | -179 | -69.8 | 177.4 | 0 | 0 | 0 | 113.6 | L214 V219 I245 T248 A249 Y254 R255 I256 | L214-L252 HydrophobicContact CD1-CD2 4.01Å; V219-L252 HydrophobicContact CG2-CD2 4.02Å; I245-L252 HydrophobicContact CG1-CD1 4.08Å; T248-L252 WeakPolarHBondContact O-CB 3.35Å; T248-L252 WeakPolarHBondContact O-CG 3.3Å; T248-L252 PolarHBondContact O-N 2.67Å; T248-L252 WeakPolarHBondContact OG1-CD1 3.49Å; A249-L252 PolarHBondContact O-N 3.48Å; L252-Y254 PolarHBondContact O-N 2.85Å; L252-R255 PolarHBondContact O-N 3.48Å; L252-R255 VanDerWaalsContact O-N 3.14Å; L252-I256 HydrophobicContact CB-CD1 3.81Å; L252-I256 HydrophobicContact CB-CG1 4.36Å; L252-I256 WeakPolarHBondContact O-CB 3.14Å; L252-I256 VanDerWaalsContact O-CG1 3.29Å; L252-I256 WeakPolarHBondContact O-CG1 3.35Å; L252-I256 PolarHBondContact O-N 2.93Å |
| 253 | E | 89.4 | Confident | 89.8 | Confident | 41 Ų | 41 | 43.8 Ų | 43.8 | 19% | 0.192 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.2 | -50 | -169 | 178.1 | 160.9 | 152.2 | 0 | 0 | 111.4 | A249 R255 I256 Q257 S316 I317 | A249-E253 WeakPolarHBondContact O-CA 3.5Å; A249-E253 WeakPolarHBondContact O-CB 3.19Å; A249-E253 PolarHBondContact O-N 2.97Å; E253-R255 PolarHBondContact O-N 2.84Å; E253-I256 PolarHBondContact O-N 3.39Å; E253-Q257 HydrophobicContact CG-CG 4.39Å; E253-Q257 VanDerWaalsContact O-CB 3.32Å; E253-Q257 WeakPolarHBondContact O-CB 3.35Å; E253-Q257 VanDerWaalsContact O-CG 3.23Å; E253-Q257 WeakPolarHBondContact O-CG 3.36Å; E253-Q257 PolarHBondContact O-N 2.88Å; E253-Q257 PolarHBondContact OE1-NE2 3.36Å; E253-S316 PolarHBondContact OE2-OG 2.71Å; E253-I317 HydrophobicContact CB-CG1 4.27Å; E253-I317 HydrophobicContact CG-CB 4.29Å; E253-I317 HydrophobicContact CG-CG1 4.06Å; E253-I317 HydrophobicContact CG-CG2 4.35Å; E253-I317 WeakPolarHBondContact OE2-CA 3.31Å; E253-I317 VanDerWaalsContact OE2-CG1 3.25Å; E253-I317 WeakPolarHBondContact OE2-CG1 3.12Å; E253-I317 PolarHBondContact OE2-N 2.87Å |
| 254 | Y | 88.9 | Confident | 89.2 | Confident | 144 Ų | 144 | 43 Ų | 43 | 57% | 0.565 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -61.6 | -41.9 | 176.4 | 175.9 | -110.1 | 0 | 0 | 0 | 112.8 | L252 Q257 M258 | L252-Y254 PolarHBondContact O-N 2.85Å; Y254-Q257 PolarHBondContact O-N 3.35Å; Y254-M258 HydrophobicContact CD2-CG 4.06Å; Y254-M258 HydrophobicContact CE1-CG 4.06Å; Y254-M258 HydrophobicContact CE2-CG 3.53Å; Y254-M258 HydrophobicContact CE2-SD 3.98Å; Y254-M258 WeakPolarHBondContact O-CB 3.35Å; Y254-M258 WeakPolarHBondContact O-CG 3.42Å; Y254-M258 PolarHBondContact O-N 2.99Å |
| 255 | R | 88.3 | Confident | 88.2 | Confident | 93 Ų | 93 | 47.5 Ų | 47.5 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 179 | -63.7 | -61.1 | -165.7 | -177.6 | 8.6 | 111.5 | K212 L214 V219 L252 E253 L259 | K212-R255 PolarHBondContact O-NH2 2.64Å; L214-R255 PolarHBondContact O-NE 2.74Å; V219-R255 HydrophobicContact CG2-CB 4.17Å; L252-R255 PolarHBondContact O-N 3.48Å; L252-R255 VanDerWaalsContact O-N 3.14Å; E253-R255 PolarHBondContact O-N 2.84Å; R255-L259 WeakPolarHBondContact O-CB 3.44Å; R255-L259 PolarHBondContact O-N 3.46Å |
| 256 | I | 91 | Very high | 86.8 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 176.4 | -70.6 | 172 | 0 | 0 | 0 | 110.7 | V219 L223 L252 E253 L259 L260 L310 I317 | V219-I256 HydrophobicContact CG1-CG1 3.67Å; L223-I256 HydrophobicContact CD1-CG1 4.43Å; L223-I256 HydrophobicContact CD2-CD1 4.21Å; L223-I256 HydrophobicContact CD2-CG1 4.42Å; L252-I256 HydrophobicContact CB-CD1 3.81Å; L252-I256 HydrophobicContact CB-CG1 4.36Å; L252-I256 WeakPolarHBondContact O-CB 3.14Å; L252-I256 VanDerWaalsContact O-CG1 3.29Å; L252-I256 WeakPolarHBondContact O-CG1 3.35Å; L252-I256 PolarHBondContact O-N 2.93Å; E253-I256 PolarHBondContact O-N 3.39Å; I256-L259 PolarHBondContact O-N 2.88Å; I256-L260 HydrophobicContact CG2-CD1 3.64Å; I256-L260 HydrophobicContact CG2-CG 4.43Å; I256-L260 WeakPolarHBondContact O-CB 3.4Å; I256-L260 WeakPolarHBondContact O-CG 3.31Å; I256-L260 PolarHBondContact O-N 2.98Å; I256-L310 HydrophobicContact CG2-CD1 3.58Å; I256-I317 HydrophobicContact CB-CG2 4.24Å; I256-I317 HydrophobicContact CG2-CG2 3.67Å |
| 257 | Q | 89.4 | Confident | 85 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 12% | 0.121 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -51.4 | 177.7 | -76.7 | 168.5 | 2.2 | 0 | 0 | 111.6 | E253 Y254 L259 L260 Q261 I317 I321 | E253-Q257 HydrophobicContact CG-CG 4.39Å; E253-Q257 VanDerWaalsContact O-CB 3.32Å; E253-Q257 WeakPolarHBondContact O-CB 3.35Å; E253-Q257 VanDerWaalsContact O-CG 3.23Å; E253-Q257 WeakPolarHBondContact O-CG 3.36Å; E253-Q257 PolarHBondContact O-N 2.88Å; E253-Q257 PolarHBondContact OE1-NE2 3.36Å; Y254-Q257 PolarHBondContact O-N 3.35Å; Q257-L259 VanDerWaalsContact C-N 3.34Å; Q257-L259 PolarHBondContact O-N 3.12Å; Q257-L260 PolarHBondContact O-N 2.93Å; Q257-Q261 WeakPolarHBondContact O-CB 3.48Å; Q257-Q261 PolarHBondContact O-N 2.78Å; Q257-I317 VanDerWaalsContact CG-O 3.24Å; Q257-I317 WeakPolarHBondContact CG-O 3.46Å; Q257-I317 PolarHBondContact NE2-O 2.74Å; Q257-I321 HydrophobicContact CG-CD1 4.23Å; Q257-I321 HydrophobicContact CG-CG1 4.15Å |
| 258 | M | 86.7 | Confident | 82.5 | Confident | 72 Ų | 72 | 52.9 Ų | 52.9 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 176 | -75.3 | -60.1 | -55.5 | 0 | 0 | 112 | Y254 Q261 N262 | Y254-M258 HydrophobicContact CD2-CG 4.06Å; Y254-M258 HydrophobicContact CE1-CG 4.06Å; Y254-M258 HydrophobicContact CE2-CG 3.53Å; Y254-M258 HydrophobicContact CE2-SD 3.98Å; Y254-M258 WeakPolarHBondContact O-CB 3.35Å; Y254-M258 WeakPolarHBondContact O-CG 3.42Å; Y254-M258 PolarHBondContact O-N 2.99Å; M258-Q261 PolarHBondContact O-N 3.03Å; M258-N262 WeakPolarHBondContact O-CB 3.42Å; M258-N262 PolarHBondContact O-N 3.22Å; M258-N262 PolarHBondContact O-ND2 3.47Å |
| 259 | L | 87.8 | Confident | 79.5 | Confident | 23 Ų | 23 | 58.9 Ų | 58.9 | 12% | 0.12 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -49 | 179.2 | 176.2 | 61.5 | 0 | 0 | 0 | 112.2 | S216 V219 L223 R255 I256 Q257 S263 L299 | S216-L259 WeakPolarHBondContact OG-CD1 3.25Å; V219-L259 HydrophobicContact CB-CD2 4.26Å; V219-L259 HydrophobicContact CG1-CD2 3.78Å; L223-L259 HydrophobicContact CD1-CD2 3.93Å; R255-L259 WeakPolarHBondContact O-CB 3.44Å; R255-L259 PolarHBondContact O-N 3.46Å; I256-L259 PolarHBondContact O-N 2.88Å; Q257-L259 VanDerWaalsContact C-N 3.34Å; Q257-L259 PolarHBondContact O-N 3.12Å; L259-S263 WeakPolarHBondContact O-CB 3.23Å; L259-S263 PolarHBondContact O-N 3.36Å; L259-L299 HydrophobicContact CD1-CD2 3.94Å; L259-L299 HydrophobicContact CD2-CD2 3.94Å; L259-L299 HydrophobicContact CG-CD2 3.55Å |
| 260 | L | 87.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.6 | -36.3 | 179.4 | -71.2 | 169.3 | 0 | 0 | 0 | 112.5 | I256 Q257 S263 L264 L299 A303 I306 I307 L310 I321 | I256-L260 HydrophobicContact CG2-CD1 3.64Å; I256-L260 HydrophobicContact CG2-CG 4.43Å; I256-L260 WeakPolarHBondContact O-CB 3.4Å; I256-L260 WeakPolarHBondContact O-CG 3.31Å; I256-L260 PolarHBondContact O-N 2.98Å; Q257-L260 PolarHBondContact O-N 2.93Å; L260-S263 PolarHBondContact O-N 2.94Å; L260-L264 WeakPolarHBondContact O-CB 3.5Å; L260-L264 VanDerWaalsContact O-CG 3.27Å; L260-L264 WeakPolarHBondContact O-CG 3.12Å; L260-L264 PolarHBondContact O-N 3.49Å; L260-L299 HydrophobicContact CD2-CD2 3.9Å; L260-A303 HydrophobicContact CD2-CB 4.19Å; L260-I306 HydrophobicContact CD2-CB 4.48Å; L260-I306 HydrophobicContact CD2-CG2 4.17Å; L260-I307 HydrophobicContact CD1-CG1 3.97Å; L260-I307 HydrophobicContact CD2-CG1 4.16Å; L260-L310 HydrophobicContact CD1-CD1 3.64Å; L260-I321 HydrophobicContact CB-CD1 3.9Å; L260-I321 HydrophobicContact CD1-CD1 3.66Å; L260-I321 HydrophobicContact CG-CD1 4.44Å |
| 261 | Q | 85.7 | Confident | 73.9 | Confident | 62 Ų | 62 | 63.3 Ų | 63.3 | 29% | 0.29 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.1 | -38.9 | 177 | -172.9 | 158.9 | -0.2 | 0 | 0 | 111.4 | Q257 M258 I265 T324 | Q257-Q261 WeakPolarHBondContact O-CB 3.48Å; Q257-Q261 PolarHBondContact O-N 2.78Å; M258-Q261 PolarHBondContact O-N 3.03Å; Q261-I265 HydrophobicContact CG-CD1 3.69Å; Q261-I265 HydrophobicContact CG-CG1 4.47Å; Q261-I265 WeakPolarHBondContact O-CB 3.44Å; Q261-I265 VanDerWaalsContact O-CG1 3.25Å; Q261-I265 WeakPolarHBondContact O-CG1 3.42Å; Q261-I265 PolarHBondContact O-N 3.02Å; Q261-T324 HydrophobicContact CG-CG2 4.45Å; Q261-T324 PolarHBondContact NE2-OG1 3.12Å |
| 262 | N | 83.4 | Confident | 70.9 | Confident | 81 Ų | 81 | 68.5 Ų | 68.5 | 43% | 0.433 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62 | -52 | 170 | -73.3 | -12.2 | 0 | 0 | 0 | 111 | M258 L264 I265 V266 | M258-N262 WeakPolarHBondContact O-CB 3.42Å; M258-N262 PolarHBondContact O-N 3.22Å; M258-N262 PolarHBondContact O-ND2 3.47Å; N262-L264 VanDerWaalsContact C-N 3.29Å; N262-L264 PolarHBondContact O-N 2.86Å; N262-I265 PolarHBondContact O-N 3.31Å; N262-I265 VanDerWaalsContact O-N 3.16Å; N262-V266 VanDerWaalsContact O-CB 3.24Å; N262-V266 WeakPolarHBondContact O-CB 3.32Å; N262-V266 WeakPolarHBondContact O-CG2 3.3Å; N262-V266 PolarHBondContact O-N 3.31Å |
| 263 | S | 82.3 | Confident | 68 | Low | 15 Ų | 15 | 77.1 Ų | 77.1 | 11% | 0.105 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -57.9 | -40.2 | 178.9 | -179.2 | 0 | 0 | 0 | 0 | 112.4 | L259 L260 G267 G300 | L259-S263 WeakPolarHBondContact O-CB 3.23Å; L259-S263 PolarHBondContact O-N 3.36Å; L260-S263 PolarHBondContact O-N 2.94Å; S263-G267 PolarHBondContact O-N 3.19Å; S263-G300 WeakPolarHBondContact OG-CA 3.24Å; S263-G300 PolarHBondContact OG-N 2.95Å |
| 264 | L | 81.3 | Confident | 65 | Low | 8 Ų | 8 | 83.1 Ų | 83.1 | 4% | 0.042 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.7 | -52.7 | 172.5 | -73.5 | 172.8 | 0 | 0 | 0 | 111.8 | L260 N262 F304 I307 I321 T324 I325 K328 | L260-L264 WeakPolarHBondContact O-CB 3.5Å; L260-L264 VanDerWaalsContact O-CG 3.27Å; L260-L264 WeakPolarHBondContact O-CG 3.12Å; L260-L264 PolarHBondContact O-N 3.49Å; N262-L264 VanDerWaalsContact C-N 3.29Å; N262-L264 PolarHBondContact O-N 2.86Å; L264-F304 HydrophobicContact CD2-CE1 4.17Å; L264-F304 HydrophobicContact CD2-CE2 4.04Å; L264-F304 HydrophobicContact CD2-CZ 3.72Å; L264-I307 HydrophobicContact CD1-CD1 4.01Å; L264-I321 HydrophobicContact CD1-CG2 3.72Å; L264-T324 HydrophobicContact CB-CG2 3.96Å; L264-T324 HydrophobicContact CD1-CG2 3.93Å; L264-I325 HydrophobicContact CD1-CG1 4.24Å; L264-K328 WeakPolarHBondContact O-CE 3.17Å; L264-K328 PolarHBondContact O-NZ 3.22Å |
| 265 | I | 75.6 | Confident | 62.3 | Low | 97 Ų | 97 | 86.2 Ų | 86.2 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71 | -45.5 | -172.4 | -67.5 | 171 | 0 | 0 | 0 | 111.9 | Q261 N262 T324 | Q261-I265 HydrophobicContact CG-CD1 3.69Å; Q261-I265 HydrophobicContact CG-CG1 4.47Å; Q261-I265 WeakPolarHBondContact O-CB 3.44Å; Q261-I265 VanDerWaalsContact O-CG1 3.25Å; Q261-I265 WeakPolarHBondContact O-CG1 3.42Å; Q261-I265 PolarHBondContact O-N 3.02Å; N262-I265 PolarHBondContact O-N 3.31Å; N262-I265 VanDerWaalsContact O-N 3.16Å; I265-T324 HydrophobicContact CD1-CG2 4.42Å; I265-T324 HydrophobicContact CG1-CG2 4.03Å |
| 266 | V | 64.8 | Low | 59.4 | Low | 102 Ų | 102 | 86.7 Ų | 86.7 | 62% | 0.618 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -86.6 | -2.7 | -168.7 | -173.2 | 0 | 0 | 0 | 0 | 113.1 | N262 K268 | N262-V266 VanDerWaalsContact O-CB 3.24Å; N262-V266 WeakPolarHBondContact O-CB 3.32Å; N262-V266 WeakPolarHBondContact O-CG2 3.3Å; N262-V266 PolarHBondContact O-N 3.31Å; V266-K268 PolarHBondContact O-N 3.02Å |
| 267 | G | 55.2 | Low | 56.6 | Low | 44 Ų | 44 | 95 Ų | 95 | 45% | 0.454 | 52% | 0.521 | S | S | . | . | trans | -65 | 34.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | S263 | S263-G267 PolarHBondContact O-N 3.19Š| ||
| 268 | K | 41.6 | Very low | 53.8 | Low | 122 Ų | 122 | 100.7 Ų | 100.7 | 53% | 0.53 | 55% | 0.552 | S | S | . | * | trans | -155.8 | 123.6 | 175.4 | -102.1 | 177.4 | 152.4 | 173 | 0 | 109.3 | V266 I333 | V266-K268 PolarHBondContact O-N 3.02Å; K268-I333 HydrophobicContact CD-CD1 4.01Å; K268-I333 VanDerWaalsContact NZ-CD1 3.34Å | ||
| 269 | C | 31.8 | Very low | 51.2 | Low | 126 Ų | 126 | 102.2 Ų | 102.2 | 85% | 0.851 | 57% | 0.569 | S | S | * | * | trans | 164.4 | 14 | 132.1 | -88.1 | 0 | 0 | 0 | 0 | 115.7 | G271 | C269-G271 PolarHBondContact O-N 3.08Š| ||
| 270 | N | 30.2 | Very low | 48.5 | Very low | 172 Ų | 172 | 107 Ų | 107 | 92% | 0.92 | 61% | 0.605 | S | S | * | * | trans | -71.6 | 74.8 | 164.3 | -77.8 | 7.8 | 0 | 0 | 0 | 110.9 | T272 | N270-T272 PolarHBondContact O-N 2.73Š| ||
| 271 | G | 28.3 | Very low | 45.6 | Very low | 67 Ų | 67 | 111.2 Ų | 111.2 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | trans | -83.2 | 82.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | C269 Q273 | C269-G271 PolarHBondContact O-N 3.08Å; G271-Q273 PolarHBondContact O-N 2.87Å | ||
| 272 | T | 29.5 | Very low | 42.8 | Very low | 140 Ų | 140 | 111.7 Ų | 111.7 | 86% | 0.859 | 67% | 0.67 | S | S | * | * | trans | -63.8 | 127.2 | 167.5 | -53.5 | 0 | 0 | 0 | 0 | 109.2 | N270 | N270-T272 PolarHBondContact O-N 2.73Š| ||
| 273 | Q | 29.4 | Very low | 40.2 | Very low | 183 Ų | 183 | 114.4 Ų | 114.4 | 86% | 0.855 | 68% | 0.683 | S | S | * | * | trans | -70 | 164.2 | -171.7 | -69.1 | -179 | -8.6 | 0 | 0 | 113.5 | G271 | G271-Q273 PolarHBondContact O-N 2.87Š| ||
| 274 | M | 26.2 | Very low | 37.8 | Very low | 167 Ų | 167 | 120.1 Ų | 120.1 | 82% | 0.823 | 72% | 0.72 | S | S | * | * | trans | -43.6 | 134.6 | 179.2 | -53.5 | 174.6 | 76.8 | 0 | 0 | 114.1 | T276 | M274-T276 HydrophobicContact CE-CG2 4.35Š| ||
| 275 | K | 32.4 | Very low | 35.2 | Very low | 209 Ų | 209 | 126.5 Ų | 126.5 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -125.7 | 120.9 | 135.2 | -77.3 | -169 | 176.6 | 178.9 | 0 | 109.7 | ||||
| 276 | T | 27.9 | Very low | 33.1 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 64% | 0.638 | 77% | 0.769 | S | S | * | * | trans | -77.5 | 133.7 | 163.3 | 45.7 | 0 | 0 | 0 | 0 | 109 | M274 | M274-T276 HydrophobicContact CE-CG2 4.35Š| ||
| 277 | E | 32 | Very low | 31.3 | Very low | 176 Ų | 176 | 130 Ų | 130 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | -178.5 | 123 | 117.6 | -97.1 | 164.1 | -155.8 | 0 | 0 | 112.2 | |||||
| 278 | D | 29.8 | Very low | 30.1 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | 49.8 | 111.4 | 139.9 | -66 | 16.5 | 0 | 0 | 0 | 123.5 | ||||
| 279 | S | 32.2 | Very low | 29.4 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | 94 | 149.7 | 121.4 | -67.4 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 280 | S | 30.6 | Very low | 29.3 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | 62.9 | 100.9 | 173.6 | 57.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 281 | G | 27.4 | Very low | 29.2 | Very low | 88 Ų | 88 | 137.5 Ų | 137.5 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -91.9 | 167 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 282 | G | 26.5 | Very low | 29.3 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -176.6 | 111.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 283 | I | 29.5 | Very low | 29.3 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | trans | 48.6 | 110.2 | 156.6 | -47 | 176 | 0 | 0 | 0 | 117.3 | D285 | I283-D285 VanDerWaalsContact C-N 3.32Å; I283-D285 HydrophobicContact CG2-CB 4.16Å; I283-D285 PolarHBondContact O-N 3.49Å | ||
| 284 | P | 31 | Very low | 29.5 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -78.8 | 80.5 | 166.5 | 34 | -32.7 | 0 | 0 | 0 | 110.4 | ||||
| 285 | D | 27.8 | Very low | 29.8 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -89.1 | 156.2 | 170.1 | -114.4 | -39.1 | 0 | 0 | 0 | 111.6 | I283 D287 | I283-D285 VanDerWaalsContact C-N 3.32Å; I283-D285 HydrophobicContact CG2-CB 4.16Å; I283-D285 PolarHBondContact O-N 3.49Å; D285-D287 PolarHBondContact O-N 2.51Å | ||
| 286 | V | 30.8 | Very low | 30.5 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -78.8 | 99.5 | -164.2 | -178.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 287 | D | 26.7 | Very low | 31.5 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -163.5 | 88.9 | 152.8 | -128.8 | -24.5 | 0 | 0 | 0 | 113.3 | D285 | D285-D287 PolarHBondContact O-N 2.51Š| ||
| 288 | E | 30.2 | Very low | 32.4 | Very low | 207 Ų | 207 | 136.2 Ų | 136.2 | 97% | 0.967 | 78% | 0.778 | S | S | * | * | trans | -102 | 90 | 165.8 | -84.6 | -173.9 | 165.5 | 0 | 0 | 109.8 | ||||
| 289 | S | 27.3 | Very low | 33.9 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 58% | 0.58 | 74% | 0.743 | S | S | * | * | trans | -148.1 | 73.6 | 170.9 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 290 | K | 29.8 | Very low | 35.3 | Very low | 193 Ų | 193 | 125.7 Ų | 125.7 | 84% | 0.839 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 179.3 | 151.4 | 148.4 | -101.5 | 145.1 | -160.8 | 162.8 | 0 | 114.2 | ||
| 291 | N | 26.9 | Very low | 37 | Very low | 139 Ų | 139 | 124.3 Ų | 124.3 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | trans | 66.5 | 80.5 | 159 | -55.5 | 1.9 | 0 | 0 | 0 | 117.3 | ||||
| 292 | D | 30.3 | Very low | 39.5 | Very low | 174 Ų | 174 | 123.7 Ų | 123.7 | 93% | 0.93 | 67% | 0.671 | S | S | * | * | trans | -149 | 77.8 | 141.4 | -96 | -32.8 | 0 | 0 | 0 | 107.6 | E294 | D292-E294 PolarHBondContact O-N 3.17Š| ||
| 293 | E | 30.8 | Very low | 42.4 | Very low | 196 Ų | 196 | 120.3 Ų | 120.3 | 92% | 0.916 | 64% | 0.636 | S | S | * | * | trans | -93.3 | 77.2 | 175.4 | -73.8 | -169.7 | 138.8 | 0 | 0 | 110.8 | ||||
| 294 | E | 33.4 | Very low | 45.2 | Very low | 183 Ų | 183 | 115 Ų | 115 | 86% | 0.855 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -165.6 | 124.5 | 154.5 | -111.7 | 161.5 | -145.5 | 0 | 0 | 111.1 | D292 | D292-E294 PolarHBondContact O-N 3.17Š|
| 295 | N | 33.4 | Very low | 47.9 | Very low | 162 Ų | 162 | 112.2 Ų | 112.2 | 87% | 0.866 | 59% | 0.585 | S | S | * | * | trans | 52.6 | 75.7 | -178.7 | -75.9 | -38.7 | 0 | 0 | 0 | 117.5 | D297 | N295-D297 PolarHBondContact O-N 2.68Š| ||
| 296 | P | 45.6 | Very low | 50.9 | Low | 98 Ų | 98 | 105.6 Ų | 105.6 | 64% | 0.636 | 55% | 0.55 | S | S | * | . | trans | -73 | 118.9 | 163.9 | 31 | -32.5 | 0 | 0 | 0 | 111.4 | L298 | P296-L298 HydrophobicContact CB-CD2 4.04Å; P296-L298 HydrophobicContact CB-CG 4.13Å; P296-L298 HydrophobicContact CG-CD2 4.15Å; P296-L298 HydrophobicContact CG-CG 4.1Å; P296-L298 PolarHBondContact O-N 3.24Å | ||
| 297 | D | 48.5 | Very low | 53.8 | Low | 95 Ų | 95 | 99.1 Ų | 99.1 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | trans | -69.1 | 83.4 | 155.7 | 177.6 | 2.1 | 0 | 0 | 0 | 108.1 | N295 L299 G300 | N295-D297 PolarHBondContact O-N 2.68Å; D297-L299 PolarHBondContact O-N 3.39Å; D297-L299 PolarHBondContact OD1-N 3.41Å; D297-G300 VanDerWaalsContact CG-N 3.32Å; D297-G300 PolarHBondContact O-N 3.37Å; D297-G300 VanDerWaalsContact O-N 3.16Å; D297-G300 PolarHBondContact OD1-N 2.86Å; D297-G300 WeakPolarHBondContact OD2-CA 3.38Å | ||
| 298 | L | 51.4 | Low | 56.9 | Low | 111 Ų | 111 | 94.6 Ų | 94.6 | 58% | 0.581 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -19.1 | -176.9 | -72 | 169.2 | 0 | 0 | 0 | 112.9 | P296 H302 | P296-L298 HydrophobicContact CB-CD2 4.04Å; P296-L298 HydrophobicContact CB-CG 4.13Å; P296-L298 HydrophobicContact CG-CD2 4.15Å; P296-L298 HydrophobicContact CG-CG 4.1Å; P296-L298 PolarHBondContact O-N 3.24Å; L298-H302 PolarHBondContact O-CD2 3.24Å |
| 299 | L | 60.9 | Low | 59.8 | Low | 8 Ų | 8 | 85.1 Ų | 85.1 | 4% | 0.042 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -37.3 | 177 | -136.6 | 79.6 | 0 | 0 | 0 | 112.5 | T220 L259 L260 D297 E301 H302 A303 I306 | T220-L299 HydrophobicContact CG2-CD1 4.04Å; L259-L299 HydrophobicContact CD1-CD2 3.94Å; L259-L299 HydrophobicContact CD2-CD2 3.94Å; L259-L299 HydrophobicContact CG-CD2 3.55Å; L260-L299 HydrophobicContact CD2-CD2 3.9Å; D297-L299 PolarHBondContact O-N 3.39Å; D297-L299 PolarHBondContact OD1-N 3.41Å; L299-E301 PolarHBondContact O-N 3.4Å; L299-H302 CarbonylContact O-C 3.6Å; L299-H302 PolarHBondContact O-N 3.04Å; L299-A303 WeakPolarHBondContact O-CA 3.23Å; L299-A303 WeakPolarHBondContact O-CB 3.32Å; L299-A303 PolarHBondContact O-N 3.12Å; L299-I306 HydrophobicContact CD1-CD1 3.49Å; L299-I306 VanDerWaalsContact CD1-CD1 3.49Å; L299-I306 HydrophobicContact CG-CD1 4.01Å |
| 300 | G | 62.2 | Low | 62.9 | Low | 19 Ų | 19 | 81.1 Ų | 81.1 | 20% | 0.196 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -39.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S263 D297 | S263-G300 WeakPolarHBondContact OG-CA 3.24Å; S263-G300 PolarHBondContact OG-N 2.95Å; D297-G300 VanDerWaalsContact CG-N 3.32Å; D297-G300 PolarHBondContact O-N 3.37Å; D297-G300 VanDerWaalsContact O-N 3.16Å; D297-G300 PolarHBondContact OD1-N 2.86Å; D297-G300 WeakPolarHBondContact OD2-CA 3.38Å |
| 301 | E | 65.8 | Low | 65.8 | Low | 95 Ų | 95 | 73.5 Ų | 73.5 | 44% | 0.444 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -32 | 173.5 | -82.4 | -71.7 | 110.5 | 0 | 0 | 112.7 | L299 R335 R339 | L299-E301 PolarHBondContact O-N 3.4Å; E301-R335 IonicContact OE1-CZ 2.73Å; E301-R335 IonicContact OE1-NH2 2.66Å; E301-R335 PolarHBondContact OE1-NH2 3.23Å; E301-R335 IonicContact OE2-NH2 2.65Å; E301-R335 PolarHBondContact OE2-NH2 3Å; E301-R339 IonicContact OE1-CZ 3.53Å; E301-R339 IonicContact OE1-NH1 3.35Å; E301-R339 PolarHBondContact OE1-NH1 3.09Å; E301-R339 IonicContact OE1-NH2 3.06Å; E301-R339 PolarHBondContact OE1-NH2 2.73Å; E301-R339 IonicContact OE2-CZ 2.63Å; E301-R339 IonicContact OE2-NH1 2.69Å; E301-R339 IonicContact OE2-NH2 2.87Å; E301-R339 PolarHBondContact OE2-NH2 3.5Å |
| 302 | H | 81.1 | Confident | 68.8 | Low | 74 Ų | 74 | 70.1 Ų | 70.1 | 34% | 0.343 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -10.3 | -170.4 | -68.3 | -54.1 | 0 | 0 | 0 | 115.4 | I227 L298 L299 F304 L305 I306 | I227-H302 HydrophobicContact CD1-CB 3.7Å; L298-H302 PolarHBondContact O-CD2 3.24Å; L299-H302 CarbonylContact O-C 3.6Å; L299-H302 PolarHBondContact O-N 3.04Å; H302-F304 VanDerWaalsContact C-N 3.27Å; H302-F304 PolarHBondContact O-N 3Å; H302-F304 VanDerWaalsContact O-N 3.12Å; H302-L305 WeakPolarHBondContact O-CA 3.2Å; H302-L305 WeakPolarHBondContact O-CB 3.44Å; H302-L305 PolarHBondContact O-N 3.36Å; H302-I306 HydrophobicContact CB-CD1 4.16Å; H302-I306 HydrophobicContact CB-CG1 4.49Å; H302-I306 PolarHBondContact O-N 2.83Å |
| 303 | A | 86.2 | Confident | 71.6 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.3 | -41.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L260 L299 L305 I306 I307 | L260-A303 HydrophobicContact CD2-CB 4.19Å; L299-A303 WeakPolarHBondContact O-CA 3.23Å; L299-A303 WeakPolarHBondContact O-CB 3.32Å; L299-A303 PolarHBondContact O-N 3.12Å; A303-L305 VanDerWaalsContact C-N 3.3Å; A303-L305 PolarHBondContact O-N 3.25Å; A303-I306 PolarHBondContact O-N 3.35Å; A303-I307 WeakPolarHBondContact O-CB 3.38Å; A303-I307 WeakPolarHBondContact O-CD1 3.4Å; A303-I307 WeakPolarHBondContact O-CG1 3.44Å; A303-I307 PolarHBondContact O-N 2.84Å |
| 304 | F | 88.2 | Confident | 74.3 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.8 | -30.9 | 176.6 | -64.3 | -91 | 0 | 0 | 0 | 113.5 | L264 H302 Y308 R339 L343 | L264-F304 HydrophobicContact CD2-CE1 4.17Å; L264-F304 HydrophobicContact CD2-CE2 4.04Å; L264-F304 HydrophobicContact CD2-CZ 3.72Å; H302-F304 VanDerWaalsContact C-N 3.27Å; H302-F304 PolarHBondContact O-N 3Å; H302-F304 VanDerWaalsContact O-N 3.12Å; F304-Y308 PolarHBondContact O-N 2.94Å; F304-R339 HydrophobicContact CD1-CB 4.01Å; F304-R339 HydrophobicContact CD2-CB 3.97Å; F304-R339 HydrophobicContact CD2-CG 4.35Å; F304-R339 HydrophobicContact CE1-CB 3.87Å; F304-R339 HydrophobicContact CE2-CB 3.83Å; F304-R339 HydrophobicContact CE2-CG 4.39Å; F304-R339 HydrophobicContact CG-CB 4.07Å; F304-R339 HydrophobicContact CZ-CB 3.77Å; F304-L343 HydrophobicContact CB-CD2 4.32Å; F304-L343 HydrophobicContact CD1-CB 4.17Å; F304-L343 HydrophobicContact CD1-CD2 3.77Å; F304-L343 HydrophobicContact CG-CD2 4.49Å; F304-L343 WeakPolarHBondContact O-CD1 3.49Å |
| 305 | L | 87.9 | Confident | 76.8 | Confident | 78 Ų | 78 | 50.5 Ų | 50.5 | 41% | 0.408 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -78.1 | -39 | 175 | -60.5 | 174.8 | 0 | 0 | 0 | 111.3 | I227 H302 A303 Y308 A309 | I227-L305 HydrophobicContact CG2-CB 3.91Å; H302-L305 WeakPolarHBondContact O-CA 3.2Å; H302-L305 WeakPolarHBondContact O-CB 3.44Å; H302-L305 PolarHBondContact O-N 3.36Å; A303-L305 VanDerWaalsContact C-N 3.3Å; A303-L305 PolarHBondContact O-N 3.25Å; L305-Y308 PolarHBondContact O-N 2.82Å; L305-A309 PolarHBondContact O-N 3.39Å |
| 306 | I | 91.2 | Very high | 79.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.1 | -44.6 | 177.1 | -63.9 | 171.3 | 0 | 0 | 0 | 110.4 | L223 I227 L260 L299 H302 A303 Y308 A309 L310 | L223-I306 HydrophobicContact CB-CD1 4.48Å; L223-I306 HydrophobicContact CB-CG2 4.27Å; L223-I306 HydrophobicContact CD1-CG2 4.22Å; L223-I306 HydrophobicContact CD2-CG2 4.01Å; L223-I306 HydrophobicContact CG-CG2 4.4Å; I227-I306 HydrophobicContact CD1-CD1 4.35Å; I227-I306 HydrophobicContact CD1-CG1 4.14Å; I227-I306 HydrophobicContact CG2-CG1 3.72Å; L260-I306 HydrophobicContact CD2-CB 4.48Å; L260-I306 HydrophobicContact CD2-CG2 4.17Å; L299-I306 HydrophobicContact CD1-CD1 3.49Å; L299-I306 VanDerWaalsContact CD1-CD1 3.49Å; L299-I306 HydrophobicContact CG-CD1 4.01Å; H302-I306 HydrophobicContact CB-CD1 4.16Å; H302-I306 HydrophobicContact CB-CG1 4.49Å; H302-I306 PolarHBondContact O-N 2.83Å; A303-I306 PolarHBondContact O-N 3.35Å; I306-Y308 VanDerWaalsContact C-N 3.32Å; I306-Y308 PolarHBondContact O-N 3.18Å; I306-A309 PolarHBondContact O-N 3.4Å; I306-L310 HydrophobicContact CG2-CD1 3.83Å; I306-L310 HydrophobicContact CG2-CG 4.28Å; I306-L310 WeakPolarHBondContact O-CB 3.25Å; I306-L310 WeakPolarHBondContact O-CG 3.09Å; I306-L310 PolarHBondContact O-N 3.07Å |
| 307 | I | 92 | Very high | 81.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | 175 | -69.1 | 160.7 | 0 | 0 | 0 | 111.2 | L260 L264 A303 H311 V318 I321 I325 L343 | L260-I307 HydrophobicContact CD1-CG1 3.97Å; L260-I307 HydrophobicContact CD2-CG1 4.16Å; L264-I307 HydrophobicContact CD1-CD1 4.01Å; A303-I307 WeakPolarHBondContact O-CB 3.38Å; A303-I307 WeakPolarHBondContact O-CD1 3.4Å; A303-I307 WeakPolarHBondContact O-CG1 3.44Å; A303-I307 PolarHBondContact O-N 2.84Å; I307-H311 WeakPolarHBondContact O-CB 3.42Å; I307-H311 PolarHBondContact O-N 3.05Å; I307-V318 HydrophobicContact CG2-CG1 3.66Å; I307-V318 HydrophobicContact CG2-CG2 4.23Å; I307-V318 WeakPolarHBondContact O-CG2 3.38Å; I307-I321 HydrophobicContact CD1-CG2 4.26Å; I307-I325 HydrophobicContact CD1-CD1 4.31Å; I307-I325 HydrophobicContact CG2-CD1 4.03Å; I307-L343 HydrophobicContact CB-CD2 4.12Å; I307-L343 HydrophobicContact CD1-CD2 4.43Å; I307-L343 HydrophobicContact CG2-CD1 4.45Å; I307-L343 HydrophobicContact CG2-CD2 3.84Å |
| 308 | Y | 92 | Very high | 83.5 | Confident | 43 Ų | 43 | 35.9 Ų | 35.9 | 17% | 0.169 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.1 | -46.6 | 174.9 | 175 | -99.5 | 0 | 0 | 0 | 111.9 | F304 L305 I306 L310 H311 T312 R346 L347 E350 | F304-Y308 PolarHBondContact O-N 2.94Å; L305-Y308 PolarHBondContact O-N 2.82Å; I306-Y308 VanDerWaalsContact C-N 3.32Å; I306-Y308 PolarHBondContact O-N 3.18Å; Y308-L310 PolarHBondContact O-N 3.02Å; Y308-H311 PolarHBondContact O-N 3.33Å; Y308-T312 HydrophobicContact CE1-CG2 4.24Å; Y308-T312 HydrophobicContact CE2-CG2 4.23Å; Y308-T312 PolarHBondContact O-N 3.26Å; Y308-T312 VanDerWaalsContact O-N 3.11Å; Y308-R346 HydrophobicContact CD2-CB 3.89Å; Y308-R346 HydrophobicContact CE2-CB 3.7Å; Y308-R346 VanDerWaalsContact CZ-NH2 3.25Å; Y308-R346 PolarHBondContact OH-NH2 3.47Å; Y308-L347 HydrophobicContact CD2-CD2 4.01Å; Y308-E350 HydrophobicContact CE2-CG 4.39Å; Y308-E350 WeakPolarHBondContact CE2-OE1 3.45Å; Y308-E350 PolarHBondContact OH-OE1 3.3Å |
| 309 | A | 91.2 | Very high | 85.3 | Confident | 7 Ų | 7 | 32.9 Ų | 32.9 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L226 L305 I306 H311 T312 I313 | L226-A309 HydrophobicContact CB-CB 3.96Å; L305-A309 PolarHBondContact O-N 3.39Å; I306-A309 PolarHBondContact O-N 3.4Å; A309-H311 VanDerWaalsContact C-N 3.34Å; A309-H311 PolarHBondContact O-N 3.43Å; A309-T312 PolarHBondContact O-N 3.01Å; A309-T312 PolarHBondContact O-OG1 3.49Å; A309-I313 WeakPolarHBondContact O-CG1 3.36Å; A309-I313 PolarHBondContact O-N 2.7Å |
| 310 | L | 92.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -41.8 | 174.9 | -72.6 | 169.4 | 0 | 0 | 0 | 112 | L223 L226 I245 I256 L260 I306 Y308 T312 I313 Q314 I317 V318 | L223-L310 HydrophobicContact CD2-CD1 4.13Å; L223-L310 HydrophobicContact CD2-CD2 3.99Å; L223-L310 HydrophobicContact CD2-CG 4.35Å; L226-L310 HydrophobicContact CD1-CD2 3.74Å; L226-L310 HydrophobicContact CD1-CG 4.08Å; I245-L310 HydrophobicContact CD1-CD2 4.31Å; I245-L310 HydrophobicContact CG2-CD2 4.4Å; I256-L310 HydrophobicContact CG2-CD1 3.58Å; L260-L310 HydrophobicContact CD1-CD1 3.64Å; I306-L310 HydrophobicContact CG2-CD1 3.83Å; I306-L310 HydrophobicContact CG2-CG 4.28Å; I306-L310 WeakPolarHBondContact O-CB 3.25Å; I306-L310 WeakPolarHBondContact O-CG 3.09Å; I306-L310 PolarHBondContact O-N 3.07Å; Y308-L310 PolarHBondContact O-N 3.02Å; L310-T312 VanDerWaalsContact C-N 3.29Å; L310-T312 PolarHBondContact O-N 2.68Å; L310-I313 WeakPolarHBondContact O-CA 3.37Å; L310-I313 WeakPolarHBondContact O-CB 3.35Å; L310-I313 PolarHBondContact O-N 2.57Å; L310-Q314 CarbonylContact O-C 3.55Å; L310-Q314 PolarHBondContact O-N 3.33Å; L310-I317 HydrophobicContact CD1-CG2 4.46Å; L310-V318 HydrophobicContact CB-CG2 3.72Å |
| 311 | H | 90.7 | Very high | 88 | Confident | 32 Ų | 32 | 34.7 Ų | 34.7 | 15% | 0.148 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62 | -37.2 | 177.1 | -168.5 | 88.6 | 0 | 0 | 0 | 112.5 | I307 Y308 A309 I313 V318 L347 | I307-H311 WeakPolarHBondContact O-CB 3.42Å; I307-H311 PolarHBondContact O-N 3.05Å; Y308-H311 PolarHBondContact O-N 3.33Å; A309-H311 VanDerWaalsContact C-N 3.34Å; A309-H311 PolarHBondContact O-N 3.43Å; H311-I313 PolarHBondContact O-N 2.93Å; H311-V318 HydrophobicContact CB-CB 4.4Å; H311-V318 HydrophobicContact CB-CG1 4.4Å; H311-V318 HydrophobicContact CB-CG2 4.1Å; H311-L347 HydrophobicContact CB-CD2 3.63Å; H311-L347 VanDerWaalsContact CD2-CD2 3.49Å; H311-L347 WeakPolarHBondContact CD2-CD2 3.46Å; H311-L347 VanDerWaalsContact CG-CD2 3.47Å |
| 312 | T | 88.5 | Confident | 89.2 | Confident | 69 Ų | 69 | 30.5 Ų | 30.5 | 42% | 0.423 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -8.3 | 173.9 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | Y308 A309 L310 | Y308-T312 HydrophobicContact CE1-CG2 4.24Å; Y308-T312 HydrophobicContact CE2-CG2 4.23Å; Y308-T312 PolarHBondContact O-N 3.26Å; Y308-T312 VanDerWaalsContact O-N 3.11Å; A309-T312 PolarHBondContact O-N 3.01Å; A309-T312 PolarHBondContact O-OG1 3.49Å; L310-T312 VanDerWaalsContact C-N 3.29Å; L310-T312 PolarHBondContact O-N 2.68Å |
| 313 | I | 89.1 | Confident | 89.7 | Confident | 31 Ų | 31 | 30.8 Ų | 30.8 | 16% | 0.159 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -57.1 | 175 | -67.9 | 168.9 | 0 | 0 | 0 | 109.7 | L226 R242 I246 A309 L310 H311 | L226-I313 HydrophobicContact CD1-CD1 4.07Å; L226-I313 HydrophobicContact CD2-CD1 3.8Å; R242-I313 HydrophobicContact CB-CD1 4.28Å; R242-I313 HydrophobicContact CG-CD1 4.11Å; R242-I313 HydrophobicContact CG-CG1 4.06Å; R242-I313 HydrophobicContact CG-CG2 4.3Å; I246-I313 HydrophobicContact CD1-CG2 3.98Å; I246-I313 HydrophobicContact CG1-CG2 3.57Å; A309-I313 WeakPolarHBondContact O-CG1 3.36Å; A309-I313 PolarHBondContact O-N 2.7Å; L310-I313 WeakPolarHBondContact O-CA 3.37Å; L310-I313 WeakPolarHBondContact O-CB 3.35Å; L310-I313 PolarHBondContact O-N 2.57Å; H311-I313 PolarHBondContact O-N 2.93Å |
| 314 | Q | 87.4 | Confident | 89.9 | Confident | 55 Ų | 55 | 31.1 Ų | 31.1 | 26% | 0.257 | 19% | 0.185 | S | C | . | . | trans | -154.1 | 112.9 | -178.9 | 179.5 | 168.6 | -28 | 0 | 0 | 110 | L310 S316 I317 | L310-Q314 CarbonylContact O-C 3.55Å; L310-Q314 PolarHBondContact O-N 3.33Å; Q314-S316 VanDerWaalsContact C-N 3.31Å; Q314-S316 WeakPolarHBondContact CG-OG 3.33Å; Q314-S316 PolarHBondContact NE2-OG 3.25Å; Q314-S316 PolarHBondContact O-N 2.97Å; Q314-I317 HydrophobicContact CB-CD1 4.05Å; Q314-I317 HydrophobicContact CB-CG1 4.42Å; Q314-I317 HydrophobicContact CG-CD1 4.28Å; Q314-I317 HydrophobicContact CG-CG1 4.24Å | ||
| 315 | S | 87 | Confident | 90.1 | Very high | 55 Ų | 55 | 29.9 Ų | 29.9 | 39% | 0.385 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -72.5 | -14.4 | -173 | 60.7 | 0 | 0 | 0 | 0 | 115.3 | A319 | S315-A319 PolarHBondContact O-N 2.94Å |
| 316 | S | 87.7 | Confident | 90.4 | Very high | 46 Ų | 46 | 27.4 Ų | 27.4 | 32% | 0.322 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.5 | -51.4 | 174.9 | 65.3 | 0 | 0 | 0 | 0 | 111.3 | E253 Q314 V318 A319 P320 | E253-S316 PolarHBondContact OE2-OG 2.71Å; Q314-S316 VanDerWaalsContact C-N 3.31Å; Q314-S316 WeakPolarHBondContact CG-OG 3.33Å; Q314-S316 PolarHBondContact NE2-OG 3.25Å; Q314-S316 PolarHBondContact O-N 2.97Å; S316-V318 PolarHBondContact O-N 3.46Å; S316-A319 WeakPolarHBondContact O-CB 3.42Å; S316-A319 PolarHBondContact O-N 2.58Å; S316-P320 VanDerWaalsContact O-CD 3.26Å; S316-P320 WeakPolarHBondContact O-CD 3.43Å |
| 317 | I | 89.8 | Confident | 90.4 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -51.6 | -34.7 | -176.6 | -56.9 | 173.4 | 0 | 0 | 0 | 111.6 | I245 E253 I256 Q257 L310 Q314 | I245-I317 HydrophobicContact CG2-CD1 3.91Å; E253-I317 HydrophobicContact CB-CG1 4.27Å; E253-I317 HydrophobicContact CG-CB 4.29Å; E253-I317 HydrophobicContact CG-CG1 4.06Å; E253-I317 HydrophobicContact CG-CG2 4.35Å; E253-I317 WeakPolarHBondContact OE2-CA 3.31Å; E253-I317 VanDerWaalsContact OE2-CG1 3.25Å; E253-I317 WeakPolarHBondContact OE2-CG1 3.12Å; E253-I317 PolarHBondContact OE2-N 2.87Å; I256-I317 HydrophobicContact CB-CG2 4.24Å; I256-I317 HydrophobicContact CG2-CG2 3.67Å; Q257-I317 VanDerWaalsContact CG-O 3.24Å; Q257-I317 WeakPolarHBondContact CG-O 3.46Å; Q257-I317 PolarHBondContact NE2-O 2.74Å; L310-I317 HydrophobicContact CD1-CG2 4.46Å; Q314-I317 HydrophobicContact CB-CD1 4.05Å; Q314-I317 HydrophobicContact CB-CG1 4.42Å; Q314-I317 HydrophobicContact CG-CD1 4.28Å; Q314-I317 HydrophobicContact CG-CG1 4.24Å |
| 318 | V | 90.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -88.5 | -23 | -178.6 | 172.4 | 0 | 0 | 0 | 0 | 113.4 | I307 L310 H311 S316 I321 L322 | I307-V318 HydrophobicContact CG2-CG1 3.66Å; I307-V318 HydrophobicContact CG2-CG2 4.23Å; I307-V318 WeakPolarHBondContact O-CG2 3.38Å; L310-V318 HydrophobicContact CB-CG2 3.72Å; H311-V318 HydrophobicContact CB-CB 4.4Å; H311-V318 HydrophobicContact CB-CG1 4.4Å; H311-V318 HydrophobicContact CB-CG2 4.1Å; S316-V318 PolarHBondContact O-N 3.46Å; V318-I321 WeakPolarHBondContact O-CB 3.43Å; V318-I321 PolarHBondContact O-N 2.7Å; V318-L322 HydrophobicContact CG1-CD2 4Å; V318-L322 HydrophobicContact CG1-CG 4.43Å; V318-L322 PolarHBondContact O-N 2.8Å |
| 319 | A | 88.6 | Confident | 90.4 | Very high | 49 Ų | 49 | 32.2 Ų | 32.2 | 41% | 0.405 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -59.5 | -44.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S315 S316 I321 L322 | S315-A319 PolarHBondContact O-N 2.94Å; S316-A319 WeakPolarHBondContact O-CB 3.42Å; S316-A319 PolarHBondContact O-N 2.58Å; A319-I321 PolarHBondContact O-N 2.75Å; A319-L322 WeakPolarHBondContact O-CB 3.48Å; A319-L322 PolarHBondContact O-N 2.73Å |
| 320 | P | 89.8 | Confident | 90.5 | Very high | 65 Ų | 65 | 37.2 Ų | 37.2 | 42% | 0.422 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -65.9 | -17.4 | 174.8 | -25.4 | 38.5 | 0 | 0 | 0 | 114.9 | S316 P323 | S316-P320 VanDerWaalsContact O-CD 3.26Å; S316-P320 WeakPolarHBondContact O-CD 3.43Å; P320-P323 WeakPolarHBondContact O-CD 3.16Å |
| 321 | I | 90.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -83.6 | -22.9 | -180 | -47.9 | 174.8 | 0 | 0 | 0 | 111 | Q257 L260 L264 I307 V318 A319 T324 I325 | Q257-I321 HydrophobicContact CG-CD1 4.23Å; Q257-I321 HydrophobicContact CG-CG1 4.15Å; L260-I321 HydrophobicContact CB-CD1 3.9Å; L260-I321 HydrophobicContact CD1-CD1 3.66Å; L260-I321 HydrophobicContact CG-CD1 4.44Å; L264-I321 HydrophobicContact CD1-CG2 3.72Å; I307-I321 HydrophobicContact CD1-CG2 4.26Å; V318-I321 WeakPolarHBondContact O-CB 3.43Å; V318-I321 PolarHBondContact O-N 2.7Å; A319-I321 PolarHBondContact O-N 2.75Å; I321-T324 WeakPolarHBondContact O-CA 3.19Å; I321-T324 WeakPolarHBondContact O-CB 3.29Å; I321-T324 PolarHBondContact O-N 3.19Å; I321-I325 HydrophobicContact CG2-CD1 4.39Å; I321-I325 HydrophobicContact CG2-CG1 4.41Å; I321-I325 PolarHBondContact O-N 3.43Å; I321-I325 VanDerWaalsContact O-N 3.17Å |
| 322 | L | 92.1 | Very high | 90.4 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.3 | -40.5 | -175.6 | -62.5 | 174.5 | 0 | 0 | 0 | 114.7 | V318 A319 T324 I325 E326 L347 L355 N359 L362 | V318-L322 HydrophobicContact CG1-CD2 4Å; V318-L322 HydrophobicContact CG1-CG 4.43Å; V318-L322 PolarHBondContact O-N 2.8Å; A319-L322 WeakPolarHBondContact O-CB 3.48Å; A319-L322 PolarHBondContact O-N 2.73Å; L322-T324 VanDerWaalsContact C-N 3.31Å; L322-T324 PolarHBondContact O-N 3.23Å; L322-I325 HydrophobicContact CD2-CD1 4.21Å; L322-I325 WeakPolarHBondContact O-CB 3.38Å; L322-I325 PolarHBondContact O-N 3.05Å; L322-I325 VanDerWaalsContact O-N 3.1Å; L322-E326 PolarHBondContact O-N 3.41Å; L322-L347 HydrophobicContact CD2-CD1 4.48Å; L322-L355 HydrophobicContact CD1-CD1 3.76Å; L322-N359 VanDerWaalsContact CD1-ND2 3.33Å; L322-N359 WeakPolarHBondContact CD1-ND2 3.36Å; L322-L362 HydrophobicContact CB-CD2 4.17Å; L322-L362 HydrophobicContact CD1-CD2 4.48Å; L322-L362 HydrophobicContact CD2-CD2 4.31Å |
| 323 | P | 91.1 | Very high | 90.5 | Very high | 79 Ų | 79 | 41.1 Ų | 41.1 | 51% | 0.513 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 173.5 | -24.2 | 35.9 | 0 | 0 | 0 | 113 | P320 I325 E326 L327 | P320-P323 WeakPolarHBondContact O-CD 3.16Å; P323-I325 VanDerWaalsContact C-N 3.28Å; P323-I325 PolarHBondContact O-N 3.19Å; P323-E326 WeakPolarHBondContact O-CB 3.47Å; P323-E326 PolarHBondContact O-N 3.3Å; P323-E326 VanDerWaalsContact O-N 3.13Å; P323-L327 WeakPolarHBondContact O-CG 3.36Å; P323-L327 PolarHBondContact O-N 3.02Å |
| 324 | T | 90.7 | Very high | 90.7 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.6 | -34.2 | 174.9 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | Q261 L264 I265 I321 L322 L327 K328 | Q261-T324 HydrophobicContact CG-CG2 4.45Å; Q261-T324 PolarHBondContact NE2-OG1 3.12Å; L264-T324 HydrophobicContact CB-CG2 3.96Å; L264-T324 HydrophobicContact CD1-CG2 3.93Å; I265-T324 HydrophobicContact CD1-CG2 4.42Å; I265-T324 HydrophobicContact CG1-CG2 4.03Å; I321-T324 WeakPolarHBondContact O-CA 3.19Å; I321-T324 WeakPolarHBondContact O-CB 3.29Å; I321-T324 PolarHBondContact O-N 3.19Å; L322-T324 VanDerWaalsContact C-N 3.31Å; L322-T324 PolarHBondContact O-N 3.23Å; T324-L327 PolarHBondContact O-N 3.44Å; T324-K328 WeakPolarHBondContact O-CG 3.33Å; T324-K328 PolarHBondContact O-N 2.96Å |
| 325 | I | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.7 | -36.6 | 173.4 | -56.6 | 168.6 | 0 | 0 | 0 | 110.7 | L264 I307 I321 L322 P323 K328 L329 L343 L344 | L264-I325 HydrophobicContact CD1-CG1 4.24Å; I307-I325 HydrophobicContact CD1-CD1 4.31Å; I307-I325 HydrophobicContact CG2-CD1 4.03Å; I321-I325 HydrophobicContact CG2-CD1 4.39Å; I321-I325 HydrophobicContact CG2-CG1 4.41Å; I321-I325 PolarHBondContact O-N 3.43Å; I321-I325 VanDerWaalsContact O-N 3.17Å; L322-I325 HydrophobicContact CD2-CD1 4.21Å; L322-I325 WeakPolarHBondContact O-CB 3.38Å; L322-I325 PolarHBondContact O-N 3.05Å; L322-I325 VanDerWaalsContact O-N 3.1Å; P323-I325 VanDerWaalsContact C-N 3.28Å; P323-I325 PolarHBondContact O-N 3.19Å; I325-K328 PolarHBondContact O-N 3.13Å; I325-L329 WeakPolarHBondContact O-CB 3.24Å; I325-L329 PolarHBondContact O-N 3.41Å; I325-L343 HydrophobicContact CD1-CD2 3.85Å; I325-L344 HydrophobicContact CG2-CD1 4.13Å; I325-L344 HydrophobicContact CG2-CD2 4.11Å; I325-L344 HydrophobicContact CG2-CG 4.01Å |
| 326 | E | 93.6 | Very high | 90.9 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 12% | 0.121 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 172.4 | -152.7 | -167.5 | 110.1 | 0 | 0 | 111.7 | L322 P323 L329 K330 S361 L362 A365 | L322-E326 PolarHBondContact O-N 3.41Å; P323-E326 WeakPolarHBondContact O-CB 3.47Å; P323-E326 PolarHBondContact O-N 3.3Å; P323-E326 VanDerWaalsContact O-N 3.13Å; E326-L329 WeakPolarHBondContact O-CB 3.37Å; E326-L329 PolarHBondContact O-N 3.17Å; E326-K330 WeakPolarHBondContact O-CG 3.5Å; E326-K330 PolarHBondContact O-N 3.4Å; E326-K330 WeakPolarHBondContact OE1-CE 3.48Å; E326-K330 IonicContact OE1-NZ 3.85Å; E326-K330 PolarHBondContact OE1-NZ 3Å; E326-S361 WeakPolarHBondContact OE2-CB 3.46Å; E326-S361 PolarHBondContact OE2-OG 2.84Å; E326-L362 HydrophobicContact CB-CD1 3.77Å; E326-L362 HydrophobicContact CG-CD1 3.84Å; E326-L362 WeakPolarHBondContact OE2-CA 3.43Å; E326-L362 PolarHBondContact OE2-N 3.27Å; E326-A365 HydrophobicContact CG-CB 3.77Å |
| 327 | L | 91.8 | Very high | 91.2 | Very high | 120 Ų | 120 | 43.8 Ų | 43.8 | 63% | 0.628 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.9 | -44.1 | 173.5 | -67.2 | 174.5 | 0 | 0 | 0 | 111.8 | P323 T324 L329 K330 S331 | P323-L327 WeakPolarHBondContact O-CG 3.36Å; P323-L327 PolarHBondContact O-N 3.02Å; T324-L327 PolarHBondContact O-N 3.44Å; L327-L329 VanDerWaalsContact C-N 3.3Å; L327-L329 PolarHBondContact O-N 3.1Å; L327-K330 CarbonylContact O-C 3.56Å; L327-K330 WeakPolarHBondContact O-CA 3.46Å; L327-K330 PolarHBondContact O-N 3.01Å; L327-S331 PolarHBondContact O-N 2.9Å; L327-S331 VanDerWaalsContact O-N 3.12Å |
| 328 | K | 90.7 | Very high | 91.4 | Very high | 26 Ų | 26 | 46 Ų | 46 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67 | -29.1 | 175.7 | -70.3 | -68.6 | -174.8 | 172.2 | 0 | 113.2 | L264 T324 I325 K330 S331 E336 S340 | L264-K328 WeakPolarHBondContact O-CE 3.17Å; L264-K328 PolarHBondContact O-NZ 3.22Å; T324-K328 WeakPolarHBondContact O-CG 3.33Å; T324-K328 PolarHBondContact O-N 2.96Å; I325-K328 PolarHBondContact O-N 3.13Å; K328-K330 PolarHBondContact O-N 2.74Å; K328-S331 WeakPolarHBondContact O-CB 3.42Å; K328-S331 PolarHBondContact O-N 3.3Å; K328-E336 HydrophobicContact CD-CG 4.42Å; K328-E336 WeakPolarHBondContact CD-OE1 3.41Å; K328-E336 IonicContact NZ-OE1 3.58Å; K328-E336 PolarHBondContact NZ-OE1 2.95Å; K328-E336 IonicContact NZ-OE2 3.56Å; K328-S340 VanDerWaalsContact CB-OG 3.3Å; K328-S340 WeakPolarHBondContact CB-OG 3.49Å |
| 329 | L | 93.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67 | -26.5 | 171.4 | -164.1 | 72 | 0 | 0 | 0 | 112.4 | I325 E326 L327 R337 F341 L344 A365 F366 R369 | I325-L329 WeakPolarHBondContact O-CB 3.24Å; I325-L329 PolarHBondContact O-N 3.41Å; E326-L329 WeakPolarHBondContact O-CB 3.37Å; E326-L329 PolarHBondContact O-N 3.17Å; L327-L329 VanDerWaalsContact C-N 3.3Å; L327-L329 PolarHBondContact O-N 3.1Å; L329-R337 WeakPolarHBondContact O-CD 3.34Å; L329-R337 WeakPolarHBondContact O-CG 3.45Å; L329-F341 HydrophobicContact CD1-CB 3.84Å; L329-F341 HydrophobicContact CD1-CD2 4.47Å; L329-L344 HydrophobicContact CD1-CD1 4.12Å; L329-L344 HydrophobicContact CD2-CD1 3.73Å; L329-L344 HydrophobicContact CG-CD1 4.41Å; L329-A365 HydrophobicContact CD2-CB 4.01Å; L329-A365 WeakPolarHBondContact CD2-O 3.36Å; L329-F366 HydrophobicContact CD2-CB 4.43Å; L329-R369 HydrophobicContact CD1-CG 3.71Å; L329-R369 HydrophobicContact CD2-CG 4.1Å; L329-R369 HydrophobicContact CG-CG 3.74Å |
| 330 | K | 92.5 | Very high | 91.6 | Very high | 112 Ų | 112 | 46.5 Ų | 46.5 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 0.4 | 174.8 | -65 | 167.1 | 179.5 | 174.9 | 0 | 113.3 | E326 L327 K328 | E326-K330 WeakPolarHBondContact O-CG 3.5Å; E326-K330 PolarHBondContact O-N 3.4Å; E326-K330 WeakPolarHBondContact OE1-CE 3.48Å; E326-K330 IonicContact OE1-NZ 3.85Å; E326-K330 PolarHBondContact OE1-NZ 3Å; L327-K330 CarbonylContact O-C 3.56Å; L327-K330 WeakPolarHBondContact O-CA 3.46Å; L327-K330 PolarHBondContact O-N 3.01Å; K328-K330 PolarHBondContact O-N 2.74Å |
| 331 | S | 91.4 | Very high | 91.9 | Very high | 14 Ų | 14 | 43.4 Ų | 43.4 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | trans | -62.3 | 146.7 | -177.6 | 175.7 | 0 | 0 | 0 | 0 | 113.4 | L327 K328 I333 E336 R337 | L327-S331 PolarHBondContact O-N 2.9Å; L327-S331 VanDerWaalsContact O-N 3.12Å; K328-S331 WeakPolarHBondContact O-CB 3.42Å; K328-S331 PolarHBondContact O-N 3.3Å; S331-I333 PolarHBondContact O-N 3.38Å; S331-I333 PolarHBondContact OG-N 2.82Å; S331-E336 VanDerWaalsContact CB-OE2 3.23Å; S331-E336 WeakPolarHBondContact CB-OE2 3.36Å; S331-E336 PolarHBondContact OG-OE2 2.7Å; S331-R337 WeakPolarHBondContact O-CD 3.47Å; S331-R337 VanDerWaalsContact O-CG 3.24Å; S331-R337 WeakPolarHBondContact O-CG 3.45Å; S331-R337 PolarHBondContact O-NH1 3.45Å | ||
| 332 | P | 90.7 | Very high | 92.1 | Very high | 115 Ų | 115 | 49.1 Ų | 49.1 | 75% | 0.747 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -60.9 | -22.9 | 170.2 | 25.2 | -35 | 0 | 0 | 0 | 114.1 | V334 R337 | P332-V334 PolarHBondContact O-N 2.89Å; P332-R337 PolarHBondContact O-NH1 3.34Å |
| 333 | I | 90.6 | Very high | 92.1 | Very high | 53 Ų | 53 | 49.1 Ų | 49.1 | 27% | 0.272 | 24% | 0.238 | S | C | . | . | trans | -80 | 124.2 | -178.6 | -31.6 | 178.6 | 0 | 0 | 0 | 112.3 | K268 S331 R335 E336 R337 | K268-I333 HydrophobicContact CD-CD1 4.01Å; K268-I333 VanDerWaalsContact NZ-CD1 3.34Å; S331-I333 PolarHBondContact O-N 3.38Å; S331-I333 PolarHBondContact OG-N 2.82Å; I333-R335 VanDerWaalsContact C-N 3.34Å; I333-R335 HydrophobicContact CG2-CB 4.19Å; I333-R335 PolarHBondContact O-N 3.26Å; I333-E336 HydrophobicContact CB-CB 4.23Å; I333-E336 HydrophobicContact CB-CG 4.21Å; I333-E336 VanDerWaalsContact CD1-CD 3.41Å; I333-E336 HydrophobicContact CD1-CG 3.87Å; I333-E336 VanDerWaalsContact CD1-OE2 3.28Å; I333-E336 WeakPolarHBondContact CD1-OE2 3.48Å; I333-E336 HydrophobicContact CG1-CG 4.38Å; I333-E336 WeakPolarHBondContact CG1-OE2 3.38Å; I333-E336 PolarHBondContact O-N 3.3Å; I333-R337 WeakPolarHBondContact O-CG 3.19Å; I333-R337 PolarHBondContact O-N 3.05Å | ||
| 334 | V | 92.4 | Very high | 92.3 | Very high | 47 Ų | 47 | 45.4 Ų | 45.4 | 29% | 0.285 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -56.8 | -41.8 | 172.2 | 178.6 | 0 | 0 | 0 | 0 | 112.4 | P332 E336 R337 K338 D374 V377 | P332-V334 PolarHBondContact O-N 2.89Å; V334-E336 VanDerWaalsContact C-N 3.34Å; V334-E336 PolarHBondContact O-N 2.86Å; V334-R337 PolarHBondContact O-N 3.16Å; V334-K338 HydrophobicContact CG1-CD 3.75Å; V334-K338 HydrophobicContact CG1-CG 4.2Å; V334-K338 WeakPolarHBondContact O-CB 3.29Å; V334-K338 WeakPolarHBondContact O-CG 3.16Å; V334-K338 PolarHBondContact O-N 3.34Å; V334-D374 HydrophobicContact CG1-CB 4.49Å; V334-D374 WeakPolarHBondContact CG1-OD1 3.17Å; V334-D374 HydrophobicContact CG2-CB 3.94Å; V334-D374 WeakPolarHBondContact CG2-OD2 3.48Å; V334-V377 HydrophobicContact CG1-CG2 4.29Å |
| 335 | R | 89.7 | Confident | 92.4 | Very high | 152 Ų | 152 | 45 Ų | 45 | 57% | 0.574 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -61 | -39.3 | 178.7 | -173.4 | 169.9 | 172.9 | 144.5 | -8.4 | 112.2 | E301 I333 R339 | E301-R335 IonicContact OE1-CZ 2.73Å; E301-R335 IonicContact OE1-NH2 2.66Å; E301-R335 PolarHBondContact OE1-NH2 3.23Å; E301-R335 IonicContact OE2-NH2 2.65Å; E301-R335 PolarHBondContact OE2-NH2 3Å; I333-R335 VanDerWaalsContact C-N 3.34Å; I333-R335 HydrophobicContact CG2-CB 4.19Å; I333-R335 PolarHBondContact O-N 3.26Å; R335-R339 WeakPolarHBondContact O-CB 3.22Å; R335-R339 WeakPolarHBondContact O-CG 3.44Å; R335-R339 PolarHBondContact O-N 3.42Å; R335-R339 VanDerWaalsContact O-N 3.09Å |
| 336 | E | 89.2 | Confident | 92.4 | Very high | 26 Ų | 26 | 49.1 Ų | 49.1 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.3 | -49.2 | 174.6 | -72 | -179.4 | 145.8 | 0 | 0 | 111.5 | K328 S331 I333 V334 K338 R339 S340 | K328-E336 HydrophobicContact CD-CG 4.42Å; K328-E336 WeakPolarHBondContact CD-OE1 3.41Å; K328-E336 IonicContact NZ-OE1 3.58Å; K328-E336 PolarHBondContact NZ-OE1 2.95Å; K328-E336 IonicContact NZ-OE2 3.56Å; S331-E336 VanDerWaalsContact CB-OE2 3.23Å; S331-E336 WeakPolarHBondContact CB-OE2 3.36Å; S331-E336 PolarHBondContact OG-OE2 2.7Å; I333-E336 HydrophobicContact CB-CB 4.23Å; I333-E336 HydrophobicContact CB-CG 4.21Å; I333-E336 VanDerWaalsContact CD1-CD 3.41Å; I333-E336 HydrophobicContact CD1-CG 3.87Å; I333-E336 VanDerWaalsContact CD1-OE2 3.28Å; I333-E336 WeakPolarHBondContact CD1-OE2 3.48Å; I333-E336 HydrophobicContact CG1-CG 4.38Å; I333-E336 WeakPolarHBondContact CG1-OE2 3.38Å; I333-E336 PolarHBondContact O-N 3.3Å; V334-E336 VanDerWaalsContact C-N 3.34Å; V334-E336 PolarHBondContact O-N 2.86Å; E336-K338 VanDerWaalsContact C-N 3.31Å; E336-K338 PolarHBondContact O-N 3.31Å; E336-R339 PolarHBondContact O-N 2.98Å; E336-S340 PolarHBondContact O-N 2.61Å; E336-S340 PolarHBondContact O-OG 2.96Å |
| 337 | R | 94.1 | Very high | 92.4 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.9 | -41.9 | 178.5 | -63 | -157.7 | -58.9 | -74 | 4.9 | 112.2 | L329 S331 P332 I333 V334 F341 D372 V377 | L329-R337 WeakPolarHBondContact O-CD 3.34Å; L329-R337 WeakPolarHBondContact O-CG 3.45Å; S331-R337 WeakPolarHBondContact O-CD 3.47Å; S331-R337 VanDerWaalsContact O-CG 3.24Å; S331-R337 WeakPolarHBondContact O-CG 3.45Å; S331-R337 PolarHBondContact O-NH1 3.45Å; P332-R337 PolarHBondContact O-NH1 3.34Å; I333-R337 WeakPolarHBondContact O-CG 3.19Å; I333-R337 PolarHBondContact O-N 3.05Å; V334-R337 PolarHBondContact O-N 3.16Å; R337-F341 VanDerWaalsContact O-CB 3.22Å; R337-F341 WeakPolarHBondContact O-CB 3.26Å; R337-F341 PolarHBondContact O-N 3.3Å; R337-D372 VanDerWaalsContact CD-OD2 3.29Å; R337-D372 WeakPolarHBondContact CD-OD2 3.3Å; R337-D372 IonicContact CZ-OD1 2.64Å; R337-D372 IonicContact CZ-OD2 2.69Å; R337-D372 VanDerWaalsContact NE-CG 3.35Å; R337-D372 IonicContact NE-OD1 2.73Å; R337-D372 PolarHBondContact NE-OD1 3.03Å; R337-D372 IonicContact NE-OD2 2.81Å; R337-D372 PolarHBondContact NE-OD2 3.46Å; R337-D372 IonicContact NH2-OD1 3.2Å; R337-D372 PolarHBondContact NH2-OD1 2.94Å; R337-D372 IonicContact NH2-OD2 3.73Å; R337-V377 HydrophobicContact CB-CG2 4.13Å |
| 338 | K | 93.6 | Very high | 92.4 | Very high | 46 Ų | 46 | 42.2 Ų | 42.2 | 20% | 0.2 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.4 | -37.1 | 174.8 | -68.4 | 178.7 | 88.4 | 178.5 | 0 | 112.7 | V334 E336 R342 E376 V377 L380 | V334-K338 HydrophobicContact CG1-CD 3.75Å; V334-K338 HydrophobicContact CG1-CG 4.2Å; V334-K338 WeakPolarHBondContact O-CB 3.29Å; V334-K338 WeakPolarHBondContact O-CG 3.16Å; V334-K338 PolarHBondContact O-N 3.34Å; E336-K338 VanDerWaalsContact C-N 3.31Å; E336-K338 PolarHBondContact O-N 3.31Å; K338-R342 VanDerWaalsContact O-CB 3.3Å; K338-R342 WeakPolarHBondContact O-CB 3.43Å; K338-R342 PolarHBondContact O-N 3.32Å; K338-R342 VanDerWaalsContact O-N 3.16Å; K338-E376 HydrophobicContact CD-CB 4.33Å; K338-E376 WeakPolarHBondContact CE-O 3.49Å; K338-E376 IonicContact NZ-OE2 3.26Å; K338-E376 PolarHBondContact NZ-OE2 3.48Å; K338-V377 HydrophobicContact CD-CG2 4.48Å; K338-V377 HydrophobicContact CG-CG2 3.72Å; K338-L380 HydrophobicContact CB-CD2 3.94Å; K338-L380 HydrophobicContact CG-CD2 4.14Å; K338-L380 WeakPolarHBondContact O-CD2 3.49Å |
| 339 | R | 91.1 | Very high | 92.4 | Very high | 60 Ų | 60 | 41 Ų | 41 | 23% | 0.226 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.7 | -51.2 | 174.6 | -80.4 | -176.6 | 169.8 | 172.2 | -0.1 | 111.6 | E301 F304 R335 E336 R342 L343 | E301-R339 IonicContact OE1-CZ 3.53Å; E301-R339 IonicContact OE1-NH1 3.35Å; E301-R339 PolarHBondContact OE1-NH1 3.09Å; E301-R339 IonicContact OE1-NH2 3.06Å; E301-R339 PolarHBondContact OE1-NH2 2.73Å; E301-R339 IonicContact OE2-CZ 2.63Å; E301-R339 IonicContact OE2-NH1 2.69Å; E301-R339 IonicContact OE2-NH2 2.87Å; E301-R339 PolarHBondContact OE2-NH2 3.5Å; F304-R339 HydrophobicContact CD1-CB 4.01Å; F304-R339 HydrophobicContact CD2-CB 3.97Å; F304-R339 HydrophobicContact CD2-CG 4.35Å; F304-R339 HydrophobicContact CE1-CB 3.87Å; F304-R339 HydrophobicContact CE2-CB 3.83Å; F304-R339 HydrophobicContact CE2-CG 4.39Å; F304-R339 HydrophobicContact CG-CB 4.07Å; F304-R339 HydrophobicContact CZ-CB 3.77Å; R335-R339 WeakPolarHBondContact O-CB 3.22Å; R335-R339 WeakPolarHBondContact O-CG 3.44Å; R335-R339 PolarHBondContact O-N 3.42Å; R335-R339 VanDerWaalsContact O-N 3.09Å; E336-R339 PolarHBondContact O-N 2.98Å; R339-R342 PolarHBondContact O-N 2.96Å; R339-L343 PolarHBondContact O-N 3.39Å |
| 340 | S | 93.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60 | -46.8 | 177.3 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | K328 E336 R342 L343 L344 | K328-S340 VanDerWaalsContact CB-OG 3.3Å; K328-S340 WeakPolarHBondContact CB-OG 3.49Å; E336-S340 PolarHBondContact O-N 2.61Å; E336-S340 PolarHBondContact O-OG 2.96Å; S340-R342 PolarHBondContact O-N 3.11Å; S340-L343 PolarHBondContact O-N 3.36Å; S340-L344 WeakPolarHBondContact O-CG 3.45Å; S340-L344 PolarHBondContact O-N 3.25Å |
| 341 | F | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 178.7 | -175.9 | -87.1 | 0 | 0 | 0 | 111.7 | L329 R337 L343 L344 A345 F366 R369 F370 L380 C381 M384 | L329-F341 HydrophobicContact CD1-CB 3.84Å; L329-F341 HydrophobicContact CD1-CD2 4.47Å; R337-F341 VanDerWaalsContact O-CB 3.22Å; R337-F341 WeakPolarHBondContact O-CB 3.26Å; R337-F341 PolarHBondContact O-N 3.3Å; F341-L343 VanDerWaalsContact C-N 3.34Å; F341-L343 PolarHBondContact O-N 3.19Å; F341-L344 PolarHBondContact O-N 2.98Å; F341-A345 HydrophobicContact CE1-CB 4.24Å; F341-A345 VanDerWaalsContact O-CB 3.28Å; F341-A345 WeakPolarHBondContact O-CB 3.25Å; F341-A345 PolarHBondContact O-N 3.27Å; F341-F366 HydrophobicContact CD1-CE2 4.31Å; F341-F366 AromaticContact CD2-CD2 3.55Å; F341-F366 HydrophobicContact CD2-CD2 3.55Å; F341-F366 AromaticContact CD2-CE2 3.5Å; F341-F366 HydrophobicContact CD2-CE2 3.5Å; F341-F366 VanDerWaalsContact CD2-CE2 3.5Å; F341-F366 HydrophobicContact CD2-CG 4.43Å; F341-F366 HydrophobicContact CD2-CZ 4.34Å; F341-F366 HydrophobicContact CE1-CE2 4.02Å; F341-F366 HydrophobicContact CE1-CZ 4.24Å; F341-F366 HydrophobicContact CE2-CD1 4.39Å; F341-F366 AromaticContact CE2-CD2 3.44Å; F341-F366 HydrophobicContact CE2-CD2 3.44Å; F341-F366 VanDerWaalsContact CE2-CD2 3.44Å; F341-F366 HydrophobicContact CE2-CE1 4.17Å; F341-F366 AromaticContact CE2-CE2 3.16Å; F341-F366 HydrophobicContact CE2-CE2 3.16Å; F341-F366 HydrophobicContact CE2-CG 4.06Å; F341-F366 AromaticContact CE2-CZ 3.56Å; F341-F366 HydrophobicContact CE2-CZ 3.56Å; F341-F366 HydrophobicContact CG-CD2 4.4Å; F341-F366 HydrophobicContact CG-CE2 4.07Å; F341-F366 HydrophobicContact CZ-CD2 4.2Å; F341-F366 HydrophobicContact CZ-CE1 4.28Å; F341-F366 AromaticContact CZ-CE2 3.44Å; F341-F366 HydrophobicContact CZ-CE2 3.44Å; F341-F366 VanDerWaalsContact CZ-CE2 3.44Å; F341-F366 AromaticContact CZ-CZ 3.49Å; F341-F366 HydrophobicContact CZ-CZ 3.49Å; F341-F366 VanDerWaalsContact CZ-CZ 3.49Å; F341-R369 HydrophobicContact CD2-CB 3.61Å; F341-R369 HydrophobicContact CD2-CG 3.89Å; F341-R369 HydrophobicContact CE2-CB 3.95Å; F341-F370 HydrophobicContact CE2-CE2 4.49Å; F341-F370 HydrophobicContact CZ-CE2 4.27Å; F341-L380 HydrophobicContact CD1-CD2 4.07Å; F341-L380 HydrophobicContact CD1-CG 4.01Å; F341-L380 HydrophobicContact CE1-CG 4.48Å; F341-C381 HydrophobicContact CE1-CB 4.15Å; F341-C381 HydrophobicContact CE2-CB 4.3Å; F341-C381 WeakPolarHBondContact CE2-SG 3.45Å; F341-C381 HydrophobicContact CZ-CB 3.77Å; F341-C381 WeakPolarHBondContact CZ-SG 3.45Å; F341-M384 HydrophobicContact CE1-CB 4.31Å; F341-M384 HydrophobicContact CE1-CG 4.12Å |
| 342 | R | 94.3 | Very high | 91.4 | Very high | 121 Ų | 121 | 47.8 Ų | 47.8 | 46% | 0.457 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.7 | -37.2 | 178.2 | -172.6 | -179.8 | -67.8 | 133.9 | -5.1 | 112.4 | K338 R339 S340 R346 L380 | K338-R342 VanDerWaalsContact O-CB 3.3Å; K338-R342 WeakPolarHBondContact O-CB 3.43Å; K338-R342 PolarHBondContact O-N 3.32Å; K338-R342 VanDerWaalsContact O-N 3.16Å; R339-R342 PolarHBondContact O-N 2.96Å; S340-R342 PolarHBondContact O-N 3.11Å; R342-R346 WeakPolarHBondContact O-CG 3.44Å; R342-R346 PolarHBondContact O-N 3.2Å; R342-L380 HydrophobicContact CB-CD2 4.44Å |
| 343 | L | 92.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -55 | 173 | 171.9 | 55.3 | 0 | 0 | 0 | 110.9 | F304 I307 I325 R339 S340 F341 A345 R346 L347 | F304-L343 HydrophobicContact CB-CD2 4.32Å; F304-L343 HydrophobicContact CD1-CB 4.17Å; F304-L343 HydrophobicContact CD1-CD2 3.77Å; F304-L343 HydrophobicContact CG-CD2 4.49Å; F304-L343 WeakPolarHBondContact O-CD1 3.49Å; I307-L343 HydrophobicContact CB-CD2 4.12Å; I307-L343 HydrophobicContact CD1-CD2 4.43Å; I307-L343 HydrophobicContact CG2-CD1 4.45Å; I307-L343 HydrophobicContact CG2-CD2 3.84Å; I325-L343 HydrophobicContact CD1-CD2 3.85Å; R339-L343 PolarHBondContact O-N 3.39Å; S340-L343 PolarHBondContact O-N 3.36Å; F341-L343 VanDerWaalsContact C-N 3.34Å; F341-L343 PolarHBondContact O-N 3.19Å; L343-A345 VanDerWaalsContact C-N 3.31Å; L343-A345 PolarHBondContact O-N 3.08Å; L343-R346 WeakPolarHBondContact O-CB 3.42Å; L343-R346 PolarHBondContact O-N 3.44Å; L343-L347 HydrophobicContact CD1-CD1 3.77Å; L343-L347 HydrophobicContact CD1-CD2 4.41Å; L343-L347 HydrophobicContact CD1-CG 3.93Å; L343-L347 HydrophobicContact CG-CD1 3.86Å; L343-L347 HydrophobicContact CG-CG 4.43Å; L343-L347 WeakPolarHBondContact O-CG 3.48Å; L343-L347 PolarHBondContact O-N 2.82Å |
| 344 | L | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.7 | -40 | -179 | -69 | 172.8 | 0 | 0 | 0 | 112.4 | I325 L329 S340 F341 R346 L347 F348 L362 F366 | I325-L344 HydrophobicContact CG2-CD1 4.13Å; I325-L344 HydrophobicContact CG2-CD2 4.11Å; I325-L344 HydrophobicContact CG2-CG 4.01Å; L329-L344 HydrophobicContact CD1-CD1 4.12Å; L329-L344 HydrophobicContact CD2-CD1 3.73Å; L329-L344 HydrophobicContact CG-CD1 4.41Å; S340-L344 WeakPolarHBondContact O-CG 3.45Å; S340-L344 PolarHBondContact O-N 3.25Å; F341-L344 PolarHBondContact O-N 2.98Å; L344-R346 VanDerWaalsContact C-N 3.28Å; L344-R346 PolarHBondContact O-N 2.73Å; L344-L347 HydrophobicContact CD2-CD1 4.37Å; L344-L347 PolarHBondContact O-N 3.29Å; L344-L347 VanDerWaalsContact O-N 3.15Å; L344-F348 HydrophobicContact CB-CD2 4.22Å; L344-F348 HydrophobicContact CB-CE2 3.96Å; L344-F348 HydrophobicContact CD2-CE2 4.47Å; L344-F348 WeakPolarHBondContact O-CD2 3.4Å; L344-F348 WeakPolarHBondContact O-CG 3.34Å; L344-F348 PolarHBondContact O-N 3.09Å; L344-L362 HydrophobicContact CD1-CD1 3.8Å; L344-L362 HydrophobicContact CD1-CG 4.46Å; L344-L362 HydrophobicContact CD2-CD1 3.83Å; L344-L362 HydrophobicContact CD2-CD2 3.83Å; L344-L362 HydrophobicContact CD2-CG 3.99Å; L344-F366 HydrophobicContact CB-CD2 3.67Å; L344-F366 HydrophobicContact CB-CE2 3.96Å; L344-F366 HydrophobicContact CD1-CD2 4.34Å |
| 345 | A | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.9 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | F341 L343 S349 F366 M384 L388 | F341-A345 HydrophobicContact CE1-CB 4.24Å; F341-A345 VanDerWaalsContact O-CB 3.28Å; F341-A345 WeakPolarHBondContact O-CB 3.25Å; F341-A345 PolarHBondContact O-N 3.27Å; L343-A345 VanDerWaalsContact C-N 3.31Å; L343-A345 PolarHBondContact O-N 3.08Å; A345-S349 VanDerWaalsContact O-CB 3.27Å; A345-S349 WeakPolarHBondContact O-CB 3.34Å; A345-S349 PolarHBondContact O-N 3.22Å; A345-S349 PolarHBondContact O-OG 2.62Å; A345-F366 HydrophobicContact CB-CE2 3.88Å; A345-F366 HydrophobicContact CB-CZ 3.9Å; A345-M384 HydrophobicContact CB-CB 4.16Å; A345-M384 HydrophobicContact CB-CE 3.93Å; A345-M384 HydrophobicContact CB-CG 4.09Å; A345-L388 WeakPolarHBondContact O-CD2 3.39Å |
| 346 | R | 92 | Very high | 91.1 | Very high | 88 Ų | 88 | 35 Ų | 35 | 33% | 0.332 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67.5 | -45.8 | 174.2 | -66.9 | 178.3 | 68.9 | 155.4 | 9.5 | 111.8 | Y308 R342 L343 L344 F348 S349 E350 | Y308-R346 HydrophobicContact CD2-CB 3.89Å; Y308-R346 HydrophobicContact CE2-CB 3.7Å; Y308-R346 VanDerWaalsContact CZ-NH2 3.25Å; Y308-R346 PolarHBondContact OH-NH2 3.47Å; R342-R346 WeakPolarHBondContact O-CG 3.44Å; R342-R346 PolarHBondContact O-N 3.2Å; L343-R346 WeakPolarHBondContact O-CB 3.42Å; L343-R346 PolarHBondContact O-N 3.44Å; L344-R346 VanDerWaalsContact C-N 3.28Å; L344-R346 PolarHBondContact O-N 2.73Å; R346-F348 VanDerWaalsContact C-N 3.32Å; R346-F348 PolarHBondContact O-N 3.37Å; R346-S349 WeakPolarHBondContact O-CB 3.49Å; R346-S349 PolarHBondContact O-N 3.15Å; R346-S349 VanDerWaalsContact O-N 3.08Å; R346-E350 PolarHBondContact O-N 2.9Å; R346-E350 VanDerWaalsContact O-N 3.12Å |
| 347 | L | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -34.6 | -179.7 | -64.1 | 172.9 | 0 | 0 | 0 | 113.1 | Y308 H311 L322 L343 L344 S353 L355 | Y308-L347 HydrophobicContact CD2-CD2 4.01Å; H311-L347 HydrophobicContact CB-CD2 3.63Å; H311-L347 VanDerWaalsContact CD2-CD2 3.49Å; H311-L347 WeakPolarHBondContact CD2-CD2 3.46Å; H311-L347 VanDerWaalsContact CG-CD2 3.47Å; L322-L347 HydrophobicContact CD2-CD1 4.48Å; L343-L347 HydrophobicContact CD1-CD1 3.77Å; L343-L347 HydrophobicContact CD1-CD2 4.41Å; L343-L347 HydrophobicContact CD1-CG 3.93Å; L343-L347 HydrophobicContact CG-CD1 3.86Å; L343-L347 HydrophobicContact CG-CG 4.43Å; L343-L347 WeakPolarHBondContact O-CG 3.48Å; L343-L347 PolarHBondContact O-N 2.82Å; L344-L347 HydrophobicContact CD2-CD1 4.37Å; L344-L347 PolarHBondContact O-N 3.29Å; L344-L347 VanDerWaalsContact O-N 3.15Å; L347-S353 WeakPolarHBondContact O-CB 3.38Å; L347-S353 PolarHBondContact O-OG 2.75Å; L347-L355 HydrophobicContact CB-CD2 3.77Å |
| 348 | F | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -76.8 | -28.7 | 172.2 | -66.8 | -53.1 | 0 | 0 | 0 | 112.8 | L344 R346 L355 H356 L362 W363 F366 L388 N392 L395 | L344-F348 HydrophobicContact CB-CD2 4.22Å; L344-F348 HydrophobicContact CB-CE2 3.96Å; L344-F348 HydrophobicContact CD2-CE2 4.47Å; L344-F348 WeakPolarHBondContact O-CD2 3.4Å; L344-F348 WeakPolarHBondContact O-CG 3.34Å; L344-F348 PolarHBondContact O-N 3.09Å; R346-F348 VanDerWaalsContact C-N 3.32Å; R346-F348 PolarHBondContact O-N 3.37Å; F348-L355 HydrophobicContact CD1-CB 4Å; F348-L355 HydrophobicContact CD1-CD2 4.05Å; F348-L355 HydrophobicContact CD1-CG 4.18Å; F348-L355 HydrophobicContact CE1-CB 3.96Å; F348-L355 HydrophobicContact CE1-CD2 3.84Å; F348-L355 HydrophobicContact CE1-CG 3.74Å; F348-L355 HydrophobicContact CZ-CD2 4.44Å; F348-H356 HydrophobicContact CD1-CB 4.03Å; F348-H356 HydrophobicContact CE1-CB 3.96Å; F348-L362 HydrophobicContact CZ-CD2 4.41Å; F348-L362 HydrophobicContact CZ-CG 4.23Å; F348-W363 HydrophobicContact CB-CZ3 4.21Å; F348-W363 AromaticContact CD1-CE3 3.95Å; F348-W363 HydrophobicContact CD1-CE3 3.95Å; F348-W363 HydrophobicContact CD1-CZ3 4.17Å; F348-W363 AromaticContact CD2-CE3 3.88Å; F348-W363 HydrophobicContact CD2-CE3 3.88Å; F348-W363 AromaticContact CD2-CZ3 3.86Å; F348-W363 HydrophobicContact CD2-CZ3 3.86Å; F348-W363 AromaticContact CE1-CE3 3.87Å; F348-W363 HydrophobicContact CE1-CE3 3.87Å; F348-W363 AromaticContact CE2-CE3 3.79Å; F348-W363 HydrophobicContact CE2-CE3 3.79Å; F348-W363 HydrophobicContact CE2-CZ3 4.24Å; F348-W363 AromaticContact CG-CE3 3.98Å; F348-W363 HydrophobicContact CG-CE3 3.98Å; F348-W363 AromaticContact CG-CZ3 3.83Å; F348-W363 HydrophobicContact CG-CZ3 3.83Å; F348-W363 HydrophobicContact CZ-CB 4.43Å; F348-W363 AromaticContact CZ-CE3 3.8Å; F348-W363 HydrophobicContact CZ-CE3 3.8Å; F348-F366 AromaticContact CD2-CD1 3.94Å; F348-F366 HydrophobicContact CD2-CD1 3.94Å; F348-F366 HydrophobicContact CD2-CD2 4.11Å; F348-F366 HydrophobicContact CD2-CE1 4Å; F348-F366 HydrophobicContact CD2-CE2 4.16Å; F348-F366 HydrophobicContact CD2-CG 4Å; F348-F366 HydrophobicContact CD2-CZ 4.11Å; F348-F366 HydrophobicContact CE2-CB 3.88Å; F348-F366 AromaticContact CE2-CD1 3.92Å; F348-F366 HydrophobicContact CE2-CD1 3.92Å; F348-F366 AromaticContact CE2-CD2 3.94Å; F348-F366 HydrophobicContact CE2-CD2 3.94Å; F348-F366 HydrophobicContact CE2-CE1 4.44Å; F348-F366 HydrophobicContact CE2-CE2 4.45Å; F348-F366 AromaticContact CE2-CG 3.65Å; F348-F366 HydrophobicContact CE2-CG 3.65Å; F348-L388 HydrophobicContact CB-CD2 4.01Å; F348-N392 WeakPolarHBondContact O-CB 3.13Å; F348-N392 PolarHBondContact O-ND2 2.93Å; F348-L395 HydrophobicContact CB-CD2 4.22Å |
| 349 | S | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.2 | -15.9 | 175.1 | -90.7 | 0 | 0 | 0 | 0 | 115 | A345 R346 L388 Q391 | A345-S349 VanDerWaalsContact O-CB 3.27Å; A345-S349 WeakPolarHBondContact O-CB 3.34Å; A345-S349 PolarHBondContact O-N 3.22Å; A345-S349 PolarHBondContact O-OG 2.62Å; R346-S349 WeakPolarHBondContact O-CB 3.49Å; R346-S349 PolarHBondContact O-N 3.15Å; R346-S349 VanDerWaalsContact O-N 3.08Å; S349-L388 WeakPolarHBondContact OG-CA 3.48Å; S349-Q391 WeakPolarHBondContact O-CB 3.23Å |
| 350 | E | 88.8 | Confident | 91 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 23% | 0.234 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -59.8 | 140.3 | -179.5 | -71.9 | -54.7 | 141.1 | 0 | 0 | 112 | Y308 R346 N352 S353 | Y308-E350 HydrophobicContact CE2-CG 4.39Å; Y308-E350 WeakPolarHBondContact CE2-OE1 3.45Å; Y308-E350 PolarHBondContact OH-OE1 3.3Å; R346-E350 PolarHBondContact O-N 2.9Å; R346-E350 VanDerWaalsContact O-N 3.12Å; E350-N352 PolarHBondContact O-N 2.59Å; E350-S353 WeakPolarHBondContact O-CB 3.03Å; E350-S353 PolarHBondContact O-N 2.78Å |
| 351 | P | 83.9 | Confident | 91 | Very high | 84 Ų | 84 | 52.5 Ų | 52.5 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 132.2 | -179.4 | -24.8 | 34.6 | 0 | 0 | 0 | 112.3 | S353 | P351-S353 PolarHBondContact O-N 2.98Š|
| 352 | N | 83.5 | Confident | 91 | Very high | 135 Ų | 135 | 52.7 Ų | 52.7 | 72% | 0.722 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 20.2 | -176 | -34.2 | -74.4 | 0 | 0 | 0 | 114.2 | E350 L354 | E350-N352 PolarHBondContact O-N 2.59Å; N352-L354 PolarHBondContact O-N 2.72Å |
| 353 | S | 87.8 | Confident | 91 | Very high | 12 Ų | 12 | 47.3 Ų | 47.3 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | trans | -72 | 98.6 | 179.1 | -176.7 | 0 | 0 | 0 | 0 | 112.3 | L347 E350 P351 L355 H356 N392 | L347-S353 WeakPolarHBondContact O-CB 3.38Å; L347-S353 PolarHBondContact O-OG 2.75Å; E350-S353 WeakPolarHBondContact O-CB 3.03Å; E350-S353 PolarHBondContact O-N 2.78Å; P351-S353 PolarHBondContact O-N 2.98Å; S353-L355 PolarHBondContact O-N 3.21Å; S353-L355 WeakPolarHBondContact OG-CB 3.32Å; S353-H356 PolarHBondContact O-ND1 3.44Å; S353-N392 PolarHBondContact O-ND2 3.46Å | ||
| 354 | L | 89.2 | Confident | 91.1 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 34% | 0.34 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 13.6 | 171.9 | -59.9 | -179.6 | 0 | 0 | 0 | 113.3 | N352 H356 R357 R358 D394 | N352-L354 PolarHBondContact O-N 2.72Å; L354-H356 PolarHBondContact O-N 3.25Å; L354-R357 PolarHBondContact O-N 2.71Å; L354-R358 PolarHBondContact O-N 3.26Å; L354-R358 VanDerWaalsContact O-N 3.12Å; L354-D394 HydrophobicContact CD2-CB 4.26Å |
| 355 | L | 89.9 | Confident | 91.1 | Very high | 14 Ų | 14 | 52.1 Ų | 52.1 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.7 | -35.9 | -176.8 | -173.9 | 64.1 | 0 | 0 | 0 | 112.6 | L322 L347 F348 S353 R357 R358 N359 | L322-L355 HydrophobicContact CD1-CD1 3.76Å; L347-L355 HydrophobicContact CB-CD2 3.77Å; F348-L355 HydrophobicContact CD1-CB 4Å; F348-L355 HydrophobicContact CD1-CD2 4.05Å; F348-L355 HydrophobicContact CD1-CG 4.18Å; F348-L355 HydrophobicContact CE1-CB 3.96Å; F348-L355 HydrophobicContact CE1-CD2 3.84Å; F348-L355 HydrophobicContact CE1-CG 3.74Å; F348-L355 HydrophobicContact CZ-CD2 4.44Å; S353-L355 PolarHBondContact O-N 3.21Å; S353-L355 WeakPolarHBondContact OG-CB 3.32Å; L355-R357 VanDerWaalsContact C-N 3.33Å; L355-R357 PolarHBondContact O-N 2.71Å; L355-R358 PolarHBondContact O-N 2.76Å; L355-N359 WeakPolarHBondContact CD1-ND2 3.45Å; L355-N359 PolarHBondContact O-N 3.48Å |
| 356 | H | 90.2 | Very high | 91.2 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.7 | -29.4 | 178.4 | 69.3 | -84.3 | 0 | 0 | 0 | 113.5 | F348 S353 L354 W363 D394 L395 | F348-H356 HydrophobicContact CD1-CB 4.03Å; F348-H356 HydrophobicContact CE1-CB 3.96Å; S353-H356 PolarHBondContact O-ND1 3.44Å; L354-H356 PolarHBondContact O-N 3.25Å; H356-W363 HydrophobicContact CB-CB 4.33Å; H356-W363 HydrophobicContact CB-CD2 3.77Å; H356-W363 HydrophobicContact CB-CE3 3.81Å; H356-W363 HydrophobicContact CB-CG 4.01Å; H356-W363 HydrophobicContact CB-CZ3 4.42Å; H356-D394 PolarHBondContact CE1-O 3.48Å; H356-D394 PolarHBondContact NE2-O 3.35Å; H356-L395 HydrophobicContact CB-CD2 4.32Å |
| 357 | R | 91.3 | Very high | 91.4 | Very high | 142 Ų | 142 | 48.3 Ų | 48.3 | 54% | 0.536 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -84.5 | -30.9 | 175.4 | -50.1 | -168.6 | -171.7 | 153.5 | 7.9 | 112 | L354 L355 D394 | L354-R357 PolarHBondContact O-N 2.71Å; L355-R357 VanDerWaalsContact C-N 3.33Å; L355-R357 PolarHBondContact O-N 2.71Å; R357-D394 IonicContact CZ-OD1 3.46Å; R357-D394 IonicContact NH1-OD1 3.64Å; R357-D394 PolarHBondContact NH1-OD1 2.86Å; R357-D394 PolarHBondContact NH2-O 2.84Å; R357-D394 IonicContact NH2-OD1 3.25Å; R357-D394 PolarHBondContact NH2-OD1 3.03Å |
| 358 | R | 90.4 | Very high | 91.5 | Very high | 179 Ų | 179 | 49.5 Ų | 49.5 | 68% | 0.675 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -74.9 | -37.6 | 178.2 | -68.8 | -178.7 | 179 | 175.5 | -0.1 | 112.7 | L354 L355 | L354-R358 PolarHBondContact O-N 3.26Å; L354-R358 VanDerWaalsContact O-N 3.12Å; L355-R358 PolarHBondContact O-N 2.76Å |
| 359 | N | 91.2 | Very high | 91.6 | Very high | 56 Ų | 56 | 51.9 Ų | 51.9 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | trans | -125.8 | 75.9 | -177.8 | -64.4 | -48.7 | 0 | 0 | 0 | 111 | L322 L355 S361 L362 W363 | L322-N359 VanDerWaalsContact CD1-ND2 3.33Å; L322-N359 WeakPolarHBondContact CD1-ND2 3.36Å; L355-N359 WeakPolarHBondContact CD1-ND2 3.45Å; L355-N359 PolarHBondContact O-N 3.48Å; N359-S361 PolarHBondContact O-N 2.95Å; N359-L362 HydrophobicContact CB-CB 3.86Å; N359-L362 HydrophobicContact CB-CD2 4.17Å; N359-L362 WeakPolarHBondContact O-CB 3.44Å; N359-L362 PolarHBondContact O-N 2.85Å; N359-W363 PolarHBondContact O-N 3.37Å; N359-W363 VanDerWaalsContact O-N 3.17Å | ||
| 360 | P | 92.5 | Very high | 91.9 | Very high | 76 Ų | 76 | 51.9 Ų | 51.9 | 49% | 0.494 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | -178.4 | 22.9 | -32.6 | 0 | 0 | 0 | 113.1 | L362 W363 D364 | P360-L362 VanDerWaalsContact C-N 3.27Å; P360-L362 PolarHBondContact O-N 3.34Å; P360-W363 WeakPolarHBondContact O-CB 3.33Å; P360-W363 PolarHBondContact O-N 3.25Å; P360-W363 VanDerWaalsContact O-N 3.09Å; P360-D364 PolarHBondContact O-N 3.39Å |
| 361 | S | 93.8 | Very high | 92.2 | Very high | 66 Ų | 66 | 53.2 Ų | 53.2 | 46% | 0.462 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.1 | -39.3 | 176.6 | 66.4 | 0 | 0 | 0 | 0 | 112.9 | E326 N359 A365 | E326-S361 WeakPolarHBondContact OE2-CB 3.46Å; E326-S361 PolarHBondContact OE2-OG 2.84Å; N359-S361 PolarHBondContact O-N 2.95Å; S361-A365 VanDerWaalsContact O-CB 3.23Å; S361-A365 WeakPolarHBondContact O-CB 3.35Å; S361-A365 PolarHBondContact O-N 3.32Å |
| 362 | L | 95 | Very high | 92.8 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.6 | -36.2 | 178.8 | -176.7 | 65.7 | 0 | 0 | 0 | 111.2 | L322 E326 L344 F348 N359 P360 F366 | L322-L362 HydrophobicContact CB-CD2 4.17Å; L322-L362 HydrophobicContact CD1-CD2 4.48Å; L322-L362 HydrophobicContact CD2-CD2 4.31Å; E326-L362 HydrophobicContact CB-CD1 3.77Å; E326-L362 HydrophobicContact CG-CD1 3.84Å; E326-L362 WeakPolarHBondContact OE2-CA 3.43Å; E326-L362 PolarHBondContact OE2-N 3.27Å; L344-L362 HydrophobicContact CD1-CD1 3.8Å; L344-L362 HydrophobicContact CD1-CG 4.46Å; L344-L362 HydrophobicContact CD2-CD1 3.83Å; L344-L362 HydrophobicContact CD2-CD2 3.83Å; L344-L362 HydrophobicContact CD2-CG 3.99Å; F348-L362 HydrophobicContact CZ-CD2 4.41Å; F348-L362 HydrophobicContact CZ-CG 4.23Å; N359-L362 HydrophobicContact CB-CB 3.86Å; N359-L362 HydrophobicContact CB-CD2 4.17Å; N359-L362 WeakPolarHBondContact O-CB 3.44Å; N359-L362 PolarHBondContact O-N 2.85Å; P360-L362 VanDerWaalsContact C-N 3.27Å; P360-L362 PolarHBondContact O-N 3.34Å; L362-F366 WeakPolarHBondContact O-CB 3.34Å; L362-F366 PolarHBondContact O-N 3.06Å |
| 363 | W | 95 | Very high | 93.4 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 3% | 0.034 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.4 | -44.8 | 174.1 | 179.9 | -111.9 | 0 | 0 | 0 | 111.8 | F348 H356 N359 P360 F366 L367 L395 L400 | F348-W363 HydrophobicContact CB-CZ3 4.21Å; F348-W363 AromaticContact CD1-CE3 3.95Å; F348-W363 HydrophobicContact CD1-CE3 3.95Å; F348-W363 HydrophobicContact CD1-CZ3 4.17Å; F348-W363 AromaticContact CD2-CE3 3.88Å; F348-W363 HydrophobicContact CD2-CE3 3.88Å; F348-W363 AromaticContact CD2-CZ3 3.86Å; F348-W363 HydrophobicContact CD2-CZ3 3.86Å; F348-W363 AromaticContact CE1-CE3 3.87Å; F348-W363 HydrophobicContact CE1-CE3 3.87Å; F348-W363 AromaticContact CE2-CE3 3.79Å; F348-W363 HydrophobicContact CE2-CE3 3.79Å; F348-W363 HydrophobicContact CE2-CZ3 4.24Å; F348-W363 AromaticContact CG-CE3 3.98Å; F348-W363 HydrophobicContact CG-CE3 3.98Å; F348-W363 AromaticContact CG-CZ3 3.83Å; F348-W363 HydrophobicContact CG-CZ3 3.83Å; F348-W363 HydrophobicContact CZ-CB 4.43Å; F348-W363 AromaticContact CZ-CE3 3.8Å; F348-W363 HydrophobicContact CZ-CE3 3.8Å; H356-W363 HydrophobicContact CB-CB 4.33Å; H356-W363 HydrophobicContact CB-CD2 3.77Å; H356-W363 HydrophobicContact CB-CE3 3.81Å; H356-W363 HydrophobicContact CB-CG 4.01Å; H356-W363 HydrophobicContact CB-CZ3 4.42Å; N359-W363 PolarHBondContact O-N 3.37Å; N359-W363 VanDerWaalsContact O-N 3.17Å; P360-W363 WeakPolarHBondContact O-CB 3.33Å; P360-W363 PolarHBondContact O-N 3.25Å; P360-W363 VanDerWaalsContact O-N 3.09Å; W363-F366 AromaticContact CE3-CD1 3.91Å; W363-F366 HydrophobicContact CE3-CD1 3.91Å; W363-F366 HydrophobicContact CE3-CE1 4.46Å; W363-F366 HydrophobicContact CH2-CE1 4.47Å; W363-F366 AromaticContact CZ3-CD1 3.75Å; W363-F366 HydrophobicContact CZ3-CD1 3.75Å; W363-F366 AromaticContact CZ3-CE1 3.86Å; W363-F366 HydrophobicContact CZ3-CE1 3.86Å; W363-F366 WeakPolarHBondContact O-CB 3.46Å; W363-F366 PolarHBondContact O-N 3.35Å; W363-L367 HydrophobicContact CD2-CG 4.42Å; W363-L367 HydrophobicContact CH2-CD2 4.39Å; W363-L367 HydrophobicContact CZ2-CD1 4.27Å; W363-L367 HydrophobicContact CZ2-CD2 4.02Å; W363-L367 HydrophobicContact CZ2-CG 4.27Å; W363-L367 WeakPolarHBondContact O-CG 3.3Å; W363-L367 PolarHBondContact O-N 3.08Å; W363-L395 HydrophobicContact CH2-CD2 3.96Å; W363-L395 HydrophobicContact CZ3-CD2 4.06Å; W363-L400 HydrophobicContact CH2-CD1 4.04Å; W363-L400 HydrophobicContact CH2-CD2 3.95Å; W363-L400 HydrophobicContact CH2-CG 3.93Å; W363-L400 HydrophobicContact CZ2-CD2 4.43Å; W363-L400 HydrophobicContact CZ2-CG 4.13Å |
| 364 | D | 94.2 | Very high | 93.8 | Very high | 96 Ų | 96 | 52 Ų | 52 | 51% | 0.513 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 176.1 | -67.8 | -31 | 0 | 0 | 0 | 111.7 | P360 F366 L367 G368 | P360-D364 PolarHBondContact O-N 3.39Å; D364-F366 VanDerWaalsContact C-N 3.3Å; D364-F366 PolarHBondContact O-N 2.86Å; D364-L367 PolarHBondContact O-N 3.15Å; D364-G368 PolarHBondContact O-N 3.12Å |
| 365 | A | 94.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64 | -35 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E326 L329 S361 R369 | E326-A365 HydrophobicContact CG-CB 3.77Å; L329-A365 HydrophobicContact CD2-CB 4.01Å; L329-A365 WeakPolarHBondContact CD2-O 3.36Å; S361-A365 VanDerWaalsContact O-CB 3.23Å; S361-A365 WeakPolarHBondContact O-CB 3.35Å; S361-A365 PolarHBondContact O-N 3.32Å; A365-R369 PolarHBondContact O-N 3.03Å |
| 366 | F | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.6 | -50.5 | 174.5 | 175.8 | -97.2 | 0 | 0 | 0 | 112.4 | L329 F341 L344 A345 F348 L362 W363 D364 G368 R369 L388 | L329-F366 HydrophobicContact CD2-CB 4.43Å; F341-F366 HydrophobicContact CD1-CE2 4.31Å; F341-F366 AromaticContact CD2-CD2 3.55Å; F341-F366 HydrophobicContact CD2-CD2 3.55Å; F341-F366 AromaticContact CD2-CE2 3.5Å; F341-F366 HydrophobicContact CD2-CE2 3.5Å; F341-F366 VanDerWaalsContact CD2-CE2 3.5Å; F341-F366 HydrophobicContact CD2-CG 4.43Å; F341-F366 HydrophobicContact CD2-CZ 4.34Å; F341-F366 HydrophobicContact CE1-CE2 4.02Å; F341-F366 HydrophobicContact CE1-CZ 4.24Å; F341-F366 HydrophobicContact CE2-CD1 4.39Å; F341-F366 AromaticContact CE2-CD2 3.44Å; F341-F366 HydrophobicContact CE2-CD2 3.44Å; F341-F366 VanDerWaalsContact CE2-CD2 3.44Å; F341-F366 HydrophobicContact CE2-CE1 4.17Å; F341-F366 AromaticContact CE2-CE2 3.16Å; F341-F366 HydrophobicContact CE2-CE2 3.16Å; F341-F366 HydrophobicContact CE2-CG 4.06Å; F341-F366 AromaticContact CE2-CZ 3.56Å; F341-F366 HydrophobicContact CE2-CZ 3.56Å; F341-F366 HydrophobicContact CG-CD2 4.4Å; F341-F366 HydrophobicContact CG-CE2 4.07Å; F341-F366 HydrophobicContact CZ-CD2 4.2Å; F341-F366 HydrophobicContact CZ-CE1 4.28Å; F341-F366 AromaticContact CZ-CE2 3.44Å; F341-F366 HydrophobicContact CZ-CE2 3.44Å; F341-F366 VanDerWaalsContact CZ-CE2 3.44Å; F341-F366 AromaticContact CZ-CZ 3.49Å; F341-F366 HydrophobicContact CZ-CZ 3.49Å; F341-F366 VanDerWaalsContact CZ-CZ 3.49Å; L344-F366 HydrophobicContact CB-CD2 3.67Å; L344-F366 HydrophobicContact CB-CE2 3.96Å; L344-F366 HydrophobicContact CD1-CD2 4.34Å; A345-F366 HydrophobicContact CB-CE2 3.88Å; A345-F366 HydrophobicContact CB-CZ 3.9Å; F348-F366 AromaticContact CD2-CD1 3.94Å; F348-F366 HydrophobicContact CD2-CD1 3.94Å; F348-F366 HydrophobicContact CD2-CD2 4.11Å; F348-F366 HydrophobicContact CD2-CE1 4Å; F348-F366 HydrophobicContact CD2-CE2 4.16Å; F348-F366 HydrophobicContact CD2-CG 4Å; F348-F366 HydrophobicContact CD2-CZ 4.11Å; F348-F366 HydrophobicContact CE2-CB 3.88Å; F348-F366 AromaticContact CE2-CD1 3.92Å; F348-F366 HydrophobicContact CE2-CD1 3.92Å; F348-F366 AromaticContact CE2-CD2 3.94Å; F348-F366 HydrophobicContact CE2-CD2 3.94Å; F348-F366 HydrophobicContact CE2-CE1 4.44Å; F348-F366 HydrophobicContact CE2-CE2 4.45Å; F348-F366 AromaticContact CE2-CG 3.65Å; F348-F366 HydrophobicContact CE2-CG 3.65Å; L362-F366 WeakPolarHBondContact O-CB 3.34Å; L362-F366 PolarHBondContact O-N 3.06Å; W363-F366 AromaticContact CE3-CD1 3.91Å; W363-F366 HydrophobicContact CE3-CD1 3.91Å; W363-F366 HydrophobicContact CE3-CE1 4.46Å; W363-F366 HydrophobicContact CH2-CE1 4.47Å; W363-F366 AromaticContact CZ3-CD1 3.75Å; W363-F366 HydrophobicContact CZ3-CD1 3.75Å; W363-F366 AromaticContact CZ3-CE1 3.86Å; W363-F366 HydrophobicContact CZ3-CE1 3.86Å; W363-F366 WeakPolarHBondContact O-CB 3.46Å; W363-F366 PolarHBondContact O-N 3.35Å; D364-F366 VanDerWaalsContact C-N 3.3Å; D364-F366 PolarHBondContact O-N 2.86Å; F366-G368 PolarHBondContact O-N 3.28Å; F366-R369 WeakPolarHBondContact O-CB 3.28Å; F366-R369 PolarHBondContact O-N 2.79Å; F366-L388 HydrophobicContact CE1-CD1 4.22Å; F366-L388 HydrophobicContact CZ-CD1 3.96Å; F366-L388 HydrophobicContact CZ-CD2 4.4Å |
| 367 | L | 95.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.3 | -39.8 | 172.2 | -69.5 | 178.8 | 0 | 0 | 0 | 111.2 | W363 D364 R369 F370 Q399 L400 | W363-L367 HydrophobicContact CD2-CG 4.42Å; W363-L367 HydrophobicContact CH2-CD2 4.39Å; W363-L367 HydrophobicContact CZ2-CD1 4.27Å; W363-L367 HydrophobicContact CZ2-CD2 4.02Å; W363-L367 HydrophobicContact CZ2-CG 4.27Å; W363-L367 WeakPolarHBondContact O-CG 3.3Å; W363-L367 PolarHBondContact O-N 3.08Å; D364-L367 PolarHBondContact O-N 3.15Å; L367-R369 PolarHBondContact O-N 3.07Å; L367-F370 WeakPolarHBondContact O-CB 3.08Å; L367-F370 WeakPolarHBondContact O-CD2 3.47Å; L367-F370 PolarHBondContact O-N 3.24Å; L367-Q399 HydrophobicContact CD1-CB 3.86Å; L367-L400 HydrophobicContact CD2-CD2 3.74Å; L367-L400 HydrophobicContact CD2-CG 4.26Å |
| 368 | G | 94.8 | Very high | 95 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 25% | 0.247 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -58.2 | -18.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | D364 F366 F370 N371 | D364-G368 PolarHBondContact O-N 3.12Å; F366-G368 PolarHBondContact O-N 3.28Å; G368-F370 VanDerWaalsContact C-N 3.34Å; G368-N371 CarbonylContact O-C 3.6Å; G368-N371 WeakPolarHBondContact O-CA 3.43Å; G368-N371 PolarHBondContact O-N 2.55Å; G368-N371 VanDerWaalsContact O-N 3.09Å |
| 369 | R | 95.7 | Very high | 95.4 | Very high | 50 Ų | 50 | 40.3 Ų | 40.3 | 19% | 0.189 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -75.8 | -17.6 | 172.8 | -64.8 | -50.4 | 91.4 | -172.8 | 5.2 | 114.1 | L329 F341 A365 F366 L367 N371 D372 V377 C381 | L329-R369 HydrophobicContact CD1-CG 3.71Å; L329-R369 HydrophobicContact CD2-CG 4.1Å; L329-R369 HydrophobicContact CG-CG 3.74Å; F341-R369 HydrophobicContact CD2-CB 3.61Å; F341-R369 HydrophobicContact CD2-CG 3.89Å; F341-R369 HydrophobicContact CE2-CB 3.95Å; A365-R369 PolarHBondContact O-N 3.03Å; F366-R369 WeakPolarHBondContact O-CB 3.28Å; F366-R369 PolarHBondContact O-N 2.79Å; L367-R369 PolarHBondContact O-N 3.07Å; R369-N371 PolarHBondContact O-N 2.89Å; R369-D372 WeakPolarHBondContact CD-OD2 3.48Å; R369-D372 IonicContact CZ-OD2 3.35Å; R369-D372 IonicContact NE-OD2 3.21Å; R369-D372 IonicContact NH1-OD2 2.63Å; R369-D372 PolarHBondContact NH1-OD2 3.47Å; R369-D372 WeakPolarHBondContact O-CB 3.42Å; R369-D372 PolarHBondContact O-N 3.5Å; R369-D372 VanDerWaalsContact O-N 3.08Å; R369-V377 HydrophobicContact CB-CG1 4.16Å; R369-C381 VanDerWaalsContact C-SG 3.58Å; R369-C381 PolarHBondContact O-SG 3.19Å; R369-C381 VanDerWaalsContact O-SG 3.41Å |
| 370 | F | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -60.9 | -25.7 | 164 | -74.3 | -101.4 | 0 | 0 | 0 | 110.8 | F341 L367 G368 R378 C381 L400 N403 F404 R407 | F341-F370 HydrophobicContact CE2-CE2 4.49Å; F341-F370 HydrophobicContact CZ-CE2 4.27Å; L367-F370 WeakPolarHBondContact O-CB 3.08Å; L367-F370 WeakPolarHBondContact O-CD2 3.47Å; L367-F370 PolarHBondContact O-N 3.24Å; G368-F370 VanDerWaalsContact C-N 3.34Å; F370-R378 WeakPolarHBondContact O-CG 3.47Å; F370-C381 HydrophobicContact CD1-CB 3.79Å; F370-C381 HydrophobicContact CD2-CB 4Å; F370-C381 HydrophobicContact CE1-CB 3.79Å; F370-C381 HydrophobicContact CE2-CB 4Å; F370-C381 HydrophobicContact CG-CB 3.9Å; F370-C381 HydrophobicContact CZ-CB 3.89Å; F370-L400 HydrophobicContact CE2-CD2 4.35Å; F370-L400 HydrophobicContact CZ-CD2 4.43Å; F370-N403 HydrophobicContact CB-CB 3.99Å; F370-N403 HydrophobicContact CD1-CB 4.47Å; F370-N403 HydrophobicContact CD2-CB 4.39Å; F370-N403 HydrophobicContact CG-CB 4.05Å; F370-F404 HydrophobicContact CE1-CB 4.3Å; F370-R407 WeakPolarHBondContact O-CD 3.46Å; F370-R407 PolarHBondContact O-NH1 3.46Å |
| 371 | N | 95.3 | Very high | 95.8 | Very high | 78 Ų | 78 | 34.8 Ų | 34.8 | 42% | 0.417 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -101.7 | 26.6 | 173.3 | -76.6 | -54.5 | 0 | 0 | 0 | 113.8 | G368 R369 Q406 R407 | G368-N371 CarbonylContact O-C 3.6Å; G368-N371 WeakPolarHBondContact O-CA 3.43Å; G368-N371 PolarHBondContact O-N 2.55Å; G368-N371 VanDerWaalsContact O-N 3.09Å; R369-N371 PolarHBondContact O-N 2.89Å; N371-Q406 PolarHBondContact ND2-OE1 3.36Å; N371-R407 PolarHBondContact OD1-NH1 3.3Å; N371-R407 PolarHBondContact OD1-NH2 3.07Å |
| 372 | D | 96.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.027 | 17% | 0.166 | C | C | . | . | trans | -65.1 | 150 | 174 | -156.4 | -76.9 | 0 | 0 | 0 | 112.5 | R337 R369 D374 V377 R378 | R337-D372 VanDerWaalsContact CD-OD2 3.29Å; R337-D372 WeakPolarHBondContact CD-OD2 3.3Å; R337-D372 IonicContact CZ-OD1 2.64Å; R337-D372 IonicContact CZ-OD2 2.69Å; R337-D372 VanDerWaalsContact NE-CG 3.35Å; R337-D372 IonicContact NE-OD1 2.73Å; R337-D372 PolarHBondContact NE-OD1 3.03Å; R337-D372 IonicContact NE-OD2 2.81Å; R337-D372 PolarHBondContact NE-OD2 3.46Å; R337-D372 IonicContact NH2-OD1 3.2Å; R337-D372 PolarHBondContact NH2-OD1 2.94Å; R337-D372 IonicContact NH2-OD2 3.73Å; R369-D372 WeakPolarHBondContact CD-OD2 3.48Å; R369-D372 IonicContact CZ-OD2 3.35Å; R369-D372 IonicContact NE-OD2 3.21Å; R369-D372 IonicContact NH1-OD2 2.63Å; R369-D372 PolarHBondContact NH1-OD2 3.47Å; R369-D372 WeakPolarHBondContact O-CB 3.42Å; R369-D372 PolarHBondContact O-N 3.5Å; R369-D372 VanDerWaalsContact O-N 3.08Å; D372-D374 VanDerWaalsContact C-N 3.3Å; D372-D374 PolarHBondContact O-N 3.43Å; D372-D374 PolarHBondContact OD1-N 2.98Å; D372-V377 HydrophobicContact CB-CB 3.86Å; D372-V377 HydrophobicContact CB-CG1 3.56Å; D372-R378 HydrophobicContact CB-CG 4.33Å; D372-R378 WeakPolarHBondContact O-CD 3.44Å; D372-R378 PolarHBondContact O-NE 3.09Å | ||
| 373 | I | 94.7 | Very high | 95.9 | Very high | 159 Ų | 159 | 37.8 Ų | 37.8 | 82% | 0.815 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -64 | -39.6 | 177 | -56.9 | 169.1 | 0 | 0 | 0 | 110.2 | R378 | I373-R378 PolarHBondContact O-NH2 2.86Š|
| 374 | D | 96.7 | Very high | 95.8 | Very high | 42 Ų | 42 | 38.1 Ų | 38.1 | 23% | 0.225 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -79.4 | 130.1 | -176.7 | 176.1 | -93.6 | 0 | 0 | 0 | 111.8 | V334 D372 E376 V377 R378 | V334-D374 HydrophobicContact CG1-CB 4.49Å; V334-D374 WeakPolarHBondContact CG1-OD1 3.17Å; V334-D374 HydrophobicContact CG2-CB 3.94Å; V334-D374 WeakPolarHBondContact CG2-OD2 3.48Å; D372-D374 VanDerWaalsContact C-N 3.3Å; D372-D374 PolarHBondContact O-N 3.43Å; D372-D374 PolarHBondContact OD1-N 2.98Å; D374-E376 VanDerWaalsContact C-N 3.33Å; D374-E376 VanDerWaalsContact OD1-CA 3.29Å; D374-E376 WeakPolarHBondContact OD1-CA 3.49Å; D374-E376 WeakPolarHBondContact OD1-CB 3.49Å; D374-E376 PolarHBondContact OD1-N 3.18Å; D374-V377 HydrophobicContact CB-CB 4.44Å; D374-V377 HydrophobicContact CB-CG2 4.12Å; D374-V377 PolarHBondContact O-N 2.67Å; D374-V377 WeakPolarHBondContact OD1-CG2 3.28Å; D374-V377 PolarHBondContact OD1-N 2.96Å; D374-R378 PolarHBondContact O-N 2.9Å; D374-R378 PolarHBondContact O-NE 3.11Å |
| 375 | S | 96.6 | Very high | 95.8 | Very high | 27 Ų | 27 | 33.5 Ų | 33.5 | 19% | 0.189 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -77.5 | -18.7 | -177.5 | 72.4 | 0 | 0 | 0 | 0 | 113.5 | R378 K379 D412 | S375-R378 PolarHBondContact O-N 2.8Å; S375-K379 WeakPolarHBondContact O-CB 3.38Å; S375-K379 VanDerWaalsContact O-CE 3.3Å; S375-K379 WeakPolarHBondContact O-CE 3.38Å; S375-K379 WeakPolarHBondContact O-CG 3.43Å; S375-K379 PolarHBondContact O-N 3.27Å; S375-D412 WeakPolarHBondContact CB-OD2 3.47Å; S375-D412 PolarHBondContact OG-OD2 2.73Å |
| 376 | E | 96.4 | Very high | 95.6 | Very high | 79 Ų | 79 | 35.1 Ų | 35.1 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -74.9 | -31.1 | 173.2 | -90.9 | -61.3 | 123.3 | 0 | 0 | 112.6 | K338 D374 K379 L380 | K338-E376 HydrophobicContact CD-CB 4.33Å; K338-E376 WeakPolarHBondContact CE-O 3.49Å; K338-E376 IonicContact NZ-OE2 3.26Å; K338-E376 PolarHBondContact NZ-OE2 3.48Å; D374-E376 VanDerWaalsContact C-N 3.33Å; D374-E376 VanDerWaalsContact OD1-CA 3.29Å; D374-E376 WeakPolarHBondContact OD1-CA 3.49Å; D374-E376 WeakPolarHBondContact OD1-CB 3.49Å; D374-E376 PolarHBondContact OD1-N 3.18Å; E376-K379 WeakPolarHBondContact OE1-CE 3.35Å; E376-K379 IonicContact OE1-NZ 3.91Å; E376-K379 PolarHBondContact OE1-NZ 3Å; E376-L380 PolarHBondContact O-N 3.29Å |
| 377 | V | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.5 | -49.8 | 165 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | V334 R337 K338 R369 D372 D374 K379 L380 C381 | V334-V377 HydrophobicContact CG1-CG2 4.29Å; R337-V377 HydrophobicContact CB-CG2 4.13Å; K338-V377 HydrophobicContact CD-CG2 4.48Å; K338-V377 HydrophobicContact CG-CG2 3.72Å; R369-V377 HydrophobicContact CB-CG1 4.16Å; D372-V377 HydrophobicContact CB-CB 3.86Å; D372-V377 HydrophobicContact CB-CG1 3.56Å; D374-V377 HydrophobicContact CB-CB 4.44Å; D374-V377 HydrophobicContact CB-CG2 4.12Å; D374-V377 PolarHBondContact O-N 2.67Å; D374-V377 WeakPolarHBondContact OD1-CG2 3.28Å; D374-V377 PolarHBondContact OD1-N 2.96Å; V377-K379 VanDerWaalsContact C-N 3.35Å; V377-K379 PolarHBondContact O-N 3.26Å; V377-L380 WeakPolarHBondContact O-CA 3.46Å; V377-L380 WeakPolarHBondContact O-CB 3.48Å; V377-L380 PolarHBondContact O-N 3.44Å; V377-C381 PolarHBondContact O-N 2.93Å; V377-C381 PolarHBondContact O-SG 3.15Å |
| 378 | R | 97.4 | Very high | 95 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.3 | -40.7 | -179.7 | -70.3 | -179.7 | -88.5 | 145.1 | -5.5 | 112.9 | F370 D372 I373 D374 S375 L380 C381 I382 D410 V415 | F370-R378 WeakPolarHBondContact O-CG 3.47Å; D372-R378 HydrophobicContact CB-CG 4.33Å; D372-R378 WeakPolarHBondContact O-CD 3.44Å; D372-R378 PolarHBondContact O-NE 3.09Å; I373-R378 PolarHBondContact O-NH2 2.86Å; D374-R378 PolarHBondContact O-N 2.9Å; D374-R378 PolarHBondContact O-NE 3.11Å; S375-R378 PolarHBondContact O-N 2.8Å; R378-L380 VanDerWaalsContact C-N 3.34Å; R378-L380 PolarHBondContact O-N 2.95Å; R378-C381 PolarHBondContact O-N 2.66Å; R378-I382 WeakPolarHBondContact O-CG1 3.48Å; R378-I382 PolarHBondContact O-N 3.1Å; R378-I382 VanDerWaalsContact O-N 3.14Å; R378-D410 IonicContact CZ-OD1 2.77Å; R378-D410 IonicContact CZ-OD2 3.97Å; R378-D410 IonicContact NH1-OD1 3.78Å; R378-D410 PolarHBondContact NH1-OD1 3.46Å; R378-D410 IonicContact NH1-OD2 2.67Å; R378-D410 PolarHBondContact NH1-OD2 3.44Å; R378-V415 HydrophobicContact CB-CG1 4.25Å; R378-V415 HydrophobicContact CB-CG2 4.34Å |
| 379 | K | 97.4 | Very high | 94.6 | Very high | 31 Ų | 31 | 38.7 Ų | 38.7 | 14% | 0.135 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.8 | -41.1 | 171.9 | -81.4 | 178.6 | -92.3 | 172.7 | 0 | 112.1 | S375 E376 V377 I382 H383 E414 V415 L418 | S375-K379 WeakPolarHBondContact O-CB 3.38Å; S375-K379 VanDerWaalsContact O-CE 3.3Å; S375-K379 WeakPolarHBondContact O-CE 3.38Å; S375-K379 WeakPolarHBondContact O-CG 3.43Å; S375-K379 PolarHBondContact O-N 3.27Å; E376-K379 WeakPolarHBondContact OE1-CE 3.35Å; E376-K379 IonicContact OE1-NZ 3.91Å; E376-K379 PolarHBondContact OE1-NZ 3Å; V377-K379 VanDerWaalsContact C-N 3.35Å; V377-K379 PolarHBondContact O-N 3.26Å; K379-I382 PolarHBondContact O-N 3.4Å; K379-H383 WeakPolarHBondContact O-CB 3.31Å; K379-H383 PolarHBondContact O-N 3.28Å; K379-E414 HydrophobicContact CD-CB 4.16Å; K379-E414 IonicContact NZ-OE2 2.74Å; K379-E414 PolarHBondContact NZ-OE2 3.08Å; K379-V415 HydrophobicContact CG-CG2 4.02Å; K379-L418 HydrophobicContact CB-CD2 3.94Å; K379-L418 HydrophobicContact CG-CD2 3.92Å; K379-L418 WeakPolarHBondContact O-CD2 3.18Å |
| 380 | L | 96.1 | Very high | 94.1 | Very high | 15 Ų | 15 | 44 Ų | 44 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 174.5 | 178.4 | 64.3 | 0 | 0 | 0 | 112.2 | K338 F341 R342 E376 V377 R378 I382 H383 M384 | K338-L380 HydrophobicContact CB-CD2 3.94Å; K338-L380 HydrophobicContact CG-CD2 4.14Å; K338-L380 WeakPolarHBondContact O-CD2 3.49Å; F341-L380 HydrophobicContact CD1-CD2 4.07Å; F341-L380 HydrophobicContact CD1-CG 4.01Å; F341-L380 HydrophobicContact CE1-CG 4.48Å; R342-L380 HydrophobicContact CB-CD2 4.44Å; E376-L380 PolarHBondContact O-N 3.29Å; V377-L380 WeakPolarHBondContact O-CA 3.46Å; V377-L380 WeakPolarHBondContact O-CB 3.48Å; V377-L380 PolarHBondContact O-N 3.44Å; R378-L380 VanDerWaalsContact C-N 3.34Å; R378-L380 PolarHBondContact O-N 2.95Å; L380-I382 VanDerWaalsContact C-N 3.34Å; L380-I382 PolarHBondContact O-N 3.11Å; L380-H383 PolarHBondContact O-N 3.29Å; L380-M384 HydrophobicContact CD1-CG 4.13Å; L380-M384 HydrophobicContact CD1-SD 4.38Å; L380-M384 WeakPolarHBondContact O-CG 3.44Å; L380-M384 PolarHBondContact O-N 2.96Å; L380-M384 VanDerWaalsContact O-N 3.08Å |
| 381 | C | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.5 | -45 | 176.4 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | F341 R369 F370 V377 R378 L385 | F341-C381 HydrophobicContact CE1-CB 4.15Å; F341-C381 HydrophobicContact CE2-CB 4.3Å; F341-C381 WeakPolarHBondContact CE2-SG 3.45Å; F341-C381 HydrophobicContact CZ-CB 3.77Å; F341-C381 WeakPolarHBondContact CZ-SG 3.45Å; R369-C381 VanDerWaalsContact C-SG 3.58Å; R369-C381 PolarHBondContact O-SG 3.19Å; R369-C381 VanDerWaalsContact O-SG 3.41Å; F370-C381 HydrophobicContact CD1-CB 3.79Å; F370-C381 HydrophobicContact CD2-CB 4Å; F370-C381 HydrophobicContact CE1-CB 3.79Å; F370-C381 HydrophobicContact CE2-CB 4Å; F370-C381 HydrophobicContact CG-CB 3.9Å; F370-C381 HydrophobicContact CZ-CB 3.89Å; V377-C381 PolarHBondContact O-N 2.93Å; V377-C381 PolarHBondContact O-SG 3.15Å; R378-C381 PolarHBondContact O-N 2.66Å; C381-L385 PolarHBondContact O-N 3.46Å |
| 382 | I | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.3 | -39.3 | 176.1 | -65.1 | 158.7 | 0 | 0 | 0 | 111.8 | R378 K379 L380 L385 F404 R407 V415 L418 A419 T422 | R378-I382 WeakPolarHBondContact O-CG1 3.48Å; R378-I382 PolarHBondContact O-N 3.1Å; R378-I382 VanDerWaalsContact O-N 3.14Å; K379-I382 PolarHBondContact O-N 3.4Å; L380-I382 VanDerWaalsContact C-N 3.34Å; L380-I382 PolarHBondContact O-N 3.11Å; I382-L385 WeakPolarHBondContact O-CB 3.44Å; I382-L385 PolarHBondContact O-N 3.12Å; I382-F404 HydrophobicContact CG1-CD2 4.35Å; I382-F404 HydrophobicContact CG2-CE2 4.04Å; I382-R407 HydrophobicContact CD1-CB 3.98Å; I382-R407 HydrophobicContact CD1-CG 4.21Å; I382-R407 HydrophobicContact CG1-CB 4.41Å; I382-R407 HydrophobicContact CG1-CG 4.37Å; I382-V415 HydrophobicContact CD1-CG1 3.61Å; I382-L418 HydrophobicContact CB-CD2 4.15Å; I382-L418 HydrophobicContact CB-CG 4.38Å; I382-L418 HydrophobicContact CG2-CD2 4.07Å; I382-L418 HydrophobicContact CG2-CG 3.76Å; I382-A419 HydrophobicContact CD1-CB 3.98Å; I382-T422 HydrophobicContact CG2-CG2 4.3Å; I382-T422 WeakPolarHBondContact CG2-OG1 3.49Å |
| 383 | H | 95.1 | Very high | 92.4 | Very high | 132 Ų | 132 | 53 Ų | 53 | 61% | 0.611 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -67.3 | -36.1 | -178 | -170.2 | 89.2 | 0 | 0 | 0 | 112.8 | K379 L380 L385 P386 | K379-H383 WeakPolarHBondContact O-CB 3.31Å; K379-H383 PolarHBondContact O-N 3.28Å; L380-H383 PolarHBondContact O-N 3.29Å; H383-L385 VanDerWaalsContact C-N 3.34Å; H383-P386 WeakPolarHBondContact O-CD 3.41Å |
| 384 | M | 93.2 | Very high | 92 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -76.9 | -17.1 | 177.9 | -61.7 | -56.9 | -59.5 | 0 | 0 | 113.6 | F341 A345 L380 Q387 L388 | F341-M384 HydrophobicContact CE1-CB 4.31Å; F341-M384 HydrophobicContact CE1-CG 4.12Å; A345-M384 HydrophobicContact CB-CB 4.16Å; A345-M384 HydrophobicContact CB-CE 3.93Å; A345-M384 HydrophobicContact CB-CG 4.09Å; L380-M384 HydrophobicContact CD1-CG 4.13Å; L380-M384 HydrophobicContact CD1-SD 4.38Å; L380-M384 WeakPolarHBondContact O-CG 3.44Å; L380-M384 PolarHBondContact O-N 2.96Å; L380-M384 VanDerWaalsContact O-N 3.08Å; M384-Q387 VanDerWaalsContact CE-OE1 3.23Å; M384-Q387 WeakPolarHBondContact O-CB 3.4Å; M384-Q387 PolarHBondContact O-N 3.11Å; M384-Q387 VanDerWaalsContact O-N 3.1Å; M384-L388 HydrophobicContact CB-CD1 4.29Å; M384-L388 PolarHBondContact O-N 3.06Å; M384-L388 VanDerWaalsContact O-N 3.14Å |
| 385 | L | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.5 | -45.8 | -172.8 | -179.6 | 68 | 0 | 0 | 0 | 114.4 | C381 I382 H383 Q387 L388 L389 L400 F404 T422 L426 | C381-L385 PolarHBondContact O-N 3.46Å; I382-L385 WeakPolarHBondContact O-CB 3.44Å; I382-L385 PolarHBondContact O-N 3.12Å; H383-L385 VanDerWaalsContact C-N 3.34Å; L385-Q387 PolarHBondContact O-N 3.48Å; L385-L388 PolarHBondContact O-N 3.09Å; L385-L389 HydrophobicContact CD1-CD1 3.93Å; L385-L389 HydrophobicContact CD1-CD2 4.17Å; L385-L389 HydrophobicContact CD1-CG 3.83Å; L385-L389 HydrophobicContact CD2-CD1 4.38Å; L385-L389 HydrophobicContact CG-CD1 3.84Å; L385-L389 HydrophobicContact CG-CG 4.14Å; L385-L389 WeakPolarHBondContact O-CG 3.33Å; L385-L389 PolarHBondContact O-N 3.36Å; L385-L400 HydrophobicContact CD1-CB 3.98Å; L385-L400 HydrophobicContact CD1-CD2 4.27Å; L385-F404 HydrophobicContact CD2-CB 3.68Å; L385-F404 HydrophobicContact CD2-CD1 3.75Å; L385-F404 HydrophobicContact CD2-CD2 3.36Å; L385-F404 HydrophobicContact CD2-CE1 4.2Å; L385-F404 HydrophobicContact CD2-CE2 3.84Å; L385-F404 HydrophobicContact CD2-CG 3.29Å; L385-F404 HydrophobicContact CD2-CZ 4.22Å; L385-T422 HydrophobicContact CD2-CG2 4.47Å; L385-L426 HydrophobicContact CD2-CD1 4.36Å |
| 386 | P | 90.6 | Very high | 91.1 | Very high | 44 Ų | 44 | 48.1 Ų | 48.1 | 29% | 0.286 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.5 | -24.8 | 179 | -22.9 | 36 | 0 | 0 | 0 | 113.8 | H383 K390 T422 L426 | H383-P386 WeakPolarHBondContact O-CD 3.41Å; P386-K390 VanDerWaalsContact O-CB 3.27Å; P386-K390 WeakPolarHBondContact O-CB 3.18Å; P386-K390 PolarHBondContact O-N 3.45Å; P386-T422 HydrophobicContact CG-CG2 3.86Å; P386-L426 HydrophobicContact CB-CD2 4.35Å |
| 387 | Q | 88.6 | Confident | 90.6 | Very high | 73 Ų | 73 | 47.4 Ų | 47.4 | 34% | 0.341 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -74.5 | -46.1 | 174.2 | -174.5 | -178.6 | -13.9 | 0 | 0 | 110.7 | M384 L385 K390 Q391 | M384-Q387 VanDerWaalsContact CE-OE1 3.23Å; M384-Q387 WeakPolarHBondContact O-CB 3.4Å; M384-Q387 PolarHBondContact O-N 3.11Å; M384-Q387 VanDerWaalsContact O-N 3.1Å; L385-Q387 PolarHBondContact O-N 3.48Å; Q387-K390 PolarHBondContact O-N 2.89Å; Q387-Q391 HydrophobicContact CG-CG 4.16Å; Q387-Q391 WeakPolarHBondContact O-CB 3.43Å; Q387-Q391 WeakPolarHBondContact O-CG 3.45Å; Q387-Q391 PolarHBondContact O-N 3.08Å |
| 388 | L | 89.8 | Confident | 90.1 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.2 | -51 | 176.1 | -72.5 | 158.6 | 0 | 0 | 0 | 111.5 | A345 F348 S349 F366 M384 L385 K390 L395 L400 | A345-L388 WeakPolarHBondContact O-CD2 3.39Å; F348-L388 HydrophobicContact CB-CD2 4.01Å; S349-L388 WeakPolarHBondContact OG-CA 3.48Å; F366-L388 HydrophobicContact CE1-CD1 4.22Å; F366-L388 HydrophobicContact CZ-CD1 3.96Å; F366-L388 HydrophobicContact CZ-CD2 4.4Å; M384-L388 HydrophobicContact CB-CD1 4.29Å; M384-L388 PolarHBondContact O-N 3.06Å; M384-L388 VanDerWaalsContact O-N 3.14Å; L385-L388 PolarHBondContact O-N 3.09Å; L388-K390 PolarHBondContact O-N 2.83Å; L388-L395 HydrophobicContact CB-CD1 4.31Å; L388-L395 HydrophobicContact CD2-CD1 4.09Å; L388-L400 HydrophobicContact CB-CD1 4.3Å; L388-L400 HydrophobicContact CD1-CD2 4.39Å |
| 389 | L | 86.6 | Confident | 89.7 | Confident | 35 Ų | 35 | 57 Ų | 57 | 18% | 0.183 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.8 | -19.8 | -178.8 | -63.3 | 178.3 | 0 | 0 | 0 | 114.2 | L385 H397 L400 L401 L426 | L385-L389 HydrophobicContact CD1-CD1 3.93Å; L385-L389 HydrophobicContact CD1-CD2 4.17Å; L385-L389 HydrophobicContact CD1-CG 3.83Å; L385-L389 HydrophobicContact CD2-CD1 4.38Å; L385-L389 HydrophobicContact CG-CD1 3.84Å; L385-L389 HydrophobicContact CG-CG 4.14Å; L385-L389 WeakPolarHBondContact O-CG 3.33Å; L385-L389 PolarHBondContact O-N 3.36Å; L389-H397 HydrophobicContact CD2-CB 4.09Å; L389-H397 WeakPolarHBondContact CD2-ND1 3.38Å; L389-L400 HydrophobicContact CD2-CB 4.33Å; L389-L400 HydrophobicContact CD2-CD1 3.99Å; L389-L401 HydrophobicContact CD1-CD1 3.74Å; L389-L401 HydrophobicContact CD2-CD1 3.73Å; L389-L401 HydrophobicContact CG-CD1 4.39Å; L389-L426 HydrophobicContact CD1-CD1 3.87Å; L389-L426 HydrophobicContact CD1-CD2 4.05Å |
| 390 | K | 85.6 | Confident | 89.4 | Confident | 161 Ų | 161 | 55.5 Ų | 55.5 | 70% | 0.7 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -103.7 | -31.6 | -174.6 | -173.5 | 168.6 | -178 | 172.5 | 0 | 114.5 | P386 Q387 L388 | P386-K390 VanDerWaalsContact O-CB 3.27Å; P386-K390 WeakPolarHBondContact O-CB 3.18Å; P386-K390 PolarHBondContact O-N 3.45Å; Q387-K390 PolarHBondContact O-N 2.89Å; L388-K390 PolarHBondContact O-N 2.83Å |
| 391 | Q | 86.2 | Confident | 89.1 | Confident | 97 Ų | 97 | 58 Ų | 58 | 45% | 0.453 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -91.2 | -28.4 | -171.4 | -66.8 | -171 | -41.2 | 0 | 0 | 114.2 | S349 Q387 | S349-Q391 WeakPolarHBondContact O-CB 3.23Å; Q387-Q391 HydrophobicContact CG-CG 4.16Å; Q387-Q391 WeakPolarHBondContact O-CB 3.43Å; Q387-Q391 WeakPolarHBondContact O-CG 3.45Å; Q387-Q391 PolarHBondContact O-N 3.08Å |
| 392 | N | 85.5 | Confident | 88.8 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.011 | 30% | 0.299 | C | S | . | . | trans | -131.2 | 108 | 180 | -174.9 | 3.9 | 0 | 0 | 0 | 111 | F348 S353 D394 L395 H397 | F348-N392 WeakPolarHBondContact O-CB 3.13Å; F348-N392 PolarHBondContact O-ND2 2.93Å; S353-N392 PolarHBondContact O-ND2 3.46Å; N392-D394 VanDerWaalsContact C-N 3.33Å; N392-D394 WeakPolarHBondContact OD1-CB 3.2Å; N392-D394 PolarHBondContact OD1-N 3.43Å; N392-D394 VanDerWaalsContact OD1-N 3.13Å; N392-L395 HydrophobicContact CB-CD1 3.96Å; N392-L395 HydrophobicContact CB-CG 3.96Å; N392-H397 PolarHBondContact O-CE1 3.49Å | ||
| 393 | Q | 82.1 | Confident | 88.6 | Confident | 173 Ų | 173 | 62.3 Ų | 62.3 | 81% | 0.808 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -14.2 | -179 | -65.4 | -177.7 | -8.3 | 0 | 0 | 113.4 | L395 | Q393-L395 VanDerWaalsContact C-N 3.25Å; Q393-L395 PolarHBondContact O-N 3.27Å |
| 394 | D | 84.8 | Confident | 88.5 | Confident | 64 Ų | 64 | 56.3 Ų | 56.3 | 34% | 0.342 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -10.7 | 176.4 | -90.8 | -64.6 | 0 | 0 | 0 | 113.1 | L354 H356 R357 N392 | L354-D394 HydrophobicContact CD2-CB 4.26Å; H356-D394 PolarHBondContact CE1-O 3.48Å; H356-D394 PolarHBondContact NE2-O 3.35Å; R357-D394 IonicContact CZ-OD1 3.46Å; R357-D394 IonicContact NH1-OD1 3.64Å; R357-D394 PolarHBondContact NH1-OD1 2.86Å; R357-D394 PolarHBondContact NH2-O 2.84Å; R357-D394 IonicContact NH2-OD1 3.25Å; R357-D394 PolarHBondContact NH2-OD1 3.03Å; N392-D394 VanDerWaalsContact C-N 3.33Å; N392-D394 WeakPolarHBondContact OD1-CB 3.2Å; N392-D394 PolarHBondContact OD1-N 3.43Å; N392-D394 VanDerWaalsContact OD1-N 3.13Å |
| 395 | L | 87 | Confident | 88.5 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -68.9 | 146.9 | -180 | -68.1 | 176.3 | 0 | 0 | 0 | 112.1 | F348 H356 W363 L388 N392 Q393 H397 L400 | F348-L395 HydrophobicContact CB-CD2 4.22Å; H356-L395 HydrophobicContact CB-CD2 4.32Å; W363-L395 HydrophobicContact CH2-CD2 3.96Å; W363-L395 HydrophobicContact CZ3-CD2 4.06Å; L388-L395 HydrophobicContact CB-CD1 4.31Å; L388-L395 HydrophobicContact CD2-CD1 4.09Å; N392-L395 HydrophobicContact CB-CD1 3.96Å; N392-L395 HydrophobicContact CB-CG 3.96Å; Q393-L395 VanDerWaalsContact C-N 3.25Å; Q393-L395 PolarHBondContact O-N 3.27Å; L395-H397 VanDerWaalsContact C-N 3.26Å; L395-H397 PolarHBondContact O-N 3.26Å; L395-L400 HydrophobicContact CB-CD1 4.49Å; L395-L400 HydrophobicContact CD1-CD1 4.4Å |
| 396 | V | 87.5 | Confident | 88.4 | Confident | 55 Ų | 55 | 62.1 Ų | 62.1 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | trans | -74 | 79.3 | 175.5 | -166.7 | 0 | 0 | 0 | 0 | 110.2 | E398 Q399 L400 | V396-E398 PolarHBondContact O-N 3.43Å; V396-Q399 HydrophobicContact CB-CB 4.37Å; V396-Q399 HydrophobicContact CB-CG 4.29Å; V396-Q399 HydrophobicContact CG1-CB 4.09Å; V396-Q399 HydrophobicContact CG1-CG 3.65Å; V396-Q399 PolarHBondContact O-N 3.17Å; V396-Q399 VanDerWaalsContact O-N 3.16Å; V396-L400 PolarHBondContact O-N 3.28Å | ||
| 397 | H | 86.2 | Confident | 88.6 | Confident | 64 Ų | 64 | 61.2 Ų | 61.2 | 30% | 0.296 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.2 | -33.5 | -175.9 | -64.2 | -37.3 | 0 | 0 | 0 | 113 | L389 N392 L395 L400 L401 | L389-H397 HydrophobicContact CD2-CB 4.09Å; L389-H397 WeakPolarHBondContact CD2-ND1 3.38Å; N392-H397 PolarHBondContact O-CE1 3.49Å; L395-H397 VanDerWaalsContact C-N 3.26Å; L395-H397 PolarHBondContact O-N 3.26Å; H397-L400 WeakPolarHBondContact O-CB 3.4Å; H397-L400 PolarHBondContact O-N 2.86Å; H397-L401 WeakPolarHBondContact O-CB 3.42Å; H397-L401 WeakPolarHBondContact O-CD1 3.25Å; H397-L401 PolarHBondContact O-N 2.73Å |
| 398 | E | 86 | Confident | 88.9 | Confident | 152 Ų | 152 | 57.8 Ų | 57.8 | 71% | 0.71 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.9 | -44.4 | 177.1 | -173.2 | 179.7 | 177.3 | 0 | 0 | 112.8 | V396 L401 T402 | V396-E398 PolarHBondContact O-N 3.43Å; E398-L401 PolarHBondContact O-N 3.09Å; E398-T402 WeakPolarHBondContact O-CB 3.46Å; E398-T402 PolarHBondContact O-N 2.7Å; E398-T402 PolarHBondContact O-OG1 3.24Å |
| 399 | Q | 89.8 | Confident | 89.1 | Confident | 75 Ų | 75 | 63.2 Ų | 63.2 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 176.3 | -72.4 | 177.5 | -20.1 | 0 | 0 | 111.6 | L367 V396 N403 | L367-Q399 HydrophobicContact CD1-CB 3.86Å; V396-Q399 HydrophobicContact CB-CB 4.37Å; V396-Q399 HydrophobicContact CB-CG 4.29Å; V396-Q399 HydrophobicContact CG1-CB 4.09Å; V396-Q399 HydrophobicContact CG1-CG 3.65Å; V396-Q399 PolarHBondContact O-N 3.17Å; V396-Q399 VanDerWaalsContact O-N 3.16Å; Q399-N403 PolarHBondContact O-N 2.97Å; Q399-N403 VanDerWaalsContact O-N 3.15Å; Q399-N403 PolarHBondContact O-ND2 3.41Å |
| 400 | L | 91.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -48.5 | 174.7 | -77.8 | 169.4 | 0 | 0 | 0 | 111.4 | W363 L367 F370 L385 L388 L389 L395 V396 H397 F404 | W363-L400 HydrophobicContact CH2-CD1 4.04Å; W363-L400 HydrophobicContact CH2-CD2 3.95Å; W363-L400 HydrophobicContact CH2-CG 3.93Å; W363-L400 HydrophobicContact CZ2-CD2 4.43Å; W363-L400 HydrophobicContact CZ2-CG 4.13Å; L367-L400 HydrophobicContact CD2-CD2 3.74Å; L367-L400 HydrophobicContact CD2-CG 4.26Å; F370-L400 HydrophobicContact CE2-CD2 4.35Å; F370-L400 HydrophobicContact CZ-CD2 4.43Å; L385-L400 HydrophobicContact CD1-CB 3.98Å; L385-L400 HydrophobicContact CD1-CD2 4.27Å; L388-L400 HydrophobicContact CB-CD1 4.3Å; L388-L400 HydrophobicContact CD1-CD2 4.39Å; L389-L400 HydrophobicContact CD2-CB 4.33Å; L389-L400 HydrophobicContact CD2-CD1 3.99Å; L395-L400 HydrophobicContact CB-CD1 4.49Å; L395-L400 HydrophobicContact CD1-CD1 4.4Å; V396-L400 PolarHBondContact O-N 3.28Å; H397-L400 WeakPolarHBondContact O-CB 3.4Å; H397-L400 PolarHBondContact O-N 2.86Å; L400-F404 WeakPolarHBondContact O-CB 3.44Å; L400-F404 PolarHBondContact O-N 3.06Å |
| 401 | L | 88.7 | Confident | 90 | Very high | 67 Ų | 67 | 59.5 Ų | 59.5 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 178.4 | -97.7 | 66.3 | 0 | 0 | 0 | 111.8 | L389 H397 E398 F404 Q405 | L389-L401 HydrophobicContact CD1-CD1 3.74Å; L389-L401 HydrophobicContact CD2-CD1 3.73Å; L389-L401 HydrophobicContact CG-CD1 4.39Å; H397-L401 WeakPolarHBondContact O-CB 3.42Å; H397-L401 WeakPolarHBondContact O-CD1 3.25Å; H397-L401 PolarHBondContact O-N 2.73Å; E398-L401 PolarHBondContact O-N 3.09Å; L401-F404 PolarHBondContact O-N 3.05Å; L401-Q405 WeakPolarHBondContact O-CB 3.46Å; L401-Q405 VanDerWaalsContact O-CG 3.27Å; L401-Q405 WeakPolarHBondContact O-CG 3.26Å; L401-Q405 PolarHBondContact O-N 3.2Å |
| 402 | T | 90.8 | Very high | 90.5 | Very high | 64 Ų | 64 | 56.8 Ų | 56.8 | 39% | 0.393 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.4 | -50.8 | 178.8 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | E398 F404 Q405 Q406 | E398-T402 WeakPolarHBondContact O-CB 3.46Å; E398-T402 PolarHBondContact O-N 2.7Å; E398-T402 PolarHBondContact O-OG1 3.24Å; T402-F404 VanDerWaalsContact C-N 3.29Å; T402-F404 PolarHBondContact O-N 2.84Å; T402-Q405 PolarHBondContact O-N 2.72Å; T402-Q406 PolarHBondContact O-N 2.96Å |
| 403 | N | 91.7 | Very high | 91 | Very high | 28 Ų | 28 | 60.8 Ų | 60.8 | 15% | 0.15 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.2 | -34.8 | 177.3 | -78.2 | -80.7 | 0 | 0 | 0 | 112.2 | F370 Q399 | F370-N403 HydrophobicContact CB-CB 3.99Å; F370-N403 HydrophobicContact CD1-CB 4.47Å; F370-N403 HydrophobicContact CD2-CB 4.39Å; F370-N403 HydrophobicContact CG-CB 4.05Å; Q399-N403 PolarHBondContact O-N 2.97Å; Q399-N403 VanDerWaalsContact O-N 3.15Å; Q399-N403 PolarHBondContact O-ND2 3.41Å |
| 404 | F | 94.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 58 Ų | 58 | 2% | 0.022 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.5 | -44.3 | 174.5 | 165.2 | -107.3 | 0 | 0 | 0 | 113.5 | F370 I382 L385 L400 L401 T402 Q406 R407 A419 T422 M423 | F370-F404 HydrophobicContact CE1-CB 4.3Å; I382-F404 HydrophobicContact CG1-CD2 4.35Å; I382-F404 HydrophobicContact CG2-CE2 4.04Å; L385-F404 HydrophobicContact CD2-CB 3.68Å; L385-F404 HydrophobicContact CD2-CD1 3.75Å; L385-F404 HydrophobicContact CD2-CD2 3.36Å; L385-F404 HydrophobicContact CD2-CE1 4.2Å; L385-F404 HydrophobicContact CD2-CE2 3.84Å; L385-F404 HydrophobicContact CD2-CG 3.29Å; L385-F404 HydrophobicContact CD2-CZ 4.22Å; L400-F404 WeakPolarHBondContact O-CB 3.44Å; L400-F404 PolarHBondContact O-N 3.06Å; L401-F404 PolarHBondContact O-N 3.05Å; T402-F404 VanDerWaalsContact C-N 3.29Å; T402-F404 PolarHBondContact O-N 2.84Å; F404-Q406 PolarHBondContact O-N 3.17Å; F404-R407 WeakPolarHBondContact O-CA 3.47Å; F404-R407 VanDerWaalsContact O-CB 3.3Å; F404-R407 WeakPolarHBondContact O-CB 3.22Å; F404-R407 PolarHBondContact O-N 2.76Å; F404-A419 HydrophobicContact CE2-CB 4.03Å; F404-A419 VanDerWaalsContact CZ-O 3.27Å; F404-A419 WeakPolarHBondContact CZ-O 3.17Å; F404-T422 HydrophobicContact CE2-CG2 3.97Å; F404-T422 HydrophobicContact CZ-CG2 4.04Å; F404-M423 HydrophobicContact CE1-CB 3.93Å; F404-M423 HydrophobicContact CE1-CG 4.38Å; F404-M423 HydrophobicContact CZ-CB 3.82Å |
| 405 | Q | 92 | Very high | 92.3 | Very high | 52 Ų | 52 | 55 Ų | 55 | 24% | 0.243 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.4 | -35.7 | 179.6 | -78.8 | 171.9 | -16.6 | 0 | 0 | 111.5 | L401 T402 R407 I408 L441 | L401-Q405 WeakPolarHBondContact O-CB 3.46Å; L401-Q405 VanDerWaalsContact O-CG 3.27Å; L401-Q405 WeakPolarHBondContact O-CG 3.26Å; L401-Q405 PolarHBondContact O-N 3.2Å; T402-Q405 PolarHBondContact O-N 2.72Å; Q405-R407 PolarHBondContact O-N 2.88Å; Q405-R407 VanDerWaalsContact O-N 3.11Å; Q405-I408 VanDerWaalsContact O-CB 3.28Å; Q405-I408 WeakPolarHBondContact O-CB 3.45Å; Q405-I408 PolarHBondContact O-N 2.99Å; Q405-L441 HydrophobicContact CB-CD1 4.41Å; Q405-L441 HydrophobicContact CG-CD1 3.84Å |
| 406 | Q | 91.9 | Very high | 92.7 | Very high | 86 Ų | 86 | 56.1 Ų | 56.1 | 40% | 0.402 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -58.5 | -22.6 | 172 | -66.4 | 177.5 | 8.4 | 0 | 0 | 113.2 | N371 T402 F404 I408 Y409 | N371-Q406 PolarHBondContact ND2-OE1 3.36Å; T402-Q406 PolarHBondContact O-N 2.96Å; F404-Q406 PolarHBondContact O-N 3.17Å; Q406-I408 VanDerWaalsContact C-N 3.32Å; Q406-Y409 PolarHBondContact O-N 3.46Å |
| 407 | R | 94.9 | Very high | 93.2 | Very high | 26 Ų | 26 | 55 Ų | 55 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -79.7 | -9.9 | 175.4 | -59 | -55.5 | 79.8 | 148.3 | 0.8 | 114.4 | F370 N371 I382 F404 Q405 Y409 D410 V415 A419 | F370-R407 WeakPolarHBondContact O-CD 3.46Å; F370-R407 PolarHBondContact O-NH1 3.46Å; N371-R407 PolarHBondContact OD1-NH1 3.3Å; N371-R407 PolarHBondContact OD1-NH2 3.07Å; I382-R407 HydrophobicContact CD1-CB 3.98Å; I382-R407 HydrophobicContact CD1-CG 4.21Å; I382-R407 HydrophobicContact CG1-CB 4.41Å; I382-R407 HydrophobicContact CG1-CG 4.37Å; F404-R407 WeakPolarHBondContact O-CA 3.47Å; F404-R407 VanDerWaalsContact O-CB 3.3Å; F404-R407 WeakPolarHBondContact O-CB 3.22Å; F404-R407 PolarHBondContact O-N 2.76Å; Q405-R407 PolarHBondContact O-N 2.88Å; Q405-R407 VanDerWaalsContact O-N 3.11Å; R407-Y409 PolarHBondContact O-N 3.27Å; R407-D410 WeakPolarHBondContact CD-OD2 3.42Å; R407-D410 IonicContact CZ-OD2 2.77Å; R407-D410 IonicContact NE-OD2 3.3Å; R407-D410 IonicContact NH1-OD2 2.85Å; R407-D410 WeakPolarHBondContact O-CB 3.46Å; R407-D410 PolarHBondContact O-N 3.14Å; R407-V415 HydrophobicContact CB-CG1 4.22Å; R407-A419 HydrophobicContact CB-CB 4.02Å |
| 408 | I | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -72.1 | -15.7 | 170.2 | -58.7 | 169 | 0 | 0 | 0 | 110.7 | Q405 Q406 R416 A419 M423 L441 R445 | Q405-I408 VanDerWaalsContact O-CB 3.28Å; Q405-I408 WeakPolarHBondContact O-CB 3.45Å; Q405-I408 PolarHBondContact O-N 2.99Å; Q406-I408 VanDerWaalsContact C-N 3.32Å; I408-R416 WeakPolarHBondContact O-CG 3.35Å; I408-A419 HydrophobicContact CG1-CB 4.13Å; I408-M423 HydrophobicContact CD1-CE 3.93Å; I408-M423 HydrophobicContact CD1-SD 3.51Å; I408-M423 VanDerWaalsContact CD1-SD 3.51Å; I408-L441 HydrophobicContact CB-CD2 4.43Å; I408-L441 HydrophobicContact CD1-CB 4.47Å; I408-L441 HydrophobicContact CD1-CD1 3.92Å; I408-L441 HydrophobicContact CD1-CD2 4.16Å; I408-L441 HydrophobicContact CD1-CG 4.43Å; I408-L441 HydrophobicContact CG2-CD2 4.17Å; I408-R445 HydrophobicContact CG2-CG 3.41Å; I408-R445 VanDerWaalsContact CG2-CG 3.41Å; I408-R445 WeakPolarHBondContact O-CD 3.35Å; I408-R445 PolarHBondContact O-NH1 2.95Å |
| 409 | Y | 94.7 | Very high | 94.2 | Very high | 114 Ų | 114 | 47 Ų | 47 | 45% | 0.447 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -109.7 | 8.8 | 176.2 | -59.8 | -101.6 | 0 | 0 | 0 | 113.8 | Q406 R407 L441 E444 | Q406-Y409 PolarHBondContact O-N 3.46Å; R407-Y409 PolarHBondContact O-N 3.27Å; Y409-L441 HydrophobicContact CE2-CD2 3.46Å; Y409-L441 VanDerWaalsContact CE2-CD2 3.46Å; Y409-L441 WeakPolarHBondContact OH-CD2 3.44Å; Y409-E444 WeakPolarHBondContact CE1-OE2 3.37Å; Y409-E444 VanDerWaalsContact CZ-OE2 3.29Å; Y409-E444 PolarHBondContact OH-OE2 3.48Å |
| 410 | D | 96.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | trans | -57.6 | 143.2 | -174.3 | -165.5 | -71.7 | 0 | 0 | 0 | 112.8 | R378 R407 D412 V415 R416 | R378-D410 IonicContact CZ-OD1 2.77Å; R378-D410 IonicContact CZ-OD2 3.97Å; R378-D410 IonicContact NH1-OD1 3.78Å; R378-D410 PolarHBondContact NH1-OD1 3.46Å; R378-D410 IonicContact NH1-OD2 2.67Å; R378-D410 PolarHBondContact NH1-OD2 3.44Å; R407-D410 WeakPolarHBondContact CD-OD2 3.42Å; R407-D410 IonicContact CZ-OD2 2.77Å; R407-D410 IonicContact NE-OD2 3.3Å; R407-D410 IonicContact NH1-OD2 2.85Å; R407-D410 WeakPolarHBondContact O-CB 3.46Å; R407-D410 PolarHBondContact O-N 3.14Å; D410-D412 PolarHBondContact O-N 3.27Å; D410-D412 VanDerWaalsContact OD1-CB 3.31Å; D410-D412 WeakPolarHBondContact OD1-CB 3.27Å; D410-D412 PolarHBondContact OD1-N 3.44Å; D410-V415 HydrophobicContact CB-CB 4.06Å; D410-V415 HydrophobicContact CB-CG1 3.74Å; D410-V415 VanDerWaalsContact CG-CG1 3.44Å; D410-V415 WeakPolarHBondContact OD2-CG1 3.41Å; D410-R416 HydrophobicContact CB-CG 3.96Å; D410-R416 WeakPolarHBondContact O-CD 3.45Å; D410-R416 VanDerWaalsContact O-CG 3.24Å; D410-R416 WeakPolarHBondContact O-CG 3.46Å; D410-R416 PolarHBondContact O-NE 3.03Å | ||
| 411 | P | 94.7 | Very high | 94.7 | Very high | 116 Ų | 116 | 48.1 Ų | 48.1 | 75% | 0.753 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -57.1 | -33.5 | 175.2 | 21.8 | -34.4 | 0 | 0 | 0 | 113.9 | ||
| 412 | D | 95.8 | Very high | 95 | Very high | 40 Ų | 40 | 45.8 Ų | 45.8 | 21% | 0.214 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -76.6 | 136.7 | -178.4 | -175.8 | -51.9 | 0 | 0 | 0 | 111.1 | S375 D410 E414 V415 R416 | S375-D412 WeakPolarHBondContact CB-OD2 3.47Å; S375-D412 PolarHBondContact OG-OD2 2.73Å; D410-D412 PolarHBondContact O-N 3.27Å; D410-D412 VanDerWaalsContact OD1-CB 3.31Å; D410-D412 WeakPolarHBondContact OD1-CB 3.27Å; D410-D412 PolarHBondContact OD1-N 3.44Å; D412-E414 WeakPolarHBondContact OD1-CA 3.5Å; D412-E414 WeakPolarHBondContact OD1-CB 3.19Å; D412-E414 PolarHBondContact OD1-N 3.02Å; D412-V415 HydrophobicContact CB-CB 3.96Å; D412-V415 HydrophobicContact CB-CG2 3.64Å; D412-V415 PolarHBondContact OD1-N 3.28Å; D412-R416 PolarHBondContact O-N 3.4Å; D412-R416 PolarHBondContact O-NE 3.38Å |
| 413 | E | 95.6 | Very high | 95.1 | Very high | 85 Ų | 85 | 43.2 Ų | 43.2 | 40% | 0.397 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.7 | -42.3 | 178.5 | -179.8 | -179.8 | 163.3 | 0 | 0 | 112.3 | R416 L417 T450 S452 I453 | E413-R416 PolarHBondContact O-N 2.5Å; E413-L417 VanDerWaalsContact O-CB 3.25Å; E413-L417 WeakPolarHBondContact O-CB 3.08Å; E413-L417 PolarHBondContact O-N 2.84Å; E413-T450 HydrophobicContact CG-CG2 3.9Å; E413-T450 WeakPolarHBondContact OE2-CG2 3.13Å; E413-S452 VanDerWaalsContact OE1-CB 3.26Å; E413-S452 WeakPolarHBondContact OE1-CB 3.37Å; E413-S452 PolarHBondContact OE1-OG 3.39Å; E413-I453 HydrophobicContact CG-CD1 4.16Å |
| 414 | E | 96.7 | Very high | 95 | Very high | 116 Ų | 116 | 42.2 Ų | 42.2 | 54% | 0.542 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69 | -39.6 | -178.2 | -59.1 | -164.1 | 149.9 | 0 | 0 | 111 | K379 D412 L417 L418 | K379-E414 HydrophobicContact CD-CB 4.16Å; K379-E414 IonicContact NZ-OE2 2.74Å; K379-E414 PolarHBondContact NZ-OE2 3.08Å; D412-E414 WeakPolarHBondContact OD1-CA 3.5Å; D412-E414 WeakPolarHBondContact OD1-CB 3.19Å; D412-E414 PolarHBondContact OD1-N 3.02Å; E414-L417 PolarHBondContact O-N 3.2Å; E414-L418 WeakPolarHBondContact O-CB 3.23Å; E414-L418 PolarHBondContact O-N 3.36Å |
| 415 | V | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61 | -49.1 | 175.2 | -178 | 0 | 0 | 0 | 0 | 110.4 | R378 K379 I382 R407 D410 D412 L417 L418 A419 | R378-V415 HydrophobicContact CB-CG1 4.25Å; R378-V415 HydrophobicContact CB-CG2 4.34Å; K379-V415 HydrophobicContact CG-CG2 4.02Å; I382-V415 HydrophobicContact CD1-CG1 3.61Å; R407-V415 HydrophobicContact CB-CG1 4.22Å; D410-V415 HydrophobicContact CB-CB 4.06Å; D410-V415 HydrophobicContact CB-CG1 3.74Å; D410-V415 VanDerWaalsContact CG-CG1 3.44Å; D410-V415 WeakPolarHBondContact OD2-CG1 3.41Å; D412-V415 HydrophobicContact CB-CB 3.96Å; D412-V415 HydrophobicContact CB-CG2 3.64Å; D412-V415 PolarHBondContact OD1-N 3.28Å; V415-L417 PolarHBondContact O-N 3.14Å; V415-L418 PolarHBondContact O-N 3.1Å; V415-A419 WeakPolarHBondContact O-CB 3.29Å; V415-A419 PolarHBondContact O-N 3.34Å |
| 416 | R | 96.6 | Very high | 94.7 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 175.5 | -81.2 | -177.3 | -74.1 | 143.5 | 4 | 112.7 | I408 D410 D412 E413 A419 L420 D448 T450 I453 | I408-R416 WeakPolarHBondContact O-CG 3.35Å; D410-R416 HydrophobicContact CB-CG 3.96Å; D410-R416 WeakPolarHBondContact O-CD 3.45Å; D410-R416 VanDerWaalsContact O-CG 3.24Å; D410-R416 WeakPolarHBondContact O-CG 3.46Å; D410-R416 PolarHBondContact O-NE 3.03Å; D412-R416 PolarHBondContact O-N 3.4Å; D412-R416 PolarHBondContact O-NE 3.38Å; E413-R416 PolarHBondContact O-N 2.5Å; R416-A419 PolarHBondContact O-N 3.04Å; R416-L420 VanDerWaalsContact O-CB 3.23Å; R416-L420 WeakPolarHBondContact O-CB 3.42Å; R416-L420 PolarHBondContact O-N 2.85Å; R416-D448 IonicContact CZ-OD2 3.95Å; R416-D448 VanDerWaalsContact NH1-CG 3.27Å; R416-D448 IonicContact NH1-OD1 3.14Å; R416-D448 PolarHBondContact NH1-OD1 3.35Å; R416-D448 IonicContact NH1-OD2 2.68Å; R416-D448 PolarHBondContact NH1-OD2 2.66Å; R416-T450 PolarHBondContact NH1-OG1 3.08Å; R416-T450 VanDerWaalsContact NH1-OG1 3.07Å; R416-I453 HydrophobicContact CB-CD1 3.56Å; R416-I453 HydrophobicContact CB-CG1 4.37Å; R416-I453 HydrophobicContact CG-CD1 4.42Å; R416-I453 VanDerWaalsContact CZ-CD1 3.47Å |
| 417 | L | 96.9 | Very high | 94.4 | Very high | 32 Ų | 32 | 39.5 Ų | 39.5 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.8 | -37.9 | -178.5 | -176.6 | 62.5 | 0 | 0 | 0 | 111.7 | E413 E414 V415 K421 I453 E456 | E413-L417 VanDerWaalsContact O-CB 3.25Å; E413-L417 WeakPolarHBondContact O-CB 3.08Å; E413-L417 PolarHBondContact O-N 2.84Å; E414-L417 PolarHBondContact O-N 3.2Å; V415-L417 PolarHBondContact O-N 3.14Å; L417-K421 HydrophobicContact CG-CD 4.39Å; L417-K421 WeakPolarHBondContact O-CB 3.4Å; L417-K421 VanDerWaalsContact O-CG 3.26Å; L417-K421 WeakPolarHBondContact O-CG 3.29Å; L417-K421 PolarHBondContact O-N 3.02Å; L417-I453 HydrophobicContact CB-CG1 4.26Å; L417-I453 HydrophobicContact CD1-CG1 4.4Å; L417-E456 HydrophobicContact CD1-CB 3.94Å; L417-E456 HydrophobicContact CD1-CG 4.27Å |
| 418 | L | 97 | Very high | 93.8 | Very high | 48 Ų | 48 | 44.3 Ų | 44.3 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.9 | -46.2 | 174.1 | -175.2 | 64.6 | 0 | 0 | 0 | 110.9 | K379 I382 E414 V415 L420 K421 T422 | K379-L418 HydrophobicContact CB-CD2 3.94Å; K379-L418 HydrophobicContact CG-CD2 3.92Å; K379-L418 WeakPolarHBondContact O-CD2 3.18Å; I382-L418 HydrophobicContact CB-CD2 4.15Å; I382-L418 HydrophobicContact CB-CG 4.38Å; I382-L418 HydrophobicContact CG2-CD2 4.07Å; I382-L418 HydrophobicContact CG2-CG 3.76Å; E414-L418 WeakPolarHBondContact O-CB 3.23Å; E414-L418 PolarHBondContact O-N 3.36Å; V415-L418 PolarHBondContact O-N 3.1Å; L418-L420 PolarHBondContact O-N 2.91Å; L418-K421 PolarHBondContact O-N 2.85Å; L418-T422 PolarHBondContact O-N 3.46Å; L418-T422 PolarHBondContact O-OG1 3.03Å |
| 419 | A | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.6 | -47.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I382 F404 R407 I408 V415 R416 K421 T422 M423 | I382-A419 HydrophobicContact CD1-CB 3.98Å; F404-A419 HydrophobicContact CE2-CB 4.03Å; F404-A419 VanDerWaalsContact CZ-O 3.27Å; F404-A419 WeakPolarHBondContact CZ-O 3.17Å; R407-A419 HydrophobicContact CB-CB 4.02Å; I408-A419 HydrophobicContact CG1-CB 4.13Å; V415-A419 WeakPolarHBondContact O-CB 3.29Å; V415-A419 PolarHBondContact O-N 3.34Å; R416-A419 PolarHBondContact O-N 3.04Å; A419-K421 PolarHBondContact O-N 2.91Å; A419-T422 PolarHBondContact O-N 3.04Å; A419-M423 WeakPolarHBondContact O-CB 3.31Å; A419-M423 PolarHBondContact O-N 3.16Å |
| 420 | L | 95.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -38.8 | 178.3 | 179.9 | 58.2 | 0 | 0 | 0 | 112.9 | R416 L418 M423 T424 L442 R445 I453 E456 A457 | R416-L420 VanDerWaalsContact O-CB 3.23Å; R416-L420 WeakPolarHBondContact O-CB 3.42Å; R416-L420 PolarHBondContact O-N 2.85Å; L418-L420 PolarHBondContact O-N 2.91Å; L420-M423 HydrophobicContact CD1-CE 4.01Å; L420-T424 WeakPolarHBondContact O-CB 3.35Å; L420-T424 PolarHBondContact O-N 3.42Å; L420-T424 PolarHBondContact O-OG1 3.35Å; L420-L442 HydrophobicContact CD1-CD2 3.51Å; L420-R445 HydrophobicContact CD1-CB 4.37Å; L420-R445 HydrophobicContact CD1-CG 4.4Å; L420-R445 HydrophobicContact CD2-CB 4.16Å; L420-R445 HydrophobicContact CD2-CG 4.47Å; L420-I453 HydrophobicContact CD2-CB 4.5Å; L420-I453 HydrophobicContact CD2-CG2 3.75Å; L420-I453 WeakPolarHBondContact CD2-O 3.23Å; L420-E456 HydrophobicContact CD2-CB 3.85Å; L420-E456 HydrophobicContact CD2-CG 4.16Å; L420-E456 HydrophobicContact CG-CB 4.3Å; L420-E456 HydrophobicContact CG-CG 4.05Å; L420-A457 HydrophobicContact CD1-CB 4.42Å; L420-A457 HydrophobicContact CD2-CB 4Å |
| 421 | K | 95.8 | Very high | 90.6 | Very high | 96 Ų | 96 | 56.8 Ų | 56.8 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.5 | -45.8 | 173.1 | -77.5 | 171.3 | -179.4 | 171.5 | 0 | 112.1 | L417 L418 A419 M423 T424 G425 E456 | L417-K421 HydrophobicContact CG-CD 4.39Å; L417-K421 WeakPolarHBondContact O-CB 3.4Å; L417-K421 VanDerWaalsContact O-CG 3.26Å; L417-K421 WeakPolarHBondContact O-CG 3.29Å; L417-K421 PolarHBondContact O-N 3.02Å; L418-K421 PolarHBondContact O-N 2.85Å; A419-K421 PolarHBondContact O-N 2.91Å; K421-M423 PolarHBondContact O-N 3.06Å; K421-T424 PolarHBondContact O-N 3.32Å; K421-G425 PolarHBondContact O-N 2.73Å; K421-E456 WeakPolarHBondContact CE-OE2 3.21Å; K421-E456 HydrophobicContact CG-CG 3.82Å |
| 422 | T | 94.8 | Very high | 89.1 | Confident | 19 Ų | 19 | 57.5 Ų | 57.5 | 12% | 0.117 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 176.5 | -65.5 | 0 | 0 | 0 | 0 | 110.9 | I382 L385 P386 F404 L418 A419 T424 G425 L426 | I382-T422 HydrophobicContact CG2-CG2 4.3Å; I382-T422 WeakPolarHBondContact CG2-OG1 3.49Å; L385-T422 HydrophobicContact CD2-CG2 4.47Å; P386-T422 HydrophobicContact CG-CG2 3.86Å; F404-T422 HydrophobicContact CE2-CG2 3.97Å; F404-T422 HydrophobicContact CZ-CG2 4.04Å; L418-T422 PolarHBondContact O-N 3.46Å; L418-T422 PolarHBondContact O-OG1 3.03Å; A419-T422 PolarHBondContact O-N 3.04Å; T422-T424 PolarHBondContact O-N 3.41Å; T422-G425 PolarHBondContact O-N 3.17Å; T422-G425 VanDerWaalsContact O-N 3.13Å; T422-L426 HydrophobicContact CG2-CD1 4.2Å; T422-L426 WeakPolarHBondContact O-CG 3.36Å; T422-L426 PolarHBondContact O-N 3.39Å |
| 423 | M | 93 | Very high | 87.7 | Confident | 9 Ų | 9 | 61.2 Ų | 61.2 | 4% | 0.044 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 175.5 | -173.2 | 175.4 | 66.4 | 0 | 0 | 111.2 | F404 I408 A419 L420 K421 G425 L426 I427 A438 L441 L442 | F404-M423 HydrophobicContact CE1-CB 3.93Å; F404-M423 HydrophobicContact CE1-CG 4.38Å; F404-M423 HydrophobicContact CZ-CB 3.82Å; I408-M423 HydrophobicContact CD1-CE 3.93Å; I408-M423 HydrophobicContact CD1-SD 3.51Å; I408-M423 VanDerWaalsContact CD1-SD 3.51Å; A419-M423 WeakPolarHBondContact O-CB 3.31Å; A419-M423 PolarHBondContact O-N 3.16Å; L420-M423 HydrophobicContact CD1-CE 4.01Å; K421-M423 PolarHBondContact O-N 3.06Å; M423-G425 PolarHBondContact O-N 3.01Å; M423-L426 PolarHBondContact O-N 2.93Å; M423-I427 HydrophobicContact CG-CD1 3.81Å; M423-I427 HydrophobicContact CG-CG1 4.39Å; M423-I427 VanDerWaalsContact O-CG1 3.27Å; M423-I427 WeakPolarHBondContact O-CG1 3.38Å; M423-I427 PolarHBondContact O-N 3.46Å; M423-A438 HydrophobicContact SD-CB 4.33Å; M423-L441 HydrophobicContact CE-CB 4.02Å; M423-L441 HydrophobicContact SD-CB 4.28Å; M423-L441 HydrophobicContact SD-CD1 4.14Å; M423-L442 HydrophobicContact CE-CD2 3.57Å; M423-L442 HydrophobicContact CE-CG 3.82Å |
| 424 | T | 90.5 | Very high | 86.8 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -31.1 | 176.7 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | L420 K421 T422 K428 A460 | L420-T424 WeakPolarHBondContact O-CB 3.35Å; L420-T424 PolarHBondContact O-N 3.42Å; L420-T424 PolarHBondContact O-OG1 3.35Å; K421-T424 PolarHBondContact O-N 3.32Å; T422-T424 PolarHBondContact O-N 3.41Å; T424-K428 HydrophobicContact CG2-CD 4.36Å; T424-K428 WeakPolarHBondContact O-CD 3.35Å; T424-K428 VanDerWaalsContact O-CG 3.25Å; T424-K428 WeakPolarHBondContact O-CG 3.38Å; T424-K428 PolarHBondContact O-N 2.95Å; T424-A460 HydrophobicContact CG2-CB 3.59Å; T424-A460 WeakPolarHBondContact OG1-CB 3.19Å |
| 425 | G | 90.7 | Very high | 86.2 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.8 | -46 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K421 T422 M423 K428 Q429 | K421-G425 PolarHBondContact O-N 2.73Å; T422-G425 PolarHBondContact O-N 3.17Å; T422-G425 VanDerWaalsContact O-N 3.13Å; M423-G425 PolarHBondContact O-N 3.01Å; G425-K428 PolarHBondContact O-N 3.11Å; G425-Q429 WeakPolarHBondContact O-CG 3.34Å; G425-Q429 PolarHBondContact O-N 3.23Å |
| 426 | L | 87.6 | Confident | 85.7 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 177.6 | -67.8 | 170.1 | 0 | 0 | 0 | 111.6 | L385 P386 L389 T422 M423 K428 Q429 S430 | L385-L426 HydrophobicContact CD2-CD1 4.36Å; P386-L426 HydrophobicContact CB-CD2 4.35Å; L389-L426 HydrophobicContact CD1-CD1 3.87Å; L389-L426 HydrophobicContact CD1-CD2 4.05Å; T422-L426 HydrophobicContact CG2-CD1 4.2Å; T422-L426 WeakPolarHBondContact O-CG 3.36Å; T422-L426 PolarHBondContact O-N 3.39Å; M423-L426 PolarHBondContact O-N 2.93Å; L426-K428 PolarHBondContact O-N 2.87Å; L426-Q429 PolarHBondContact O-N 3.33Å; L426-S430 PolarHBondContact O-N 3.22Å; L426-S430 VanDerWaalsContact O-N 3.08Å |
| 427 | I | 86.5 | Confident | 85.2 | Confident | 17 Ų | 17 | 63 Ų | 63 | 9% | 0.087 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.5 | -26.7 | 176.8 | -61.2 | 163.2 | 0 | 0 | 0 | 112 | M423 Q429 S430 V434 A438 L442 L464 | M423-I427 HydrophobicContact CG-CD1 3.81Å; M423-I427 HydrophobicContact CG-CG1 4.39Å; M423-I427 VanDerWaalsContact O-CG1 3.27Å; M423-I427 WeakPolarHBondContact O-CG1 3.38Å; M423-I427 PolarHBondContact O-N 3.46Å; I427-Q429 VanDerWaalsContact C-N 3.34Å; I427-S430 PolarHBondContact O-OG 3.25Å; I427-S430 VanDerWaalsContact O-OG 3.08Å; I427-V434 HydrophobicContact CD1-CG1 4.28Å; I427-V434 HydrophobicContact CG1-CG1 4.38Å; I427-V434 HydrophobicContact CG2-CB 4.35Å; I427-V434 HydrophobicContact CG2-CG1 3.83Å; I427-V434 HydrophobicContact CG2-CG2 3.67Å; I427-A438 HydrophobicContact CD1-CB 4.12Å; I427-L442 HydrophobicContact CD1-CD1 4.19Å; I427-L464 HydrophobicContact CG2-CD2 3.76Å |
| 428 | K | 83.1 | Confident | 84.8 | Confident | 128 Ų | 128 | 62.1 Ų | 62.1 | 56% | 0.557 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -7.6 | 175.2 | -75 | 172.5 | -179.8 | 177 | 0 | 113.9 | T424 G425 L426 S463 | T424-K428 HydrophobicContact CG2-CD 4.36Å; T424-K428 WeakPolarHBondContact O-CD 3.35Å; T424-K428 VanDerWaalsContact O-CG 3.25Å; T424-K428 WeakPolarHBondContact O-CG 3.38Å; T424-K428 PolarHBondContact O-N 2.95Å; G425-K428 PolarHBondContact O-N 3.11Å; L426-K428 PolarHBondContact O-N 2.87Å; K428-S463 PolarHBondContact NZ-OG 2.98Å |
| 429 | Q | 81.1 | Confident | 84.6 | Confident | 134 Ų | 134 | 60.3 Ų | 60.3 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -19.7 | 177.6 | -68.7 | 178 | 23.5 | 0 | 0 | 112.7 | G425 L426 I427 | G425-Q429 WeakPolarHBondContact O-CG 3.34Å; G425-Q429 PolarHBondContact O-N 3.23Å; L426-Q429 PolarHBondContact O-N 3.33Å; I427-Q429 VanDerWaalsContact C-N 3.34Å |
| 430 | S | 74.1 | Confident | 84.5 | Confident | 51 Ų | 51 | 64.4 Ų | 64.4 | 36% | 0.357 | 33% | 0.333 | S | S | . | . | trans | -75.1 | 123.6 | 171 | 52.8 | 0 | 0 | 0 | 0 | 111.3 | L426 I427 N432 | L426-S430 PolarHBondContact O-N 3.22Å; L426-S430 VanDerWaalsContact O-N 3.08Å; I427-S430 PolarHBondContact O-OG 3.25Å; I427-S430 VanDerWaalsContact O-OG 3.08Å; S430-N432 VanDerWaalsContact C-N 3.28Å | ||
| 431 | E | 63.3 | Low | 84.3 | Confident | 194 Ų | 194 | 65 Ų | 65 | 91% | 0.907 | 34% | 0.336 | S | S | * | . | trans | -76.6 | -17.3 | 171.8 | -59.4 | -173.9 | 153 | 0 | 0 | 112.7 | ||||
| 432 | N | 62.1 | Low | 84.3 | Confident | 131 Ų | 131 | 60.4 Ų | 60.4 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -78.2 | 161.9 | 177.8 | -64.7 | -18.8 | 0 | 0 | 0 | 112.5 | S430 W473 | S430-N432 VanDerWaalsContact C-N 3.28Å; N432-W473 WeakPolarHBondContact O-CZ3 3.38Å |
| 433 | E | 67.2 | Low | 84.3 | Confident | 118 Ų | 118 | 61.3 Ų | 61.3 | 55% | 0.551 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 144.4 | 172.6 | -84.7 | -151.7 | -167.1 | 0 | 0 | 113.1 | S435 K478 | E433-S435 PolarHBondContact O-N 3.43Å; E433-K478 IonicContact OE2-NZ 3.82Å; E433-K478 PolarHBondContact OE2-NZ 3.48Å |
| 434 | V | 77.2 | Confident | 84.4 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 121.2 | 174.2 | -167.3 | 0 | 0 | 0 | 0 | 109.8 | I427 A438 F439 L464 W473 K478 | I427-V434 HydrophobicContact CD1-CG1 4.28Å; I427-V434 HydrophobicContact CG1-CG1 4.38Å; I427-V434 HydrophobicContact CG2-CB 4.35Å; I427-V434 HydrophobicContact CG2-CG1 3.83Å; I427-V434 HydrophobicContact CG2-CG2 3.67Å; V434-A438 HydrophobicContact CG1-CB 4.31Å; V434-F439 HydrophobicContact CG1-CB 4.31Å; V434-L464 HydrophobicContact CG1-CD1 4.42Å; V434-L464 HydrophobicContact CG2-CD1 4.2Å; V434-L464 HydrophobicContact CG2-CD2 3.86Å; V434-W473 HydrophobicContact CG2-CH2 3.43Å; V434-W473 VanDerWaalsContact CG2-CH2 3.43Å; V434-W473 HydrophobicContact CG2-CZ2 4.38Å; V434-W473 HydrophobicContact CG2-CZ3 3.7Å; V434-K478 PolarHBondContact O-NZ 3.45Å |
| 435 | S | 84 | Confident | 84.6 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 41% | 0.413 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -50.6 | 140.7 | 170.8 | 158.5 | 0 | 0 | 0 | 0 | 111.3 | E433 D437 A438 F439 | E433-S435 PolarHBondContact O-N 3.43Å; S435-D437 VanDerWaalsContact C-N 3.3Å; S435-D437 PolarHBondContact O-N 2.88Å; S435-D437 PolarHBondContact OG-N 3.16Å; S435-D437 PolarHBondContact OG-OD2 3.3Å; S435-A438 PolarHBondContact O-N 3.17Å; S435-F439 PolarHBondContact O-N 3.28Å |
| 436 | D | 86.3 | Confident | 84.8 | Confident | 105 Ų | 105 | 64.5 Ų | 64.5 | 56% | 0.561 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.2 | -37.1 | -178.3 | -69.1 | -17.4 | 0 | 0 | 0 | 111.8 | F439 E440 K478 | D436-F439 PolarHBondContact O-N 3.41Å; D436-E440 PolarHBondContact O-N 3.35Å; D436-K478 WeakPolarHBondContact OD1-CE 3.32Å; D436-K478 IonicContact OD1-NZ 2.73Å; D436-K478 PolarHBondContact OD1-NZ 3.11Å |
| 437 | D | 86.7 | Confident | 85 | Confident | 102 Ų | 102 | 70.8 Ų | 70.8 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 176.2 | -49 | -54 | 0 | 0 | 0 | 111 | S435 F439 E440 L441 | S435-D437 VanDerWaalsContact C-N 3.3Å; S435-D437 PolarHBondContact O-N 2.88Å; S435-D437 PolarHBondContact OG-N 3.16Å; S435-D437 PolarHBondContact OG-OD2 3.3Å; D437-F439 VanDerWaalsContact C-N 3.26Å; D437-F439 PolarHBondContact O-N 3.04Å; D437-E440 PolarHBondContact O-N 2.86Å; D437-L441 WeakPolarHBondContact O-CB 3.1Å; D437-L441 WeakPolarHBondContact O-CD1 3.39Å; D437-L441 WeakPolarHBondContact O-CG 3.45Å; D437-L441 PolarHBondContact O-N 2.84Å |
| 438 | A | 88.5 | Confident | 85.4 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 10% | 0.099 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.3 | -34.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M423 I427 V434 S435 L442 | M423-A438 HydrophobicContact SD-CB 4.33Å; I427-A438 HydrophobicContact CD1-CB 4.12Å; V434-A438 HydrophobicContact CG1-CB 4.31Å; S435-A438 PolarHBondContact O-N 3.17Å; A438-L442 WeakPolarHBondContact O-CG 3.32Å; A438-L442 PolarHBondContact O-N 3.47Å |
| 439 | F | 91.6 | Very high | 85.8 | Confident | 10 Ų | 10 | 74.4 Ų | 74.4 | 4% | 0.044 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -72.5 | -40.7 | 175.7 | -173.6 | -101.5 | 0 | 0 | 0 | 112.6 | V434 S435 D436 D437 L442 K443 L461 L464 K478 A482 | V434-F439 HydrophobicContact CG1-CB 4.31Å; S435-F439 PolarHBondContact O-N 3.28Å; D436-F439 PolarHBondContact O-N 3.41Å; D437-F439 VanDerWaalsContact C-N 3.26Å; D437-F439 PolarHBondContact O-N 3.04Å; F439-L442 PolarHBondContact O-N 3Å; F439-K443 HydrophobicContact CD1-CD 3.96Å; F439-K443 HydrophobicContact CE1-CD 3.59Å; F439-K443 HydrophobicContact CE1-CG 4.36Å; F439-K443 HydrophobicContact CZ-CD 4.29Å; F439-K443 PolarHBondContact O-N 3.19Å; F439-K443 VanDerWaalsContact O-N 3.13Å; F439-L461 HydrophobicContact CD2-CD2 4.28Å; F439-L461 HydrophobicContact CE2-CD2 3.86Å; F439-L461 HydrophobicContact CZ-CD2 4.35Å; F439-L464 HydrophobicContact CD2-CD1 4.09Å; F439-L464 HydrophobicContact CE2-CD1 4.4Å; F439-K478 HydrophobicContact CD1-CG 4.39Å; F439-K478 HydrophobicContact CE1-CB 4.35Å; F439-K478 HydrophobicContact CE1-CG 4.25Å; F439-K478 HydrophobicContact CE2-CB 4.29Å; F439-K478 HydrophobicContact CZ-CB 4.06Å; F439-K478 HydrophobicContact CZ-CG 4.43Å; F439-K478 VanDerWaalsContact CZ-O 3.24Å; F439-K478 WeakPolarHBondContact CZ-O 3.43Å; F439-A482 HydrophobicContact CE2-CB 4.09Å; F439-A482 HydrophobicContact CZ-CB 3.99Å |
| 440 | E | 93.7 | Very high | 86.4 | Confident | 86 Ų | 86 | 69.3 Ų | 69.3 | 40% | 0.402 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.9 | -37.5 | 177.3 | -161.6 | 58.7 | -137 | 0 | 0 | 111.9 | D436 D437 L442 K443 E444 | D436-E440 PolarHBondContact O-N 3.35Å; D437-E440 PolarHBondContact O-N 2.86Å; E440-L442 VanDerWaalsContact C-N 3.3Å; E440-L442 PolarHBondContact O-N 2.94Å; E440-K443 CarbonylContact O-C 3.56Å; E440-K443 WeakPolarHBondContact O-CA 3.29Å; E440-K443 WeakPolarHBondContact O-CB 3.35Å; E440-K443 PolarHBondContact O-N 3.44Å; E440-K443 IonicContact OE1-NZ 3.67Å; E440-K443 PolarHBondContact OE1-NZ 3.49Å; E440-K443 IonicContact OE2-NZ 3.82Å; E440-K443 PolarHBondContact OE2-NZ 3.33Å; E440-E444 PolarHBondContact O-N 3.45Å |
| 441 | L | 93.6 | Very high | 87.3 | Confident | 13 Ų | 13 | 70 Ų | 70 | 7% | 0.068 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.7 | -43.7 | 170.5 | -75.8 | 163.3 | 0 | 0 | 0 | 111.9 | Q405 I408 Y409 M423 D437 E444 R445 | Q405-L441 HydrophobicContact CB-CD1 4.41Å; Q405-L441 HydrophobicContact CG-CD1 3.84Å; I408-L441 HydrophobicContact CB-CD2 4.43Å; I408-L441 HydrophobicContact CD1-CB 4.47Å; I408-L441 HydrophobicContact CD1-CD1 3.92Å; I408-L441 HydrophobicContact CD1-CD2 4.16Å; I408-L441 HydrophobicContact CD1-CG 4.43Å; I408-L441 HydrophobicContact CG2-CD2 4.17Å; Y409-L441 HydrophobicContact CE2-CD2 3.46Å; Y409-L441 VanDerWaalsContact CE2-CD2 3.46Å; Y409-L441 WeakPolarHBondContact OH-CD2 3.44Å; M423-L441 HydrophobicContact CE-CB 4.02Å; M423-L441 HydrophobicContact SD-CB 4.28Å; M423-L441 HydrophobicContact SD-CD1 4.14Å; D437-L441 WeakPolarHBondContact O-CB 3.1Å; D437-L441 WeakPolarHBondContact O-CD1 3.39Å; D437-L441 WeakPolarHBondContact O-CG 3.45Å; D437-L441 PolarHBondContact O-N 2.84Å; L441-E444 PolarHBondContact O-N 2.87Å; L441-R445 WeakPolarHBondContact O-CG 3.46Å; L441-R445 PolarHBondContact O-N 3.1Å |
| 442 | L | 94.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 173.5 | -71.6 | -179.9 | 0 | 0 | 0 | 112.3 | L420 M423 I427 A438 F439 E440 R445 S446 A460 L461 L464 | L420-L442 HydrophobicContact CD1-CD2 3.51Å; M423-L442 HydrophobicContact CE-CD2 3.57Å; M423-L442 HydrophobicContact CE-CG 3.82Å; I427-L442 HydrophobicContact CD1-CD1 4.19Å; A438-L442 WeakPolarHBondContact O-CG 3.32Å; A438-L442 PolarHBondContact O-N 3.47Å; F439-L442 PolarHBondContact O-N 3Å; E440-L442 VanDerWaalsContact C-N 3.3Å; E440-L442 PolarHBondContact O-N 2.94Å; L442-R445 PolarHBondContact O-N 2.97Å; L442-S446 PolarHBondContact O-N 2.57Å; L442-S446 VanDerWaalsContact O-N 3.07Å; L442-A460 HydrophobicContact CD1-CB 3.97Å; L442-A460 HydrophobicContact CD2-CB 3.68Å; L442-A460 HydrophobicContact CG-CB 4.47Å; L442-L461 HydrophobicContact CB-CD2 3.72Å; L442-L461 HydrophobicContact CB-CG 3.97Å; L442-L461 HydrophobicContact CD1-CD2 4.22Å; L442-L464 HydrophobicContact CD1-CD1 3.84Å |
| 443 | K | 94.9 | Very high | 90.4 | Very high | 37 Ų | 37 | 56 Ų | 56 | 16% | 0.161 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -43.7 | 176.3 | -73 | 172.8 | 62 | -123.7 | 0 | 111.9 | F439 E440 S446 L461 S481 T485 | F439-K443 HydrophobicContact CD1-CD 3.96Å; F439-K443 HydrophobicContact CE1-CD 3.59Å; F439-K443 HydrophobicContact CE1-CG 4.36Å; F439-K443 HydrophobicContact CZ-CD 4.29Å; F439-K443 PolarHBondContact O-N 3.19Å; F439-K443 VanDerWaalsContact O-N 3.13Å; E440-K443 CarbonylContact O-C 3.56Å; E440-K443 WeakPolarHBondContact O-CA 3.29Å; E440-K443 WeakPolarHBondContact O-CB 3.35Å; E440-K443 PolarHBondContact O-N 3.44Å; E440-K443 IonicContact OE1-NZ 3.67Å; E440-K443 PolarHBondContact OE1-NZ 3.49Å; E440-K443 IonicContact OE2-NZ 3.82Å; E440-K443 PolarHBondContact OE2-NZ 3.33Å; K443-S446 WeakPolarHBondContact O-CB 3.37Å; K443-S446 PolarHBondContact O-N 3.03Å; K443-S446 PolarHBondContact O-OG 3.39Å; K443-L461 HydrophobicContact CG-CD1 4.45Å; K443-L461 HydrophobicContact CG-CD2 4.35Å; K443-S481 WeakPolarHBondContact CD-OG 3.14Å; K443-S481 WeakPolarHBondContact CE-OG 3.45Å; K443-T485 HydrophobicContact CB-CG2 4.45Å; K443-T485 HydrophobicContact CG-CG2 4.29Å |
| 444 | E | 94.8 | Very high | 91.8 | Very high | 82 Ų | 82 | 51.7 Ų | 51.7 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 175 | -72.5 | -159.5 | 170 | 0 | 0 | 112.4 | Y409 E440 L441 S446 R447 | Y409-E444 WeakPolarHBondContact CE1-OE2 3.37Å; Y409-E444 VanDerWaalsContact CZ-OE2 3.29Å; Y409-E444 PolarHBondContact OH-OE2 3.48Å; E440-E444 PolarHBondContact O-N 3.45Å; L441-E444 PolarHBondContact O-N 2.87Å; E444-S446 PolarHBondContact O-N 2.94Å; E444-R447 WeakPolarHBondContact O-CA 3.02Å; E444-R447 PolarHBondContact O-N 2.87Å |
| 445 | R | 95.2 | Very high | 92.6 | Very high | 27 Ų | 27 | 57.2 Ų | 57.2 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -21.6 | -179.8 | -68.7 | -43.7 | 89.1 | 152.2 | 0.7 | 113.5 | I408 L420 L441 L442 R447 D448 I453 A457 | I408-R445 HydrophobicContact CG2-CG 3.41Å; I408-R445 VanDerWaalsContact CG2-CG 3.41Å; I408-R445 WeakPolarHBondContact O-CD 3.35Å; I408-R445 PolarHBondContact O-NH1 2.95Å; L420-R445 HydrophobicContact CD1-CB 4.37Å; L420-R445 HydrophobicContact CD1-CG 4.4Å; L420-R445 HydrophobicContact CD2-CB 4.16Å; L420-R445 HydrophobicContact CD2-CG 4.47Å; L441-R445 WeakPolarHBondContact O-CG 3.46Å; L441-R445 PolarHBondContact O-N 3.1Å; L442-R445 PolarHBondContact O-N 2.97Å; R445-R447 PolarHBondContact O-N 2.85Å; R445-R447 VanDerWaalsContact O-N 3.16Å; R445-D448 VanDerWaalsContact O-CB 3.29Å; R445-D448 WeakPolarHBondContact O-CB 3.24Å; R445-D448 PolarHBondContact O-N 2.97Å; R445-D448 VanDerWaalsContact O-N 3.15Å; R445-I453 HydrophobicContact CB-CG2 4.09Å; R445-I453 HydrophobicContact CG-CG2 4.37Å; R445-A457 VanDerWaalsContact C-CB 3.49Å; R445-A457 HydrophobicContact CB-CB 3.69Å |
| 446 | S | 94.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17 | 168.6 | 82.5 | 0 | 0 | 0 | 0 | 113.6 | L442 K443 E444 R454 T485 | L442-S446 PolarHBondContact O-N 2.57Å; L442-S446 VanDerWaalsContact O-N 3.07Å; K443-S446 WeakPolarHBondContact O-CB 3.37Å; K443-S446 PolarHBondContact O-N 3.03Å; K443-S446 PolarHBondContact O-OG 3.39Å; E444-S446 PolarHBondContact O-N 2.94Å; S446-R454 VanDerWaalsContact O-CD 3.26Å; S446-R454 WeakPolarHBondContact O-CD 3.49Å; S446-R454 WeakPolarHBondContact O-CG 3.21Å; S446-T485 WeakPolarHBondContact OG-CG2 3.32Å |
| 447 | R | 92.7 | Very high | 93.7 | Very high | 174 Ų | 174 | 51.7 Ų | 51.7 | 66% | 0.657 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | 13.3 | 177.7 | -61.1 | 178.2 | 176.3 | 169.5 | -2.1 | 113.2 | E444 R445 | E444-R447 WeakPolarHBondContact O-CA 3.02Å; E444-R447 PolarHBondContact O-N 2.87Å; R445-R447 PolarHBondContact O-N 2.85Å; R445-R447 VanDerWaalsContact O-N 3.16Å |
| 448 | D | 94.7 | Very high | 94.2 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 9% | 0.086 | 21% | 0.214 | C | C | . | . | trans | -57.1 | 153.2 | 175.8 | -169.6 | -73.8 | 0 | 0 | 0 | 111.5 | R416 R445 T450 I453 R454 | R416-D448 IonicContact CZ-OD2 3.95Å; R416-D448 VanDerWaalsContact NH1-CG 3.27Å; R416-D448 IonicContact NH1-OD1 3.14Å; R416-D448 PolarHBondContact NH1-OD1 3.35Å; R416-D448 IonicContact NH1-OD2 2.68Å; R416-D448 PolarHBondContact NH1-OD2 2.66Å; R445-D448 VanDerWaalsContact O-CB 3.29Å; R445-D448 WeakPolarHBondContact O-CB 3.24Å; R445-D448 PolarHBondContact O-N 2.97Å; R445-D448 VanDerWaalsContact O-N 3.15Å; D448-T450 PolarHBondContact O-N 3.49Å; D448-T450 VanDerWaalsContact O-N 3.17Å; D448-T450 VanDerWaalsContact OD1-CB 3.29Å; D448-T450 WeakPolarHBondContact OD1-CB 3.29Å; D448-T450 PolarHBondContact OD1-N 3.09Å; D448-T450 PolarHBondContact OD1-OG1 3.29Å; D448-I453 HydrophobicContact CB-CB 4.12Å; D448-I453 HydrophobicContact CB-CG2 3.61Å; D448-R454 HydrophobicContact CB-CG 4.22Å; D448-R454 WeakPolarHBondContact O-CD 3.47Å; D448-R454 VanDerWaalsContact O-CG 3.23Å; D448-R454 WeakPolarHBondContact O-CG 3.34Å; D448-R454 PolarHBondContact O-NH1 3.34Å | ||
| 449 | K | 92 | Very high | 94.5 | Very high | 205 Ų | 205 | 47.9 Ų | 47.9 | 89% | 0.891 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -57.8 | -27.6 | 175.5 | -62.6 | 176.3 | -177 | 173.2 | 0 | 112.4 | R454 | K449-R454 PolarHBondContact O-NH1 3.31Š|
| 450 | T | 93.7 | Very high | 94.7 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 17% | 0.166 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -104.7 | 127.1 | -163.4 | -16.9 | 0 | 0 | 0 | 0 | 111.8 | E413 R416 D448 S452 I453 R454 | E413-T450 HydrophobicContact CG-CG2 3.9Å; E413-T450 WeakPolarHBondContact OE2-CG2 3.13Å; R416-T450 PolarHBondContact NH1-OG1 3.08Å; R416-T450 VanDerWaalsContact NH1-OG1 3.07Å; D448-T450 PolarHBondContact O-N 3.49Å; D448-T450 VanDerWaalsContact O-N 3.17Å; D448-T450 VanDerWaalsContact OD1-CB 3.29Å; D448-T450 WeakPolarHBondContact OD1-CB 3.29Å; D448-T450 PolarHBondContact OD1-N 3.09Å; D448-T450 PolarHBondContact OD1-OG1 3.29Å; T450-S452 VanDerWaalsContact C-N 3.33Å; T450-S452 PolarHBondContact O-N 2.74Å; T450-I453 PolarHBondContact O-N 2.67Å; T450-R454 PolarHBondContact O-N 3.46Å |
| 451 | L | 92.1 | Very high | 94.7 | Very high | 64 Ų | 64 | 43.4 Ų | 43.4 | 34% | 0.335 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.8 | -36.7 | -172.6 | 178.6 | 66.8 | 0 | 0 | 0 | 113.2 | K455 D496 I500 | L451-K455 WeakPolarHBondContact O-CB 3.49Å; L451-K455 PolarHBondContact O-N 3.08Å; L451-D496 HydrophobicContact CD1-CB 4.02Å; L451-D496 HydrophobicContact CD2-CB 3.7Å; L451-I500 HydrophobicContact CD1-CD1 3.76Å |
| 452 | S | 94.7 | Very high | 94.8 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 22% | 0.217 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.4 | -49.7 | 175.3 | 49.2 | 0 | 0 | 0 | 0 | 112.3 | E413 T450 K455 E456 | E413-S452 VanDerWaalsContact OE1-CB 3.26Å; E413-S452 WeakPolarHBondContact OE1-CB 3.37Å; E413-S452 PolarHBondContact OE1-OG 3.39Å; T450-S452 VanDerWaalsContact C-N 3.33Å; T450-S452 PolarHBondContact O-N 2.74Å; S452-K455 WeakPolarHBondContact O-CB 3.34Å; S452-K455 PolarHBondContact O-N 2.71Å; S452-E456 PolarHBondContact O-N 3.08Å; S452-E456 VanDerWaalsContact O-N 3.11Å |
| 453 | I | 96.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.1 | -45.1 | -178.2 | -66.2 | 166.7 | 0 | 0 | 0 | 110.4 | E413 R416 L417 L420 R445 D448 T450 K455 E456 A457 | E413-I453 HydrophobicContact CG-CD1 4.16Å; R416-I453 HydrophobicContact CB-CD1 3.56Å; R416-I453 HydrophobicContact CB-CG1 4.37Å; R416-I453 HydrophobicContact CG-CD1 4.42Å; R416-I453 VanDerWaalsContact CZ-CD1 3.47Å; L417-I453 HydrophobicContact CB-CG1 4.26Å; L417-I453 HydrophobicContact CD1-CG1 4.4Å; L420-I453 HydrophobicContact CD2-CB 4.5Å; L420-I453 HydrophobicContact CD2-CG2 3.75Å; L420-I453 WeakPolarHBondContact CD2-O 3.23Å; R445-I453 HydrophobicContact CB-CG2 4.09Å; R445-I453 HydrophobicContact CG-CG2 4.37Å; D448-I453 HydrophobicContact CB-CB 4.12Å; D448-I453 HydrophobicContact CB-CG2 3.61Å; T450-I453 PolarHBondContact O-N 2.67Å; I453-K455 VanDerWaalsContact C-N 3.32Å; I453-K455 PolarHBondContact O-N 3.22Å; I453-E456 PolarHBondContact O-N 3.48Å; I453-A457 WeakPolarHBondContact O-CB 3.49Å; I453-A457 PolarHBondContact O-N 3.04Å |
| 454 | R | 95.6 | Very high | 94.3 | Very high | 28 Ų | 28 | 43.4 Ų | 43.4 | 11% | 0.106 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.2 | -46.6 | 173.1 | -68.6 | -161.8 | -61.1 | -82.7 | 3.2 | 111.8 | S446 D448 K449 T450 E456 A457 S458 D497 | S446-R454 VanDerWaalsContact O-CD 3.26Å; S446-R454 WeakPolarHBondContact O-CD 3.49Å; S446-R454 WeakPolarHBondContact O-CG 3.21Å; D448-R454 HydrophobicContact CB-CG 4.22Å; D448-R454 WeakPolarHBondContact O-CD 3.47Å; D448-R454 VanDerWaalsContact O-CG 3.23Å; D448-R454 WeakPolarHBondContact O-CG 3.34Å; D448-R454 PolarHBondContact O-NH1 3.34Å; K449-R454 PolarHBondContact O-NH1 3.31Å; T450-R454 PolarHBondContact O-N 3.46Å; R454-E456 PolarHBondContact O-N 2.95Å; R454-A457 PolarHBondContact O-N 3.34Å; R454-S458 WeakPolarHBondContact O-CB 3.3Å; R454-S458 PolarHBondContact O-N 2.97Å; R454-S458 PolarHBondContact O-OG 3.4Å; R454-D497 IonicContact CZ-OD1 2.71Å; R454-D497 IonicContact CZ-OD2 2.7Å; R454-D497 IonicContact NE-OD1 2.69Å; R454-D497 PolarHBondContact NE-OD1 2.88Å; R454-D497 IonicContact NE-OD2 3.69Å; R454-D497 IonicContact NH2-OD1 3.79Å; R454-D497 PolarHBondContact NH2-OD1 3.3Å; R454-D497 IonicContact NH2-OD2 3.46Å; R454-D497 PolarHBondContact NH2-OD2 3.05Å |
| 455 | K | 95.4 | Very high | 94.2 | Very high | 119 Ų | 119 | 39.6 Ų | 39.6 | 52% | 0.517 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.3 | -47.5 | 178 | 179.9 | -172 | 170 | -158.7 | 0 | 111.9 | L451 S452 I453 S459 I500 | L451-K455 WeakPolarHBondContact O-CB 3.49Å; L451-K455 PolarHBondContact O-N 3.08Å; S452-K455 WeakPolarHBondContact O-CB 3.34Å; S452-K455 PolarHBondContact O-N 2.71Å; I453-K455 VanDerWaalsContact C-N 3.32Å; I453-K455 PolarHBondContact O-N 3.22Å; K455-S459 VanDerWaalsContact O-CB 3.27Å; K455-S459 WeakPolarHBondContact O-CB 3.43Å; K455-S459 PolarHBondContact O-N 3.17Å; K455-S459 PolarHBondContact O-OG 3.36Å; K455-I500 HydrophobicContact CB-CD1 3.64Å; K455-I500 HydrophobicContact CB-CG1 4.36Å; K455-I500 HydrophobicContact CD-CD1 4.48Å; K455-I500 HydrophobicContact CG-CD1 3.91Å; K455-I500 HydrophobicContact CG-CG1 4.09Å |
| 456 | E | 96.2 | Very high | 93.9 | Very high | 49 Ų | 49 | 40.2 Ų | 40.2 | 23% | 0.229 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.9 | -47.3 | 179.7 | -166.3 | 69.1 | -122.1 | 0 | 0 | 110.8 | L417 L420 K421 S452 I453 R454 S458 S459 A460 | L417-E456 HydrophobicContact CD1-CB 3.94Å; L417-E456 HydrophobicContact CD1-CG 4.27Å; L420-E456 HydrophobicContact CD2-CB 3.85Å; L420-E456 HydrophobicContact CD2-CG 4.16Å; L420-E456 HydrophobicContact CG-CB 4.3Å; L420-E456 HydrophobicContact CG-CG 4.05Å; K421-E456 WeakPolarHBondContact CE-OE2 3.21Å; K421-E456 HydrophobicContact CG-CG 3.82Å; S452-E456 PolarHBondContact O-N 3.08Å; S452-E456 VanDerWaalsContact O-N 3.11Å; I453-E456 PolarHBondContact O-N 3.48Å; R454-E456 PolarHBondContact O-N 2.95Å; E456-S458 PolarHBondContact O-N 2.74Å; E456-S459 CarbonylContact O-C 3.54Å; E456-S459 WeakPolarHBondContact O-CA 3.49Å; E456-S459 WeakPolarHBondContact O-CB 3.43Å; E456-S459 PolarHBondContact O-N 3.05Å; E456-S459 VanDerWaalsContact O-N 3.08Å; E456-A460 PolarHBondContact O-N 3.12Å |
| 457 | A | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L420 R445 I453 R454 S459 A460 L461 | L420-A457 HydrophobicContact CD1-CB 4.42Å; L420-A457 HydrophobicContact CD2-CB 4Å; R445-A457 VanDerWaalsContact C-CB 3.49Å; R445-A457 HydrophobicContact CB-CB 3.69Å; I453-A457 WeakPolarHBondContact O-CB 3.49Å; I453-A457 PolarHBondContact O-N 3.04Å; R454-A457 PolarHBondContact O-N 3.34Å; A457-S459 VanDerWaalsContact C-N 3.29Å; A457-S459 PolarHBondContact O-N 2.85Å; A457-A460 WeakPolarHBondContact O-CB 3.27Å; A457-A460 PolarHBondContact O-N 2.79Å; A457-L461 WeakPolarHBondContact O-CG 3.19Å; A457-L461 PolarHBondContact O-N 3.22Å |
| 458 | S | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.2 | -32.4 | 174.5 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | R454 E456 A462 L504 | R454-S458 WeakPolarHBondContact O-CB 3.3Å; R454-S458 PolarHBondContact O-N 2.97Å; R454-S458 PolarHBondContact O-OG 3.4Å; E456-S458 PolarHBondContact O-N 2.74Å; S458-A462 WeakPolarHBondContact O-CB 3.26Å; S458-A462 PolarHBondContact O-N 3.11Å; S458-L504 WeakPolarHBondContact O-CD1 3.2Å |
| 459 | S | 96 | Very high | 91.5 | Very high | 33 Ų | 33 | 33.4 Ų | 33.4 | 23% | 0.231 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71 | -33.7 | 174.9 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | K455 E456 A457 S463 | K455-S459 VanDerWaalsContact O-CB 3.27Å; K455-S459 WeakPolarHBondContact O-CB 3.43Å; K455-S459 PolarHBondContact O-N 3.17Å; K455-S459 PolarHBondContact O-OG 3.36Å; E456-S459 CarbonylContact O-C 3.54Å; E456-S459 WeakPolarHBondContact O-CA 3.49Å; E456-S459 WeakPolarHBondContact O-CB 3.43Å; E456-S459 PolarHBondContact O-N 3.05Å; E456-S459 VanDerWaalsContact O-N 3.08Å; A457-S459 VanDerWaalsContact C-N 3.29Å; A457-S459 PolarHBondContact O-N 2.85Å; S459-S463 WeakPolarHBondContact O-CB 3.44Å; S459-S463 PolarHBondContact O-N 3.39Å; S459-S463 PolarHBondContact O-OG 3Å |
| 460 | A | 94.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.5 | -53.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T424 L442 E456 A457 A462 S463 L464 | T424-A460 HydrophobicContact CG2-CB 3.59Å; T424-A460 WeakPolarHBondContact OG1-CB 3.19Å; L442-A460 HydrophobicContact CD1-CB 3.97Å; L442-A460 HydrophobicContact CD2-CB 3.68Å; L442-A460 HydrophobicContact CG-CB 4.47Å; E456-A460 PolarHBondContact O-N 3.12Å; A457-A460 WeakPolarHBondContact O-CB 3.27Å; A457-A460 PolarHBondContact O-N 2.79Å; A460-A462 VanDerWaalsContact C-N 3.27Å; A460-A462 PolarHBondContact O-N 2.87Å; A460-S463 WeakPolarHBondContact O-CA 3.38Å; A460-S463 VanDerWaalsContact O-CB 3.27Å; A460-S463 WeakPolarHBondContact O-CB 3.47Å; A460-S463 PolarHBondContact O-N 2.85Å; A460-L464 PolarHBondContact O-N 2.78Å |
| 461 | L | 95.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.3 | -41.1 | 174.8 | -70.1 | 172.2 | 0 | 0 | 0 | 112.1 | F439 L442 K443 A457 S463 L464 Y465 A482 T485 I486 | F439-L461 HydrophobicContact CD2-CD2 4.28Å; F439-L461 HydrophobicContact CE2-CD2 3.86Å; F439-L461 HydrophobicContact CZ-CD2 4.35Å; L442-L461 HydrophobicContact CB-CD2 3.72Å; L442-L461 HydrophobicContact CB-CG 3.97Å; L442-L461 HydrophobicContact CD1-CD2 4.22Å; K443-L461 HydrophobicContact CG-CD1 4.45Å; K443-L461 HydrophobicContact CG-CD2 4.35Å; A457-L461 WeakPolarHBondContact O-CG 3.19Å; A457-L461 PolarHBondContact O-N 3.22Å; L461-S463 VanDerWaalsContact C-N 3.34Å; L461-L464 PolarHBondContact O-N 3.37Å; L461-Y465 PolarHBondContact O-N 3.41Å; L461-A482 HydrophobicContact CB-CB 4.32Å; L461-A482 HydrophobicContact CD2-CB 4.21Å; L461-T485 HydrophobicContact CD1-CG2 3.88Å; L461-I486 HydrophobicContact CB-CD1 3.95Å; L461-I486 HydrophobicContact CB-CG1 4.15Å |
| 462 | A | 94.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.5 | -30.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | S458 A460 K466 I486 L504 | S458-A462 WeakPolarHBondContact O-CB 3.26Å; S458-A462 PolarHBondContact O-N 3.11Å; A460-A462 VanDerWaalsContact C-N 3.27Å; A460-A462 PolarHBondContact O-N 2.87Å; A462-K466 WeakPolarHBondContact O-CB 3.29Å; A462-K466 PolarHBondContact O-N 3.07Å; A462-I486 HydrophobicContact CB-CD1 3.88Å; A462-L504 HydrophobicContact CB-CB 4.24Å; A462-L504 HydrophobicContact CB-CD1 4.15Å; A462-L504 HydrophobicContact CB-CD2 3.78Å; A462-L504 HydrophobicContact CB-CG 4.27Å |
| 463 | S | 91.1 | Very high | 87.3 | Confident | 42 Ų | 42 | 34.3 Ų | 34.3 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.5 | -44 | 171.7 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | K428 S459 A460 L461 K466 G467 | K428-S463 PolarHBondContact NZ-OG 2.98Å; S459-S463 WeakPolarHBondContact O-CB 3.44Å; S459-S463 PolarHBondContact O-N 3.39Å; S459-S463 PolarHBondContact O-OG 3Å; A460-S463 WeakPolarHBondContact O-CA 3.38Å; A460-S463 VanDerWaalsContact O-CB 3.27Å; A460-S463 WeakPolarHBondContact O-CB 3.47Å; A460-S463 PolarHBondContact O-N 2.85Å; L461-S463 VanDerWaalsContact C-N 3.34Å; S463-K466 PolarHBondContact O-N 2.56Å; S463-G467 PolarHBondContact O-N 3.3Å |
| 464 | L | 89.6 | Confident | 86.3 | Confident | 10 Ų | 10 | 34.5 Ų | 34.5 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.2 | -47.6 | 176.8 | -63.8 | -178.8 | 0 | 0 | 0 | 111.6 | I427 V434 F439 L442 A460 L461 K466 G467 G468 W473 L474 | I427-L464 HydrophobicContact CG2-CD2 3.76Å; V434-L464 HydrophobicContact CG1-CD1 4.42Å; V434-L464 HydrophobicContact CG2-CD1 4.2Å; V434-L464 HydrophobicContact CG2-CD2 3.86Å; F439-L464 HydrophobicContact CD2-CD1 4.09Å; F439-L464 HydrophobicContact CE2-CD1 4.4Å; L442-L464 HydrophobicContact CD1-CD1 3.84Å; A460-L464 PolarHBondContact O-N 2.78Å; L461-L464 PolarHBondContact O-N 3.37Å; L464-K466 VanDerWaalsContact C-N 3.32Å; L464-K466 PolarHBondContact O-N 2.79Å; L464-G467 PolarHBondContact O-N 2.85Å; L464-G468 PolarHBondContact O-N 3.42Å; L464-W473 HydrophobicContact CD2-CH2 4.16Å; L464-W473 HydrophobicContact CD2-CZ2 4.07Å; L464-L474 HydrophobicContact CB-CD2 4.23Å |
| 465 | Y | 91.2 | Very high | 85.7 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.5 | -45.2 | 174.9 | -177.3 | -89.9 | 0 | 0 | 0 | 111.7 | L461 G467 G468 L469 S479 L483 I509 C526 L529 | L461-Y465 PolarHBondContact O-N 3.41Å; Y465-G467 PolarHBondContact O-N 3Å; Y465-G468 PolarHBondContact O-N 3.12Å; Y465-L469 HydrophobicContact CE1-CD1 4.13Å; Y465-L469 PolarHBondContact O-N 2.86Å; Y465-S479 WeakPolarHBondContact CD2-O 3.4Å; Y465-L483 HydrophobicContact CD2-CB 4.03Å; Y465-L483 HydrophobicContact CE2-CB 3.88Å; Y465-L483 HydrophobicContact CE2-CD1 4.43Å; Y465-L483 HydrophobicContact CE2-CD2 4Å; Y465-L483 HydrophobicContact CE2-CG 4.34Å; Y465-I509 HydrophobicContact CD1-CG1 4.33Å; Y465-I509 HydrophobicContact CE1-CB 4.29Å; Y465-I509 HydrophobicContact CE1-CG1 4.49Å; Y465-I509 HydrophobicContact CE1-CG2 3.9Å; Y465-C526 WeakPolarHBondContact OH-CA 3.35Å; Y465-C526 WeakPolarHBondContact OH-CB 3.28Å; Y465-L529 HydrophobicContact CE2-CD1 4.21Å |
| 466 | K | 88.5 | Confident | 85 | Confident | 40 Ų | 40 | 32 Ų | 32 | 17% | 0.174 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 177.3 | -169.5 | 178.7 | -171.6 | 162.3 | 0 | 112 | A462 S463 L464 L469 Q470 S507 H513 | A462-K466 WeakPolarHBondContact O-CB 3.29Å; A462-K466 PolarHBondContact O-N 3.07Å; S463-K466 PolarHBondContact O-N 2.56Å; L464-K466 VanDerWaalsContact C-N 3.32Å; L464-K466 PolarHBondContact O-N 2.79Å; K466-L469 VanDerWaalsContact O-CB 3.27Å; K466-L469 WeakPolarHBondContact O-CB 3.39Å; K466-L469 PolarHBondContact O-N 3.17Å; K466-L469 VanDerWaalsContact O-N 3.16Å; K466-Q470 WeakPolarHBondContact O-CG 2.97Å; K466-Q470 PolarHBondContact O-N 2.85Å; K466-S507 PolarHBondContact NZ-O 2.89Å; K466-S507 VanDerWaalsContact NZ-O 3.08Å; K466-H513 PolarHBondContact NZ-NE2 3.12Å |
| 467 | G | 80.9 | Confident | 84.5 | Confident | 18 Ų | 18 | 34.2 Ų | 34.2 | 19% | 0.186 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -48.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S463 L464 Y465 L469 Q470 S471 | S463-G467 PolarHBondContact O-N 3.3Å; L464-G467 PolarHBondContact O-N 2.85Å; Y465-G467 PolarHBondContact O-N 3Å; G467-L469 PolarHBondContact O-N 2.94Å; G467-Q470 PolarHBondContact O-N 2.9Å; G467-S471 PolarHBondContact O-N 3.4Å; G467-S471 PolarHBondContact O-OG 2.88Å |
| 468 | G | 77 | Confident | 84.2 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.4 | -27.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | L464 Y465 G472 R525 | L464-G468 PolarHBondContact O-N 3.42Å; Y465-G468 PolarHBondContact O-N 3.12Å; G468-G472 WeakPolarHBondContact O-CA 3.27Å; G468-G472 PolarHBondContact O-N 3.5Å; G468-R525 PolarHBondContact O-NH2 3.06Å |
| 469 | L | 74.1 | Confident | 83.8 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.4 | -38.3 | 172.5 | -151.8 | 83.8 | 0 | 0 | 0 | 112.2 | Y465 K466 G467 A522 R525 | Y465-L469 HydrophobicContact CE1-CD1 4.13Å; Y465-L469 PolarHBondContact O-N 2.86Å; K466-L469 VanDerWaalsContact O-CB 3.27Å; K466-L469 WeakPolarHBondContact O-CB 3.39Å; K466-L469 PolarHBondContact O-N 3.17Å; K466-L469 VanDerWaalsContact O-N 3.16Å; G467-L469 PolarHBondContact O-N 2.94Å; L469-A522 HydrophobicContact CD2-CB 4.07Å; L469-R525 HydrophobicContact CD1-CG 4.24Å; L469-R525 PolarHBondContact O-NH1 3.17Å |
| 470 | Q | 74.2 | Confident | 83.6 | Confident | 132 Ų | 132 | 34.8 Ų | 34.8 | 62% | 0.617 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -90.1 | -42.4 | -171.9 | -65.8 | -176.3 | -85.7 | 0 | 0 | 114.3 | K466 G467 | K466-Q470 WeakPolarHBondContact O-CG 2.97Å; K466-Q470 PolarHBondContact O-N 2.85Å; G467-Q470 PolarHBondContact O-N 2.9Å |
| 471 | S | 69.6 | Low | 83.6 | Confident | 89 Ų | 89 | 36.3 Ų | 36.3 | 62% | 0.622 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -114.9 | -2 | -176.6 | 57.5 | 0 | 0 | 0 | 0 | 114.5 | G467 W473 | G467-S471 PolarHBondContact O-N 3.4Å; G467-S471 PolarHBondContact O-OG 2.88Å; S471-W473 PolarHBondContact O-N 3.26Å |
| 472 | G | 68.2 | Low | 83.5 | Confident | 51 Ų | 51 | 36.3 Ų | 36.3 | 53% | 0.526 | 23% | 0.231 | S | C | . | . | trans | 74.1 | -10 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | G468 L474 | G468-G472 WeakPolarHBondContact O-CA 3.27Å; G468-G472 PolarHBondContact O-N 3.5Å; G472-L474 VanDerWaalsContact C-N 3.25Å; G472-L474 PolarHBondContact O-N 3.05Å; G472-L474 VanDerWaalsContact O-N 3.15Å | ||
| 473 | W | 72.6 | Confident | 83.5 | Confident | 74 Ų | 74 | 36.3 Ų | 36.3 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | trans | -58.7 | -23.8 | -175.6 | 75.2 | -62.2 | 0 | 0 | 0 | 116.1 | N432 V434 L464 S471 | N432-W473 WeakPolarHBondContact O-CZ3 3.38Å; V434-W473 HydrophobicContact CG2-CH2 3.43Å; V434-W473 VanDerWaalsContact CG2-CH2 3.43Å; V434-W473 HydrophobicContact CG2-CZ2 4.38Å; V434-W473 HydrophobicContact CG2-CZ3 3.7Å; L464-W473 HydrophobicContact CD2-CH2 4.16Å; L464-W473 HydrophobicContact CD2-CZ2 4.07Å; S471-W473 PolarHBondContact O-N 3.26Å | ||
| 474 | L | 76 | Confident | 83.8 | Confident | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -89.2 | 119.5 | -179.5 | -167.2 | 71.5 | 0 | 0 | 0 | 110.2 | L464 G472 K478 S479 | L464-L474 HydrophobicContact CB-CD2 4.23Å; G472-L474 VanDerWaalsContact C-N 3.25Å; G472-L474 PolarHBondContact O-N 3.05Å; G472-L474 VanDerWaalsContact O-N 3.15Å; L474-K478 HydrophobicContact CD1-CB 3.73Å; L474-K478 HydrophobicContact CD1-CD 4.02Å; L474-K478 HydrophobicContact CD1-CG 4.48Å; L474-K478 HydrophobicContact CD2-CB 4.36Å; L474-K478 HydrophobicContact CG-CB 3.84Å; L474-S479 PolarHBondContact O-OG 3.43Å |
| 475 | S | 81.9 | Confident | 84.1 | Confident | 47 Ų | 47 | 35.4 Ų | 35.4 | 33% | 0.329 | 22% | 0.223 | S | C | . | . | trans | -52.4 | 151.8 | -179.8 | 79.5 | 0 | 0 | 0 | 0 | 113.1 | S477 K478 S479 | S475-S477 PolarHBondContact O-N 3.15Å; S475-K478 PolarHBondContact O-N 3.29Å; S475-K478 PolarHBondContact OG-N 3.29Å; S475-S479 WeakPolarHBondContact O-CB 3.48Å; S475-S479 PolarHBondContact O-N 3.36Å; S475-S479 PolarHBondContact O-OG 3.02Å | ||
| 476 | A | 80.5 | Confident | 84.4 | Confident | 48 Ų | 48 | 35.3 Ų | 35.3 | 40% | 0.397 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.3 | -35.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S479 A480 | A476-S479 PolarHBondContact O-N 2.95Å; A476-A480 WeakPolarHBondContact O-CB 3.24Å; A476-A480 PolarHBondContact O-N 3.26Å |
| 477 | S | 86.6 | Confident | 84.8 | Confident | 95 Ų | 95 | 33.4 Ų | 33.4 | 66% | 0.664 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -65.5 | -50.6 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | S475 S479 A480 S481 | S475-S477 PolarHBondContact O-N 3.15Å; S477-S479 VanDerWaalsContact C-N 3.29Å; S477-S479 PolarHBondContact O-N 3.07Å; S477-A480 PolarHBondContact O-N 3.06Å; S477-S481 VanDerWaalsContact O-CB 3.22Å; S477-S481 WeakPolarHBondContact O-CB 3.25Å; S477-S481 PolarHBondContact O-N 3.19Å |
| 478 | K | 89.3 | Confident | 85.5 | Confident | 23 Ų | 23 | 35 Ų | 35 | 10% | 0.1 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -39.8 | 174.9 | -72.4 | 177.3 | 179.8 | 174.5 | 0 | 111.1 | E433 V434 D436 F439 L474 S475 S481 A482 | E433-K478 IonicContact OE2-NZ 3.82Å; E433-K478 PolarHBondContact OE2-NZ 3.48Å; V434-K478 PolarHBondContact O-NZ 3.45Å; D436-K478 WeakPolarHBondContact OD1-CE 3.32Å; D436-K478 IonicContact OD1-NZ 2.73Å; D436-K478 PolarHBondContact OD1-NZ 3.11Å; F439-K478 HydrophobicContact CD1-CG 4.39Å; F439-K478 HydrophobicContact CE1-CB 4.35Å; F439-K478 HydrophobicContact CE1-CG 4.25Å; F439-K478 HydrophobicContact CE2-CB 4.29Å; F439-K478 HydrophobicContact CZ-CB 4.06Å; F439-K478 HydrophobicContact CZ-CG 4.43Å; F439-K478 VanDerWaalsContact CZ-O 3.24Å; F439-K478 WeakPolarHBondContact CZ-O 3.43Å; L474-K478 HydrophobicContact CD1-CB 3.73Å; L474-K478 HydrophobicContact CD1-CD 4.02Å; L474-K478 HydrophobicContact CD1-CG 4.48Å; L474-K478 HydrophobicContact CD2-CB 4.36Å; L474-K478 HydrophobicContact CG-CB 3.84Å; S475-K478 PolarHBondContact O-N 3.29Å; S475-K478 PolarHBondContact OG-N 3.29Å; K478-S481 PolarHBondContact O-N 2.88Å; K478-A482 WeakPolarHBondContact O-CB 3.36Å; K478-A482 PolarHBondContact O-N 2.98Å |
| 479 | S | 89.1 | Confident | 86.3 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 175.7 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | Y465 L474 S475 A476 S477 L483 | Y465-S479 WeakPolarHBondContact CD2-O 3.4Å; L474-S479 PolarHBondContact O-OG 3.43Å; S475-S479 WeakPolarHBondContact O-CB 3.48Å; S475-S479 PolarHBondContact O-N 3.36Å; S475-S479 PolarHBondContact O-OG 3.02Å; A476-S479 PolarHBondContact O-N 2.95Å; S477-S479 VanDerWaalsContact C-N 3.29Å; S477-S479 PolarHBondContact O-N 3.07Å; S479-L483 WeakPolarHBondContact O-CB 3.36Å; S479-L483 PolarHBondContact O-N 3.21Å; S479-L483 VanDerWaalsContact O-N 3.08Å |
| 480 | A | 91.5 | Very high | 87.3 | Confident | 19 Ų | 19 | 34.3 Ų | 34.3 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.4 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A476 S477 A482 L483 N484 L529 | A476-A480 WeakPolarHBondContact O-CB 3.24Å; A476-A480 PolarHBondContact O-N 3.26Å; S477-A480 PolarHBondContact O-N 3.06Å; A480-A482 PolarHBondContact O-N 3.44Å; A480-L483 PolarHBondContact O-N 2.86Å; A480-N484 WeakPolarHBondContact O-CB 3.43Å; A480-N484 PolarHBondContact O-N 3.24Å; A480-N484 PolarHBondContact O-ND2 3.27Å; A480-L529 HydrophobicContact CB-CB 4.07Å; A480-L529 HydrophobicContact CB-CD2 4.18Å |
| 481 | S | 93.5 | Very high | 88.2 | Confident | 35 Ų | 35 | 34 Ų | 34 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | -179.5 | -169.2 | 0 | 0 | 0 | 0 | 112 | K443 S477 K478 T485 | K443-S481 WeakPolarHBondContact CD-OG 3.14Å; K443-S481 WeakPolarHBondContact CE-OG 3.45Å; S477-S481 VanDerWaalsContact O-CB 3.22Å; S477-S481 WeakPolarHBondContact O-CB 3.25Å; S477-S481 PolarHBondContact O-N 3.19Å; K478-S481 PolarHBondContact O-N 2.88Å; S481-T485 WeakPolarHBondContact O-CB 3.27Å; S481-T485 PolarHBondContact O-N 3.48Å; S481-T485 PolarHBondContact O-OG1 3.25Å |
| 482 | A | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -49.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F439 L461 K478 A480 T485 I486 | F439-A482 HydrophobicContact CE2-CB 4.09Å; F439-A482 HydrophobicContact CZ-CB 3.99Å; L461-A482 HydrophobicContact CB-CB 4.32Å; L461-A482 HydrophobicContact CD2-CB 4.21Å; K478-A482 WeakPolarHBondContact O-CB 3.36Å; K478-A482 PolarHBondContact O-N 2.98Å; A480-A482 PolarHBondContact O-N 3.44Å; A482-T485 PolarHBondContact O-N 3.49Å; A482-I486 WeakPolarHBondContact O-CD1 2.82Å; A482-I486 VanDerWaalsContact O-CG1 3.27Å; A482-I486 WeakPolarHBondContact O-CG1 3.29Å; A482-I486 PolarHBondContact O-N 2.84Å |
| 483 | L | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -50.6 | -178.9 | 177 | 61.2 | 0 | 0 | 0 | 112.4 | Y465 S479 A480 I486 L487 I509 C526 L529 M530 | Y465-L483 HydrophobicContact CD2-CB 4.03Å; Y465-L483 HydrophobicContact CE2-CB 3.88Å; Y465-L483 HydrophobicContact CE2-CD1 4.43Å; Y465-L483 HydrophobicContact CE2-CD2 4Å; Y465-L483 HydrophobicContact CE2-CG 4.34Å; S479-L483 WeakPolarHBondContact O-CB 3.36Å; S479-L483 PolarHBondContact O-N 3.21Å; S479-L483 VanDerWaalsContact O-N 3.08Å; A480-L483 PolarHBondContact O-N 2.86Å; L483-I486 PolarHBondContact O-N 3.26Å; L483-L487 HydrophobicContact CD1-CD1 3.77Å; L483-L487 HydrophobicContact CD1-CG 4.3Å; L483-L487 HydrophobicContact CG-CD1 4.02Å; L483-L487 WeakPolarHBondContact O-CG 3.3Å; L483-L487 PolarHBondContact O-N 3.45Å; L483-I509 HydrophobicContact CD1-CD1 3.73Å; L483-I509 HydrophobicContact CD1-CG1 4.11Å; L483-I509 HydrophobicContact CD1-CG2 3.66Å; L483-C526 HydrophobicContact CD1-CB 4.35Å; L483-C526 HydrophobicContact CD2-CB 3.75Å; L483-C526 WeakPolarHBondContact CD2-O 3.26Å; L483-L529 HydrophobicContact CD2-CB 3.96Å; L483-M530 HydrophobicContact CD2-CG 3.84Å; L483-M530 HydrophobicContact CG-CG 4.24Å |
| 484 | N | 96.4 | Very high | 90.7 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 11% | 0.107 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 179.7 | -67.9 | -46.9 | 0 | 0 | 0 | 110.7 | A480 I486 L487 H488 L529 M530 D531 S534 | A480-N484 WeakPolarHBondContact O-CB 3.43Å; A480-N484 PolarHBondContact O-N 3.24Å; A480-N484 PolarHBondContact O-ND2 3.27Å; N484-I486 VanDerWaalsContact C-N 3.33Å; N484-I486 PolarHBondContact O-N 3.41Å; N484-L487 PolarHBondContact O-N 3.21Å; N484-H488 VanDerWaalsContact O-CB 3.3Å; N484-H488 WeakPolarHBondContact O-CB 3.47Å; N484-H488 PolarHBondContact O-CD2 2.97Å; N484-H488 PolarHBondContact O-N 3.02Å; N484-L529 PolarHBondContact ND2-O 2.69Å; N484-M530 VanDerWaalsContact OD1-CA 3.28Å; N484-M530 WeakPolarHBondContact OD1-CA 3.36Å; N484-D531 PolarHBondContact OD1-N 3.13Å; N484-D531 PolarHBondContact OD1-OD1 2.84Å; N484-S534 VanDerWaalsContact OD1-CB 3.32Å; N484-S534 WeakPolarHBondContact OD1-CB 3.29Å; N484-S534 PolarHBondContact OD1-OG 2.99Å |
| 485 | T | 96.6 | Very high | 91.3 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.8 | -41.8 | 174.6 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | K443 S446 L461 S481 A482 | K443-T485 HydrophobicContact CB-CG2 4.45Å; K443-T485 HydrophobicContact CG-CG2 4.29Å; S446-T485 WeakPolarHBondContact OG-CG2 3.32Å; L461-T485 HydrophobicContact CD1-CG2 3.88Å; S481-T485 WeakPolarHBondContact O-CB 3.27Å; S481-T485 PolarHBondContact O-N 3.48Å; S481-T485 PolarHBondContact O-OG1 3.25Å; A482-T485 PolarHBondContact O-N 3.49Å |
| 486 | I | 97 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.7 | -45.6 | 175.8 | -65 | 157.2 | 0 | 0 | 0 | 111.1 | L461 A462 A482 L483 N484 L489 V501 L504 I509 | L461-I486 HydrophobicContact CB-CD1 3.95Å; L461-I486 HydrophobicContact CB-CG1 4.15Å; A462-I486 HydrophobicContact CB-CD1 3.88Å; A482-I486 WeakPolarHBondContact O-CD1 2.82Å; A482-I486 VanDerWaalsContact O-CG1 3.27Å; A482-I486 WeakPolarHBondContact O-CG1 3.29Å; A482-I486 PolarHBondContact O-N 2.84Å; L483-I486 PolarHBondContact O-N 3.26Å; N484-I486 VanDerWaalsContact C-N 3.33Å; N484-I486 PolarHBondContact O-N 3.41Å; I486-L489 VanDerWaalsContact O-CB 3.31Å; I486-L489 WeakPolarHBondContact O-CB 3.23Å; I486-L489 PolarHBondContact O-N 3.47Å; I486-V501 HydrophobicContact CG2-CG1 4.42Å; I486-V501 VanDerWaalsContact O-CG2 3.22Å; I486-V501 WeakPolarHBondContact O-CG2 3.47Å; I486-L504 HydrophobicContact CG2-CB 4.46Å; I486-L504 HydrophobicContact CG2-CD1 4.16Å; I486-I509 HydrophobicContact CG2-CD1 4.26Å |
| 487 | L | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.9 | -31.8 | -178 | -69.8 | 171 | 0 | 0 | 0 | 112.6 | L483 N484 L489 Y490 V501 M530 A537 M538 I541 | L483-L487 HydrophobicContact CD1-CD1 3.77Å; L483-L487 HydrophobicContact CD1-CG 4.3Å; L483-L487 HydrophobicContact CG-CD1 4.02Å; L483-L487 WeakPolarHBondContact O-CG 3.3Å; L483-L487 PolarHBondContact O-N 3.45Å; N484-L487 PolarHBondContact O-N 3.21Å; L487-L489 PolarHBondContact O-N 3.37Å; L487-Y490 VanDerWaalsContact O-CB 3.3Å; L487-Y490 WeakPolarHBondContact O-CB 3.44Å; L487-Y490 PolarHBondContact O-N 3.42Å; L487-Y490 VanDerWaalsContact O-N 3.1Å; L487-V501 HydrophobicContact CD2-CG1 4.02Å; L487-M530 HydrophobicContact CD1-CE 4.15Å; L487-M530 HydrophobicContact CD1-CG 3.73Å; L487-M530 HydrophobicContact CD1-SD 3.8Å; L487-A537 HydrophobicContact CB-CB 4.49Å; L487-M538 HydrophobicContact CD1-CE 4.13Å; L487-M538 HydrophobicContact CD2-CE 4.17Å; L487-I541 HydrophobicContact CD2-CD1 4.11Å |
| 488 | H | 95.8 | Very high | 92.7 | Very high | 53 Ų | 53 | 33.6 Ų | 33.6 | 25% | 0.245 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.8 | -27.3 | 173.3 | -73.8 | -166.9 | 0 | 0 | 0 | 112.6 | N484 Y490 Y491 D531 S534 | N484-H488 VanDerWaalsContact O-CB 3.3Å; N484-H488 WeakPolarHBondContact O-CB 3.47Å; N484-H488 PolarHBondContact O-CD2 2.97Å; N484-H488 PolarHBondContact O-N 3.02Å; H488-Y490 PolarHBondContact O-N 2.87Å; H488-Y491 WeakPolarHBondContact O-CD2 3.44Å; H488-Y491 PolarHBondContact O-N 3.28Å; H488-Y491 VanDerWaalsContact O-N 3.14Å; H488-D531 IonicContact CD2-OD1 3.78Å; H488-D531 IonicContact CE1-OD2 3.26Å; H488-D531 PolarHBondContact CE1-OD2 2.98Å; H488-D531 VanDerWaalsContact CE1-OD2 3.26Å; H488-D531 IonicContact NE2-OD1 2.66Å; H488-D531 PolarHBondContact NE2-OD1 3.43Å; H488-D531 VanDerWaalsContact NE2-OD1 3.16Å; H488-D531 IonicContact NE2-OD2 2.71Å; H488-D531 PolarHBondContact NE2-OD2 2.92Å; H488-S534 PolarHBondContact CD2-OG 3.44Å; H488-S534 VanDerWaalsContact CD2-OG 3.28Å; H488-S534 PolarHBondContact NE2-OG 2.75Å |
| 489 | L | 94.1 | Very high | 92.9 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -61.4 | -23.4 | 175.3 | -173.9 | 65.6 | 0 | 0 | 0 | 112.4 | I486 L487 Y491 Q492 D497 V501 | I486-L489 VanDerWaalsContact O-CB 3.31Å; I486-L489 WeakPolarHBondContact O-CB 3.23Å; I486-L489 PolarHBondContact O-N 3.47Å; L487-L489 PolarHBondContact O-N 3.37Å; L489-Y491 PolarHBondContact O-N 3.24Å; L489-Q492 HydrophobicContact CD1-CG 3.82Å; L489-Q492 WeakPolarHBondContact O-CB 3.48Å; L489-Q492 WeakPolarHBondContact O-CG 3.44Å; L489-Q492 PolarHBondContact O-N 3.41Å; L489-Q492 VanDerWaalsContact O-N 3.07Å; L489-D497 HydrophobicContact CD1-CB 4.33Å; L489-D497 HydrophobicContact CD2-CB 4.5Å; L489-D497 HydrophobicContact CG-CB 4.15Å; L489-V501 HydrophobicContact CB-CG2 3.81Å; L489-V501 HydrophobicContact CD2-CG2 4.08Å; L489-V501 HydrophobicContact CG-CG2 4.15Å |
| 490 | Y | 95.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -66 | -16.3 | 176.9 | -154.8 | -96.3 | 0 | 0 | 0 | 113.7 | L487 H488 Q492 K498 V501 E502 E540 I541 T544 R664 | L487-Y490 VanDerWaalsContact O-CB 3.3Å; L487-Y490 WeakPolarHBondContact O-CB 3.44Å; L487-Y490 PolarHBondContact O-N 3.42Å; L487-Y490 VanDerWaalsContact O-N 3.1Å; H488-Y490 PolarHBondContact O-N 2.87Å; Y490-Q492 PolarHBondContact O-N 2.87Å; Y490-K498 HydrophobicContact CD1-CG 4.3Å; Y490-K498 HydrophobicContact CD2-CB 3.81Å; Y490-K498 HydrophobicContact CD2-CG 3.68Å; Y490-K498 HydrophobicContact CE1-CD 4.2Å; Y490-K498 HydrophobicContact CE1-CG 4.26Å; Y490-K498 HydrophobicContact CE2-CB 3.46Å; Y490-K498 VanDerWaalsContact CE2-CB 3.46Å; Y490-K498 HydrophobicContact CE2-CD 4.29Å; Y490-K498 HydrophobicContact CE2-CG 3.64Å; Y490-K498 HydrophobicContact CG-CG 4.03Å; Y490-K498 WeakPolarHBondContact O-CE 3.35Å; Y490-V501 HydrophobicContact CD2-CB 4.05Å; Y490-V501 HydrophobicContact CD2-CG1 4.16Å; Y490-E502 HydrophobicContact CE2-CG 4.11Å; Y490-E502 PolarHBondContact OH-OE1 3.41Å; Y490-E540 HydrophobicContact CE1-CB 4.2Å; Y490-E540 HydrophobicContact CE1-CG 4.01Å; Y490-I541 HydrophobicContact CD1-CG1 4.03Å; Y490-I541 HydrophobicContact CD2-CD1 3.9Å; Y490-I541 HydrophobicContact CD2-CG1 3.57Å; Y490-I541 HydrophobicContact CE1-CG1 3.84Å; Y490-I541 HydrophobicContact CE2-CD1 4.15Å; Y490-I541 HydrophobicContact CE2-CG1 3.35Å; Y490-I541 HydrophobicContact CG-CD1 4.2Å; Y490-I541 HydrophobicContact CG-CG1 3.91Å; Y490-I541 VanDerWaalsContact CZ-CG1 3.48Å; Y490-T544 WeakPolarHBondContact OH-CB 3.44Å; Y490-T544 PolarHBondContact OH-OG1 2.69Å; Y490-R664 PolarHBondContact OH-NH2 3.02Å |
| 491 | Y | 93.1 | Very high | 93.4 | Very high | 125 Ų | 125 | 32.2 Ų | 32.2 | 49% | 0.49 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -74.3 | -8.9 | 172.7 | -72 | -75.8 | 0 | 0 | 0 | 113.7 | H488 L489 A533 K536 A537 | H488-Y491 WeakPolarHBondContact O-CD2 3.44Å; H488-Y491 PolarHBondContact O-N 3.28Å; H488-Y491 VanDerWaalsContact O-N 3.14Å; L489-Y491 PolarHBondContact O-N 3.24Å; Y491-A533 HydrophobicContact CE2-CB 4.33Å; Y491-A533 WeakPolarHBondContact CE2-O 3.21Å; Y491-A533 PolarHBondContact OH-O 3.49Å; Y491-K536 WeakPolarHBondContact OH-CB 3.34Å; Y491-A537 HydrophobicContact CE2-CB 4.03Å |
| 492 | Q | 89.8 | Confident | 93.4 | Very high | 89 Ų | 89 | 30.8 Ų | 30.8 | 42% | 0.416 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -65.2 | 147.7 | 174.6 | -67.7 | -62.3 | -14.4 | 0 | 0 | 112.2 | L489 Y490 S494 D497 K498 | L489-Q492 HydrophobicContact CD1-CG 3.82Å; L489-Q492 WeakPolarHBondContact O-CB 3.48Å; L489-Q492 WeakPolarHBondContact O-CG 3.44Å; L489-Q492 PolarHBondContact O-N 3.41Å; L489-Q492 VanDerWaalsContact O-N 3.07Å; Y490-Q492 PolarHBondContact O-N 2.87Å; Q492-S494 PolarHBondContact O-N 3.41Å; Q492-D497 HydrophobicContact CB-CB 4.05Å; Q492-K498 WeakPolarHBondContact O-CE 3.43Å; Q492-K498 PolarHBondContact O-NZ 2.96Å |
| 493 | N | 84.1 | Confident | 93.5 | Very high | 156 Ų | 156 | 35.3 Ų | 35.3 | 83% | 0.834 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -71 | -19.1 | 178 | -72.2 | -36.9 | 0 | 0 | 0 | 113.2 | ||
| 494 | S | 87.5 | Confident | 93.5 | Very high | 38 Ų | 38 | 35.9 Ų | 35.9 | 27% | 0.266 | 17% | 0.173 | S | C | . | . | trans | -70.8 | 131.1 | -179.5 | 164.1 | 0 | 0 | 0 | 0 | 112.6 | Q492 D496 D497 K498 | Q492-S494 PolarHBondContact O-N 3.41Å; S494-D496 PolarHBondContact OG-N 3.3Å; S494-D497 WeakPolarHBondContact CB-OD2 3.39Å; S494-D497 PolarHBondContact OG-N 3.31Å; S494-D497 PolarHBondContact OG-OD2 3.28Å; S494-K498 PolarHBondContact O-N 2.96Å | ||
| 495 | T | 89.8 | Confident | 93.4 | Very high | 29 Ų | 29 | 34.9 Ų | 34.9 | 18% | 0.178 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.5 | -32.8 | 174.9 | -48.5 | 0 | 0 | 0 | 0 | 111.8 | K498 L499 | T495-K498 PolarHBondContact O-N 2.86Å; T495-L499 HydrophobicContact CG2-CD1 4.14Å; T495-L499 HydrophobicContact CG2-CG 4.5Å; T495-L499 VanDerWaalsContact O-CG 3.29Å; T495-L499 WeakPolarHBondContact O-CG 3.39Å; T495-L499 PolarHBondContact O-N 3.44Å |
| 496 | D | 90.9 | Very high | 93.2 | Very high | 37 Ų | 37 | 35.3 Ų | 35.3 | 20% | 0.198 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.8 | -37.6 | 178.5 | -68.3 | -93.1 | 0 | 0 | 0 | 112.4 | L451 S494 L499 I500 P587 R656 | L451-D496 HydrophobicContact CD1-CB 4.02Å; L451-D496 HydrophobicContact CD2-CB 3.7Å; S494-D496 PolarHBondContact OG-N 3.3Å; D496-L499 PolarHBondContact O-N 3.29Å; D496-I500 VanDerWaalsContact O-CG1 3.29Å; D496-I500 WeakPolarHBondContact O-CG1 3.48Å; D496-I500 PolarHBondContact O-N 3.33Å; D496-P587 WeakPolarHBondContact OD1-CG 3.28Å; D496-P587 VanDerWaalsContact OD2-CB 3.29Å; D496-P587 WeakPolarHBondContact OD2-CB 3.39Å; D496-P587 WeakPolarHBondContact OD2-CG 3.49Å; D496-R656 IonicContact OD1-NH2 2.71Å |
| 497 | D | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 173.7 | -72.1 | -77.3 | 0 | 0 | 0 | 111.2 | R454 L489 Q492 S494 L499 I500 V501 | R454-D497 IonicContact CZ-OD1 2.71Å; R454-D497 IonicContact CZ-OD2 2.7Å; R454-D497 IonicContact NE-OD1 2.69Å; R454-D497 PolarHBondContact NE-OD1 2.88Å; R454-D497 IonicContact NE-OD2 3.69Å; R454-D497 IonicContact NH2-OD1 3.79Å; R454-D497 PolarHBondContact NH2-OD1 3.3Å; R454-D497 IonicContact NH2-OD2 3.46Å; R454-D497 PolarHBondContact NH2-OD2 3.05Å; L489-D497 HydrophobicContact CD1-CB 4.33Å; L489-D497 HydrophobicContact CD2-CB 4.5Å; L489-D497 HydrophobicContact CG-CB 4.15Å; Q492-D497 HydrophobicContact CB-CB 4.05Å; S494-D497 WeakPolarHBondContact CB-OD2 3.39Å; S494-D497 PolarHBondContact OG-N 3.31Å; S494-D497 PolarHBondContact OG-OD2 3.28Å; D497-L499 VanDerWaalsContact C-N 3.32Å; D497-L499 PolarHBondContact O-N 2.97Å; D497-I500 WeakPolarHBondContact O-CB 3.35Å; D497-I500 PolarHBondContact O-N 3.46Å; D497-V501 WeakPolarHBondContact O-CG2 3.35Å; D497-V501 PolarHBondContact O-N 3.05Å; D497-V501 VanDerWaalsContact O-N 3.1Å |
| 498 | K | 94.3 | Very high | 92.7 | Very high | 53 Ų | 53 | 38 Ų | 38 | 23% | 0.23 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 173.6 | -71.5 | 176.3 | 174 | 159.9 | 0 | 112.7 | Y490 Q492 S494 T495 V501 E502 | Y490-K498 HydrophobicContact CD1-CG 4.3Å; Y490-K498 HydrophobicContact CD2-CB 3.81Å; Y490-K498 HydrophobicContact CD2-CG 3.68Å; Y490-K498 HydrophobicContact CE1-CD 4.2Å; Y490-K498 HydrophobicContact CE1-CG 4.26Å; Y490-K498 HydrophobicContact CE2-CB 3.46Å; Y490-K498 VanDerWaalsContact CE2-CB 3.46Å; Y490-K498 HydrophobicContact CE2-CD 4.29Å; Y490-K498 HydrophobicContact CE2-CG 3.64Å; Y490-K498 HydrophobicContact CG-CG 4.03Å; Y490-K498 WeakPolarHBondContact O-CE 3.35Å; Q492-K498 WeakPolarHBondContact O-CE 3.43Å; Q492-K498 PolarHBondContact O-NZ 2.96Å; S494-K498 PolarHBondContact O-N 2.96Å; T495-K498 PolarHBondContact O-N 2.86Å; K498-V501 PolarHBondContact O-N 3.46Å; K498-E502 PolarHBondContact O-N 3.46Å |
| 499 | L | 93.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.7 | -31.1 | 176 | -74.3 | 166.3 | 0 | 0 | 0 | 113.3 | T495 D496 D497 R503 P587 I660 R664 | T495-L499 HydrophobicContact CG2-CD1 4.14Å; T495-L499 HydrophobicContact CG2-CG 4.5Å; T495-L499 VanDerWaalsContact O-CG 3.29Å; T495-L499 WeakPolarHBondContact O-CG 3.39Å; T495-L499 PolarHBondContact O-N 3.44Å; D496-L499 PolarHBondContact O-N 3.29Å; D497-L499 VanDerWaalsContact C-N 3.32Å; D497-L499 PolarHBondContact O-N 2.97Å; L499-R503 WeakPolarHBondContact O-CB 3.23Å; L499-R503 VanDerWaalsContact O-CG 3.25Å; L499-R503 WeakPolarHBondContact O-CG 3.43Å; L499-R503 PolarHBondContact O-N 2.92Å; L499-P587 HydrophobicContact CD1-CG 3.77Å; L499-I660 HydrophobicContact CD1-CG2 3.45Å; L499-I660 VanDerWaalsContact CD1-CG2 3.45Å; L499-I660 HydrophobicContact CD2-CG2 3.81Å; L499-I660 HydrophobicContact CG-CG2 4.3Å; L499-R664 HydrophobicContact CD2-CG 3.61Å |
| 500 | I | 94.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 6% | 0.062 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.2 | -51.5 | 171.2 | -70.7 | 158.9 | 0 | 0 | 0 | 109.1 | L451 K455 D496 D497 E502 R503 L504 | L451-I500 HydrophobicContact CD1-CD1 3.76Å; K455-I500 HydrophobicContact CB-CD1 3.64Å; K455-I500 HydrophobicContact CB-CG1 4.36Å; K455-I500 HydrophobicContact CD-CD1 4.48Å; K455-I500 HydrophobicContact CG-CD1 3.91Å; K455-I500 HydrophobicContact CG-CG1 4.09Å; D496-I500 VanDerWaalsContact O-CG1 3.29Å; D496-I500 WeakPolarHBondContact O-CG1 3.48Å; D496-I500 PolarHBondContact O-N 3.33Å; D497-I500 WeakPolarHBondContact O-CB 3.35Å; D497-I500 PolarHBondContact O-N 3.46Å; I500-E502 PolarHBondContact O-N 3.08Å; I500-R503 PolarHBondContact O-N 3.43Å; I500-L504 HydrophobicContact CG2-CD1 3.79Å; I500-L504 HydrophobicContact CG2-CG 4.33Å; I500-L504 VanDerWaalsContact O-CG 3.3Å; I500-L504 WeakPolarHBondContact O-CG 3.24Å; I500-L504 PolarHBondContact O-N 3.25Å |
| 501 | V | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 178.1 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | I486 L487 L489 Y490 D497 K498 R503 L504 L505 I541 | I486-V501 HydrophobicContact CG2-CG1 4.42Å; I486-V501 VanDerWaalsContact O-CG2 3.22Å; I486-V501 WeakPolarHBondContact O-CG2 3.47Å; L487-V501 HydrophobicContact CD2-CG1 4.02Å; L489-V501 HydrophobicContact CB-CG2 3.81Å; L489-V501 HydrophobicContact CD2-CG2 4.08Å; L489-V501 HydrophobicContact CG-CG2 4.15Å; Y490-V501 HydrophobicContact CD2-CB 4.05Å; Y490-V501 HydrophobicContact CD2-CG1 4.16Å; D497-V501 WeakPolarHBondContact O-CG2 3.35Å; D497-V501 PolarHBondContact O-N 3.05Å; D497-V501 VanDerWaalsContact O-N 3.1Å; K498-V501 PolarHBondContact O-N 3.46Å; V501-R503 VanDerWaalsContact C-N 3.33Å; V501-R503 PolarHBondContact O-N 3.45Å; V501-L504 PolarHBondContact O-N 3.49Å; V501-L505 WeakPolarHBondContact O-CB 3.32Å; V501-L505 PolarHBondContact O-N 3.27Å; V501-I541 HydrophobicContact CG1-CD1 3.91Å |
| 502 | E | 95.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.5 | -34.8 | 177.6 | -80.1 | 178 | -160.6 | 0 | 0 | 113.6 | Y490 K498 I500 K506 I541 R664 | Y490-E502 HydrophobicContact CE2-CG 4.11Å; Y490-E502 PolarHBondContact OH-OE1 3.41Å; K498-E502 PolarHBondContact O-N 3.46Å; I500-E502 PolarHBondContact O-N 3.08Å; E502-K506 WeakPolarHBondContact O-CD 3.34Å; E502-K506 WeakPolarHBondContact O-CG 3.33Å; E502-K506 PolarHBondContact O-N 3.25Å; E502-I541 HydrophobicContact CG-CG1 4.4Å; E502-I541 HydrophobicContact CG-CG2 3.93Å; E502-R664 IonicContact OE1-CZ 2.75Å; E502-R664 IonicContact OE1-NE 2.61Å; E502-R664 IonicContact OE1-NH2 2.73Å; E502-R664 PolarHBondContact OE1-NH2 3.44Å; E502-R664 IonicContact OE2-CZ 3.69Å; E502-R664 IonicContact OE2-NE 3.19Å; E502-R664 PolarHBondContact OE2-NE 2.94Å; E502-R664 IonicContact OE2-NH2 3.82Å |
| 503 | R | 94.3 | Very high | 91.8 | Very high | 95 Ų | 95 | 34.2 Ų | 34.2 | 36% | 0.358 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -70.7 | -45.1 | 174.1 | -75.2 | 172.2 | 179.5 | 139.6 | -1.6 | 111.5 | L499 I500 V501 L505 K506 S507 E663 | L499-R503 WeakPolarHBondContact O-CB 3.23Å; L499-R503 VanDerWaalsContact O-CG 3.25Å; L499-R503 WeakPolarHBondContact O-CG 3.43Å; L499-R503 PolarHBondContact O-N 2.92Å; I500-R503 PolarHBondContact O-N 3.43Å; V501-R503 VanDerWaalsContact C-N 3.33Å; V501-R503 PolarHBondContact O-N 3.45Å; R503-L505 VanDerWaalsContact C-N 3.31Å; R503-L505 PolarHBondContact O-N 3.3Å; R503-K506 CarbonylContact O-C 3.6Å; R503-K506 PolarHBondContact O-N 3.38Å; R503-K506 VanDerWaalsContact O-N 3.11Å; R503-S507 WeakPolarHBondContact O-CB 3.34Å; R503-S507 PolarHBondContact O-N 2.94Å; R503-S507 PolarHBondContact O-OG 2.99Å; R503-E663 IonicContact CZ-OE2 2.7Å; R503-E663 IonicContact NE-OE2 3.39Å; R503-E663 PolarHBondContact NE-OE2 3.12Å; R503-E663 IonicContact NH2-OE2 2.68Å; R503-E663 PolarHBondContact NH2-OE2 3.17Å |
| 504 | L | 95.1 | Very high | 91.9 | Very high | 12 Ų | 12 | 29 Ų | 29 | 6% | 0.063 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65 | -35.3 | 178.3 | -65.1 | 176.8 | 0 | 0 | 0 | 112.1 | S458 A462 I486 I500 V501 K506 S507 S508 I509 | S458-L504 WeakPolarHBondContact O-CD1 3.2Å; A462-L504 HydrophobicContact CB-CB 4.24Å; A462-L504 HydrophobicContact CB-CD1 4.15Å; A462-L504 HydrophobicContact CB-CD2 3.78Å; A462-L504 HydrophobicContact CB-CG 4.27Å; I486-L504 HydrophobicContact CG2-CB 4.46Å; I486-L504 HydrophobicContact CG2-CD1 4.16Å; I500-L504 HydrophobicContact CG2-CD1 3.79Å; I500-L504 HydrophobicContact CG2-CG 4.33Å; I500-L504 VanDerWaalsContact O-CG 3.3Å; I500-L504 WeakPolarHBondContact O-CG 3.24Å; I500-L504 PolarHBondContact O-N 3.25Å; V501-L504 PolarHBondContact O-N 3.49Å; L504-K506 VanDerWaalsContact C-N 3.35Å; L504-S507 PolarHBondContact O-N 3.28Å; L504-S508 WeakPolarHBondContact O-CA 3.16Å; L504-S508 WeakPolarHBondContact O-CB 3.45Å; L504-S508 PolarHBondContact O-N 3.46Å; L504-I509 PolarHBondContact O-N 2.88Å |
| 505 | L | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -56.5 | -49.2 | 169.4 | -178.9 | 62.4 | 0 | 0 | 0 | 111 | V501 R503 I509 I510 M538 I541 L669 | V501-L505 WeakPolarHBondContact O-CB 3.32Å; V501-L505 PolarHBondContact O-N 3.27Å; R503-L505 VanDerWaalsContact C-N 3.31Å; R503-L505 PolarHBondContact O-N 3.3Å; L505-I509 HydrophobicContact CD1-CB 4.12Å; L505-I509 HydrophobicContact CD1-CD1 4.41Å; L505-I509 HydrophobicContact CD1-CG2 4.19Å; L505-I510 HydrophobicContact CD1-CD1 3.84Å; L505-I510 HydrophobicContact CD1-CG1 4.08Å; L505-I510 CarbonylContact O-C 3.59Å; L505-I510 PolarHBondContact O-N 2.75Å; L505-M538 HydrophobicContact CD1-CE 3.86Å; L505-M538 HydrophobicContact CD1-SD 4.09Å; L505-M538 HydrophobicContact CD2-SD 3.9Å; L505-I541 HydrophobicContact CD2-CD1 4.47Å; L505-I541 HydrophobicContact CD2-CG2 3.92Å; L505-L669 HydrophobicContact CD2-CD1 4.5Å; L505-L669 HydrophobicContact CG-CD1 4.41Å |
| 506 | K | 91.6 | Very high | 91.8 | Very high | 20 Ų | 20 | 35.4 Ų | 35.4 | 9% | 0.087 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -73.1 | -31.6 | -178.9 | -72.1 | 166.2 | 174.3 | 166 | 0 | 114 | E502 R503 L504 P511 Y512 E663 V668 L669 | E502-K506 WeakPolarHBondContact O-CD 3.34Å; E502-K506 WeakPolarHBondContact O-CG 3.33Å; E502-K506 PolarHBondContact O-N 3.25Å; R503-K506 CarbonylContact O-C 3.6Å; R503-K506 PolarHBondContact O-N 3.38Å; R503-K506 VanDerWaalsContact O-N 3.11Å; L504-K506 VanDerWaalsContact C-N 3.35Å; K506-P511 WeakPolarHBondContact O-CA 3.42Å; K506-Y512 HydrophobicContact CB-CD1 4.39Å; K506-Y512 VanDerWaalsContact O-CD1 3.27Å; K506-Y512 WeakPolarHBondContact O-CD1 3.17Å; K506-Y512 PolarHBondContact O-N 3.3Å; K506-E663 PolarHBondContact NZ-O 2.81Å; K506-V668 HydrophobicContact CD-CG2 4.08Å; K506-V668 HydrophobicContact CG-CG2 4.42Å; K506-L669 HydrophobicContact CG-CD1 3.79Å; K506-L669 HydrophobicContact CG-CD2 4.23Å; K506-L669 HydrophobicContact CG-CG 3.94Å |
| 507 | S | 91.5 | Very high | 91.7 | Very high | 41 Ų | 41 | 35.9 Ų | 35.9 | 29% | 0.287 | 17% | 0.174 | S | C | . | . | I | π-helix | trans | -93.6 | -30.6 | -174.6 | 66.7 | 0 | 0 | 0 | 0 | 115 | K466 R503 L504 | K466-S507 PolarHBondContact NZ-O 2.89Å; K466-S507 VanDerWaalsContact NZ-O 3.08Å; R503-S507 WeakPolarHBondContact O-CB 3.34Å; R503-S507 PolarHBondContact O-N 2.94Å; R503-S507 PolarHBondContact O-OG 2.99Å; L504-S507 PolarHBondContact O-N 3.28Å |
| 508 | S | 92.1 | Very high | 91.5 | Very high | 15 Ų | 15 | 38.8 Ų | 38.8 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -135.6 | -37.9 | -158.8 | -52.9 | 0 | 0 | 0 | 0 | 114.6 | L504 | L504-S508 WeakPolarHBondContact O-CA 3.16Å; L504-S508 WeakPolarHBondContact O-CB 3.45Å; L504-S508 PolarHBondContact O-N 3.46Å |
| 509 | I | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -84.9 | -48.4 | 178.7 | -55.1 | 168.4 | 0 | 0 | 0 | 110.5 | Y465 L483 I486 L504 L505 C526 | Y465-I509 HydrophobicContact CD1-CG1 4.33Å; Y465-I509 HydrophobicContact CE1-CB 4.29Å; Y465-I509 HydrophobicContact CE1-CG1 4.49Å; Y465-I509 HydrophobicContact CE1-CG2 3.9Å; L483-I509 HydrophobicContact CD1-CD1 3.73Å; L483-I509 HydrophobicContact CD1-CG1 4.11Å; L483-I509 HydrophobicContact CD1-CG2 3.66Å; I486-I509 HydrophobicContact CG2-CD1 4.26Å; L504-I509 PolarHBondContact O-N 2.88Å; L505-I509 HydrophobicContact CD1-CB 4.12Å; L505-I509 HydrophobicContact CD1-CD1 4.41Å; L505-I509 HydrophobicContact CD1-CG2 4.19Å; I509-C526 HydrophobicContact CG2-CB 3.67Å |
| 510 | I | 92.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -127.3 | 80 | 173.8 | -49.9 | 172.8 | 0 | 0 | 0 | 107.5 | L505 Y512 R519 L523 L669 | L505-I510 HydrophobicContact CD1-CD1 3.84Å; L505-I510 HydrophobicContact CD1-CG1 4.08Å; L505-I510 CarbonylContact O-C 3.59Å; L505-I510 PolarHBondContact O-N 2.75Å; I510-Y512 PolarHBondContact O-N 3.07Å; I510-Y512 VanDerWaalsContact O-N 3.1Å; I510-R519 HydrophobicContact CG2-CB 4.31Å; I510-L523 HydrophobicContact CD1-CB 4Å; I510-L523 HydrophobicContact CD1-CD1 3.65Å; I510-L523 HydrophobicContact CD1-CG 4.38Å; I510-L669 HydrophobicContact CB-CD2 4.29Å; I510-L669 HydrophobicContact CG2-CD2 4.11Å; I510-L669 WeakPolarHBondContact O-CD2 3.22Å |
| 511 | P | 90.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -64 | 114 | -170.6 | -24.3 | 36.9 | 0 | 0 | 0 | 112.3 | K506 H513 F514 | K506-P511 WeakPolarHBondContact O-CA 3.42Å; P511-H513 PolarHBondContact O-N 3.08Å; P511-F514 HydrophobicContact CB-CD1 4.36Å; P511-F514 HydrophobicContact CB-CD2 3.83Å; P511-F514 HydrophobicContact CB-CE1 4.29Å; P511-F514 HydrophobicContact CB-CE2 3.78Å; P511-F514 HydrophobicContact CB-CG 4.14Å; P511-F514 HydrophobicContact CB-CZ 4.01Å; P511-F514 HydrophobicContact CG-CD2 3.92Å; P511-F514 HydrophobicContact CG-CE2 3.52Å; P511-F514 HydrophobicContact CG-CZ 3.98Å; P511-F514 PolarHBondContact O-N 3.37Å; P511-F514 VanDerWaalsContact O-N 3.08Å | ||
| 512 | Y | 86.7 | Confident | 90.5 | Very high | 97 Ų | 97 | 40 Ų | 40 | 38% | 0.38 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -15.2 | -171 | 73.5 | -99.8 | 0 | 0 | 0 | 115.1 | K506 I510 T627 | K506-Y512 HydrophobicContact CB-CD1 4.39Å; K506-Y512 VanDerWaalsContact O-CD1 3.27Å; K506-Y512 WeakPolarHBondContact O-CD1 3.17Å; K506-Y512 PolarHBondContact O-N 3.3Å; I510-Y512 PolarHBondContact O-N 3.07Å; I510-Y512 VanDerWaalsContact O-N 3.1Å; Y512-T627 HydrophobicContact CE2-CG2 4.02Å |
| 513 | H | 85.8 | Confident | 90.3 | Very high | 106 Ų | 106 | 39.8 Ų | 39.8 | 49% | 0.491 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -5.8 | 179.7 | 47.5 | -91.2 | 0 | 0 | 0 | 114.3 | K466 P511 | K466-H513 PolarHBondContact NZ-NE2 3.12Å; P511-H513 PolarHBondContact O-N 3.08Å |
| 514 | F | 86.7 | Confident | 90.1 | Very high | 46 Ų | 46 | 35.3 Ų | 35.3 | 20% | 0.202 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -80.4 | 157.9 | 173.8 | -64.5 | -16.3 | 0 | 0 | 0 | 111.7 | P511 V518 R519 | P511-F514 HydrophobicContact CB-CD1 4.36Å; P511-F514 HydrophobicContact CB-CD2 3.83Å; P511-F514 HydrophobicContact CB-CE1 4.29Å; P511-F514 HydrophobicContact CB-CE2 3.78Å; P511-F514 HydrophobicContact CB-CG 4.14Å; P511-F514 HydrophobicContact CB-CZ 4.01Å; P511-F514 HydrophobicContact CG-CD2 3.92Å; P511-F514 HydrophobicContact CG-CE2 3.52Å; P511-F514 HydrophobicContact CG-CZ 3.98Å; P511-F514 PolarHBondContact O-N 3.37Å; P511-F514 VanDerWaalsContact O-N 3.08Å; F514-V518 HydrophobicContact CB-CB 4.12Å; F514-V518 HydrophobicContact CB-CG1 4.08Å; F514-V518 HydrophobicContact CD2-CG1 3.66Å; F514-V518 HydrophobicContact CE2-CG1 4.34Å; F514-V518 HydrophobicContact CG-CG1 4.11Å; F514-R519 HydrophobicContact CB-CG 3.82Å; F514-R519 WeakPolarHBondContact O-CD 3.33Å; F514-R519 WeakPolarHBondContact O-CG 3.41Å; F514-R519 PolarHBondContact O-NE 2.87Å |
| 515 | E | 87.8 | Confident | 89.6 | Confident | 161 Ų | 161 | 36.1 Ų | 36.1 | 75% | 0.752 | 18% | 0.183 | S | C | * | . | trans | -66.1 | 159 | 173.8 | -61.3 | -169.4 | 159.8 | 0 | 0 | 112.2 | A517 V518 R519 | E515-A517 PolarHBondContact O-N 3.25Å; E515-V518 PolarHBondContact O-N 3.48Å; E515-V518 VanDerWaalsContact O-N 3.09Å; E515-R519 WeakPolarHBondContact O-CG 3.48Å; E515-R519 PolarHBondContact O-N 2.8Å | ||
| 516 | N | 88.6 | Confident | 89.5 | Confident | 40 Ų | 40 | 36.1 Ų | 36.1 | 21% | 0.214 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58 | -44.3 | -168.4 | -72.9 | 2 | 0 | 0 | 0 | 114 | V518 R519 V520 N673 F674 E677 | N516-V518 VanDerWaalsContact C-N 3.32Å; N516-V518 PolarHBondContact O-N 3.3Å; N516-R519 PolarHBondContact O-N 3.43Å; N516-R519 PolarHBondContact OD1-NH2 3.23Å; N516-V520 WeakPolarHBondContact O-CG2 3.39Å; N516-V520 PolarHBondContact O-N 3.06Å; N516-N673 WeakPolarHBondContact ND2-CB 3.46Å; N516-N673 PolarHBondContact ND2-O 3.16Å; N516-F674 PolarHBondContact ND2-N 2.93Å; N516-E677 HydrophobicContact CB-CB 4.49Å |
| 517 | A | 88.3 | Confident | 89.4 | Confident | 47 Ų | 47 | 35.2 Ų | 35.2 | 39% | 0.388 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.3 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E515 V520 Q521 E677 | E515-A517 PolarHBondContact O-N 3.25Å; A517-V520 PolarHBondContact O-N 3.5Å; A517-Q521 WeakPolarHBondContact O-CB 3.49Å; A517-Q521 PolarHBondContact O-N 2.62Å; A517-E677 HydrophobicContact CB-CG 4.18Å |
| 518 | V | 88.3 | Confident | 89.3 | Confident | 62 Ų | 62 | 34.1 Ų | 34.1 | 38% | 0.376 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -68.8 | -36.3 | 178.1 | -173.4 | 0 | 0 | 0 | 0 | 111.3 | F514 E515 N516 A522 | F514-V518 HydrophobicContact CB-CB 4.12Å; F514-V518 HydrophobicContact CB-CG1 4.08Å; F514-V518 HydrophobicContact CD2-CG1 3.66Å; F514-V518 HydrophobicContact CE2-CG1 4.34Å; F514-V518 HydrophobicContact CG-CG1 4.11Å; E515-V518 PolarHBondContact O-N 3.48Å; E515-V518 VanDerWaalsContact O-N 3.09Å; N516-V518 VanDerWaalsContact C-N 3.32Å; N516-V518 PolarHBondContact O-N 3.3Å; V518-A522 VanDerWaalsContact O-CB 3.29Å; V518-A522 WeakPolarHBondContact O-CB 3.29Å; V518-A522 PolarHBondContact O-N 3.02Å |
| 519 | R | 90.5 | Very high | 89.2 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68 | -38.1 | 174.5 | -64.9 | -167.6 | -62.4 | 154.2 | 6 | 112.3 | I510 F514 E515 N516 A522 L523 C623 V668 L669 F674 | I510-R519 HydrophobicContact CG2-CB 4.31Å; F514-R519 HydrophobicContact CB-CG 3.82Å; F514-R519 WeakPolarHBondContact O-CD 3.33Å; F514-R519 WeakPolarHBondContact O-CG 3.41Å; F514-R519 PolarHBondContact O-NE 2.87Å; E515-R519 WeakPolarHBondContact O-CG 3.48Å; E515-R519 PolarHBondContact O-N 2.8Å; N516-R519 PolarHBondContact O-N 3.43Å; N516-R519 PolarHBondContact OD1-NH2 3.23Å; R519-A522 PolarHBondContact O-N 2.84Å; R519-L523 PolarHBondContact O-N 3.17Å; R519-C623 PolarHBondContact NH1-SG 3.38Å; R519-C623 PolarHBondContact NH2-SG 3.47Å; R519-C623 VanDerWaalsContact NH2-SG 3.38Å; R519-V668 PolarHBondContact NH1-O 3.24Å; R519-L669 PolarHBondContact NH1-O 2.83Å; R519-L669 VanDerWaalsContact NH1-O 3.15Å; R519-F674 HydrophobicContact CB-CD2 4.1Å; R519-F674 HydrophobicContact CB-CE2 3.74Å |
| 520 | V | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.6 | -45.8 | 173.9 | 168.9 | 0 | 0 | 0 | 0 | 110.6 | N516 A517 A522 L523 F524 F674 E677 L678 Q681 | N516-V520 WeakPolarHBondContact O-CG2 3.39Å; N516-V520 PolarHBondContact O-N 3.06Å; A517-V520 PolarHBondContact O-N 3.5Å; V520-A522 VanDerWaalsContact C-N 3.32Å; V520-A522 PolarHBondContact O-N 2.96Å; V520-L523 PolarHBondContact O-N 2.89Å; V520-F524 HydrophobicContact CG1-CD2 4.05Å; V520-F524 HydrophobicContact CG1-CE1 4.41Å; V520-F524 HydrophobicContact CG1-CE2 3.72Å; V520-F524 HydrophobicContact CG1-CZ 3.92Å; V520-F524 WeakPolarHBondContact O-CG 3.39Å; V520-F524 PolarHBondContact O-N 3.3Å; V520-F674 HydrophobicContact CB-CE2 4.44Å; V520-F674 HydrophobicContact CG2-CD1 4.39Å; V520-F674 HydrophobicContact CG2-CD2 3.84Å; V520-F674 HydrophobicContact CG2-CE1 4.14Å; V520-F674 HydrophobicContact CG2-CE2 3.56Å; V520-F674 HydrophobicContact CG2-CG 4.24Å; V520-F674 HydrophobicContact CG2-CZ 3.72Å; V520-E677 HydrophobicContact CB-CG 4.29Å; V520-E677 HydrophobicContact CG2-CB 4.09Å; V520-E677 HydrophobicContact CG2-CG 3.99Å; V520-L678 HydrophobicContact CG1-CD1 4.36Å; V520-L678 HydrophobicContact CG2-CB 4.33Å; V520-Q681 HydrophobicContact CG1-CB 4.16Å; V520-Q681 HydrophobicContact CG1-CG 4.04Å |
| 521 | Q | 87.3 | Confident | 89.2 | Confident | 84 Ų | 84 | 37.3 Ų | 37.3 | 39% | 0.393 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 175 | -167.8 | -176.9 | 18.9 | 0 | 0 | 111.9 | A517 F524 R525 | A517-Q521 WeakPolarHBondContact O-CB 3.49Å; A517-Q521 PolarHBondContact O-N 2.62Å; Q521-F524 PolarHBondContact O-N 3.11Å; Q521-R525 WeakPolarHBondContact O-CB 3.26Å; Q521-R525 PolarHBondContact O-N 3.24Å |
| 522 | A | 88.9 | Confident | 89.1 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L469 V518 R519 V520 R525 C526 | L469-A522 HydrophobicContact CD2-CB 4.07Å; V518-A522 VanDerWaalsContact O-CB 3.29Å; V518-A522 WeakPolarHBondContact O-CB 3.29Å; V518-A522 PolarHBondContact O-N 3.02Å; R519-A522 PolarHBondContact O-N 2.84Å; V520-A522 VanDerWaalsContact C-N 3.32Å; V520-A522 PolarHBondContact O-N 2.96Å; A522-R525 PolarHBondContact O-N 3.43Å; A522-C526 PolarHBondContact O-N 2.93Å |
| 523 | L | 91.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 173.5 | 173 | 61.2 | 0 | 0 | 0 | 111.5 | I510 R519 V520 C526 Y527 F670 F674 L678 L706 | I510-L523 HydrophobicContact CD1-CB 4Å; I510-L523 HydrophobicContact CD1-CD1 3.65Å; I510-L523 HydrophobicContact CD1-CG 4.38Å; R519-L523 PolarHBondContact O-N 3.17Å; V520-L523 PolarHBondContact O-N 2.89Å; L523-C526 PolarHBondContact O-N 3.02Å; L523-C526 PolarHBondContact O-SG 3.41Å; L523-Y527 VanDerWaalsContact O-CB 3.27Å; L523-Y527 WeakPolarHBondContact O-CB 3.35Å; L523-Y527 PolarHBondContact O-N 3.38Å; L523-F670 HydrophobicContact CD2-CE1 4.47Å; L523-F674 HydrophobicContact CB-CZ 4.44Å; L523-F674 HydrophobicContact CD2-CE1 3.99Å; L523-F674 HydrophobicContact CD2-CZ 3.65Å; L523-L678 HydrophobicContact CD2-CD1 4.14Å; L523-L706 HydrophobicContact CD1-CD1 4.14Å; L523-L706 HydrophobicContact CD1-CD2 4.27Å; L523-L706 HydrophobicContact CD2-CD1 4.24Å; L523-L706 HydrophobicContact CD2-CD2 3.93Å; L523-L706 HydrophobicContact CG-CD1 4.46Å; L523-L706 HydrophobicContact CG-CD2 3.85Å |
| 524 | F | 89.1 | Confident | 89.9 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.2 | -38.3 | 178.1 | -68.1 | -13.6 | 0 | 0 | 0 | 112.9 | V520 Q521 Y527 S528 L678 Q681 L682 I685 L691 M698 L706 | V520-F524 HydrophobicContact CG1-CD2 4.05Å; V520-F524 HydrophobicContact CG1-CE1 4.41Å; V520-F524 HydrophobicContact CG1-CE2 3.72Å; V520-F524 HydrophobicContact CG1-CZ 3.92Å; V520-F524 WeakPolarHBondContact O-CG 3.39Å; V520-F524 PolarHBondContact O-N 3.3Å; Q521-F524 PolarHBondContact O-N 3.11Å; F524-Y527 PolarHBondContact O-N 3.05Å; F524-S528 WeakPolarHBondContact O-CB 3.42Å; F524-S528 PolarHBondContact O-N 3.15Å; F524-S528 PolarHBondContact O-OG 2.97Å; F524-L678 HydrophobicContact CD1-CD1 4.47Å; F524-L678 HydrophobicContact CE1-CD1 3.41Å; F524-L678 VanDerWaalsContact CE1-CD1 3.41Å; F524-L678 HydrophobicContact CZ-CD1 3.67Å; F524-Q681 HydrophobicContact CD2-CB 4.5Å; F524-Q681 HydrophobicContact CE2-CB 3.6Å; F524-Q681 HydrophobicContact CZ-CB 4.35Å; F524-L682 HydrophobicContact CE1-CD2 4.47Å; F524-L682 HydrophobicContact CZ-CD2 3.99Å; F524-L682 HydrophobicContact CZ-CG 4.15Å; F524-I685 HydrophobicContact CD2-CD1 3.89Å; F524-I685 HydrophobicContact CE2-CD1 3.59Å; F524-I685 HydrophobicContact CZ-CD1 4.21Å; F524-L691 HydrophobicContact CB-CD1 3.84Å; F524-L691 HydrophobicContact CD2-CD1 3.78Å; F524-L691 HydrophobicContact CD2-CD2 3.99Å; F524-L691 HydrophobicContact CD2-CG 4.42Å; F524-L691 HydrophobicContact CG-CD1 4.24Å; F524-M698 HydrophobicContact CB-CE 3.96Å; F524-M698 HydrophobicContact CB-SD 4Å; F524-M698 HydrophobicContact CD1-CE 3.28Å; F524-M698 HydrophobicContact CD1-SD 3.79Å; F524-M698 HydrophobicContact CD2-CE 3.82Å; F524-M698 HydrophobicContact CE1-CE 3.52Å; F524-M698 HydrophobicContact CE1-SD 4.46Å; F524-M698 HydrophobicContact CE2-CE 4Å; F524-M698 HydrophobicContact CG-CE 3.43Å; F524-M698 VanDerWaalsContact CG-CE 3.43Å; F524-M698 HydrophobicContact CG-SD 4.02Å; F524-M698 HydrophobicContact CZ-CE 3.87Å; F524-L706 HydrophobicContact CD1-CD2 3.74Å; F524-L706 HydrophobicContact CE1-CD2 3.69Å |
| 525 | R | 86.4 | Confident | 90.2 | Very high | 29 Ų | 29 | 31.6 Ų | 31.6 | 11% | 0.109 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.6 | -33.8 | 174.2 | -174 | 163.8 | 168 | -162.5 | -9.8 | 112 | G468 L469 Q521 A522 S528 L529 | G468-R525 PolarHBondContact O-NH2 3.06Å; L469-R525 HydrophobicContact CD1-CG 4.24Å; L469-R525 PolarHBondContact O-NH1 3.17Å; Q521-R525 WeakPolarHBondContact O-CB 3.26Å; Q521-R525 PolarHBondContact O-N 3.24Å; A522-R525 PolarHBondContact O-N 3.43Å; R525-S528 PolarHBondContact O-OG 3Å; R525-L529 HydrophobicContact CG-CD1 4.34Å; R525-L529 WeakPolarHBondContact O-CD1 3.49Å; R525-L529 VanDerWaalsContact O-CG 3.25Å; R525-L529 WeakPolarHBondContact O-CG 3.45Å |
| 526 | C | 90.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.8 | -45 | 172.3 | 89.5 | 0 | 0 | 0 | 0 | 111.5 | Y465 L483 I509 A522 L523 S528 L529 M530 | Y465-C526 WeakPolarHBondContact OH-CA 3.35Å; Y465-C526 WeakPolarHBondContact OH-CB 3.28Å; L483-C526 HydrophobicContact CD1-CB 4.35Å; L483-C526 HydrophobicContact CD2-CB 3.75Å; L483-C526 WeakPolarHBondContact CD2-O 3.26Å; I509-C526 HydrophobicContact CG2-CB 3.67Å; A522-C526 PolarHBondContact O-N 2.93Å; L523-C526 PolarHBondContact O-N 3.02Å; L523-C526 PolarHBondContact O-SG 3.41Å; C526-S528 VanDerWaalsContact C-N 3.3Å; C526-S528 PolarHBondContact O-N 2.94Å; C526-L529 PolarHBondContact O-N 2.77Å; C526-L529 VanDerWaalsContact O-N 3.09Å; C526-M530 WeakPolarHBondContact O-CG 3.38Å; C526-M530 PolarHBondContact O-N 3.07Å |
| 527 | Y | 91.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.6 | -23.7 | -176 | -155.3 | -88.4 | 0 | 0 | 0 | 114 | L523 F524 M530 I535 M698 R702 R705 L706 | L523-Y527 VanDerWaalsContact O-CB 3.27Å; L523-Y527 WeakPolarHBondContact O-CB 3.35Å; L523-Y527 PolarHBondContact O-N 3.38Å; F524-Y527 PolarHBondContact O-N 3.05Å; Y527-M530 HydrophobicContact CD2-CE 3.96Å; Y527-M530 HydrophobicContact CD2-SD 4.28Å; Y527-M530 HydrophobicContact CE2-CE 4.26Å; Y527-I535 HydrophobicContact CE1-CD1 4.44Å; Y527-I535 HydrophobicContact CE2-CG1 4.38Å; Y527-M698 HydrophobicContact CD1-SD 4.44Å; Y527-R702 HydrophobicContact CD1-CB 4.15Å; Y527-R702 HydrophobicContact CE1-CB 4.11Å; Y527-R702 WeakPolarHBondContact CE1-O 3.37Å; Y527-R702 PolarHBondContact O-NH1 3.47Å; Y527-R705 HydrophobicContact CE1-CB 4.47Å; Y527-L706 HydrophobicContact CD1-CB 4.12Å; Y527-L706 HydrophobicContact CD2-CB 4.3Å; Y527-L706 HydrophobicContact CD2-CD1 3.97Å; Y527-L706 HydrophobicContact CD2-CD2 4.42Å; Y527-L706 HydrophobicContact CD2-CG 4.46Å; Y527-L706 HydrophobicContact CE1-CB 3.89Å; Y527-L706 HydrophobicContact CE2-CB 4.07Å; Y527-L706 HydrophobicContact CE2-CD1 3.97Å; Y527-L706 HydrophobicContact CG-CB 4.32Å; Y527-L706 HydrophobicContact CG-CD2 4.23Å; Y527-L706 PolarHBondContact OH-N 3.49Å |
| 528 | S | 88.2 | Confident | 90.9 | Very high | 18 Ų | 18 | 24.2 Ų | 24.2 | 13% | 0.126 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -76.3 | -32.1 | 169.6 | 46.8 | 0 | 0 | 0 | 0 | 113.3 | F524 R525 C526 R702 | F524-S528 WeakPolarHBondContact O-CB 3.42Å; F524-S528 PolarHBondContact O-N 3.15Å; F524-S528 PolarHBondContact O-OG 2.97Å; R525-S528 PolarHBondContact O-OG 3Å; C526-S528 VanDerWaalsContact C-N 3.3Å; C526-S528 PolarHBondContact O-N 2.94Å; S528-R702 PolarHBondContact O-NH1 3.38Å |
| 529 | L | 90.3 | Very high | 91.1 | Very high | 27 Ų | 27 | 22 Ų | 22 | 14% | 0.141 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -85.4 | -10.3 | 177.3 | -64.4 | 173.5 | 0 | 0 | 0 | 114.2 | Y465 A480 L483 N484 R525 C526 | Y465-L529 HydrophobicContact CE2-CD1 4.21Å; A480-L529 HydrophobicContact CB-CB 4.07Å; A480-L529 HydrophobicContact CB-CD2 4.18Å; L483-L529 HydrophobicContact CD2-CB 3.96Å; N484-L529 PolarHBondContact ND2-O 2.69Å; R525-L529 HydrophobicContact CG-CD1 4.34Å; R525-L529 WeakPolarHBondContact O-CD1 3.49Å; R525-L529 VanDerWaalsContact O-CG 3.25Å; R525-L529 WeakPolarHBondContact O-CG 3.45Å; C526-L529 PolarHBondContact O-N 2.77Å; C526-L529 VanDerWaalsContact O-N 3.09Å |
| 530 | M | 92.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | trans | -75.2 | 142.7 | -178 | -81 | 158 | 57.4 | 0 | 0 | 113.6 | L483 N484 L487 C526 Y527 S534 I535 M538 R702 | L483-M530 HydrophobicContact CD2-CG 3.84Å; L483-M530 HydrophobicContact CG-CG 4.24Å; N484-M530 VanDerWaalsContact OD1-CA 3.28Å; N484-M530 WeakPolarHBondContact OD1-CA 3.36Å; L487-M530 HydrophobicContact CD1-CE 4.15Å; L487-M530 HydrophobicContact CD1-CG 3.73Å; L487-M530 HydrophobicContact CD1-SD 3.8Å; C526-M530 WeakPolarHBondContact O-CG 3.38Å; C526-M530 PolarHBondContact O-N 3.07Å; Y527-M530 HydrophobicContact CD2-CE 3.96Å; Y527-M530 HydrophobicContact CD2-SD 4.28Å; Y527-M530 HydrophobicContact CE2-CE 4.26Å; M530-S534 WeakPolarHBondContact CE-O 3.43Å; M530-I535 HydrophobicContact CB-CG1 4.12Å; M530-I535 HydrophobicContact CE-CG1 4.03Å; M530-M538 HydrophobicContact CE-CB 3.6Å; M530-M538 HydrophobicContact CE-CE 3.8Å; M530-M538 HydrophobicContact CE-CG 4.07Å; M530-M538 HydrophobicContact SD-CE 3.68Å; M530-R702 PolarHBondContact O-NH1 2.72Å; M530-R702 PolarHBondContact O-NH2 3.47Å | ||
| 531 | D | 93.7 | Very high | 91.2 | Very high | 54 Ų | 54 | 25.7 Ų | 25.7 | 29% | 0.289 | 13% | 0.128 | S | C | . | . | trans | -85.7 | 169.4 | 168.7 | 72.4 | -2.2 | 0 | 0 | 0 | 112.6 | N484 H488 A533 S534 I535 | N484-D531 PolarHBondContact OD1-N 3.13Å; N484-D531 PolarHBondContact OD1-OD1 2.84Å; H488-D531 IonicContact CD2-OD1 3.78Å; H488-D531 IonicContact CE1-OD2 3.26Å; H488-D531 PolarHBondContact CE1-OD2 2.98Å; H488-D531 VanDerWaalsContact CE1-OD2 3.26Å; H488-D531 IonicContact NE2-OD1 2.66Å; H488-D531 PolarHBondContact NE2-OD1 3.43Å; H488-D531 VanDerWaalsContact NE2-OD1 3.16Å; H488-D531 IonicContact NE2-OD2 2.71Å; H488-D531 PolarHBondContact NE2-OD2 2.92Å; D531-A533 PolarHBondContact O-N 3.3Å; D531-A533 PolarHBondContact OD1-N 2.88Å; D531-S534 PolarHBondContact O-N 3.36Å; D531-S534 WeakPolarHBondContact OD1-CB 3.23Å; D531-S534 PolarHBondContact OD1-N 3.3Å; D531-S534 PolarHBondContact OD1-OG 2.71Å; D531-I535 WeakPolarHBondContact O-CG1 3.39Å; D531-I535 PolarHBondContact O-N 3.15Å | ||
| 532 | E | 89.4 | Confident | 91.4 | Very high | 90 Ų | 90 | 21.7 Ų | 21.7 | 42% | 0.421 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -60.2 | -26.1 | -180 | -86 | -65.8 | 146.6 | 0 | 0 | 114.1 | K536 R705 | E532-K536 VanDerWaalsContact O-CD 3.29Å; E532-K536 WeakPolarHBondContact O-CD 3.46Å; E532-K536 WeakPolarHBondContact O-CG 3.38Å; E532-K536 PolarHBondContact O-NZ 2.87Å; E532-K536 VanDerWaalsContact O-NZ 3.13Å; E532-K536 IonicContact OE2-NZ 2.7Å; E532-K536 PolarHBondContact OE2-NZ 3.16Å; E532-R705 IonicContact OE1-CZ 2.71Å; E532-R705 IonicContact OE1-NH1 3.76Å; E532-R705 PolarHBondContact OE1-NH1 3.41Å |
| 533 | A | 93.7 | Very high | 91.5 | Very high | 33 Ų | 33 | 24 Ų | 24 | 27% | 0.273 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -75.7 | -39.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y491 D531 K536 A537 | Y491-A533 HydrophobicContact CE2-CB 4.33Å; Y491-A533 WeakPolarHBondContact CE2-O 3.21Å; Y491-A533 PolarHBondContact OH-O 3.49Å; D531-A533 PolarHBondContact O-N 3.3Å; D531-A533 PolarHBondContact OD1-N 2.88Å; A533-K536 PolarHBondContact O-N 3.48Å; A533-A537 PolarHBondContact O-N 2.85Å |
| 534 | S | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -74.7 | -33.8 | 179.1 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | N484 H488 M530 D531 K536 A537 M538 | N484-S534 VanDerWaalsContact OD1-CB 3.32Å; N484-S534 WeakPolarHBondContact OD1-CB 3.29Å; N484-S534 PolarHBondContact OD1-OG 2.99Å; H488-S534 PolarHBondContact CD2-OG 3.44Å; H488-S534 VanDerWaalsContact CD2-OG 3.28Å; H488-S534 PolarHBondContact NE2-OG 2.75Å; M530-S534 WeakPolarHBondContact CE-O 3.43Å; D531-S534 PolarHBondContact O-N 3.36Å; D531-S534 WeakPolarHBondContact OD1-CB 3.23Å; D531-S534 PolarHBondContact OD1-N 3.3Å; D531-S534 PolarHBondContact OD1-OG 2.71Å; S534-K536 VanDerWaalsContact C-N 3.32Å; S534-K536 PolarHBondContact O-N 3.3Å; S534-A537 WeakPolarHBondContact O-CB 3.42Å; S534-A537 PolarHBondContact O-N 3.39Å; S534-M538 WeakPolarHBondContact O-CB 3.39Å; S534-M538 PolarHBondContact O-N 3.35Å |
| 535 | I | 92.8 | Very high | 91.4 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.026 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 169.9 | -70.4 | 170.3 | 0 | 0 | 0 | 110.2 | Y527 M530 D531 A537 M538 Q539 | Y527-I535 HydrophobicContact CE1-CD1 4.44Å; Y527-I535 HydrophobicContact CE2-CG1 4.38Å; M530-I535 HydrophobicContact CB-CG1 4.12Å; M530-I535 HydrophobicContact CE-CG1 4.03Å; D531-I535 WeakPolarHBondContact O-CG1 3.39Å; D531-I535 PolarHBondContact O-N 3.15Å; I535-A537 PolarHBondContact O-N 3.2Å; I535-M538 PolarHBondContact O-N 2.99Å; I535-Q539 WeakPolarHBondContact O-CG 3.27Å; I535-Q539 PolarHBondContact O-N 2.75Å |
| 536 | K | 91 | Very high | 91.5 | Very high | 91 Ų | 91 | 28 Ų | 28 | 40% | 0.396 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -65.5 | -36.9 | 176.1 | -70.6 | 165.9 | -169.4 | 115.1 | 0 | 112.2 | Y491 E532 A533 S534 Q539 E540 | Y491-K536 WeakPolarHBondContact OH-CB 3.34Å; E532-K536 VanDerWaalsContact O-CD 3.29Å; E532-K536 WeakPolarHBondContact O-CD 3.46Å; E532-K536 WeakPolarHBondContact O-CG 3.38Å; E532-K536 PolarHBondContact O-NZ 2.87Å; E532-K536 VanDerWaalsContact O-NZ 3.13Å; E532-K536 IonicContact OE2-NZ 2.7Å; E532-K536 PolarHBondContact OE2-NZ 3.16Å; A533-K536 PolarHBondContact O-N 3.48Å; S534-K536 VanDerWaalsContact C-N 3.32Å; S534-K536 PolarHBondContact O-N 3.3Å; K536-Q539 PolarHBondContact O-N 3.35Å; K536-E540 PolarHBondContact O-N 3.45Å |
| 537 | A | 94.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L487 Y491 A533 S534 I535 Q539 E540 I541 | L487-A537 HydrophobicContact CB-CB 4.49Å; Y491-A537 HydrophobicContact CE2-CB 4.03Å; A533-A537 PolarHBondContact O-N 2.85Å; S534-A537 WeakPolarHBondContact O-CB 3.42Å; S534-A537 PolarHBondContact O-N 3.39Å; I535-A537 PolarHBondContact O-N 3.2Å; A537-Q539 PolarHBondContact O-N 2.92Å; A537-E540 PolarHBondContact O-N 2.76Å; A537-I541 WeakPolarHBondContact O-CG1 3.4Å; A537-I541 PolarHBondContact O-N 3.36Å |
| 538 | M | 93.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 175.9 | -170.5 | 72.4 | 75.4 | 0 | 0 | 112 | L487 L505 M530 S534 I535 E540 I541 F542 | L487-M538 HydrophobicContact CD1-CE 4.13Å; L487-M538 HydrophobicContact CD2-CE 4.17Å; L505-M538 HydrophobicContact CD1-CE 3.86Å; L505-M538 HydrophobicContact CD1-SD 4.09Å; L505-M538 HydrophobicContact CD2-SD 3.9Å; M530-M538 HydrophobicContact CE-CB 3.6Å; M530-M538 HydrophobicContact CE-CE 3.8Å; M530-M538 HydrophobicContact CE-CG 4.07Å; M530-M538 HydrophobicContact SD-CE 3.68Å; S534-M538 WeakPolarHBondContact O-CB 3.39Å; S534-M538 PolarHBondContact O-N 3.35Å; I535-M538 PolarHBondContact O-N 2.99Å; M538-E540 VanDerWaalsContact C-N 3.34Å; M538-E540 PolarHBondContact O-N 3.15Å; M538-I541 WeakPolarHBondContact O-CB 3.34Å; M538-I541 PolarHBondContact O-N 3.16Å; M538-F542 HydrophobicContact CG-CD1 4.38Å; M538-F542 HydrophobicContact CG-CE1 3.8Å; M538-F542 HydrophobicContact CG-CE2 4.21Å; M538-F542 HydrophobicContact CG-CZ 3.7Å; M538-F542 WeakPolarHBondContact O-CD1 3.26Å; M538-F542 WeakPolarHBondContact O-CG 2.95Å; M538-F542 PolarHBondContact O-N 2.78Å; M538-F542 HydrophobicContact SD-CD1 4.43Å; M538-F542 HydrophobicContact SD-CE1 3.65Å; M538-F542 HydrophobicContact SD-CZ 3.98Å |
| 539 | Q | 91.6 | Very high | 91.4 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 8% | 0.075 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63 | -38.6 | 174.2 | -72.4 | 169.4 | -25.1 | 0 | 0 | 112.2 | I535 K536 A537 F542 K543 A709 Y713 | I535-Q539 WeakPolarHBondContact O-CG 3.27Å; I535-Q539 PolarHBondContact O-N 2.75Å; K536-Q539 PolarHBondContact O-N 3.35Å; A537-Q539 PolarHBondContact O-N 2.92Å; Q539-F542 PolarHBondContact O-N 2.85Å; Q539-K543 VanDerWaalsContact O-CB 3.28Å; Q539-K543 WeakPolarHBondContact O-CB 3.41Å; Q539-K543 PolarHBondContact O-N 3.3Å; Q539-A709 HydrophobicContact CG-CB 4.17Å; Q539-Y713 WeakPolarHBondContact O-CE2 3.37Å |
| 540 | E | 90.5 | Very high | 91.3 | Very high | 80 Ų | 80 | 33.2 Ų | 33.2 | 37% | 0.374 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -73.9 | -30.2 | 175.8 | -168 | 61 | -152.7 | 0 | 0 | 112.4 | Y490 K536 A537 M538 K543 T544 | Y490-E540 HydrophobicContact CE1-CB 4.2Å; Y490-E540 HydrophobicContact CE1-CG 4.01Å; K536-E540 PolarHBondContact O-N 3.45Å; A537-E540 PolarHBondContact O-N 2.76Å; M538-E540 VanDerWaalsContact C-N 3.34Å; M538-E540 PolarHBondContact O-N 3.15Å; E540-K543 IonicContact OE1-NZ 2.7Å; E540-K543 PolarHBondContact OE1-NZ 3.45Å; E540-K543 IonicContact OE2-NZ 2.62Å; E540-K543 PolarHBondContact OE2-NZ 2.82Å; E540-T544 WeakPolarHBondContact O-CB 3.41Å; E540-T544 PolarHBondContact O-N 2.71Å; E540-T544 PolarHBondContact O-OG1 3.23Å |
| 541 | I | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.2 | -52.1 | 167.6 | -71.5 | 163.1 | 0 | 0 | 0 | 110.2 | L487 Y490 V501 E502 L505 A537 M538 K543 T544 Q545 | L487-I541 HydrophobicContact CD2-CD1 4.11Å; Y490-I541 HydrophobicContact CD1-CG1 4.03Å; Y490-I541 HydrophobicContact CD2-CD1 3.9Å; Y490-I541 HydrophobicContact CD2-CG1 3.57Å; Y490-I541 HydrophobicContact CE1-CG1 3.84Å; Y490-I541 HydrophobicContact CE2-CD1 4.15Å; Y490-I541 HydrophobicContact CE2-CG1 3.35Å; Y490-I541 HydrophobicContact CG-CD1 4.2Å; Y490-I541 HydrophobicContact CG-CG1 3.91Å; Y490-I541 VanDerWaalsContact CZ-CG1 3.48Å; V501-I541 HydrophobicContact CG1-CD1 3.91Å; E502-I541 HydrophobicContact CG-CG1 4.4Å; E502-I541 HydrophobicContact CG-CG2 3.93Å; L505-I541 HydrophobicContact CD2-CD1 4.47Å; L505-I541 HydrophobicContact CD2-CG2 3.92Å; A537-I541 WeakPolarHBondContact O-CG1 3.4Å; A537-I541 PolarHBondContact O-N 3.36Å; M538-I541 WeakPolarHBondContact O-CB 3.34Å; M538-I541 PolarHBondContact O-N 3.16Å; I541-K543 VanDerWaalsContact C-N 3.34Å; I541-K543 PolarHBondContact O-N 3.34Å; I541-T544 PolarHBondContact O-N 3.47Å; I541-Q545 WeakPolarHBondContact O-CG 3.45Å; I541-Q545 PolarHBondContact O-N 3.04Å |
| 542 | F | 91.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.2 | -45.6 | 178.9 | -68.5 | -1.6 | 0 | 0 | 0 | 111.1 | M538 Q539 T544 Q545 Y546 F670 L706 A709 Y713 F714 | M538-F542 HydrophobicContact CG-CD1 4.38Å; M538-F542 HydrophobicContact CG-CE1 3.8Å; M538-F542 HydrophobicContact CG-CE2 4.21Å; M538-F542 HydrophobicContact CG-CZ 3.7Å; M538-F542 WeakPolarHBondContact O-CD1 3.26Å; M538-F542 WeakPolarHBondContact O-CG 2.95Å; M538-F542 PolarHBondContact O-N 2.78Å; M538-F542 HydrophobicContact SD-CD1 4.43Å; M538-F542 HydrophobicContact SD-CE1 3.65Å; M538-F542 HydrophobicContact SD-CZ 3.98Å; Q539-F542 PolarHBondContact O-N 2.85Å; F542-T544 PolarHBondContact O-N 3.34Å; F542-Q545 PolarHBondContact O-N 3.03Å; F542-Y546 WeakPolarHBondContact O-CB 3.29Å; F542-Y546 PolarHBondContact O-N 3.39Å; F542-F670 HydrophobicContact CD1-CE2 4.22Å; F542-F670 AromaticContact CE1-CE2 3.82Å; F542-F670 HydrophobicContact CE1-CE2 3.82Å; F542-F670 AromaticContact CE1-CZ 3.78Å; F542-F670 HydrophobicContact CE1-CZ 3.78Å; F542-F670 HydrophobicContact CZ-CE2 4.18Å; F542-F670 AromaticContact CZ-CZ 3.82Å; F542-F670 HydrophobicContact CZ-CZ 3.82Å; F542-L706 HydrophobicContact CE2-CD1 4.35Å; F542-A709 HydrophobicContact CD2-CB 4.14Å; F542-A709 HydrophobicContact CE2-CB 4.32Å; F542-Y713 HydrophobicContact CB-CD2 3.58Å; F542-Y713 HydrophobicContact CB-CE2 4.26Å; F542-Y713 HydrophobicContact CB-CG 4.14Å; F542-F714 HydrophobicContact CB-CE2 3.72Å; F542-F714 HydrophobicContact CB-CZ 4.31Å; F542-F714 HydrophobicContact CD1-CE2 4.03Å; F542-F714 HydrophobicContact CD2-CE2 4.21Å; F542-F714 AromaticContact CG-CE2 3.74Å; F542-F714 HydrophobicContact CG-CE2 3.74Å |
| 543 | K | 89 | Confident | 91.1 | Very high | 52 Ų | 52 | 30.2 Ų | 30.2 | 23% | 0.226 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.4 | -44.4 | 173.9 | -179.9 | 158.2 | 148.9 | -83.4 | 0 | 112.9 | Q539 E540 I541 Y546 V547 Y713 | Q539-K543 VanDerWaalsContact O-CB 3.28Å; Q539-K543 WeakPolarHBondContact O-CB 3.41Å; Q539-K543 PolarHBondContact O-N 3.3Å; E540-K543 IonicContact OE1-NZ 2.7Å; E540-K543 PolarHBondContact OE1-NZ 3.45Å; E540-K543 IonicContact OE2-NZ 2.62Å; E540-K543 PolarHBondContact OE2-NZ 2.82Å; I541-K543 VanDerWaalsContact C-N 3.34Å; I541-K543 PolarHBondContact O-N 3.34Å; K543-Y546 PolarHBondContact O-N 3.19Å; K543-V547 WeakPolarHBondContact O-CB 3.47Å; K543-V547 VanDerWaalsContact O-CG2 3.3Å; K543-V547 WeakPolarHBondContact O-CG2 3.27Å; K543-V547 PolarHBondContact O-N 2.81Å; K543-Y713 HydrophobicContact CB-CD1 4.18Å; K543-Y713 HydrophobicContact CB-CE1 3.56Å; K543-Y713 HydrophobicContact CB-CE2 4.21Å; K543-Y713 HydrophobicContact CD-CE1 4.06Å; K543-Y713 WeakPolarHBondContact CD-OH 3.45Å; K543-Y713 HydrophobicContact CG-CE1 3.83Å |
| 544 | T | 89.5 | Confident | 90.8 | Very high | 18 Ų | 18 | 31.1 Ų | 31.1 | 11% | 0.11 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70 | -38.8 | -178.7 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | Y490 E540 I541 F542 A548 L585 R664 | Y490-T544 WeakPolarHBondContact OH-CB 3.44Å; Y490-T544 PolarHBondContact OH-OG1 2.69Å; E540-T544 WeakPolarHBondContact O-CB 3.41Å; E540-T544 PolarHBondContact O-N 2.71Å; E540-T544 PolarHBondContact O-OG1 3.23Å; I541-T544 PolarHBondContact O-N 3.47Å; F542-T544 PolarHBondContact O-N 3.34Å; T544-A548 WeakPolarHBondContact O-CB 3.34Å; T544-A548 PolarHBondContact O-N 3.01Å; T544-L585 HydrophobicContact CG2-CD2 4.34Å; T544-R664 VanDerWaalsContact CG2-NH2 3.34Å |
| 545 | Q | 89.9 | Confident | 90.6 | Very high | 12 Ų | 12 | 31.1 Ų | 31.1 | 6% | 0.056 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.9 | -42.6 | 174.6 | -70 | 176.7 | 7.3 | 0 | 0 | 111.8 | I541 F542 A548 L549 F714 | I541-Q545 WeakPolarHBondContact O-CG 3.45Å; I541-Q545 PolarHBondContact O-N 3.04Å; F542-Q545 PolarHBondContact O-N 3.03Å; Q545-A548 PolarHBondContact O-N 3.13Å; Q545-L549 WeakPolarHBondContact O-CB 3.44Å; Q545-L549 PolarHBondContact O-N 3.12Å; Q545-F714 HydrophobicContact CB-CZ 4.29Å |
| 546 | Y | 89.3 | Confident | 90.5 | Very high | 84 Ų | 84 | 31.4 Ų | 31.4 | 33% | 0.329 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.3 | -47.8 | 173.6 | 170.1 | -105.3 | 0 | 0 | 0 | 112.3 | F542 K543 A548 L549 K550 Y713 | F542-Y546 WeakPolarHBondContact O-CB 3.29Å; F542-Y546 PolarHBondContact O-N 3.39Å; K543-Y546 PolarHBondContact O-N 3.19Å; Y546-A548 VanDerWaalsContact C-N 3.33Å; Y546-A548 PolarHBondContact O-N 3.2Å; Y546-L549 PolarHBondContact O-N 3.01Å; Y546-K550 PolarHBondContact O-N 3.26Å; Y546-Y713 HydrophobicContact CD1-CD1 4.17Å; Y546-Y713 WeakPolarHBondContact CD2-O 3.29Å; Y546-Y713 HydrophobicContact CG-CD1 4.33Å |
| 547 | V | 88.3 | Confident | 90.4 | Very high | 59 Ų | 59 | 32.2 Ų | 32.2 | 36% | 0.358 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.9 | -40.3 | 177.5 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | K543 K550 L551 L585 | K543-V547 WeakPolarHBondContact O-CB 3.47Å; K543-V547 VanDerWaalsContact O-CG2 3.3Å; K543-V547 WeakPolarHBondContact O-CG2 3.27Å; K543-V547 PolarHBondContact O-N 2.81Å; V547-K550 PolarHBondContact O-N 3.4Å; V547-L551 HydrophobicContact CG1-CD1 3.85Å; V547-L551 HydrophobicContact CG1-CG 4.42Å; V547-L551 WeakPolarHBondContact O-CB 3.49Å; V547-L551 VanDerWaalsContact O-CG 3.28Å; V547-L551 WeakPolarHBondContact O-CG 3.39Å; V547-L551 PolarHBondContact O-N 2.67Å; V547-L585 HydrophobicContact CG1-CD1 4.4Å |
| 548 | A | 90.1 | Very high | 90 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T544 Q545 Y546 L552 L585 R664 C665 | T544-A548 WeakPolarHBondContact O-CB 3.34Å; T544-A548 PolarHBondContact O-N 3.01Å; Q545-A548 PolarHBondContact O-N 3.13Å; Y546-A548 VanDerWaalsContact C-N 3.33Å; Y546-A548 PolarHBondContact O-N 3.2Å; A548-L552 WeakPolarHBondContact O-CB 3.44Å; A548-L552 PolarHBondContact O-N 3.28Å; A548-L585 HydrophobicContact CB-CD1 3.84Å; A548-R664 HydrophobicContact CB-CB 4.4Å; A548-C665 PolarHBondContact O-SG 3.42Å |
| 549 | L | 89.3 | Confident | 89.7 | Confident | 17 Ų | 17 | 33.7 Ų | 33.7 | 9% | 0.089 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.2 | -37.4 | 177.6 | -179.3 | 57.7 | 0 | 0 | 0 | 112.8 | Q545 Y546 L552 R553 T617 | Q545-L549 WeakPolarHBondContact O-CB 3.44Å; Q545-L549 PolarHBondContact O-N 3.12Å; Y546-L549 PolarHBondContact O-N 3.01Å; L549-L552 PolarHBondContact O-N 3.35Å; L549-R553 HydrophobicContact CD1-CG 4.48Å; L549-R553 WeakPolarHBondContact O-CG 3.27Å; L549-R553 PolarHBondContact O-N 3.19Å; L549-T617 HydrophobicContact CD1-CG2 4.46Å |
| 550 | K | 88.4 | Confident | 89.5 | Confident | 79 Ų | 79 | 36.1 Ų | 36.1 | 34% | 0.343 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.2 | -54.3 | 172.6 | -172.4 | -172.1 | 171.3 | -179.3 | 0 | 109.9 | Y546 V547 L552 R553 D554 E789 | Y546-K550 PolarHBondContact O-N 3.26Å; V547-K550 PolarHBondContact O-N 3.4Å; K550-L552 PolarHBondContact O-N 2.76Å; K550-R553 CarbonylContact O-C 3.27Å; K550-R553 WeakPolarHBondContact O-CA 3.25Å; K550-R553 WeakPolarHBondContact O-CB 3.39Å; K550-R553 PolarHBondContact O-N 2.75Å; K550-D554 PolarHBondContact O-N 2.9Å; K550-E789 IonicContact NZ-OE2 3.92Å |
| 551 | L | 89.4 | Confident | 88.9 | Confident | 25 Ų | 25 | 37.1 Ų | 37.1 | 13% | 0.131 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.3 | -34.4 | 179.5 | -67.3 | 168.1 | 0 | 0 | 0 | 112.4 | V547 D554 V555 V578 H581 L582 L585 | V547-L551 HydrophobicContact CG1-CD1 3.85Å; V547-L551 HydrophobicContact CG1-CG 4.42Å; V547-L551 WeakPolarHBondContact O-CB 3.49Å; V547-L551 VanDerWaalsContact O-CG 3.28Å; V547-L551 WeakPolarHBondContact O-CG 3.39Å; V547-L551 PolarHBondContact O-N 2.67Å; L551-D554 PolarHBondContact O-N 3.44Å; L551-V555 WeakPolarHBondContact O-CG2 3.48Å; L551-V555 PolarHBondContact O-N 3.26Å; L551-V555 VanDerWaalsContact O-N 3.14Å; L551-V578 HydrophobicContact CB-CG1 4.06Å; L551-V578 HydrophobicContact CD2-CG1 3.92Å; L551-V578 WeakPolarHBondContact O-CG1 3.36Å; L551-H581 HydrophobicContact CD1-CB 3.93Å; L551-H581 HydrophobicContact CD2-CB 4.03Å; L551-L582 HydrophobicContact CB-CD2 3.47Å; L551-L582 VanDerWaalsContact CB-CD2 3.47Å; L551-L582 HydrophobicContact CB-CG 4.01Å; L551-L582 HydrophobicContact CD1-CD2 4.1Å; L551-L582 HydrophobicContact CG-CD2 4.45Å; L551-L585 HydrophobicContact CD1-CD1 4Å |
| 552 | L | 91.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.1 | -40.6 | 173.6 | -173.5 | 63.9 | 0 | 0 | 0 | 112.5 | A548 L549 K550 D554 V556 F600 L613 T617 L662 C665 | A548-L552 WeakPolarHBondContact O-CB 3.44Å; A548-L552 PolarHBondContact O-N 3.28Å; L549-L552 PolarHBondContact O-N 3.35Å; K550-L552 PolarHBondContact O-N 2.76Å; L552-D554 VanDerWaalsContact C-N 3.34Å; L552-V556 WeakPolarHBondContact O-CG2 3.45Å; L552-V556 PolarHBondContact O-N 3.1Å; L552-F600 HydrophobicContact CD1-CE1 3.77Å; L552-F600 HydrophobicContact CD1-CZ 3.76Å; L552-L613 HydrophobicContact CD1-CD1 4.32Å; L552-L613 HydrophobicContact CD1-CD2 4.36Å; L552-L613 HydrophobicContact CD2-CD1 4.17Å; L552-T617 HydrophobicContact CB-CG2 4.47Å; L552-T617 HydrophobicContact CD2-CG2 3.97Å; L552-T617 HydrophobicContact CG-CG2 3.82Å; L552-L662 HydrophobicContact CD2-CD2 4.5Å; L552-C665 HydrophobicContact CD2-CB 3.62Å |
| 553 | R | 90 | Very high | 87.5 | Confident | 57 Ų | 57 | 44 Ų | 44 | 22% | 0.215 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 171.7 | -75.3 | 169.2 | 174 | -178.9 | 1.1 | 111.7 | L549 K550 V556 K557 T617 E716 | L549-R553 HydrophobicContact CD1-CG 4.48Å; L549-R553 WeakPolarHBondContact O-CG 3.27Å; L549-R553 PolarHBondContact O-N 3.19Å; K550-R553 CarbonylContact O-C 3.27Å; K550-R553 WeakPolarHBondContact O-CA 3.25Å; K550-R553 WeakPolarHBondContact O-CB 3.39Å; K550-R553 PolarHBondContact O-N 2.75Å; R553-V556 CarbonylContact O-C 3.39Å; R553-V556 PolarHBondContact O-N 2.94Å; R553-K557 PolarHBondContact O-N 3.39Å; R553-T617 HydrophobicContact CG-CG2 4.04Å; R553-T617 PolarHBondContact NE-O 3.31Å; R553-T617 PolarHBondContact NH2-O 3.2Å; R553-T617 VanDerWaalsContact NH2-O 3.13Å; R553-E716 IonicContact CZ-OE1 2.72Å; R553-E716 IonicContact CZ-OE2 3Å; R553-E716 VanDerWaalsContact CZ-OE2 3.26Å; R553-E716 VanDerWaalsContact NH1-CD 3.25Å; R553-E716 IonicContact NH1-OE1 2.59Å; R553-E716 PolarHBondContact NH1-OE1 3.22Å; R553-E716 IonicContact NH1-OE2 3.62Å; R553-E716 PolarHBondContact NH1-OE2 3.45Å; R553-E716 IonicContact NH2-OE1 3.83Å; R553-E716 IonicContact NH2-OE2 3.64Å; R553-E716 PolarHBondContact NH2-OE2 3.45Å |
| 554 | D | 87.7 | Confident | 86.7 | Confident | 53 Ų | 53 | 48.1 Ų | 48.1 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 179.6 | -59.9 | -28.2 | 0 | 0 | 0 | 110.6 | K550 L551 L552 K557 L558 V578 | K550-D554 PolarHBondContact O-N 2.9Å; L551-D554 PolarHBondContact O-N 3.44Å; L552-D554 VanDerWaalsContact C-N 3.34Å; D554-K557 PolarHBondContact O-N 3.38Å; D554-L558 WeakPolarHBondContact O-CG 3.41Å; D554-L558 PolarHBondContact O-N 2.93Å; D554-L558 VanDerWaalsContact O-N 3.13Å; D554-V578 HydrophobicContact CB-CG1 4.36Å |
| 555 | V | 90.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | 173 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | L551 K557 L558 L559 I575 V578 L582 F600 | L551-V555 WeakPolarHBondContact O-CG2 3.48Å; L551-V555 PolarHBondContact O-N 3.26Å; L551-V555 VanDerWaalsContact O-N 3.14Å; V555-K557 VanDerWaalsContact C-N 3.3Å; V555-K557 PolarHBondContact O-N 2.75Å; V555-L558 PolarHBondContact O-N 2.98Å; V555-L559 HydrophobicContact CG1-CD1 3.83Å; V555-L559 HydrophobicContact CG1-CG 4.18Å; V555-L559 WeakPolarHBondContact O-CB 3.39Å; V555-L559 WeakPolarHBondContact O-CG 3.45Å; V555-L559 PolarHBondContact O-N 3.49Å; V555-I575 HydrophobicContact CG1-CG2 4.39Å; V555-V578 HydrophobicContact CG2-CB 3.79Å; V555-V578 HydrophobicContact CG2-CG1 3.39Å; V555-L582 HydrophobicContact CG2-CD1 4.24Å; V555-F600 HydrophobicContact CB-CD1 4.41Å; V555-F600 HydrophobicContact CB-CE1 4.09Å; V555-F600 HydrophobicContact CB-CZ 4.33Å; V555-F600 HydrophobicContact CG1-CB 4.48Å; V555-F600 HydrophobicContact CG1-CD1 3.51Å; V555-F600 HydrophobicContact CG1-CD2 4.3Å; V555-F600 HydrophobicContact CG1-CE1 3.68Å; V555-F600 HydrophobicContact CG1-CE2 4.45Å; V555-F600 HydrophobicContact CG1-CG 3.85Å; V555-F600 HydrophobicContact CG1-CZ 4.16Å; V555-F600 HydrophobicContact CG2-CZ 4.32Å |
| 556 | V | 89.8 | Confident | 85.8 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -34.8 | 179 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | L552 R553 T560 W610 L613 V614 T617 | L552-V556 WeakPolarHBondContact O-CG2 3.45Å; L552-V556 PolarHBondContact O-N 3.1Å; R553-V556 CarbonylContact O-C 3.39Å; R553-V556 PolarHBondContact O-N 2.94Å; V556-T560 WeakPolarHBondContact O-CB 3.47Å; V556-T560 PolarHBondContact O-N 3.35Å; V556-T560 PolarHBondContact O-OG1 3.26Å; V556-W610 HydrophobicContact CG1-CH2 4.16Å; V556-W610 WeakPolarHBondContact O-CH2 3.44Å; V556-L613 HydrophobicContact CG2-CD2 3.78Å; V556-L613 HydrophobicContact CG2-CG 4.14Å; V556-V614 HydrophobicContact CG1-CG2 3.87Å; V556-T617 HydrophobicContact CG2-CG2 4.13Å |
| 557 | K | 88.8 | Confident | 85.4 | Confident | 109 Ų | 109 | 56.8 Ų | 56.8 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.6 | -55.1 | 173.3 | -169.2 | -178 | -179.6 | -172.1 | 0 | 110.8 | R553 D554 V555 L559 T560 D561 N793 | R553-K557 PolarHBondContact O-N 3.39Å; D554-K557 PolarHBondContact O-N 3.38Å; V555-K557 VanDerWaalsContact C-N 3.3Å; V555-K557 PolarHBondContact O-N 2.75Å; K557-L559 PolarHBondContact O-N 3.41Å; K557-L559 VanDerWaalsContact O-N 3.16Å; K557-T560 WeakPolarHBondContact O-CA 3.48Å; K557-T560 VanDerWaalsContact O-CB 3.3Å; K557-T560 WeakPolarHBondContact O-CB 3.25Å; K557-T560 PolarHBondContact O-N 2.88Å; K557-D561 PolarHBondContact O-N 3.44Å; K557-D561 VanDerWaalsContact O-N 3.09Å; K557-N793 PolarHBondContact NZ-OD1 2.96Å |
| 558 | L | 87.7 | Confident | 85.3 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.5 | -32.8 | 179.1 | -65.3 | 172.6 | 0 | 0 | 0 | 113.3 | D554 V555 Q562 V571 E574 I575 | D554-L558 WeakPolarHBondContact O-CG 3.41Å; D554-L558 PolarHBondContact O-N 2.93Å; D554-L558 VanDerWaalsContact O-N 3.13Å; V555-L558 PolarHBondContact O-N 2.98Å; L558-Q562 WeakPolarHBondContact O-CG 3.35Å; L558-V571 HydrophobicContact CB-CG1 4.26Å; L558-V571 HydrophobicContact CD2-CG1 4.37Å; L558-E574 HydrophobicContact CD1-CB 4.04Å; L558-E574 WeakPolarHBondContact CD2-OE2 3.43Å; L558-I575 HydrophobicContact CB-CD1 4.13Å; L558-I575 HydrophobicContact CB-CG1 3.81Å; L558-I575 HydrophobicContact CD1-CG1 3.87Å; L558-I575 HydrophobicContact CG-CG1 4.5Å |
| 559 | L | 88 | Confident | 84.9 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -80.3 | -22 | 173.5 | -68.9 | 177.7 | 0 | 0 | 0 | 114 | V555 K557 R563 I567 I575 F600 H604 W610 | V555-L559 HydrophobicContact CG1-CD1 3.83Å; V555-L559 HydrophobicContact CG1-CG 4.18Å; V555-L559 WeakPolarHBondContact O-CB 3.39Å; V555-L559 WeakPolarHBondContact O-CG 3.45Å; V555-L559 PolarHBondContact O-N 3.49Å; K557-L559 PolarHBondContact O-N 3.41Å; K557-L559 VanDerWaalsContact O-N 3.16Å; L559-R563 PolarHBondContact O-N 3.22Å; L559-I567 HydrophobicContact CD2-CD1 3.77Å; L559-I575 HydrophobicContact CD2-CD1 3.77Å; L559-I575 HydrophobicContact CG-CD1 4.32Å; L559-F600 HydrophobicContact CD1-CB 4.31Å; L559-F600 HydrophobicContact CD1-CD1 4.21Å; L559-H604 HydrophobicContact CD2-CB 4.23Å; L559-W610 HydrophobicContact CB-CH2 3.87Å; L559-W610 HydrophobicContact CB-CZ3 3.63Å; L559-W610 HydrophobicContact CD1-CZ3 4.38Å |
| 560 | T | 86 | Confident | 84.6 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.3 | -44.8 | 174.4 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | V556 K557 Q562 R563 W610 | V556-T560 WeakPolarHBondContact O-CB 3.47Å; V556-T560 PolarHBondContact O-N 3.35Å; V556-T560 PolarHBondContact O-OG1 3.26Å; K557-T560 WeakPolarHBondContact O-CA 3.48Å; K557-T560 VanDerWaalsContact O-CB 3.3Å; K557-T560 WeakPolarHBondContact O-CB 3.25Å; K557-T560 PolarHBondContact O-N 2.88Å; T560-Q562 PolarHBondContact O-N 3.2Å; T560-Q562 VanDerWaalsContact O-N 3.17Å; T560-R563 WeakPolarHBondContact O-CB 3.47Å; T560-R563 PolarHBondContact O-N 2.65Å; T560-W610 HydrophobicContact CG2-CZ2 4.46Å; T560-W610 WeakPolarHBondContact OG1-CH2 3.41Å; T560-W610 VanDerWaalsContact OG1-CZ2 3.28Å; T560-W610 WeakPolarHBondContact OG1-CZ2 3.5Å |
| 561 | D | 77.9 | Confident | 84.4 | Confident | 101 Ų | 101 | 65.3 Ų | 65.3 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -12.8 | -178.8 | -54.2 | -25.2 | 0 | 0 | 0 | 112.3 | K557 | K557-D561 PolarHBondContact O-N 3.44Å; K557-D561 VanDerWaalsContact O-N 3.09Å |
| 562 | Q | 80.5 | Confident | 84.3 | Confident | 41 Ų | 41 | 66.7 Ų | 66.7 | 19% | 0.192 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 23.8 | 179.5 | -58.3 | -57 | -45.2 | 0 | 0 | 112.8 | L558 T560 A565 I567 V571 H604 | L558-Q562 WeakPolarHBondContact O-CG 3.35Å; T560-Q562 PolarHBondContact O-N 3.2Å; T560-Q562 VanDerWaalsContact O-N 3.17Å; Q562-A565 PolarHBondContact O-N 3.01Å; Q562-I567 HydrophobicContact CB-CG1 4.35Å; Q562-V571 HydrophobicContact CG-CG1 3.96Å; Q562-H604 PolarHBondContact O-NE2 3.21Å |
| 563 | R | 76.7 | Confident | 84 | Confident | 103 Ų | 103 | 71 Ų | 71 | 39% | 0.389 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 137.2 | -178.4 | -164.4 | -153.6 | -179.4 | 136 | 21.1 | 111.4 | L559 T560 A565 | L559-R563 PolarHBondContact O-N 3.22Å; T560-R563 WeakPolarHBondContact O-CB 3.47Å; T560-R563 PolarHBondContact O-N 2.65Å; R563-A565 PolarHBondContact O-N 2.83Å |
| 564 | D | 72.5 | Confident | 83.8 | Confident | 139 Ų | 139 | 73.7 Ų | 73.7 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 6.1 | 176.4 | -52.6 | -47.9 | 0 | 0 | 0 | 114.7 | ||
| 565 | A | 78.5 | Confident | 83.8 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 40% | 0.397 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -111.2 | 167.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q562 R563 H604 | Q562-A565 PolarHBondContact O-N 3.01Å; R563-A565 PolarHBondContact O-N 2.83Å; A565-H604 PolarHBondContact O-CE1 3.37Å; A565-H604 VanDerWaalsContact O-CE1 3.3Å |
| 566 | K | 80.3 | Confident | 83.7 | Confident | 203 Ų | 203 | 73.1 Ų | 73.1 | 88% | 0.883 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 120 | 168.9 | -74.9 | -178 | 178.8 | 175.2 | 0 | 109.6 | P568 | K566-P568 WeakPolarHBondContact O-CD 3.43Š|
| 567 | I | 82.7 | Confident | 83.5 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 23% | 0.231 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 121.8 | 179.4 | -52.8 | 175.2 | 0 | 0 | 0 | 110.3 | L559 Q562 V571 N572 I575 | L559-I567 HydrophobicContact CD2-CD1 3.77Å; Q562-I567 HydrophobicContact CB-CG1 4.35Å; I567-V571 HydrophobicContact CG2-CB 4.1Å; I567-V571 HydrophobicContact CG2-CG1 4.15Å; I567-N572 HydrophobicContact CG2-CB 3.9Å; I567-I575 HydrophobicContact CD1-CD1 4.39Å; I567-I575 HydrophobicContact CG2-CD1 4.06Å |
| 568 | P | 85.7 | Confident | 83.5 | Confident | 53 Ų | 53 | 69.7 Ų | 69.7 | 34% | 0.344 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 154.8 | 176.4 | -25.5 | 34.7 | 0 | 0 | 0 | 113 | K566 E570 V571 N572 | K566-P568 WeakPolarHBondContact O-CD 3.43Å; P568-E570 PolarHBondContact O-N 3.08Å; P568-V571 HydrophobicContact CB-CG2 4.29Å; P568-V571 HydrophobicContact CG-CG2 4.29Å; P568-V571 PolarHBondContact O-N 3.46Å; P568-N572 VanDerWaalsContact O-CB 3.31Å; P568-N572 WeakPolarHBondContact O-CB 3.5Å; P568-N572 PolarHBondContact O-N 3.46Å |
| 569 | S | 81.5 | Confident | 83.6 | Confident | 97 Ų | 97 | 68.3 Ų | 68.3 | 68% | 0.678 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.6 | -34.5 | -177.5 | -169.2 | 0 | 0 | 0 | 0 | 113.2 | T573 | S569-T573 PolarHBondContact O-N 3.21Å; S569-T573 PolarHBondContact O-OG1 2.91Å |
| 570 | E | 83 | Confident | 83.5 | Confident | 158 Ų | 158 | 72.9 Ų | 72.9 | 74% | 0.738 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -68.3 | -55.8 | 177.9 | -66.3 | 167.8 | 179.2 | 0 | 0 | 110.9 | P568 N572 T573 E574 | P568-E570 PolarHBondContact O-N 3.08Å; E570-N572 VanDerWaalsContact C-N 3.29Å; E570-N572 PolarHBondContact O-N 3.2Å; E570-T573 WeakPolarHBondContact O-CA 3.25Å; E570-T573 VanDerWaalsContact O-CB 3.25Å; E570-T573 WeakPolarHBondContact O-CB 3.3Å; E570-T573 PolarHBondContact O-N 3.31Å; E570-E574 PolarHBondContact O-N 2.96Å |
| 571 | V | 84.9 | Confident | 83.4 | Confident | 27 Ų | 27 | 72.8 Ų | 72.8 | 16% | 0.164 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.3 | -38.5 | 176.9 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | L558 Q562 I567 P568 T573 E574 I575 | L558-V571 HydrophobicContact CB-CG1 4.26Å; L558-V571 HydrophobicContact CD2-CG1 4.37Å; Q562-V571 HydrophobicContact CG-CG1 3.96Å; I567-V571 HydrophobicContact CG2-CB 4.1Å; I567-V571 HydrophobicContact CG2-CG1 4.15Å; P568-V571 HydrophobicContact CB-CG2 4.29Å; P568-V571 HydrophobicContact CG-CG2 4.29Å; P568-V571 PolarHBondContact O-N 3.46Å; V571-T573 VanDerWaalsContact C-N 3.28Å; V571-T573 PolarHBondContact O-N 3.13Å; V571-E574 PolarHBondContact O-N 3.08Å; V571-I575 HydrophobicContact CG1-CD1 3.94Å; V571-I575 HydrophobicContact CG1-CG1 4.42Å; V571-I575 WeakPolarHBondContact O-CB 3.36Å; V571-I575 VanDerWaalsContact O-CG1 3.3Å; V571-I575 WeakPolarHBondContact O-CG1 3.46Å; V571-I575 PolarHBondContact O-N 2.93Å |
| 572 | N | 86.4 | Confident | 84 | Confident | 55 Ų | 55 | 68 Ų | 68 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -33 | 172.5 | 167.1 | 82.6 | 0 | 0 | 0 | 112.3 | I567 P568 E570 M576 | I567-N572 HydrophobicContact CG2-CB 3.9Å; P568-N572 VanDerWaalsContact O-CB 3.31Å; P568-N572 WeakPolarHBondContact O-CB 3.5Å; P568-N572 PolarHBondContact O-N 3.46Å; E570-N572 VanDerWaalsContact C-N 3.29Å; E570-N572 PolarHBondContact O-N 3.2Å; N572-M576 WeakPolarHBondContact O-CB 3.33Å; N572-M576 VanDerWaalsContact O-CG 3.23Å; N572-M576 WeakPolarHBondContact O-CG 3.48Å; N572-M576 PolarHBondContact O-N 3.31Å |
| 573 | T | 84.8 | Confident | 84.4 | Confident | 90 Ų | 90 | 66.9 Ų | 66.9 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -69.1 | -41 | 174.6 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | S569 E570 V571 M576 G577 | S569-T573 PolarHBondContact O-N 3.21Å; S569-T573 PolarHBondContact O-OG1 2.91Å; E570-T573 WeakPolarHBondContact O-CA 3.25Å; E570-T573 VanDerWaalsContact O-CB 3.25Å; E570-T573 WeakPolarHBondContact O-CB 3.3Å; E570-T573 PolarHBondContact O-N 3.31Å; V571-T573 VanDerWaalsContact C-N 3.28Å; V571-T573 PolarHBondContact O-N 3.13Å; T573-M576 PolarHBondContact O-N 3.38Å; T573-G577 PolarHBondContact O-N 3.02Å |
| 574 | E | 85.5 | Confident | 84.7 | Confident | 114 Ų | 114 | 66.7 Ų | 66.7 | 53% | 0.533 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63 | -50 | 173.2 | -63.4 | -170.1 | 164 | 0 | 0 | 112 | L558 E570 V571 M576 G577 V578 | L558-E574 HydrophobicContact CD1-CB 4.04Å; L558-E574 WeakPolarHBondContact CD2-OE2 3.43Å; E570-E574 PolarHBondContact O-N 2.96Å; V571-E574 PolarHBondContact O-N 3.08Å; E574-M576 VanDerWaalsContact C-N 3.28Å; E574-M576 PolarHBondContact O-N 3.11Å; E574-G577 WeakPolarHBondContact O-CA 3.42Å; E574-G577 PolarHBondContact O-N 2.75Å; E574-V578 WeakPolarHBondContact O-CG2 3.25Å; E574-V578 PolarHBondContact O-N 3.28Å |
| 575 | I | 88.5 | Confident | 85.4 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.7 | -44.8 | 175.6 | -71.4 | 166.4 | 0 | 0 | 0 | 110.5 | V555 L558 L559 I567 V571 G577 V578 I579 | V555-I575 HydrophobicContact CG1-CG2 4.39Å; L558-I575 HydrophobicContact CB-CD1 4.13Å; L558-I575 HydrophobicContact CB-CG1 3.81Å; L558-I575 HydrophobicContact CD1-CG1 3.87Å; L558-I575 HydrophobicContact CG-CG1 4.5Å; L559-I575 HydrophobicContact CD2-CD1 3.77Å; L559-I575 HydrophobicContact CG-CD1 4.32Å; I567-I575 HydrophobicContact CD1-CD1 4.39Å; I567-I575 HydrophobicContact CG2-CD1 4.06Å; V571-I575 HydrophobicContact CG1-CD1 3.94Å; V571-I575 HydrophobicContact CG1-CG1 4.42Å; V571-I575 WeakPolarHBondContact O-CB 3.36Å; V571-I575 VanDerWaalsContact O-CG1 3.3Å; V571-I575 WeakPolarHBondContact O-CG1 3.46Å; V571-I575 PolarHBondContact O-N 2.93Å; I575-G577 VanDerWaalsContact C-N 3.33Å; I575-G577 PolarHBondContact O-N 2.8Å; I575-V578 PolarHBondContact O-N 3.19Å; I575-I579 HydrophobicContact CG2-CD1 3.7Å; I575-I579 HydrophobicContact CG2-CG1 4.38Å; I575-I579 WeakPolarHBondContact O-CB 3.46Å; I575-I579 VanDerWaalsContact O-CG1 3.26Å; I575-I579 WeakPolarHBondContact O-CG1 3.45Å; I575-I579 PolarHBondContact O-N 3.45Å |
| 576 | M | 89.1 | Confident | 85.9 | Confident | 35 Ų | 35 | 59.3 Ų | 59.3 | 17% | 0.172 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -35.9 | 175.7 | -75.8 | -58.7 | -49 | 0 | 0 | 112.8 | N572 T573 E574 I579 Q580 V593 K597 | N572-M576 WeakPolarHBondContact O-CB 3.33Å; N572-M576 VanDerWaalsContact O-CG 3.23Å; N572-M576 WeakPolarHBondContact O-CG 3.48Å; N572-M576 PolarHBondContact O-N 3.31Å; T573-M576 PolarHBondContact O-N 3.38Å; E574-M576 VanDerWaalsContact C-N 3.28Å; E574-M576 PolarHBondContact O-N 3.11Å; M576-I579 PolarHBondContact O-N 2.88Å; M576-I579 HydrophobicContact SD-CD1 4.23Å; M576-Q580 WeakPolarHBondContact O-CG 3.28Å; M576-Q580 PolarHBondContact O-N 3.1Å; M576-V593 HydrophobicContact CE-CG1 3.65Å; M576-K597 HydrophobicContact CE-CD 4.47Å; M576-K597 HydrophobicContact SD-CB 4.34Å; M576-K597 HydrophobicContact SD-CD 3.7Å; M576-K597 HydrophobicContact SD-CG 3.96Å |
| 577 | G | 84.7 | Confident | 86 | Confident | 26 Ų | 26 | 50.7 Ų | 50.7 | 27% | 0.268 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T573 E574 I575 Q580 H581 | T573-G577 PolarHBondContact O-N 3.02Å; E574-G577 WeakPolarHBondContact O-CA 3.42Å; E574-G577 PolarHBondContact O-N 2.75Å; I575-G577 VanDerWaalsContact C-N 3.33Å; I575-G577 PolarHBondContact O-N 2.8Å; G577-Q580 PolarHBondContact O-N 3.49Å; G577-H581 PolarHBondContact O-N 3.05Å; G577-H581 VanDerWaalsContact O-N 3.11Å; G577-H581 PolarHBondContact O-ND1 3.46Å |
| 578 | V | 88.1 | Confident | 85.5 | Confident | 21 Ų | 21 | 58.7 Ų | 58.7 | 13% | 0.127 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.8 | -38 | 175.3 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | L551 D554 V555 E574 I575 Q580 H581 L582 | L551-V578 HydrophobicContact CB-CG1 4.06Å; L551-V578 HydrophobicContact CD2-CG1 3.92Å; L551-V578 WeakPolarHBondContact O-CG1 3.36Å; D554-V578 HydrophobicContact CB-CG1 4.36Å; V555-V578 HydrophobicContact CG2-CB 3.79Å; V555-V578 HydrophobicContact CG2-CG1 3.39Å; E574-V578 WeakPolarHBondContact O-CG2 3.25Å; E574-V578 PolarHBondContact O-N 3.28Å; I575-V578 PolarHBondContact O-N 3.19Å; V578-Q580 PolarHBondContact O-N 3.05Å; V578-H581 CarbonylContact O-C 3.55Å; V578-H581 WeakPolarHBondContact O-CA 3.28Å; V578-H581 WeakPolarHBondContact O-CB 3.48Å; V578-H581 PolarHBondContact O-N 3.17Å; V578-H581 VanDerWaalsContact O-N 3.1Å; V578-L582 PolarHBondContact O-N 3.21Å |
| 579 | I | 90.5 | Very high | 84.8 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 172.7 | -73.1 | 168.8 | 0 | 0 | 0 | 111.7 | I575 M576 H581 L582 S583 V593 L596 K597 F600 | I575-I579 HydrophobicContact CG2-CD1 3.7Å; I575-I579 HydrophobicContact CG2-CG1 4.38Å; I575-I579 WeakPolarHBondContact O-CB 3.46Å; I575-I579 VanDerWaalsContact O-CG1 3.26Å; I575-I579 WeakPolarHBondContact O-CG1 3.45Å; I575-I579 PolarHBondContact O-N 3.45Å; M576-I579 PolarHBondContact O-N 2.88Å; M576-I579 HydrophobicContact SD-CD1 4.23Å; I579-H581 VanDerWaalsContact C-N 3.28Å; I579-H581 PolarHBondContact O-N 2.93Å; I579-L582 PolarHBondContact O-N 3.19Å; I579-S583 PolarHBondContact O-N 3.43Å; I579-V593 HydrophobicContact CG2-CG1 4.11Å; I579-L596 HydrophobicContact CG2-CB 3.71Å; I579-L596 HydrophobicContact CG2-CD1 4.36Å; I579-K597 HydrophobicContact CD1-CB 4.5Å; I579-F600 HydrophobicContact CD1-CB 4.47Å; I579-F600 HydrophobicContact CD1-CD2 3.78Å; I579-F600 HydrophobicContact CD1-CG 4.49Å; I579-F600 HydrophobicContact CG1-CD2 3.7Å; I579-F600 HydrophobicContact CG1-CE2 3.99Å |
| 580 | Q | 86.7 | Confident | 84.3 | Confident | 98 Ų | 98 | 63.5 Ų | 63.5 | 46% | 0.458 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -36.8 | 173.4 | -74.4 | 174.6 | 16.7 | 0 | 0 | 111.6 | M576 G577 V578 S583 V593 | M576-Q580 WeakPolarHBondContact O-CG 3.28Å; M576-Q580 PolarHBondContact O-N 3.1Å; G577-Q580 PolarHBondContact O-N 3.49Å; V578-Q580 PolarHBondContact O-N 3.05Å; Q580-S583 PolarHBondContact O-N 3.43Å; Q580-S583 PolarHBondContact O-OG 2.97Å; Q580-V593 HydrophobicContact CG-CG2 4.48Å |
| 581 | H | 83.7 | Confident | 84.4 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68 | -39.4 | 172.9 | -71.6 | 146.3 | 0 | 0 | 0 | 113.6 | L551 G577 V578 I579 S583 I584 K1192 | L551-H581 HydrophobicContact CD1-CB 3.93Å; L551-H581 HydrophobicContact CD2-CB 4.03Å; G577-H581 PolarHBondContact O-N 3.05Å; G577-H581 VanDerWaalsContact O-N 3.11Å; G577-H581 PolarHBondContact O-ND1 3.46Å; V578-H581 CarbonylContact O-C 3.55Å; V578-H581 WeakPolarHBondContact O-CA 3.28Å; V578-H581 WeakPolarHBondContact O-CB 3.48Å; V578-H581 PolarHBondContact O-N 3.17Å; V578-H581 VanDerWaalsContact O-N 3.1Å; I579-H581 VanDerWaalsContact C-N 3.28Å; I579-H581 PolarHBondContact O-N 2.93Å; H581-S583 VanDerWaalsContact C-N 3.35Å; H581-I584 PolarHBondContact O-N 3.38Å; H581-K1192 PolarHBondContact CD2-NZ 3.06Å; H581-K1192 PolarHBondContact NE2-NZ 3.01Å |
| 582 | L | 89.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.9 | -35.7 | 172.4 | -70.3 | 176.4 | 0 | 0 | 0 | 112.6 | L551 V555 V578 I579 I584 L585 L596 F600 L661 | L551-L582 HydrophobicContact CB-CD2 3.47Å; L551-L582 VanDerWaalsContact CB-CD2 3.47Å; L551-L582 HydrophobicContact CB-CG 4.01Å; L551-L582 HydrophobicContact CD1-CD2 4.1Å; L551-L582 HydrophobicContact CG-CD2 4.45Å; V555-L582 HydrophobicContact CG2-CD1 4.24Å; V578-L582 PolarHBondContact O-N 3.21Å; I579-L582 PolarHBondContact O-N 3.19Å; L582-I584 PolarHBondContact O-N 3.41Å; L582-L585 HydrophobicContact CD2-CD1 4.45Å; L582-L585 WeakPolarHBondContact O-CB 3.37Å; L582-L585 PolarHBondContact O-N 3.13Å; L582-L596 HydrophobicContact CB-CD1 3.84Å; L582-F600 HydrophobicContact CD1-CE2 3.79Å; L582-F600 HydrophobicContact CD1-CZ 3.74Å; L582-L661 HydrophobicContact CD1-CD2 4.44Å; L582-L661 HydrophobicContact CD2-CD1 3.87Å |
| 583 | S | 88.4 | Confident | 84.6 | Confident | 19 Ų | 19 | 59 Ų | 59 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.2 | -25.3 | 179.7 | 77.2 | 0 | 0 | 0 | 0 | 113.9 | I579 Q580 H581 L585 I586 | I579-S583 PolarHBondContact O-N 3.43Å; Q580-S583 PolarHBondContact O-N 3.43Å; Q580-S583 PolarHBondContact O-OG 2.97Å; H581-S583 VanDerWaalsContact C-N 3.35Å; S583-L585 VanDerWaalsContact C-N 3.28Å; S583-L585 PolarHBondContact O-N 3.4Å; S583-I586 WeakPolarHBondContact O-CG1 3.46Å |
| 584 | I | 84.8 | Confident | 84.8 | Confident | 99 Ų | 99 | 60 Ų | 60 | 51% | 0.508 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -21.4 | 175.4 | -64.2 | 166.3 | 0 | 0 | 0 | 111.5 | H581 L582 I586 | H581-I584 PolarHBondContact O-N 3.38Å; L582-I584 PolarHBondContact O-N 3.41Å; I584-I586 VanDerWaalsContact C-N 3.34Å |
| 585 | L | 86.3 | Confident | 85.1 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 15% | 0.152 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 1 | -178.7 | -55.8 | -179.3 | 0 | 0 | 0 | 113.5 | T544 V547 A548 L551 L582 S583 R664 | T544-L585 HydrophobicContact CG2-CD2 4.34Å; V547-L585 HydrophobicContact CG1-CD1 4.4Å; A548-L585 HydrophobicContact CB-CD1 3.84Å; L551-L585 HydrophobicContact CD1-CD1 4Å; L582-L585 HydrophobicContact CD2-CD1 4.45Å; L582-L585 WeakPolarHBondContact O-CB 3.37Å; L582-L585 PolarHBondContact O-N 3.13Å; S583-L585 VanDerWaalsContact C-N 3.28Å; S583-L585 PolarHBondContact O-N 3.4Å; L585-R664 WeakPolarHBondContact O-CD 3.44Å; L585-R664 PolarHBondContact O-NH1 3.02Å |
| 586 | I | 88.7 | Confident | 85.3 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -119.8 | 164.8 | 177.4 | 58.4 | 176.2 | 0 | 0 | 0 | 110.3 | S583 I584 K588 L596 V657 I660 L661 | S583-I586 WeakPolarHBondContact O-CG1 3.46Å; I584-I586 VanDerWaalsContact C-N 3.34Å; I586-K588 PolarHBondContact O-N 3.33Å; I586-L596 HydrophobicContact CD1-CD1 4.08Å; I586-L596 HydrophobicContact CD1-CG 4.38Å; I586-V657 HydrophobicContact CD1-CG1 3.68Å; I586-V657 HydrophobicContact CD1-CG2 4.36Å; I586-I660 HydrophobicContact CB-CG2 4.21Å; I586-I660 HydrophobicContact CG2-CB 4.42Å; I586-I660 HydrophobicContact CG2-CG2 3.76Å; I586-L661 HydrophobicContact CG2-CB 4.48Å |
| 587 | P | 83.5 | Confident | 85.4 | Confident | 22 Ų | 22 | 56.7 Ų | 56.7 | 14% | 0.143 | 28% | 0.283 | C | S | . | . | trans | -55.4 | 139.4 | 176.3 | -30.5 | 39.8 | 0 | 0 | 0 | 111.7 | D496 L499 S589 I660 | D496-P587 WeakPolarHBondContact OD1-CG 3.28Å; D496-P587 VanDerWaalsContact OD2-CB 3.29Å; D496-P587 WeakPolarHBondContact OD2-CB 3.39Å; D496-P587 WeakPolarHBondContact OD2-CG 3.49Å; L499-P587 HydrophobicContact CD1-CG 3.77Å; P587-S589 PolarHBondContact O-N 3.05Å; P587-I660 HydrophobicContact CG-CD1 4.1Å | ||
| 588 | K | 71.2 | Confident | 85.8 | Confident | 214 Ų | 214 | 59.8 Ų | 59.8 | 93% | 0.93 | 29% | 0.287 | S | S | * | . | trans | -62.3 | 112 | -178 | -71 | -173.2 | 177.3 | -175.9 | 0 | 110.1 | I586 | I586-K588 PolarHBondContact O-N 3.33Š| ||
| 589 | S | 71.4 | Confident | 86 | Confident | 50 Ų | 50 | 58.9 Ų | 58.9 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | trans | -135 | 137.3 | 169.4 | 167.4 | 0 | 0 | 0 | 0 | 107.6 | P587 K591 S592 | P587-S589 PolarHBondContact O-N 3.05Å; S589-K591 PolarHBondContact O-N 3.21Å; S589-S592 WeakPolarHBondContact O-CB 3.11Å; S589-S592 PolarHBondContact O-N 3.22Å; S589-S592 PolarHBondContact O-OG 2.97Å | ||
| 590 | E | 70.2 | Confident | 86.1 | Confident | 200 Ų | 200 | 58.9 Ų | 58.9 | 94% | 0.935 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -36.6 | -178.2 | -60.3 | 178 | 158.2 | 0 | 0 | 111.4 | S592 | E590-S592 VanDerWaalsContact C-N 3.33Å; E590-S592 PolarHBondContact O-N 3.14Å |
| 591 | K | 85.5 | Confident | 86.3 | Confident | 95 Ų | 95 | 57.8 Ų | 57.8 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 5.3 | 178.2 | -58.8 | -168.3 | 178.7 | -171.2 | 0 | 114.4 | S589 V593 E594 H595 | S589-K591 PolarHBondContact O-N 3.21Å; K591-V593 PolarHBondContact O-N 2.64Å; K591-E594 WeakPolarHBondContact O-CB 3.23Å; K591-E594 PolarHBondContact O-N 3.16Å; K591-E594 VanDerWaalsContact O-N 3.16Å; K591-H595 WeakPolarHBondContact O-CB 3.41Å; K591-H595 VanDerWaalsContact O-CG 3.26Å; K591-H595 PolarHBondContact O-N 3.39Å |
| 592 | S | 86.6 | Confident | 86.6 | Confident | 11 Ų | 11 | 57.4 Ų | 57.4 | 8% | 0.077 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.2 | -46.6 | -178.9 | 55.7 | 0 | 0 | 0 | 0 | 113 | S589 E590 L596 | S589-S592 WeakPolarHBondContact O-CB 3.11Å; S589-S592 PolarHBondContact O-N 3.22Å; S589-S592 PolarHBondContact O-OG 2.97Å; E590-S592 VanDerWaalsContact C-N 3.33Å; E590-S592 PolarHBondContact O-N 3.14Å; S592-L596 WeakPolarHBondContact O-CG 3.27Å; S592-L596 PolarHBondContact O-N 3.44Å |
| 593 | V | 88.9 | Confident | 86.6 | Confident | 39 Ų | 39 | 57.4 Ų | 57.4 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 176.8 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | M576 I579 Q580 K591 L596 K597 | M576-V593 HydrophobicContact CE-CG1 3.65Å; I579-V593 HydrophobicContact CG2-CG1 4.11Å; Q580-V593 HydrophobicContact CG-CG2 4.48Å; K591-V593 PolarHBondContact O-N 2.64Å; V593-L596 PolarHBondContact O-N 2.85Å; V593-K597 WeakPolarHBondContact O-CB 3.06Å; V593-K597 PolarHBondContact O-N 2.96Å |
| 594 | E | 89.5 | Confident | 86.6 | Confident | 111 Ų | 111 | 58.4 Ų | 58.4 | 52% | 0.519 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 177.9 | -171.4 | -166.1 | 173.7 | 0 | 0 | 111.5 | K591 L596 K597 R598 | K591-E594 WeakPolarHBondContact O-CB 3.23Å; K591-E594 PolarHBondContact O-N 3.16Å; K591-E594 VanDerWaalsContact O-N 3.16Å; E594-L596 PolarHBondContact O-N 3.09Å; E594-K597 PolarHBondContact O-N 2.66Å; E594-R598 WeakPolarHBondContact O-CB 3.49Å; E594-R598 PolarHBondContact O-N 3.19Å |
| 595 | H | 91.7 | Very high | 86.7 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 2% | 0.023 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 175.6 | -69.6 | -17.9 | 0 | 0 | 0 | 111.9 | K591 R598 F599 Y654 V657 | K591-H595 WeakPolarHBondContact O-CB 3.41Å; K591-H595 VanDerWaalsContact O-CG 3.26Å; K591-H595 PolarHBondContact O-N 3.39Å; H595-R598 PolarHBondContact O-N 2.89Å; H595-F599 PolarHBondContact O-N 2.98Å; H595-Y654 HydrophobicContact CB-CD2 3.95Å; H595-Y654 VanDerWaalsContact O-CE2 3.29Å; H595-Y654 WeakPolarHBondContact O-CE2 3.26Å; H595-V657 HydrophobicContact CB-CB 4.18Å; H595-V657 HydrophobicContact CB-CG1 3.89Å; H595-V657 HydrophobicContact CB-CG2 4.5Å |
| 596 | L | 92.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 174.9 | -71 | -176.9 | 0 | 0 | 0 | 112.3 | I579 L582 I586 S592 V593 E594 R598 F599 F600 V657 L661 | I579-L596 HydrophobicContact CG2-CB 3.71Å; I579-L596 HydrophobicContact CG2-CD1 4.36Å; L582-L596 HydrophobicContact CB-CD1 3.84Å; I586-L596 HydrophobicContact CD1-CD1 4.08Å; I586-L596 HydrophobicContact CD1-CG 4.38Å; S592-L596 WeakPolarHBondContact O-CG 3.27Å; S592-L596 PolarHBondContact O-N 3.44Å; V593-L596 PolarHBondContact O-N 2.85Å; E594-L596 PolarHBondContact O-N 3.09Å; L596-R598 VanDerWaalsContact C-N 3.34Å; L596-R598 PolarHBondContact O-N 2.96Å; L596-F599 PolarHBondContact O-N 3.27Å; L596-F600 HydrophobicContact CB-CE2 4.5Å; L596-F600 WeakPolarHBondContact O-CD2 3.38Å; L596-F600 PolarHBondContact O-N 3Å; L596-V657 HydrophobicContact CD2-CG1 3.83Å; L596-V657 HydrophobicContact CG-CG1 4.05Å; L596-L661 HydrophobicContact CD2-CB 4.46Å; L596-L661 HydrophobicContact CD2-CD2 3.58Å |
| 597 | K | 92.1 | Very high | 86.8 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 172.9 | -172.1 | -177.8 | -174.4 | 177.3 | 0 | 111.6 | M576 I579 V593 E594 F599 F600 N601 | M576-K597 HydrophobicContact CE-CD 4.47Å; M576-K597 HydrophobicContact SD-CB 4.34Å; M576-K597 HydrophobicContact SD-CD 3.7Å; M576-K597 HydrophobicContact SD-CG 3.96Å; I579-K597 HydrophobicContact CD1-CB 4.5Å; V593-K597 WeakPolarHBondContact O-CB 3.06Å; V593-K597 PolarHBondContact O-N 2.96Å; E594-K597 PolarHBondContact O-N 2.66Å; K597-F599 VanDerWaalsContact C-N 3.31Å; K597-F599 PolarHBondContact O-N 3.15Å; K597-F600 PolarHBondContact O-N 3.34Å; K597-N601 WeakPolarHBondContact O-CB 3.46Å; K597-N601 VanDerWaalsContact O-CG 3.26Å; K597-N601 PolarHBondContact O-N 3.38Å; K597-N601 PolarHBondContact O-OD1 3.08Å |
| 598 | R | 91.7 | Very high | 87.2 | Confident | 91 Ų | 91 | 68.3 Ų | 68.3 | 34% | 0.343 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.7 | -41.7 | 174.6 | -176.1 | 179.5 | 179.4 | -147.5 | -0.5 | 111.9 | E594 H595 L596 Q602 Q651 Y654 | E594-R598 WeakPolarHBondContact O-CB 3.49Å; E594-R598 PolarHBondContact O-N 3.19Å; H595-R598 PolarHBondContact O-N 2.89Å; L596-R598 VanDerWaalsContact C-N 3.34Å; L596-R598 PolarHBondContact O-N 2.96Å; R598-Q602 WeakPolarHBondContact O-CG 3.27Å; R598-Q602 PolarHBondContact O-N 2.86Å; R598-Q651 VanDerWaalsContact CZ-OE1 3.3Å; R598-Y654 HydrophobicContact CB-CD2 4.48Å; R598-Y654 HydrophobicContact CB-CE2 3.99Å; R598-Y654 HydrophobicContact CG-CD2 4.48Å; R598-Y654 HydrophobicContact CG-CE2 3.95Å; R598-Y654 VanDerWaalsContact NH1-CD1 3.26Å; R598-Y654 VanDerWaalsContact NH1-CG 3.34Å |
| 599 | F | 93.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.7 | -49.5 | 177.8 | 172.4 | -117.5 | 0 | 0 | 0 | 112.7 | H595 L596 K597 N601 Q602 V603 L613 I633 I637 Y654 V658 L662 | H595-F599 PolarHBondContact O-N 2.98Å; L596-F599 PolarHBondContact O-N 3.27Å; K597-F599 VanDerWaalsContact C-N 3.31Å; K597-F599 PolarHBondContact O-N 3.15Å; F599-N601 VanDerWaalsContact C-N 3.34Å; F599-N601 PolarHBondContact O-N 2.98Å; F599-Q602 WeakPolarHBondContact O-CB 3.44Å; F599-Q602 PolarHBondContact O-N 3.27Å; F599-Q602 VanDerWaalsContact O-N 3.16Å; F599-V603 HydrophobicContact CD2-CG2 3.99Å; F599-V603 HydrophobicContact CE1-CG2 4.16Å; F599-V603 HydrophobicContact CE2-CG2 3.5Å; F599-V603 VanDerWaalsContact CE2-CG2 3.5Å; F599-V603 HydrophobicContact CZ-CG2 3.61Å; F599-V603 WeakPolarHBondContact O-CG2 3.3Å; F599-V603 PolarHBondContact O-N 3.31Å; F599-L613 HydrophobicContact CE1-CD2 4.39Å; F599-L613 HydrophobicContact CZ-CD1 4.24Å; F599-L613 HydrophobicContact CZ-CD2 4.29Å; F599-I633 HydrophobicContact CE2-CG2 4.37Å; F599-I637 HydrophobicContact CD2-CD1 3.93Å; F599-I637 HydrophobicContact CE2-CD1 3.81Å; F599-Y654 WeakPolarHBondContact CA-OH 3.27Å; F599-Y654 HydrophobicContact CB-CE2 4.03Å; F599-V658 HydrophobicContact CB-CG2 3.67Å; F599-V658 HydrophobicContact CD1-CG1 4.11Å; F599-V658 HydrophobicContact CD1-CG2 4.4Å; F599-V658 HydrophobicContact CD2-CG1 3.68Å; F599-V658 HydrophobicContact CD2-CG2 4Å; F599-V658 HydrophobicContact CE1-CG1 4.11Å; F599-V658 HydrophobicContact CE2-CG1 3.69Å; F599-V658 HydrophobicContact CG-CG1 3.89Å; F599-V658 HydrophobicContact CG-CG2 3.75Å; F599-V658 HydrophobicContact CZ-CG1 3.9Å; F599-L662 HydrophobicContact CZ-CD1 4.43Å; F599-L662 HydrophobicContact CZ-CD2 4.4Å |
| 600 | F | 92.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.6 | -33.7 | -179.3 | -72.1 | -63.8 | 0 | 0 | 0 | 112.7 | L552 V555 L559 I579 L582 L596 K597 V603 H604 L613 L661 | L552-F600 HydrophobicContact CD1-CE1 3.77Å; L552-F600 HydrophobicContact CD1-CZ 3.76Å; V555-F600 HydrophobicContact CB-CD1 4.41Å; V555-F600 HydrophobicContact CB-CE1 4.09Å; V555-F600 HydrophobicContact CB-CZ 4.33Å; V555-F600 HydrophobicContact CG1-CB 4.48Å; V555-F600 HydrophobicContact CG1-CD1 3.51Å; V555-F600 HydrophobicContact CG1-CD2 4.3Å; V555-F600 HydrophobicContact CG1-CE1 3.68Å; V555-F600 HydrophobicContact CG1-CE2 4.45Å; V555-F600 HydrophobicContact CG1-CG 3.85Å; V555-F600 HydrophobicContact CG1-CZ 4.16Å; V555-F600 HydrophobicContact CG2-CZ 4.32Å; L559-F600 HydrophobicContact CD1-CB 4.31Å; L559-F600 HydrophobicContact CD1-CD1 4.21Å; I579-F600 HydrophobicContact CD1-CB 4.47Å; I579-F600 HydrophobicContact CD1-CD2 3.78Å; I579-F600 HydrophobicContact CD1-CG 4.49Å; I579-F600 HydrophobicContact CG1-CD2 3.7Å; I579-F600 HydrophobicContact CG1-CE2 3.99Å; L582-F600 HydrophobicContact CD1-CE2 3.79Å; L582-F600 HydrophobicContact CD1-CZ 3.74Å; L596-F600 HydrophobicContact CB-CE2 4.5Å; L596-F600 WeakPolarHBondContact O-CD2 3.38Å; L596-F600 PolarHBondContact O-N 3Å; K597-F600 PolarHBondContact O-N 3.34Å; F600-V603 PolarHBondContact O-N 3.22Å; F600-H604 PolarHBondContact O-N 3.08Å; F600-L613 HydrophobicContact CE1-CD2 4.32Å; F600-L661 HydrophobicContact CZ-CD2 4.23Å |
| 601 | N | 89.7 | Confident | 90.1 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 41% | 0.406 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 169.8 | -72.1 | 15 | 0 | 0 | 0 | 111.9 | K597 F599 V603 H604 T605 | K597-N601 WeakPolarHBondContact O-CB 3.46Å; K597-N601 VanDerWaalsContact O-CG 3.26Å; K597-N601 PolarHBondContact O-N 3.38Å; K597-N601 PolarHBondContact O-OD1 3.08Å; F599-N601 VanDerWaalsContact C-N 3.34Å; F599-N601 PolarHBondContact O-N 2.98Å; N601-V603 VanDerWaalsContact C-N 3.35Å; N601-V603 PolarHBondContact O-N 3.47Å; N601-H604 PolarHBondContact O-N 3.21Å; N601-T605 PolarHBondContact O-N 2.85Å; N601-T605 VanDerWaalsContact O-N 3.17Å; N601-T605 PolarHBondContact O-OG1 3.31Å |
| 602 | Q | 89.6 | Confident | 90.5 | Very high | 58 Ų | 58 | 50 Ų | 50 | 27% | 0.271 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 173.8 | -77.7 | -177 | -10.5 | 0 | 0 | 111.4 | R598 F599 H604 T605 D606 L609 Y654 | R598-Q602 WeakPolarHBondContact O-CG 3.27Å; R598-Q602 PolarHBondContact O-N 2.86Å; F599-Q602 WeakPolarHBondContact O-CB 3.44Å; F599-Q602 PolarHBondContact O-N 3.27Å; F599-Q602 VanDerWaalsContact O-N 3.16Å; Q602-H604 PolarHBondContact O-N 3.22Å; Q602-T605 PolarHBondContact O-N 3.43Å; Q602-T605 PolarHBondContact O-OG1 3.03Å; Q602-D606 WeakPolarHBondContact O-CB 3.27Å; Q602-D606 PolarHBondContact O-N 3.43Å; Q602-L609 HydrophobicContact CB-CD1 4.28Å; Q602-Y654 PolarHBondContact OE1-OH 3.39Å |
| 603 | V | 90.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -38.2 | 176.9 | 163.1 | 0 | 0 | 0 | 0 | 113 | F599 F600 N601 L609 W610 L613 | F599-V603 HydrophobicContact CD2-CG2 3.99Å; F599-V603 HydrophobicContact CE1-CG2 4.16Å; F599-V603 HydrophobicContact CE2-CG2 3.5Å; F599-V603 VanDerWaalsContact CE2-CG2 3.5Å; F599-V603 HydrophobicContact CZ-CG2 3.61Å; F599-V603 WeakPolarHBondContact O-CG2 3.3Å; F599-V603 PolarHBondContact O-N 3.31Å; F600-V603 PolarHBondContact O-N 3.22Å; N601-V603 VanDerWaalsContact C-N 3.35Å; N601-V603 PolarHBondContact O-N 3.47Å; V603-L609 HydrophobicContact CG2-CB 4.23Å; V603-W610 HydrophobicContact CG1-CE3 3.77Å; V603-W610 HydrophobicContact CG1-CZ3 4.21Å; V603-L613 HydrophobicContact CG1-CD2 3.71Å; V603-L613 HydrophobicContact CG2-CD2 4.06Å |
| 604 | H | 88.3 | Confident | 90.8 | Very high | 39 Ų | 39 | 49 Ų | 49 | 18% | 0.181 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 175.4 | 180 | -106.5 | 0 | 0 | 0 | 111.8 | L559 Q562 A565 F600 N601 Q602 | L559-H604 HydrophobicContact CD2-CB 4.23Å; Q562-H604 PolarHBondContact O-NE2 3.21Å; A565-H604 PolarHBondContact O-CE1 3.37Å; A565-H604 VanDerWaalsContact O-CE1 3.3Å; F600-H604 PolarHBondContact O-N 3.08Å; N601-H604 PolarHBondContact O-N 3.21Å; Q602-H604 PolarHBondContact O-N 3.22Å |
| 605 | T | 86.5 | Confident | 90.9 | Very high | 115 Ų | 115 | 47.7 Ų | 47.7 | 71% | 0.706 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -78.6 | -29.5 | 179.9 | 59.4 | 0 | 0 | 0 | 0 | 114.9 | N601 Q602 | N601-T605 PolarHBondContact O-N 2.85Å; N601-T605 VanDerWaalsContact O-N 3.17Å; N601-T605 PolarHBondContact O-OG1 3.31Å; Q602-T605 PolarHBondContact O-N 3.43Å; Q602-T605 PolarHBondContact O-OG1 3.03Å |
| 606 | D | 89.7 | Confident | 90.8 | Very high | 36 Ų | 36 | 47.6 Ų | 47.6 | 19% | 0.193 | 23% | 0.234 | C | C | . | . | trans | -101.1 | 97.4 | -171.7 | -174.7 | -27.2 | 0 | 0 | 0 | 111.2 | Q602 T608 L609 W610 K636 | Q602-D606 WeakPolarHBondContact O-CB 3.27Å; Q602-D606 PolarHBondContact O-N 3.43Å; D606-T608 PolarHBondContact O-N 3.02Å; D606-T608 WeakPolarHBondContact OD1-CA 3.49Å; D606-T608 WeakPolarHBondContact OD1-CB 3.39Å; D606-T608 PolarHBondContact OD1-N 2.78Å; D606-T608 PolarHBondContact OD1-OG1 3.37Å; D606-L609 HydrophobicContact CB-CB 4.01Å; D606-L609 HydrophobicContact CB-CD1 3.96Å; D606-L609 HydrophobicContact CB-CG 4.05Å; D606-L609 PolarHBondContact O-N 2.71Å; D606-L609 PolarHBondContact OD1-N 2.98Å; D606-L609 VanDerWaalsContact OD1-N 3.1Å; D606-W610 WeakPolarHBondContact O-CB 3.39Å; D606-W610 PolarHBondContact O-N 3.21Å; D606-K636 IonicContact OD1-NZ 3.48Å; D606-K636 PolarHBondContact OD1-NZ 3.06Å; D606-K636 WeakPolarHBondContact OD2-CE 3.32Å; D606-K636 IonicContact OD2-NZ 2.82Å; D606-K636 PolarHBondContact OD2-NZ 3.46Å | ||
| 607 | K | 88.6 | Confident | 90.5 | Very high | 146 Ų | 146 | 48 Ų | 48 | 64% | 0.635 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -50.5 | -24.6 | 176.7 | -167.6 | 168.2 | -175.5 | 169.7 | 0 | 114.1 | N611 | K607-N611 WeakPolarHBondContact O-CB 3.48Å; K607-N611 PolarHBondContact O-N 3.08Å; K607-N611 PolarHBondContact O-ND2 2.86Å; K607-N611 PolarHBondContact O-OD1 3.32Å |
| 608 | T | 90.9 | Very high | 90.1 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 39% | 0.393 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -84.5 | -40.7 | 175.3 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | D606 W610 N611 H612 K636 | D606-T608 PolarHBondContact O-N 3.02Å; D606-T608 WeakPolarHBondContact OD1-CA 3.49Å; D606-T608 WeakPolarHBondContact OD1-CB 3.39Å; D606-T608 PolarHBondContact OD1-N 2.78Å; D606-T608 PolarHBondContact OD1-OG1 3.37Å; T608-W610 VanDerWaalsContact C-N 3.33Å; T608-N611 PolarHBondContact O-N 3.36Å; T608-H612 PolarHBondContact O-N 2.9Å; T608-H612 PolarHBondContact O-ND1 3.47Å; T608-K636 PolarHBondContact OG1-NZ 2.91Å |
| 609 | L | 90.7 | Very high | 89.4 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 172.3 | -70.7 | 176.8 | 0 | 0 | 0 | 110.6 | Q602 V603 D606 N611 H612 L613 I633 K636 | Q602-L609 HydrophobicContact CB-CD1 4.28Å; V603-L609 HydrophobicContact CG2-CB 4.23Å; D606-L609 HydrophobicContact CB-CB 4.01Å; D606-L609 HydrophobicContact CB-CD1 3.96Å; D606-L609 HydrophobicContact CB-CG 4.05Å; D606-L609 PolarHBondContact O-N 2.71Å; D606-L609 PolarHBondContact OD1-N 2.98Å; D606-L609 VanDerWaalsContact OD1-N 3.1Å; L609-N611 PolarHBondContact O-N 2.73Å; L609-H612 PolarHBondContact O-N 3.41Å; L609-L613 WeakPolarHBondContact O-CB 3.47Å; L609-L613 PolarHBondContact O-N 3.42Å; L609-I633 HydrophobicContact CD2-CB 4.45Å; L609-I633 HydrophobicContact CD2-CG1 4.27Å; L609-I633 HydrophobicContact CD2-CG2 4.17Å; L609-K636 HydrophobicContact CD2-CB 4.23Å; L609-K636 HydrophobicContact CD2-CD 4.12Å; L609-K636 HydrophobicContact CG-CD 4.23Å |
| 610 | W | 91.3 | Very high | 88.8 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 8% | 0.076 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -49.1 | -58.2 | 171.6 | -177.3 | -103 | 0 | 0 | 0 | 112.3 | V556 L559 T560 V603 D606 T608 H612 L613 V614 | V556-W610 HydrophobicContact CG1-CH2 4.16Å; V556-W610 WeakPolarHBondContact O-CH2 3.44Å; L559-W610 HydrophobicContact CB-CH2 3.87Å; L559-W610 HydrophobicContact CB-CZ3 3.63Å; L559-W610 HydrophobicContact CD1-CZ3 4.38Å; T560-W610 HydrophobicContact CG2-CZ2 4.46Å; T560-W610 WeakPolarHBondContact OG1-CH2 3.41Å; T560-W610 VanDerWaalsContact OG1-CZ2 3.28Å; T560-W610 WeakPolarHBondContact OG1-CZ2 3.5Å; V603-W610 HydrophobicContact CG1-CE3 3.77Å; V603-W610 HydrophobicContact CG1-CZ3 4.21Å; D606-W610 WeakPolarHBondContact O-CB 3.39Å; D606-W610 PolarHBondContact O-N 3.21Å; T608-W610 VanDerWaalsContact C-N 3.33Å; W610-H612 VanDerWaalsContact C-N 3.29Å; W610-H612 PolarHBondContact O-N 2.84Å; W610-L613 PolarHBondContact O-N 3.48Å; W610-L613 VanDerWaalsContact O-N 3.15Å; W610-V614 HydrophobicContact CD2-CG2 3.98Å; W610-V614 HydrophobicContact CG-CG2 4.37Å; W610-V614 HydrophobicContact CH2-CG2 4.3Å; W610-V614 HydrophobicContact CZ2-CG2 3.73Å; W610-V614 WeakPolarHBondContact O-CB 3.47Å; W610-V614 WeakPolarHBondContact O-CG2 3.34Å; W610-V614 PolarHBondContact O-N 3.34Å |
| 611 | N | 92.3 | Very high | 88.5 | Confident | 90 Ų | 90 | 51.5 Ų | 51.5 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.9 | -37 | -176.9 | -74 | -8.3 | 0 | 0 | 0 | 112.8 | K607 T608 L609 K615 | K607-N611 WeakPolarHBondContact O-CB 3.48Å; K607-N611 PolarHBondContact O-N 3.08Å; K607-N611 PolarHBondContact O-ND2 2.86Å; K607-N611 PolarHBondContact O-OD1 3.32Å; T608-N611 PolarHBondContact O-N 3.36Å; L609-N611 PolarHBondContact O-N 2.73Å; N611-K615 VanDerWaalsContact O-CB 3.28Å; N611-K615 WeakPolarHBondContact O-CB 3.48Å; N611-K615 PolarHBondContact O-N 3.36Å |
| 612 | H | 92.8 | Very high | 88.5 | Confident | 58 Ų | 58 | 49.7 Ų | 49.7 | 27% | 0.269 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -75.1 | -36.7 | 176.8 | -67.1 | 97.6 | 0 | 0 | 0 | 112.6 | T608 L609 W610 K615 L616 A629 I633 | T608-H612 PolarHBondContact O-N 2.9Å; T608-H612 PolarHBondContact O-ND1 3.47Å; L609-H612 PolarHBondContact O-N 3.41Å; W610-H612 VanDerWaalsContact C-N 3.29Å; W610-H612 PolarHBondContact O-N 2.84Å; H612-K615 WeakPolarHBondContact O-CB 3.38Å; H612-K615 PolarHBondContact O-N 3.39Å; H612-L616 PolarHBondContact O-N 3.12Å; H612-A629 HydrophobicContact CB-CB 4.32Å; H612-I633 HydrophobicContact CB-CD1 3.68Å; H612-I633 HydrophobicContact CB-CG1 3.57Å |
| 613 | L | 92.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.6 | -44.8 | 179 | -168 | 69.3 | 0 | 0 | 0 | 111.6 | L552 V556 F599 F600 V603 L609 W610 K615 L616 T617 I633 L662 | L552-L613 HydrophobicContact CD1-CD1 4.32Å; L552-L613 HydrophobicContact CD1-CD2 4.36Å; L552-L613 HydrophobicContact CD2-CD1 4.17Å; V556-L613 HydrophobicContact CG2-CD2 3.78Å; V556-L613 HydrophobicContact CG2-CG 4.14Å; F599-L613 HydrophobicContact CE1-CD2 4.39Å; F599-L613 HydrophobicContact CZ-CD1 4.24Å; F599-L613 HydrophobicContact CZ-CD2 4.29Å; F600-L613 HydrophobicContact CE1-CD2 4.32Å; V603-L613 HydrophobicContact CG1-CD2 3.71Å; V603-L613 HydrophobicContact CG2-CD2 4.06Å; L609-L613 WeakPolarHBondContact O-CB 3.47Å; L609-L613 PolarHBondContact O-N 3.42Å; W610-L613 PolarHBondContact O-N 3.48Å; W610-L613 VanDerWaalsContact O-N 3.15Å; L613-K615 PolarHBondContact O-N 2.95Å; L613-L616 HydrophobicContact CD1-CD1 4.41Å; L613-L616 WeakPolarHBondContact O-CA 3.34Å; L613-L616 WeakPolarHBondContact O-CB 3.28Å; L613-L616 PolarHBondContact O-N 3.41Å; L613-T617 PolarHBondContact O-N 3.28Å; L613-T617 PolarHBondContact O-OG1 3.31Å; L613-I633 HydrophobicContact CB-CD1 4.41Å; L613-I633 HydrophobicContact CD1-CD1 4.38Å; L613-L662 HydrophobicContact CD1-CD2 3.74Å |
| 614 | V | 90.9 | Very high | 88.3 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 18% | 0.176 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.9 | -38.9 | 172.1 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | V556 W610 T617 K618 | V556-V614 HydrophobicContact CG1-CG2 3.87Å; W610-V614 HydrophobicContact CD2-CG2 3.98Å; W610-V614 HydrophobicContact CG-CG2 4.37Å; W610-V614 HydrophobicContact CH2-CG2 4.3Å; W610-V614 HydrophobicContact CZ2-CG2 3.73Å; W610-V614 WeakPolarHBondContact O-CB 3.47Å; W610-V614 WeakPolarHBondContact O-CG2 3.34Å; W610-V614 PolarHBondContact O-N 3.34Å; V614-T617 WeakPolarHBondContact CA-OG1 3.31Å; V614-T617 PolarHBondContact O-N 3.09Å; V614-T617 PolarHBondContact O-OG1 2.81Å; V614-K618 HydrophobicContact CG1-CD 4.38Å; V614-K618 WeakPolarHBondContact O-CG 3.2Å; V614-K618 PolarHBondContact O-N 3.08Å |
| 615 | K | 90.4 | Very high | 88.5 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 37% | 0.365 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 174.3 | -174 | 171 | 178.7 | 175.3 | 0 | 112.5 | N611 H612 L613 T617 T621 | N611-K615 VanDerWaalsContact O-CB 3.28Å; N611-K615 WeakPolarHBondContact O-CB 3.48Å; N611-K615 PolarHBondContact O-N 3.36Å; H612-K615 WeakPolarHBondContact O-CB 3.38Å; H612-K615 PolarHBondContact O-N 3.39Å; L613-K615 PolarHBondContact O-N 2.95Å; K615-T617 VanDerWaalsContact C-N 3.32Å; K615-T617 PolarHBondContact O-N 3.03Å; K615-T621 HydrophobicContact CG-CG2 4.16Å; K615-T621 VanDerWaalsContact O-CB 3.32Å; K615-T621 WeakPolarHBondContact O-CB 3.43Å; K615-T621 WeakPolarHBondContact O-CG2 3.04Å; K615-T621 PolarHBondContact O-OG1 3.24Å |
| 616 | L | 89.3 | Confident | 88.7 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64 | -33.8 | 172.8 | -78.8 | 175.5 | 0 | 0 | 0 | 113.3 | H612 L613 A626 A629 L630 I633 L662 P667 | H612-L616 PolarHBondContact O-N 3.12Å; L613-L616 HydrophobicContact CD1-CD1 4.41Å; L613-L616 WeakPolarHBondContact O-CA 3.34Å; L613-L616 WeakPolarHBondContact O-CB 3.28Å; L613-L616 PolarHBondContact O-N 3.41Å; L616-A626 HydrophobicContact CD2-CB 3.91Å; L616-A626 WeakPolarHBondContact CD2-O 3.46Å; L616-A629 HydrophobicContact CD2-CB 4.2Å; L616-A629 HydrophobicContact CG-CB 4.04Å; L616-L630 HydrophobicContact CD2-CB 4.32Å; L616-I633 HydrophobicContact CD1-CD1 3.61Å; L616-L662 HydrophobicContact CD1-CD2 4.35Å; L616-P667 WeakPolarHBondContact O-CD 3.49Å |
| 617 | T | 87 | Confident | 88.7 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -80.6 | -22.7 | -178.2 | 46.4 | 0 | 0 | 0 | 0 | 114.8 | L549 L552 R553 V556 L613 V614 K615 | L549-T617 HydrophobicContact CD1-CG2 4.46Å; L552-T617 HydrophobicContact CB-CG2 4.47Å; L552-T617 HydrophobicContact CD2-CG2 3.97Å; L552-T617 HydrophobicContact CG-CG2 3.82Å; R553-T617 HydrophobicContact CG-CG2 4.04Å; R553-T617 PolarHBondContact NE-O 3.31Å; R553-T617 PolarHBondContact NH2-O 3.2Å; R553-T617 VanDerWaalsContact NH2-O 3.13Å; V556-T617 HydrophobicContact CG2-CG2 4.13Å; L613-T617 PolarHBondContact O-N 3.28Å; L613-T617 PolarHBondContact O-OG1 3.31Å; V614-T617 WeakPolarHBondContact CA-OG1 3.31Å; V614-T617 PolarHBondContact O-N 3.09Å; V614-T617 PolarHBondContact O-OG1 2.81Å; K615-T617 VanDerWaalsContact C-N 3.32Å; K615-T617 PolarHBondContact O-N 3.03Å |
| 618 | K | 84.3 | Confident | 88.8 | Confident | 115 Ų | 115 | 42.5 Ų | 42.5 | 50% | 0.5 | 23% | 0.228 | S | C | . | . | trans | -69 | 132.5 | -173.9 | -87.5 | 178.4 | 176.3 | -173 | 0 | 112.9 | V614 Q620 T621 | V614-K618 HydrophobicContact CG1-CD 4.38Å; V614-K618 WeakPolarHBondContact O-CG 3.2Å; V614-K618 PolarHBondContact O-N 3.08Å; K618-Q620 PolarHBondContact O-N 2.99Å; K618-Q620 VanDerWaalsContact O-N 3.16Å; K618-T621 PolarHBondContact O-N 3.38Å; K618-T621 PolarHBondContact O-OG1 3.35Å | ||
| 619 | P | 76.7 | Confident | 88.9 | Confident | 24 Ų | 24 | 39.5 Ų | 39.5 | 16% | 0.156 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -32 | 178.7 | -25 | 31.1 | 0 | 0 | 0 | 114.9 | T621 E716 | P619-T621 VanDerWaalsContact C-N 3.34Å; P619-T621 PolarHBondContact O-N 3.22Å; P619-E716 HydrophobicContact CB-CB 4.13Å; P619-E716 HydrophobicContact CB-CG 4.33Å; P619-E716 WeakPolarHBondContact CB-OE2 3.2Å; P619-E716 WeakPolarHBondContact CG-OE2 3.36Å |
| 620 | Q | 79.6 | Confident | 89 | Confident | 103 Ų | 103 | 40.4 Ų | 40.4 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 0.4 | -170.8 | -49.8 | 80.4 | 9.6 | 0 | 0 | 113.6 | K618 | K618-Q620 PolarHBondContact O-N 2.99Å; K618-Q620 VanDerWaalsContact O-N 3.16Å |
| 621 | T | 87 | Confident | 88.9 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | trans | -77.1 | 126.6 | -178.1 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | K615 K618 P619 Q625 A626 | K615-T621 HydrophobicContact CG-CG2 4.16Å; K615-T621 VanDerWaalsContact O-CB 3.32Å; K615-T621 WeakPolarHBondContact O-CB 3.43Å; K615-T621 WeakPolarHBondContact O-CG2 3.04Å; K615-T621 PolarHBondContact O-OG1 3.24Å; K618-T621 PolarHBondContact O-N 3.38Å; K618-T621 PolarHBondContact O-OG1 3.35Å; P619-T621 VanDerWaalsContact C-N 3.34Å; P619-T621 PolarHBondContact O-N 3.22Å; T621-Q625 HydrophobicContact CG2-CB 3.7Å; T621-A626 HydrophobicContact CG2-CB 4.07Å | ||
| 622 | T | 89.5 | Confident | 88.9 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | trans | -74.3 | 156.9 | 178.6 | 71.2 | 0 | 0 | 0 | 0 | 112.5 | A624 Q625 A626 | T622-A624 PolarHBondContact O-N 3.07Å; T622-A624 VanDerWaalsContact O-N 3.14Å; T622-Q625 WeakPolarHBondContact O-CA 3.36Å; T622-Q625 WeakPolarHBondContact O-CB 3.46Å; T622-Q625 PolarHBondContact O-N 3.49Å; T622-Q625 WeakPolarHBondContact OG1-CG 3.28Å; T622-Q625 PolarHBondContact OG1-N 2.99Å; T622-A626 PolarHBondContact O-N 3.14Å | ||
| 623 | C | 89 | Confident | 88.9 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.034 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.9 | -36.9 | -179.9 | -66.3 | 0 | 0 | 0 | 0 | 112.3 | R519 T627 V668 L669 D671 | R519-C623 PolarHBondContact NH1-SG 3.38Å; R519-C623 PolarHBondContact NH2-SG 3.47Å; R519-C623 VanDerWaalsContact NH2-SG 3.38Å; C623-T627 VanDerWaalsContact O-CB 3.29Å; C623-T627 WeakPolarHBondContact O-CB 3.28Å; C623-T627 PolarHBondContact O-N 3.38Å; C623-T627 PolarHBondContact O-OG1 2.94Å; C623-V668 WeakPolarHBondContact CB-O 3.48Å; C623-V668 VanDerWaalsContact SG-C 3.57Å; C623-V668 PolarHBondContact SG-O 3.15Å; C623-V668 VanDerWaalsContact SG-O 3.41Å; C623-L669 VanDerWaalsContact SG-C 3.54Å; C623-D671 WeakPolarHBondContact CB-OD2 3.18Å; C623-D671 PolarHBondContact N-OD2 2.81Å; C623-D671 VanDerWaalsContact SG-CG 3.58Å; C623-D671 PolarHBondContact SG-OD2 2.98Å |
| 624 | A | 88 | Confident | 88.8 | Confident | 68 Ų | 68 | 44 Ų | 44 | 56% | 0.562 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -68.3 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T622 T627 T628 | T622-A624 PolarHBondContact O-N 3.07Å; T622-A624 VanDerWaalsContact O-N 3.14Å; A624-T627 PolarHBondContact O-N 2.69Å; A624-T628 PolarHBondContact O-N 3.25Å; A624-T628 VanDerWaalsContact O-N 3.08Å; A624-T628 PolarHBondContact O-OG1 2.97Å |
| 625 | Q | 90.7 | Very high | 88.8 | Confident | 86 Ų | 86 | 49.7 Ų | 49.7 | 40% | 0.402 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 175.8 | -71.9 | -179.1 | 16.4 | 0 | 0 | 112.1 | T621 T622 T628 A629 | T621-Q625 HydrophobicContact CG2-CB 3.7Å; T622-Q625 WeakPolarHBondContact O-CA 3.36Å; T622-Q625 WeakPolarHBondContact O-CB 3.46Å; T622-Q625 PolarHBondContact O-N 3.49Å; T622-Q625 WeakPolarHBondContact OG1-CG 3.28Å; T622-Q625 PolarHBondContact OG1-N 2.99Å; Q625-T628 PolarHBondContact O-N 3.22Å; Q625-A629 WeakPolarHBondContact O-CB 3.17Å; Q625-A629 PolarHBondContact O-N 2.66Å |
| 626 | A | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.8 | -44.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L616 T621 T622 T628 A629 L630 P667 | L616-A626 HydrophobicContact CD2-CB 3.91Å; L616-A626 WeakPolarHBondContact CD2-O 3.46Å; T621-A626 HydrophobicContact CG2-CB 4.07Å; T622-A626 PolarHBondContact O-N 3.14Å; A626-T628 VanDerWaalsContact C-N 3.3Å; A626-T628 PolarHBondContact O-N 2.84Å; A626-A629 PolarHBondContact O-N 3.45Å; A626-L630 VanDerWaalsContact O-CB 3.25Å; A626-L630 WeakPolarHBondContact O-CB 3.24Å; A626-L630 PolarHBondContact O-N 3.45Å; A626-P667 HydrophobicContact CB-CG 4.15Å |
| 627 | T | 90.2 | Very high | 88.5 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 14% | 0.135 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.1 | -39.9 | 176.9 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | Y512 C623 A624 R631 | Y512-T627 HydrophobicContact CE2-CG2 4.02Å; C623-T627 VanDerWaalsContact O-CB 3.29Å; C623-T627 WeakPolarHBondContact O-CB 3.28Å; C623-T627 PolarHBondContact O-N 3.38Å; C623-T627 PolarHBondContact O-OG1 2.94Å; A624-T627 PolarHBondContact O-N 2.69Å; T627-R631 WeakPolarHBondContact O-CB 3.39Å; T627-R631 PolarHBondContact O-N 3.16Å; T627-R631 VanDerWaalsContact O-N 3.12Å |
| 628 | T | 92.3 | Very high | 88 | Confident | 62 Ų | 62 | 51.4 Ų | 51.4 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.7 | -50.3 | 175.5 | -67 | 0 | 0 | 0 | 0 | 111.6 | A624 Q625 A626 L630 R631 D632 | A624-T628 PolarHBondContact O-N 3.25Å; A624-T628 VanDerWaalsContact O-N 3.08Å; A624-T628 PolarHBondContact O-OG1 2.97Å; Q625-T628 PolarHBondContact O-N 3.22Å; A626-T628 VanDerWaalsContact C-N 3.3Å; A626-T628 PolarHBondContact O-N 2.84Å; T628-L630 VanDerWaalsContact C-N 3.29Å; T628-L630 PolarHBondContact O-N 3.35Å; T628-R631 WeakPolarHBondContact O-CA 3.45Å; T628-R631 WeakPolarHBondContact O-CB 3.19Å; T628-R631 PolarHBondContact O-N 3.02Å; T628-R631 PolarHBondContact OG1-NH1 3.45Å; T628-D632 VanDerWaalsContact CG2-OD2 3.24Å; T628-D632 WeakPolarHBondContact CG2-OD2 3.39Å; T628-D632 VanDerWaalsContact O-CG 3.28Å; T628-D632 PolarHBondContact O-N 2.95Å; T628-D632 VanDerWaalsContact O-OD2 3.1Å |
| 629 | A | 92.3 | Very high | 87.3 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.6 | -38.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | H612 L616 Q625 A626 D632 I633 | H612-A629 HydrophobicContact CB-CB 4.32Å; L616-A629 HydrophobicContact CD2-CB 4.2Å; L616-A629 HydrophobicContact CG-CB 4.04Å; Q625-A629 WeakPolarHBondContact O-CB 3.17Å; Q625-A629 PolarHBondContact O-N 2.66Å; A626-A629 PolarHBondContact O-N 3.45Å; A629-D632 PolarHBondContact O-N 3.24Å; A629-I633 WeakPolarHBondContact O-CG1 3.39Å; A629-I633 PolarHBondContact O-N 2.8Å; A629-I633 VanDerWaalsContact O-N 3.08Å |
| 630 | L | 91.3 | Very high | 86.4 | Confident | 24 Ų | 24 | 50 Ų | 50 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -48.1 | 171.6 | 176.2 | 61 | 0 | 0 | 0 | 111.6 | L616 A626 T628 D632 L634 L662 | L616-L630 HydrophobicContact CD2-CB 4.32Å; A626-L630 VanDerWaalsContact O-CB 3.25Å; A626-L630 WeakPolarHBondContact O-CB 3.24Å; A626-L630 PolarHBondContact O-N 3.45Å; T628-L630 VanDerWaalsContact C-N 3.29Å; T628-L630 PolarHBondContact O-N 3.35Å; L630-D632 VanDerWaalsContact C-N 3.32Å; L630-D632 PolarHBondContact O-N 2.8Å; L630-L634 HydrophobicContact CD1-CD1 3.8Å; L630-L634 HydrophobicContact CD1-CG 4.11Å; L630-L634 HydrophobicContact CG-CD1 4.03Å; L630-L634 WeakPolarHBondContact O-CB 3.33Å; L630-L634 VanDerWaalsContact O-CG 3.23Å; L630-L634 WeakPolarHBondContact O-CG 3.34Å; L630-L634 PolarHBondContact O-N 3.1Å; L630-L662 HydrophobicContact CD1-CB 3.52Å; L630-L662 HydrophobicContact CD1-CD1 4.3Å |
| 631 | R | 91.1 | Very high | 85.1 | Confident | 141 Ų | 141 | 47 Ų | 47 | 53% | 0.532 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 178.8 | -168.3 | -170.7 | -61.2 | 110.7 | -2.9 | 111.6 | T627 T628 L634 K635 | T627-R631 WeakPolarHBondContact O-CB 3.39Å; T627-R631 PolarHBondContact O-N 3.16Å; T627-R631 VanDerWaalsContact O-N 3.12Å; T628-R631 WeakPolarHBondContact O-CA 3.45Å; T628-R631 WeakPolarHBondContact O-CB 3.19Å; T628-R631 PolarHBondContact O-N 3.02Å; T628-R631 PolarHBondContact OG1-NH1 3.45Å; R631-L634 PolarHBondContact O-N 3.05Å; R631-K635 WeakPolarHBondContact O-CB 3.25Å; R631-K635 PolarHBondContact O-N 2.98Å |
| 632 | D | 92 | Very high | 83.4 | Confident | 60 Ų | 60 | 54 Ų | 54 | 32% | 0.321 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -73 | -39.5 | -175.3 | -61.4 | -33.9 | 0 | 0 | 0 | 112.2 | T628 A629 L630 K635 K636 | T628-D632 VanDerWaalsContact CG2-OD2 3.24Å; T628-D632 WeakPolarHBondContact CG2-OD2 3.39Å; T628-D632 VanDerWaalsContact O-CG 3.28Å; T628-D632 PolarHBondContact O-N 2.95Å; T628-D632 VanDerWaalsContact O-OD2 3.1Å; A629-D632 PolarHBondContact O-N 3.24Å; L630-D632 VanDerWaalsContact C-N 3.32Å; L630-D632 PolarHBondContact O-N 2.8Å; D632-K635 PolarHBondContact O-N 2.99Å; D632-K636 PolarHBondContact O-N 3.41Å |
| 633 | I | 92.4 | Very high | 81.5 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.6 | -50.1 | 170.3 | -68.5 | 163.7 | 0 | 0 | 0 | 110.6 | F599 L609 H612 L613 L616 A629 K635 K636 I637 L662 | F599-I633 HydrophobicContact CE2-CG2 4.37Å; L609-I633 HydrophobicContact CD2-CB 4.45Å; L609-I633 HydrophobicContact CD2-CG1 4.27Å; L609-I633 HydrophobicContact CD2-CG2 4.17Å; H612-I633 HydrophobicContact CB-CD1 3.68Å; H612-I633 HydrophobicContact CB-CG1 3.57Å; L613-I633 HydrophobicContact CB-CD1 4.41Å; L613-I633 HydrophobicContact CD1-CD1 4.38Å; L616-I633 HydrophobicContact CD1-CD1 3.61Å; A629-I633 WeakPolarHBondContact O-CG1 3.39Å; A629-I633 PolarHBondContact O-N 2.8Å; A629-I633 VanDerWaalsContact O-N 3.08Å; I633-K635 VanDerWaalsContact C-N 3.3Å; I633-K635 PolarHBondContact O-N 2.92Å; I633-K636 PolarHBondContact O-N 3.26Å; I633-I637 HydrophobicContact CG2-CD1 3.68Å; I633-I637 HydrophobicContact CG2-CG1 4.41Å; I633-I637 WeakPolarHBondContact O-CG1 3.43Å; I633-I637 PolarHBondContact O-N 2.9Å; I633-L662 HydrophobicContact CB-CD1 4.39Å; I633-L662 HydrophobicContact CG2-CD1 3.58Å |
| 634 | L | 90.5 | Very high | 79.5 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 22% | 0.22 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.8 | -36.2 | -178.9 | -67.5 | 177.8 | 0 | 0 | 0 | 112.1 | L630 R631 G638 K659 L662 | L630-L634 HydrophobicContact CD1-CD1 3.8Å; L630-L634 HydrophobicContact CD1-CG 4.11Å; L630-L634 HydrophobicContact CG-CD1 4.03Å; L630-L634 WeakPolarHBondContact O-CB 3.33Å; L630-L634 VanDerWaalsContact O-CG 3.23Å; L630-L634 WeakPolarHBondContact O-CG 3.34Å; L630-L634 PolarHBondContact O-N 3.1Å; R631-L634 PolarHBondContact O-N 3.05Å; L634-G638 PolarHBondContact O-N 2.97Å; L634-K659 HydrophobicContact CD1-CG 4.23Å; L634-K659 HydrophobicContact CD2-CB 3.83Å; L634-K659 HydrophobicContact CD2-CG 4.15Å; L634-L662 HydrophobicContact CD2-CD1 4.26Å |
| 635 | K | 89.9 | Confident | 77.5 | Confident | 149 Ų | 149 | 69 Ų | 69 | 65% | 0.648 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.1 | -49.6 | 172.7 | -173.6 | -179.4 | 180 | -175.6 | 0 | 110.8 | R631 D632 I633 I637 G638 T639 | R631-K635 WeakPolarHBondContact O-CB 3.25Å; R631-K635 PolarHBondContact O-N 2.98Å; D632-K635 PolarHBondContact O-N 2.99Å; I633-K635 VanDerWaalsContact C-N 3.3Å; I633-K635 PolarHBondContact O-N 2.92Å; K635-I637 PolarHBondContact O-N 3.25Å; K635-G638 PolarHBondContact O-N 3.47Å; K635-T639 PolarHBondContact O-N 2.84Å; K635-T639 PolarHBondContact O-OG1 2.62Å |
| 636 | K | 87.5 | Confident | 75 | Confident | 88 Ų | 88 | 68.8 Ų | 68.8 | 38% | 0.383 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | -177 | -160.6 | 175.6 | -167.5 | -173.4 | 0 | 112.7 | D606 T608 L609 D632 I633 G638 T639 A640 | D606-K636 IonicContact OD1-NZ 3.48Å; D606-K636 PolarHBondContact OD1-NZ 3.06Å; D606-K636 WeakPolarHBondContact OD2-CE 3.32Å; D606-K636 IonicContact OD2-NZ 2.82Å; D606-K636 PolarHBondContact OD2-NZ 3.46Å; T608-K636 PolarHBondContact OG1-NZ 2.91Å; L609-K636 HydrophobicContact CD2-CB 4.23Å; L609-K636 HydrophobicContact CD2-CD 4.12Å; L609-K636 HydrophobicContact CG-CD 4.23Å; D632-K636 PolarHBondContact O-N 3.41Å; I633-K636 PolarHBondContact O-N 3.26Å; K636-G638 VanDerWaalsContact C-N 3.35Å; K636-T639 WeakPolarHBondContact CA-OG1 3.38Å; K636-T639 PolarHBondContact O-OG1 3.39Å; K636-A640 PolarHBondContact O-N 2.87Å |
| 637 | I | 85.9 | Confident | 73.2 | Confident | 7 Ų | 7 | 73 Ų | 73 | 4% | 0.036 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 174 | -67.1 | 173.8 | 0 | 0 | 0 | 111.2 | F599 I633 K635 Y654 A655 V658 | F599-I637 HydrophobicContact CD2-CD1 3.93Å; F599-I637 HydrophobicContact CE2-CD1 3.81Å; I633-I637 HydrophobicContact CG2-CD1 3.68Å; I633-I637 HydrophobicContact CG2-CG1 4.41Å; I633-I637 WeakPolarHBondContact O-CG1 3.43Å; I633-I637 PolarHBondContact O-N 2.9Å; K635-I637 PolarHBondContact O-N 3.25Å; I637-Y654 HydrophobicContact CG2-CD1 4.34Å; I637-Y654 HydrophobicContact CG2-CE1 3.93Å; I637-A655 HydrophobicContact CG2-CB 4.1Å; I637-V658 HydrophobicContact CD1-CB 4.16Å; I637-V658 HydrophobicContact CD1-CG1 3.57Å |
| 638 | G | 77.4 | Confident | 72.1 | Confident | 34 Ų | 34 | 77.1 Ų | 77.1 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L634 K635 K636 A640 A641 | L634-G638 PolarHBondContact O-N 2.97Å; K635-G638 PolarHBondContact O-N 3.47Å; K636-G638 VanDerWaalsContact C-N 3.35Å; G638-A640 PolarHBondContact O-N 3.46Å; G638-A640 VanDerWaalsContact O-N 3.11Å; G638-A641 VanDerWaalsContact O-CB 3.25Å; G638-A641 WeakPolarHBondContact O-CB 3.15Å; G638-A641 PolarHBondContact O-N 3.27Å |
| 639 | T | 68.7 | Low | 71.2 | Confident | 63 Ų | 63 | 80 Ų | 80 | 39% | 0.387 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.8 | -21.5 | -179.1 | 45.2 | 0 | 0 | 0 | 0 | 113.9 | K635 K636 A641 E642 | K635-T639 PolarHBondContact O-N 2.84Å; K635-T639 PolarHBondContact O-OG1 2.62Å; K636-T639 WeakPolarHBondContact CA-OG1 3.38Å; K636-T639 PolarHBondContact O-OG1 3.39Å; T639-A641 PolarHBondContact O-N 3.35Å; T639-E642 PolarHBondContact O-N 3.21Å |
| 640 | A | 58.2 | Low | 70.7 | Confident | 47 Ų | 47 | 82.7 Ų | 82.7 | 39% | 0.388 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -6.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K636 G638 | K636-A640 PolarHBondContact O-N 2.87Å; G638-A640 PolarHBondContact O-N 3.46Å; G638-A640 VanDerWaalsContact O-N 3.11Å |
| 641 | A | 52.2 | Low | 70.3 | Confident | 39 Ų | 39 | 82.8 Ų | 82.8 | 32% | 0.322 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -21.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G638 T639 N643 Q651 | G638-A641 VanDerWaalsContact O-CB 3.25Å; G638-A641 WeakPolarHBondContact O-CB 3.15Å; G638-A641 PolarHBondContact O-N 3.27Å; T639-A641 PolarHBondContact O-N 3.35Å; A641-N643 VanDerWaalsContact C-N 3.29Å; A641-N643 PolarHBondContact O-N 3.18Å; A641-Q651 HydrophobicContact CB-CG 3.6Å |
| 642 | E | 51.7 | Low | 70 | Confident | 157 Ų | 157 | 79.7 Ų | 79.7 | 73% | 0.734 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -8.7 | -172.6 | -63 | -177.2 | 176.4 | 0 | 0 | 113.8 | T639 | T639-E642 PolarHBondContact O-N 3.21Š|
| 643 | N | 48.6 | Very low | 69.7 | Low | 139 Ų | 139 | 80.1 Ų | 80.1 | 74% | 0.743 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 7.4 | -167.6 | -74.6 | -12.8 | 0 | 0 | 0 | 115.8 | A641 | A641-N643 VanDerWaalsContact C-N 3.29Å; A641-N643 PolarHBondContact O-N 3.18Å |
| 644 | L | 47.3 | Very low | 69.5 | Low | 115 Ų | 115 | 80.1 Ų | 80.1 | 60% | 0.602 | 45% | 0.449 | S | S | * | . | trans | -137.3 | 110.3 | 174.8 | -75.8 | 101.1 | 0 | 0 | 0 | 112.2 | S646 | L644-S646 PolarHBondContact O-N 3.07Š| ||
| 645 | N | 45.9 | Very low | 69.5 | Low | 172 Ų | 172 | 79.4 Ų | 79.4 | 92% | 0.92 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -75.5 | 41.1 | 178.7 | -72.1 | -12.3 | 0 | 0 | 0 | 113.9 | ||
| 646 | S | 39.4 | Very low | 69.4 | Low | 81 Ų | 81 | 79 Ų | 79 | 57% | 0.566 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -153 | 130.5 | 174.2 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | L644 | L644-S646 PolarHBondContact O-N 3.07Š|
| 647 | S | 53.1 | Low | 69.6 | Low | 89 Ų | 89 | 75.4 Ų | 75.4 | 62% | 0.622 | 43% | 0.429 | S | S | * | . | trans | 67.3 | 47.3 | 177.2 | 74.1 | 0 | 0 | 0 | 0 | 117.9 | D649 N650 | S647-D649 PolarHBondContact O-N 3.19Å; S647-D649 VanDerWaalsContact O-N 3.08Å; S647-N650 PolarHBondContact O-N 3.07Å; S647-N650 VanDerWaalsContact O-N 3.09Å | ||
| 648 | N | 66.3 | Low | 69.9 | Low | 108 Ų | 108 | 75.1 Ų | 75.1 | 58% | 0.578 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -42.9 | -44.2 | 174.6 | -79.2 | -12.8 | 0 | 0 | 0 | 114.1 | N650 Q651 T652 | N648-N650 VanDerWaalsContact C-N 3.3Å; N648-N650 PolarHBondContact O-N 3.13Å; N648-Q651 PolarHBondContact O-N 3.31Å; N648-Q651 VanDerWaalsContact O-N 3.15Å; N648-T652 WeakPolarHBondContact O-CG2 3.46Å; N648-T652 PolarHBondContact O-N 3.4Å; N648-T652 PolarHBondContact O-OG1 2.84Å |
| 649 | D | 72.5 | Confident | 70.6 | Confident | 123 Ų | 123 | 78.1 Ų | 78.1 | 66% | 0.658 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.7 | -32.6 | -175.8 | -61.3 | -29.4 | 0 | 0 | 0 | 114 | S647 T652 N653 | S647-D649 PolarHBondContact O-N 3.19Å; S647-D649 VanDerWaalsContact O-N 3.08Å; D649-T652 WeakPolarHBondContact CA-OG1 3.45Å; D649-T652 PolarHBondContact O-OG1 2.98Å; D649-N653 VanDerWaalsContact O-CB 3.28Å; D649-N653 WeakPolarHBondContact O-CB 3.34Å; D649-N653 PolarHBondContact O-N 3.44Å; D649-N653 PolarHBondContact O-ND2 3.28Å |
| 650 | N | 82.3 | Confident | 71.7 | Confident | 57 Ų | 57 | 75.3 Ų | 75.3 | 31% | 0.305 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -74.1 | -33.6 | 179.6 | -163.9 | 53.3 | 0 | 0 | 0 | 111 | S647 N648 Y654 | S647-N650 PolarHBondContact O-N 3.07Å; S647-N650 VanDerWaalsContact O-N 3.09Å; N648-N650 VanDerWaalsContact C-N 3.3Å; N648-N650 PolarHBondContact O-N 3.13Å; N650-Y654 WeakPolarHBondContact O-CB 3.37Å; N650-Y654 PolarHBondContact O-N 2.94Å; N650-Y654 VanDerWaalsContact O-N 3.09Å |
| 651 | Q | 84.4 | Confident | 73.3 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 12% | 0.121 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -79.7 | -36.6 | 177.8 | -176.3 | 62.9 | 15.5 | 0 | 0 | 112.4 | R598 A641 N648 Y654 A655 | R598-Q651 VanDerWaalsContact CZ-OE1 3.3Å; A641-Q651 HydrophobicContact CB-CG 3.6Å; N648-Q651 PolarHBondContact O-N 3.31Å; N648-Q651 VanDerWaalsContact O-N 3.15Å; Q651-Y654 PolarHBondContact O-N 3.26Å; Q651-A655 WeakPolarHBondContact O-CB 3.16Å; Q651-A655 PolarHBondContact O-N 3.37Å |
| 652 | T | 84.2 | Confident | 75.2 | Confident | 77 Ų | 77 | 71.3 Ų | 71.3 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 173.7 | 57.6 | 0 | 0 | 0 | 0 | 111.7 | N648 D649 A655 R656 | N648-T652 WeakPolarHBondContact O-CG2 3.46Å; N648-T652 PolarHBondContact O-N 3.4Å; N648-T652 PolarHBondContact O-OG1 2.84Å; D649-T652 WeakPolarHBondContact CA-OG1 3.45Å; D649-T652 PolarHBondContact O-OG1 2.98Å; T652-A655 PolarHBondContact O-N 3.29Å; T652-R656 VanDerWaalsContact O-CB 3.29Å; T652-R656 WeakPolarHBondContact O-CB 3.47Å; T652-R656 PolarHBondContact O-N 3.21Å |
| 653 | N | 84.9 | Confident | 77 | Confident | 69 Ų | 69 | 66.1 Ų | 66.1 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 173.1 | -79.8 | -60.6 | 0 | 0 | 0 | 112.7 | D649 R656 V657 | D649-N653 VanDerWaalsContact O-CB 3.28Å; D649-N653 WeakPolarHBondContact O-CB 3.34Å; D649-N653 PolarHBondContact O-N 3.44Å; D649-N653 PolarHBondContact O-ND2 3.28Å; N653-R656 PolarHBondContact O-N 3.1Å; N653-V657 PolarHBondContact O-N 2.92Å |
| 654 | Y | 89.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.7 | -53.1 | 170.2 | 170.2 | -115.6 | 0 | 0 | 0 | 111.8 | H595 R598 F599 Q602 I637 N650 Q651 R656 V657 V658 | H595-Y654 HydrophobicContact CB-CD2 3.95Å; H595-Y654 VanDerWaalsContact O-CE2 3.29Å; H595-Y654 WeakPolarHBondContact O-CE2 3.26Å; R598-Y654 HydrophobicContact CB-CD2 4.48Å; R598-Y654 HydrophobicContact CB-CE2 3.99Å; R598-Y654 HydrophobicContact CG-CD2 4.48Å; R598-Y654 HydrophobicContact CG-CE2 3.95Å; R598-Y654 VanDerWaalsContact NH1-CD1 3.26Å; R598-Y654 VanDerWaalsContact NH1-CG 3.34Å; F599-Y654 WeakPolarHBondContact CA-OH 3.27Å; F599-Y654 HydrophobicContact CB-CE2 4.03Å; Q602-Y654 PolarHBondContact OE1-OH 3.39Å; I637-Y654 HydrophobicContact CG2-CD1 4.34Å; I637-Y654 HydrophobicContact CG2-CE1 3.93Å; N650-Y654 WeakPolarHBondContact O-CB 3.37Å; N650-Y654 PolarHBondContact O-N 2.94Å; N650-Y654 VanDerWaalsContact O-N 3.09Å; Q651-Y654 PolarHBondContact O-N 3.26Å; Y654-R656 VanDerWaalsContact C-N 3.32Å; Y654-R656 PolarHBondContact O-N 3.42Å; Y654-V657 PolarHBondContact O-N 2.96Å; Y654-V658 HydrophobicContact CD2-CG2 4.28Å; Y654-V658 HydrophobicContact CE2-CG2 3.83Å; Y654-V658 PolarHBondContact O-N 2.67Å; Y654-V658 VanDerWaalsContact O-N 3.11Å |
| 655 | A | 89 | Confident | 80.9 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 22% | 0.223 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I637 Q651 T652 K659 | I637-A655 HydrophobicContact CG2-CB 4.1Å; Q651-A655 WeakPolarHBondContact O-CB 3.16Å; Q651-A655 PolarHBondContact O-N 3.37Å; T652-A655 PolarHBondContact O-N 3.29Å; A655-K659 WeakPolarHBondContact O-CB 3.15Å; A655-K659 PolarHBondContact O-N 2.97Å |
| 656 | R | 88.9 | Confident | 82.8 | Confident | 141 Ų | 141 | 46.8 Ų | 46.8 | 53% | 0.532 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 174.5 | 178.9 | 176.4 | 175.9 | 164.5 | -2.9 | 112 | D496 T652 N653 Y654 K659 I660 | D496-R656 IonicContact OD1-NH2 2.71Å; T652-R656 VanDerWaalsContact O-CB 3.29Å; T652-R656 WeakPolarHBondContact O-CB 3.47Å; T652-R656 PolarHBondContact O-N 3.21Å; N653-R656 PolarHBondContact O-N 3.1Å; Y654-R656 VanDerWaalsContact C-N 3.32Å; Y654-R656 PolarHBondContact O-N 3.42Å; R656-K659 PolarHBondContact O-N 2.85Å; R656-I660 HydrophobicContact CG-CD1 3.86Å; R656-I660 VanDerWaalsContact O-CG1 3.24Å; R656-I660 WeakPolarHBondContact O-CG1 3.37Å; R656-I660 PolarHBondContact O-N 2.92Å |
| 657 | V | 91 | Very high | 84.9 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62 | -50.4 | 178.2 | 158.9 | 0 | 0 | 0 | 0 | 111.3 | I586 H595 L596 N653 Y654 K659 I660 L661 | I586-V657 HydrophobicContact CD1-CG1 3.68Å; I586-V657 HydrophobicContact CD1-CG2 4.36Å; H595-V657 HydrophobicContact CB-CB 4.18Å; H595-V657 HydrophobicContact CB-CG1 3.89Å; H595-V657 HydrophobicContact CB-CG2 4.5Å; L596-V657 HydrophobicContact CD2-CG1 3.83Å; L596-V657 HydrophobicContact CG-CG1 4.05Å; N653-V657 PolarHBondContact O-N 2.92Å; Y654-V657 PolarHBondContact O-N 2.96Å; V657-K659 VanDerWaalsContact C-N 3.35Å; V657-K659 PolarHBondContact O-N 3.45Å; V657-I660 PolarHBondContact O-N 3.08Å; V657-L661 PolarHBondContact O-N 3.41Å |
| 658 | V | 92 | Very high | 86.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.7 | -39.6 | 179.6 | -175.8 | 0 | 0 | 0 | 0 | 111.2 | F599 I637 Y654 I660 L661 L662 | F599-V658 HydrophobicContact CB-CG2 3.67Å; F599-V658 HydrophobicContact CD1-CG1 4.11Å; F599-V658 HydrophobicContact CD1-CG2 4.4Å; F599-V658 HydrophobicContact CD2-CG1 3.68Å; F599-V658 HydrophobicContact CD2-CG2 4Å; F599-V658 HydrophobicContact CE1-CG1 4.11Å; F599-V658 HydrophobicContact CE2-CG1 3.69Å; F599-V658 HydrophobicContact CG-CG1 3.89Å; F599-V658 HydrophobicContact CG-CG2 3.75Å; F599-V658 HydrophobicContact CZ-CG1 3.9Å; I637-V658 HydrophobicContact CD1-CB 4.16Å; I637-V658 HydrophobicContact CD1-CG1 3.57Å; Y654-V658 HydrophobicContact CD2-CG2 4.28Å; Y654-V658 HydrophobicContact CE2-CG2 3.83Å; Y654-V658 PolarHBondContact O-N 2.67Å; Y654-V658 VanDerWaalsContact O-N 3.11Å; V658-I660 PolarHBondContact O-N 2.89Å; V658-L661 PolarHBondContact O-N 3.07Å; V658-L662 HydrophobicContact CG1-CD1 3.71Å; V658-L662 HydrophobicContact CG1-CG 4.06Å; V658-L662 WeakPolarHBondContact O-CG 2.93Å; V658-L662 PolarHBondContact O-N 2.98Å |
| 659 | K | 92.1 | Very high | 87.5 | Confident | 97 Ų | 97 | 35.6 Ų | 35.6 | 42% | 0.422 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 174.4 | -179.6 | 171.2 | 175.3 | 173.8 | 0 | 112.4 | L634 A655 R656 V657 E663 | L634-K659 HydrophobicContact CD1-CG 4.23Å; L634-K659 HydrophobicContact CD2-CB 3.83Å; L634-K659 HydrophobicContact CD2-CG 4.15Å; A655-K659 WeakPolarHBondContact O-CB 3.15Å; A655-K659 PolarHBondContact O-N 2.97Å; R656-K659 PolarHBondContact O-N 2.85Å; V657-K659 VanDerWaalsContact C-N 3.35Å; V657-K659 PolarHBondContact O-N 3.45Å; K659-E663 WeakPolarHBondContact CE-OE1 3.12Å; K659-E663 HydrophobicContact CG-CG 4.32Å; K659-E663 IonicContact NZ-OE1 3.8Å; K659-E663 VanDerWaalsContact O-CB 3.29Å; K659-E663 WeakPolarHBondContact O-CB 3.09Å; K659-E663 VanDerWaalsContact O-CG 3.27Å; K659-E663 WeakPolarHBondContact O-CG 3.38Å; K659-E663 PolarHBondContact O-N 3.31Å |
| 660 | I | 91.6 | Very high | 88.2 | Confident | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 178.3 | -68.8 | 167 | 0 | 0 | 0 | 110.8 | L499 I586 P587 R656 V657 V658 L662 E663 R664 | L499-I660 HydrophobicContact CD1-CG2 3.45Å; L499-I660 VanDerWaalsContact CD1-CG2 3.45Å; L499-I660 HydrophobicContact CD2-CG2 3.81Å; L499-I660 HydrophobicContact CG-CG2 4.3Å; I586-I660 HydrophobicContact CB-CG2 4.21Å; I586-I660 HydrophobicContact CG2-CB 4.42Å; I586-I660 HydrophobicContact CG2-CG2 3.76Å; P587-I660 HydrophobicContact CG-CD1 4.1Å; R656-I660 HydrophobicContact CG-CD1 3.86Å; R656-I660 VanDerWaalsContact O-CG1 3.24Å; R656-I660 WeakPolarHBondContact O-CG1 3.37Å; R656-I660 PolarHBondContact O-N 2.92Å; V657-I660 PolarHBondContact O-N 3.08Å; V658-I660 PolarHBondContact O-N 2.89Å; I660-L662 PolarHBondContact O-N 2.97Å; I660-E663 PolarHBondContact O-N 3.4Å; I660-R664 WeakPolarHBondContact O-CG 3.4Å; I660-R664 PolarHBondContact O-N 3.2Å |
| 661 | L | 92.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.1 | -53.5 | 176.9 | 172.7 | 63 | 0 | 0 | 0 | 111.3 | L582 I586 L596 F600 V657 V658 E663 R664 C665 | L582-L661 HydrophobicContact CD1-CD2 4.44Å; L582-L661 HydrophobicContact CD2-CD1 3.87Å; I586-L661 HydrophobicContact CG2-CB 4.48Å; L596-L661 HydrophobicContact CD2-CB 4.46Å; L596-L661 HydrophobicContact CD2-CD2 3.58Å; F600-L661 HydrophobicContact CZ-CD2 4.23Å; V657-L661 PolarHBondContact O-N 3.41Å; V658-L661 PolarHBondContact O-N 3.07Å; L661-E663 PolarHBondContact O-N 2.96Å; L661-R664 PolarHBondContact O-N 3.5Å; L661-C665 VanDerWaalsContact CD1-SG 3.53Å; L661-C665 PolarHBondContact O-N 2.73Å; L661-C665 PolarHBondContact O-SG 2.76Å |
| 662 | L | 91.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.4 | -33.6 | -176.1 | -62.6 | 176.6 | 0 | 0 | 0 | 112.4 | L552 F599 L613 L616 L630 I633 L634 V658 I660 R664 C665 S666 | L552-L662 HydrophobicContact CD2-CD2 4.5Å; F599-L662 HydrophobicContact CZ-CD1 4.43Å; F599-L662 HydrophobicContact CZ-CD2 4.4Å; L613-L662 HydrophobicContact CD1-CD2 3.74Å; L616-L662 HydrophobicContact CD1-CD2 4.35Å; L630-L662 HydrophobicContact CD1-CB 3.52Å; L630-L662 HydrophobicContact CD1-CD1 4.3Å; I633-L662 HydrophobicContact CB-CD1 4.39Å; I633-L662 HydrophobicContact CG2-CD1 3.58Å; L634-L662 HydrophobicContact CD2-CD1 4.26Å; V658-L662 HydrophobicContact CG1-CD1 3.71Å; V658-L662 HydrophobicContact CG1-CG 4.06Å; V658-L662 WeakPolarHBondContact O-CG 2.93Å; V658-L662 PolarHBondContact O-N 2.98Å; I660-L662 PolarHBondContact O-N 2.97Å; L662-R664 VanDerWaalsContact C-N 3.28Å; L662-R664 PolarHBondContact O-N 3.25Å; L662-C665 PolarHBondContact O-N 3.36Å; L662-S666 VanDerWaalsContact O-CB 3.25Å; L662-S666 WeakPolarHBondContact O-CB 3.31Å; L662-S666 PolarHBondContact O-N 3.01Å; L662-S666 PolarHBondContact O-OG 3.47Å |
| 663 | E | 89.2 | Confident | 89 | Confident | 47 Ų | 47 | 32.4 Ų | 32.4 | 22% | 0.22 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.8 | -31 | 172.5 | -80.8 | 178.4 | 178.6 | 0 | 0 | 113.1 | R503 K506 K659 I660 L661 | R503-E663 IonicContact CZ-OE2 2.7Å; R503-E663 IonicContact NE-OE2 3.39Å; R503-E663 PolarHBondContact NE-OE2 3.12Å; R503-E663 IonicContact NH2-OE2 2.68Å; R503-E663 PolarHBondContact NH2-OE2 3.17Å; K506-E663 PolarHBondContact NZ-O 2.81Å; K659-E663 WeakPolarHBondContact CE-OE1 3.12Å; K659-E663 HydrophobicContact CG-CG 4.32Å; K659-E663 IonicContact NZ-OE1 3.8Å; K659-E663 VanDerWaalsContact O-CB 3.29Å; K659-E663 WeakPolarHBondContact O-CB 3.09Å; K659-E663 VanDerWaalsContact O-CG 3.27Å; K659-E663 WeakPolarHBondContact O-CG 3.38Å; K659-E663 PolarHBondContact O-N 3.31Å; I660-E663 PolarHBondContact O-N 3.4Å; L661-E663 PolarHBondContact O-N 2.96Å |
| 664 | R | 90.1 | Very high | 89.3 | Confident | 9 Ų | 9 | 29.1 Ų | 29.1 | 3% | 0.034 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -76.7 | -47.7 | 172.8 | -61 | -161.6 | 99.4 | 169.3 | -1.2 | 112.2 | Y490 L499 E502 T544 A548 L585 I660 L661 L662 | Y490-R664 PolarHBondContact OH-NH2 3.02Å; L499-R664 HydrophobicContact CD2-CG 3.61Å; E502-R664 IonicContact OE1-CZ 2.75Å; E502-R664 IonicContact OE1-NE 2.61Å; E502-R664 IonicContact OE1-NH2 2.73Å; E502-R664 PolarHBondContact OE1-NH2 3.44Å; E502-R664 IonicContact OE2-CZ 3.69Å; E502-R664 IonicContact OE2-NE 3.19Å; E502-R664 PolarHBondContact OE2-NE 2.94Å; E502-R664 IonicContact OE2-NH2 3.82Å; T544-R664 VanDerWaalsContact CG2-NH2 3.34Å; A548-R664 HydrophobicContact CB-CB 4.4Å; L585-R664 WeakPolarHBondContact O-CD 3.44Å; L585-R664 PolarHBondContact O-NH1 3.02Å; I660-R664 WeakPolarHBondContact O-CG 3.4Å; I660-R664 PolarHBondContact O-N 3.2Å; L661-R664 PolarHBondContact O-N 3.5Å; L662-R664 VanDerWaalsContact C-N 3.28Å; L662-R664 PolarHBondContact O-N 3.25Å |
| 665 | C | 87.8 | Confident | 89.4 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.034 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -75.5 | -30.1 | -172 | -56.6 | 0 | 0 | 0 | 0 | 114.6 | A548 L552 L661 L662 | A548-C665 PolarHBondContact O-SG 3.42Å; L552-C665 HydrophobicContact CD2-CB 3.62Å; L661-C665 VanDerWaalsContact CD1-SG 3.53Å; L661-C665 PolarHBondContact O-N 2.73Å; L661-C665 PolarHBondContact O-SG 2.76Å; L662-C665 PolarHBondContact O-N 3.36Å |
| 666 | S | 86.3 | Confident | 89.5 | Confident | 7 Ų | 7 | 29.8 Ų | 29.8 | 5% | 0.049 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -69.1 | 128.1 | -168 | -61.4 | 0 | 0 | 0 | 0 | 112.9 | L662 V668 | L662-S666 VanDerWaalsContact O-CB 3.25Å; L662-S666 WeakPolarHBondContact O-CB 3.31Å; L662-S666 PolarHBondContact O-N 3.01Å; L662-S666 PolarHBondContact O-OG 3.47Å; S666-V668 VanDerWaalsContact C-N 3.27Å; S666-V668 PolarHBondContact O-N 3.11Å |
| 667 | P | 84.2 | Confident | 89.6 | Confident | 28 Ų | 28 | 25 Ų | 25 | 18% | 0.182 | 12% | 0.122 | C | C | . | . | trans | -75.8 | 74.7 | 177.6 | 31.4 | -35.1 | 0 | 0 | 0 | 111.3 | L616 A626 | L616-P667 WeakPolarHBondContact O-CD 3.49Å; A626-P667 HydrophobicContact CB-CG 4.15Å | ||
| 668 | V | 86.9 | Confident | 89.7 | Confident | 10 Ų | 10 | 24.4 Ų | 24.4 | 6% | 0.061 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -97.5 | -14.7 | -178.9 | -62.4 | 0 | 0 | 0 | 0 | 114 | K506 R519 C623 S666 | K506-V668 HydrophobicContact CD-CG2 4.08Å; K506-V668 HydrophobicContact CG-CG2 4.42Å; R519-V668 PolarHBondContact NH1-O 3.24Å; C623-V668 WeakPolarHBondContact CB-O 3.48Å; C623-V668 VanDerWaalsContact SG-C 3.57Å; C623-V668 PolarHBondContact SG-O 3.15Å; C623-V668 VanDerWaalsContact SG-O 3.41Å; S666-V668 VanDerWaalsContact C-N 3.27Å; S666-V668 PolarHBondContact O-N 3.11Å |
| 669 | L | 85.8 | Confident | 89.7 | Confident | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -98.3 | -36.3 | 175.9 | -71.2 | 178.7 | 0 | 0 | 0 | 113 | L505 K506 I510 R519 C623 | L505-L669 HydrophobicContact CD2-CD1 4.5Å; L505-L669 HydrophobicContact CG-CD1 4.41Å; K506-L669 HydrophobicContact CG-CD1 3.79Å; K506-L669 HydrophobicContact CG-CD2 4.23Å; K506-L669 HydrophobicContact CG-CG 3.94Å; I510-L669 HydrophobicContact CB-CD2 4.29Å; I510-L669 HydrophobicContact CG2-CD2 4.11Å; I510-L669 WeakPolarHBondContact O-CD2 3.22Å; R519-L669 PolarHBondContact NH1-O 2.83Å; R519-L669 VanDerWaalsContact NH1-O 3.15Å; C623-L669 VanDerWaalsContact SG-C 3.54Å |
| 670 | F | 87.8 | Confident | 89.6 | Confident | 10 Ų | 10 | 23.2 Ų | 23.2 | 4% | 0.044 | 12% | 0.117 | C | C | . | . | trans | -126.4 | 118.3 | -163.6 | -58.9 | -44 | 0 | 0 | 0 | 110 | L523 F542 F674 F714 I717 | L523-F670 HydrophobicContact CD2-CE1 4.47Å; F542-F670 HydrophobicContact CD1-CE2 4.22Å; F542-F670 AromaticContact CE1-CE2 3.82Å; F542-F670 HydrophobicContact CE1-CE2 3.82Å; F542-F670 AromaticContact CE1-CZ 3.78Å; F542-F670 HydrophobicContact CE1-CZ 3.78Å; F542-F670 HydrophobicContact CZ-CE2 4.18Å; F542-F670 AromaticContact CZ-CZ 3.82Å; F542-F670 HydrophobicContact CZ-CZ 3.82Å; F670-F674 AromaticContact CD1-CD1 3.82Å; F670-F674 HydrophobicContact CD1-CD1 3.82Å; F670-F674 AromaticContact CD1-CE1 3.63Å; F670-F674 HydrophobicContact CD1-CE1 3.63Å; F670-F674 HydrophobicContact CD1-CG 4.43Å; F670-F674 HydrophobicContact CD1-CZ 4.08Å; F670-F674 HydrophobicContact CE1-CD1 4.46Å; F670-F674 AromaticContact CE1-CE1 3.81Å; F670-F674 HydrophobicContact CE1-CE1 3.81Å; F670-F674 AromaticContact CE1-CZ 3.96Å; F670-F674 HydrophobicContact CE1-CZ 3.96Å; F670-F714 AromaticContact CD2-CD2 3.81Å; F670-F714 HydrophobicContact CD2-CD2 3.81Å; F670-F714 HydrophobicContact CD2-CE1 4.48Å; F670-F714 AromaticContact CD2-CE2 3.65Å; F670-F714 HydrophobicContact CD2-CE2 3.65Å; F670-F714 HydrophobicContact CD2-CG 4.29Å; F670-F714 HydrophobicContact CD2-CZ 4.02Å; F670-F714 HydrophobicContact CE2-CD2 4.06Å; F670-F714 AromaticContact CE2-CE2 3.64Å; F670-F714 HydrophobicContact CE2-CE2 3.64Å; F670-F714 HydrophobicContact CE2-CZ 4.23Å; F670-I717 HydrophobicContact CB-CD1 3.73Å; F670-I717 HydrophobicContact CB-CG2 4.23Å; F670-I717 HydrophobicContact CD1-CD1 4.42Å; F670-I717 HydrophobicContact CG-CD1 4.22Å | ||
| 671 | D | 89.4 | Confident | 89.4 | Confident | 9 Ų | 9 | 25.4 Ų | 25.4 | 5% | 0.048 | 13% | 0.127 | C | C | . | . | trans | -139.9 | 174.9 | 171.2 | 65.7 | 33.3 | 0 | 0 | 0 | 110.2 | C623 N673 F674 G675 | C623-D671 WeakPolarHBondContact CB-OD2 3.18Å; C623-D671 PolarHBondContact N-OD2 2.81Å; C623-D671 VanDerWaalsContact SG-CG 3.58Å; C623-D671 PolarHBondContact SG-OD2 2.98Å; D671-N673 PolarHBondContact O-N 3.08Å; D671-N673 WeakPolarHBondContact OD1-CA 3.46Å; D671-N673 WeakPolarHBondContact OD1-CB 3.43Å; D671-N673 PolarHBondContact OD1-N 2.82Å; D671-F674 WeakPolarHBondContact O-CB 3.27Å; D671-F674 PolarHBondContact O-N 2.84Å; D671-F674 PolarHBondContact OD1-N 3.34Å; D671-G675 PolarHBondContact O-N 2.99Å | ||
| 672 | R | 87.3 | Confident | 89.3 | Confident | 102 Ų | 102 | 25.4 Ų | 25.4 | 39% | 0.385 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -58.2 | -34.8 | -177.2 | -169.8 | 172.6 | 179.7 | 160 | 2.5 | 113.7 | G675 T676 I717 | R672-G675 WeakPolarHBondContact O-CA 3.43Å; R672-G675 PolarHBondContact O-N 2.9Å; R672-G675 VanDerWaalsContact O-N 3.17Å; R672-T676 PolarHBondContact O-N 3.36Å; R672-T676 PolarHBondContact O-OG1 3.42Å; R672-I717 WeakPolarHBondContact CA-O 3.49Å |
| 673 | N | 90.2 | Very high | 89 | Confident | 96 Ų | 96 | 27.9 Ų | 27.9 | 51% | 0.513 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -74.4 | -29.5 | 180 | -61.2 | 1.1 | 0 | 0 | 0 | 111.3 | N516 D671 E677 | N516-N673 WeakPolarHBondContact ND2-CB 3.46Å; N516-N673 PolarHBondContact ND2-O 3.16Å; D671-N673 PolarHBondContact O-N 3.08Å; D671-N673 WeakPolarHBondContact OD1-CA 3.46Å; D671-N673 WeakPolarHBondContact OD1-CB 3.43Å; D671-N673 PolarHBondContact OD1-N 2.82Å; N673-E677 PolarHBondContact O-N 2.89Å |
| 674 | F | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.8 | -39.3 | 167.2 | -177.5 | -81.3 | 0 | 0 | 0 | 110.7 | N516 R519 V520 L523 F670 D671 E677 L678 I717 | N516-F674 PolarHBondContact ND2-N 2.93Å; R519-F674 HydrophobicContact CB-CD2 4.1Å; R519-F674 HydrophobicContact CB-CE2 3.74Å; V520-F674 HydrophobicContact CB-CE2 4.44Å; V520-F674 HydrophobicContact CG2-CD1 4.39Å; V520-F674 HydrophobicContact CG2-CD2 3.84Å; V520-F674 HydrophobicContact CG2-CE1 4.14Å; V520-F674 HydrophobicContact CG2-CE2 3.56Å; V520-F674 HydrophobicContact CG2-CG 4.24Å; V520-F674 HydrophobicContact CG2-CZ 3.72Å; L523-F674 HydrophobicContact CB-CZ 4.44Å; L523-F674 HydrophobicContact CD2-CE1 3.99Å; L523-F674 HydrophobicContact CD2-CZ 3.65Å; F670-F674 AromaticContact CD1-CD1 3.82Å; F670-F674 HydrophobicContact CD1-CD1 3.82Å; F670-F674 AromaticContact CD1-CE1 3.63Å; F670-F674 HydrophobicContact CD1-CE1 3.63Å; F670-F674 HydrophobicContact CD1-CG 4.43Å; F670-F674 HydrophobicContact CD1-CZ 4.08Å; F670-F674 HydrophobicContact CE1-CD1 4.46Å; F670-F674 AromaticContact CE1-CE1 3.81Å; F670-F674 HydrophobicContact CE1-CE1 3.81Å; F670-F674 AromaticContact CE1-CZ 3.96Å; F670-F674 HydrophobicContact CE1-CZ 3.96Å; D671-F674 WeakPolarHBondContact O-CB 3.27Å; D671-F674 PolarHBondContact O-N 2.84Å; D671-F674 PolarHBondContact OD1-N 3.34Å; F674-E677 PolarHBondContact O-N 2.92Å; F674-L678 HydrophobicContact CE1-CB 4.47Å; F674-L678 HydrophobicContact CE1-CD1 4.34Å; F674-L678 VanDerWaalsContact O-CB 3.26Å; F674-L678 WeakPolarHBondContact O-CB 3.3Å; F674-L678 PolarHBondContact O-N 3.19Å; F674-I717 HydrophobicContact CD1-CD1 4.44Å |
| 675 | G | 91 | Very high | 88.5 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D671 R672 L678 V679 P719 | D671-G675 PolarHBondContact O-N 2.99Å; R672-G675 WeakPolarHBondContact O-CA 3.43Å; R672-G675 PolarHBondContact O-N 2.9Å; R672-G675 VanDerWaalsContact O-N 3.17Å; G675-L678 WeakPolarHBondContact O-CB 3.48Å; G675-L678 PolarHBondContact O-N 3.13Å; G675-V679 WeakPolarHBondContact O-CG2 3.34Å; G675-V679 PolarHBondContact O-N 2.84Å; G675-V679 VanDerWaalsContact O-N 3.13Å; G675-P719 VanDerWaalsContact C-CD 3.49Å |
| 676 | T | 91.2 | Very high | 88.1 | Confident | 40 Ų | 40 | 29.9 Ų | 29.9 | 25% | 0.245 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.1 | -47.3 | 174.4 | -57 | 0 | 0 | 0 | 0 | 112 | R672 L678 V679 N680 P719 | R672-T676 PolarHBondContact O-N 3.36Å; R672-T676 PolarHBondContact O-OG1 3.42Å; T676-L678 VanDerWaalsContact C-N 3.33Å; T676-L678 PolarHBondContact O-N 2.64Å; T676-V679 PolarHBondContact O-N 2.96Å; T676-N680 VanDerWaalsContact O-CG 3.22Å; T676-N680 PolarHBondContact O-N 3.47Å; T676-N680 PolarHBondContact O-ND2 3.48Å; T676-P719 WeakPolarHBondContact OG1-CG 3.38Å |
| 677 | E | 92 | Very high | 87.8 | Confident | 40 Ų | 40 | 38.1 Ų | 38.1 | 19% | 0.187 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67 | -35.2 | -179.9 | -173.1 | 55 | -158.4 | 0 | 0 | 112.5 | N516 A517 V520 N673 F674 V679 Q681 | N516-E677 HydrophobicContact CB-CB 4.49Å; A517-E677 HydrophobicContact CB-CG 4.18Å; V520-E677 HydrophobicContact CB-CG 4.29Å; V520-E677 HydrophobicContact CG2-CB 4.09Å; V520-E677 HydrophobicContact CG2-CG 3.99Å; N673-E677 PolarHBondContact O-N 2.89Å; F674-E677 PolarHBondContact O-N 2.92Å; E677-V679 PolarHBondContact O-N 3.4Å; E677-Q681 VanDerWaalsContact O-CG 3.24Å; E677-Q681 WeakPolarHBondContact O-CG 3.34Å; E677-Q681 PolarHBondContact O-N 3.21Å; E677-Q681 VanDerWaalsContact O-N 3.09Å; E677-Q681 WeakPolarHBondContact OE1-CG 3.33Å; E677-Q681 PolarHBondContact OE1-NE2 2.7Å |
| 678 | L | 92.8 | Very high | 87.2 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56 | -50.6 | 171.6 | -177.2 | 75.6 | 0 | 0 | 0 | 110.8 | V520 L523 F524 F674 G675 T676 Q681 L682 V710 L718 | V520-L678 HydrophobicContact CG1-CD1 4.36Å; V520-L678 HydrophobicContact CG2-CB 4.33Å; L523-L678 HydrophobicContact CD2-CD1 4.14Å; F524-L678 HydrophobicContact CD1-CD1 4.47Å; F524-L678 HydrophobicContact CE1-CD1 3.41Å; F524-L678 VanDerWaalsContact CE1-CD1 3.41Å; F524-L678 HydrophobicContact CZ-CD1 3.67Å; F674-L678 HydrophobicContact CE1-CB 4.47Å; F674-L678 HydrophobicContact CE1-CD1 4.34Å; F674-L678 VanDerWaalsContact O-CB 3.26Å; F674-L678 WeakPolarHBondContact O-CB 3.3Å; F674-L678 PolarHBondContact O-N 3.19Å; G675-L678 WeakPolarHBondContact O-CB 3.48Å; G675-L678 PolarHBondContact O-N 3.13Å; T676-L678 VanDerWaalsContact C-N 3.33Å; T676-L678 PolarHBondContact O-N 2.64Å; L678-Q681 PolarHBondContact O-N 2.84Å; L678-L682 HydrophobicContact CG-CD1 4.5Å; L678-L682 VanDerWaalsContact O-CG 3.28Å; L678-L682 WeakPolarHBondContact O-CG 3.47Å; L678-L682 PolarHBondContact O-N 2.89Å; L678-V710 HydrophobicContact CD2-CG1 4.43Å; L678-V710 HydrophobicContact CD2-CG2 4.4Å; L678-L718 HydrophobicContact CD2-CD2 4.13Å |
| 679 | V | 91.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.1 | -39.9 | -176.8 | 179.3 | 0 | 0 | 0 | 0 | 112 | G675 T676 E677 Q681 L682 F683 E722 V723 | G675-V679 WeakPolarHBondContact O-CG2 3.34Å; G675-V679 PolarHBondContact O-N 2.84Å; G675-V679 VanDerWaalsContact O-N 3.13Å; T676-V679 PolarHBondContact O-N 2.96Å; E677-V679 PolarHBondContact O-N 3.4Å; V679-Q681 VanDerWaalsContact C-N 3.31Å; V679-Q681 PolarHBondContact O-N 3.09Å; V679-L682 WeakPolarHBondContact O-CB 3.28Å; V679-L682 PolarHBondContact O-N 3.13Å; V679-L682 VanDerWaalsContact O-N 3.12Å; V679-F683 HydrophobicContact CG1-CD2 4.11Å; V679-F683 HydrophobicContact CG1-CE2 4.01Å; V679-F683 WeakPolarHBondContact O-CD2 3.42Å; V679-F683 PolarHBondContact O-N 3.14Å; V679-E722 HydrophobicContact CB-CB 4.4Å; V679-E722 HydrophobicContact CG1-CB 3.66Å; V679-V723 HydrophobicContact CG1-CG2 4.48Å; V679-V723 HydrophobicContact CG2-CG2 3.54Å |
| 680 | N | 90.4 | Very high | 84.9 | Confident | 71 Ų | 71 | 44.7 Ų | 44.7 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -53.9 | -48.1 | 172.7 | -72.3 | -18.8 | 0 | 0 | 0 | 111.5 | T676 F683 V684 | T676-N680 VanDerWaalsContact O-CG 3.22Å; T676-N680 PolarHBondContact O-N 3.47Å; T676-N680 PolarHBondContact O-ND2 3.48Å; N680-F683 WeakPolarHBondContact O-CB 3.4Å; N680-F683 PolarHBondContact O-N 2.94Å; N680-V684 PolarHBondContact O-N 3.37Å |
| 681 | Q | 87.8 | Confident | 83.3 | Confident | 52 Ų | 52 | 45.5 Ų | 45.5 | 24% | 0.243 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.8 | -27.3 | -179.9 | -61.1 | -70 | -14 | 0 | 0 | 112.3 | V520 F524 E677 L678 V679 V684 I685 | V520-Q681 HydrophobicContact CG1-CB 4.16Å; V520-Q681 HydrophobicContact CG1-CG 4.04Å; F524-Q681 HydrophobicContact CD2-CB 4.5Å; F524-Q681 HydrophobicContact CE2-CB 3.6Å; F524-Q681 HydrophobicContact CZ-CB 4.35Å; E677-Q681 VanDerWaalsContact O-CG 3.24Å; E677-Q681 WeakPolarHBondContact O-CG 3.34Å; E677-Q681 PolarHBondContact O-N 3.21Å; E677-Q681 VanDerWaalsContact O-N 3.09Å; E677-Q681 WeakPolarHBondContact OE1-CG 3.33Å; E677-Q681 PolarHBondContact OE1-NE2 2.7Å; L678-Q681 PolarHBondContact O-N 2.84Å; V679-Q681 VanDerWaalsContact C-N 3.31Å; V679-Q681 PolarHBondContact O-N 3.09Å; Q681-V684 PolarHBondContact O-N 3.37Å; Q681-I685 WeakPolarHBondContact O-CD1 3.36Å; Q681-I685 VanDerWaalsContact O-CG1 3.27Å; Q681-I685 WeakPolarHBondContact O-CG1 3.47Å; Q681-I685 PolarHBondContact O-N 3.4Å |
| 682 | L | 89 | Confident | 81.3 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 169.8 | -73.8 | 176.5 | 0 | 0 | 0 | 112.5 | F524 L678 V679 I685 K686 S703 L707 Y726 | F524-L682 HydrophobicContact CE1-CD2 4.47Å; F524-L682 HydrophobicContact CZ-CD2 3.99Å; F524-L682 HydrophobicContact CZ-CG 4.15Å; L678-L682 HydrophobicContact CG-CD1 4.5Å; L678-L682 VanDerWaalsContact O-CG 3.28Å; L678-L682 WeakPolarHBondContact O-CG 3.47Å; L678-L682 PolarHBondContact O-N 2.89Å; V679-L682 WeakPolarHBondContact O-CB 3.28Å; V679-L682 PolarHBondContact O-N 3.13Å; V679-L682 VanDerWaalsContact O-N 3.12Å; L682-I685 PolarHBondContact O-N 3.49Å; L682-K686 PolarHBondContact O-N 3.45Å; L682-S703 VanDerWaalsContact CD2-CB 3.43Å; L682-L707 HydrophobicContact CD1-CB 4.16Å; L682-L707 HydrophobicContact CD1-CD1 4.25Å; L682-L707 HydrophobicContact CD1-CD2 3.94Å; L682-L707 HydrophobicContact CD1-CG 4.34Å; L682-Y726 VanDerWaalsContact C-CE2 3.45Å; L682-Y726 HydrophobicContact CB-CD2 4.45Å; L682-Y726 HydrophobicContact CB-CE1 4.06Å; L682-Y726 HydrophobicContact CB-CE2 3.9Å; L682-Y726 HydrophobicContact CD1-CE1 4.22Å; L682-Y726 VanDerWaalsContact O-CE2 3.27Å; L682-Y726 WeakPolarHBondContact O-CE2 3.46Å; L682-Y726 PolarHBondContact O-OH 3Å |
| 683 | F | 87.3 | Confident | 79.4 | Confident | 53 Ų | 53 | 48 Ų | 48 | 23% | 0.232 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63 | -40.6 | 171 | -87 | -74.2 | 0 | 0 | 0 | 112.3 | V679 N680 K686 K687 D725 Y726 | V679-F683 HydrophobicContact CG1-CD2 4.11Å; V679-F683 HydrophobicContact CG1-CE2 4.01Å; V679-F683 WeakPolarHBondContact O-CD2 3.42Å; V679-F683 PolarHBondContact O-N 3.14Å; N680-F683 WeakPolarHBondContact O-CB 3.4Å; N680-F683 PolarHBondContact O-N 2.94Å; F683-K686 PolarHBondContact O-N 3.18Å; F683-K687 WeakPolarHBondContact O-CG 3.45Å; F683-K687 PolarHBondContact O-N 3.13Å; F683-K687 VanDerWaalsContact O-N 3.14Å; F683-D725 HydrophobicContact CZ-CB 4.05Å; F683-Y726 AromaticContact CD1-CD2 3.8Å; F683-Y726 HydrophobicContact CD1-CD2 3.8Å; F683-Y726 HydrophobicContact CD1-CE2 4.47Å; F683-Y726 HydrophobicContact CD2-CD2 4.02Å; F683-Y726 AromaticContact CE1-CD2 3.92Å; F683-Y726 HydrophobicContact CE1-CD2 3.92Å; F683-Y726 HydrophobicContact CE2-CD2 4.13Å; F683-Y726 HydrophobicContact CE2-CG 4.43Å; F683-Y726 AromaticContact CG-CD2 3.86Å; F683-Y726 HydrophobicContact CG-CD2 3.86Å; F683-Y726 HydrophobicContact CG-CE2 4.46Å; F683-Y726 VanDerWaalsContact CZ-CA 3.48Å; F683-Y726 HydrophobicContact CZ-CD2 4.1Å; F683-Y726 HydrophobicContact CZ-CG 4.43Å |
| 684 | V | 85.3 | Confident | 77.2 | Confident | 60 Ų | 60 | 48 Ų | 48 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.5 | -53.6 | 174.5 | 175.5 | 0 | 0 | 0 | 0 | 110 | N680 Q681 K686 K687 T688 | N680-V684 PolarHBondContact O-N 3.37Å; Q681-V684 PolarHBondContact O-N 3.37Å; V684-K686 VanDerWaalsContact C-N 3.27Å; V684-K686 PolarHBondContact O-N 2.95Å; V684-K687 PolarHBondContact O-N 2.93Å; V684-T688 HydrophobicContact CG1-CG2 4.21Å; V684-T688 PolarHBondContact O-N 3.29Å; V684-T688 PolarHBondContact O-OG1 2.86Å |
| 685 | I | 82.2 | Confident | 75 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.4 | -40.6 | 179.8 | -68.2 | 162.1 | 0 | 0 | 0 | 112 | F524 Q681 L682 G689 L691 M698 | F524-I685 HydrophobicContact CD2-CD1 3.89Å; F524-I685 HydrophobicContact CE2-CD1 3.59Å; F524-I685 HydrophobicContact CZ-CD1 4.21Å; Q681-I685 WeakPolarHBondContact O-CD1 3.36Å; Q681-I685 VanDerWaalsContact O-CG1 3.27Å; Q681-I685 WeakPolarHBondContact O-CG1 3.47Å; Q681-I685 PolarHBondContact O-N 3.4Å; L682-I685 PolarHBondContact O-N 3.49Å; I685-G689 VanDerWaalsContact O-CA 3.32Å; I685-G689 WeakPolarHBondContact O-CA 3.4Å; I685-G689 PolarHBondContact O-N 2.99Å; I685-L691 HydrophobicContact CD1-CD1 3.78Å; I685-L691 HydrophobicContact CD1-CG 3.98Å; I685-L691 HydrophobicContact CG1-CD1 4.1Å; I685-L691 HydrophobicContact CG1-CG 3.83Å; I685-M698 HydrophobicContact CD1-CE 3.46Å; I685-M698 VanDerWaalsContact CD1-CE 3.46Å; I685-M698 WeakPolarHBondContact CG2-O 3.46Å |
| 686 | K | 80.3 | Confident | 73.1 | Confident | 42 Ų | 42 | 52.4 Ų | 52.4 | 18% | 0.183 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.1 | -168 | -166.8 | 171.2 | -160.8 | 0 | 111.6 | L682 F683 V684 Y726 C729 I730 D733 | L682-K686 PolarHBondContact O-N 3.45Å; F683-K686 PolarHBondContact O-N 3.18Å; V684-K686 VanDerWaalsContact C-N 3.27Å; V684-K686 PolarHBondContact O-N 2.95Å; K686-Y726 HydrophobicContact CB-CE2 4.13Å; K686-C729 PolarHBondContact NZ-O 3.45Å; K686-C729 PolarHBondContact NZ-SG 2.96Å; K686-I730 HydrophobicContact CD-CG1 4.17Å; K686-D733 WeakPolarHBondContact CE-OD2 3.44Å; K686-D733 IonicContact NZ-OD1 3.66Å; K686-D733 PolarHBondContact NZ-OD1 3.39Å; K686-D733 IonicContact NZ-OD2 3.57Å; K686-D733 PolarHBondContact NZ-OD2 2.67Å |
| 687 | K | 79.5 | Confident | 71.6 | Confident | 181 Ų | 181 | 60.9 Ų | 60.9 | 79% | 0.787 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -74.3 | -29.5 | -177.2 | -72 | -179.2 | 177.6 | -178.4 | 0 | 114.1 | F683 V684 | F683-K687 WeakPolarHBondContact O-CG 3.45Å; F683-K687 PolarHBondContact O-N 3.13Å; F683-K687 VanDerWaalsContact O-N 3.14Å; V684-K687 PolarHBondContact O-N 2.93Å |
| 688 | T | 72.4 | Confident | 70.8 | Confident | 86 Ų | 86 | 59 Ų | 59 | 53% | 0.528 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -107.5 | -13.7 | -174.3 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | V684 C690 | V684-T688 HydrophobicContact CG1-CG2 4.21Å; V684-T688 PolarHBondContact O-N 3.29Å; V684-T688 PolarHBondContact O-OG1 2.86Å; T688-C690 PolarHBondContact O-N 3.41Å; T688-C690 VanDerWaalsContact O-N 3.09Å; T688-C690 PolarHBondContact OG1-N 2.69Å; T688-C690 PolarHBondContact OG1-O 3.14Å |
| 689 | G | 66.1 | Low | 70.1 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 51% | 0.505 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 67.9 | -4.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I685 | I685-G689 VanDerWaalsContact O-CA 3.32Å; I685-G689 WeakPolarHBondContact O-CA 3.4Å; I685-G689 PolarHBondContact O-N 2.99Å |
| 690 | C | 57 | Low | 69.8 | Low | 44 Ų | 44 | 63.7 Ų | 63.7 | 30% | 0.297 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -159.6 | 140.9 | -174.6 | -171 | 0 | 0 | 0 | 0 | 112.2 | T688 S692 | T688-C690 PolarHBondContact O-N 3.41Å; T688-C690 VanDerWaalsContact O-N 3.09Å; T688-C690 PolarHBondContact OG1-N 2.69Å; T688-C690 PolarHBondContact OG1-O 3.14Å; C690-S692 PolarHBondContact O-N 3.22Å |
| 691 | L | 54.5 | Low | 69.5 | Low | 27 Ų | 27 | 61.7 Ų | 61.7 | 14% | 0.141 | 36% | 0.357 | C | S | . | . | trans | -62 | 132.8 | 163.2 | -81 | 133.1 | 0 | 0 | 0 | 110.1 | F524 I685 G693 M698 | F524-L691 HydrophobicContact CB-CD1 3.84Å; F524-L691 HydrophobicContact CD2-CD1 3.78Å; F524-L691 HydrophobicContact CD2-CD2 3.99Å; F524-L691 HydrophobicContact CD2-CG 4.42Å; F524-L691 HydrophobicContact CG-CD1 4.24Å; I685-L691 HydrophobicContact CD1-CD1 3.78Å; I685-L691 HydrophobicContact CD1-CG 3.98Å; I685-L691 HydrophobicContact CG1-CD1 4.1Å; I685-L691 HydrophobicContact CG1-CG 3.83Å; L691-G693 PolarHBondContact O-N 3.06Å; L691-M698 HydrophobicContact CD1-CB 4.16Å | ||
| 692 | S | 47.6 | Very low | 69.4 | Low | 125 Ų | 125 | 62.6 Ų | 62.6 | 87% | 0.874 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -78.7 | 105.7 | 169.7 | -167.8 | 0 | 0 | 0 | 0 | 109.1 | C690 | C690-S692 PolarHBondContact O-N 3.22Š|
| 693 | G | 47.6 | Very low | 69.3 | Low | 39 Ų | 39 | 62.6 Ų | 62.6 | 40% | 0.402 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 127.5 | 103.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L691 | L691-G693 PolarHBondContact O-N 3.06Š|
| 694 | T | 44.7 | Very low | 69.4 | Low | 95 Ų | 95 | 60 Ų | 60 | 58% | 0.583 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 67.9 | 112.8 | 165.4 | 68.8 | 0 | 0 | 0 | 0 | 118.9 | G696 | T694-G696 VanDerWaalsContact C-N 3.29Å; T694-G696 PolarHBondContact O-N 2.75Å |
| 695 | A | 44.5 | Very low | 69.6 | Low | 75 Ų | 75 | 60.3 Ų | 60.3 | 62% | 0.62 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 58.9 | -5.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||
| 696 | G | 50.9 | Low | 70.1 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 19% | 0.186 | 34% | 0.342 | C | S | . | . | trans | -139.5 | 103.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T694 M698 | T694-G696 VanDerWaalsContact C-N 3.29Å; T694-G696 PolarHBondContact O-N 2.75Å; G696-M698 PolarHBondContact O-N 2.84Å | ||
| 697 | R | 61.2 | Low | 70.6 | Confident | 218 Ų | 218 | 58.4 Ų | 58.4 | 82% | 0.823 | 33% | 0.334 | S | S | * | . | trans | -73 | 88.3 | 167.7 | -72.6 | -171.4 | 177 | -174.6 | 0.5 | 109.7 | N699 | R697-N699 PolarHBondContact O-N 2.95Š| ||
| 698 | M | 74.5 | Confident | 71.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -75.4 | 105.5 | 170.5 | -165.5 | 175.7 | 70 | 0 | 0 | 110 | F524 Y527 I685 L691 G696 R702 | F524-M698 HydrophobicContact CB-CE 3.96Å; F524-M698 HydrophobicContact CB-SD 4Å; F524-M698 HydrophobicContact CD1-CE 3.28Å; F524-M698 HydrophobicContact CD1-SD 3.79Å; F524-M698 HydrophobicContact CD2-CE 3.82Å; F524-M698 HydrophobicContact CE1-CE 3.52Å; F524-M698 HydrophobicContact CE1-SD 4.46Å; F524-M698 HydrophobicContact CE2-CE 4Å; F524-M698 HydrophobicContact CG-CE 3.43Å; F524-M698 VanDerWaalsContact CG-CE 3.43Å; F524-M698 HydrophobicContact CG-SD 4.02Å; F524-M698 HydrophobicContact CZ-CE 3.87Å; Y527-M698 HydrophobicContact CD1-SD 4.44Å; I685-M698 HydrophobicContact CD1-CE 3.46Å; I685-M698 VanDerWaalsContact CD1-CE 3.46Å; I685-M698 WeakPolarHBondContact CG2-O 3.46Å; L691-M698 HydrophobicContact CD1-CB 4.16Å; G696-M698 PolarHBondContact O-N 2.84Å; M698-R702 HydrophobicContact CG-CB 4.14Å | ||
| 699 | N | 78.7 | Confident | 71.9 | Confident | 78 Ų | 78 | 46.6 Ų | 46.6 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | trans | -72.8 | 161 | 177.7 | 72 | 5.4 | 0 | 0 | 0 | 112.8 | R697 T701 R702 S703 | R697-N699 PolarHBondContact O-N 2.95Å; N699-T701 PolarHBondContact O-N 3.29Å; N699-R702 PolarHBondContact O-N 2.96Å; N699-R702 VanDerWaalsContact OD1-CB 3.32Å; N699-R702 WeakPolarHBondContact OD1-CB 3.27Å; N699-R702 WeakPolarHBondContact OD1-CG 3.34Å; N699-R702 PolarHBondContact OD1-N 2.9Å; N699-S703 PolarHBondContact O-N 2.92Å | ||
| 700 | V | 83.4 | Confident | 73.1 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.3 | -32.4 | -177.6 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | S703 L704 L762 | V700-S703 WeakPolarHBondContact CA-OG 3.43Å; V700-S703 PolarHBondContact O-N 3.22Å; V700-S703 PolarHBondContact O-OG 3.49Å; V700-L704 HydrophobicContact CG1-CD1 4.4Å; V700-L704 HydrophobicContact CG1-CG 4.44Å; V700-L704 PolarHBondContact O-N 3.38Å; V700-L762 HydrophobicContact CB-CD2 4.36Å; V700-L762 HydrophobicContact CG1-CD1 4.3Å; V700-L762 HydrophobicContact CG1-CD2 4.16Å |
| 701 | T | 84.4 | Confident | 74.6 | Confident | 28 Ų | 28 | 42.3 Ų | 42.3 | 17% | 0.172 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | 176.3 | -51.3 | 0 | 0 | 0 | 0 | 112.1 | N699 R705 M765 | N699-T701 PolarHBondContact O-N 3.29Å; T701-R705 WeakPolarHBondContact O-CG 3.33Å; T701-R705 PolarHBondContact O-N 3.36Å; T701-M765 HydrophobicContact CG2-CE 3.97Å |
| 702 | R | 85.7 | Confident | 76.1 | Confident | 72 Ų | 72 | 42.7 Ų | 42.7 | 27% | 0.272 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.9 | -39.4 | 173.1 | -76.4 | 179.5 | 179.7 | -115.7 | 4.9 | 111.6 | Y527 S528 M530 M698 N699 L704 R705 L706 | Y527-R702 HydrophobicContact CD1-CB 4.15Å; Y527-R702 HydrophobicContact CE1-CB 4.11Å; Y527-R702 WeakPolarHBondContact CE1-O 3.37Å; Y527-R702 PolarHBondContact O-NH1 3.47Å; S528-R702 PolarHBondContact O-NH1 3.38Å; M530-R702 PolarHBondContact O-NH1 2.72Å; M530-R702 PolarHBondContact O-NH2 3.47Å; M698-R702 HydrophobicContact CG-CB 4.14Å; N699-R702 PolarHBondContact O-N 2.96Å; N699-R702 VanDerWaalsContact OD1-CB 3.32Å; N699-R702 WeakPolarHBondContact OD1-CB 3.27Å; N699-R702 WeakPolarHBondContact OD1-CG 3.34Å; N699-R702 PolarHBondContact OD1-N 2.9Å; R702-L704 PolarHBondContact O-N 2.9Å; R702-R705 PolarHBondContact O-N 3.37Å; R702-L706 PolarHBondContact O-N 2.97Å |
| 703 | S | 88.3 | Confident | 78 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.1 | -41.5 | -178.5 | 89.8 | 0 | 0 | 0 | 0 | 112.2 | L682 N699 V700 L706 L707 | L682-S703 VanDerWaalsContact CD2-CB 3.43Å; N699-S703 PolarHBondContact O-N 2.92Å; V700-S703 WeakPolarHBondContact CA-OG 3.43Å; V700-S703 PolarHBondContact O-N 3.22Å; V700-S703 PolarHBondContact O-OG 3.49Å; S703-L706 PolarHBondContact O-N 3.41Å; S703-L707 PolarHBondContact O-N 2.97Å |
| 704 | L | 89 | Confident | 79.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.3 | -36.8 | 172.9 | -73.7 | 178 | 0 | 0 | 0 | 113.1 | V700 R702 L706 L707 L708 Y726 I730 L762 M765 I769 | V700-L704 HydrophobicContact CG1-CD1 4.4Å; V700-L704 HydrophobicContact CG1-CG 4.44Å; V700-L704 PolarHBondContact O-N 3.38Å; R702-L704 PolarHBondContact O-N 2.9Å; L704-L706 VanDerWaalsContact C-N 3.27Å; L704-L706 PolarHBondContact O-N 2.83Å; L704-L707 HydrophobicContact CD2-CD2 4.47Å; L704-L707 PolarHBondContact O-N 3.15Å; L704-L708 VanDerWaalsContact O-CB 3.32Å; L704-L708 WeakPolarHBondContact O-CB 3.29Å; L704-L708 PolarHBondContact O-N 3.1Å; L704-Y726 HydrophobicContact CD2-CE1 3.95Å; L704-I730 HydrophobicContact CD1-CD1 4.26Å; L704-I730 HydrophobicContact CD1-CG2 4.39Å; L704-I730 HydrophobicContact CD2-CD1 3.88Å; L704-I730 HydrophobicContact CG-CD1 4.41Å; L704-L762 HydrophobicContact CD1-CB 3.93Å; L704-L762 HydrophobicContact CD1-CD2 3.81Å; L704-L762 HydrophobicContact CD1-CG 4.46Å; L704-M765 HydrophobicContact CB-CB 4.15Å; L704-M765 HydrophobicContact CB-CE 4Å; L704-M765 HydrophobicContact CB-SD 4.1Å; L704-M765 HydrophobicContact CD1-CB 4.19Å; L704-M765 HydrophobicContact CD1-CE 4.14Å; L704-I769 HydrophobicContact CB-CD1 4.41Å; L704-I769 HydrophobicContact CD2-CD1 3.74Å |
| 705 | R | 89.8 | Confident | 81.7 | Confident | 65 Ų | 65 | 35.8 Ų | 35.8 | 25% | 0.245 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -36 | 173.2 | -72.9 | 174.2 | 175.6 | -162.1 | 1.9 | 112 | Y527 E532 T701 R702 A709 M765 | Y527-R705 HydrophobicContact CE1-CB 4.47Å; E532-R705 IonicContact OE1-CZ 2.71Å; E532-R705 IonicContact OE1-NH1 3.76Å; E532-R705 PolarHBondContact OE1-NH1 3.41Å; T701-R705 WeakPolarHBondContact O-CG 3.33Å; T701-R705 PolarHBondContact O-N 3.36Å; R702-R705 PolarHBondContact O-N 3.37Å; R705-A709 PolarHBondContact O-N 3.22Å; R705-A709 VanDerWaalsContact O-N 3.14Å; R705-M765 HydrophobicContact CG-SD 3.7Å |
| 706 | L | 91.4 | Very high | 83.4 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.5 | -48.3 | 173.2 | 174.7 | 58.1 | 0 | 0 | 0 | 111.5 | L523 F524 Y527 F542 R702 S703 L704 L708 A709 V710 | L523-L706 HydrophobicContact CD1-CD1 4.14Å; L523-L706 HydrophobicContact CD1-CD2 4.27Å; L523-L706 HydrophobicContact CD2-CD1 4.24Å; L523-L706 HydrophobicContact CD2-CD2 3.93Å; L523-L706 HydrophobicContact CG-CD1 4.46Å; L523-L706 HydrophobicContact CG-CD2 3.85Å; F524-L706 HydrophobicContact CD1-CD2 3.74Å; F524-L706 HydrophobicContact CE1-CD2 3.69Å; Y527-L706 HydrophobicContact CD1-CB 4.12Å; Y527-L706 HydrophobicContact CD2-CB 4.3Å; Y527-L706 HydrophobicContact CD2-CD1 3.97Å; Y527-L706 HydrophobicContact CD2-CD2 4.42Å; Y527-L706 HydrophobicContact CD2-CG 4.46Å; Y527-L706 HydrophobicContact CE1-CB 3.89Å; Y527-L706 HydrophobicContact CE2-CB 4.07Å; Y527-L706 HydrophobicContact CE2-CD1 3.97Å; Y527-L706 HydrophobicContact CG-CB 4.32Å; Y527-L706 HydrophobicContact CG-CD2 4.23Å; Y527-L706 PolarHBondContact OH-N 3.49Å; F542-L706 HydrophobicContact CE2-CD1 4.35Å; R702-L706 PolarHBondContact O-N 2.97Å; S703-L706 PolarHBondContact O-N 3.41Å; L704-L706 VanDerWaalsContact C-N 3.27Å; L704-L706 PolarHBondContact O-N 2.83Å; L706-L708 VanDerWaalsContact C-N 3.26Å; L706-L708 PolarHBondContact O-N 2.62Å; L706-A709 PolarHBondContact O-N 3.19Å; L706-A709 VanDerWaalsContact O-N 3.09Å; L706-V710 HydrophobicContact CD1-CG2 4.25Å; L706-V710 WeakPolarHBondContact O-CG2 3.4Å; L706-V710 PolarHBondContact O-N 3.05Å |
| 707 | L | 92.1 | Very high | 85.1 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.9 | -38.2 | 176.7 | -178.8 | 59.2 | 0 | 0 | 0 | 111.8 | L682 S703 L704 V710 S711 L718 Y726 I769 | L682-L707 HydrophobicContact CD1-CB 4.16Å; L682-L707 HydrophobicContact CD1-CD1 4.25Å; L682-L707 HydrophobicContact CD1-CD2 3.94Å; L682-L707 HydrophobicContact CD1-CG 4.34Å; S703-L707 PolarHBondContact O-N 2.97Å; L704-L707 HydrophobicContact CD2-CD2 4.47Å; L704-L707 PolarHBondContact O-N 3.15Å; L707-V710 PolarHBondContact O-N 3.11Å; L707-S711 VanDerWaalsContact O-CB 3.3Å; L707-S711 WeakPolarHBondContact O-CB 3.41Å; L707-S711 PolarHBondContact O-N 2.97Å; L707-S711 PolarHBondContact O-OG 2.93Å; L707-L718 HydrophobicContact CD1-CD1 4.01Å; L707-L718 HydrophobicContact CD1-CD2 3.97Å; L707-Y726 HydrophobicContact CD2-CD1 4.02Å; L707-Y726 HydrophobicContact CD2-CE1 4.2Å; L707-I769 HydrophobicContact CB-CD1 4.21Å; L707-I769 HydrophobicContact CD2-CD1 4.07Å; L707-I769 HydrophobicContact CD2-CG2 4.27Å; L707-I769 HydrophobicContact CG-CD1 4.08Å; L707-I769 HydrophobicContact CG-CG2 4.14Å |
| 708 | L | 90.4 | Very high | 86.4 | Confident | 15 Ų | 15 | 24 Ų | 24 | 8% | 0.079 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 172.9 | -179.7 | 61.9 | 0 | 0 | 0 | 112.1 | L704 L706 V710 S711 V712 I769 | L704-L708 VanDerWaalsContact O-CB 3.32Å; L704-L708 WeakPolarHBondContact O-CB 3.29Å; L704-L708 PolarHBondContact O-N 3.1Å; L706-L708 VanDerWaalsContact C-N 3.26Å; L706-L708 PolarHBondContact O-N 2.62Å; L708-V710 VanDerWaalsContact C-N 3.33Å; L708-V710 PolarHBondContact O-N 3.38Å; L708-S711 PolarHBondContact O-N 3.07Å; L708-V712 HydrophobicContact CD1-CG2 4.18Å; L708-V712 VanDerWaalsContact O-CG2 3.29Å; L708-V712 WeakPolarHBondContact O-CG2 3.4Å; L708-V712 PolarHBondContact O-N 3.09Å; L708-I769 HydrophobicContact CB-CD1 4.29Å; L708-I769 HydrophobicContact CB-CG1 3.78Å; L708-I769 HydrophobicContact CD1-CG1 3.89Å; L708-I769 HydrophobicContact CG-CG1 4.42Å |
| 709 | A | 89.1 | Confident | 86.9 | Confident | 5 Ų | 5 | 24.1 Ų | 24.1 | 4% | 0.041 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q539 F542 R705 L706 Y713 | Q539-A709 HydrophobicContact CG-CB 4.17Å; F542-A709 HydrophobicContact CD2-CB 4.14Å; F542-A709 HydrophobicContact CE2-CB 4.32Å; R705-A709 PolarHBondContact O-N 3.22Å; R705-A709 VanDerWaalsContact O-N 3.14Å; L706-A709 PolarHBondContact O-N 3.19Å; L706-A709 VanDerWaalsContact O-N 3.09Å; A709-Y713 VanDerWaalsContact O-CD2 3.23Å; A709-Y713 WeakPolarHBondContact O-CD2 3.32Å; A709-Y713 PolarHBondContact O-N 3.06Å |
| 710 | V | 90.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.3 | -41 | 175.1 | 178 | 0 | 0 | 0 | 0 | 111.3 | L678 L706 L707 L708 V712 Y713 F714 K715 I717 L718 | L678-V710 HydrophobicContact CD2-CG1 4.43Å; L678-V710 HydrophobicContact CD2-CG2 4.4Å; L706-V710 HydrophobicContact CD1-CG2 4.25Å; L706-V710 WeakPolarHBondContact O-CG2 3.4Å; L706-V710 PolarHBondContact O-N 3.05Å; L707-V710 PolarHBondContact O-N 3.11Å; L708-V710 VanDerWaalsContact C-N 3.33Å; L708-V710 PolarHBondContact O-N 3.38Å; V710-V712 VanDerWaalsContact C-N 3.29Å; V710-V712 PolarHBondContact O-N 3.2Å; V710-Y713 PolarHBondContact O-N 3.08Å; V710-F714 HydrophobicContact CG1-CB 4.28Å; V710-F714 CarbonylContact O-C 3.59Å; V710-F714 VanDerWaalsContact O-C 3.27Å; V710-F714 VanDerWaalsContact O-CA 3.31Å; V710-F714 WeakPolarHBondContact O-CA 3.48Å; V710-F714 PolarHBondContact O-N 3.33Å; V710-K715 PolarHBondContact O-N 3.38Å; V710-I717 HydrophobicContact CG1-CD1 3.7Å; V710-I717 HydrophobicContact CG1-CG1 4.1Å; V710-L718 HydrophobicContact CG1-CD1 4.15Å; V710-L718 HydrophobicContact CG1-CD2 3.81Å; V710-L718 HydrophobicContact CG1-CG 3.99Å |
| 711 | S | 89.2 | Confident | 86.6 | Confident | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.3 | -21.7 | 179.8 | -56.1 | 0 | 0 | 0 | 0 | 113.9 | L707 L708 L718 I769 | L707-S711 VanDerWaalsContact O-CB 3.3Å; L707-S711 WeakPolarHBondContact O-CB 3.41Å; L707-S711 PolarHBondContact O-N 2.97Å; L707-S711 PolarHBondContact O-OG 2.93Å; L708-S711 PolarHBondContact O-N 3.07Å; S711-L718 WeakPolarHBondContact OG-CD1 3.09Å; S711-I769 WeakPolarHBondContact OG-CG2 3.48Å |
| 712 | V | 85.7 | Confident | 86.7 | Confident | 35 Ų | 35 | 22.8 Ų | 22.8 | 21% | 0.212 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -82.8 | -39.1 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 112.1 | L708 V710 P778 | L708-V712 HydrophobicContact CD1-CG2 4.18Å; L708-V712 VanDerWaalsContact O-CG2 3.29Å; L708-V712 WeakPolarHBondContact O-CG2 3.4Å; L708-V712 PolarHBondContact O-N 3.09Å; V710-V712 VanDerWaalsContact C-N 3.29Å; V710-V712 PolarHBondContact O-N 3.2Å; V712-P778 HydrophobicContact CG1-CG 3.95Å; V712-P778 HydrophobicContact CG2-CB 4.01Å; V712-P778 HydrophobicContact CG2-CG 3.76Å |
| 713 | Y | 86.4 | Confident | 86.8 | Confident | 18 Ų | 18 | 19.4 Ų | 19.4 | 7% | 0.071 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -108.4 | -21.2 | -171.3 | -59.6 | -56.9 | 0 | 0 | 0 | 115.1 | Q539 F542 K543 Y546 A709 V710 | Q539-Y713 WeakPolarHBondContact O-CE2 3.37Å; F542-Y713 HydrophobicContact CB-CD2 3.58Å; F542-Y713 HydrophobicContact CB-CE2 4.26Å; F542-Y713 HydrophobicContact CB-CG 4.14Å; K543-Y713 HydrophobicContact CB-CD1 4.18Å; K543-Y713 HydrophobicContact CB-CE1 3.56Å; K543-Y713 HydrophobicContact CB-CE2 4.21Å; K543-Y713 HydrophobicContact CD-CE1 4.06Å; K543-Y713 WeakPolarHBondContact CD-OH 3.45Å; K543-Y713 HydrophobicContact CG-CE1 3.83Å; Y546-Y713 HydrophobicContact CD1-CD1 4.17Å; Y546-Y713 WeakPolarHBondContact CD2-O 3.29Å; Y546-Y713 HydrophobicContact CG-CD1 4.33Å; A709-Y713 VanDerWaalsContact O-CD2 3.23Å; A709-Y713 WeakPolarHBondContact O-CD2 3.32Å; A709-Y713 PolarHBondContact O-N 3.06Å; V710-Y713 PolarHBondContact O-N 3.08Å |
| 714 | F | 86.1 | Confident | 86.7 | Confident | 27 Ų | 27 | 19.7 Ų | 19.7 | 12% | 0.118 | 9% | 0.094 | C | C | . | . | trans | -140.6 | 29.6 | -170.9 | -57.6 | -61.8 | 0 | 0 | 0 | 112.9 | F542 Q545 F670 V710 E716 I717 | F542-F714 HydrophobicContact CB-CE2 3.72Å; F542-F714 HydrophobicContact CB-CZ 4.31Å; F542-F714 HydrophobicContact CD1-CE2 4.03Å; F542-F714 HydrophobicContact CD2-CE2 4.21Å; F542-F714 AromaticContact CG-CE2 3.74Å; F542-F714 HydrophobicContact CG-CE2 3.74Å; Q545-F714 HydrophobicContact CB-CZ 4.29Å; F670-F714 AromaticContact CD2-CD2 3.81Å; F670-F714 HydrophobicContact CD2-CD2 3.81Å; F670-F714 HydrophobicContact CD2-CE1 4.48Å; F670-F714 AromaticContact CD2-CE2 3.65Å; F670-F714 HydrophobicContact CD2-CE2 3.65Å; F670-F714 HydrophobicContact CD2-CG 4.29Å; F670-F714 HydrophobicContact CD2-CZ 4.02Å; F670-F714 HydrophobicContact CE2-CD2 4.06Å; F670-F714 AromaticContact CE2-CE2 3.64Å; F670-F714 HydrophobicContact CE2-CE2 3.64Å; F670-F714 HydrophobicContact CE2-CZ 4.23Å; V710-F714 HydrophobicContact CG1-CB 4.28Å; V710-F714 CarbonylContact O-C 3.59Å; V710-F714 VanDerWaalsContact O-C 3.27Å; V710-F714 VanDerWaalsContact O-CA 3.31Å; V710-F714 WeakPolarHBondContact O-CA 3.48Å; V710-F714 PolarHBondContact O-N 3.33Å; F714-E716 PolarHBondContact O-N 3.37Å; F714-I717 HydrophobicContact CB-CD1 4.18Å; F714-I717 HydrophobicContact CB-CG1 4.47Å; F714-I717 HydrophobicContact CB-CG2 4.31Å; F714-I717 WeakPolarHBondContact O-CG1 3.18Å; F714-I717 PolarHBondContact O-N 2.98Å | ||
| 715 | K | 83.7 | Confident | 86.6 | Confident | 69 Ų | 69 | 22 Ų | 22 | 30% | 0.3 | 11% | 0.107 | S | C | . | . | G | 310 helix | trans | -49.7 | -30.1 | -175.9 | 66.2 | 173.1 | -171.9 | 165.6 | 0 | 114.9 | V710 I717 L718 | V710-K715 PolarHBondContact O-N 3.38Å; K715-I717 PolarHBondContact O-N 2.66Å; K715-L718 WeakPolarHBondContact O-CB 3.45Å; K715-L718 PolarHBondContact O-N 3.42Å |
| 716 | E | 81.4 | Confident | 86.6 | Confident | 50 Ų | 50 | 19 Ų | 19 | 23% | 0.234 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -59.1 | -24.1 | 176.6 | -65.4 | 163.5 | -154.7 | 0 | 0 | 114.1 | R553 P619 F714 Q798 | R553-E716 IonicContact CZ-OE1 2.72Å; R553-E716 IonicContact CZ-OE2 3Å; R553-E716 VanDerWaalsContact CZ-OE2 3.26Å; R553-E716 VanDerWaalsContact NH1-CD 3.25Å; R553-E716 IonicContact NH1-OE1 2.59Å; R553-E716 PolarHBondContact NH1-OE1 3.22Å; R553-E716 IonicContact NH1-OE2 3.62Å; R553-E716 PolarHBondContact NH1-OE2 3.45Å; R553-E716 IonicContact NH2-OE1 3.83Å; R553-E716 IonicContact NH2-OE2 3.64Å; R553-E716 PolarHBondContact NH2-OE2 3.45Å; P619-E716 HydrophobicContact CB-CB 4.13Å; P619-E716 HydrophobicContact CB-CG 4.33Å; P619-E716 WeakPolarHBondContact CB-OE2 3.2Å; P619-E716 WeakPolarHBondContact CG-OE2 3.36Å; F714-E716 PolarHBondContact O-N 3.37Å; E716-Q798 PolarHBondContact O-NE2 2.84Å; E716-Q798 PolarHBondContact O-OE1 3.04Å |
| 717 | I | 86.2 | Confident | 86.5 | Confident | 11 Ų | 11 | 19 Ų | 19 | 6% | 0.056 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -82.3 | -23.2 | 176.2 | 84.8 | -177.6 | 0 | 0 | 0 | 112.2 | F670 R672 F674 V710 F714 K715 | F670-I717 HydrophobicContact CB-CD1 3.73Å; F670-I717 HydrophobicContact CB-CG2 4.23Å; F670-I717 HydrophobicContact CD1-CD1 4.42Å; F670-I717 HydrophobicContact CG-CD1 4.22Å; R672-I717 WeakPolarHBondContact CA-O 3.49Å; F674-I717 HydrophobicContact CD1-CD1 4.44Å; V710-I717 HydrophobicContact CG1-CD1 3.7Å; V710-I717 HydrophobicContact CG1-CG1 4.1Å; F714-I717 HydrophobicContact CB-CD1 4.18Å; F714-I717 HydrophobicContact CB-CG1 4.47Å; F714-I717 HydrophobicContact CB-CG2 4.31Å; F714-I717 WeakPolarHBondContact O-CG1 3.18Å; F714-I717 PolarHBondContact O-N 2.98Å; K715-I717 PolarHBondContact O-N 2.66Å |
| 718 | L | 87.5 | Confident | 86.3 | Confident | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -77.2 | 127 | -172 | -67.6 | 176.3 | 0 | 0 | 0 | 109 | L678 L707 V710 S711 K715 S720 V723 | L678-L718 HydrophobicContact CD2-CD2 4.13Å; L707-L718 HydrophobicContact CD1-CD1 4.01Å; L707-L718 HydrophobicContact CD1-CD2 3.97Å; V710-L718 HydrophobicContact CG1-CD1 4.15Å; V710-L718 HydrophobicContact CG1-CD2 3.81Å; V710-L718 HydrophobicContact CG1-CG 3.99Å; S711-L718 WeakPolarHBondContact OG-CD1 3.09Å; K715-L718 WeakPolarHBondContact O-CB 3.45Å; K715-L718 PolarHBondContact O-N 3.42Å; L718-S720 PolarHBondContact O-N 3.01Å; L718-S720 VanDerWaalsContact O-N 3.1Å; L718-V723 HydrophobicContact CB-CG2 4.13Å; L718-V723 HydrophobicContact CD2-CG2 4.41Å |
| 719 | P | 86.3 | Confident | 86.1 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.013 | 11% | 0.109 | C | C | . | . | trans | -77.4 | 106.3 | 172.7 | 39.3 | -38.3 | 0 | 0 | 0 | 106 | G675 T676 N721 E722 V723 | G675-P719 VanDerWaalsContact C-CD 3.49Å; T676-P719 WeakPolarHBondContact OG1-CG 3.38Å; P719-N721 PolarHBondContact O-N 3.34Å; P719-N721 VanDerWaalsContact O-N 3.17Å; P719-E722 WeakPolarHBondContact CB-OE1 3.39Å; P719-E722 WeakPolarHBondContact CB-OE2 3.47Å; P719-E722 WeakPolarHBondContact CG-OE1 3.47Å; P719-E722 PolarHBondContact O-N 2.62Å; P719-V723 PolarHBondContact O-N 3.46Å | ||
| 720 | S | 78 | Confident | 86 | Confident | 14 Ų | 14 | 20.9 Ų | 20.9 | 10% | 0.098 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.9 | -31.1 | -162.9 | -47.3 | 0 | 0 | 0 | 0 | 112.8 | L718 V723 M724 I802 | L718-S720 PolarHBondContact O-N 3.01Å; L718-S720 VanDerWaalsContact O-N 3.1Å; S720-V723 PolarHBondContact O-N 3.35Å; S720-M724 VanDerWaalsContact O-CG 3.29Å; S720-M724 WeakPolarHBondContact O-CG 3.29Å; S720-M724 PolarHBondContact O-N 2.85Å; S720-I802 WeakPolarHBondContact OG-CD1 3.47Å; S720-I802 WeakPolarHBondContact OG-CG1 3.34Å |
| 721 | N | 78.2 | Confident | 85.9 | Confident | 35 Ų | 35 | 20.9 Ų | 20.9 | 19% | 0.187 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57 | -60 | -179.9 | -56.5 | 37.4 | 0 | 0 | 0 | 111 | P719 V723 M724 D725 S801 Q805 | P719-N721 PolarHBondContact O-N 3.34Å; P719-N721 VanDerWaalsContact O-N 3.17Å; N721-V723 PolarHBondContact O-N 3.4Å; N721-M724 WeakPolarHBondContact O-CB 3.36Å; N721-M724 PolarHBondContact O-N 3.25Å; N721-M724 VanDerWaalsContact O-N 3.13Å; N721-D725 PolarHBondContact O-N 3.14Å; N721-D725 VanDerWaalsContact O-N 3.12Å; N721-S801 PolarHBondContact OD1-OG 3.26Å; N721-Q805 PolarHBondContact ND2-OE1 3Å; N721-Q805 VanDerWaalsContact ND2-OE1 3.09Å |
| 722 | E | 86.4 | Confident | 85.6 | Confident | 54 Ų | 54 | 23.7 Ų | 23.7 | 25% | 0.252 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -65.6 | -29 | 179.4 | -54 | 94.8 | 120.3 | 0 | 0 | 111.8 | V679 P719 Y726 | V679-E722 HydrophobicContact CB-CB 4.4Å; V679-E722 HydrophobicContact CG1-CB 3.66Å; P719-E722 WeakPolarHBondContact CB-OE1 3.39Å; P719-E722 WeakPolarHBondContact CB-OE2 3.47Å; P719-E722 WeakPolarHBondContact CG-OE1 3.47Å; P719-E722 PolarHBondContact O-N 2.62Å; E722-Y726 WeakPolarHBondContact O-CB 3.23Å; E722-Y726 PolarHBondContact O-N 3.27Å |
| 723 | V | 87.9 | Confident | 85 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.5 | -42.9 | 172.5 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | V679 L718 P719 S720 N721 Y726 L727 V773 | V679-V723 HydrophobicContact CG1-CG2 4.48Å; V679-V723 HydrophobicContact CG2-CG2 3.54Å; L718-V723 HydrophobicContact CB-CG2 4.13Å; L718-V723 HydrophobicContact CD2-CG2 4.41Å; P719-V723 PolarHBondContact O-N 3.46Å; S720-V723 PolarHBondContact O-N 3.35Å; N721-V723 PolarHBondContact O-N 3.4Å; V723-Y726 PolarHBondContact O-N 2.81Å; V723-L727 HydrophobicContact CG1-CD1 3.59Å; V723-L727 HydrophobicContact CG1-CG 4.16Å; V723-L727 WeakPolarHBondContact O-CB 3.31Å; V723-L727 WeakPolarHBondContact O-CG 3.4Å; V723-L727 PolarHBondContact O-N 3.27Å; V723-V773 HydrophobicContact CG1-CG2 4.2Å |
| 724 | M | 84.8 | Confident | 83.5 | Confident | 6 Ų | 6 | 29.3 Ų | 29.3 | 3% | 0.03 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.1 | -48.5 | 175.9 | -74.3 | -61.2 | -60.2 | 0 | 0 | 110.7 | S720 N721 Y726 L727 L728 L770 L806 L813 | S720-M724 VanDerWaalsContact O-CG 3.29Å; S720-M724 WeakPolarHBondContact O-CG 3.29Å; S720-M724 PolarHBondContact O-N 2.85Å; N721-M724 WeakPolarHBondContact O-CB 3.36Å; N721-M724 PolarHBondContact O-N 3.25Å; N721-M724 VanDerWaalsContact O-N 3.13Å; M724-Y726 VanDerWaalsContact C-N 3.35Å; M724-Y726 PolarHBondContact O-N 2.67Å; M724-L727 PolarHBondContact O-N 2.83Å; M724-L728 WeakPolarHBondContact O-CB 3.35Å; M724-L728 WeakPolarHBondContact O-CG 3.33Å; M724-L728 PolarHBondContact O-N 3.5Å; M724-L770 HydrophobicContact CE-CD1 3.79Å; M724-L770 HydrophobicContact SD-CD1 3.36Å; M724-L770 WeakPolarHBondContact SD-CD1 3.42Å; M724-L806 HydrophobicContact CE-CD2 4.02Å; M724-L813 HydrophobicContact CE-CD2 4.06Å |
| 725 | D | 86.6 | Confident | 81.9 | Confident | 49 Ų | 49 | 33.4 Ų | 33.4 | 26% | 0.262 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 177.3 | -75 | 7.1 | 0 | 0 | 0 | 112 | F683 N721 L727 C729 R809 | F683-D725 HydrophobicContact CZ-CB 4.05Å; N721-D725 PolarHBondContact O-N 3.14Å; N721-D725 VanDerWaalsContact O-N 3.12Å; D725-L727 PolarHBondContact O-N 2.62Å; D725-C729 WeakPolarHBondContact O-CB 3.18Å; D725-C729 PolarHBondContact O-N 3.29Å; D725-R809 IonicContact OD1-CZ 2.7Å; D725-R809 VanDerWaalsContact OD1-CZ 3.23Å; D725-R809 IonicContact OD1-NE 2.7Å; D725-R809 PolarHBondContact OD1-NE 3.18Å; D725-R809 IonicContact OD1-NH2 3.73Å; D725-R809 PolarHBondContact OD1-NH2 3.1Å; D725-R809 IonicContact OD2-CZ 2.75Å; D725-R809 IonicContact OD2-NH2 3.15Å; D725-R809 PolarHBondContact OD2-NH2 3.29Å |
| 726 | Y | 89.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 176.8 | -174.1 | -110.7 | 0 | 0 | 0 | 112.4 | L682 F683 K686 L704 L707 E722 V723 M724 I730 | L682-Y726 VanDerWaalsContact C-CE2 3.45Å; L682-Y726 HydrophobicContact CB-CD2 4.45Å; L682-Y726 HydrophobicContact CB-CE1 4.06Å; L682-Y726 HydrophobicContact CB-CE2 3.9Å; L682-Y726 HydrophobicContact CD1-CE1 4.22Å; L682-Y726 VanDerWaalsContact O-CE2 3.27Å; L682-Y726 WeakPolarHBondContact O-CE2 3.46Å; L682-Y726 PolarHBondContact O-OH 3Å; F683-Y726 AromaticContact CD1-CD2 3.8Å; F683-Y726 HydrophobicContact CD1-CD2 3.8Å; F683-Y726 HydrophobicContact CD1-CE2 4.47Å; F683-Y726 HydrophobicContact CD2-CD2 4.02Å; F683-Y726 AromaticContact CE1-CD2 3.92Å; F683-Y726 HydrophobicContact CE1-CD2 3.92Å; F683-Y726 HydrophobicContact CE2-CD2 4.13Å; F683-Y726 HydrophobicContact CE2-CG 4.43Å; F683-Y726 AromaticContact CG-CD2 3.86Å; F683-Y726 HydrophobicContact CG-CD2 3.86Å; F683-Y726 HydrophobicContact CG-CE2 4.46Å; F683-Y726 VanDerWaalsContact CZ-CA 3.48Å; F683-Y726 HydrophobicContact CZ-CD2 4.1Å; F683-Y726 HydrophobicContact CZ-CG 4.43Å; K686-Y726 HydrophobicContact CB-CE2 4.13Å; L704-Y726 HydrophobicContact CD2-CE1 3.95Å; L707-Y726 HydrophobicContact CD2-CD1 4.02Å; L707-Y726 HydrophobicContact CD2-CE1 4.2Å; E722-Y726 WeakPolarHBondContact O-CB 3.23Å; E722-Y726 PolarHBondContact O-N 3.27Å; V723-Y726 PolarHBondContact O-N 2.81Å; M724-Y726 VanDerWaalsContact C-N 3.35Å; M724-Y726 PolarHBondContact O-N 2.67Å; Y726-I730 HydrophobicContact CD1-CD1 3.95Å; Y726-I730 HydrophobicContact CE1-CD1 3.46Å; Y726-I730 VanDerWaalsContact CE1-CD1 3.46Å; Y726-I730 HydrophobicContact CE2-CD1 4.18Å; Y726-I730 WeakPolarHBondContact O-CG1 3.29Å; Y726-I730 PolarHBondContact O-N 2.93Å |
| 727 | L | 89.5 | Confident | 78.5 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.6 | -44.7 | 180 | -67.2 | 170.1 | 0 | 0 | 0 | 111.7 | V723 M724 D725 C729 I730 L731 A766 I769 L770 | V723-L727 HydrophobicContact CG1-CD1 3.59Å; V723-L727 HydrophobicContact CG1-CG 4.16Å; V723-L727 WeakPolarHBondContact O-CB 3.31Å; V723-L727 WeakPolarHBondContact O-CG 3.4Å; V723-L727 PolarHBondContact O-N 3.27Å; M724-L727 PolarHBondContact O-N 2.83Å; D725-L727 PolarHBondContact O-N 2.62Å; L727-C729 VanDerWaalsContact C-N 3.29Å; L727-C729 PolarHBondContact O-N 2.69Å; L727-I730 CarbonylContact O-C 3.57Å; L727-I730 WeakPolarHBondContact O-CA 3.5Å; L727-I730 PolarHBondContact O-N 3.32Å; L727-L731 VanDerWaalsContact O-CG 3.3Å; L727-L731 WeakPolarHBondContact O-CG 3.34Å; L727-L731 PolarHBondContact O-N 3.49Å; L727-A766 HydrophobicContact CD2-CB 3.74Å; L727-I769 HydrophobicContact CD1-CB 4.29Å; L727-I769 HydrophobicContact CD1-CG2 3.77Å; L727-I769 HydrophobicContact CD2-CB 3.96Å; L727-I769 HydrophobicContact CD2-CD1 4.1Å; L727-I769 HydrophobicContact CD2-CG2 3.94Å; L727-I769 HydrophobicContact CG-CG2 4.43Å; L727-L770 HydrophobicContact CD1-CB 4.15Å |
| 728 | L | 88 | Confident | 76.4 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.1 | -46.6 | 172.8 | -76.7 | 169.1 | 0 | 0 | 0 | 110.8 | M724 I730 L731 S732 R809 E812 L813 I816 | M724-L728 WeakPolarHBondContact O-CB 3.35Å; M724-L728 WeakPolarHBondContact O-CG 3.33Å; M724-L728 PolarHBondContact O-N 3.5Å; L728-I730 PolarHBondContact O-N 2.94Å; L728-I730 VanDerWaalsContact O-N 3.08Å; L728-L731 PolarHBondContact O-N 2.94Å; L728-S732 PolarHBondContact O-N 2.98Å; L728-S732 PolarHBondContact O-OG 3.01Å; L728-R809 HydrophobicContact CD1-CB 4Å; L728-R809 HydrophobicContact CD1-CG 4.09Å; L728-E812 HydrophobicContact CD2-CB 4.34Å; L728-L813 HydrophobicContact CD2-CB 4.04Å; L728-L813 HydrophobicContact CD2-CD1 3.95Å; L728-I816 HydrophobicContact CD2-CD1 4.41Å |
| 729 | C | 87.1 | Confident | 74.2 | Confident | 52 Ų | 52 | 42.5 Ų | 42.5 | 35% | 0.351 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.5 | -23.1 | 175.1 | -164.4 | 0 | 0 | 0 | 0 | 113.2 | K686 D725 L727 D733 | K686-C729 PolarHBondContact NZ-O 3.45Å; K686-C729 PolarHBondContact NZ-SG 2.96Å; D725-C729 WeakPolarHBondContact O-CB 3.18Å; D725-C729 PolarHBondContact O-N 3.29Å; L727-C729 VanDerWaalsContact C-N 3.29Å; L727-C729 PolarHBondContact O-N 2.69Å; C729-D733 WeakPolarHBondContact O-CB 3.21Å |
| 730 | I | 87.3 | Confident | 72 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -93.4 | -26.2 | 175.4 | -70.6 | 171.6 | 0 | 0 | 0 | 112.6 | K686 L704 Y726 L727 L728 L762 A766 | K686-I730 HydrophobicContact CD-CG1 4.17Å; L704-I730 HydrophobicContact CD1-CD1 4.26Å; L704-I730 HydrophobicContact CD1-CG2 4.39Å; L704-I730 HydrophobicContact CD2-CD1 3.88Å; L704-I730 HydrophobicContact CG-CD1 4.41Å; Y726-I730 HydrophobicContact CD1-CD1 3.95Å; Y726-I730 HydrophobicContact CE1-CD1 3.46Å; Y726-I730 VanDerWaalsContact CE1-CD1 3.46Å; Y726-I730 HydrophobicContact CE2-CD1 4.18Å; Y726-I730 WeakPolarHBondContact O-CG1 3.29Å; Y726-I730 PolarHBondContact O-N 2.93Å; L727-I730 CarbonylContact O-C 3.57Å; L727-I730 WeakPolarHBondContact O-CA 3.5Å; L727-I730 PolarHBondContact O-N 3.32Å; L728-I730 PolarHBondContact O-N 2.94Å; L728-I730 VanDerWaalsContact O-N 3.08Å; I730-L762 HydrophobicContact CG2-CB 4.13Å; I730-A766 HydrophobicContact CB-CB 4.4Å; I730-A766 HydrophobicContact CG2-CB 3.87Å |
| 731 | L | 87.6 | Confident | 69.8 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -79.4 | -32.6 | 177.6 | -65.9 | 173.1 | 0 | 0 | 0 | 112.6 | L727 L728 D733 Q763 A766 L767 L770 L813 I816 F820 | L727-L731 VanDerWaalsContact O-CG 3.3Å; L727-L731 WeakPolarHBondContact O-CG 3.34Å; L727-L731 PolarHBondContact O-N 3.49Å; L728-L731 PolarHBondContact O-N 2.94Å; L731-D733 VanDerWaalsContact C-N 3.33Å; L731-Q763 HydrophobicContact CD2-CB 4.45Å; L731-A766 HydrophobicContact CD2-CB 3.83Å; L731-A766 HydrophobicContact CG-CB 4.15Å; L731-L767 HydrophobicContact CD1-CD2 3.97Å; L731-L767 HydrophobicContact CD2-CD2 3.66Å; L731-L767 HydrophobicContact CD2-CG 3.69Å; L731-L770 HydrophobicContact CD1-CD2 4.35Å; L731-L813 HydrophobicContact CD1-CD1 4.47Å; L731-I816 HydrophobicContact CB-CG2 4.16Å; L731-F820 HydrophobicContact CD2-CE2 4.25Å |
| 732 | S | 82.4 | Confident | 67.5 | Low | 61 Ų | 61 | 58.7 Ų | 58.7 | 43% | 0.427 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -82.6 | -8.3 | 172.9 | -53.3 | 0 | 0 | 0 | 0 | 113.5 | L728 E734 I816 | L728-S732 PolarHBondContact O-N 2.98Å; L728-S732 PolarHBondContact O-OG 3.01Å; S732-E734 PolarHBondContact O-N 3.37Å; S732-E734 VanDerWaalsContact O-N 3.16Å; S732-I816 WeakPolarHBondContact OG-CD1 3.27Å |
| 733 | D | 73.1 | Confident | 64.7 | Low | 56 Ų | 56 | 62.1 Ų | 62.1 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | trans | -73.8 | 105 | -172.8 | -129.8 | 35.6 | 0 | 0 | 0 | 111.9 | K686 C729 L731 S736 | K686-D733 WeakPolarHBondContact CE-OD2 3.44Å; K686-D733 IonicContact NZ-OD1 3.66Å; K686-D733 PolarHBondContact NZ-OD1 3.39Å; K686-D733 IonicContact NZ-OD2 3.57Å; K686-D733 PolarHBondContact NZ-OD2 2.67Å; C729-D733 WeakPolarHBondContact O-CB 3.21Å; L731-D733 VanDerWaalsContact C-N 3.33Å; D733-S736 WeakPolarHBondContact O-CB 3.25Å; D733-S736 PolarHBondContact O-OG 2.71Å | ||
| 734 | E | 56.5 | Low | 61.8 | Low | 116 Ų | 116 | 69.3 Ų | 69.3 | 54% | 0.542 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -50 | -174.5 | -55.7 | -174.4 | 141.4 | 0 | 0 | 112 | S732 S736 P827 I828 | S732-E734 PolarHBondContact O-N 3.37Å; S732-E734 VanDerWaalsContact O-N 3.16Å; E734-S736 PolarHBondContact O-N 3.17Å; E734-P827 HydrophobicContact CG-CB 4.04Å; E734-P827 HydrophobicContact CG-CG 4.34Å; E734-I828 VanDerWaalsContact C-CD1 3.49Å; E734-I828 HydrophobicContact CB-CD1 4.01Å; E734-I828 HydrophobicContact CB-CG1 3.94Å; E734-I828 WeakPolarHBondContact O-CD1 3.47Å |
| 735 | N | 51.6 | Low | 59.1 | Low | 112 Ų | 112 | 77.7 Ų | 77.7 | 60% | 0.599 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 8.6 | -173.4 | -67.9 | -54.1 | 0 | 0 | 0 | 115.4 | S737 V738 | N735-S737 PolarHBondContact O-N 2.89Å; N735-V738 PolarHBondContact O-N 3.43Å |
| 736 | S | 49.1 | Very low | 56.1 | Low | 14 Ų | 14 | 82.7 Ų | 82.7 | 10% | 0.098 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -3 | -168.3 | 52.8 | 0 | 0 | 0 | 0 | 116.1 | D733 E734 Q763 | D733-S736 WeakPolarHBondContact O-CB 3.25Å; D733-S736 PolarHBondContact O-OG 2.71Å; E734-S736 PolarHBondContact O-N 3.17Å; S736-Q763 PolarHBondContact OG-NE2 3.23Å |
| 737 | S | 44.9 | Very low | 53.2 | Low | 83 Ų | 83 | 89.1 Ų | 89.1 | 58% | 0.58 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -36.9 | 174.9 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | N735 L739 N740 | N735-S737 PolarHBondContact O-N 2.89Å; S737-L739 PolarHBondContact O-N 3.44Å; S737-N740 PolarHBondContact O-ND2 3.47Å |
| 738 | V | 42.3 | Very low | 50.1 | Low | 100 Ų | 100 | 94.2 Ų | 94.2 | 61% | 0.606 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -27.1 | -163 | -175.3 | 0 | 0 | 0 | 0 | 113.1 | N735 N740 | N735-V738 PolarHBondContact O-N 3.43Å; V738-N740 PolarHBondContact O-N 2.93Å |
| 739 | L | 40.6 | Very low | 47.1 | Very low | 127 Ų | 127 | 99.4 Ų | 99.4 | 67% | 0.665 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 31.3 | -172.4 | -59.5 | 175.9 | 0 | 0 | 0 | 115.1 | S737 | S737-L739 PolarHBondContact O-N 3.44Š|
| 740 | N | 41.3 | Very low | 44.1 | Very low | 99 Ų | 99 | 102.8 Ų | 102.8 | 53% | 0.529 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.5 | -10.1 | 179.9 | -63.8 | -78.7 | 0 | 0 | 0 | 114.9 | S737 V738 | S737-N740 PolarHBondContact O-ND2 3.47Å; V738-N740 PolarHBondContact O-N 2.93Å |
| 741 | D | 30.7 | Very low | 41 | Very low | 158 Ų | 158 | 108.3 Ų | 108.3 | 85% | 0.845 | 63% | 0.626 | S | S | * | * | trans | -93.9 | 1.9 | -177 | -77.8 | -22.6 | 0 | 0 | 0 | 114.3 | N743 | D741-N743 PolarHBondContact O-N 2.92Š| ||
| 742 | D | 29.5 | Very low | 38 | Very low | 135 Ų | 135 | 115.8 Ų | 115.8 | 72% | 0.722 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -81.3 | 88 | -177.4 | -106.1 | -41.3 | 0 | 0 | 0 | 113.5 | ||
| 743 | N | 27.8 | Very low | 35.2 | Very low | 126 Ų | 126 | 118.4 Ų | 118.4 | 67% | 0.674 | 68% | 0.684 | S | S | * | * | trans | 57.4 | 93.3 | 145.9 | -64.5 | -76.8 | 0 | 0 | 0 | 118.4 | D741 | D741-N743 PolarHBondContact O-N 2.92Š| ||
| 744 | D | 28.2 | Very low | 33.2 | Very low | 151 Ų | 151 | 121.9 Ų | 121.9 | 81% | 0.807 | 70% | 0.703 | S | S | * | * | trans | -134 | 47.2 | 160.9 | -134 | -13.2 | 0 | 0 | 0 | 111.4 | N746 | D744-N746 PolarHBondContact O-N 3.29Š| ||
| 745 | E | 26.6 | Very low | 32 | Very low | 182 Ų | 182 | 121.5 Ų | 121.5 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | trans | -69 | 59.3 | 173.8 | -72.7 | -157.9 | 140.9 | 0 | 0 | 112.6 | ||||
| 746 | N | 25.1 | Very low | 31.5 | Very low | 155 Ų | 155 | 124.7 Ų | 124.7 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | trans | -159 | 43.9 | 172 | -105.8 | -53.6 | 0 | 0 | 0 | 115.8 | D744 | D744-N746 PolarHBondContact O-N 3.29Š| ||
| 747 | V | 28.8 | Very low | 31.3 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -123.8 | 101.2 | 165 | -175 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 748 | S | 24.6 | Very low | 32 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -90.3 | 132.9 | -176.8 | 50 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 749 | S | 23.2 | Very low | 33.3 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | 57.8 | 83.9 | 158.9 | 61.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 750 | S | 24.8 | Very low | 35 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 87% | 0.867 | 69% | 0.692 | S | S | * | * | trans | -140.5 | 118 | 134.9 | 69.8 | 0 | 0 | 0 | 0 | 110.5 | N752 | S750-N752 PolarHBondContact O-N 3.05Š| ||
| 751 | S | 22 | Very low | 37 | Very low | 119 Ų | 119 | 118.7 Ų | 118.7 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | trans | -92.6 | 99.4 | -173.2 | 53.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 752 | N | 25.5 | Very low | 39.6 | Very low | 156 Ų | 156 | 111.8 Ų | 111.8 | 83% | 0.834 | 64% | 0.639 | S | S | * | * | trans | -144.1 | 77.9 | 162.1 | -101.6 | -23.6 | 0 | 0 | 0 | 108.9 | S750 D754 | S750-N752 PolarHBondContact O-N 3.05Å; N752-D754 PolarHBondContact O-N 3.39Å; N752-D754 VanDerWaalsContact O-N 3.16Å | ||
| 753 | S | 23.6 | Very low | 42.4 | Very low | 116 Ų | 116 | 105.6 Ų | 105.6 | 81% | 0.811 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 95.8 | 178 | 51.4 | 0 | 0 | 0 | 0 | 111 | ||
| 754 | D | 29.9 | Very low | 45.3 | Very low | 130 Ų | 130 | 99.6 Ų | 99.6 | 70% | 0.695 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.4 | -13.3 | 158.3 | -120.4 | -10.4 | 0 | 0 | 0 | 114.3 | N752 Y756 | N752-D754 PolarHBondContact O-N 3.39Å; N752-D754 VanDerWaalsContact O-N 3.16Å; D754-Y756 PolarHBondContact O-N 3.36Å; D754-Y756 VanDerWaalsContact O-N 3.15Å |
| 755 | S | 32.4 | Very low | 48.1 | Very low | 108 Ų | 108 | 92.7 Ų | 92.7 | 76% | 0.755 | 54% | 0.537 | S | S | * | . | trans | -83.6 | 83.2 | 171.6 | 60.9 | 0 | 0 | 0 | 0 | 111.7 | D757 | S755-D757 PolarHBondContact O-N 3.49Š| ||
| 756 | Y | 39.8 | Very low | 51.2 | Low | 178 Ų | 178 | 84 Ų | 84 | 70% | 0.698 | 50% | 0.496 | S | S | * | . | trans | -60.2 | 99.4 | 159.3 | -90.8 | -94.5 | 0 | 0 | 0 | 108.7 | D754 D758 | D754-Y756 PolarHBondContact O-N 3.36Å; D754-Y756 VanDerWaalsContact O-N 3.15Å; Y756-D758 PolarHBondContact O-N 2.94Å | ||
| 757 | D | 46.2 | Very low | 54.3 | Low | 129 Ų | 129 | 76.6 Ų | 76.6 | 69% | 0.69 | 46% | 0.457 | S | S | * | . | trans | -69.9 | 115 | -172.2 | -172.8 | 53.1 | 0 | 0 | 0 | 111.7 | S755 S759 | S755-D757 PolarHBondContact O-N 3.49Å; D757-S759 PolarHBondContact O-N 2.86Å; D757-S759 VanDerWaalsContact OD2-CB 3.25Å; D757-S759 WeakPolarHBondContact OD2-CB 3.41Å; D757-S759 PolarHBondContact OD2-OG 3.32Å | ||
| 758 | D | 59.8 | Low | 57.2 | Low | 49 Ų | 49 | 70.8 Ų | 70.8 | 26% | 0.262 | 42% | 0.422 | S | S | . | . | trans | -86.7 | 45.3 | -173.4 | -162.3 | 7.6 | 0 | 0 | 0 | 111.9 | Y756 Y760 R873 R877 | Y756-D758 PolarHBondContact O-N 2.94Å; D758-Y760 PolarHBondContact O-N 2.9Å; D758-R873 IonicContact OD1-NH1 3.89Å; D758-R873 WeakPolarHBondContact OD2-CD 3.03Å; D758-R873 IonicContact OD2-CZ 3.05Å; D758-R873 IonicContact OD2-NE 2.8Å; D758-R873 IonicContact OD2-NH1 2.69Å; D758-R873 PolarHBondContact OD2-NH1 2.9Å; D758-R877 PolarHBondContact O-NH1 3.2Å; D758-R877 VanDerWaalsContact O-NH1 3.16Å; D758-R877 IonicContact OD1-CZ 2.86Å; D758-R877 IonicContact OD1-NH1 2.98Å; D758-R877 IonicContact OD1-NH2 3.33Å; D758-R877 PolarHBondContact OD1-NH2 2.96Å; D758-R877 IonicContact OD2-CZ 3.72Å; D758-R877 IonicContact OD2-NH2 3.45Å; D758-R877 PolarHBondContact OD2-NH2 2.88Å | ||
| 759 | S | 69 | Low | 60.3 | Low | 39 Ų | 39 | 65.7 Ų | 65.7 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 135.9 | -169.8 | -104.4 | 0 | 0 | 0 | 0 | 112.5 | D757 R874 | D757-S759 PolarHBondContact O-N 2.86Å; D757-S759 VanDerWaalsContact OD2-CB 3.25Å; D757-S759 WeakPolarHBondContact OD2-CB 3.41Å; D757-S759 PolarHBondContact OD2-OG 3.32Å; S759-R874 PolarHBondContact O-NH2 3.47Å |
| 760 | Y | 76.3 | Confident | 63.4 | Low | 49 Ų | 49 | 60.2 Ų | 60.2 | 19% | 0.192 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -63 | 134.8 | 179.3 | -88 | -130.6 | 0 | 0 | 0 | 111.1 | D758 E764 M765 T781 | D758-Y760 PolarHBondContact O-N 2.9Å; Y760-E764 HydrophobicContact CD1-CB 3.66Å; Y760-E764 HydrophobicContact CE1-CB 4.3Å; Y760-E764 HydrophobicContact CG-CB 4.19Å; Y760-M765 HydrophobicContact CD1-CG 4.17Å; Y760-M765 HydrophobicContact CG-CG 4.46Å; Y760-T781 HydrophobicContact CD2-CG2 4.4Å; Y760-T781 HydrophobicContact CE2-CG2 3.55Å |
| 761 | T | 83.2 | Confident | 66.3 | Low | 31 Ų | 31 | 54.6 Ų | 54.6 | 19% | 0.19 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 164.2 | 168.4 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | Q763 E764 M765 | T761-Q763 PolarHBondContact O-N 3Å; T761-E764 WeakPolarHBondContact CB-OE1 3.37Å; T761-E764 VanDerWaalsContact CG2-OE1 3.24Å; T761-E764 WeakPolarHBondContact CG2-OE1 3.4Å; T761-E764 PolarHBondContact N-OE1 3.16Å; T761-E764 VanDerWaalsContact N-OE1 3.15Å; T761-E764 PolarHBondContact O-N 2.94Å; T761-E764 VanDerWaalsContact OG1-CD 3.29Å; T761-E764 VanDerWaalsContact OG1-CG 3.3Å; T761-E764 WeakPolarHBondContact OG1-CG 3.3Å; T761-E764 PolarHBondContact OG1-N 3.21Å; T761-E764 PolarHBondContact OG1-OE1 2.76Å; T761-M765 PolarHBondContact O-N 2.96Å |
| 762 | L | 85.7 | Confident | 69.2 | Low | 14 Ų | 14 | 49.3 Ų | 49.3 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.8 | -41.9 | 174 | -55.8 | -179.9 | 0 | 0 | 0 | 111.5 | V700 L704 I730 M765 A766 | V700-L762 HydrophobicContact CB-CD2 4.36Å; V700-L762 HydrophobicContact CG1-CD1 4.3Å; V700-L762 HydrophobicContact CG1-CD2 4.16Å; L704-L762 HydrophobicContact CD1-CB 3.93Å; L704-L762 HydrophobicContact CD1-CD2 3.81Å; L704-L762 HydrophobicContact CD1-CG 4.46Å; I730-L762 HydrophobicContact CG2-CB 4.13Å; L762-M765 HydrophobicContact CD2-CE 3.96Å; L762-M765 PolarHBondContact O-N 3.15Å; L762-A766 WeakPolarHBondContact O-CB 3.34Å; L762-A766 PolarHBondContact O-N 3.41Å |
| 763 | Q | 87.7 | Confident | 71.9 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 175.9 | -66 | 169.1 | -7.3 | 0 | 0 | 112.4 | L731 S736 T761 M765 A766 L767 | L731-Q763 HydrophobicContact CD2-CB 4.45Å; S736-Q763 PolarHBondContact OG-NE2 3.23Å; T761-Q763 PolarHBondContact O-N 3Å; Q763-M765 VanDerWaalsContact C-N 3.32Å; Q763-M765 PolarHBondContact O-N 2.97Å; Q763-A766 PolarHBondContact O-N 3.1Å; Q763-L767 WeakPolarHBondContact O-CG 3.26Å; Q763-L767 PolarHBondContact O-N 2.97Å |
| 764 | E | 88 | Confident | 74.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.8 | -35.2 | 177 | -71.3 | 160 | -109.3 | 0 | 0 | 112.6 | Y760 T761 S768 R874 R877 R878 | Y760-E764 HydrophobicContact CD1-CB 3.66Å; Y760-E764 HydrophobicContact CE1-CB 4.3Å; Y760-E764 HydrophobicContact CG-CB 4.19Å; T761-E764 WeakPolarHBondContact CB-OE1 3.37Å; T761-E764 VanDerWaalsContact CG2-OE1 3.24Å; T761-E764 WeakPolarHBondContact CG2-OE1 3.4Å; T761-E764 PolarHBondContact N-OE1 3.16Å; T761-E764 VanDerWaalsContact N-OE1 3.15Å; T761-E764 PolarHBondContact O-N 2.94Å; T761-E764 VanDerWaalsContact OG1-CD 3.29Å; T761-E764 VanDerWaalsContact OG1-CG 3.3Å; T761-E764 WeakPolarHBondContact OG1-CG 3.3Å; T761-E764 PolarHBondContact OG1-N 3.21Å; T761-E764 PolarHBondContact OG1-OE1 2.76Å; E764-S768 VanDerWaalsContact O-CB 3.32Å; E764-S768 WeakPolarHBondContact O-CB 3.39Å; E764-S768 PolarHBondContact O-N 3.18Å; E764-S768 PolarHBondContact O-OG 3.49Å; E764-R874 WeakPolarHBondContact OE1-CG 3.39Å; E764-R877 HydrophobicContact CG-CB 4.16Å; E764-R877 VanDerWaalsContact OE2-CD 3.23Å; E764-R877 WeakPolarHBondContact OE2-CD 3.28Å; E764-R877 IonicContact OE2-CZ 2.69Å; E764-R877 VanDerWaalsContact OE2-CZ 3.28Å; E764-R877 IonicContact OE2-NE 2.71Å; E764-R877 PolarHBondContact OE2-NE 3.38Å; E764-R877 IonicContact OE2-NH1 3.78Å; E764-R877 PolarHBondContact OE2-NH1 3.46Å; E764-R878 HydrophobicContact CG-CG 3.99Å |
| 765 | M | 88.4 | Confident | 76.4 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.7 | -44.3 | 172 | -69.7 | -169.5 | -74 | 0 | 0 | 110.9 | T701 L704 R705 Y760 T761 L762 Q763 L767 S768 I769 | T701-M765 HydrophobicContact CG2-CE 3.97Å; L704-M765 HydrophobicContact CB-CB 4.15Å; L704-M765 HydrophobicContact CB-CE 4Å; L704-M765 HydrophobicContact CB-SD 4.1Å; L704-M765 HydrophobicContact CD1-CB 4.19Å; L704-M765 HydrophobicContact CD1-CE 4.14Å; R705-M765 HydrophobicContact CG-SD 3.7Å; Y760-M765 HydrophobicContact CD1-CG 4.17Å; Y760-M765 HydrophobicContact CG-CG 4.46Å; T761-M765 PolarHBondContact O-N 2.96Å; L762-M765 HydrophobicContact CD2-CE 3.96Å; L762-M765 PolarHBondContact O-N 3.15Å; Q763-M765 VanDerWaalsContact C-N 3.32Å; Q763-M765 PolarHBondContact O-N 2.97Å; M765-L767 PolarHBondContact O-N 2.69Å; M765-S768 CarbonylContact O-C 3.59Å; M765-S768 WeakPolarHBondContact O-CA 3.39Å; M765-S768 WeakPolarHBondContact O-CB 3.43Å; M765-S768 PolarHBondContact O-N 3.3Å; M765-S768 VanDerWaalsContact O-N 3.09Å; M765-I769 WeakPolarHBondContact O-CD1 3.48Å; M765-I769 VanDerWaalsContact O-CG1 3.23Å; M765-I769 WeakPolarHBondContact O-CG1 3.28Å; M765-I769 PolarHBondContact O-N 3.13Å |
| 766 | A | 91.5 | Very high | 77.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L727 I730 L731 L762 Q763 S768 I769 L770 | L727-A766 HydrophobicContact CD2-CB 3.74Å; I730-A766 HydrophobicContact CB-CB 4.4Å; I730-A766 HydrophobicContact CG2-CB 3.87Å; L731-A766 HydrophobicContact CD2-CB 3.83Å; L731-A766 HydrophobicContact CG-CB 4.15Å; L762-A766 WeakPolarHBondContact O-CB 3.34Å; L762-A766 PolarHBondContact O-N 3.41Å; Q763-A766 PolarHBondContact O-N 3.1Å; A766-S768 VanDerWaalsContact C-N 3.28Å; A766-S768 PolarHBondContact O-N 3.16Å; A766-I769 PolarHBondContact O-N 2.77Å; A766-L770 WeakPolarHBondContact O-CB 3.48Å; A766-L770 PolarHBondContact O-N 3.08Å |
| 767 | L | 90.7 | Very high | 78.5 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.7 | -34.8 | 173.3 | -65.2 | 173.7 | 0 | 0 | 0 | 112.2 | L731 Q763 M765 C771 L817 F820 R878 L881 I885 | L731-L767 HydrophobicContact CD1-CD2 3.97Å; L731-L767 HydrophobicContact CD2-CD2 3.66Å; L731-L767 HydrophobicContact CD2-CG 3.69Å; Q763-L767 WeakPolarHBondContact O-CG 3.26Å; Q763-L767 PolarHBondContact O-N 2.97Å; M765-L767 PolarHBondContact O-N 2.69Å; L767-C771 VanDerWaalsContact O-CB 3.32Å; L767-C771 WeakPolarHBondContact O-CB 3.2Å; L767-C771 PolarHBondContact O-N 3.48Å; L767-L817 HydrophobicContact CD2-CD2 4.08Å; L767-F820 HydrophobicContact CD1-CD2 4.24Å; L767-F820 HydrophobicContact CD1-CE2 4.44Å; L767-F820 HydrophobicContact CD2-CD2 4.45Å; L767-R878 HydrophobicContact CD1-CB 4.07Å; L767-R878 HydrophobicContact CD1-CG 4.08Å; L767-L881 HydrophobicContact CB-CB 3.8Å; L767-L881 HydrophobicContact CB-CD1 3.95Å; L767-L881 HydrophobicContact CB-CG 4.46Å; L767-L881 HydrophobicContact CD1-CB 4.17Å; L767-I885 HydrophobicContact CB-CD1 3.96Å; L767-I885 HydrophobicContact CD2-CD1 3.54Å; L767-I885 HydrophobicContact CG-CD1 4.34Å |
| 768 | S | 89.7 | Confident | 78.6 | Confident | 12 Ų | 12 | 17.5 Ų | 17.5 | 8% | 0.084 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.8 | -38.5 | 176.3 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | E764 M765 A766 C772 L881 | E764-S768 VanDerWaalsContact O-CB 3.32Å; E764-S768 WeakPolarHBondContact O-CB 3.39Å; E764-S768 PolarHBondContact O-N 3.18Å; E764-S768 PolarHBondContact O-OG 3.49Å; M765-S768 CarbonylContact O-C 3.59Å; M765-S768 WeakPolarHBondContact O-CA 3.39Å; M765-S768 WeakPolarHBondContact O-CB 3.43Å; M765-S768 PolarHBondContact O-N 3.3Å; M765-S768 VanDerWaalsContact O-N 3.09Å; A766-S768 VanDerWaalsContact C-N 3.28Å; A766-S768 PolarHBondContact O-N 3.16Å; S768-C772 PolarHBondContact O-N 2.76Å; S768-C772 PolarHBondContact O-SG 3.16Å; S768-L881 WeakPolarHBondContact OG-CD1 3.22Å |
| 769 | I | 89.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.8 | -49.3 | 174.9 | -66.5 | 159.6 | 0 | 0 | 0 | 109.8 | L704 L707 L708 S711 L727 M765 A766 C771 C772 V773 | L704-I769 HydrophobicContact CB-CD1 4.41Å; L704-I769 HydrophobicContact CD2-CD1 3.74Å; L707-I769 HydrophobicContact CB-CD1 4.21Å; L707-I769 HydrophobicContact CD2-CD1 4.07Å; L707-I769 HydrophobicContact CD2-CG2 4.27Å; L707-I769 HydrophobicContact CG-CD1 4.08Å; L707-I769 HydrophobicContact CG-CG2 4.14Å; L708-I769 HydrophobicContact CB-CD1 4.29Å; L708-I769 HydrophobicContact CB-CG1 3.78Å; L708-I769 HydrophobicContact CD1-CG1 3.89Å; L708-I769 HydrophobicContact CG-CG1 4.42Å; S711-I769 WeakPolarHBondContact OG-CG2 3.48Å; L727-I769 HydrophobicContact CD1-CB 4.29Å; L727-I769 HydrophobicContact CD1-CG2 3.77Å; L727-I769 HydrophobicContact CD2-CB 3.96Å; L727-I769 HydrophobicContact CD2-CD1 4.1Å; L727-I769 HydrophobicContact CD2-CG2 3.94Å; L727-I769 HydrophobicContact CG-CG2 4.43Å; M765-I769 WeakPolarHBondContact O-CD1 3.48Å; M765-I769 VanDerWaalsContact O-CG1 3.23Å; M765-I769 WeakPolarHBondContact O-CG1 3.28Å; M765-I769 PolarHBondContact O-N 3.13Å; A766-I769 PolarHBondContact O-N 2.77Å; I769-C771 VanDerWaalsContact C-N 3.31Å; I769-C771 PolarHBondContact O-N 3.38Å; I769-C772 WeakPolarHBondContact O-CA 3.21Å; I769-C772 WeakPolarHBondContact O-CB 3.41Å; I769-C772 PolarHBondContact O-N 3.23Å; I769-V773 HydrophobicContact CG2-CG2 4.34Å; I769-V773 WeakPolarHBondContact O-CG2 3.46Å; I769-V773 PolarHBondContact O-N 2.89Å |
| 770 | L | 88 | Confident | 76.2 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.1 | -46.2 | 177.9 | -179.8 | 52.4 | 0 | 0 | 0 | 111.5 | M724 L727 L731 A766 C772 V773 L774 L813 I885 | M724-L770 HydrophobicContact CE-CD1 3.79Å; M724-L770 HydrophobicContact SD-CD1 3.36Å; M724-L770 WeakPolarHBondContact SD-CD1 3.42Å; L727-L770 HydrophobicContact CD1-CB 4.15Å; L731-L770 HydrophobicContact CD1-CD2 4.35Å; A766-L770 WeakPolarHBondContact O-CB 3.48Å; A766-L770 PolarHBondContact O-N 3.08Å; L770-C772 VanDerWaalsContact C-N 3.31Å; L770-C772 PolarHBondContact O-N 2.85Å; L770-V773 PolarHBondContact O-N 3.33Å; L770-L774 HydrophobicContact CD1-CD1 3.72Å; L770-L774 HydrophobicContact CD1-CG 4.07Å; L770-L774 HydrophobicContact CG-CD1 4.02Å; L770-L774 WeakPolarHBondContact O-CB 3.47Å; L770-L774 VanDerWaalsContact O-CG 3.27Å; L770-L774 WeakPolarHBondContact O-CG 3.3Å; L770-L774 PolarHBondContact O-N 2.77Å; L770-L774 VanDerWaalsContact O-N 3.09Å; L770-L813 HydrophobicContact CD2-CD1 3.81Å; L770-L813 HydrophobicContact CD2-CD2 4.29Å; L770-I885 HydrophobicContact CB-CD1 4.27Å; L770-I885 HydrophobicContact CD2-CD1 3.89Å; L770-I885 HydrophobicContact CD2-CG1 4.35Å; L770-I885 HydrophobicContact CD2-CG2 4.01Å; L770-I885 HydrophobicContact CG-CD1 4.08Å; L770-I885 HydrophobicContact CG-CG1 4.14Å; L770-I885 HydrophobicContact CG-CG2 4.12Å |
| 771 | C | 86 | Confident | 74.2 | Confident | 6 Ų | 6 | 19.5 Ų | 19.5 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.1 | -45.4 | 173.1 | -166.8 | 0 | 0 | 0 | 0 | 111.9 | L767 I769 G775 G776 I885 | L767-C771 VanDerWaalsContact O-CB 3.32Å; L767-C771 WeakPolarHBondContact O-CB 3.2Å; L767-C771 PolarHBondContact O-N 3.48Å; I769-C771 VanDerWaalsContact C-N 3.31Å; I769-C771 PolarHBondContact O-N 3.38Å; C771-G775 PolarHBondContact O-N 3.14Å; C771-G776 CarbonylContact C-O 3.6Å; C771-G776 VanDerWaalsContact O-CA 3.23Å; C771-G776 WeakPolarHBondContact O-CA 3.21Å; C771-G776 PolarHBondContact O-N 2.84Å; C771-I885 HydrophobicContact CB-CG1 4.24Å |
| 772 | C | 83.5 | Confident | 71.7 | Confident | 7 Ų | 7 | 21.8 Ų | 21.8 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.9 | -43 | -180 | -61.9 | 0 | 0 | 0 | 0 | 113.4 | S768 I769 L770 L774 G775 G776 | S768-C772 PolarHBondContact O-N 2.76Å; S768-C772 PolarHBondContact O-SG 3.16Å; I769-C772 WeakPolarHBondContact O-CA 3.21Å; I769-C772 WeakPolarHBondContact O-CB 3.41Å; I769-C772 PolarHBondContact O-N 3.23Å; L770-C772 VanDerWaalsContact C-N 3.31Å; L770-C772 PolarHBondContact O-N 2.85Å; C772-L774 VanDerWaalsContact C-N 3.3Å; C772-L774 PolarHBondContact O-N 3.3Å; C772-G775 PolarHBondContact O-N 3.11Å; C772-G775 VanDerWaalsContact O-N 3.07Å; C772-G776 WeakPolarHBondContact CA-O 3.49Å |
| 773 | V | 81.8 | Confident | 68.9 | Low | 11 Ų | 11 | 23.7 Ų | 23.7 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.6 | -44.1 | 177.8 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | V723 I769 L770 G775 | V723-V773 HydrophobicContact CG1-CG2 4.2Å; I769-V773 HydrophobicContact CG2-CG2 4.34Å; I769-V773 WeakPolarHBondContact O-CG2 3.46Å; I769-V773 PolarHBondContact O-N 2.89Å; L770-V773 PolarHBondContact O-N 3.33Å; V773-G775 PolarHBondContact O-N 3.39Å; V773-G775 VanDerWaalsContact O-N 3.1Å |
| 774 | L | 78.5 | Confident | 66.2 | Low | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 9.6 | 176.8 | -59.7 | 173.8 | 0 | 0 | 0 | 114.5 | L770 C772 I802 L806 I885 C888 L889 | L770-L774 HydrophobicContact CD1-CD1 3.72Å; L770-L774 HydrophobicContact CD1-CG 4.07Å; L770-L774 HydrophobicContact CG-CD1 4.02Å; L770-L774 WeakPolarHBondContact O-CB 3.47Å; L770-L774 VanDerWaalsContact O-CG 3.27Å; L770-L774 WeakPolarHBondContact O-CG 3.3Å; L770-L774 PolarHBondContact O-N 2.77Å; L770-L774 VanDerWaalsContact O-N 3.09Å; C772-L774 VanDerWaalsContact C-N 3.3Å; C772-L774 PolarHBondContact O-N 3.3Å; L774-I802 HydrophobicContact CD2-CG2 4.35Å; L774-L806 HydrophobicContact CD2-CD1 3.73Å; L774-L806 HydrophobicContact CD2-CD2 4.07Å; L774-L806 HydrophobicContact CD2-CG 4.37Å; L774-I885 HydrophobicContact CD1-CG2 3.84Å; L774-C888 HydrophobicContact CB-CB 3.77Å; L774-L889 HydrophobicContact CD1-CD2 3.77Å; L774-L889 HydrophobicContact CD1-CG 4.08Å; L774-L889 HydrophobicContact CD2-CD2 4.03Å |
| 775 | G | 68.7 | Low | 63.2 | Low | 30 Ų | 30 | 32.7 Ų | 32.7 | 31% | 0.309 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -0.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | C771 C772 V773 G777 | C771-G775 PolarHBondContact O-N 3.14Å; C772-G775 PolarHBondContact O-N 3.11Å; C772-G775 VanDerWaalsContact O-N 3.07Å; V773-G775 PolarHBondContact O-N 3.39Å; V773-G775 VanDerWaalsContact O-N 3.1Å; G775-G777 PolarHBondContact O-N 3.25Å |
| 776 | G | 62.9 | Low | 60.4 | Low | 12 Ų | 12 | 37.3 Ų | 37.3 | 12% | 0.124 | 25% | 0.249 | C | C | . | . | trans | -76 | 108.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C771 C772 C888 | C771-G776 CarbonylContact C-O 3.6Å; C771-G776 VanDerWaalsContact O-CA 3.23Å; C771-G776 WeakPolarHBondContact O-CA 3.21Å; C771-G776 PolarHBondContact O-N 2.84Å; C772-G776 WeakPolarHBondContact CA-O 3.49Å; G776-C888 VanDerWaalsContact CA-SG 3.51Å | ||
| 777 | G | 54.2 | Low | 57.2 | Low | 48 Ų | 48 | 43.3 Ų | 43.3 | 50% | 0.495 | 28% | 0.28 | S | S | . | . | trans | -58.9 | 141.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G775 S779 | G775-G777 PolarHBondContact O-N 3.25Å; G777-S779 VanDerWaalsContact C-N 3.25Å; G777-S779 PolarHBondContact O-N 3.37Å; G777-S779 PolarHBondContact O-OG 2.77Å | ||
| 778 | P | 48.2 | Very low | 54.1 | Low | 36 Ų | 36 | 49.2 Ų | 49.2 | 23% | 0.234 | 32% | 0.316 | C | S | . | . | trans | -72.9 | 62.7 | -168.5 | 33.3 | -41.5 | 0 | 0 | 0 | 114 | V712 G780 | V712-P778 HydrophobicContact CG1-CG 3.95Å; V712-P778 HydrophobicContact CG2-CB 4.01Å; V712-P778 HydrophobicContact CG2-CG 3.76Å; P778-G780 PolarHBondContact O-N 3.45Å | ||
| 779 | S | 41.7 | Very low | 51 | Low | 59 Ų | 59 | 56.1 Ų | 56.1 | 41% | 0.413 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 71.4 | 178.8 | 35.8 | 0 | 0 | 0 | 0 | 111.7 | G777 K880 R884 | G777-S779 VanDerWaalsContact C-N 3.25Å; G777-S779 PolarHBondContact O-N 3.37Å; G777-S779 PolarHBondContact O-OG 2.77Å; S779-K880 PolarHBondContact O-NZ 3.31Å; S779-R884 PolarHBondContact O-NH1 2.86Å; S779-R884 VanDerWaalsContact OG-CZ 3.24Å; S779-R884 PolarHBondContact OG-NH1 3.18Å; S779-R884 PolarHBondContact OG-NH2 2.92Å |
| 780 | G | 36.7 | Very low | 47.9 | Very low | 50 Ų | 50 | 60.5 Ų | 60.5 | 52% | 0.515 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.1 | -69.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P778 | P778-G780 PolarHBondContact O-N 3.45Š|
| 781 | T | 32.9 | Very low | 45.2 | Very low | 71 Ų | 71 | 64.6 Ų | 64.6 | 44% | 0.436 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | -24.7 | -161.3 | 38.1 | 0 | 0 | 0 | 0 | 116.8 | Y760 | Y760-T781 HydrophobicContact CD2-CG2 4.4Å; Y760-T781 HydrophobicContact CE2-CG2 3.55Å |
| 782 | F | 31.6 | Very low | 42.7 | Very low | 79 Ų | 79 | 71.4 Ų | 71.4 | 35% | 0.346 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -131.1 | 135.3 | -176.5 | -67.4 | -78.6 | 0 | 0 | 0 | 113.2 | ||
| 783 | S | 27.6 | Very low | 40.3 | Very low | 54 Ų | 54 | 77 Ų | 77 | 38% | 0.378 | 46% | 0.458 | S | S | . | . | trans | 48.5 | 118.8 | 178 | 54.7 | 0 | 0 | 0 | 0 | 118.2 | T785 | S783-T785 PolarHBondContact O-N 3.18Š| ||
| 784 | N | 30.5 | Very low | 38.2 | Very low | 83 Ų | 83 | 78.2 Ų | 78.2 | 44% | 0.444 | 47% | 0.465 | S | S | . | . | trans | -67.7 | 84.1 | 164.8 | -73.5 | -55.6 | 0 | 0 | 0 | 111.6 | Q1145 K1149 | N784-Q1145 PolarHBondContact OD1-NE2 3.38Å; N784-K1149 HydrophobicContact CB-CD 4.48Å; N784-K1149 HydrophobicContact CB-CG 4.22Å; N784-K1149 WeakPolarHBondContact OD1-CE 3.24Å | ||
| 785 | T | 25.8 | Very low | 35.9 | Very low | 110 Ų | 110 | 82.6 Ų | 82.6 | 68% | 0.675 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -95.2 | 167.4 | 149.6 | 44.2 | 0 | 0 | 0 | 0 | 109.7 | S783 K1149 | S783-T785 PolarHBondContact O-N 3.18Å; T785-K1149 VanDerWaalsContact C-NZ 3.32Å; T785-K1149 PolarHBondContact O-NZ 3.05Å |
| 786 | D | 27.9 | Very low | 34.7 | Very low | 103 Ų | 103 | 84.4 Ų | 84.4 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -96.7 | 156.6 | -165.2 | -74.3 | -73.1 | 0 | 0 | 0 | 113.7 | K1149 | D786-K1149 IonicContact OD1-NZ 2.73Å; D786-K1149 PolarHBondContact OD1-NZ 2.9Å; D786-K1149 IonicContact OD2-NZ 3.59Å; D786-K1149 PolarHBondContact OD2-NZ 2.7Å |
| 787 | L | 24.1 | Very low | 33.8 | Very low | 126 Ų | 126 | 92.9 Ų | 92.9 | 66% | 0.66 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -70.8 | 146.9 | 162.5 | -67.6 | 163.3 | 0 | 0 | 0 | 107 | ||
| 788 | T | 25.5 | Very low | 33.5 | Very low | 123 Ų | 123 | 91.8 Ų | 91.8 | 76% | 0.755 | 52% | 0.521 | S | S | * | . | trans | 62.4 | 59.3 | 177.5 | 64.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 789 | E | 24.9 | Very low | 33.6 | Very low | 158 Ų | 158 | 91.3 Ų | 91.3 | 74% | 0.738 | 52% | 0.517 | S | S | * | . | -82.8 | 134.8 | 117.1 | -80.6 | -174 | 161.2 | 0 | 0 | 106.6 | K550 | K550-E789 IonicContact NZ-OE2 3.92Š| |||
| 790 | P | 25.1 | Very low | 34 | Very low | 92 Ų | 92 | 93 Ų | 93 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | trans | -69.9 | 163.6 | 171 | 29 | -32.7 | 0 | 0 | 0 | 111.2 | Q792 | P790-Q792 HydrophobicContact CG-CB 4.32Å; P790-Q792 PolarHBondContact O-N 3.46Å | ||
| 791 | L | 31.7 | Very low | 34.8 | Very low | 87 Ų | 87 | 92.5 Ų | 92.5 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -71.7 | 30.7 | -178.2 | -79 | 159 | 0 | 0 | 0 | 114 | N793 V794 N891 | L791-N793 PolarHBondContact O-N 3.49Å; L791-V794 HydrophobicContact CD2-CG2 4.3Å; L791-N891 HydrophobicContact CD1-CB 4.02Å |
| 792 | Q | 31.9 | Very low | 35.8 | Very low | 148 Ų | 148 | 89.9 Ų | 89.9 | 69% | 0.692 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 0 | -163.8 | -138.2 | 78.5 | 14.7 | 0 | 0 | 116.1 | P790 | P790-Q792 HydrophobicContact CG-CB 4.32Å; P790-Q792 PolarHBondContact O-N 3.46Å |
| 793 | N | 33.1 | Very low | 37 | Very low | 124 Ų | 124 | 87.1 Ų | 87.1 | 66% | 0.663 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.1 | 56.1 | -177.7 | -71.5 | -83.6 | 0 | 0 | 0 | 111.6 | K557 L791 | K557-N793 PolarHBondContact NZ-OD1 2.96Å; L791-N793 PolarHBondContact O-N 3.49Å |
| 794 | V | 38.1 | Very low | 38.5 | Very low | 38 Ų | 38 | 87.3 Ų | 87.3 | 23% | 0.23 | 48% | 0.484 | C | S | . | . | trans | -131.1 | 38.4 | 170.1 | -146.9 | 0 | 0 | 0 | 0 | 112.8 | L791 D796 N799 | L791-V794 HydrophobicContact CD2-CG2 4.3Å; V794-D796 PolarHBondContact O-N 3.35Å; V794-N799 VanDerWaalsContact CG1-ND2 3.29Å; V794-N799 WeakPolarHBondContact CG1-ND2 3.3Å; V794-N799 PolarHBondContact O-ND2 3.4Å | ||
| 795 | A | 31.1 | Very low | 39.9 | Very low | 103 Ų | 103 | 85.4 Ų | 85.4 | 85% | 0.851 | 47% | 0.473 | S | S | * | . | trans | -77.7 | 48.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 796 | D | 43.1 | Very low | 41.7 | Very low | 69 Ų | 69 | 80.5 Ų | 80.5 | 37% | 0.369 | 44% | 0.442 | S | S | . | . | trans | -113 | 133.8 | -172.9 | -127.9 | -42.2 | 0 | 0 | 0 | 111.5 | V794 Q798 N799 | V794-D796 PolarHBondContact O-N 3.35Å; D796-Q798 PolarHBondContact O-N 3.48Å; D796-N799 PolarHBondContact O-N 2.92Å; D796-N799 VanDerWaalsContact O-N 3.11Å | ||
| 797 | K | 43.3 | Very low | 43.6 | Very low | 189 Ų | 189 | 77 Ų | 77 | 82% | 0.822 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -13.3 | -173.7 | -67.4 | -167.9 | 176.4 | -166.8 | 0 | 114.1 | N799 L800 | K797-N799 VanDerWaalsContact C-N 3.3Å; K797-N799 PolarHBondContact O-N 3.27Å; K797-L800 WeakPolarHBondContact O-CB 3.37Å; K797-L800 PolarHBondContact O-N 3.35Å |
| 798 | Q | 48.1 | Very low | 45.9 | Very low | 26 Ų | 26 | 76.9 Ų | 76.9 | 12% | 0.121 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.5 | -35 | 174.6 | -67.4 | -165.5 | -79.5 | 0 | 0 | 112.8 | E716 D796 L800 S801 | E716-Q798 PolarHBondContact O-NE2 2.84Å; E716-Q798 PolarHBondContact O-OE1 3.04Å; D796-Q798 PolarHBondContact O-N 3.48Å; Q798-L800 PolarHBondContact O-N 3.07Å; Q798-S801 PolarHBondContact O-N 2.84Å |
| 799 | N | 50.5 | Low | 48.3 | Very low | 26 Ų | 26 | 74.1 Ų | 74.1 | 14% | 0.139 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.1 | -27.8 | 179.8 | -61.5 | -7.5 | 0 | 0 | 0 | 111.8 | V794 D796 K797 S801 I802 Y803 | V794-N799 VanDerWaalsContact CG1-ND2 3.29Å; V794-N799 WeakPolarHBondContact CG1-ND2 3.3Å; V794-N799 PolarHBondContact O-ND2 3.4Å; D796-N799 PolarHBondContact O-N 2.92Å; D796-N799 VanDerWaalsContact O-N 3.11Å; K797-N799 VanDerWaalsContact C-N 3.3Å; K797-N799 PolarHBondContact O-N 3.27Å; N799-S801 VanDerWaalsContact C-N 3.28Å; N799-S801 PolarHBondContact O-N 2.73Å; N799-I802 CarbonylContact O-C 3.57Å; N799-I802 WeakPolarHBondContact O-CA 3.27Å; N799-I802 VanDerWaalsContact O-CB 3.27Å; N799-I802 WeakPolarHBondContact O-CB 3.4Å; N799-I802 PolarHBondContact O-N 2.83Å; N799-Y803 VanDerWaalsContact C-CD2 3.49Å; N799-Y803 HydrophobicContact CB-CD1 4.5Å; N799-Y803 HydrophobicContact CB-CD2 4.29Å; N799-Y803 HydrophobicContact CB-CE1 3.76Å; N799-Y803 HydrophobicContact CB-CE2 3.53Å; N799-Y803 VanDerWaalsContact CB-OH 3.31Å; N799-Y803 WeakPolarHBondContact CB-OH 3.45Å; N799-Y803 PolarHBondContact ND2-OH 3.07Å; N799-Y803 WeakPolarHBondContact O-CD1 3.28Å; N799-Y803 WeakPolarHBondContact O-CD2 3.41Å; N799-Y803 PolarHBondContact O-N 2.97Å |
| 800 | L | 49.7 | Very low | 50.8 | Low | 94 Ų | 94 | 67 Ų | 67 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.8 | -39.6 | 178.8 | -131 | 75.4 | 0 | 0 | 0 | 112.6 | K797 Q798 I802 Y803 A804 L896 | K797-L800 WeakPolarHBondContact O-CB 3.37Å; K797-L800 PolarHBondContact O-N 3.35Å; Q798-L800 PolarHBondContact O-N 3.07Å; L800-I802 VanDerWaalsContact C-N 3.3Å; L800-I802 PolarHBondContact O-N 2.86Å; L800-Y803 HydrophobicContact CD1-CD2 4.03Å; L800-Y803 HydrophobicContact CD1-CE2 4.2Å; L800-Y803 PolarHBondContact O-N 2.98Å; L800-A804 PolarHBondContact O-N 3.14Å; L800-L896 HydrophobicContact CD1-CD2 4.34Å |
| 801 | S | 53.7 | Low | 53.4 | Low | 39 Ų | 39 | 70.1 Ų | 70.1 | 27% | 0.273 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.7 | -35.2 | 172.6 | -167.3 | 0 | 0 | 0 | 0 | 112.4 | N721 Q798 N799 | N721-S801 PolarHBondContact OD1-OG 3.26Å; Q798-S801 PolarHBondContact O-N 2.84Å; N799-S801 VanDerWaalsContact C-N 3.28Å; N799-S801 PolarHBondContact O-N 2.73Å |
| 802 | I | 55.6 | Low | 55.8 | Low | 16 Ų | 16 | 70 Ų | 70 | 8% | 0.082 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.5 | -42.9 | 178.1 | -47.2 | -174.8 | 0 | 0 | 0 | 109.8 | S720 L774 N799 L800 L806 | S720-I802 WeakPolarHBondContact OG-CD1 3.47Å; S720-I802 WeakPolarHBondContact OG-CG1 3.34Å; L774-I802 HydrophobicContact CD2-CG2 4.35Å; N799-I802 CarbonylContact O-C 3.57Å; N799-I802 WeakPolarHBondContact O-CA 3.27Å; N799-I802 VanDerWaalsContact O-CB 3.27Å; N799-I802 WeakPolarHBondContact O-CB 3.4Å; N799-I802 PolarHBondContact O-N 2.83Å; L800-I802 VanDerWaalsContact C-N 3.3Å; L800-I802 PolarHBondContact O-N 2.86Å; I802-L806 HydrophobicContact CG2-CD1 3.78Å; I802-L806 HydrophobicContact CG2-CG 3.96Å; I802-L806 VanDerWaalsContact O-CB 3.25Å; I802-L806 WeakPolarHBondContact O-CB 3.39Å; I802-L806 VanDerWaalsContact O-CG 3.27Å; I802-L806 WeakPolarHBondContact O-CG 3.3Å; I802-L806 PolarHBondContact O-N 3.28Å |
| 803 | Y | 56.5 | Low | 58.5 | Low | 21 Ų | 21 | 63.1 Ų | 63.1 | 8% | 0.082 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.2 | -43.2 | -172.7 | -52.5 | -42.5 | 0 | 0 | 0 | 113.7 | N799 L800 Q805 L806 T807 V892 L896 | N799-Y803 VanDerWaalsContact C-CD2 3.49Å; N799-Y803 HydrophobicContact CB-CD1 4.5Å; N799-Y803 HydrophobicContact CB-CD2 4.29Å; N799-Y803 HydrophobicContact CB-CE1 3.76Å; N799-Y803 HydrophobicContact CB-CE2 3.53Å; N799-Y803 VanDerWaalsContact CB-OH 3.31Å; N799-Y803 WeakPolarHBondContact CB-OH 3.45Å; N799-Y803 PolarHBondContact ND2-OH 3.07Å; N799-Y803 WeakPolarHBondContact O-CD1 3.28Å; N799-Y803 WeakPolarHBondContact O-CD2 3.41Å; N799-Y803 PolarHBondContact O-N 2.97Å; L800-Y803 HydrophobicContact CD1-CD2 4.03Å; L800-Y803 HydrophobicContact CD1-CE2 4.2Å; L800-Y803 PolarHBondContact O-N 2.98Å; Y803-Q805 VanDerWaalsContact C-N 3.33Å; Y803-Q805 PolarHBondContact O-N 3.43Å; Y803-L806 PolarHBondContact O-N 3.09Å; Y803-T807 PolarHBondContact O-N 3.21Å; Y803-T807 PolarHBondContact O-OG1 3.07Å; Y803-T807 VanDerWaalsContact O-OG1 3.07Å; Y803-V892 HydrophobicContact CD1-CG1 3.56Å; Y803-V892 HydrophobicContact CE1-CB 4.3Å; Y803-V892 HydrophobicContact CE1-CG1 3.51Å; Y803-V892 HydrophobicContact CE1-CG2 4.41Å; Y803-L896 VanDerWaalsContact CB-CD1 3.47Å; Y803-L896 HydrophobicContact CD1-CD1 3.74Å; Y803-L896 HydrophobicContact CD1-CG 4.3Å; Y803-L896 HydrophobicContact CD2-CD1 3.16Å; Y803-L896 HydrophobicContact CD2-CD2 3.63Å; Y803-L896 HydrophobicContact CD2-CG 3.38Å; Y803-L896 HydrophobicContact CE1-CD1 4.16Å; Y803-L896 HydrophobicContact CE1-CG 4.23Å; Y803-L896 HydrophobicContact CE2-CD1 3.65Å; Y803-L896 HydrophobicContact CE2-CD2 3.59Å; Y803-L896 HydrophobicContact CE2-CG 3.3Å; Y803-L896 HydrophobicContact CG-CD1 3.19Å; Y803-L896 HydrophobicContact CG-CG 3.89Å |
| 804 | A | 58.7 | Low | 61.3 | Low | 58 Ų | 58 | 57.5 Ų | 57.5 | 48% | 0.479 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L800 T807 E808 | L800-A804 PolarHBondContact O-N 3.14Å; A804-T807 WeakPolarHBondContact O-CB 3.02Å; A804-T807 PolarHBondContact O-N 2.7Å; A804-E808 PolarHBondContact O-N 3.28Å |
| 805 | Q | 60.2 | Low | 63.8 | Low | 44 Ų | 44 | 59.2 Ų | 59.2 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -80 | -23.7 | 179.6 | -68 | -152.3 | -35.9 | 0 | 0 | 114.8 | N721 Y803 T807 E808 R809 | N721-Q805 PolarHBondContact ND2-OE1 3Å; N721-Q805 VanDerWaalsContact ND2-OE1 3.09Å; Y803-Q805 VanDerWaalsContact C-N 3.33Å; Y803-Q805 PolarHBondContact O-N 3.43Å; Q805-T807 PolarHBondContact O-N 2.93Å; Q805-E808 PolarHBondContact O-N 2.95Å; Q805-R809 WeakPolarHBondContact O-CB 3.38Å; Q805-R809 PolarHBondContact O-N 3.1Å |
| 806 | L | 63.6 | Low | 66.6 | Low | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.2 | -26.5 | 168 | -88.8 | 177.8 | 0 | 0 | 0 | 112 | M724 L774 I802 Y803 S810 L889 V892 | M724-L806 HydrophobicContact CE-CD2 4.02Å; L774-L806 HydrophobicContact CD2-CD1 3.73Å; L774-L806 HydrophobicContact CD2-CD2 4.07Å; L774-L806 HydrophobicContact CD2-CG 4.37Å; I802-L806 HydrophobicContact CG2-CD1 3.78Å; I802-L806 HydrophobicContact CG2-CG 3.96Å; I802-L806 VanDerWaalsContact O-CB 3.25Å; I802-L806 WeakPolarHBondContact O-CB 3.39Å; I802-L806 VanDerWaalsContact O-CG 3.27Å; I802-L806 WeakPolarHBondContact O-CG 3.3Å; I802-L806 PolarHBondContact O-N 3.28Å; Y803-L806 PolarHBondContact O-N 3.09Å; L806-S810 VanDerWaalsContact O-CB 3.24Å; L806-S810 WeakPolarHBondContact O-CB 3.48Å; L806-S810 PolarHBondContact O-N 3.06Å; L806-L889 HydrophobicContact CD1-CD2 3.74Å; L806-L889 HydrophobicContact CD2-CD2 3.46Å; L806-L889 VanDerWaalsContact CD2-CD2 3.46Å; L806-L889 HydrophobicContact CG-CD2 4.19Å; L806-V892 HydrophobicContact CD1-CG1 3.76Å |
| 807 | T | 67.6 | Low | 68.9 | Low | 29 Ų | 29 | 51.9 Ų | 51.9 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -75.4 | -54.5 | 173.2 | -48.2 | 0 | 0 | 0 | 0 | 109.4 | Y803 A804 Q805 R809 S810 R928 | Y803-T807 PolarHBondContact O-N 3.21Å; Y803-T807 PolarHBondContact O-OG1 3.07Å; Y803-T807 VanDerWaalsContact O-OG1 3.07Å; A804-T807 WeakPolarHBondContact O-CB 3.02Å; A804-T807 PolarHBondContact O-N 2.7Å; Q805-T807 PolarHBondContact O-N 2.93Å; T807-R809 PolarHBondContact O-N 3.41Å; T807-S810 WeakPolarHBondContact O-CB 3.27Å; T807-S810 PolarHBondContact O-N 3.16Å; T807-S810 VanDerWaalsContact O-N 3.1Å; T807-S810 PolarHBondContact O-OG 3.41Å; T807-R928 HydrophobicContact CG2-CB 4.17Å |
| 808 | E | 72.2 | Confident | 71.3 | Confident | 125 Ų | 125 | 45.1 Ų | 45.1 | 58% | 0.584 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -53.5 | -45.7 | 177.5 | -173 | 179.2 | -161.5 | 0 | 0 | 113.4 | A804 Q805 | A804-E808 PolarHBondContact O-N 3.28Å; Q805-E808 PolarHBondContact O-N 2.95Å |
| 809 | R | 76.1 | Confident | 73.4 | Confident | 64 Ų | 64 | 47 Ų | 47 | 24% | 0.242 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 3.2 | -179.9 | -65.1 | -63.4 | -161.9 | -154.8 | -8.1 | 114.2 | D725 L728 Q805 T807 E811 E812 L813 | D725-R809 IonicContact OD1-CZ 2.7Å; D725-R809 VanDerWaalsContact OD1-CZ 3.23Å; D725-R809 IonicContact OD1-NE 2.7Å; D725-R809 PolarHBondContact OD1-NE 3.18Å; D725-R809 IonicContact OD1-NH2 3.73Å; D725-R809 PolarHBondContact OD1-NH2 3.1Å; D725-R809 IonicContact OD2-CZ 2.75Å; D725-R809 IonicContact OD2-NH2 3.15Å; D725-R809 PolarHBondContact OD2-NH2 3.29Å; L728-R809 HydrophobicContact CD1-CB 4Å; L728-R809 HydrophobicContact CD1-CG 4.09Å; Q805-R809 WeakPolarHBondContact O-CB 3.38Å; Q805-R809 PolarHBondContact O-N 3.1Å; T807-R809 PolarHBondContact O-N 3.41Å; R809-E811 VanDerWaalsContact C-N 3.28Å; R809-E811 PolarHBondContact O-N 2.92Å; R809-E812 VanDerWaalsContact CD-OE1 3.27Å; R809-E812 WeakPolarHBondContact CD-OE1 3.37Å; R809-E812 IonicContact CZ-OE1 3.39Å; R809-E812 IonicContact NE-OE1 2.71Å; R809-E812 IonicContact NH1-OE1 3.48Å; R809-E812 PolarHBondContact NH1-OE1 3.37Å; R809-E812 PolarHBondContact O-N 3.43Å; R809-L813 VanDerWaalsContact O-CB 3.3Å; R809-L813 WeakPolarHBondContact O-CB 3.34Å; R809-L813 PolarHBondContact O-N 3.16Å |
| 810 | S | 77.2 | Confident | 75.3 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.3 | -35.5 | 178.2 | 63.6 | 0 | 0 | 0 | 0 | 112.2 | L806 T807 E812 L813 L814 L932 | L806-S810 VanDerWaalsContact O-CB 3.24Å; L806-S810 WeakPolarHBondContact O-CB 3.48Å; L806-S810 PolarHBondContact O-N 3.06Å; T807-S810 WeakPolarHBondContact O-CB 3.27Å; T807-S810 PolarHBondContact O-N 3.16Å; T807-S810 VanDerWaalsContact O-N 3.1Å; T807-S810 PolarHBondContact O-OG 3.41Å; S810-E812 VanDerWaalsContact C-N 3.35Å; S810-E812 PolarHBondContact O-N 2.89Å; S810-L813 PolarHBondContact O-N 3.01Å; S810-L814 VanDerWaalsContact O-CB 3.31Å; S810-L814 WeakPolarHBondContact O-CB 3.44Å; S810-L814 VanDerWaalsContact O-CG 3.25Å; S810-L814 WeakPolarHBondContact O-CG 3.39Å; S810-L814 PolarHBondContact O-N 3.05Å; S810-L932 VanDerWaalsContact CB-CD1 3.44Å |
| 811 | E | 78.9 | Confident | 77.4 | Confident | 159 Ų | 159 | 41.2 Ų | 41.2 | 74% | 0.743 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -64.3 | -37.1 | -178.3 | -59 | -176.5 | 179.2 | 0 | 0 | 112.2 | R809 P815 | R809-E811 VanDerWaalsContact C-N 3.28Å; R809-E811 PolarHBondContact O-N 2.92Å; E811-P815 WeakPolarHBondContact O-CD 3.19Å; E811-P815 VanDerWaalsContact O-CG 3.28Å; E811-P815 WeakPolarHBondContact O-CG 3.42Å |
| 812 | E | 83.4 | Confident | 79.1 | Confident | 85 Ų | 85 | 39.8 Ų | 39.8 | 40% | 0.397 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -76.5 | -42.7 | 172 | -67.2 | 178.3 | -116.1 | 0 | 0 | 112.2 | L728 R809 S810 I816 | L728-E812 HydrophobicContact CD2-CB 4.34Å; R809-E812 VanDerWaalsContact CD-OE1 3.27Å; R809-E812 WeakPolarHBondContact CD-OE1 3.37Å; R809-E812 IonicContact CZ-OE1 3.39Å; R809-E812 IonicContact NE-OE1 2.71Å; R809-E812 IonicContact NH1-OE1 3.48Å; R809-E812 PolarHBondContact NH1-OE1 3.37Å; R809-E812 PolarHBondContact O-N 3.43Å; S810-E812 VanDerWaalsContact C-N 3.35Å; S810-E812 PolarHBondContact O-N 2.89Å; E812-I816 WeakPolarHBondContact O-CD1 3.45Å; E812-I816 WeakPolarHBondContact O-CG1 3.48Å |
| 813 | L | 88.8 | Confident | 80.4 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.5 | -45.6 | -170.3 | -179.6 | 59.7 | 0 | 0 | 0 | 113 | M724 L728 L731 L770 R809 S810 I816 L817 L889 | M724-L813 HydrophobicContact CE-CD2 4.06Å; L728-L813 HydrophobicContact CD2-CB 4.04Å; L728-L813 HydrophobicContact CD2-CD1 3.95Å; L731-L813 HydrophobicContact CD1-CD1 4.47Å; L770-L813 HydrophobicContact CD2-CD1 3.81Å; L770-L813 HydrophobicContact CD2-CD2 4.29Å; R809-L813 VanDerWaalsContact O-CB 3.3Å; R809-L813 WeakPolarHBondContact O-CB 3.34Å; R809-L813 PolarHBondContact O-N 3.16Å; S810-L813 PolarHBondContact O-N 3.01Å; L813-I816 WeakPolarHBondContact O-CB 3.47Å; L813-I816 PolarHBondContact O-N 3.4Å; L813-L817 HydrophobicContact CD1-CD1 4.06Å; L813-L817 HydrophobicContact CD1-CD2 4.25Å; L813-L817 HydrophobicContact CD1-CG 3.94Å; L813-L817 HydrophobicContact CD2-CD1 4.19Å; L813-L817 HydrophobicContact CG-CD1 3.75Å; L813-L817 HydrophobicContact CG-CG 4.07Å; L813-L817 WeakPolarHBondContact O-CG 3.3Å; L813-L817 PolarHBondContact O-N 3.5Å; L813-L889 HydrophobicContact CD2-CD1 4.28Å |
| 814 | L | 90.8 | Very high | 81.4 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -40.9 | -169.8 | -65.9 | 172.5 | 0 | 0 | 0 | 113.1 | S810 I816 L817 H818 L886 L889 N935 I936 I939 | S810-L814 VanDerWaalsContact O-CB 3.31Å; S810-L814 WeakPolarHBondContact O-CB 3.44Å; S810-L814 VanDerWaalsContact O-CG 3.25Å; S810-L814 WeakPolarHBondContact O-CG 3.39Å; S810-L814 PolarHBondContact O-N 3.05Å; L814-I816 VanDerWaalsContact C-N 3.32Å; L814-I816 PolarHBondContact O-N 2.99Å; L814-L817 HydrophobicContact CD2-CD1 4.42Å; L814-L817 PolarHBondContact O-N 2.95Å; L814-H818 WeakPolarHBondContact O-CB 3.41Å; L814-H818 PolarHBondContact O-N 3.32Å; L814-L886 HydrophobicContact CD2-CD2 3.61Å; L814-L889 HydrophobicContact CD2-CD1 4.27Å; L814-N935 HydrophobicContact CD1-CB 4.27Å; L814-I936 HydrophobicContact CD1-CG1 4.22Å; L814-I936 HydrophobicContact CD2-CG1 4.05Å; L814-I939 HydrophobicContact CB-CD1 3.62Å; L814-I939 HydrophobicContact CD1-CD1 4.2Å; L814-I939 HydrophobicContact CG-CD1 4.43Å |
| 815 | P | 90.7 | Very high | 82.2 | Confident | 73 Ų | 73 | 37.3 Ų | 37.3 | 47% | 0.474 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.6 | -35.4 | 173.3 | -24.7 | 36.1 | 0 | 0 | 0 | 113.5 | E811 R819 | E811-P815 WeakPolarHBondContact O-CD 3.19Å; E811-P815 VanDerWaalsContact O-CG 3.28Å; E811-P815 WeakPolarHBondContact O-CG 3.42Å; P815-R819 WeakPolarHBondContact O-CB 3.19Å; P815-R819 PolarHBondContact O-N 2.98Å |
| 816 | I | 90.3 | Very high | 82.4 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 10% | 0.097 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.4 | -43.4 | 175.1 | -63.8 | 171.9 | 0 | 0 | 0 | 110.3 | L728 L731 S732 E812 L813 L814 F820 | L728-I816 HydrophobicContact CD2-CD1 4.41Å; L731-I816 HydrophobicContact CB-CG2 4.16Å; S732-I816 WeakPolarHBondContact OG-CD1 3.27Å; E812-I816 WeakPolarHBondContact O-CD1 3.45Å; E812-I816 WeakPolarHBondContact O-CG1 3.48Å; L813-I816 WeakPolarHBondContact O-CB 3.47Å; L813-I816 PolarHBondContact O-N 3.4Å; L814-I816 VanDerWaalsContact C-N 3.32Å; L814-I816 PolarHBondContact O-N 2.99Å; I816-F820 HydrophobicContact CG2-CD2 3.73Å; I816-F820 HydrophobicContact CG2-CE2 3.45Å; I816-F820 VanDerWaalsContact CG2-CE2 3.45Å; I816-F820 HydrophobicContact CG2-CZ 4.38Å; I816-F820 VanDerWaalsContact O-CD2 3.25Å; I816-F820 WeakPolarHBondContact O-CD2 3.36Å; I816-F820 WeakPolarHBondContact O-CG 3.4Å; I816-F820 PolarHBondContact O-N 3.46Å |
| 817 | L | 92.2 | Very high | 81.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.2 | -46.2 | 175.6 | -64.7 | 177.6 | 0 | 0 | 0 | 111.3 | L767 L813 L814 F820 C821 I885 L886 L889 | L767-L817 HydrophobicContact CD2-CD2 4.08Å; L813-L817 HydrophobicContact CD1-CD1 4.06Å; L813-L817 HydrophobicContact CD1-CD2 4.25Å; L813-L817 HydrophobicContact CD1-CG 3.94Å; L813-L817 HydrophobicContact CD2-CD1 4.19Å; L813-L817 HydrophobicContact CG-CD1 3.75Å; L813-L817 HydrophobicContact CG-CG 4.07Å; L813-L817 WeakPolarHBondContact O-CG 3.3Å; L813-L817 PolarHBondContact O-N 3.5Å; L814-L817 HydrophobicContact CD2-CD1 4.42Å; L814-L817 PolarHBondContact O-N 2.95Å; L817-F820 PolarHBondContact O-N 3.37Å; L817-C821 PolarHBondContact O-N 2.97Å; L817-C821 PolarHBondContact O-SG 2.89Å; L817-I885 HydrophobicContact CD1-CB 4.28Å; L817-I885 HydrophobicContact CD1-CG2 3.57Å; L817-I885 HydrophobicContact CD2-CB 4.17Å; L817-I885 HydrophobicContact CD2-CD1 3.91Å; L817-I885 HydrophobicContact CD2-CG2 4.04Å; L817-I885 HydrophobicContact CG-CG2 4.49Å; L817-L886 HydrophobicContact CB-CD2 4.34Å; L817-L886 HydrophobicContact CB-CG 4.44Å; L817-L886 HydrophobicContact CD1-CD2 3.78Å; L817-L886 HydrophobicContact CD1-CG 4.11Å; L817-L889 HydrophobicContact CD1-CD1 4.24Å |
| 818 | H | 93.8 | Very high | 81.1 | Confident | 47 Ų | 47 | 38.8 Ų | 38.8 | 22% | 0.218 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -52.4 | -55.7 | 174.3 | 173.4 | -101.4 | 0 | 0 | 0 | 111.3 | L814 F820 C821 C822 I939 D942 | L814-H818 WeakPolarHBondContact O-CB 3.41Å; L814-H818 PolarHBondContact O-N 3.32Å; H818-F820 VanDerWaalsContact C-N 3.32Å; H818-F820 PolarHBondContact O-N 3.45Å; H818-C821 WeakPolarHBondContact O-CA 3.39Å; H818-C821 WeakPolarHBondContact O-CB 3.49Å; H818-C821 PolarHBondContact O-N 3.48Å; H818-C822 PolarHBondContact NE2-SG 3.31Å; H818-C822 VanDerWaalsContact NE2-SG 3.36Å; H818-C822 PolarHBondContact O-N 3.01Å; H818-I939 HydrophobicContact CB-CG2 4.07Å; H818-D942 IonicContact CD2-OD2 2.71Å; H818-D942 IonicContact CE1-OD2 3.88Å; H818-D942 IonicContact NE2-OD2 3.94Å; H818-D942 PolarHBondContact NE2-OD2 3Å |
| 819 | R | 90.8 | Very high | 80.1 | Confident | 64 Ų | 64 | 35.3 Ų | 35.3 | 24% | 0.242 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.8 | -42.8 | 179.3 | -168.3 | 175.4 | 63.5 | 69.5 | 11.8 | 112.2 | P815 C821 T823 G824 I825 | P815-R819 WeakPolarHBondContact O-CB 3.19Å; P815-R819 PolarHBondContact O-N 2.98Å; R819-C821 VanDerWaalsContact C-N 3.32Å; R819-C821 PolarHBondContact O-N 3.29Å; R819-T823 PolarHBondContact O-N 2.81Å; R819-T823 PolarHBondContact O-OG1 3.02Å; R819-G824 PolarHBondContact O-N 2.93Å; R819-I825 PolarHBondContact NH1-O 3.2Å |
| 820 | F | 91.4 | Very high | 78.5 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.1 | -21.4 | 174.7 | -72.9 | -42.2 | 0 | 0 | 0 | 114.1 | L731 L767 I816 L817 H818 G824 I825 R878 S879 S882 | L731-F820 HydrophobicContact CD2-CE2 4.25Å; L767-F820 HydrophobicContact CD1-CD2 4.24Å; L767-F820 HydrophobicContact CD1-CE2 4.44Å; L767-F820 HydrophobicContact CD2-CD2 4.45Å; I816-F820 HydrophobicContact CG2-CD2 3.73Å; I816-F820 HydrophobicContact CG2-CE2 3.45Å; I816-F820 VanDerWaalsContact CG2-CE2 3.45Å; I816-F820 HydrophobicContact CG2-CZ 4.38Å; I816-F820 VanDerWaalsContact O-CD2 3.25Å; I816-F820 WeakPolarHBondContact O-CD2 3.36Å; I816-F820 WeakPolarHBondContact O-CG 3.4Å; I816-F820 PolarHBondContact O-N 3.46Å; L817-F820 PolarHBondContact O-N 3.37Å; H818-F820 VanDerWaalsContact C-N 3.32Å; H818-F820 PolarHBondContact O-N 3.45Å; F820-G824 WeakPolarHBondContact O-CA 3.3Å; F820-G824 PolarHBondContact O-N 3.3Å; F820-I825 WeakPolarHBondContact CD1-O 3.49Å; F820-I825 WeakPolarHBondContact CE1-O 3.5Å; F820-R878 HydrophobicContact CB-CB 4.35Å; F820-R878 HydrophobicContact CD1-CB 4.08Å; F820-R878 HydrophobicContact CG-CB 4.24Å; F820-S879 WeakPolarHBondContact O-CA 3.29Å; F820-S879 VanDerWaalsContact O-CB 3.28Å; F820-S879 WeakPolarHBondContact O-CB 3.17Å; F820-S879 PolarHBondContact O-N 3.06Å; F820-S879 PolarHBondContact O-OG 2.9Å; F820-S882 VanDerWaalsContact CB-OG 3.28Å; F820-S882 WeakPolarHBondContact CB-OG 3.32Å |
| 821 | C | 92.1 | Very high | 76.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -78.4 | -44.5 | 173.8 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | L817 H818 R819 S882 I883 I943 S963 | L817-C821 PolarHBondContact O-N 2.97Å; L817-C821 PolarHBondContact O-SG 2.89Å; H818-C821 WeakPolarHBondContact O-CA 3.39Å; H818-C821 WeakPolarHBondContact O-CB 3.49Å; H818-C821 PolarHBondContact O-N 3.48Å; R819-C821 VanDerWaalsContact C-N 3.32Å; R819-C821 PolarHBondContact O-N 3.29Å; C821-S882 WeakPolarHBondContact SG-CB 3.36Å; C821-I883 HydrophobicContact CB-CD1 4.04Å; C821-I883 WeakPolarHBondContact SG-CD1 3.42Å; C821-I943 HydrophobicContact CB-CD1 3.81Å; C821-I943 HydrophobicContact CB-CG1 4.04Å; C821-I943 HydrophobicContact CB-CG2 3.88Å; C821-S963 VanDerWaalsContact C-OG 3.27Å; C821-S963 VanDerWaalsContact CA-OG 3.25Å; C821-S963 WeakPolarHBondContact CA-OG 3.1Å; C821-S963 WeakPolarHBondContact CB-OG 3.44Å; C821-S963 WeakPolarHBondContact O-CB 3.29Å; C821-S963 PolarHBondContact O-OG 3.38Å |
| 822 | C | 90.1 | Very high | 74.8 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -78.5 | -59.5 | -176 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | H818 V946 S959 C960 | H818-C822 PolarHBondContact NE2-SG 3.31Å; H818-C822 VanDerWaalsContact NE2-SG 3.36Å; H818-C822 PolarHBondContact O-N 3.01Å; C822-V946 HydrophobicContact CB-CG1 4Å; C822-S959 WeakPolarHBondContact O-CB 3.47Å; C822-C960 PolarHBondContact O-SG 3.29Å |
| 823 | T | 83.9 | Confident | 72.6 | Confident | 25 Ų | 25 | 37.2 Ų | 37.2 | 15% | 0.153 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -38.4 | 179.2 | 71.1 | 0 | 0 | 0 | 0 | 112.7 | R819 I825 D956 S959 | R819-T823 PolarHBondContact O-N 2.81Å; R819-T823 PolarHBondContact O-OG1 3.02Å; T823-I825 PolarHBondContact O-N 3.19Å; T823-I825 PolarHBondContact OG1-N 3.16Å; T823-I825 VanDerWaalsContact OG1-N 3.15Å; T823-D956 WeakPolarHBondContact CA-OD1 3.47Å; T823-D956 WeakPolarHBondContact CB-OD1 3.39Å; T823-D956 WeakPolarHBondContact CG2-OD1 3.38Å; T823-S959 VanDerWaalsContact C-CB 3.5Å; T823-S959 WeakPolarHBondContact O-CB 3.17Å; T823-S959 PolarHBondContact O-OG 2.78Å |
| 824 | G | 76.2 | Confident | 70.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | 72.9 | 5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R819 F820 E875 R878 | R819-G824 PolarHBondContact O-N 2.93Å; F820-G824 WeakPolarHBondContact O-CA 3.3Å; F820-G824 PolarHBondContact O-N 3.3Å; G824-E875 WeakPolarHBondContact O-CA 3.21Å; G824-E875 WeakPolarHBondContact O-CG 3.31Å; G824-R878 PolarHBondContact O-NE 3.22Å; G824-R878 PolarHBondContact O-NH2 3.15Å | ||
| 825 | I | 75.2 | Confident | 67.6 | Low | 17 Ų | 17 | 47.7 Ų | 47.7 | 9% | 0.087 | 26% | 0.263 | C | S | . | . | trans | -90.4 | 160.7 | -171.8 | -63.3 | 176.6 | 0 | 0 | 0 | 111.3 | R819 F820 T823 L830 E875 | R819-I825 PolarHBondContact NH1-O 3.2Å; F820-I825 WeakPolarHBondContact CD1-O 3.49Å; F820-I825 WeakPolarHBondContact CE1-O 3.5Å; T823-I825 PolarHBondContact O-N 3.19Å; T823-I825 PolarHBondContact OG1-N 3.16Å; T823-I825 VanDerWaalsContact OG1-N 3.15Å; I825-L830 HydrophobicContact CB-CD1 4.38Å; I825-L830 HydrophobicContact CG2-CD1 3.96Å; I825-E875 HydrophobicContact CG1-CG 4.44Å | ||
| 826 | A | 64.8 | Low | 65.1 | Low | 12 Ų | 12 | 52.2 Ų | 52.2 | 10% | 0.099 | 27% | 0.271 | C | S | . | . | trans | -99.6 | 157.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I828 S829 | A826-I828 PolarHBondContact O-N 3.26Å; A826-S829 WeakPolarHBondContact O-CB 3.29Å; A826-S829 PolarHBondContact O-N 2.88Å | ||
| 827 | P | 53.4 | Low | 62.4 | Low | 33 Ų | 33 | 58.2 Ų | 58.2 | 21% | 0.214 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -56.6 | -168.4 | -30.3 | 36.6 | 0 | 0 | 0 | 115.3 | E734 S829 L830 | E734-P827 HydrophobicContact CG-CB 4.04Å; E734-P827 HydrophobicContact CG-CG 4.34Å; P827-S829 PolarHBondContact O-N 2.79Å; P827-L830 PolarHBondContact O-N 3.3Å; P827-L830 VanDerWaalsContact O-N 3.1Å |
| 828 | I | 51.5 | Low | 59.7 | Low | 65 Ų | 65 | 62 Ų | 62 | 33% | 0.333 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.2 | -23.3 | -178.2 | -60.4 | -174 | 0 | 0 | 0 | 113.5 | E734 A826 L830 S832 | E734-I828 VanDerWaalsContact C-CD1 3.49Å; E734-I828 HydrophobicContact CB-CD1 4.01Å; E734-I828 HydrophobicContact CB-CG1 3.94Å; E734-I828 WeakPolarHBondContact O-CD1 3.47Å; A826-I828 PolarHBondContact O-N 3.26Å; I828-L830 VanDerWaalsContact C-N 3.3Å; I828-L830 PolarHBondContact O-N 3.02Å; I828-S832 PolarHBondContact O-OG 2.88Å |
| 829 | S | 50.6 | Low | 56.9 | Low | 53 Ų | 53 | 61.5 Ų | 61.5 | 37% | 0.371 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -78 | -10 | -179.2 | -66.7 | 0 | 0 | 0 | 0 | 113.9 | A826 P827 S832 C833 | A826-S829 WeakPolarHBondContact O-CB 3.29Å; A826-S829 PolarHBondContact O-N 2.88Å; P827-S829 PolarHBondContact O-N 2.79Å; S829-S832 WeakPolarHBondContact CA-OG 3.35Å; S829-S832 PolarHBondContact O-OG 3.04Å; S829-C833 PolarHBondContact O-SG 3.37Å |
| 830 | L | 43.4 | Very low | 54.3 | Low | 71 Ų | 71 | 65 Ų | 65 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -77.4 | -48.9 | 172.5 | -118.7 | 73.8 | 0 | 0 | 0 | 111.8 | I825 P827 I828 S832 C833 Q834 | I825-L830 HydrophobicContact CB-CD1 4.38Å; I825-L830 HydrophobicContact CG2-CD1 3.96Å; P827-L830 PolarHBondContact O-N 3.3Å; P827-L830 VanDerWaalsContact O-N 3.1Å; I828-L830 VanDerWaalsContact C-N 3.3Å; I828-L830 PolarHBondContact O-N 3.02Å; L830-S832 VanDerWaalsContact C-N 3.28Å; L830-S832 PolarHBondContact O-N 3.41Å; L830-C833 WeakPolarHBondContact O-CB 3.43Å; L830-C833 PolarHBondContact O-N 3.4Å; L830-Q834 PolarHBondContact O-N 3.33Å |
| 831 | E | 35.8 | Very low | 51.6 | Low | 131 Ų | 131 | 73.2 Ų | 73.2 | 61% | 0.612 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.7 | -35.6 | -177.6 | -61.6 | -170.4 | 143 | 0 | 0 | 112.3 | C833 N835 | E831-C833 PolarHBondContact O-N 3.35Å; E831-N835 VanDerWaalsContact O-CB 3.24Å; E831-N835 WeakPolarHBondContact O-CB 3.44Å; E831-N835 PolarHBondContact O-N 3.04Å; E831-N835 PolarHBondContact O-ND2 2.82Å |
| 832 | S | 42.5 | Very low | 48.9 | Very low | 79 Ų | 79 | 77.1 Ų | 77.1 | 55% | 0.552 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -71.8 | -15.5 | 176 | 42 | 0 | 0 | 0 | 0 | 113.7 | I828 S829 L830 | I828-S832 PolarHBondContact O-OG 2.88Å; S829-S832 WeakPolarHBondContact CA-OG 3.35Å; S829-S832 PolarHBondContact O-OG 3.04Å; L830-S832 VanDerWaalsContact C-N 3.28Å; L830-S832 PolarHBondContact O-N 3.41Å |
| 833 | C | 37.1 | Very low | 46.4 | Very low | 74 Ų | 74 | 83.2 Ų | 83.2 | 50% | 0.5 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -89.4 | -47.9 | 169.8 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | S829 L830 E831 N835 R836 | S829-C833 PolarHBondContact O-SG 3.37Å; L830-C833 WeakPolarHBondContact O-CB 3.43Å; L830-C833 PolarHBondContact O-N 3.4Å; E831-C833 PolarHBondContact O-N 3.35Å; C833-N835 VanDerWaalsContact C-N 3.34Å; C833-N835 PolarHBondContact O-N 3.41Å; C833-R836 VanDerWaalsContact O-CB 3.27Å; C833-R836 WeakPolarHBondContact O-CB 3.4Å; C833-R836 PolarHBondContact O-N 3.02Å; C833-R836 VanDerWaalsContact O-N 3.09Å |
| 834 | Q | 36.8 | Very low | 43.9 | Very low | 132 Ų | 132 | 88.4 Ų | 88.4 | 62% | 0.617 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.4 | -34.6 | -179.5 | -71.7 | -179.4 | -26.9 | 0 | 0 | 112.8 | L830 R836 | L830-Q834 PolarHBondContact O-N 3.33Å; Q834-R836 PolarHBondContact O-N 3.31Å; Q834-R836 VanDerWaalsContact O-N 3.15Å |
| 835 | N | 37.1 | Very low | 41.8 | Very low | 97 Ų | 97 | 95.3 Ų | 95.3 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.8 | -5.2 | 174.9 | -76.9 | -58.6 | 0 | 0 | 0 | 114.3 | E831 C833 T838 A839 | E831-N835 VanDerWaalsContact O-CB 3.24Å; E831-N835 WeakPolarHBondContact O-CB 3.44Å; E831-N835 PolarHBondContact O-N 3.04Å; E831-N835 PolarHBondContact O-ND2 2.82Å; C833-N835 VanDerWaalsContact C-N 3.34Å; C833-N835 PolarHBondContact O-N 3.41Å; N835-T838 WeakPolarHBondContact CA-OG1 3.38Å; N835-T838 PolarHBondContact O-OG1 2.97Å; N835-A839 WeakPolarHBondContact O-CB 3.12Å; N835-A839 PolarHBondContact O-N 2.76Å |
| 836 | R | 37.6 | Very low | 39.5 | Very low | 169 Ų | 169 | 101.9 Ų | 101.9 | 64% | 0.638 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -76 | -43 | 177.6 | -142.8 | 171 | -169.8 | 160.7 | 5.7 | 111.6 | C833 Q834 T838 A839 E840 | C833-R836 VanDerWaalsContact O-CB 3.27Å; C833-R836 WeakPolarHBondContact O-CB 3.4Å; C833-R836 PolarHBondContact O-N 3.02Å; C833-R836 VanDerWaalsContact O-N 3.09Å; Q834-R836 PolarHBondContact O-N 3.31Å; Q834-R836 VanDerWaalsContact O-N 3.15Å; R836-T838 VanDerWaalsContact C-N 3.29Å; R836-T838 PolarHBondContact O-N 3.31Å; R836-A839 PolarHBondContact O-N 2.66Å; R836-E840 PolarHBondContact O-N 3.42Å; R836-E840 VanDerWaalsContact O-N 3.13Å |
| 837 | E | 33.9 | Very low | 37.7 | Very low | 145 Ų | 145 | 113 Ų | 113 | 68% | 0.678 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70 | -23.4 | 176.9 | -62.3 | -170.9 | 162.4 | 0 | 0 | 113.4 | ||
| 838 | T | 35.8 | Very low | 36.5 | Very low | 78 Ų | 78 | 121 Ų | 121 | 48% | 0.479 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -88.1 | -32 | 174.2 | 59.9 | 0 | 0 | 0 | 0 | 112.5 | N835 R836 K841 S842 | N835-T838 WeakPolarHBondContact CA-OG1 3.38Å; N835-T838 PolarHBondContact O-OG1 2.97Å; R836-T838 VanDerWaalsContact C-N 3.29Å; R836-T838 PolarHBondContact O-N 3.31Å; T838-K841 PolarHBondContact O-N 3.16Å; T838-S842 PolarHBondContact O-N 3.26Å; T838-S842 PolarHBondContact O-OG 3.28Å |
| 839 | A | 35 | Very low | 35.5 | Very low | 37 Ų | 37 | 124 Ų | 124 | 31% | 0.306 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.7 | -44.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N835 R836 K841 S842 I843 | N835-A839 WeakPolarHBondContact O-CB 3.12Å; N835-A839 PolarHBondContact O-N 2.76Å; R836-A839 PolarHBondContact O-N 2.66Å; A839-K841 PolarHBondContact O-N 3.48Å; A839-S842 WeakPolarHBondContact CA-OG 3.39Å; A839-S842 PolarHBondContact O-N 3.06Å; A839-S842 PolarHBondContact O-OG 3.03Å; A839-S842 VanDerWaalsContact O-OG 3.04Å; A839-I843 WeakPolarHBondContact O-CG1 2.91Å; A839-I843 PolarHBondContact O-N 2.83Å; A839-I843 VanDerWaalsContact O-N 3.14Å |
| 840 | E | 36.2 | Very low | 34.7 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 64% | 0.64 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.6 | -24.1 | -178.7 | -71 | -176.7 | 172 | 0 | 0 | 113.3 | R836 | R836-E840 PolarHBondContact O-N 3.42Å; R836-E840 VanDerWaalsContact O-N 3.13Å |
| 841 | K | 35.5 | Very low | 34 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 76% | 0.757 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -80.6 | -21.7 | 172 | -72.5 | 171.7 | -177.3 | 162.4 | 0 | 113.7 | T838 A839 | T838-K841 PolarHBondContact O-N 3.16Å; A839-K841 PolarHBondContact O-N 3.48Å |
| 842 | S | 34.5 | Very low | 33.7 | Very low | 82 Ų | 82 | 135 Ų | 135 | 57% | 0.573 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -95.5 | -16.5 | -178.7 | 44.9 | 0 | 0 | 0 | 0 | 114.3 | T838 A839 | T838-S842 PolarHBondContact O-N 3.26Å; T838-S842 PolarHBondContact O-OG 3.28Å; A839-S842 WeakPolarHBondContact CA-OG 3.39Å; A839-S842 PolarHBondContact O-N 3.06Å; A839-S842 PolarHBondContact O-OG 3.03Å; A839-S842 VanDerWaalsContact O-OG 3.04Å |
| 843 | I | 37 | Very low | 33.1 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 70% | 0.697 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -13.6 | -179.5 | -71.5 | 167 | 0 | 0 | 0 | 113.9 | A839 N845 | A839-I843 WeakPolarHBondContact O-CG1 2.91Å; A839-I843 PolarHBondContact O-N 2.83Å; A839-I843 VanDerWaalsContact O-N 3.14Å; I843-N845 VanDerWaalsContact C-N 3.34Å; I843-N845 PolarHBondContact O-N 3.38Å |
| 844 | K | 33.1 | Very low | 32.9 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 58% | 0.583 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -17.8 | 179.9 | -78.6 | 178.7 | 176.4 | 169.2 | 0 | 114.8 | ||
| 845 | N | 30.2 | Very low | 32.5 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 78% | 0.781 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -115.7 | 63.7 | -174.3 | -80.5 | -10.4 | 0 | 0 | 0 | 114.2 | I843 | I843-N845 VanDerWaalsContact C-N 3.34Å; I843-N845 PolarHBondContact O-N 3.38Å |
| 846 | N | 28.5 | Very low | 32 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | trans | -165.8 | 102.1 | 152.1 | -104.3 | -38 | 0 | 0 | 0 | 112.9 | ||||
| 847 | R | 26.9 | Very low | 31.6 | Very low | 246 Ų | 246 | 139.6 Ų | 139.6 | 93% | 0.928 | 73% | 0.732 | S | S | * | * | trans | -143 | 87 | 170.7 | -86.9 | -170.1 | 172.6 | 177.4 | -0.5 | 112 | ||||
| 848 | K | 28.5 | Very low | 31.3 | Very low | 200 Ų | 200 | 136.7 Ų | 136.7 | 87% | 0.87 | 73% | 0.727 | S | S | * | * | trans | 177.6 | 125.1 | 165.5 | -97.9 | 158.5 | -176.3 | -179.8 | 0 | 104.9 | ||||
| 849 | T | 30.6 | Very low | 31.2 | Very low | 130 Ų | 130 | 138 Ų | 138 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | cis | -127.2 | -159.8 | -1.2 | 52 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 850 | T | 32.3 | Very low | 31.2 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | cis | -126.6 | -115.3 | 5.2 | 56.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 851 | K | 28.7 | Very low | 31.2 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -157.2 | 161 | -178.8 | -73.1 | -173.6 | 177.3 | 176.1 | 0 | 112 | ||||
| 852 | H | 30 | Very low | 31.2 | Very low | 185 Ų | 185 | 141.3 Ų | 141.3 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | 73.2 | 140.6 | 161.2 | -57.6 | -58.8 | 0 | 0 | 0 | 119.4 | ||||
| 853 | G | 29.3 | Very low | 31.3 | Very low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | 137.3 | 81.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 854 | A | 33.1 | Very low | 31.2 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | -75.9 | 135.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 855 | K | 28.3 | Very low | 31.2 | Very low | 194 Ų | 194 | 136.7 Ų | 136.7 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | -159.4 | 124.8 | 168.7 | -112.1 | 160.8 | -172.8 | 174.8 | 0 | 113.3 | ||||
| 856 | I | 27.5 | Very low | 31.6 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 75% | 0.749 | 72% | 0.718 | S | S | * | * | trans | 26.3 | 124.9 | 138.1 | -49 | 173.7 | 0 | 0 | 0 | 117.3 | S858 | I856-S858 PolarHBondContact O-N 3.04Š| ||
| 857 | P | 29.1 | Very low | 32.5 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | trans | -63.3 | 127.6 | 173 | 28.3 | -34.5 | 0 | 0 | 0 | 111.4 | ||||
| 858 | S | 28 | Very low | 33.3 | Very low | 83 Ų | 83 | 121.2 Ų | 121.2 | 58% | 0.58 | 68% | 0.679 | S | S | * | * | trans | -89.9 | 148.2 | -176.7 | 72.9 | 0 | 0 | 0 | 0 | 112.5 | I856 K860 | I856-S858 PolarHBondContact O-N 3.04Å; S858-K860 PolarHBondContact O-N 3.36Å | ||
| 859 | P | 33.9 | Very low | 34.3 | Very low | 105 Ų | 105 | 112.3 Ų | 112.3 | 68% | 0.682 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 13.5 | -167.4 | 30.1 | -37 | 0 | 0 | 0 | 116 | L861 | P859-L861 PolarHBondContact O-N 3.23Š|
| 860 | K | 34.7 | Very low | 35.6 | Very low | 148 Ų | 148 | 107.8 Ų | 107.8 | 64% | 0.643 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.4 | -34.2 | -171.6 | -72.1 | -168.8 | 170.2 | -169.5 | 0 | 114.9 | S858 I862 T863 | S858-K860 PolarHBondContact O-N 3.36Å; K860-I862 PolarHBondContact O-N 2.72Å; K860-T863 PolarHBondContact O-N 2.63Å |
| 861 | L | 34.9 | Very low | 37.4 | Very low | 149 Ų | 149 | 104.2 Ų | 104.2 | 78% | 0.78 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.4 | -21.4 | -176.2 | -83.5 | 163.5 | 0 | 0 | 0 | 114.2 | P859 | P859-L861 PolarHBondContact O-N 3.23Å |
| 862 | I | 35.6 | Very low | 39.7 | Very low | 122 Ų | 122 | 96.8 Ų | 96.8 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -81.8 | -38 | 178.2 | -61.2 | 175.4 | 0 | 0 | 0 | 110.5 | K860 A865 V866 | K860-I862 PolarHBondContact O-N 2.72Å; I862-A865 PolarHBondContact O-N 3.35Å; I862-V866 HydrophobicContact CG2-CG2 4.5Å; I862-V866 WeakPolarHBondContact O-CG2 3.08Å; I862-V866 PolarHBondContact O-N 3.22Å; I862-V866 VanDerWaalsContact O-N 3.07Å |
| 863 | T | 36.5 | Very low | 41.9 | Very low | 97 Ų | 97 | 91.1 Ų | 91.1 | 60% | 0.595 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.4 | -41.5 | -175.2 | -35.4 | 0 | 0 | 0 | 0 | 112.5 | K860 A865 V866 S867 | K860-T863 PolarHBondContact O-N 2.63Å; T863-A865 VanDerWaalsContact C-N 3.32Å; T863-A865 PolarHBondContact O-N 3.21Å; T863-V866 PolarHBondContact O-N 3.04Å; T863-S867 PolarHBondContact O-N 2.79Å; T863-S867 VanDerWaalsContact O-N 3.13Å |
| 864 | E | 35.2 | Very low | 44.4 | Very low | 116 Ų | 116 | 91.3 Ų | 91.3 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.6 | -31.5 | 176 | -66.9 | 179.7 | -170.4 | 0 | 0 | 112.6 | S867 N868 | E864-S867 PolarHBondContact O-OG 2.94Å; E864-N868 PolarHBondContact O-ND2 3.49Å |
| 865 | A | 34 | Very low | 46.9 | Very low | 42 Ų | 42 | 87.5 Ų | 87.5 | 35% | 0.347 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.6 | -32.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | I862 T863 S1033 | I862-A865 PolarHBondContact O-N 3.35Å; T863-A865 VanDerWaalsContact C-N 3.32Å; T863-A865 PolarHBondContact O-N 3.21Å; A865-S1033 WeakPolarHBondContact O-CB 3.49Å; A865-S1033 PolarHBondContact O-OG 2.84Å; A865-S1033 VanDerWaalsContact O-OG 3.05Å |
| 866 | V | 38.6 | Very low | 49.8 | Very low | 65 Ų | 65 | 80.1 Ų | 80.1 | 39% | 0.394 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -74.8 | -41.7 | 178.6 | 171.6 | 0 | 0 | 0 | 0 | 112 | I862 T863 N868 S869 | I862-V866 HydrophobicContact CG2-CG2 4.5Å; I862-V866 WeakPolarHBondContact O-CG2 3.08Å; I862-V866 PolarHBondContact O-N 3.22Å; I862-V866 VanDerWaalsContact O-N 3.07Å; T863-V866 PolarHBondContact O-N 3.04Å; V866-N868 PolarHBondContact O-N 3.33Å; V866-S869 VanDerWaalsContact O-CB 3.31Å; V866-S869 WeakPolarHBondContact O-CB 3.48Å; V866-S869 PolarHBondContact O-N 2.84Å; V866-S869 VanDerWaalsContact O-N 3.13Å; V866-S869 PolarHBondContact O-OG 2.88Å |
| 867 | S | 46 | Very low | 52.6 | Low | 66 Ų | 66 | 74.5 Ų | 74.5 | 46% | 0.462 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.3 | -50.3 | -179 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | T863 E864 S869 V870 V871 | T863-S867 PolarHBondContact O-N 2.79Å; T863-S867 VanDerWaalsContact O-N 3.13Å; E864-S867 PolarHBondContact O-OG 2.94Å; S867-S869 PolarHBondContact O-N 3.49Å; S867-V870 PolarHBondContact O-N 3.5Å; S867-V871 WeakPolarHBondContact O-CG2 3.25Å |
| 868 | N | 44.8 | Very low | 55.5 | Low | 90 Ų | 90 | 69.4 Ų | 69.4 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.7 | -16.8 | 178.1 | -73.2 | -38.7 | 0 | 0 | 0 | 114.3 | E864 V866 | E864-N868 PolarHBondContact O-ND2 3.49Å; V866-N868 PolarHBondContact O-N 3.33Å |
| 869 | S | 48.8 | Very low | 58.6 | Low | 13 Ų | 13 | 65.5 Ų | 65.5 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.6 | -36.6 | 177.8 | 78.6 | 0 | 0 | 0 | 0 | 113.1 | V866 S867 D1032 | V866-S869 VanDerWaalsContact O-CB 3.31Å; V866-S869 WeakPolarHBondContact O-CB 3.48Å; V866-S869 PolarHBondContact O-N 2.84Å; V866-S869 VanDerWaalsContact O-N 3.13Å; V866-S869 PolarHBondContact O-OG 2.88Å; S867-S869 PolarHBondContact O-N 3.49Å; S869-D1032 WeakPolarHBondContact O-CB 3.42Å |
| 870 | V | 58.1 | Low | 61.4 | Low | 35 Ų | 35 | 62.4 Ų | 62.4 | 21% | 0.212 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -92.7 | -26.4 | -173.1 | -161.3 | 0 | 0 | 0 | 0 | 111.6 | S867 W872 R873 R874 | S867-V870 PolarHBondContact O-N 3.5Å; V870-W872 PolarHBondContact O-N 3.44Å; V870-R873 PolarHBondContact O-N 2.98Å; V870-R873 VanDerWaalsContact O-N 3.13Å; V870-R874 HydrophobicContact CG1-CG 4.1Å; V870-R874 WeakPolarHBondContact O-CG 3.12Å; V870-R874 PolarHBondContact O-N 3.24Å; V870-R874 VanDerWaalsContact O-N 3.15Å |
| 871 | V | 69.6 | Low | 64 | Low | 53 Ų | 53 | 55.8 Ų | 55.8 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -47.8 | -59.8 | -176.9 | 166.6 | 0 | 0 | 0 | 0 | 112.5 | S867 R873 R874 E875 | S867-V871 WeakPolarHBondContact O-CG2 3.25Å; V871-R873 VanDerWaalsContact C-N 3.25Å; V871-R873 PolarHBondContact O-N 3.49Å; V871-R873 VanDerWaalsContact O-N 3.15Å; V871-R874 WeakPolarHBondContact O-CA 3.21Å; V871-R874 WeakPolarHBondContact O-CB 3.49Å; V871-R874 PolarHBondContact O-N 2.94Å; V871-E875 VanDerWaalsContact CG1-CD 3.47Å; V871-E875 HydrophobicContact CG1-CG 4.42Å; V871-E875 WeakPolarHBondContact CG1-OE1 3.35Å; V871-E875 WeakPolarHBondContact O-CG 3.44Å; V871-E875 PolarHBondContact O-N 3.08Å |
| 872 | W | 77.4 | Confident | 66.8 | Low | 15 Ų | 15 | 48.7 Ų | 48.7 | 6% | 0.057 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -26.7 | -177.2 | 87.3 | -79.3 | 0 | 0 | 0 | 114.2 | V870 E875 R876 I958 D1032 R1040 I1043 | V870-W872 PolarHBondContact O-N 3.44Å; W872-E875 VanDerWaalsContact CA-OE2 3.26Å; W872-E875 WeakPolarHBondContact CA-OE2 3.47Å; W872-R876 WeakPolarHBondContact O-CB 3.15Å; W872-R876 PolarHBondContact O-N 2.92Å; W872-R876 VanDerWaalsContact O-N 3.15Å; W872-I958 HydrophobicContact CE3-CG2 3.81Å; W872-I958 HydrophobicContact CZ3-CG2 4.47Å; W872-D1032 WeakPolarHBondContact CZ2-OD2 3.47Å; W872-D1032 PolarHBondContact NE1-OD2 3.24Å; W872-R1040 HydrophobicContact CD2-CG 4.29Å; W872-R1040 HydrophobicContact CE3-CG 4.45Å; W872-I1043 HydrophobicContact CH2-CG2 4.25Å |
| 873 | R | 77.3 | Confident | 69.6 | Low | 66 Ų | 66 | 42.9 Ų | 42.9 | 25% | 0.249 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74.1 | -31.5 | 174.5 | -57.8 | -167.7 | -167.2 | 161.2 | 11.8 | 112.2 | D758 V870 V871 R877 D1032 | D758-R873 IonicContact OD1-NH1 3.89Å; D758-R873 WeakPolarHBondContact OD2-CD 3.03Å; D758-R873 IonicContact OD2-CZ 3.05Å; D758-R873 IonicContact OD2-NE 2.8Å; D758-R873 IonicContact OD2-NH1 2.69Å; D758-R873 PolarHBondContact OD2-NH1 2.9Å; V870-R873 PolarHBondContact O-N 2.98Å; V870-R873 VanDerWaalsContact O-N 3.13Å; V871-R873 VanDerWaalsContact C-N 3.25Å; V871-R873 PolarHBondContact O-N 3.49Å; V871-R873 VanDerWaalsContact O-N 3.15Å; R873-R877 PolarHBondContact O-N 3.3Å; R873-R877 PolarHBondContact O-NE 2.92Å; R873-D1032 IonicContact CZ-OD1 2.74Å; R873-D1032 IonicContact CZ-OD2 3.98Å; R873-D1032 VanDerWaalsContact NE-CG 3.29Å; R873-D1032 IonicContact NE-OD1 3.37Å; R873-D1032 PolarHBondContact NE-OD1 3.13Å; R873-D1032 IonicContact NE-OD2 3.43Å; R873-D1032 PolarHBondContact NE-OD2 2.84Å; R873-D1032 IonicContact NH2-OD1 2.85Å; R873-D1032 PolarHBondContact NH2-OD1 2.86Å; R873-D1032 IonicContact NH2-OD2 2.94Å |
| 874 | R | 81.7 | Confident | 72.2 | Confident | 82 Ų | 82 | 39.7 Ų | 39.7 | 31% | 0.309 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -78.3 | -45.2 | 178.7 | -69.5 | 176 | 166.2 | 169.6 | -3.5 | 110.8 | S759 E764 V870 V871 R877 R878 | S759-R874 PolarHBondContact O-NH2 3.47Å; E764-R874 WeakPolarHBondContact OE1-CG 3.39Å; V870-R874 HydrophobicContact CG1-CG 4.1Å; V870-R874 WeakPolarHBondContact O-CG 3.12Å; V870-R874 PolarHBondContact O-N 3.24Å; V870-R874 VanDerWaalsContact O-N 3.15Å; V871-R874 WeakPolarHBondContact O-CA 3.21Å; V871-R874 WeakPolarHBondContact O-CB 3.49Å; V871-R874 PolarHBondContact O-N 2.94Å; R874-R877 WeakPolarHBondContact O-CA 3.2Å; R874-R877 WeakPolarHBondContact O-CB 3.49Å; R874-R877 PolarHBondContact O-N 2.9Å; R874-R878 WeakPolarHBondContact O-CG 3.46Å; R874-R878 PolarHBondContact O-N 3.29Å |
| 875 | E | 85.1 | Confident | 74.8 | Confident | 24 Ų | 24 | 34.2 Ų | 34.2 | 11% | 0.112 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -52.9 | -56.3 | 171.1 | -70.2 | 161.7 | 170.4 | 0 | 0 | 110.8 | G824 I825 V871 W872 R877 R878 S879 | G824-E875 WeakPolarHBondContact O-CA 3.21Å; G824-E875 WeakPolarHBondContact O-CG 3.31Å; I825-E875 HydrophobicContact CG1-CG 4.44Å; V871-E875 VanDerWaalsContact CG1-CD 3.47Å; V871-E875 HydrophobicContact CG1-CG 4.42Å; V871-E875 WeakPolarHBondContact CG1-OE1 3.35Å; V871-E875 WeakPolarHBondContact O-CG 3.44Å; V871-E875 PolarHBondContact O-N 3.08Å; W872-E875 VanDerWaalsContact CA-OE2 3.26Å; W872-E875 WeakPolarHBondContact CA-OE2 3.47Å; E875-R877 PolarHBondContact O-N 2.84Å; E875-R877 VanDerWaalsContact O-N 3.1Å; E875-R878 PolarHBondContact O-N 3.3Å; E875-S879 PolarHBondContact O-N 3.3Å; E875-S879 PolarHBondContact O-OG 3.42Å; E875-S879 VanDerWaalsContact O-OG 3.12Å |
| 876 | R | 88.1 | Confident | 77.5 | Confident | 39 Ų | 39 | 32.2 Ų | 32.2 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -49.1 | -40.2 | 172.5 | -172.7 | -171.3 | -168.5 | 88.9 | 30 | 113.3 | W872 K880 T962 S1044 | W872-R876 WeakPolarHBondContact O-CB 3.15Å; W872-R876 PolarHBondContact O-N 2.92Å; W872-R876 VanDerWaalsContact O-N 3.15Å; R876-K880 VanDerWaalsContact O-CB 3.22Å; R876-K880 WeakPolarHBondContact O-CB 3.46Å; R876-K880 PolarHBondContact O-N 3.39Å; R876-T962 HydrophobicContact CB-CG2 4.49Å; R876-T962 HydrophobicContact CG-CG2 3.62Å; R876-T962 WeakPolarHBondContact O-CG2 3.39Å; R876-S1044 PolarHBondContact NH1-OG 2.86Å |
| 877 | R | 87.3 | Confident | 79.9 | Confident | 28 Ų | 28 | 31.8 Ų | 31.8 | 11% | 0.106 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.6 | -42.6 | 178.8 | -102.3 | 173 | -73.8 | 167 | -16.1 | 111.9 | D758 E764 R873 R874 E875 L881 | D758-R877 PolarHBondContact O-NH1 3.2Å; D758-R877 VanDerWaalsContact O-NH1 3.16Å; D758-R877 IonicContact OD1-CZ 2.86Å; D758-R877 IonicContact OD1-NH1 2.98Å; D758-R877 IonicContact OD1-NH2 3.33Å; D758-R877 PolarHBondContact OD1-NH2 2.96Å; D758-R877 IonicContact OD2-CZ 3.72Å; D758-R877 IonicContact OD2-NH2 3.45Å; D758-R877 PolarHBondContact OD2-NH2 2.88Å; E764-R877 HydrophobicContact CG-CB 4.16Å; E764-R877 VanDerWaalsContact OE2-CD 3.23Å; E764-R877 WeakPolarHBondContact OE2-CD 3.28Å; E764-R877 IonicContact OE2-CZ 2.69Å; E764-R877 VanDerWaalsContact OE2-CZ 3.28Å; E764-R877 IonicContact OE2-NE 2.71Å; E764-R877 PolarHBondContact OE2-NE 3.38Å; E764-R877 IonicContact OE2-NH1 3.78Å; E764-R877 PolarHBondContact OE2-NH1 3.46Å; R873-R877 PolarHBondContact O-N 3.3Å; R873-R877 PolarHBondContact O-NE 2.92Å; R874-R877 WeakPolarHBondContact O-CA 3.2Å; R874-R877 WeakPolarHBondContact O-CB 3.49Å; R874-R877 PolarHBondContact O-N 2.9Å; E875-R877 PolarHBondContact O-N 2.84Å; E875-R877 VanDerWaalsContact O-N 3.1Å; R877-L881 WeakPolarHBondContact O-CB 3.45Å; R877-L881 WeakPolarHBondContact O-CD1 2.83Å; R877-L881 WeakPolarHBondContact O-CG 3.36Å; R877-L881 PolarHBondContact O-N 2.81Å |
| 878 | R | 90.4 | Very high | 81.8 | Confident | 20 Ų | 20 | 29.2 Ų | 29.2 | 8% | 0.075 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.9 | -53 | 175.7 | -67.1 | -173.7 | -66.3 | -142 | -3.9 | 110.3 | E764 L767 F820 G824 R874 E875 K880 L881 S882 | E764-R878 HydrophobicContact CG-CG 3.99Å; L767-R878 HydrophobicContact CD1-CB 4.07Å; L767-R878 HydrophobicContact CD1-CG 4.08Å; F820-R878 HydrophobicContact CB-CB 4.35Å; F820-R878 HydrophobicContact CD1-CB 4.08Å; F820-R878 HydrophobicContact CG-CB 4.24Å; G824-R878 PolarHBondContact O-NE 3.22Å; G824-R878 PolarHBondContact O-NH2 3.15Å; R874-R878 WeakPolarHBondContact O-CG 3.46Å; R874-R878 PolarHBondContact O-N 3.29Å; E875-R878 PolarHBondContact O-N 3.3Å; R878-K880 PolarHBondContact O-N 3.44Å; R878-L881 PolarHBondContact O-N 3.32Å; R878-S882 PolarHBondContact O-N 3.24Å; R878-S882 PolarHBondContact O-OG 3.21Å |
| 879 | S | 92.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.2 | -46.9 | 177.3 | -44.1 | 0 | 0 | 0 | 0 | 113.1 | F820 E875 L881 S882 I883 S959 | F820-S879 WeakPolarHBondContact O-CA 3.29Å; F820-S879 VanDerWaalsContact O-CB 3.28Å; F820-S879 WeakPolarHBondContact O-CB 3.17Å; F820-S879 PolarHBondContact O-N 3.06Å; F820-S879 PolarHBondContact O-OG 2.9Å; E875-S879 PolarHBondContact O-N 3.3Å; E875-S879 PolarHBondContact O-OG 3.42Å; E875-S879 VanDerWaalsContact O-OG 3.12Å; S879-L881 VanDerWaalsContact C-N 3.31Å; S879-L881 PolarHBondContact O-N 3.43Å; S879-S882 PolarHBondContact O-N 3.22Å; S879-I883 PolarHBondContact O-N 2.99Å; S879-I883 VanDerWaalsContact O-N 3.17Å; S879-S959 WeakPolarHBondContact OG-CB 3.32Å |
| 880 | K | 92.6 | Very high | 85.5 | Confident | 41 Ų | 41 | 25.2 Ų | 25.2 | 18% | 0.178 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -54.9 | -45.4 | 173.7 | 164.1 | 179 | 176.3 | -133.6 | 0 | 112.2 | S779 R876 R878 R884 T962 H966 | S779-K880 PolarHBondContact O-NZ 3.31Å; R876-K880 VanDerWaalsContact O-CB 3.22Å; R876-K880 WeakPolarHBondContact O-CB 3.46Å; R876-K880 PolarHBondContact O-N 3.39Å; R878-K880 PolarHBondContact O-N 3.44Å; K880-R884 VanDerWaalsContact O-CD 3.24Å; K880-R884 WeakPolarHBondContact O-CD 3.32Å; K880-R884 VanDerWaalsContact O-CG 3.24Å; K880-R884 WeakPolarHBondContact O-CG 3.45Å; K880-R884 PolarHBondContact O-N 2.8Å; K880-T962 HydrophobicContact CB-CG2 4.35Å; K880-H966 WeakPolarHBondContact CG-NE2 3.29Å |
| 881 | L | 90.8 | Very high | 86.6 | Confident | 8 Ų | 8 | 24.6 Ų | 24.6 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -74.3 | -38 | -175.7 | -70.6 | 167.7 | 0 | 0 | 0 | 111.2 | L767 S768 R877 R878 S879 R884 I885 | L767-L881 HydrophobicContact CB-CB 3.8Å; L767-L881 HydrophobicContact CB-CD1 3.95Å; L767-L881 HydrophobicContact CB-CG 4.46Å; L767-L881 HydrophobicContact CD1-CB 4.17Å; S768-L881 WeakPolarHBondContact OG-CD1 3.22Å; R877-L881 WeakPolarHBondContact O-CB 3.45Å; R877-L881 WeakPolarHBondContact O-CD1 2.83Å; R877-L881 WeakPolarHBondContact O-CG 3.36Å; R877-L881 PolarHBondContact O-N 2.81Å; R878-L881 PolarHBondContact O-N 3.32Å; S879-L881 VanDerWaalsContact C-N 3.31Å; S879-L881 PolarHBondContact O-N 3.43Å; L881-R884 WeakPolarHBondContact O-CB 3.42Å; L881-R884 PolarHBondContact O-N 2.78Å; L881-R884 VanDerWaalsContact O-N 3.17Å; L881-I885 WeakPolarHBondContact O-CD1 3.28Å; L881-I885 WeakPolarHBondContact O-CG1 3.35Å; L881-I885 PolarHBondContact O-N 3.06Å |
| 882 | S | 93.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.2 | -47.5 | 178.2 | -63.6 | 0 | 0 | 0 | 0 | 113 | F820 C821 R878 S879 R884 I885 L886 | F820-S882 VanDerWaalsContact CB-OG 3.28Å; F820-S882 WeakPolarHBondContact CB-OG 3.32Å; C821-S882 WeakPolarHBondContact SG-CB 3.36Å; R878-S882 PolarHBondContact O-N 3.24Å; R878-S882 PolarHBondContact O-OG 3.21Å; S879-S882 PolarHBondContact O-N 3.22Å; S882-R884 PolarHBondContact O-N 3.48Å; S882-I885 WeakPolarHBondContact O-CB 3.49Å; S882-I885 PolarHBondContact O-N 3.22Å; S882-I885 VanDerWaalsContact O-N 3.08Å; S882-L886 PolarHBondContact O-N 2.91Å |
| 883 | I | 93.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.1 | -34.3 | 173.6 | -64.2 | -61.7 | 0 | 0 | 0 | 112 | C821 S879 L886 F887 I943 H966 I967 L970 | C821-I883 HydrophobicContact CB-CD1 4.04Å; C821-I883 WeakPolarHBondContact SG-CD1 3.42Å; S879-I883 PolarHBondContact O-N 2.99Å; S879-I883 VanDerWaalsContact O-N 3.17Å; I883-L886 HydrophobicContact CD1-CD1 4.33Å; I883-F887 WeakPolarHBondContact O-CB 3.41Å; I883-F887 PolarHBondContact O-N 2.93Å; I883-I943 HydrophobicContact CD1-CD1 4.33Å; I883-I943 HydrophobicContact CD1-CG2 4.14Å; I883-H966 HydrophobicContact CB-CB 3.98Å; I883-H966 HydrophobicContact CG1-CB 4.42Å; I883-H966 HydrophobicContact CG2-CB 3.72Å; I883-I967 HydrophobicContact CD1-CD1 3.84Å; I883-I967 HydrophobicContact CD1-CG1 3.76Å; I883-I967 HydrophobicContact CG1-CG1 4.32Å; I883-I967 HydrophobicContact CG2-CG1 3.86Å; I883-L970 HydrophobicContact CG2-CD1 4.36Å |
| 884 | R | 90.5 | Very high | 87.3 | Confident | 31 Ų | 31 | 24.8 Ų | 24.8 | 12% | 0.117 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -70.9 | -36.4 | 176.2 | -74.2 | 167.5 | 153.8 | -131.7 | -17.9 | 112.8 | S779 K880 L881 S882 F887 C888 L970 | S779-R884 PolarHBondContact O-NH1 2.86Å; S779-R884 VanDerWaalsContact OG-CZ 3.24Å; S779-R884 PolarHBondContact OG-NH1 3.18Å; S779-R884 PolarHBondContact OG-NH2 2.92Å; K880-R884 VanDerWaalsContact O-CD 3.24Å; K880-R884 WeakPolarHBondContact O-CD 3.32Å; K880-R884 VanDerWaalsContact O-CG 3.24Å; K880-R884 WeakPolarHBondContact O-CG 3.45Å; K880-R884 PolarHBondContact O-N 2.8Å; L881-R884 WeakPolarHBondContact O-CB 3.42Å; L881-R884 PolarHBondContact O-N 2.78Å; L881-R884 VanDerWaalsContact O-N 3.17Å; S882-R884 PolarHBondContact O-N 3.48Å; R884-F887 PolarHBondContact O-N 2.89Å; R884-C888 PolarHBondContact O-N 3.4Å; R884-C888 PolarHBondContact O-SG 3.36Å; R884-L970 HydrophobicContact CG-CD1 3.92Å |
| 885 | I | 89.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.9 | -48.6 | 173.2 | -69.7 | 155.4 | 0 | 0 | 0 | 109.2 | L767 L770 C771 L774 L817 L881 S882 F887 C888 L889 | L767-I885 HydrophobicContact CB-CD1 3.96Å; L767-I885 HydrophobicContact CD2-CD1 3.54Å; L767-I885 HydrophobicContact CG-CD1 4.34Å; L770-I885 HydrophobicContact CB-CD1 4.27Å; L770-I885 HydrophobicContact CD2-CD1 3.89Å; L770-I885 HydrophobicContact CD2-CG1 4.35Å; L770-I885 HydrophobicContact CD2-CG2 4.01Å; L770-I885 HydrophobicContact CG-CD1 4.08Å; L770-I885 HydrophobicContact CG-CG1 4.14Å; L770-I885 HydrophobicContact CG-CG2 4.12Å; C771-I885 HydrophobicContact CB-CG1 4.24Å; L774-I885 HydrophobicContact CD1-CG2 3.84Å; L817-I885 HydrophobicContact CD1-CB 4.28Å; L817-I885 HydrophobicContact CD1-CG2 3.57Å; L817-I885 HydrophobicContact CD2-CB 4.17Å; L817-I885 HydrophobicContact CD2-CD1 3.91Å; L817-I885 HydrophobicContact CD2-CG2 4.04Å; L817-I885 HydrophobicContact CG-CG2 4.49Å; L881-I885 WeakPolarHBondContact O-CD1 3.28Å; L881-I885 WeakPolarHBondContact O-CG1 3.35Å; L881-I885 PolarHBondContact O-N 3.06Å; S882-I885 WeakPolarHBondContact O-CB 3.49Å; S882-I885 PolarHBondContact O-N 3.22Å; S882-I885 VanDerWaalsContact O-N 3.08Å; I885-F887 VanDerWaalsContact C-N 3.35Å; I885-F887 PolarHBondContact O-N 3.45Å; I885-C888 WeakPolarHBondContact O-CA 3.38Å; I885-C888 WeakPolarHBondContact O-CB 3.34Å; I885-C888 PolarHBondContact O-N 2.78Å; I885-L889 HydrophobicContact CG2-CD1 4.08Å; I885-L889 HydrophobicContact CG2-CG 4.37Å; I885-L889 WeakPolarHBondContact O-CG 3.45Å; I885-L889 PolarHBondContact O-N 3.06Å |
| 886 | L | 91 | Very high | 86.4 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55 | -47.1 | 174.4 | -66.7 | 171.5 | 0 | 0 | 0 | 111.8 | L814 L817 S882 I883 C888 L889 C890 I936 L940 I943 | L814-L886 HydrophobicContact CD2-CD2 3.61Å; L817-L886 HydrophobicContact CB-CD2 4.34Å; L817-L886 HydrophobicContact CB-CG 4.44Å; L817-L886 HydrophobicContact CD1-CD2 3.78Å; L817-L886 HydrophobicContact CD1-CG 4.11Å; S882-L886 PolarHBondContact O-N 2.91Å; I883-L886 HydrophobicContact CD1-CD1 4.33Å; L886-C888 VanDerWaalsContact C-N 3.34Å; L886-C888 PolarHBondContact O-N 2.87Å; L886-L889 WeakPolarHBondContact O-CB 3.32Å; L886-L889 PolarHBondContact O-N 3.27Å; L886-C890 PolarHBondContact O-N 2.97Å; L886-C890 PolarHBondContact O-SG 2.96Å; L886-I936 HydrophobicContact CD2-CG2 4.42Å; L886-L940 HydrophobicContact CB-CD2 4.18Å; L886-L940 HydrophobicContact CD1-CD2 3.89Å; L886-L940 HydrophobicContact CD1-CG 4.5Å; L886-I943 HydrophobicContact CD1-CD1 3.61Å |
| 887 | F | 89.4 | Confident | 85.9 | Confident | 57 Ų | 57 | 23.4 Ų | 23.4 | 25% | 0.25 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.7 | -39.5 | 173.9 | 176.8 | -105.2 | 0 | 0 | 0 | 113.7 | I883 R884 I885 N891 L970 F971 | I883-F887 WeakPolarHBondContact O-CB 3.41Å; I883-F887 PolarHBondContact O-N 2.93Å; R884-F887 PolarHBondContact O-N 2.89Å; I885-F887 VanDerWaalsContact C-N 3.35Å; I885-F887 PolarHBondContact O-N 3.45Å; F887-N891 WeakPolarHBondContact CD1-ND2 3.47Å; F887-N891 WeakPolarHBondContact CE1-ND2 3.5Å; F887-N891 WeakPolarHBondContact CZ-ND2 3.35Å; F887-N891 PolarHBondContact O-N 3.22Å; F887-N891 VanDerWaalsContact O-N 3.12Å; F887-N891 PolarHBondContact O-ND2 2.94Å; F887-N891 VanDerWaalsContact O-ND2 3.09Å; F887-L970 HydrophobicContact CB-CB 4.4Å; F887-L970 HydrophobicContact CB-CD1 3.98Å; F887-L970 HydrophobicContact CD1-CD1 4.28Å; F887-L970 HydrophobicContact CD1-CD2 4.11Å; F887-L970 HydrophobicContact CD2-CB 3.77Å; F887-L970 HydrophobicContact CE1-CD2 4.06Å; F887-L970 HydrophobicContact CE2-CB 4.12Å; F887-L970 WeakPolarHBondContact CE2-O 3.41Å; F887-L970 HydrophobicContact CG-CB 4Å; F887-L970 HydrophobicContact CG-CD1 4.08Å; F887-L970 HydrophobicContact CG-CD2 4.39Å; F887-L970 HydrophobicContact CG-CG 4.38Å; F887-L970 HydrophobicContact CZ-CD2 4.32Å; F887-F971 HydrophobicContact CB-CE2 3.98Å; F887-F971 HydrophobicContact CB-CZ 3.83Å; F887-F971 HydrophobicContact CD2-CD1 4.42Å; F887-F971 AromaticContact CD2-CE1 3.98Å; F887-F971 HydrophobicContact CD2-CE1 3.98Å; F887-F971 HydrophobicContact CD2-CE2 4.2Å; F887-F971 AromaticContact CD2-CZ 3.88Å; F887-F971 HydrophobicContact CD2-CZ 3.88Å; F887-F971 HydrophobicContact CG-CZ 4.37Å |
| 888 | C | 85.1 | Confident | 85.2 | Confident | 11 Ų | 11 | 26.7 Ų | 26.7 | 7% | 0.074 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.2 | -43.6 | 174.7 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | L774 G776 R884 I885 L886 N891 V892 | L774-C888 HydrophobicContact CB-CB 3.77Å; G776-C888 VanDerWaalsContact CA-SG 3.51Å; R884-C888 PolarHBondContact O-N 3.4Å; R884-C888 PolarHBondContact O-SG 3.36Å; I885-C888 WeakPolarHBondContact O-CA 3.38Å; I885-C888 WeakPolarHBondContact O-CB 3.34Å; I885-C888 PolarHBondContact O-N 2.78Å; L886-C888 VanDerWaalsContact C-N 3.34Å; L886-C888 PolarHBondContact O-N 2.87Å; C888-N891 PolarHBondContact O-N 3.22Å; C888-V892 VanDerWaalsContact O-CB 3.28Å; C888-V892 WeakPolarHBondContact O-CB 3.4Å; C888-V892 WeakPolarHBondContact O-CG2 3.31Å; C888-V892 PolarHBondContact O-N 3Å |
| 889 | L | 85.2 | Confident | 84 | Confident | 7 Ų | 7 | 28.8 Ų | 28.8 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.3 | -47.2 | 174.9 | -65.2 | 172.1 | 0 | 0 | 0 | 111.7 | L774 L806 L813 L814 L817 I885 L886 N891 V892 V893 I936 | L774-L889 HydrophobicContact CD1-CD2 3.77Å; L774-L889 HydrophobicContact CD1-CG 4.08Å; L774-L889 HydrophobicContact CD2-CD2 4.03Å; L806-L889 HydrophobicContact CD1-CD2 3.74Å; L806-L889 HydrophobicContact CD2-CD2 3.46Å; L806-L889 VanDerWaalsContact CD2-CD2 3.46Å; L806-L889 HydrophobicContact CG-CD2 4.19Å; L813-L889 HydrophobicContact CD2-CD1 4.28Å; L814-L889 HydrophobicContact CD2-CD1 4.27Å; L817-L889 HydrophobicContact CD1-CD1 4.24Å; I885-L889 HydrophobicContact CG2-CD1 4.08Å; I885-L889 HydrophobicContact CG2-CG 4.37Å; I885-L889 WeakPolarHBondContact O-CG 3.45Å; I885-L889 PolarHBondContact O-N 3.06Å; L886-L889 WeakPolarHBondContact O-CB 3.32Å; L886-L889 PolarHBondContact O-N 3.27Å; L889-N891 VanDerWaalsContact C-N 3.28Å; L889-N891 PolarHBondContact O-N 3.4Å; L889-V892 WeakPolarHBondContact O-CB 3.37Å; L889-V892 PolarHBondContact O-N 2.85Å; L889-V893 WeakPolarHBondContact O-CG2 3.42Å; L889-V893 PolarHBondContact O-N 3.39Å; L889-I936 HydrophobicContact CB-CD1 3.87Å |
| 890 | C | 85.8 | Confident | 82.4 | Confident | 12 Ų | 12 | 31 Ų | 31 | 8% | 0.081 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -54.8 | -43.3 | 174.2 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | L886 R894 I936 F971 | L886-C890 PolarHBondContact O-N 2.97Å; L886-C890 PolarHBondContact O-SG 2.96Å; C890-R894 WeakPolarHBondContact O-CB 3.5Å; C890-R894 PolarHBondContact O-N 3Å; C890-I936 WeakPolarHBondContact SG-CG2 3.23Å; C890-F971 HydrophobicContact CB-CE1 4.24Å |
| 891 | N | 81.8 | Confident | 80.5 | Confident | 23 Ų | 23 | 31.8 Ų | 31.8 | 12% | 0.123 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.7 | -39.9 | -178.8 | -65.7 | -26.8 | 0 | 0 | 0 | 112.3 | L791 F887 C888 L889 R894 H895 | L791-N891 HydrophobicContact CD1-CB 4.02Å; F887-N891 WeakPolarHBondContact CD1-ND2 3.47Å; F887-N891 WeakPolarHBondContact CE1-ND2 3.5Å; F887-N891 WeakPolarHBondContact CZ-ND2 3.35Å; F887-N891 PolarHBondContact O-N 3.22Å; F887-N891 VanDerWaalsContact O-N 3.12Å; F887-N891 PolarHBondContact O-ND2 2.94Å; F887-N891 VanDerWaalsContact O-ND2 3.09Å; C888-N891 PolarHBondContact O-N 3.22Å; L889-N891 VanDerWaalsContact C-N 3.28Å; L889-N891 PolarHBondContact O-N 3.4Å; N891-R894 PolarHBondContact O-N 3.09Å; N891-R894 PolarHBondContact OD1-NH1 3.11Å; N891-R894 PolarHBondContact OD1-NH2 3.35Å; N891-R894 VanDerWaalsContact OD1-NH2 3.12Å; N891-H895 VanDerWaalsContact O-CB 3.31Å; N891-H895 WeakPolarHBondContact O-CB 3.35Å; N891-H895 PolarHBondContact O-N 3.3Å |
| 892 | V | 77.1 | Confident | 78.3 | Confident | 22 Ų | 22 | 36.5 Ų | 36.5 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56 | -52.6 | 172.9 | 145.6 | 0 | 0 | 0 | 0 | 110.9 | Y803 L806 C888 L889 L896 | Y803-V892 HydrophobicContact CD1-CG1 3.56Å; Y803-V892 HydrophobicContact CE1-CB 4.3Å; Y803-V892 HydrophobicContact CE1-CG1 3.51Å; Y803-V892 HydrophobicContact CE1-CG2 4.41Å; L806-V892 HydrophobicContact CD1-CG1 3.76Å; C888-V892 VanDerWaalsContact O-CB 3.28Å; C888-V892 WeakPolarHBondContact O-CB 3.4Å; C888-V892 WeakPolarHBondContact O-CG2 3.31Å; C888-V892 PolarHBondContact O-N 3Å; L889-V892 WeakPolarHBondContact O-CB 3.37Å; L889-V892 PolarHBondContact O-N 2.85Å; V892-L896 PolarHBondContact O-N 2.88Å |
| 893 | V | 81.8 | Confident | 75.9 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.4 | -39.8 | -179.5 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | L889 L896 L897 L929 L932 K933 I936 | L889-V893 WeakPolarHBondContact O-CG2 3.42Å; L889-V893 PolarHBondContact O-N 3.39Å; V893-L896 VanDerWaalsContact O-CB 3.3Å; V893-L896 WeakPolarHBondContact O-CB 3.36Å; V893-L896 PolarHBondContact O-N 2.95Å; V893-L897 HydrophobicContact CG1-CD1 4.14Å; V893-L897 WeakPolarHBondContact O-CG 3.29Å; V893-L897 PolarHBondContact O-N 2.94Å; V893-L929 WeakPolarHBondContact CG1-O 3.26Å; V893-L932 HydrophobicContact CG2-CD2 3.75Å; V893-L932 HydrophobicContact CG2-CG 4.13Å; V893-K933 HydrophobicContact CG1-CB 3.91Å; V893-I936 HydrophobicContact CG2-CD1 4.38Å |
| 894 | R | 81.5 | Confident | 73.6 | Confident | 113 Ų | 113 | 49.1 Ų | 49.1 | 43% | 0.426 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 177.9 | -163.7 | -168.6 | -44.4 | 99.9 | 3.2 | 112.6 | C890 N891 L896 L897 N898 | C890-R894 WeakPolarHBondContact O-CB 3.5Å; C890-R894 PolarHBondContact O-N 3Å; N891-R894 PolarHBondContact O-N 3.09Å; N891-R894 PolarHBondContact OD1-NH1 3.11Å; N891-R894 PolarHBondContact OD1-NH2 3.35Å; N891-R894 VanDerWaalsContact OD1-NH2 3.12Å; R894-L896 PolarHBondContact O-N 3.24Å; R894-L897 PolarHBondContact O-N 2.74Å; R894-N898 PolarHBondContact O-N 2.9Å; R894-N898 PolarHBondContact O-OD1 2.72Å; R894-N898 VanDerWaalsContact O-OD1 3.12Å |
| 895 | H | 73.3 | Confident | 70.9 | Confident | 67 Ų | 67 | 52.4 Ų | 52.4 | 31% | 0.31 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 175.5 | -175.8 | -59.8 | 0 | 0 | 0 | 110.4 | N891 S899 | N891-H895 VanDerWaalsContact O-CB 3.31Å; N891-H895 WeakPolarHBondContact O-CB 3.35Å; N891-H895 PolarHBondContact O-N 3.3Å; H895-S899 PolarHBondContact CE1-OG 3.32Å; H895-S899 VanDerWaalsContact CE1-OG 3.29Å; H895-S899 PolarHBondContact ND1-OG 3.4Å; H895-S899 WeakPolarHBondContact O-CB 3.29Å; H895-S899 PolarHBondContact O-N 3.17Å; H895-S899 PolarHBondContact O-OG 3.42Å |
| 896 | L | 72.8 | Confident | 68.2 | Low | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.6 | -53.4 | 179.8 | -116.7 | -177.2 | 0 | 0 | 0 | 113.7 | L800 Y803 V892 V893 R894 N898 S899 K900 L929 | L800-L896 HydrophobicContact CD1-CD2 4.34Å; Y803-L896 VanDerWaalsContact CB-CD1 3.47Å; Y803-L896 HydrophobicContact CD1-CD1 3.74Å; Y803-L896 HydrophobicContact CD1-CG 4.3Å; Y803-L896 HydrophobicContact CD2-CD1 3.16Å; Y803-L896 HydrophobicContact CD2-CD2 3.63Å; Y803-L896 HydrophobicContact CD2-CG 3.38Å; Y803-L896 HydrophobicContact CE1-CD1 4.16Å; Y803-L896 HydrophobicContact CE1-CG 4.23Å; Y803-L896 HydrophobicContact CE2-CD1 3.65Å; Y803-L896 HydrophobicContact CE2-CD2 3.59Å; Y803-L896 HydrophobicContact CE2-CG 3.3Å; Y803-L896 HydrophobicContact CG-CD1 3.19Å; Y803-L896 HydrophobicContact CG-CG 3.89Å; V892-L896 PolarHBondContact O-N 2.88Å; V893-L896 VanDerWaalsContact O-CB 3.3Å; V893-L896 WeakPolarHBondContact O-CB 3.36Å; V893-L896 PolarHBondContact O-N 2.95Å; R894-L896 PolarHBondContact O-N 3.24Å; L896-N898 VanDerWaalsContact C-N 3.28Å; L896-N898 PolarHBondContact O-N 2.84Å; L896-S899 WeakPolarHBondContact O-CB 3.45Å; L896-S899 PolarHBondContact O-N 3.18Å; L896-K900 PolarHBondContact O-N 3.37Å; L896-L929 HydrophobicContact CB-CD1 4.45Å; L896-L929 HydrophobicContact CD1-CD1 3.64Å; L896-L929 HydrophobicContact CD1-CD2 3.48Å; L896-L929 VanDerWaalsContact CD1-CD2 3.48Å; L896-L929 HydrophobicContact CD1-CG 4.2Å; L896-L929 HydrophobicContact CD2-CD1 4.41Å; L896-L929 HydrophobicContact CG-CD1 4.41Å |
| 897 | L | 77.6 | Confident | 65.2 | Low | 38 Ų | 38 | 66.4 Ų | 66.4 | 20% | 0.199 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.8 | -44.8 | -177.8 | -67.7 | 166.7 | 0 | 0 | 0 | 110.1 | V893 R894 S899 K900 S901 L926 L929 K933 | V893-L897 HydrophobicContact CG1-CD1 4.14Å; V893-L897 WeakPolarHBondContact O-CG 3.29Å; V893-L897 PolarHBondContact O-N 2.94Å; R894-L897 PolarHBondContact O-N 2.74Å; L897-S899 VanDerWaalsContact C-N 3.27Å; L897-S899 PolarHBondContact O-N 3.49Å; L897-K900 PolarHBondContact O-N 2.92Å; L897-S901 PolarHBondContact O-N 2.69Å; L897-L926 HydrophobicContact CD2-CD2 4.17Å; L897-L929 HydrophobicContact CD2-CB 3.96Å; L897-K933 HydrophobicContact CD1-CD 3.86Å |
| 898 | N | 73.7 | Confident | 62.4 | Low | 97 Ų | 97 | 70.2 Ų | 70.2 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.7 | -20.2 | 175.2 | -64.8 | 30.4 | 0 | 0 | 0 | 113.9 | R894 L896 S901 N902 | R894-N898 PolarHBondContact O-N 2.9Å; R894-N898 PolarHBondContact O-OD1 2.72Å; R894-N898 VanDerWaalsContact O-OD1 3.12Å; L896-N898 VanDerWaalsContact C-N 3.28Å; L896-N898 PolarHBondContact O-N 2.84Å; N898-S901 PolarHBondContact O-OG 2.81Å; N898-N902 PolarHBondContact O-OD1 2.72Å |
| 899 | S | 65.1 | Low | 59.8 | Low | 65 Ų | 65 | 76.4 Ų | 76.4 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -79.7 | -29.6 | 178.5 | -59 | 0 | 0 | 0 | 0 | 112.3 | H895 L896 L897 | H895-S899 PolarHBondContact CE1-OG 3.32Å; H895-S899 VanDerWaalsContact CE1-OG 3.29Å; H895-S899 PolarHBondContact ND1-OG 3.4Å; H895-S899 WeakPolarHBondContact O-CB 3.29Å; H895-S899 PolarHBondContact O-N 3.17Å; H895-S899 PolarHBondContact O-OG 3.42Å; L896-S899 WeakPolarHBondContact O-CB 3.45Å; L896-S899 PolarHBondContact O-N 3.18Å; L897-S899 VanDerWaalsContact C-N 3.27Å; L897-S899 PolarHBondContact O-N 3.49Å |
| 900 | K | 58.9 | Low | 57.3 | Low | 46 Ų | 46 | 83.1 Ų | 83.1 | 20% | 0.2 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -87.3 | -23.5 | 178.6 | -74.1 | -166.5 | 172.6 | -166.3 | 0 | 113.5 | L896 L897 S903 E925 L926 | L896-K900 PolarHBondContact O-N 3.37Å; L897-K900 PolarHBondContact O-N 2.92Å; K900-S903 PolarHBondContact O-OG 2.79Å; K900-E925 IonicContact NZ-OE2 2.66Å; K900-E925 PolarHBondContact NZ-OE2 2.71Å; K900-L926 HydrophobicContact CB-CD2 4.29Å; K900-L926 HydrophobicContact CD-CD2 3.85Å; K900-L926 HydrophobicContact CD-CG 4.3Å |
| 901 | S | 51.2 | Low | 54.6 | Low | 57 Ų | 57 | 89.3 Ų | 89.3 | 40% | 0.399 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.9 | -25.2 | 176.9 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | L897 N898 | L897-S901 PolarHBondContact O-N 2.69Å; N898-S901 PolarHBondContact O-OG 2.81Å |
| 902 | N | 44.6 | Very low | 52.4 | Low | 108 Ų | 108 | 97.6 Ų | 97.6 | 58% | 0.578 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 1.7 | -168.9 | -70.2 | 24.6 | 0 | 0 | 0 | 113.9 | N898 | N898-N902 PolarHBondContact O-OD1 2.72Š|
| 903 | S | 45 | Very low | 50.3 | Low | 98 Ų | 98 | 105.5 Ų | 105.5 | 69% | 0.685 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -12.6 | 174.2 | 32.2 | 0 | 0 | 0 | 0 | 114.1 | K900 | K900-S903 PolarHBondContact O-OG 2.79Š|
| 904 | E | 44 | Very low | 47.7 | Very low | 166 Ų | 166 | 110.5 Ų | 110.5 | 78% | 0.776 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -97.2 | -2.1 | -173.2 | -61.6 | 178.7 | 151.8 | 0 | 0 | 113.8 | ||
| 905 | T | 33.4 | Very low | 45.4 | Very low | 100 Ų | 100 | 112 Ų | 112 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | trans | -129.2 | 43.2 | -163.9 | 41 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 906 | N | 33 | Very low | 43.6 | Very low | 148 Ų | 148 | 116.8 Ų | 116.8 | 79% | 0.791 | 64% | 0.635 | S | S | * | * | trans | -142.2 | 74.5 | 168.6 | -83.6 | -71.5 | 0 | 0 | 0 | 113.7 | ||||
| 907 | N | 29.3 | Very low | 41.7 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 78% | 0.781 | 67% | 0.674 | S | S | * | * | trans | 52.9 | 129.7 | 139.7 | -82.1 | 11.9 | 0 | 0 | 0 | 123.8 | ||||
| 908 | I | 30.9 | Very low | 39.8 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 70% | 0.703 | 71% | 0.706 | S | S | * | * | trans | 89.4 | 96.7 | 143.9 | -60.6 | 158.9 | 0 | 0 | 0 | 118.4 | ||||
| 909 | D | 29.7 | Very low | 38.4 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | 50.9 | 146.6 | 125.8 | -48.5 | -27.4 | 0 | 0 | 0 | 124.8 | |||||
| 910 | L | 32.1 | Very low | 37.6 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | 79.3 | 92.8 | 164.1 | -55.9 | -176.7 | 0 | 0 | 0 | 119.7 | ||||
| 911 | D | 30.5 | Very low | 37.3 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | 83 | 153.2 | 121.3 | -59.5 | -11.3 | 0 | 0 | 0 | 123.5 | |||||
| 912 | E | 34.2 | Very low | 37.5 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | 74.5 | 135.8 | 174 | -61.1 | -163.2 | 155.9 | 0 | 0 | 120.3 | ||||
| 913 | E | 33.4 | Very low | 38.3 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | trans | -80 | 144.6 | -164.4 | -54.3 | 170.6 | 111.3 | 0 | 0 | 113.1 | ||||
| 914 | S | 27.6 | Very low | 39.4 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | 150 | 110.1 | 109.2 | 56.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 915 | T | 33.6 | Very low | 40.5 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 89% | 0.89 | 72% | 0.719 | S | S | * | * | -174.7 | 138 | 121.9 | 25.9 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 916 | I | 35 | Very low | 42.3 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | trans | -99 | 117.4 | 168.9 | -64 | 167.3 | 0 | 0 | 0 | 107.5 | ||||
| 917 | L | 32.6 | Very low | 44.4 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 87% | 0.869 | 69% | 0.693 | S | S | * | * | trans | 161.2 | 159.7 | 159.2 | -88.8 | 157.9 | 0 | 0 | 0 | 108.6 | ||||
| 918 | E | 37.8 | Very low | 46.7 | Very low | 187 Ų | 187 | 132.6 Ų | 132.6 | 87% | 0.874 | 68% | 0.682 | S | S | * | * | trans | 77.7 | 62 | -179.5 | -55.7 | -172.4 | -172.2 | 0 | 0 | 118.3 | ||||
| 919 | N | 44.5 | Very low | 48.9 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 73% | 0.733 | 65% | 0.652 | S | S | * | * | trans | -122.2 | -36.5 | 163.1 | -91.1 | -33.9 | 0 | 0 | 0 | 114.9 | D921 L922 | N919-D921 PolarHBondContact O-N 3.43Å; N919-L922 PolarHBondContact O-N 2.85Å | ||
| 920 | D | 49.1 | Very low | 51.4 | Low | 143 Ų | 143 | 122.8 Ų | 122.8 | 77% | 0.765 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.1 | -41.1 | -173.1 | -72.2 | -55.2 | 0 | 0 | 0 | 114.8 | L922 T923 D924 | D920-L922 PolarHBondContact O-N 3.33Å; D920-T923 PolarHBondContact O-N 3.12Å; D920-T923 PolarHBondContact O-OG1 3.23Å; D920-D924 PolarHBondContact O-N 3.36Å |
| 921 | D | 52.6 | Low | 53.9 | Low | 139 Ų | 139 | 119.3 Ų | 119.3 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -60.1 | -33.7 | -179.9 | -94.6 | -21.6 | 0 | 0 | 0 | 112.2 | N919 T923 D924 E925 | N919-D921 PolarHBondContact O-N 3.43Å; D921-T923 VanDerWaalsContact C-N 3.3Å; D921-T923 PolarHBondContact O-N 3.45Å; D921-D924 PolarHBondContact O-N 3.43Å; D921-E925 PolarHBondContact O-N 3.12Å; D921-E925 VanDerWaalsContact O-N 3.12Å |
| 922 | L | 53.8 | Low | 56.5 | Low | 97 Ų | 97 | 112.9 Ų | 112.9 | 51% | 0.508 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.3 | -38.6 | -178.9 | -143.1 | 87.4 | 0 | 0 | 0 | 111.3 | N919 D920 L926 | N919-L922 PolarHBondContact O-N 2.85Å; D920-L922 PolarHBondContact O-N 3.33Å; L922-L926 WeakPolarHBondContact O-CG 3.16Å; L922-L926 PolarHBondContact O-N 3.02Å |
| 923 | T | 62.9 | Low | 59 | Low | 70 Ų | 70 | 108.2 Ų | 108.2 | 43% | 0.429 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.5 | -36.4 | 175 | 13.7 | 0 | 0 | 0 | 0 | 113.1 | D920 D921 L926 K927 | D920-T923 PolarHBondContact O-N 3.12Å; D920-T923 PolarHBondContact O-OG1 3.23Å; D921-T923 VanDerWaalsContact C-N 3.3Å; D921-T923 PolarHBondContact O-N 3.45Å; T923-L926 PolarHBondContact O-N 3.48Å; T923-K927 VanDerWaalsContact O-CG 3.31Å; T923-K927 WeakPolarHBondContact O-CG 3.48Å; T923-K927 PolarHBondContact O-N 3.21Å |
| 924 | D | 67.6 | Low | 61.7 | Low | 57 Ų | 57 | 102.5 Ų | 102.5 | 31% | 0.305 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -76.3 | -37.2 | -178.9 | -157 | 59.3 | 0 | 0 | 0 | 112.6 | D920 D921 L926 K927 R928 | D920-D924 PolarHBondContact O-N 3.36Å; D921-D924 PolarHBondContact O-N 3.43Å; D924-L926 VanDerWaalsContact C-N 3.3Å; D924-L926 PolarHBondContact O-N 3Å; D924-K927 PolarHBondContact O-N 3.05Å; D924-R928 WeakPolarHBondContact O-CB 3.08Å; D924-R928 VanDerWaalsContact O-CG 3.3Å; D924-R928 WeakPolarHBondContact O-CG 3.4Å; D924-R928 PolarHBondContact O-N 3.11Å; D924-R928 IonicContact OD2-CZ 2.76Å; D924-R928 IonicContact OD2-NE 3.47Å; D924-R928 PolarHBondContact OD2-NE 3.17Å; D924-R928 IonicContact OD2-NH2 3.76Å; D924-R928 PolarHBondContact OD2-NH2 3.28Å |
| 925 | E | 66.2 | Low | 64.6 | Low | 87 Ų | 87 | 99.8 Ų | 99.8 | 41% | 0.407 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 169.5 | -75.6 | -158.1 | 147.3 | 0 | 0 | 112.1 | K900 D921 R928 L929 | K900-E925 IonicContact NZ-OE2 2.66Å; K900-E925 PolarHBondContact NZ-OE2 2.71Å; D921-E925 PolarHBondContact O-N 3.12Å; D921-E925 VanDerWaalsContact O-N 3.12Å; E925-R928 PolarHBondContact O-N 3.1Å; E925-L929 VanDerWaalsContact O-CG 3.29Å; E925-L929 WeakPolarHBondContact O-CG 3.47Å; E925-L929 PolarHBondContact O-N 3.15Å |
| 926 | L | 71.5 | Confident | 67.3 | Low | 60 Ų | 60 | 93 Ų | 93 | 31% | 0.314 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 178.4 | -75.3 | 170.8 | 0 | 0 | 0 | 112.1 | L897 K900 L922 T923 D924 L929 S930 | L897-L926 HydrophobicContact CD2-CD2 4.17Å; K900-L926 HydrophobicContact CB-CD2 4.29Å; K900-L926 HydrophobicContact CD-CD2 3.85Å; K900-L926 HydrophobicContact CD-CG 4.3Å; L922-L926 WeakPolarHBondContact O-CG 3.16Å; L922-L926 PolarHBondContact O-N 3.02Å; T923-L926 PolarHBondContact O-N 3.48Å; D924-L926 VanDerWaalsContact C-N 3.3Å; D924-L926 PolarHBondContact O-N 3Å; L926-L929 PolarHBondContact O-N 2.86Å; L926-S930 PolarHBondContact O-N 3.06Å |
| 927 | K | 78.4 | Confident | 69.9 | Low | 122 Ų | 122 | 88.4 Ų | 88.4 | 53% | 0.53 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.7 | -53.5 | 171.8 | -73.5 | 168 | -171.2 | 168.7 | 0 | 111 | T923 D924 L929 S930 T931 | T923-K927 VanDerWaalsContact O-CG 3.31Å; T923-K927 WeakPolarHBondContact O-CG 3.48Å; T923-K927 PolarHBondContact O-N 3.21Å; D924-K927 PolarHBondContact O-N 3.05Å; K927-L929 VanDerWaalsContact C-N 3.29Å; K927-L929 PolarHBondContact O-N 3.39Å; K927-S930 WeakPolarHBondContact O-CA 3.48Å; K927-S930 PolarHBondContact O-N 2.67Å; K927-S930 PolarHBondContact O-OG 3.24Å; K927-T931 PolarHBondContact O-N 3.33Å; K927-T931 PolarHBondContact O-OG1 2.81Å |
| 928 | R | 76.7 | Confident | 72.8 | Confident | 147 Ų | 147 | 86.3 Ų | 86.3 | 56% | 0.555 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -54.1 | -42.2 | 179.3 | -73.3 | 178.8 | -159.7 | -159.5 | 8.8 | 112.8 | T807 D924 E925 T931 L932 | T807-R928 HydrophobicContact CG2-CB 4.17Å; D924-R928 WeakPolarHBondContact O-CB 3.08Å; D924-R928 VanDerWaalsContact O-CG 3.3Å; D924-R928 WeakPolarHBondContact O-CG 3.4Å; D924-R928 PolarHBondContact O-N 3.11Å; D924-R928 IonicContact OD2-CZ 2.76Å; D924-R928 IonicContact OD2-NE 3.47Å; D924-R928 PolarHBondContact OD2-NE 3.17Å; D924-R928 IonicContact OD2-NH2 3.76Å; D924-R928 PolarHBondContact OD2-NH2 3.28Å; E925-R928 PolarHBondContact O-N 3.1Å; R928-T931 PolarHBondContact O-N 3.17Å; R928-L932 WeakPolarHBondContact O-CB 3.3Å; R928-L932 PolarHBondContact O-N 2.88Å |
| 929 | L | 76.9 | Confident | 75.4 | Confident | 13 Ų | 13 | 79.1 Ų | 79.1 | 7% | 0.068 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.5 | -34.1 | 175.9 | -70 | 169.4 | 0 | 0 | 0 | 113.4 | V893 L896 L897 E925 L926 K927 K933 | V893-L929 WeakPolarHBondContact CG1-O 3.26Å; L896-L929 HydrophobicContact CB-CD1 4.45Å; L896-L929 HydrophobicContact CD1-CD1 3.64Å; L896-L929 HydrophobicContact CD1-CD2 3.48Å; L896-L929 VanDerWaalsContact CD1-CD2 3.48Å; L896-L929 HydrophobicContact CD1-CG 4.2Å; L896-L929 HydrophobicContact CD2-CD1 4.41Å; L896-L929 HydrophobicContact CG-CD1 4.41Å; L897-L929 HydrophobicContact CD2-CB 3.96Å; E925-L929 VanDerWaalsContact O-CG 3.29Å; E925-L929 WeakPolarHBondContact O-CG 3.47Å; E925-L929 PolarHBondContact O-N 3.15Å; L926-L929 PolarHBondContact O-N 2.86Å; K927-L929 VanDerWaalsContact C-N 3.29Å; K927-L929 PolarHBondContact O-N 3.39Å; L929-K933 WeakPolarHBondContact O-CB 3.37Å; L929-K933 PolarHBondContact O-N 3.29Å |
| 930 | S | 81.9 | Confident | 77.7 | Confident | 60 Ų | 60 | 72.6 Ų | 72.6 | 42% | 0.42 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.9 | -38.9 | 173.8 | 76.6 | 0 | 0 | 0 | 0 | 112.3 | L926 K927 K933 S934 | L926-S930 PolarHBondContact O-N 3.06Å; K927-S930 WeakPolarHBondContact O-CA 3.48Å; K927-S930 PolarHBondContact O-N 2.67Å; K927-S930 PolarHBondContact O-OG 3.24Å; S930-K933 WeakPolarHBondContact O-CB 3.43Å; S930-K933 PolarHBondContact O-N 2.77Å; S930-S934 PolarHBondContact O-N 3.21Å |
| 931 | T | 85.8 | Confident | 79.9 | Confident | 74 Ų | 74 | 69.6 Ų | 69.6 | 45% | 0.454 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 172.1 | -52.6 | 0 | 0 | 0 | 0 | 110.6 | K927 R928 K933 S934 N935 | K927-T931 PolarHBondContact O-N 3.33Å; K927-T931 PolarHBondContact O-OG1 2.81Å; R928-T931 PolarHBondContact O-N 3.17Å; T931-K933 VanDerWaalsContact C-N 3.28Å; T931-K933 PolarHBondContact O-N 3.42Å; T931-S934 CarbonylContact O-C 3.59Å; T931-S934 WeakPolarHBondContact O-CA 3.36Å; T931-S934 VanDerWaalsContact O-CB 3.26Å; T931-S934 WeakPolarHBondContact O-CB 3.4Å; T931-S934 PolarHBondContact O-N 2.64Å; T931-N935 PolarHBondContact O-N 3.01Å; T931-N935 PolarHBondContact O-OD1 3.01Å |
| 932 | L | 84.7 | Confident | 81.9 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.6 | -40.3 | 176.8 | -180 | 59.4 | 0 | 0 | 0 | 112.3 | S810 V893 R928 S934 N935 I936 | S810-L932 VanDerWaalsContact CB-CD1 3.44Å; V893-L932 HydrophobicContact CG2-CD2 3.75Å; V893-L932 HydrophobicContact CG2-CG 4.13Å; R928-L932 WeakPolarHBondContact O-CB 3.3Å; R928-L932 PolarHBondContact O-N 2.88Å; L932-S934 VanDerWaalsContact C-N 3.32Å; L932-S934 PolarHBondContact O-N 3.34Å; L932-N935 PolarHBondContact O-N 3.13Å; L932-I936 HydrophobicContact CD1-CD1 3.91Å; L932-I936 HydrophobicContact CD1-CG1 4.19Å; L932-I936 HydrophobicContact CG-CD1 3.87Å; L932-I936 WeakPolarHBondContact O-CD1 3.32Å; L932-I936 VanDerWaalsContact O-CG1 3.22Å; L932-I936 WeakPolarHBondContact O-CG1 3.35Å; L932-I936 PolarHBondContact O-N 2.88Å |
| 933 | K | 86.9 | Confident | 83.8 | Confident | 100 Ų | 100 | 62 Ų | 62 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 172.8 | -176.4 | -173.1 | 171.5 | -167.3 | 0 | 111.9 | V893 L897 L929 S930 T931 N937 | V893-K933 HydrophobicContact CG1-CB 3.91Å; L897-K933 HydrophobicContact CD1-CD 3.86Å; L929-K933 WeakPolarHBondContact O-CB 3.37Å; L929-K933 PolarHBondContact O-N 3.29Å; S930-K933 WeakPolarHBondContact O-CB 3.43Å; S930-K933 PolarHBondContact O-N 2.77Å; T931-K933 VanDerWaalsContact C-N 3.28Å; T931-K933 PolarHBondContact O-N 3.42Å; K933-N937 WeakPolarHBondContact O-CB 3.06Å; K933-N937 PolarHBondContact O-N 2.77Å; K933-N937 PolarHBondContact O-ND2 3.05Å |
| 934 | S | 89.1 | Confident | 85.3 | Confident | 67 Ų | 67 | 58.7 Ų | 58.7 | 47% | 0.469 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.2 | -54.4 | 175.5 | -160.5 | 0 | 0 | 0 | 0 | 111 | S930 T931 L932 I936 N937 E938 | S930-S934 PolarHBondContact O-N 3.21Å; T931-S934 CarbonylContact O-C 3.59Å; T931-S934 WeakPolarHBondContact O-CA 3.36Å; T931-S934 VanDerWaalsContact O-CB 3.26Å; T931-S934 WeakPolarHBondContact O-CB 3.4Å; T931-S934 PolarHBondContact O-N 2.64Å; L932-S934 VanDerWaalsContact C-N 3.32Å; L932-S934 PolarHBondContact O-N 3.34Å; S934-I936 VanDerWaalsContact C-N 3.29Å; S934-I936 PolarHBondContact O-N 3.39Å; S934-N937 WeakPolarHBondContact O-CA 3.37Å; S934-N937 WeakPolarHBondContact O-CB 3.28Å; S934-N937 PolarHBondContact O-N 3.04Å; S934-E938 WeakPolarHBondContact O-CB 3.42Å; S934-E938 PolarHBondContact O-N 3.25Å |
| 935 | N | 89 | Confident | 86.5 | Confident | 52 Ų | 52 | 61 Ų | 61 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.3 | -38.9 | -177.5 | -60.4 | 13.7 | 0 | 0 | 0 | 112.2 | L814 T931 L932 I939 | L814-N935 HydrophobicContact CD1-CB 4.27Å; T931-N935 PolarHBondContact O-N 3.01Å; T931-N935 PolarHBondContact O-OD1 3.01Å; L932-N935 PolarHBondContact O-N 3.13Å; N935-I939 WeakPolarHBondContact O-CB 3.41Å; N935-I939 WeakPolarHBondContact O-CG1 3.04Å; N935-I939 PolarHBondContact O-N 2.93Å |
| 936 | I | 89.5 | Confident | 87.8 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 175.6 | -64.2 | 161.5 | 0 | 0 | 0 | 111.3 | L814 L886 L889 C890 V893 L932 S934 L940 | L814-I936 HydrophobicContact CD1-CG1 4.22Å; L814-I936 HydrophobicContact CD2-CG1 4.05Å; L886-I936 HydrophobicContact CD2-CG2 4.42Å; L889-I936 HydrophobicContact CB-CD1 3.87Å; C890-I936 WeakPolarHBondContact SG-CG2 3.23Å; V893-I936 HydrophobicContact CG2-CD1 4.38Å; L932-I936 HydrophobicContact CD1-CD1 3.91Å; L932-I936 HydrophobicContact CD1-CG1 4.19Å; L932-I936 HydrophobicContact CG-CD1 3.87Å; L932-I936 WeakPolarHBondContact O-CD1 3.32Å; L932-I936 VanDerWaalsContact O-CG1 3.22Å; L932-I936 WeakPolarHBondContact O-CG1 3.35Å; L932-I936 PolarHBondContact O-N 2.88Å; S934-I936 VanDerWaalsContact C-N 3.29Å; S934-I936 PolarHBondContact O-N 3.39Å; I936-L940 HydrophobicContact CG2-CD1 4.03Å; I936-L940 WeakPolarHBondContact O-CB 3.44Å; I936-L940 VanDerWaalsContact O-CG 3.28Å; I936-L940 WeakPolarHBondContact O-CG 3.26Å; I936-L940 PolarHBondContact O-N 3.09Å |
| 937 | N | 91 | Very high | 88.8 | Confident | 70 Ų | 70 | 56.6 Ų | 56.6 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 178.2 | -73.1 | -9.2 | 0 | 0 | 0 | 111.9 | K933 S934 L940 N941 | K933-N937 WeakPolarHBondContact O-CB 3.06Å; K933-N937 PolarHBondContact O-N 2.77Å; K933-N937 PolarHBondContact O-ND2 3.05Å; S934-N937 WeakPolarHBondContact O-CA 3.37Å; S934-N937 WeakPolarHBondContact O-CB 3.28Å; S934-N937 PolarHBondContact O-N 3.04Å; N937-L940 PolarHBondContact O-N 3.32Å; N937-N941 PolarHBondContact O-N 3.44Å; N937-N941 PolarHBondContact O-ND2 3.21Å; N937-N941 PolarHBondContact O-OD1 3.36Å |
| 938 | E | 92.8 | Very high | 89.5 | Confident | 123 Ų | 123 | 52.9 Ų | 52.9 | 58% | 0.575 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.5 | -48.9 | 175.7 | -176.9 | 174.7 | -172.8 | 0 | 0 | 110.9 | S934 L940 N941 D942 | S934-E938 WeakPolarHBondContact O-CB 3.42Å; S934-E938 PolarHBondContact O-N 3.25Å; E938-L940 PolarHBondContact O-N 2.99Å; E938-N941 WeakPolarHBondContact O-CB 3.32Å; E938-N941 PolarHBondContact O-N 2.88Å; E938-N941 VanDerWaalsContact O-N 3.15Å; E938-D942 PolarHBondContact O-N 3.36Å |
| 939 | I | 92.9 | Very high | 90.1 | Very high | 35 Ų | 35 | 50 Ų | 50 | 18% | 0.179 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.9 | -33.2 | 176.8 | -71.3 | 173.2 | 0 | 0 | 0 | 111.9 | L814 H818 N935 I943 | L814-I939 HydrophobicContact CB-CD1 3.62Å; L814-I939 HydrophobicContact CD1-CD1 4.2Å; L814-I939 HydrophobicContact CG-CD1 4.43Å; H818-I939 HydrophobicContact CB-CG2 4.07Å; N935-I939 WeakPolarHBondContact O-CB 3.41Å; N935-I939 WeakPolarHBondContact O-CG1 3.04Å; N935-I939 PolarHBondContact O-N 2.93Å; I939-I943 HydrophobicContact CG2-CD1 3.95Å; I939-I943 HydrophobicContact CG2-CG1 4.42Å; I939-I943 WeakPolarHBondContact O-CB 3.33Å; I939-I943 WeakPolarHBondContact O-CD1 3.29Å; I939-I943 WeakPolarHBondContact O-CG1 3.43Å; I939-I943 PolarHBondContact O-N 3.49Å |
| 940 | L | 93.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -39 | 171 | -78.4 | 168 | 0 | 0 | 0 | 112.1 | L886 I936 N937 E938 V944 F971 Y975 | L886-L940 HydrophobicContact CB-CD2 4.18Å; L886-L940 HydrophobicContact CD1-CD2 3.89Å; L886-L940 HydrophobicContact CD1-CG 4.5Å; I936-L940 HydrophobicContact CG2-CD1 4.03Å; I936-L940 WeakPolarHBondContact O-CB 3.44Å; I936-L940 VanDerWaalsContact O-CG 3.28Å; I936-L940 WeakPolarHBondContact O-CG 3.26Å; I936-L940 PolarHBondContact O-N 3.09Å; N937-L940 PolarHBondContact O-N 3.32Å; E938-L940 PolarHBondContact O-N 2.99Å; L940-V944 WeakPolarHBondContact O-CG2 3.37Å; L940-V944 PolarHBondContact O-N 3.26Å; L940-F971 HydrophobicContact CD1-CE1 3.93Å; L940-F971 HydrophobicContact CD1-CE2 4.19Å; L940-F971 HydrophobicContact CD1-CZ 3.61Å; L940-F971 HydrophobicContact CD2-CE2 4.04Å; L940-F971 HydrophobicContact CD2-CZ 4.24Å; L940-Y975 WeakPolarHBondContact CB-OH 3.15Å |
| 941 | N | 94.2 | Very high | 90.8 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 42% | 0.422 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 175.3 | -66.5 | -14.9 | 0 | 0 | 0 | 111.2 | N937 E938 V944 Q945 Y975 | N937-N941 PolarHBondContact O-N 3.44Å; N937-N941 PolarHBondContact O-ND2 3.21Å; N937-N941 PolarHBondContact O-OD1 3.36Å; E938-N941 WeakPolarHBondContact O-CB 3.32Å; E938-N941 PolarHBondContact O-N 2.88Å; E938-N941 VanDerWaalsContact O-N 3.15Å; N941-V944 PolarHBondContact O-N 2.82Å; N941-V944 VanDerWaalsContact O-N 3.13Å; N941-Q945 WeakPolarHBondContact O-CG 3.47Å; N941-Q945 PolarHBondContact O-N 2.97Å; N941-Y975 WeakPolarHBondContact OD1-CE1 3.38Å; N941-Y975 PolarHBondContact OD1-OH 2.85Å |
| 942 | D | 94.3 | Very high | 90.5 | Very high | 77 Ų | 77 | 50.5 Ų | 50.5 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 176.9 | -171.5 | 34.8 | 0 | 0 | 0 | 111.4 | H818 E938 V944 Q945 V946 | H818-D942 IonicContact CD2-OD2 2.71Å; H818-D942 IonicContact CE1-OD2 3.88Å; H818-D942 IonicContact NE2-OD2 3.94Å; H818-D942 PolarHBondContact NE2-OD2 3Å; E938-D942 PolarHBondContact O-N 3.36Å; D942-V944 VanDerWaalsContact C-N 3.27Å; D942-V944 PolarHBondContact O-N 3.44Å; D942-Q945 PolarHBondContact O-N 3.09Å; D942-Q945 VanDerWaalsContact O-N 3.16Å; D942-V946 WeakPolarHBondContact O-CB 3.47Å; D942-V946 WeakPolarHBondContact O-CG2 3.2Å; D942-V946 PolarHBondContact O-N 2.87Å |
| 943 | I | 94.2 | Very high | 90 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.1 | -44.7 | 172.2 | -67.8 | 164 | 0 | 0 | 0 | 110.8 | C821 I883 L886 I939 C947 I967 | C821-I943 HydrophobicContact CB-CD1 3.81Å; C821-I943 HydrophobicContact CB-CG1 4.04Å; C821-I943 HydrophobicContact CB-CG2 3.88Å; I883-I943 HydrophobicContact CD1-CD1 4.33Å; I883-I943 HydrophobicContact CD1-CG2 4.14Å; L886-I943 HydrophobicContact CD1-CD1 3.61Å; I939-I943 HydrophobicContact CG2-CD1 3.95Å; I939-I943 HydrophobicContact CG2-CG1 4.42Å; I939-I943 WeakPolarHBondContact O-CB 3.33Å; I939-I943 WeakPolarHBondContact O-CD1 3.29Å; I939-I943 WeakPolarHBondContact O-CG1 3.43Å; I939-I943 PolarHBondContact O-N 3.49Å; I943-C947 WeakPolarHBondContact O-CB 3.42Å; I943-C947 PolarHBondContact O-N 3.37Å; I943-C947 PolarHBondContact O-SG 2.93Å; I943-I967 HydrophobicContact CG2-CD1 3.9Å |
| 944 | V | 94.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 179.1 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | L940 N941 D942 C947 I948 I967 Y975 D978 | L940-V944 WeakPolarHBondContact O-CG2 3.37Å; L940-V944 PolarHBondContact O-N 3.26Å; N941-V944 PolarHBondContact O-N 2.82Å; N941-V944 VanDerWaalsContact O-N 3.13Å; D942-V944 VanDerWaalsContact C-N 3.27Å; D942-V944 PolarHBondContact O-N 3.44Å; V944-C947 PolarHBondContact O-N 3.39Å; V944-I948 HydrophobicContact CG1-CD1 3.67Å; V944-I948 HydrophobicContact CG1-CG1 4.44Å; V944-I948 WeakPolarHBondContact O-CB 3.49Å; V944-I948 VanDerWaalsContact O-CG1 3.32Å; V944-I948 WeakPolarHBondContact O-CG1 3.31Å; V944-I948 PolarHBondContact O-N 3.07Å; V944-I967 HydrophobicContact CG2-CD1 3.71Å; V944-I967 HydrophobicContact CG2-CG2 4.23Å; V944-Y975 HydrophobicContact CB-CD1 4.4Å; V944-Y975 HydrophobicContact CB-CE1 4.45Å; V944-Y975 HydrophobicContact CG1-CD1 4.2Å; V944-Y975 HydrophobicContact CG2-CD1 3.85Å; V944-Y975 HydrophobicContact CG2-CD2 4.39Å; V944-Y975 HydrophobicContact CG2-CE1 3.95Å; V944-Y975 HydrophobicContact CG2-CE2 4.48Å; V944-Y975 HydrophobicContact CG2-CG 4.08Å; V944-D978 HydrophobicContact CG1-CB 4.41Å |
| 945 | Q | 93.4 | Very high | 89.3 | Confident | 104 Ų | 104 | 53.6 Ų | 53.6 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | -179.6 | -64.7 | -56.4 | -30 | 0 | 0 | 112.2 | N941 D942 C947 I948 S949 | N941-Q945 WeakPolarHBondContact O-CG 3.47Å; N941-Q945 PolarHBondContact O-N 2.97Å; D942-Q945 PolarHBondContact O-N 3.09Å; D942-Q945 VanDerWaalsContact O-N 3.16Å; Q945-C947 PolarHBondContact O-N 3.32Å; Q945-I948 PolarHBondContact O-N 3.44Å; Q945-S949 VanDerWaalsContact O-CB 3.22Å; Q945-S949 WeakPolarHBondContact O-CB 3.48Å; Q945-S949 PolarHBondContact O-N 3.26Å; Q945-S949 PolarHBondContact O-OG 3.41Å |
| 946 | V | 92.7 | Very high | 89.1 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 34% | 0.339 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 175.3 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | C822 D942 C950 | C822-V946 HydrophobicContact CB-CG1 4Å; D942-V946 WeakPolarHBondContact O-CB 3.47Å; D942-V946 WeakPolarHBondContact O-CG2 3.2Å; D942-V946 PolarHBondContact O-N 2.87Å; V946-C950 WeakPolarHBondContact O-CB 3.33Å; V946-C950 PolarHBondContact O-N 3.05Å; V946-C950 VanDerWaalsContact O-N 3.11Å |
| 947 | C | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.2 | -33.1 | -178.3 | -67.1 | 0 | 0 | 0 | 0 | 113.5 | I943 V944 Q945 C960 L964 | I943-C947 WeakPolarHBondContact O-CB 3.42Å; I943-C947 PolarHBondContact O-N 3.37Å; I943-C947 PolarHBondContact O-SG 2.93Å; V944-C947 PolarHBondContact O-N 3.39Å; Q945-C947 PolarHBondContact O-N 3.32Å; C947-C960 HydrophobicContact CB-CB 3.78Å; C947-C960 VanDerWaalsContact SG-CA 3.58Å; C947-L964 HydrophobicContact CB-CD1 3.82Å; C947-L964 HydrophobicContact CB-CD2 3.94Å; C947-L964 HydrophobicContact CB-CG 3.61Å |
| 948 | I | 92 | Very high | 89 | Confident | 43 Ų | 43 | 50.3 Ų | 50.3 | 22% | 0.221 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.5 | -38 | 175.2 | -74.3 | 176.1 | 0 | 0 | 0 | 110.9 | V944 Q945 C950 L964 D978 F982 | V944-I948 HydrophobicContact CG1-CD1 3.67Å; V944-I948 HydrophobicContact CG1-CG1 4.44Å; V944-I948 WeakPolarHBondContact O-CB 3.49Å; V944-I948 VanDerWaalsContact O-CG1 3.32Å; V944-I948 WeakPolarHBondContact O-CG1 3.31Å; V944-I948 PolarHBondContact O-N 3.07Å; Q945-I948 PolarHBondContact O-N 3.44Å; I948-C950 VanDerWaalsContact C-N 3.27Å; I948-C950 PolarHBondContact O-N 2.89Å; I948-L964 HydrophobicContact CG1-CD1 3.99Å; I948-L964 HydrophobicContact CG1-CD2 4.03Å; I948-D978 HydrophobicContact CD1-CB 3.78Å; I948-F982 HydrophobicContact CB-CD2 4.35Å; I948-F982 HydrophobicContact CD1-CB 4.41Å; I948-F982 HydrophobicContact CG1-CB 4.26Å; I948-F982 HydrophobicContact CG1-CD2 4.28Å; I948-F982 HydrophobicContact CG1-CG 4.21Å; I948-F982 HydrophobicContact CG2-CD2 3.98Å |
| 949 | S | 90.2 | Very high | 88.9 | Confident | 88 Ų | 88 | 44.4 Ų | 44.4 | 62% | 0.615 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -79.8 | -5.3 | 179.6 | -52.7 | 0 | 0 | 0 | 0 | 113.8 | Q945 P951 | Q945-S949 VanDerWaalsContact O-CB 3.22Å; Q945-S949 WeakPolarHBondContact O-CB 3.48Å; Q945-S949 PolarHBondContact O-N 3.26Å; Q945-S949 PolarHBondContact O-OG 3.41Å; S949-P951 WeakPolarHBondContact O-CD 3.39Å |
| 950 | C | 88.1 | Confident | 88.9 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 12% | 0.122 | 24% | 0.244 | C | C | . | . | trans | -67.7 | 123.6 | -175.4 | -169 | 0 | 0 | 0 | 0 | 111.4 | V946 I948 Y957 C960 | V946-C950 WeakPolarHBondContact O-CB 3.33Å; V946-C950 PolarHBondContact O-N 3.05Å; V946-C950 VanDerWaalsContact O-N 3.11Å; I948-C950 VanDerWaalsContact C-N 3.27Å; I948-C950 PolarHBondContact O-N 2.89Å; C950-Y957 HydrophobicContact CB-CD2 4Å; C950-Y957 VanDerWaalsContact O-CD2 3.27Å; C950-Y957 WeakPolarHBondContact O-CD2 3.45Å; C950-Y957 WeakPolarHBondContact O-CE2 3.27Å; C950-C960 HydrophobicContact CB-CB 3.99Å | ||
| 951 | P | 85.6 | Confident | 88.9 | Confident | 87 Ų | 87 | 42.8 Ų | 42.8 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | trans | -62.2 | 142.3 | 179.8 | -25 | 35.1 | 0 | 0 | 0 | 113.2 | S949 L953 S954 Y957 | S949-P951 WeakPolarHBondContact O-CD 3.39Å; P951-L953 PolarHBondContact O-N 2.99Å; P951-L953 VanDerWaalsContact O-N 3.14Å; P951-S954 VanDerWaalsContact O-CB 3.26Å; P951-S954 WeakPolarHBondContact O-CB 3.33Å; P951-S954 PolarHBondContact O-N 3.1Å; P951-Y957 WeakPolarHBondContact O-CD2 3.35Å | ||
| 952 | T | 79 | Confident | 88.9 | Confident | 51 Ų | 51 | 39 Ų | 39 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.8 | -177.9 | 51 | 0 | 0 | 0 | 0 | 114.6 | Y957 V991 | T952-Y957 HydrophobicContact CG2-CE1 4.15Å; T952-Y957 HydrophobicContact CG2-CE2 4.42Å; T952-V991 HydrophobicContact CG2-CG2 3.87Å |
| 953 | L | 74.3 | Confident | 88.9 | Confident | 90 Ų | 90 | 35.3 Ų | 35.3 | 47% | 0.471 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.6 | 176.2 | -76.3 | 167.5 | 0 | 0 | 0 | 113.9 | P951 L999 | P951-L953 PolarHBondContact O-N 2.99Å; P951-L953 VanDerWaalsContact O-N 3.14Å; L953-L999 HydrophobicContact CD1-CD2 4.43Å; L953-L999 HydrophobicContact CD2-CD1 4.22Å; L953-L999 HydrophobicContact CD2-CD2 4.18Å; L953-L999 HydrophobicContact CG-CD2 4.34Å |
| 954 | S | 82.7 | Confident | 89 | Confident | 37 Ų | 37 | 35.3 Ų | 35.3 | 26% | 0.259 | 20% | 0.204 | S | C | . | . | trans | -67.7 | 141.7 | 178.9 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | P951 D956 Y957 | P951-S954 VanDerWaalsContact O-CB 3.26Å; P951-S954 WeakPolarHBondContact O-CB 3.33Å; P951-S954 PolarHBondContact O-N 3.1Å; S954-D956 PolarHBondContact O-N 3.13Å; S954-D956 PolarHBondContact OG-N 3.42Å; S954-Y957 WeakPolarHBondContact O-CB 3.41Å; S954-Y957 PolarHBondContact O-N 3.17Å; S954-Y957 VanDerWaalsContact O-N 3.13Å | ||
| 955 | N | 78.2 | Confident | 89 | Confident | 111 Ų | 111 | 35.3 Ų | 35.3 | 59% | 0.594 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -35.5 | 171 | -67.8 | -47.1 | 0 | 0 | 0 | 111.5 | Y957 | N955-Y957 VanDerWaalsContact C-N 3.27Å; N955-Y957 PolarHBondContact O-N 2.87Å |
| 956 | D | 84.7 | Confident | 89.1 | Confident | 45 Ų | 45 | 31.1 Ų | 31.1 | 24% | 0.241 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17.1 | -179.8 | -59.2 | -50.7 | 0 | 0 | 0 | 113.4 | T823 S954 I958 S959 C960 | T823-D956 WeakPolarHBondContact CA-OD1 3.47Å; T823-D956 WeakPolarHBondContact CB-OD1 3.39Å; T823-D956 WeakPolarHBondContact CG2-OD1 3.38Å; S954-D956 PolarHBondContact O-N 3.13Å; S954-D956 PolarHBondContact OG-N 3.42Å; D956-I958 PolarHBondContact O-N 3.43Å; D956-S959 WeakPolarHBondContact O-CA 3.45Å; D956-S959 WeakPolarHBondContact O-CB 3.28Å; D956-S959 PolarHBondContact O-N 3.33Å; D956-C960 PolarHBondContact O-N 3.26Å |
| 957 | Y | 89.6 | Confident | 89.2 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.1 | -32.3 | -171.8 | -168.7 | -116.8 | 0 | 0 | 0 | 113 | C950 P951 T952 S954 N955 S959 L961 F982 V991 A1041 | C950-Y957 HydrophobicContact CB-CD2 4Å; C950-Y957 VanDerWaalsContact O-CD2 3.27Å; C950-Y957 WeakPolarHBondContact O-CD2 3.45Å; C950-Y957 WeakPolarHBondContact O-CE2 3.27Å; P951-Y957 WeakPolarHBondContact O-CD2 3.35Å; T952-Y957 HydrophobicContact CG2-CE1 4.15Å; T952-Y957 HydrophobicContact CG2-CE2 4.42Å; S954-Y957 WeakPolarHBondContact O-CB 3.41Å; S954-Y957 PolarHBondContact O-N 3.17Å; S954-Y957 VanDerWaalsContact O-N 3.13Å; N955-Y957 VanDerWaalsContact C-N 3.27Å; N955-Y957 PolarHBondContact O-N 2.87Å; Y957-S959 VanDerWaalsContact C-N 3.34Å; Y957-S959 PolarHBondContact O-N 3.4Å; Y957-L961 HydrophobicContact CD1-CD1 3.86Å; Y957-L961 HydrophobicContact CD1-CG 4.2Å; Y957-L961 HydrophobicContact CE1-CD1 3.5Å; Y957-L961 VanDerWaalsContact CE1-CD1 3.5Å; Y957-L961 HydrophobicContact CE1-CD2 4.33Å; Y957-L961 HydrophobicContact CE1-CG 3.92Å; Y957-L961 HydrophobicContact CE2-CD2 4.38Å; Y957-L961 HydrophobicContact CE2-CG 4.35Å; Y957-L961 WeakPolarHBondContact O-CB 3.34Å; Y957-L961 VanDerWaalsContact O-CG 3.28Å; Y957-L961 WeakPolarHBondContact O-CG 3.38Å; Y957-L961 PolarHBondContact O-N 2.99Å; Y957-F982 HydrophobicContact CE2-CZ 4.46Å; Y957-V991 HydrophobicContact CE1-CG2 3.9Å; Y957-V991 WeakPolarHBondContact OH-CG2 3.37Å; Y957-A1041 HydrophobicContact CD1-CB 4.06Å; Y957-A1041 HydrophobicContact CE1-CB 4.16Å |
| 958 | I | 88.9 | Confident | 89.2 | Confident | 8 Ų | 8 | 28.5 Ų | 28.5 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.9 | -36.7 | 176.8 | -64.2 | 166.8 | 0 | 0 | 0 | 111.7 | W872 D956 T962 R1040 | W872-I958 HydrophobicContact CE3-CG2 3.81Å; W872-I958 HydrophobicContact CZ3-CG2 4.47Å; D956-I958 PolarHBondContact O-N 3.43Å; I958-T962 WeakPolarHBondContact O-CB 3.27Å; I958-T962 PolarHBondContact O-N 2.95Å; I958-T962 PolarHBondContact O-OG1 3.46Å; I958-R1040 HydrophobicContact CD1-CB 3.57Å; I958-R1040 HydrophobicContact CD1-CG 4.23Å; I958-R1040 HydrophobicContact CG1-CB 4.08Å |
| 959 | S | 90.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -75.5 | -47.4 | 176.3 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | C822 T823 S879 D956 Y957 L961 T962 S963 | C822-S959 WeakPolarHBondContact O-CB 3.47Å; T823-S959 VanDerWaalsContact C-CB 3.5Å; T823-S959 WeakPolarHBondContact O-CB 3.17Å; T823-S959 PolarHBondContact O-OG 2.78Å; S879-S959 WeakPolarHBondContact OG-CB 3.32Å; D956-S959 WeakPolarHBondContact O-CA 3.45Å; D956-S959 WeakPolarHBondContact O-CB 3.28Å; D956-S959 PolarHBondContact O-N 3.33Å; Y957-S959 VanDerWaalsContact C-N 3.34Å; Y957-S959 PolarHBondContact O-N 3.4Å; S959-L961 PolarHBondContact O-N 2.63Å; S959-T962 CarbonylContact O-C 3.49Å; S959-T962 WeakPolarHBondContact O-CA 3.3Å; S959-T962 WeakPolarHBondContact O-CB 3.33Å; S959-T962 PolarHBondContact O-N 3.35Å; S959-S963 PolarHBondContact O-N 3.29Å; S959-S963 PolarHBondContact O-OG 3.37Å |
| 960 | C | 93.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -52.4 | -52.4 | 172.7 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | C822 C947 C950 D956 T962 S963 L964 | C822-C960 PolarHBondContact O-SG 3.29Å; C947-C960 HydrophobicContact CB-CB 3.78Å; C947-C960 VanDerWaalsContact SG-CA 3.58Å; C950-C960 HydrophobicContact CB-CB 3.99Å; D956-C960 PolarHBondContact O-N 3.26Å; C960-T962 PolarHBondContact O-N 3.31Å; C960-S963 PolarHBondContact O-N 3.38Å; C960-S963 VanDerWaalsContact O-N 3.15Å; C960-L964 WeakPolarHBondContact O-CG 3.2Å; C960-L964 PolarHBondContact O-N 3.17Å |
| 961 | L | 94 | Very high | 89.3 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -29.9 | 174.6 | -72.9 | -176.8 | 0 | 0 | 0 | 112.9 | Y957 S959 S965 F982 L987 A1041 L1048 | Y957-L961 HydrophobicContact CD1-CD1 3.86Å; Y957-L961 HydrophobicContact CD1-CG 4.2Å; Y957-L961 HydrophobicContact CE1-CD1 3.5Å; Y957-L961 VanDerWaalsContact CE1-CD1 3.5Å; Y957-L961 HydrophobicContact CE1-CD2 4.33Å; Y957-L961 HydrophobicContact CE1-CG 3.92Å; Y957-L961 HydrophobicContact CE2-CD2 4.38Å; Y957-L961 HydrophobicContact CE2-CG 4.35Å; Y957-L961 WeakPolarHBondContact O-CB 3.34Å; Y957-L961 VanDerWaalsContact O-CG 3.28Å; Y957-L961 WeakPolarHBondContact O-CG 3.38Å; Y957-L961 PolarHBondContact O-N 2.99Å; S959-L961 PolarHBondContact O-N 2.63Å; L961-S965 WeakPolarHBondContact O-CB 3.43Å; L961-S965 PolarHBondContact O-N 2.96Å; L961-F982 HydrophobicContact CD2-CE1 3.67Å; L961-F982 HydrophobicContact CD2-CZ 3.76Å; L961-L987 HydrophobicContact CD1-CD1 4.29Å; L961-L987 HydrophobicContact CD2-CD1 3.51Å; L961-A1041 HydrophobicContact CD1-CB 4.45Å; L961-L1048 HydrophobicContact CD2-CD2 3.92Å |
| 962 | T | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -76.6 | -36 | 176.8 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | R876 K880 I958 S959 C960 S965 H966 | R876-T962 HydrophobicContact CB-CG2 4.49Å; R876-T962 HydrophobicContact CG-CG2 3.62Å; R876-T962 WeakPolarHBondContact O-CG2 3.39Å; K880-T962 HydrophobicContact CB-CG2 4.35Å; I958-T962 WeakPolarHBondContact O-CB 3.27Å; I958-T962 PolarHBondContact O-N 2.95Å; I958-T962 PolarHBondContact O-OG1 3.46Å; S959-T962 CarbonylContact O-C 3.49Å; S959-T962 WeakPolarHBondContact O-CA 3.3Å; S959-T962 WeakPolarHBondContact O-CB 3.33Å; S959-T962 PolarHBondContact O-N 3.35Å; C960-T962 PolarHBondContact O-N 3.31Å; T962-S965 WeakPolarHBondContact O-CB 3.37Å; T962-S965 PolarHBondContact O-N 3.36Å; T962-H966 PolarHBondContact O-CD2 3.25Å; T962-H966 PolarHBondContact O-N 3.4Å |
| 963 | S | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67 | -52.2 | 174.5 | -69.6 | 0 | 0 | 0 | 0 | 110.6 | C821 S959 C960 S965 H966 I967 | C821-S963 VanDerWaalsContact C-OG 3.27Å; C821-S963 VanDerWaalsContact CA-OG 3.25Å; C821-S963 WeakPolarHBondContact CA-OG 3.1Å; C821-S963 WeakPolarHBondContact CB-OG 3.44Å; C821-S963 WeakPolarHBondContact O-CB 3.29Å; C821-S963 PolarHBondContact O-OG 3.38Å; S959-S963 PolarHBondContact O-N 3.29Å; S959-S963 PolarHBondContact O-OG 3.37Å; C960-S963 PolarHBondContact O-N 3.38Å; C960-S963 VanDerWaalsContact O-N 3.15Å; S963-S965 VanDerWaalsContact C-N 3.26Å; S963-S965 PolarHBondContact O-N 3.24Å; S963-H966 CarbonylContact O-C 3.53Å; S963-H966 WeakPolarHBondContact O-CA 3.27Å; S963-H966 PolarHBondContact O-N 3.13Å; S963-I967 WeakPolarHBondContact O-CG1 3.35Å; S963-I967 PolarHBondContact O-N 2.92Å |
| 964 | L | 95.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.5 | -42.6 | 170.6 | -66.9 | 173 | 0 | 0 | 0 | 111.5 | C947 I948 C960 H966 I967 A968 F982 L1048 | C947-L964 HydrophobicContact CB-CD1 3.82Å; C947-L964 HydrophobicContact CB-CD2 3.94Å; C947-L964 HydrophobicContact CB-CG 3.61Å; I948-L964 HydrophobicContact CG1-CD1 3.99Å; I948-L964 HydrophobicContact CG1-CD2 4.03Å; C960-L964 WeakPolarHBondContact O-CG 3.2Å; C960-L964 PolarHBondContact O-N 3.17Å; L964-H966 PolarHBondContact O-N 2.98Å; L964-I967 PolarHBondContact O-N 3.15Å; L964-A968 VanDerWaalsContact O-CB 3.26Å; L964-A968 WeakPolarHBondContact O-CB 3.47Å; L964-A968 PolarHBondContact O-N 2.92Å; L964-F982 HydrophobicContact CD1-CD1 4.11Å; L964-F982 HydrophobicContact CD1-CE1 3.82Å; L964-F982 HydrophobicContact CD1-CZ 4.24Å; L964-L1048 HydrophobicContact CB-CD1 4.08Å; L964-L1048 HydrophobicContact CB-CD2 4.16Å |
| 965 | S | 94.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.1 | -28.3 | 175.7 | 178.9 | 0 | 0 | 0 | 0 | 112.7 | L961 T962 S963 K1047 L1048 N1051 | L961-S965 WeakPolarHBondContact O-CB 3.43Å; L961-S965 PolarHBondContact O-N 2.96Å; T962-S965 WeakPolarHBondContact O-CB 3.37Å; T962-S965 PolarHBondContact O-N 3.36Å; S963-S965 VanDerWaalsContact C-N 3.26Å; S963-S965 PolarHBondContact O-N 3.24Å; S965-K1047 PolarHBondContact OG-O 3.34Å; S965-L1048 PolarHBondContact OG-N 3.28Å; S965-N1051 WeakPolarHBondContact O-CB 3.11Å; S965-N1051 PolarHBondContact O-ND2 3.09Å; S965-N1051 PolarHBondContact OG-ND2 2.94Å |
| 966 | H | 94.5 | Very high | 91.4 | Very high | 16 Ų | 16 | 22.2 Ų | 22.2 | 7% | 0.074 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -93.2 | -27.4 | 175.8 | -87.1 | -68.6 | 0 | 0 | 0 | 114.2 | K880 I883 T962 S963 L964 L969 L970 | K880-H966 WeakPolarHBondContact CG-NE2 3.29Å; I883-H966 HydrophobicContact CB-CB 3.98Å; I883-H966 HydrophobicContact CG1-CB 4.42Å; I883-H966 HydrophobicContact CG2-CB 3.72Å; T962-H966 PolarHBondContact O-CD2 3.25Å; T962-H966 PolarHBondContact O-N 3.4Å; S963-H966 CarbonylContact O-C 3.53Å; S963-H966 WeakPolarHBondContact O-CA 3.27Å; S963-H966 PolarHBondContact O-N 3.13Å; L964-H966 PolarHBondContact O-N 2.98Å; H966-L969 PolarHBondContact O-N 3.13Å; H966-L970 WeakPolarHBondContact O-CB 3.4Å; H966-L970 WeakPolarHBondContact O-CG 3.25Å; H966-L970 PolarHBondContact O-N 3.34Å |
| 967 | I | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.6 | -49.6 | 170.5 | -66 | 169 | 0 | 0 | 0 | 109.4 | I883 I943 V944 S963 L964 L969 L970 F971 Y975 I979 | I883-I967 HydrophobicContact CD1-CD1 3.84Å; I883-I967 HydrophobicContact CD1-CG1 3.76Å; I883-I967 HydrophobicContact CG1-CG1 4.32Å; I883-I967 HydrophobicContact CG2-CG1 3.86Å; I943-I967 HydrophobicContact CG2-CD1 3.9Å; V944-I967 HydrophobicContact CG2-CD1 3.71Å; V944-I967 HydrophobicContact CG2-CG2 4.23Å; S963-I967 WeakPolarHBondContact O-CG1 3.35Å; S963-I967 PolarHBondContact O-N 2.92Å; L964-I967 PolarHBondContact O-N 3.15Å; I967-L969 PolarHBondContact O-N 2.84Å; I967-L970 PolarHBondContact O-N 2.85Å; I967-F971 HydrophobicContact CG2-CB 4.31Å; I967-F971 HydrophobicContact CG2-CD2 4.25Å; I967-F971 PolarHBondContact O-N 2.77Å; I967-Y975 HydrophobicContact CG2-CD2 3.42Å; I967-Y975 VanDerWaalsContact CG2-CD2 3.42Å; I967-Y975 HydrophobicContact CG2-CE2 4.07Å; I967-Y975 HydrophobicContact CG2-CG 4.04Å; I967-I979 HydrophobicContact CG2-CD1 4.14Å |
| 968 | A | 92.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.4 | -20.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | L964 I979 L1048 W1052 | L964-A968 VanDerWaalsContact O-CB 3.26Å; L964-A968 WeakPolarHBondContact O-CB 3.47Å; L964-A968 PolarHBondContact O-N 2.92Å; A968-I979 HydrophobicContact CB-CD1 3.86Å; A968-I979 HydrophobicContact CB-CG2 4.1Å; A968-L1048 HydrophobicContact CB-CD1 4.15Å; A968-W1052 HydrophobicContact CB-CB 3.78Å; A968-W1052 HydrophobicContact CB-CG 4.46Å |
| 969 | L | 92 | Very high | 91.9 | Very high | 34 Ų | 34 | 27.3 Ų | 27.3 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -91.5 | -22.5 | 179.4 | -173.9 | 60.9 | 0 | 0 | 0 | 113.5 | H966 I967 N1051 V1054 | H966-L969 PolarHBondContact O-N 3.13Å; I967-L969 PolarHBondContact O-N 2.84Å; L969-N1051 HydrophobicContact CB-CB 4.18Å; L969-V1054 HydrophobicContact CD1-CB 4.02Å; L969-V1054 HydrophobicContact CD1-CG1 3.71Å |
| 970 | L | 90.2 | Very high | 91.9 | Very high | 35 Ų | 35 | 31.1 Ų | 31.1 | 18% | 0.183 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -123.2 | -25.5 | -165.6 | -64.2 | 177 | 0 | 0 | 0 | 113.5 | I883 R884 F887 H966 I967 | I883-L970 HydrophobicContact CG2-CD1 4.36Å; R884-L970 HydrophobicContact CG-CD1 3.92Å; F887-L970 HydrophobicContact CB-CB 4.4Å; F887-L970 HydrophobicContact CB-CD1 3.98Å; F887-L970 HydrophobicContact CD1-CD1 4.28Å; F887-L970 HydrophobicContact CD1-CD2 4.11Å; F887-L970 HydrophobicContact CD2-CB 3.77Å; F887-L970 HydrophobicContact CE1-CD2 4.06Å; F887-L970 HydrophobicContact CE2-CB 4.12Å; F887-L970 WeakPolarHBondContact CE2-O 3.41Å; F887-L970 HydrophobicContact CG-CB 4Å; F887-L970 HydrophobicContact CG-CD1 4.08Å; F887-L970 HydrophobicContact CG-CD2 4.39Å; F887-L970 HydrophobicContact CG-CG 4.38Å; F887-L970 HydrophobicContact CZ-CD2 4.32Å; H966-L970 WeakPolarHBondContact O-CB 3.4Å; H966-L970 WeakPolarHBondContact O-CG 3.25Å; H966-L970 PolarHBondContact O-N 3.34Å; I967-L970 PolarHBondContact O-N 2.85Å |
| 971 | F | 90.4 | Very high | 91.8 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 8% | 0.079 | 18% | 0.176 | C | C | . | . | trans | -125.8 | 50.4 | 176 | -55.6 | -86.6 | 0 | 0 | 0 | 110.9 | F887 C890 L940 I967 D973 V974 Y975 | F887-F971 HydrophobicContact CB-CE2 3.98Å; F887-F971 HydrophobicContact CB-CZ 3.83Å; F887-F971 HydrophobicContact CD2-CD1 4.42Å; F887-F971 AromaticContact CD2-CE1 3.98Å; F887-F971 HydrophobicContact CD2-CE1 3.98Å; F887-F971 HydrophobicContact CD2-CE2 4.2Å; F887-F971 AromaticContact CD2-CZ 3.88Å; F887-F971 HydrophobicContact CD2-CZ 3.88Å; F887-F971 HydrophobicContact CG-CZ 4.37Å; C890-F971 HydrophobicContact CB-CE1 4.24Å; L940-F971 HydrophobicContact CD1-CE1 3.93Å; L940-F971 HydrophobicContact CD1-CE2 4.19Å; L940-F971 HydrophobicContact CD1-CZ 3.61Å; L940-F971 HydrophobicContact CD2-CE2 4.04Å; L940-F971 HydrophobicContact CD2-CZ 4.24Å; I967-F971 HydrophobicContact CG2-CB 4.31Å; I967-F971 HydrophobicContact CG2-CD2 4.25Å; I967-F971 PolarHBondContact O-N 2.77Å; F971-D973 VanDerWaalsContact C-N 3.27Å; F971-D973 PolarHBondContact O-N 3.4Å; F971-V974 PolarHBondContact O-N 3.09Å; F971-Y975 HydrophobicContact CB-CD2 3.85Å; F971-Y975 HydrophobicContact CB-CE2 4.13Å; F971-Y975 HydrophobicContact CG-CE2 4.47Å; F971-Y975 PolarHBondContact O-N 3.12Å | ||
| 972 | P | 86.2 | Confident | 91.7 | Very high | 15 Ų | 15 | 34.4 Ų | 34.4 | 10% | 0.097 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -38.4 | -173.8 | 27.4 | -35 | 0 | 0 | 0 | 111.9 | V974 N976 G1055 L1056 | P972-V974 VanDerWaalsContact C-N 3.27Å; P972-V974 PolarHBondContact O-N 3.39Å; P972-N976 VanDerWaalsContact O-CB 3.32Å; P972-N976 WeakPolarHBondContact O-CB 3.42Å; P972-N976 PolarHBondContact O-N 3.29Å; P972-G1055 WeakPolarHBondContact CG-O 3.32Å; P972-L1056 HydrophobicContact CB-CD2 4.24Å |
| 973 | D | 86.1 | Confident | 91.5 | Very high | 147 Ų | 147 | 34.6 Ų | 34.6 | 79% | 0.786 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -75.4 | -15.2 | -172.5 | -39.8 | -68.4 | 0 | 0 | 0 | 113.5 | F971 | F971-D973 VanDerWaalsContact C-N 3.27Å; F971-D973 PolarHBondContact O-N 3.4Å |
| 974 | V | 90.2 | Very high | 91 | Very high | 94 Ų | 94 | 38.1 Ų | 38.1 | 57% | 0.57 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -97.4 | -49.8 | -175.9 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | F971 P972 | F971-V974 PolarHBondContact O-N 3.09Å; P972-V974 VanDerWaalsContact C-N 3.27Å; P972-V974 PolarHBondContact O-N 3.39Å |
| 975 | Y | 92.6 | Very high | 90.5 | Very high | 13 Ų | 13 | 44.7 Ų | 44.7 | 5% | 0.051 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -108.7 | 17.1 | -169.6 | -57.3 | -71.3 | 0 | 0 | 0 | 113.7 | L940 N941 V944 I967 F971 E977 I979 | L940-Y975 WeakPolarHBondContact CB-OH 3.15Å; N941-Y975 WeakPolarHBondContact OD1-CE1 3.38Å; N941-Y975 PolarHBondContact OD1-OH 2.85Å; V944-Y975 HydrophobicContact CB-CD1 4.4Å; V944-Y975 HydrophobicContact CB-CE1 4.45Å; V944-Y975 HydrophobicContact CG1-CD1 4.2Å; V944-Y975 HydrophobicContact CG2-CD1 3.85Å; V944-Y975 HydrophobicContact CG2-CD2 4.39Å; V944-Y975 HydrophobicContact CG2-CE1 3.95Å; V944-Y975 HydrophobicContact CG2-CE2 4.48Å; V944-Y975 HydrophobicContact CG2-CG 4.08Å; I967-Y975 HydrophobicContact CG2-CD2 3.42Å; I967-Y975 VanDerWaalsContact CG2-CD2 3.42Å; I967-Y975 HydrophobicContact CG2-CE2 4.07Å; I967-Y975 HydrophobicContact CG2-CG 4.04Å; F971-Y975 HydrophobicContact CB-CD2 3.85Å; F971-Y975 HydrophobicContact CB-CE2 4.13Å; F971-Y975 HydrophobicContact CG-CE2 4.47Å; F971-Y975 PolarHBondContact O-N 3.12Å; Y975-E977 PolarHBondContact O-N 2.92Å; Y975-I979 WeakPolarHBondContact O-CB 3.31Å; Y975-I979 WeakPolarHBondContact O-CD1 3.49Å; Y975-I979 VanDerWaalsContact O-CG1 3.24Å; Y975-I979 WeakPolarHBondContact O-CG1 3.41Å; Y975-I979 PolarHBondContact O-N 2.94Å; Y975-I979 VanDerWaalsContact O-N 3.11Å |
| 976 | N | 90.1 | Very high | 90 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 20% | 0.198 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.9 | -49.9 | -176.5 | 177.2 | 55.8 | 0 | 0 | 0 | 112.4 | P972 I979 K980 W1052 L1056 | P972-N976 VanDerWaalsContact O-CB 3.32Å; P972-N976 WeakPolarHBondContact O-CB 3.42Å; P972-N976 PolarHBondContact O-N 3.29Å; N976-I979 PolarHBondContact O-N 3.12Å; N976-K980 WeakPolarHBondContact O-CB 3.44Å; N976-K980 PolarHBondContact O-N 3.18Å; N976-W1052 PolarHBondContact OD1-NE1 3.3Å; N976-L1056 HydrophobicContact CB-CD2 4.3Å |
| 977 | E | 89.8 | Confident | 89.7 | Confident | 93 Ų | 93 | 44.8 Ų | 44.8 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.4 | -38 | -173 | -69.1 | -58.3 | 127.1 | 0 | 0 | 112.1 | Y975 K980 N981 | Y975-E977 PolarHBondContact O-N 2.92Å; E977-K980 WeakPolarHBondContact OE1-CD 3.35Å; E977-K980 IonicContact OE1-NZ 3.48Å; E977-K980 PolarHBondContact OE1-NZ 3.18Å; E977-K980 IonicContact OE2-NZ 3.98Å; E977-K980 PolarHBondContact OE2-NZ 3.27Å; E977-N981 VanDerWaalsContact O-CB 3.28Å; E977-N981 WeakPolarHBondContact O-CB 3.26Å; E977-N981 PolarHBondContact O-N 3.08Å; E977-N981 PolarHBondContact O-ND2 3.2Å |
| 978 | D | 92 | Very high | 89.2 | Confident | 65 Ų | 65 | 47.2 Ų | 47.2 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.3 | -49.2 | 173.4 | -53.9 | -56.4 | 0 | 0 | 0 | 111 | V944 I948 N981 F982 | V944-D978 HydrophobicContact CG1-CB 4.41Å; I948-D978 HydrophobicContact CD1-CB 3.78Å; D978-N981 PolarHBondContact O-N 3.21Å; D978-F982 WeakPolarHBondContact O-CB 3.39Å; D978-F982 PolarHBondContact O-N 3.27Å |
| 979 | I | 91.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.4 | -37.8 | -176.4 | -67 | 170.2 | 0 | 0 | 0 | 111.1 | I967 A968 Y975 N976 F982 I983 L1048 W1052 | I967-I979 HydrophobicContact CG2-CD1 4.14Å; A968-I979 HydrophobicContact CB-CD1 3.86Å; A968-I979 HydrophobicContact CB-CG2 4.1Å; Y975-I979 WeakPolarHBondContact O-CB 3.31Å; Y975-I979 WeakPolarHBondContact O-CD1 3.49Å; Y975-I979 VanDerWaalsContact O-CG1 3.24Å; Y975-I979 WeakPolarHBondContact O-CG1 3.41Å; Y975-I979 PolarHBondContact O-N 2.94Å; Y975-I979 VanDerWaalsContact O-N 3.11Å; N976-I979 PolarHBondContact O-N 3.12Å; I979-F982 PolarHBondContact O-N 3.46Å; I979-I983 HydrophobicContact CG2-CD1 3.74Å; I979-I983 HydrophobicContact CG2-CG1 4.42Å; I979-I983 VanDerWaalsContact O-CB 3.31Å; I979-I983 WeakPolarHBondContact O-CB 3.36Å; I979-I983 WeakPolarHBondContact O-CD1 3.41Å; I979-I983 WeakPolarHBondContact O-CG1 3.5Å; I979-I983 PolarHBondContact O-N 2.91Å; I979-L1048 HydrophobicContact CG2-CD1 4.08Å; I979-W1052 HydrophobicContact CG2-CB 4.47Å; I979-W1052 HydrophobicContact CG2-CG 4.12Å |
| 980 | K | 90 | Very high | 88 | Confident | 80 Ų | 80 | 55.8 Ų | 55.8 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 173.5 | 173.9 | -174.4 | 163.4 | -151.7 | 0 | 111.7 | N976 E977 T984 W1052 | N976-K980 WeakPolarHBondContact O-CB 3.44Å; N976-K980 PolarHBondContact O-N 3.18Å; E977-K980 WeakPolarHBondContact OE1-CD 3.35Å; E977-K980 IonicContact OE1-NZ 3.48Å; E977-K980 PolarHBondContact OE1-NZ 3.18Å; E977-K980 IonicContact OE2-NZ 3.98Å; E977-K980 PolarHBondContact OE2-NZ 3.27Å; K980-T984 WeakPolarHBondContact O-CB 3.42Å; K980-T984 WeakPolarHBondContact O-CG2 3.31Å; K980-T984 PolarHBondContact O-N 2.97Å; K980-T984 PolarHBondContact O-OG1 2.84Å; K980-W1052 HydrophobicContact CB-CZ2 3.84Å; K980-W1052 HydrophobicContact CG-CZ2 4.07Å |
| 981 | N | 90.5 | Very high | 87.8 | Confident | 59 Ų | 59 | 54.1 Ų | 54.1 | 32% | 0.316 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 173.9 | -85.5 | -73.4 | 0 | 0 | 0 | 110.8 | E977 D978 I983 T984 K985 | E977-N981 VanDerWaalsContact O-CB 3.28Å; E977-N981 WeakPolarHBondContact O-CB 3.26Å; E977-N981 PolarHBondContact O-N 3.08Å; E977-N981 PolarHBondContact O-ND2 3.2Å; D978-N981 PolarHBondContact O-N 3.21Å; N981-I983 PolarHBondContact O-N 3.33Å; N981-T984 PolarHBondContact O-N 2.94Å; N981-T984 PolarHBondContact O-OG1 3.2Å; N981-K985 HydrophobicContact CB-CD 4.48Å; N981-K985 VanDerWaalsContact O-CB 3.28Å; N981-K985 WeakPolarHBondContact O-CB 3.43Å; N981-K985 PolarHBondContact O-N 2.88Å; N981-K985 VanDerWaalsContact OD1-CE 3.27Å; N981-K985 WeakPolarHBondContact OD1-CE 3.48Å; N981-K985 PolarHBondContact OD1-NZ 3.5Å |
| 982 | F | 92.3 | Very high | 87.5 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 5% | 0.053 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -59.5 | -45.6 | 176.8 | 176.1 | -106.8 | 0 | 0 | 0 | 112.4 | I948 Y957 L961 L964 D978 I979 T984 S986 L987 L1048 | I948-F982 HydrophobicContact CB-CD2 4.35Å; I948-F982 HydrophobicContact CD1-CB 4.41Å; I948-F982 HydrophobicContact CG1-CB 4.26Å; I948-F982 HydrophobicContact CG1-CD2 4.28Å; I948-F982 HydrophobicContact CG1-CG 4.21Å; I948-F982 HydrophobicContact CG2-CD2 3.98Å; Y957-F982 HydrophobicContact CE2-CZ 4.46Å; L961-F982 HydrophobicContact CD2-CE1 3.67Å; L961-F982 HydrophobicContact CD2-CZ 3.76Å; L964-F982 HydrophobicContact CD1-CD1 4.11Å; L964-F982 HydrophobicContact CD1-CE1 3.82Å; L964-F982 HydrophobicContact CD1-CZ 4.24Å; D978-F982 WeakPolarHBondContact O-CB 3.39Å; D978-F982 PolarHBondContact O-N 3.27Å; I979-F982 PolarHBondContact O-N 3.46Å; F982-T984 PolarHBondContact O-N 2.95Å; F982-S986 WeakPolarHBondContact O-CA 3.21Å; F982-S986 WeakPolarHBondContact O-CB 3.46Å; F982-S986 PolarHBondContact O-N 3.19Å; F982-L987 HydrophobicContact CE1-CB 4.33Å; F982-L987 HydrophobicContact CE1-CD1 3.93Å; F982-L987 HydrophobicContact CZ-CD1 4.18Å; F982-L987 PolarHBondContact O-N 3.33Å; F982-L1048 HydrophobicContact CD1-CD2 4.05Å; F982-L1048 HydrophobicContact CE1-CD2 3.72Å |
| 983 | I | 89.7 | Confident | 87.2 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -60.5 | -46.7 | 178.2 | -75.3 | 167.5 | 0 | 0 | 0 | 111.2 | I979 N981 L987 V988 L1048 I1049 W1052 | I979-I983 HydrophobicContact CG2-CD1 3.74Å; I979-I983 HydrophobicContact CG2-CG1 4.42Å; I979-I983 VanDerWaalsContact O-CB 3.31Å; I979-I983 WeakPolarHBondContact O-CB 3.36Å; I979-I983 WeakPolarHBondContact O-CD1 3.41Å; I979-I983 WeakPolarHBondContact O-CG1 3.5Å; I979-I983 PolarHBondContact O-N 2.91Å; N981-I983 PolarHBondContact O-N 3.33Å; I983-L987 HydrophobicContact CG1-CD2 3.93Å; I983-V988 HydrophobicContact CG2-CG2 4.37Å; I983-V988 WeakPolarHBondContact O-CG2 3.43Å; I983-V988 PolarHBondContact O-N 3.17Å; I983-V988 VanDerWaalsContact O-N 3.07Å; I983-L1048 HydrophobicContact CD1-CD1 4.45Å; I983-L1048 HydrophobicContact CD1-CG 4.3Å; I983-L1048 HydrophobicContact CG1-CG 4.37Å; I983-I1049 HydrophobicContact CD1-CG1 4.2Å; I983-I1049 HydrophobicContact CG1-CG1 4.22Å; I983-I1049 HydrophobicContact CG2-CD1 4.38Å; I983-I1049 HydrophobicContact CG2-CG1 3.99Å; I983-W1052 HydrophobicContact CD1-CB 4.18Å; I983-W1052 HydrophobicContact CD1-CD2 3.72Å; I983-W1052 HydrophobicContact CD1-CE3 3.67Å; I983-W1052 HydrophobicContact CD1-CG 3.98Å; I983-W1052 HydrophobicContact CD1-CZ3 4.3Å |
| 984 | T | 86 | Confident | 86.8 | Confident | 74 Ų | 74 | 50.7 Ų | 50.7 | 45% | 0.454 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -80.9 | -39.3 | -172.3 | 51.7 | 0 | 0 | 0 | 0 | 114 | K980 N981 F982 Q989 | K980-T984 WeakPolarHBondContact O-CB 3.42Å; K980-T984 WeakPolarHBondContact O-CG2 3.31Å; K980-T984 PolarHBondContact O-N 2.97Å; K980-T984 PolarHBondContact O-OG1 2.84Å; N981-T984 PolarHBondContact O-N 2.94Å; N981-T984 PolarHBondContact O-OG1 3.2Å; F982-T984 PolarHBondContact O-N 2.95Å; T984-Q989 PolarHBondContact O-NE2 3.16Å |
| 985 | K | 85 | Confident | 85.7 | Confident | 137 Ų | 137 | 47.7 Ų | 47.7 | 60% | 0.596 | 24% | 0.241 | S | C | * | . | I | π-helix | trans | -89.8 | -33.9 | -175.6 | -64 | 173 | 173.4 | 168 | 0 | 113.5 | N981 | N981-K985 HydrophobicContact CB-CD 4.48Å; N981-K985 VanDerWaalsContact O-CB 3.28Å; N981-K985 WeakPolarHBondContact O-CB 3.43Å; N981-K985 PolarHBondContact O-N 2.88Å; N981-K985 VanDerWaalsContact OD1-CE 3.27Å; N981-K985 WeakPolarHBondContact OD1-CE 3.48Å; N981-K985 PolarHBondContact OD1-NZ 3.5Å |
| 986 | S | 84.6 | Confident | 84.4 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -109.2 | -69.2 | 179.1 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | F982 V988 Q989 Q990 | F982-S986 WeakPolarHBondContact O-CA 3.21Å; F982-S986 WeakPolarHBondContact O-CB 3.46Å; F982-S986 PolarHBondContact O-N 3.19Å; S986-V988 PolarHBondContact O-N 2.67Å; S986-V988 VanDerWaalsContact O-N 3.16Å; S986-Q989 PolarHBondContact O-N 2.94Å; S986-Q990 VanDerWaalsContact CB-OE1 3.31Å; S986-Q990 VanDerWaalsContact O-CB 3.3Å; S986-Q990 WeakPolarHBondContact O-CB 3.37Å; S986-Q990 PolarHBondContact O-N 3.33Å; S986-Q990 PolarHBondContact OG-OE1 3.04Å |
| 987 | L | 87.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -56.4 | -43.9 | -161 | -164.5 | 71.2 | 0 | 0 | 0 | 114.7 | L961 F982 I983 V991 L992 A1045 L1048 I1049 | L961-L987 HydrophobicContact CD1-CD1 4.29Å; L961-L987 HydrophobicContact CD2-CD1 3.51Å; F982-L987 HydrophobicContact CE1-CB 4.33Å; F982-L987 HydrophobicContact CE1-CD1 3.93Å; F982-L987 HydrophobicContact CZ-CD1 4.18Å; F982-L987 PolarHBondContact O-N 3.33Å; I983-L987 HydrophobicContact CG1-CD2 3.93Å; L987-V991 HydrophobicContact CD1-CB 4.39Å; L987-V991 HydrophobicContact CD1-CG2 4.14Å; L987-V991 WeakPolarHBondContact O-CB 3.37Å; L987-V991 PolarHBondContact O-N 3.04Å; L987-L992 PolarHBondContact O-N 2.85Å; L987-A1045 HydrophobicContact CD1-CB 3.62Å; L987-A1045 HydrophobicContact CD2-CB 3.9Å; L987-A1045 HydrophobicContact CG-CB 3.75Å; L987-L1048 HydrophobicContact CD2-CB 4.49Å; L987-L1048 HydrophobicContact CD2-CD2 3.73Å; L987-L1048 HydrophobicContact CD2-CG 4.13Å; L987-I1049 HydrophobicContact CD2-CD1 4.1Å; L987-I1049 HydrophobicContact CD2-CG1 3.92Å |
| 988 | V | 84.5 | Confident | 81.3 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 30% | 0.303 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -67.8 | -46.8 | 178.8 | 171.1 | 0 | 0 | 0 | 0 | 111 | I983 S986 L992 T993 I1049 | I983-V988 HydrophobicContact CG2-CG2 4.37Å; I983-V988 WeakPolarHBondContact O-CG2 3.43Å; I983-V988 PolarHBondContact O-N 3.17Å; I983-V988 VanDerWaalsContact O-N 3.07Å; S986-V988 PolarHBondContact O-N 2.67Å; S986-V988 VanDerWaalsContact O-N 3.16Å; V988-L992 HydrophobicContact CG2-CD1 4.35Å; V988-L992 PolarHBondContact O-N 2.89Å; V988-T993 PolarHBondContact O-N 3.16Å; V988-T993 PolarHBondContact O-OG1 3.25Å; V988-T993 VanDerWaalsContact O-OG1 3.06Å; V988-I1049 HydrophobicContact CG2-CD1 4.5Å |
| 989 | Q | 80.6 | Confident | 79.6 | Confident | 122 Ų | 122 | 47.3 Ų | 47.3 | 57% | 0.57 | 25% | 0.245 | S | C | * | . | I | π-helix | trans | -78.6 | -35.9 | -172.9 | -55.8 | -174.5 | 15 | 0 | 0 | 113.4 | T984 S986 T993 | T984-Q989 PolarHBondContact O-NE2 3.16Å; S986-Q989 PolarHBondContact O-N 2.94Å; Q989-T993 WeakPolarHBondContact CA-OG1 3.25Å; Q989-T993 PolarHBondContact O-OG1 3.45Å |
| 990 | Q | 79.2 | Confident | 77.6 | Confident | 93 Ų | 93 | 54.6 Ų | 54.6 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -107.2 | -5.3 | -168.9 | -59.9 | 176.8 | -20.9 | 0 | 0 | 113.8 | S986 I994 | S986-Q990 VanDerWaalsContact CB-OE1 3.31Å; S986-Q990 VanDerWaalsContact O-CB 3.3Å; S986-Q990 WeakPolarHBondContact O-CB 3.37Å; S986-Q990 PolarHBondContact O-N 3.33Å; S986-Q990 PolarHBondContact OG-OE1 3.04Å; Q990-I994 HydrophobicContact CB-CD1 4.48Å; Q990-I994 WeakPolarHBondContact O-CD1 3.38Å |
| 991 | V | 85.2 | Confident | 75.3 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -130.1 | -44.5 | 176.9 | -174.1 | 0 | 0 | 0 | 0 | 112.4 | T952 Y957 L987 A1041 K1042 A1045 | T952-V991 HydrophobicContact CG2-CG2 3.87Å; Y957-V991 HydrophobicContact CE1-CG2 3.9Å; Y957-V991 WeakPolarHBondContact OH-CG2 3.37Å; L987-V991 HydrophobicContact CD1-CB 4.39Å; L987-V991 HydrophobicContact CD1-CG2 4.14Å; L987-V991 WeakPolarHBondContact O-CB 3.37Å; L987-V991 PolarHBondContact O-N 3.04Å; V991-A1041 HydrophobicContact CG1-CB 3.76Å; V991-K1042 HydrophobicContact CG1-CG 4.21Å; V991-K1042 WeakPolarHBondContact O-CE 3.37Å; V991-K1042 VanDerWaalsContact O-CG 3.24Å; V991-K1042 WeakPolarHBondContact O-CG 3.37Å; V991-A1045 HydrophobicContact CG1-CB 4.32Å |
| 992 | L | 84.1 | Confident | 73.1 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -78.4 | -40.8 | -176.1 | -61 | -176.7 | 0 | 0 | 0 | 112.9 | L987 V988 K1042 A1045 I1046 I1049 L1070 L1081 | L987-L992 PolarHBondContact O-N 2.85Å; V988-L992 HydrophobicContact CG2-CD1 4.35Å; V988-L992 PolarHBondContact O-N 2.89Å; L992-K1042 HydrophobicContact CD2-CB 4.31Å; L992-K1042 HydrophobicContact CD2-CG 4.24Å; L992-K1042 WeakPolarHBondContact O-CE 3.12Å; L992-K1042 PolarHBondContact O-NZ 3.36Å; L992-A1045 HydrophobicContact CD2-CB 3.83Å; L992-A1045 HydrophobicContact CG-CB 4.48Å; L992-I1046 HydrophobicContact CD2-CG1 4.1Å; L992-I1049 HydrophobicContact CD1-CD1 3.94Å; L992-L1070 HydrophobicContact CD1-CD2 4Å; L992-L1081 HydrophobicContact CB-CD2 4.38Å |
| 993 | T | 80.9 | Confident | 70.7 | Confident | 69 Ų | 69 | 62.1 Ų | 62.1 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -89.1 | -15.9 | -178.5 | 42 | 0 | 0 | 0 | 0 | 115.7 | V988 Q989 | V988-T993 PolarHBondContact O-N 3.16Å; V988-T993 PolarHBondContact O-OG1 3.25Å; V988-T993 VanDerWaalsContact O-OG1 3.06Å; Q989-T993 WeakPolarHBondContact CA-OG1 3.25Å; Q989-T993 PolarHBondContact O-OG1 3.45Å |
| 994 | I | 76 | Confident | 68.2 | Low | 33 Ų | 33 | 68 Ų | 68 | 17% | 0.169 | 34% | 0.337 | C | S | . | . | trans | -69 | 141.9 | 179.8 | -72.5 | -163.2 | 0 | 0 | 0 | 112 | Q990 D998 L999 K1042 | Q990-I994 HydrophobicContact CB-CD1 4.48Å; Q990-I994 WeakPolarHBondContact O-CD1 3.38Å; I994-D998 HydrophobicContact CG2-CB 4.13Å; I994-L999 HydrophobicContact CG2-CD2 4.33Å; I994-L999 HydrophobicContact CG2-CG 4.19Å; I994-K1042 WeakPolarHBondContact O-CE 3.14Å; I994-K1042 PolarHBondContact O-NZ 3.01Å | ||
| 995 | E | 68.6 | Low | 65.9 | Low | 32 Ų | 32 | 71.8 Ų | 71.8 | 15% | 0.15 | 35% | 0.35 | C | S | . | . | trans | -95.9 | 162.7 | 179 | -53.1 | -133.7 | 118.4 | 0 | 0 | 112.5 | D997 D998 T1082 S1084 K1086 | E995-D997 VanDerWaalsContact C-N 3.28Å; E995-D997 PolarHBondContact O-N 3.12Å; E995-D998 WeakPolarHBondContact CB-OD2 3.48Å; E995-D998 PolarHBondContact N-OD2 3.49Å; E995-D998 PolarHBondContact O-N 2.81Å; E995-T1082 VanDerWaalsContact OE1-CB 3.29Å; E995-T1082 WeakPolarHBondContact OE1-CB 3.45Å; E995-T1082 PolarHBondContact OE1-OG1 3.46Å; E995-S1084 VanDerWaalsContact CD-OG 3.31Å; E995-S1084 WeakPolarHBondContact OE1-CB 3.27Å; E995-S1084 PolarHBondContact OE1-OG 2.97Å; E995-S1084 PolarHBondContact OE2-OG 3.41Å; E995-K1086 HydrophobicContact CB-CD 4.44Å; E995-K1086 WeakPolarHBondContact OE2-CD 3.47Å; E995-K1086 WeakPolarHBondContact OE2-CE 3.41Å; E995-K1086 IonicContact OE2-NZ 2.76Å; E995-K1086 PolarHBondContact OE2-NZ 2.92Å | ||
| 996 | P | 64.3 | Low | 63.5 | Low | 49 Ų | 49 | 74.1 Ų | 74.1 | 32% | 0.318 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.8 | -29.7 | 178.7 | -24.8 | 35.9 | 0 | 0 | 0 | 114.8 | K1086 | P996-K1086 HydrophobicContact CG-CB 4.1Å |
| 997 | D | 58.1 | Low | 61 | Low | 59 Ų | 59 | 79.4 Ų | 79.4 | 32% | 0.316 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -82.4 | -27 | -176.4 | -57.6 | -51 | 0 | 0 | 0 | 113.3 | E995 L999 R1000 N1001 K1086 | E995-D997 VanDerWaalsContact C-N 3.28Å; E995-D997 PolarHBondContact O-N 3.12Å; D997-L999 PolarHBondContact O-N 2.62Å; D997-R1000 WeakPolarHBondContact O-CB 3.19Å; D997-R1000 PolarHBondContact O-N 3.42Å; D997-N1001 PolarHBondContact O-N 2.76Å; D997-K1086 VanDerWaalsContact OD2-CD 3.23Å; D997-K1086 WeakPolarHBondContact OD2-CD 3.37Å; D997-K1086 WeakPolarHBondContact OD2-CE 3.22Å; D997-K1086 IonicContact OD2-NZ 3.52Å; D997-K1086 PolarHBondContact OD2-NZ 2.99Å |
| 998 | D | 57.8 | Low | 58.4 | Low | 68 Ų | 68 | 87.6 Ų | 87.6 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.1 | -34.3 | 179.7 | -56 | -34.2 | 0 | 0 | 0 | 111.1 | I994 E995 Q1002 | I994-D998 HydrophobicContact CG2-CB 4.13Å; E995-D998 WeakPolarHBondContact CB-OD2 3.48Å; E995-D998 PolarHBondContact N-OD2 3.49Å; E995-D998 PolarHBondContact O-N 2.81Å; D998-Q1002 PolarHBondContact O-N 2.64Å |
| 999 | L | 55.4 | Low | 55.8 | Low | 24 Ų | 24 | 93.3 Ų | 93.3 | 13% | 0.126 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -72.6 | -35.8 | 176.4 | -61.3 | 175.5 | 0 | 0 | 0 | 112.2 | L953 I994 D997 N1001 Q1002 E1003 L1038 | L953-L999 HydrophobicContact CD1-CD2 4.43Å; L953-L999 HydrophobicContact CD2-CD1 4.22Å; L953-L999 HydrophobicContact CD2-CD2 4.18Å; L953-L999 HydrophobicContact CG-CD2 4.34Å; I994-L999 HydrophobicContact CG2-CD2 4.33Å; I994-L999 HydrophobicContact CG2-CG 4.19Å; D997-L999 PolarHBondContact O-N 2.62Å; L999-N1001 VanDerWaalsContact C-N 3.27Å; L999-N1001 PolarHBondContact O-N 3.27Å; L999-Q1002 WeakPolarHBondContact O-CB 3.49Å; L999-Q1002 PolarHBondContact O-N 3.33Å; L999-Q1002 VanDerWaalsContact O-N 3.08Å; L999-E1003 PolarHBondContact O-N 2.86Å; L999-L1038 HydrophobicContact CD1-CB 4.32Å; L999-L1038 HydrophobicContact CD1-CD1 4.43Å; L999-L1038 HydrophobicContact CD1-CD2 4.11Å |
| 1000 | R | 49.1 | Very low | 53.3 | Low | 155 Ų | 155 | 94.1 Ų | 94.1 | 59% | 0.585 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64 | -33.5 | 175.2 | -81.7 | 177.9 | 156.2 | 177.1 | -6.8 | 112.5 | D997 Q1002 E1003 Q1004 | D997-R1000 WeakPolarHBondContact O-CB 3.19Å; D997-R1000 PolarHBondContact O-N 3.42Å; R1000-Q1002 VanDerWaalsContact C-N 3.31Å; R1000-E1003 PolarHBondContact O-N 2.8Å; R1000-Q1004 WeakPolarHBondContact O-CG 3.34Å; R1000-Q1004 PolarHBondContact O-N 2.89Å |
| 1001 | N | 42.2 | Very low | 51 | Low | 97 Ų | 97 | 95.4 Ų | 95.4 | 52% | 0.519 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.8 | -35 | 173.8 | -65.9 | -26.3 | 0 | 0 | 0 | 111.3 | D997 L999 Q1004 E1005 | D997-N1001 PolarHBondContact O-N 2.76Å; L999-N1001 VanDerWaalsContact C-N 3.27Å; L999-N1001 PolarHBondContact O-N 3.27Å; N1001-Q1004 PolarHBondContact O-N 3.37Å; N1001-E1005 PolarHBondContact O-N 2.81Å |
| 1002 | Q | 44.4 | Very low | 48.2 | Very low | 106 Ų | 106 | 103.3 Ų | 103.3 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.1 | -30.7 | 174.8 | -65.7 | -178.8 | -1.2 | 0 | 0 | 113.3 | D998 L999 R1000 | D998-Q1002 PolarHBondContact O-N 2.64Å; L999-Q1002 WeakPolarHBondContact O-CB 3.49Å; L999-Q1002 PolarHBondContact O-N 3.33Å; L999-Q1002 VanDerWaalsContact O-N 3.08Å; R1000-Q1002 VanDerWaalsContact C-N 3.31Å |
| 1003 | E | 41.8 | Very low | 45.5 | Very low | 106 Ų | 106 | 107.7 Ų | 107.7 | 50% | 0.495 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 170.2 | -68.8 | 171.6 | 158.9 | 0 | 0 | 110.9 | L999 R1000 E1005 K1006 | L999-E1003 PolarHBondContact O-N 2.86Å; R1000-E1003 PolarHBondContact O-N 2.8Å; E1003-E1005 VanDerWaalsContact C-N 3.28Å; E1003-E1005 PolarHBondContact O-N 3.24Å; E1003-K1006 PolarHBondContact O-N 3.22Å |
| 1004 | Q | 37.9 | Very low | 42.9 | Very low | 128 Ų | 128 | 113 Ų | 113 | 60% | 0.598 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.6 | -15.7 | -176.9 | -74.2 | -177.1 | 18.3 | 0 | 0 | 115.6 | R1000 N1001 | R1000-Q1004 WeakPolarHBondContact O-CG 3.34Å; R1000-Q1004 PolarHBondContact O-N 2.89Å; N1001-Q1004 PolarHBondContact O-N 3.37Å |
| 1005 | E | 37.3 | Very low | 40.6 | Very low | 154 Ų | 154 | 118.4 Ų | 118.4 | 72% | 0.72 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -16.7 | 173.5 | -70.9 | -156.6 | 125.5 | 0 | 0 | 114 | N1001 E1003 | N1001-E1005 PolarHBondContact O-N 2.81Å; E1003-E1005 VanDerWaalsContact C-N 3.28Å; E1003-E1005 PolarHBondContact O-N 3.24Å |
| 1006 | K | 35 | Very low | 38.5 | Very low | 185 Ų | 185 | 122.1 Ų | 122.1 | 80% | 0.804 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -31.4 | 175.8 | -73.8 | -176.4 | 176.1 | 178.9 | 0 | 113.8 | E1003 K1008 | E1003-K1006 PolarHBondContact O-N 3.22Å; K1006-K1008 PolarHBondContact O-N 3.21Å |
| 1007 | D | 31.7 | Very low | 36.7 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 70% | 0.701 | 64% | 0.643 | S | S | * | * | trans | -90.1 | 10.6 | -174.7 | -77 | -22.4 | 0 | 0 | 0 | 115.5 | M1009 Q1010 | D1007-M1009 PolarHBondContact O-N 2.74Å; D1007-Q1010 PolarHBondContact O-N 3.14Å | ||
| 1008 | K | 32.2 | Very low | 35.1 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 3.9 | 172.7 | -85 | 176.2 | -178.5 | 167.1 | 0 | 115.1 | K1006 | K1006-K1008 PolarHBondContact O-N 3.21Š|
| 1009 | M | 30.3 | Very low | 33.8 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 84% | 0.842 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | 41.9 | 173.9 | -76.9 | -167.9 | 69.1 | 0 | 0 | 115 | D1007 | D1007-M1009 PolarHBondContact O-N 2.74Š|
| 1010 | Q | 28.8 | Very low | 32.4 | Very low | 139 Ų | 139 | 143 Ų | 143 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -156.7 | 119.9 | 147.7 | -119.1 | 164.6 | 96.3 | 0 | 0 | 117.5 | D1007 | D1007-Q1010 PolarHBondContact O-N 3.14Š|
| 1011 | I | 30.1 | Very low | 31.3 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 61% | 0.61 | 73% | 0.729 | S | S | * | * | trans | 65.2 | 103.2 | 152 | -60 | 157.2 | 0 | 0 | 0 | 117.3 | S1013 | I1011-S1013 PolarHBondContact O-N 3.23Š| ||
| 1012 | N | 27.2 | Very low | 30.5 | Very low | 167 Ų | 167 | 147 Ų | 147 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | -63.8 | 116.2 | 150.1 | -76.2 | -39.7 | 0 | 0 | 0 | 110.3 | ||||
| 1013 | S | 26.9 | Very low | 29.9 | Very low | 97 Ų | 97 | 147.6 Ų | 147.6 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | 174.5 | 152.3 | 134.3 | 44.7 | 0 | 0 | 0 | 0 | 113.3 | I1011 | I1011-S1013 PolarHBondContact O-N 3.23Š| ||
| 1014 | M | 25.6 | Very low | 29.5 | Very low | 180 Ų | 180 | 150.6 Ų | 150.6 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | 57.3 | 80.8 | 161.9 | -66.1 | 176.5 | 172 | 0 | 0 | 117.9 | ||||
| 1015 | T | 27.6 | Very low | 29.5 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | -164 | 120.4 | 106.6 | 14.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 1016 | S | 25.9 | Very low | 30.2 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -135.4 | 141.6 | 162.7 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1017 | K | 25.4 | Very low | 31.7 | Very low | 185 Ų | 185 | 143.4 Ų | 143.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 76.7 | 149.3 | -172.9 | -50.9 | 172.3 | -177.8 | 177.3 | 0 | 115.1 | ||
| 1018 | N | 24.8 | Very low | 34.1 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | 76.6 | 50.3 | 167.7 | -55.8 | -1 | 0 | 0 | 0 | 119.1 | ||||
| 1019 | F | 30.8 | Very low | 36.7 | Very low | 216 Ų | 216 | 133 Ų | 133 | 95% | 0.947 | 73% | 0.731 | S | S | * | * | trans | -138.5 | 9.2 | 148.1 | -112.5 | -72 | 0 | 0 | 0 | 115.7 | ||||
| 1020 | S | 25.3 | Very low | 39.3 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -77.9 | 147.6 | 156.2 | 52.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1021 | N | 25.9 | Very low | 41.6 | Very low | 150 Ų | 150 | 121.8 Ų | 121.8 | 80% | 0.802 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 78.4 | 54.5 | 174.4 | -52.8 | -14.5 | 0 | 0 | 0 | 117.5 | ||
| 1022 | Q | 26.5 | Very low | 43.7 | Very low | 185 Ų | 185 | 116.5 Ų | 116.5 | 86% | 0.864 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -155.2 | 144.4 | 139 | -112.2 | 150.7 | 72 | 0 | 0 | 112.2 | ||
| 1023 | S | 30.7 | Very low | 45.9 | Very low | 119 Ų | 119 | 110.1 Ų | 110.1 | 83% | 0.832 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 45.7 | 64.4 | 169.9 | 63 | 0 | 0 | 0 | 0 | 118.4 | ||
| 1024 | N | 34.4 | Very low | 48.2 | Very low | 168 Ų | 168 | 111.2 Ų | 111.2 | 90% | 0.898 | 62% | 0.622 | S | S | * | * | trans | -123.6 | 38.1 | 161.2 | -140.3 | 1.9 | 0 | 0 | 0 | 112.4 | L1026 | N1024-L1026 PolarHBondContact O-N 3.01Š| ||
| 1025 | A | 36.6 | Very low | 51 | Low | 89 Ų | 89 | 102.8 Ų | 102.8 | 74% | 0.736 | 58% | 0.581 | S | S | * | * | trans | -82.5 | 90.8 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1027 | A1025-S1027 VanDerWaalsContact C-N 3.31Å; A1025-S1027 PolarHBondContact O-N 3.47Å | ||
| 1026 | L | 53.1 | Low | 53.7 | Low | 148 Ų | 148 | 98.1 Ų | 98.1 | 78% | 0.775 | 55% | 0.554 | S | S | * | * | trans | 55.8 | 25.4 | 145.1 | -64.9 | 162.6 | 0 | 0 | 0 | 118.1 | N1024 S1028 | N1024-L1026 PolarHBondContact O-N 3.01Å; L1026-S1028 PolarHBondContact O-N 2.73Å; L1026-S1028 VanDerWaalsContact O-N 3.09Å | ||
| 1027 | S | 65.8 | Low | 56.4 | Low | 80 Ų | 80 | 96.2 Ų | 96.2 | 56% | 0.559 | 54% | 0.535 | S | S | * | . | trans | -67 | 111.9 | 173.6 | -170.1 | 0 | 0 | 0 | 0 | 110.8 | A1025 W1029 | A1025-S1027 VanDerWaalsContact C-N 3.31Å; A1025-S1027 PolarHBondContact O-N 3.47Å; S1027-W1029 PolarHBondContact O-N 2.83Å; S1027-W1029 VanDerWaalsContact O-N 3.12Å; S1027-W1029 PolarHBondContact OG-O 3.36Å | ||
| 1028 | S | 82.3 | Confident | 59.3 | Low | 43 Ų | 43 | 88.6 Ų | 88.6 | 30% | 0.301 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -68.4 | -5.6 | 177.6 | 63.4 | 0 | 0 | 0 | 0 | 114 | L1026 S1093 C1132 | L1026-S1028 PolarHBondContact O-N 2.73Å; L1026-S1028 VanDerWaalsContact O-N 3.09Å; S1028-S1093 VanDerWaalsContact O-CB 3.23Å; S1028-S1093 WeakPolarHBondContact O-CB 3.31Å; S1028-S1093 PolarHBondContact O-OG 3.29Å; S1028-C1132 PolarHBondContact O-SG 3.3Å |
| 1029 | W | 87.9 | Confident | 62.4 | Low | 41 Ų | 41 | 81.8 Ų | 81.8 | 16% | 0.155 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -136.4 | 128.5 | 177.2 | -173.8 | -107.5 | 0 | 0 | 0 | 110.5 | S1027 P1031 R1094 L1097 Q1134 V1135 | S1027-W1029 PolarHBondContact O-N 2.83Å; S1027-W1029 VanDerWaalsContact O-N 3.12Å; S1027-W1029 PolarHBondContact OG-O 3.36Å; W1029-P1031 WeakPolarHBondContact O-CD 3.32Å; W1029-R1094 HydrophobicContact CE3-CG 4.17Å; W1029-R1094 HydrophobicContact CH2-CG 3.7Å; W1029-R1094 HydrophobicContact CZ2-CG 4.26Å; W1029-R1094 HydrophobicContact CZ3-CG 3.64Å; W1029-L1097 HydrophobicContact CH2-CD2 3.77Å; W1029-L1097 HydrophobicContact CZ3-CD2 4.16Å; W1029-Q1134 HydrophobicContact CB-CG 4.41Å; W1029-Q1134 HydrophobicContact CD2-CB 3.61Å; W1029-Q1134 HydrophobicContact CD2-CG 3.91Å; W1029-Q1134 HydrophobicContact CE3-CB 3.74Å; W1029-Q1134 HydrophobicContact CG-CB 4.06Å; W1029-Q1134 HydrophobicContact CG-CG 3.85Å; W1029-Q1134 HydrophobicContact CH2-CB 4.25Å; W1029-Q1134 HydrophobicContact CZ2-CB 4.15Å; W1029-Q1134 HydrophobicContact CZ3-CB 4.06Å; W1029-V1135 HydrophobicContact CE3-CG2 4.4Å; W1029-V1135 HydrophobicContact CZ3-CG2 4.05Å |
| 1030 | S | 83.2 | Confident | 65.1 | Low | 13 Ų | 13 | 73 Ų | 73 | 9% | 0.091 | 43% | 0.427 | C | S | . | . | trans | -86.2 | 125.6 | 171.3 | -62.2 | 0 | 0 | 0 | 0 | 109 | G1090 R1094 | S1030-G1090 VanDerWaalsContact N-CA 3.27Å; S1030-G1090 PolarHBondContact N-O 2.66Å; S1030-G1090 VanDerWaalsContact OG-C 3.25Å; S1030-G1090 VanDerWaalsContact OG-CA 3.25Å; S1030-G1090 WeakPolarHBondContact OG-CA 3.45Å; S1030-R1094 VanDerWaalsContact O-CZ 3.23Å; S1030-R1094 PolarHBondContact O-NE 3.44Å; S1030-R1094 PolarHBondContact O-NH2 2.69Å | ||
| 1031 | P | 77.2 | Confident | 68.2 | Low | 62 Ų | 62 | 68.6 Ų | 68.6 | 40% | 0.403 | 40% | 0.397 | S | S | . | . | trans | -54.3 | 149.9 | 159.9 | -23.1 | 34.1 | 0 | 0 | 0 | 110.6 | W1029 S1033 L1034 | W1029-P1031 WeakPolarHBondContact O-CD 3.32Å; P1031-S1033 PolarHBondContact O-N 2.97Å; P1031-L1034 PolarHBondContact O-N 3.25Å | ||
| 1032 | D | 75.8 | Confident | 71.3 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -60.2 | -24.6 | -168.4 | -73.7 | 67.3 | 0 | 0 | 0 | 115.4 | S869 W872 R873 R1040 R1094 | S869-D1032 WeakPolarHBondContact O-CB 3.42Å; W872-D1032 WeakPolarHBondContact CZ2-OD2 3.47Å; W872-D1032 PolarHBondContact NE1-OD2 3.24Å; R873-D1032 IonicContact CZ-OD1 2.74Å; R873-D1032 IonicContact CZ-OD2 3.98Å; R873-D1032 VanDerWaalsContact NE-CG 3.29Å; R873-D1032 IonicContact NE-OD1 3.37Å; R873-D1032 PolarHBondContact NE-OD1 3.13Å; R873-D1032 IonicContact NE-OD2 3.43Å; R873-D1032 PolarHBondContact NE-OD2 2.84Å; R873-D1032 IonicContact NH2-OD1 2.85Å; R873-D1032 PolarHBondContact NH2-OD1 2.86Å; R873-D1032 IonicContact NH2-OD2 2.94Å; D1032-R1040 PolarHBondContact O-NH2 3.09Å; D1032-R1094 VanDerWaalsContact CG-NH2 3.31Å; D1032-R1094 IonicContact OD1-CZ 2.8Å; D1032-R1094 IonicContact OD1-NH1 3.63Å; D1032-R1094 PolarHBondContact OD1-NH1 3.01Å; D1032-R1094 IonicContact OD1-NH2 2.75Å; D1032-R1094 PolarHBondContact OD1-NH2 3.39Å; D1032-R1094 IonicContact OD2-CZ 3.16Å; D1032-R1094 IonicContact OD2-NH1 2.73Å; D1032-R1094 PolarHBondContact OD2-NH1 3Å; D1032-R1094 IonicContact OD2-NH2 3.19Å |
| 1033 | S | 71.6 | Confident | 74.4 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 24% | 0.238 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -72.7 | -27.8 | 174.3 | 38.8 | 0 | 0 | 0 | 0 | 113.7 | A865 P1031 V1035 | A865-S1033 WeakPolarHBondContact O-CB 3.49Å; A865-S1033 PolarHBondContact O-OG 2.84Å; A865-S1033 VanDerWaalsContact O-OG 3.05Å; P1031-S1033 PolarHBondContact O-N 2.97Å; S1033-V1035 VanDerWaalsContact C-N 3.33Å |
| 1034 | L | 76.6 | Confident | 77.3 | Confident | 120 Ų | 120 | 47.8 Ų | 47.8 | 63% | 0.628 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -93.2 | 10.9 | 178.2 | -55.7 | -176.4 | 0 | 0 | 0 | 112.7 | P1031 | P1031-L1034 PolarHBondContact O-N 3.25Š|
| 1035 | V | 83.6 | Confident | 80.2 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -91.5 | 122.4 | 171.3 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | S1033 T1039 R1040 E1091 | S1033-V1035 VanDerWaalsContact C-N 3.33Å; V1035-T1039 HydrophobicContact CG1-CG2 3.57Å; V1035-R1040 HydrophobicContact CB-CG 4.35Å; V1035-R1040 HydrophobicContact CG1-CG 3.89Å; V1035-R1040 VanDerWaalsContact O-CZ 3.24Å; V1035-R1040 PolarHBondContact O-NE 3.12Å; V1035-R1040 VanDerWaalsContact O-NE 3.09Å; V1035-R1040 PolarHBondContact O-NH2 2.8Å; V1035-E1091 HydrophobicContact CG1-CG 4.41Å |
| 1036 | S | 85.3 | Confident | 82.9 | Confident | 50 Ų | 50 | 35.9 Ų | 35.9 | 35% | 0.35 | 21% | 0.205 | S | C | . | . | trans | -61.6 | 154.7 | 179.8 | 64.7 | 0 | 0 | 0 | 0 | 112.6 | L1038 T1039 R1040 E1091 | S1036-L1038 PolarHBondContact O-N 2.73Å; S1036-T1039 PolarHBondContact O-N 3.4Å; S1036-T1039 VanDerWaalsContact O-N 3.12Å; S1036-T1039 WeakPolarHBondContact OG-CB 3.42Å; S1036-T1039 PolarHBondContact OG-N 2.94Å; S1036-T1039 VanDerWaalsContact OG-N 3.12Å; S1036-T1039 PolarHBondContact OG-OG1 2.96Å; S1036-R1040 WeakPolarHBondContact O-CG 3.27Å; S1036-R1040 PolarHBondContact O-N 3.31Å; S1036-E1091 VanDerWaalsContact CB-OE1 3.3Å; S1036-E1091 WeakPolarHBondContact CB-OE1 3.23Å; S1036-E1091 PolarHBondContact N-OE1 2.99Å; S1036-E1091 VanDerWaalsContact N-OE1 3.13Å; S1036-E1091 PolarHBondContact OG-OE1 3.48Å | ||
| 1037 | N | 82.8 | Confident | 84.9 | Confident | 70 Ų | 70 | 31.7 Ų | 31.7 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.3 | -36.6 | 175.1 | -79.9 | -5.2 | 0 | 0 | 0 | 111.8 | R1040 A1041 | N1037-R1040 PolarHBondContact O-N 3.03Å; N1037-R1040 PolarHBondContact OD1-NH1 2.76Å; N1037-A1041 WeakPolarHBondContact O-CB 3.49Å; N1037-A1041 PolarHBondContact O-N 3.1Å |
| 1038 | L | 85.9 | Confident | 86.3 | Confident | 24 Ų | 24 | 27.9 Ų | 27.9 | 13% | 0.126 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 172.4 | -179.2 | 59.7 | 0 | 0 | 0 | 111.9 | L999 S1036 A1041 K1042 | L999-L1038 HydrophobicContact CD1-CB 4.32Å; L999-L1038 HydrophobicContact CD1-CD1 4.43Å; L999-L1038 HydrophobicContact CD1-CD2 4.11Å; S1036-L1038 PolarHBondContact O-N 2.73Å; L1038-A1041 WeakPolarHBondContact O-CB 3.46Å; L1038-A1041 PolarHBondContact O-N 3.32Å; L1038-K1042 HydrophobicContact CG-CD 4.44Å; L1038-K1042 WeakPolarHBondContact O-CG 3.5Å; L1038-K1042 PolarHBondContact O-N 3.47Å |
| 1039 | T | 88.5 | Confident | 86.9 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 175.9 | -64.8 | 0 | 0 | 0 | 0 | 112.2 | V1035 S1036 A1041 K1042 I1043 E1091 L1095 | V1035-T1039 HydrophobicContact CG1-CG2 3.57Å; S1036-T1039 PolarHBondContact O-N 3.4Å; S1036-T1039 VanDerWaalsContact O-N 3.12Å; S1036-T1039 WeakPolarHBondContact OG-CB 3.42Å; S1036-T1039 PolarHBondContact OG-N 2.94Å; S1036-T1039 VanDerWaalsContact OG-N 3.12Å; S1036-T1039 PolarHBondContact OG-OG1 2.96Å; T1039-A1041 VanDerWaalsContact C-N 3.33Å; T1039-A1041 PolarHBondContact O-N 3.32Å; T1039-K1042 PolarHBondContact O-N 2.94Å; T1039-I1043 HydrophobicContact CG2-CD1 3.82Å; T1039-I1043 HydrophobicContact CG2-CG1 4.38Å; T1039-I1043 WeakPolarHBondContact O-CB 3.47Å; T1039-I1043 WeakPolarHBondContact O-CD1 3.47Å; T1039-I1043 VanDerWaalsContact O-CG1 3.22Å; T1039-I1043 WeakPolarHBondContact O-CG1 3.16Å; T1039-I1043 PolarHBondContact O-N 3.12Å; T1039-E1091 VanDerWaalsContact CB-OE1 3.23Å; T1039-E1091 WeakPolarHBondContact CB-OE1 3.28Å; T1039-E1091 HydrophobicContact CG2-CB 3.91Å; T1039-E1091 HydrophobicContact CG2-CG 3.94Å; T1039-E1091 PolarHBondContact OG1-OE1 3.16Å; T1039-L1095 HydrophobicContact CG2-CD2 4.4Å; T1039-L1095 HydrophobicContact CG2-CG 4.34Å |
| 1040 | R | 88.3 | Confident | 87.1 | Confident | 30 Ų | 30 | 24.1 Ų | 24.1 | 11% | 0.113 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 172.5 | -66.6 | 171.2 | -175 | 160.3 | -3.4 | 111.2 | W872 I958 D1032 V1035 S1036 N1037 I1043 S1044 | W872-R1040 HydrophobicContact CD2-CG 4.29Å; W872-R1040 HydrophobicContact CE3-CG 4.45Å; I958-R1040 HydrophobicContact CD1-CB 3.57Å; I958-R1040 HydrophobicContact CD1-CG 4.23Å; I958-R1040 HydrophobicContact CG1-CB 4.08Å; D1032-R1040 PolarHBondContact O-NH2 3.09Å; V1035-R1040 HydrophobicContact CB-CG 4.35Å; V1035-R1040 HydrophobicContact CG1-CG 3.89Å; V1035-R1040 VanDerWaalsContact O-CZ 3.24Å; V1035-R1040 PolarHBondContact O-NE 3.12Å; V1035-R1040 VanDerWaalsContact O-NE 3.09Å; V1035-R1040 PolarHBondContact O-NH2 2.8Å; S1036-R1040 WeakPolarHBondContact O-CG 3.27Å; S1036-R1040 PolarHBondContact O-N 3.31Å; N1037-R1040 PolarHBondContact O-N 3.03Å; N1037-R1040 PolarHBondContact OD1-NH1 2.76Å; R1040-I1043 PolarHBondContact O-N 3.44Å; R1040-S1044 PolarHBondContact O-N 2.91Å |
| 1041 | A | 89.7 | Confident | 87.6 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63 | -49.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y957 L961 V991 N1037 L1038 T1039 I1043 S1044 A1045 | Y957-A1041 HydrophobicContact CD1-CB 4.06Å; Y957-A1041 HydrophobicContact CE1-CB 4.16Å; L961-A1041 HydrophobicContact CD1-CB 4.45Å; V991-A1041 HydrophobicContact CG1-CB 3.76Å; N1037-A1041 WeakPolarHBondContact O-CB 3.49Å; N1037-A1041 PolarHBondContact O-N 3.1Å; L1038-A1041 WeakPolarHBondContact O-CB 3.46Å; L1038-A1041 PolarHBondContact O-N 3.32Å; T1039-A1041 VanDerWaalsContact C-N 3.33Å; T1039-A1041 PolarHBondContact O-N 3.32Å; A1041-I1043 VanDerWaalsContact C-N 3.3Å; A1041-I1043 PolarHBondContact O-N 3.28Å; A1041-S1044 CarbonylContact O-C 3.58Å; A1041-S1044 PolarHBondContact O-N 2.91Å; A1041-A1045 WeakPolarHBondContact O-CB 3.33Å; A1041-A1045 PolarHBondContact O-N 3.3Å |
| 1042 | K | 91.4 | Very high | 88.3 | Confident | 12 Ų | 12 | 22.1 Ų | 22.1 | 5% | 0.052 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -54 | -43.3 | 173.6 | -72.5 | -179.9 | 177.5 | -175.1 | 0 | 111.9 | V991 L992 I994 L1038 T1039 S1044 A1045 I1046 L1095 | V991-K1042 HydrophobicContact CG1-CG 4.21Å; V991-K1042 WeakPolarHBondContact O-CE 3.37Å; V991-K1042 VanDerWaalsContact O-CG 3.24Å; V991-K1042 WeakPolarHBondContact O-CG 3.37Å; L992-K1042 HydrophobicContact CD2-CB 4.31Å; L992-K1042 HydrophobicContact CD2-CG 4.24Å; L992-K1042 WeakPolarHBondContact O-CE 3.12Å; L992-K1042 PolarHBondContact O-NZ 3.36Å; I994-K1042 WeakPolarHBondContact O-CE 3.14Å; I994-K1042 PolarHBondContact O-NZ 3.01Å; L1038-K1042 HydrophobicContact CG-CD 4.44Å; L1038-K1042 WeakPolarHBondContact O-CG 3.5Å; L1038-K1042 PolarHBondContact O-N 3.47Å; T1039-K1042 PolarHBondContact O-N 2.94Å; K1042-S1044 PolarHBondContact O-N 3.09Å; K1042-A1045 PolarHBondContact O-N 3.35Å; K1042-I1046 WeakPolarHBondContact O-CD1 3.32Å; K1042-I1046 VanDerWaalsContact O-CG1 3.31Å; K1042-I1046 WeakPolarHBondContact O-CG1 3.34Å; K1042-I1046 PolarHBondContact O-N 2.96Å; K1042-I1046 VanDerWaalsContact O-N 3.09Å; K1042-L1095 HydrophobicContact CB-CD2 3.86Å |
| 1043 | I | 92.3 | Very high | 89.1 | Confident | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.5 | -36 | 176.1 | -70.2 | 164.7 | 0 | 0 | 0 | 112.7 | W872 T1039 R1040 A1041 K1047 R1094 L1095 V1098 | W872-I1043 HydrophobicContact CH2-CG2 4.25Å; T1039-I1043 HydrophobicContact CG2-CD1 3.82Å; T1039-I1043 HydrophobicContact CG2-CG1 4.38Å; T1039-I1043 WeakPolarHBondContact O-CB 3.47Å; T1039-I1043 WeakPolarHBondContact O-CD1 3.47Å; T1039-I1043 VanDerWaalsContact O-CG1 3.22Å; T1039-I1043 WeakPolarHBondContact O-CG1 3.16Å; T1039-I1043 PolarHBondContact O-N 3.12Å; R1040-I1043 PolarHBondContact O-N 3.44Å; A1041-I1043 VanDerWaalsContact C-N 3.3Å; A1041-I1043 PolarHBondContact O-N 3.28Å; I1043-K1047 HydrophobicContact CG2-CD 4.44Å; I1043-K1047 VanDerWaalsContact CG2-NZ 3.3Å; I1043-K1047 WeakPolarHBondContact O-CD 3.45Å; I1043-K1047 VanDerWaalsContact O-CG 3.32Å; I1043-K1047 WeakPolarHBondContact O-CG 3.43Å; I1043-R1094 HydrophobicContact CD1-CB 3.84Å; I1043-L1095 HydrophobicContact CG1-CD2 4.1Å; I1043-V1098 HydrophobicContact CG1-CG1 4.1Å; I1043-V1098 HydrophobicContact CG2-CB 4.42Å; I1043-V1098 HydrophobicContact CG2-CG2 4.32Å |
| 1044 | S | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -75.5 | -39.7 | 174.6 | -83.7 | 0 | 0 | 0 | 0 | 112.4 | R876 R1040 A1041 K1042 K1047 L1048 | R876-S1044 PolarHBondContact NH1-OG 2.86Å; R1040-S1044 PolarHBondContact O-N 2.91Å; A1041-S1044 CarbonylContact O-C 3.58Å; A1041-S1044 PolarHBondContact O-N 2.91Å; K1042-S1044 PolarHBondContact O-N 3.09Å; S1044-K1047 CarbonylContact O-C 3.52Å; S1044-K1047 PolarHBondContact O-N 2.86Å; S1044-K1047 VanDerWaalsContact O-N 3.12Å; S1044-L1048 PolarHBondContact O-N 3.49Å |
| 1045 | A | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.3 | -49.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L987 V991 L992 A1041 K1042 K1047 L1048 I1049 | L987-A1045 HydrophobicContact CD1-CB 3.62Å; L987-A1045 HydrophobicContact CD2-CB 3.9Å; L987-A1045 HydrophobicContact CG-CB 3.75Å; V991-A1045 HydrophobicContact CG1-CB 4.32Å; L992-A1045 HydrophobicContact CD2-CB 3.83Å; L992-A1045 HydrophobicContact CG-CB 4.48Å; A1041-A1045 WeakPolarHBondContact O-CB 3.33Å; A1041-A1045 PolarHBondContact O-N 3.3Å; K1042-A1045 PolarHBondContact O-N 3.35Å; A1045-K1047 PolarHBondContact O-N 3.27Å; A1045-L1048 WeakPolarHBondContact O-CB 3.21Å; A1045-L1048 PolarHBondContact O-N 3.21Å; A1045-L1048 VanDerWaalsContact O-N 3.1Å; A1045-I1049 WeakPolarHBondContact O-CG1 3.15Å; A1045-I1049 PolarHBondContact O-N 2.99Å |
| 1046 | I | 95.1 | Very high | 90.5 | Very high | 6 Ų | 6 | 18 Ų | 18 | 3% | 0.031 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.6 | -38.6 | 175.9 | -66.3 | 163.3 | 0 | 0 | 0 | 110.7 | L992 K1042 T1050 L1071 I1074 L1095 V1098 | L992-I1046 HydrophobicContact CD2-CG1 4.1Å; K1042-I1046 WeakPolarHBondContact O-CD1 3.32Å; K1042-I1046 VanDerWaalsContact O-CG1 3.31Å; K1042-I1046 WeakPolarHBondContact O-CG1 3.34Å; K1042-I1046 PolarHBondContact O-N 2.96Å; K1042-I1046 VanDerWaalsContact O-N 3.09Å; I1046-T1050 VanDerWaalsContact O-CB 3.28Å; I1046-T1050 WeakPolarHBondContact O-CB 3.18Å; I1046-T1050 PolarHBondContact O-N 3.3Å; I1046-T1050 PolarHBondContact O-OG1 3.42Å; I1046-L1071 HydrophobicContact CG2-CD2 3.73Å; I1046-I1074 HydrophobicContact CD1-CD1 3.76Å; I1046-I1074 HydrophobicContact CG1-CD1 4.38Å; I1046-L1095 HydrophobicContact CD1-CD2 4.44Å; I1046-V1098 HydrophobicContact CB-CG1 4.5Å; I1046-V1098 HydrophobicContact CB-CG2 4.11Å; I1046-V1098 HydrophobicContact CD1-CG1 3.7Å; I1046-V1098 HydrophobicContact CG2-CG1 4.44Å; I1046-V1098 HydrophobicContact CG2-CG2 3.87Å |
| 1047 | K | 94.6 | Very high | 90.1 | Very high | 60 Ų | 60 | 22.7 Ų | 22.7 | 26% | 0.261 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -74.6 | -28.1 | 177.5 | -68.1 | 169.6 | -171.7 | 168.2 | 0 | 113.3 | S965 I1043 S1044 A1045 N1051 V1098 | S965-K1047 PolarHBondContact OG-O 3.34Å; I1043-K1047 HydrophobicContact CG2-CD 4.44Å; I1043-K1047 VanDerWaalsContact CG2-NZ 3.3Å; I1043-K1047 WeakPolarHBondContact O-CD 3.45Å; I1043-K1047 VanDerWaalsContact O-CG 3.32Å; I1043-K1047 WeakPolarHBondContact O-CG 3.43Å; S1044-K1047 CarbonylContact O-C 3.52Å; S1044-K1047 PolarHBondContact O-N 2.86Å; S1044-K1047 VanDerWaalsContact O-N 3.12Å; A1045-K1047 PolarHBondContact O-N 3.27Å; K1047-N1051 WeakPolarHBondContact O-CB 3.48Å; K1047-N1051 PolarHBondContact O-N 3.17Å; K1047-N1051 PolarHBondContact O-OD1 3.03Å; K1047-V1098 HydrophobicContact CD-CG2 4.18Å; K1047-V1098 VanDerWaalsContact CE-CG2 3.43Å; K1047-V1098 HydrophobicContact CG-CG2 3.78Å |
| 1048 | L | 95.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.6 | -57.9 | 169 | 163.9 | 52.8 | 0 | 0 | 0 | 109.9 | L961 L964 S965 A968 I979 F982 I983 L987 S1044 A1045 T1050 N1051 W1052 | L961-L1048 HydrophobicContact CD2-CD2 3.92Å; L964-L1048 HydrophobicContact CB-CD1 4.08Å; L964-L1048 HydrophobicContact CB-CD2 4.16Å; S965-L1048 PolarHBondContact OG-N 3.28Å; A968-L1048 HydrophobicContact CB-CD1 4.15Å; I979-L1048 HydrophobicContact CG2-CD1 4.08Å; F982-L1048 HydrophobicContact CD1-CD2 4.05Å; F982-L1048 HydrophobicContact CE1-CD2 3.72Å; I983-L1048 HydrophobicContact CD1-CD1 4.45Å; I983-L1048 HydrophobicContact CD1-CG 4.3Å; I983-L1048 HydrophobicContact CG1-CG 4.37Å; L987-L1048 HydrophobicContact CD2-CB 4.49Å; L987-L1048 HydrophobicContact CD2-CD2 3.73Å; L987-L1048 HydrophobicContact CD2-CG 4.13Å; S1044-L1048 PolarHBondContact O-N 3.49Å; A1045-L1048 WeakPolarHBondContact O-CB 3.21Å; A1045-L1048 PolarHBondContact O-N 3.21Å; A1045-L1048 VanDerWaalsContact O-N 3.1Å; L1048-T1050 VanDerWaalsContact C-N 3.29Å; L1048-T1050 PolarHBondContact O-N 2.83Å; L1048-N1051 PolarHBondContact O-N 3.48Å; L1048-W1052 WeakPolarHBondContact O-CB 3.23Å; L1048-W1052 PolarHBondContact O-N 3.42Å |
| 1049 | I | 93.7 | Very high | 88.2 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -54.6 | -46 | 179 | -61.9 | 167.7 | 0 | 0 | 0 | 111.1 | I983 L987 V988 L992 A1045 N1051 W1052 L1053 I1067 | I983-I1049 HydrophobicContact CD1-CG1 4.2Å; I983-I1049 HydrophobicContact CG1-CG1 4.22Å; I983-I1049 HydrophobicContact CG2-CD1 4.38Å; I983-I1049 HydrophobicContact CG2-CG1 3.99Å; L987-I1049 HydrophobicContact CD2-CD1 4.1Å; L987-I1049 HydrophobicContact CD2-CG1 3.92Å; V988-I1049 HydrophobicContact CG2-CD1 4.5Å; L992-I1049 HydrophobicContact CD1-CD1 3.94Å; A1045-I1049 WeakPolarHBondContact O-CG1 3.15Å; A1045-I1049 PolarHBondContact O-N 2.99Å; I1049-N1051 VanDerWaalsContact C-N 3.34Å; I1049-N1051 PolarHBondContact O-N 3.23Å; I1049-W1052 PolarHBondContact O-N 3.12Å; I1049-L1053 PolarHBondContact O-N 3.24Å; I1049-L1053 VanDerWaalsContact O-N 3.16Å; I1049-I1067 HydrophobicContact CG2-CB 4.37Å; I1049-I1067 HydrophobicContact CG2-CD1 3.67Å; I1049-I1067 HydrophobicContact CG2-CG1 3.75Å; I1049-I1067 HydrophobicContact CG2-CG2 3.64Å |
| 1050 | T | 93.5 | Very high | 87.4 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.5 | -35.5 | 178.6 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | I1046 L1048 V1054 S1102 K1105 L1106 | I1046-T1050 VanDerWaalsContact O-CB 3.28Å; I1046-T1050 WeakPolarHBondContact O-CB 3.18Å; I1046-T1050 PolarHBondContact O-N 3.3Å; I1046-T1050 PolarHBondContact O-OG1 3.42Å; L1048-T1050 VanDerWaalsContact C-N 3.29Å; L1048-T1050 PolarHBondContact O-N 2.83Å; T1050-V1054 WeakPolarHBondContact O-CG2 3.48Å; T1050-V1054 PolarHBondContact O-N 3.36Å; T1050-S1102 VanDerWaalsContact OG1-CB 3.26Å; T1050-S1102 WeakPolarHBondContact OG1-CB 3.15Å; T1050-S1102 PolarHBondContact OG1-OG 3.31Å; T1050-K1105 HydrophobicContact CG2-CB 4.12Å; T1050-K1105 HydrophobicContact CG2-CD 4.07Å; T1050-L1106 HydrophobicContact CG2-CD2 4.15Å; T1050-L1106 HydrophobicContact CG2-CG 4.16Å |
| 1051 | N | 93.1 | Very high | 87 | Confident | 16 Ų | 16 | 34.4 Ų | 34.4 | 9% | 0.086 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -74.4 | -38 | 177.4 | -83 | 12.1 | 0 | 0 | 0 | 112.3 | S965 L969 K1047 L1048 I1049 V1054 G1055 K1105 | S965-N1051 WeakPolarHBondContact O-CB 3.11Å; S965-N1051 PolarHBondContact O-ND2 3.09Å; S965-N1051 PolarHBondContact OG-ND2 2.94Å; L969-N1051 HydrophobicContact CB-CB 4.18Å; K1047-N1051 WeakPolarHBondContact O-CB 3.48Å; K1047-N1051 PolarHBondContact O-N 3.17Å; K1047-N1051 PolarHBondContact O-OD1 3.03Å; L1048-N1051 PolarHBondContact O-N 3.48Å; I1049-N1051 VanDerWaalsContact C-N 3.34Å; I1049-N1051 PolarHBondContact O-N 3.23Å; N1051-V1054 CarbonylContact O-C 3.38Å; N1051-V1054 PolarHBondContact O-N 2.78Å; N1051-G1055 PolarHBondContact O-N 3.36Å; N1051-K1105 PolarHBondContact OD1-NZ 3.17Å |
| 1052 | W | 92.8 | Very high | 86.8 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 6% | 0.064 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.5 | -51.5 | 175 | 172 | 60.9 | 0 | 0 | 0 | 111.7 | A968 N976 I979 K980 I983 L1048 I1049 V1054 G1055 L1056 V1063 | A968-W1052 HydrophobicContact CB-CB 3.78Å; A968-W1052 HydrophobicContact CB-CG 4.46Å; N976-W1052 PolarHBondContact OD1-NE1 3.3Å; I979-W1052 HydrophobicContact CG2-CB 4.47Å; I979-W1052 HydrophobicContact CG2-CG 4.12Å; K980-W1052 HydrophobicContact CB-CZ2 3.84Å; K980-W1052 HydrophobicContact CG-CZ2 4.07Å; I983-W1052 HydrophobicContact CD1-CB 4.18Å; I983-W1052 HydrophobicContact CD1-CD2 3.72Å; I983-W1052 HydrophobicContact CD1-CE3 3.67Å; I983-W1052 HydrophobicContact CD1-CG 3.98Å; I983-W1052 HydrophobicContact CD1-CZ3 4.3Å; L1048-W1052 WeakPolarHBondContact O-CB 3.23Å; L1048-W1052 PolarHBondContact O-N 3.42Å; I1049-W1052 PolarHBondContact O-N 3.12Å; W1052-V1054 VanDerWaalsContact C-N 3.32Å; W1052-V1054 PolarHBondContact O-N 3.48Å; W1052-G1055 PolarHBondContact O-N 3.18Å; W1052-G1055 VanDerWaalsContact O-N 3.16Å; W1052-L1056 HydrophobicContact CD2-CD1 4.19Å; W1052-L1056 HydrophobicContact CG-CD1 4.38Å; W1052-L1056 HydrophobicContact CZ2-CD1 4.02Å; W1052-L1056 WeakPolarHBondContact O-CG 3.43Å; W1052-L1056 PolarHBondContact O-N 3.36Å; W1052-V1063 HydrophobicContact CH2-CG1 4.06Å; W1052-V1063 HydrophobicContact CZ3-CG1 4.14Å |
| 1053 | L | 90.5 | Very high | 86.5 | Confident | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -38.7 | 174.6 | -65 | -178.3 | 0 | 0 | 0 | 112.7 | I1049 K1057 V1063 V1064 I1067 L1106 Y1112 | I1049-L1053 PolarHBondContact O-N 3.24Å; I1049-L1053 VanDerWaalsContact O-N 3.16Å; L1053-K1057 PolarHBondContact O-N 2.9Å; L1053-V1063 HydrophobicContact CD2-CG1 4.32Å; L1053-V1064 HydrophobicContact CD2-CG2 4.28Å; L1053-I1067 HydrophobicContact CD1-CB 3.92Å; L1053-I1067 HydrophobicContact CD1-CG1 4.08Å; L1053-I1067 HydrophobicContact CD1-CG2 3.85Å; L1053-L1106 HydrophobicContact CB-CD2 3.83Å; L1053-L1106 HydrophobicContact CD1-CD1 4.4Å; L1053-L1106 HydrophobicContact CD1-CD2 3.99Å; L1053-Y1112 HydrophobicContact CB-CE2 4.24Å; L1053-Y1112 WeakPolarHBondContact O-CE2 3.02Å; L1053-Y1112 PolarHBondContact O-OH 2.89Å |
| 1054 | V | 89.9 | Confident | 86.3 | Confident | 40 Ų | 40 | 40.6 Ų | 40.6 | 24% | 0.242 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.1 | -27.5 | 178.4 | 173.7 | 0 | 0 | 0 | 0 | 112.5 | L969 T1050 N1051 W1052 K1105 L1106 | L969-V1054 HydrophobicContact CD1-CB 4.02Å; L969-V1054 HydrophobicContact CD1-CG1 3.71Å; T1050-V1054 WeakPolarHBondContact O-CG2 3.48Å; T1050-V1054 PolarHBondContact O-N 3.36Å; N1051-V1054 CarbonylContact O-C 3.38Å; N1051-V1054 PolarHBondContact O-N 2.78Å; W1052-V1054 VanDerWaalsContact C-N 3.32Å; W1052-V1054 PolarHBondContact O-N 3.48Å; V1054-K1105 HydrophobicContact CG2-CD 4.19Å; V1054-K1105 HydrophobicContact CG2-CG 4.2Å; V1054-L1106 HydrophobicContact CG2-CD2 4.07Å |
| 1055 | G | 87.2 | Confident | 86.2 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.2 | -49 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | P972 N1051 W1052 K1057 | P972-G1055 WeakPolarHBondContact CG-O 3.32Å; N1051-G1055 PolarHBondContact O-N 3.36Å; W1052-G1055 PolarHBondContact O-N 3.18Å; W1052-G1055 VanDerWaalsContact O-N 3.16Å; G1055-K1057 VanDerWaalsContact C-N 3.33Å; G1055-K1057 PolarHBondContact O-N 2.9Å |
| 1056 | L | 85.8 | Confident | 86 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.5 | -37.5 | -178.4 | -78.8 | 173.7 | 0 | 0 | 0 | 114.2 | P972 N976 W1052 N1058 | P972-L1056 HydrophobicContact CB-CD2 4.24Å; N976-L1056 HydrophobicContact CB-CD2 4.3Å; W1052-L1056 HydrophobicContact CD2-CD1 4.19Å; W1052-L1056 HydrophobicContact CG-CD1 4.38Å; W1052-L1056 HydrophobicContact CZ2-CD1 4.02Å; W1052-L1056 WeakPolarHBondContact O-CG 3.43Å; W1052-L1056 PolarHBondContact O-N 3.36Å; L1056-N1058 PolarHBondContact O-N 3.45Å; L1056-N1058 PolarHBondContact O-OD1 3.3Å |
| 1057 | K | 76.3 | Confident | 85.9 | Confident | 149 Ų | 149 | 48.6 Ų | 48.6 | 65% | 0.648 | 25% | 0.253 | S | S | * | . | trans | 58.1 | -10.7 | -173.1 | -54.6 | 164.5 | -170.7 | 165.6 | 0 | 116.3 | L1053 G1055 | L1053-K1057 PolarHBondContact O-N 2.9Å; G1055-K1057 VanDerWaalsContact C-N 3.33Å; G1055-K1057 PolarHBondContact O-N 2.9Å | ||
| 1058 | N | 68.4 | Low | 85.8 | Confident | 95 Ų | 95 | 45.8 Ų | 45.8 | 51% | 0.508 | 24% | 0.241 | S | C | . | . | trans | -69 | 144.5 | -171.5 | -69.8 | -27.7 | 0 | 0 | 0 | 114 | L1056 V1060 | L1056-N1058 PolarHBondContact O-N 3.45Å; L1056-N1058 PolarHBondContact O-OD1 3.3Å; N1058-V1060 HydrophobicContact CB-CG2 4.28Å; N1058-V1060 PolarHBondContact O-N 2.89Å | ||
| 1059 | E | 60.3 | Low | 85.7 | Confident | 132 Ų | 132 | 51.2 Ų | 51.2 | 62% | 0.617 | 26% | 0.262 | S | S | * | . | trans | -79.1 | 43.6 | -178.3 | -55 | -158.9 | 171.8 | 0 | 0 | 114.4 | K1061 A1111 | E1059-K1061 PolarHBondContact O-N 3.35Å; E1059-K1061 IonicContact OE2-NZ 3.82Å; E1059-A1111 HydrophobicContact CG-CB 3.97Å | ||
| 1060 | V | 71.6 | Confident | 85.6 | Confident | 77 Ų | 77 | 52.5 Ų | 52.5 | 47% | 0.467 | 27% | 0.269 | S | S | . | . | trans | -78.1 | 66 | 174 | -166.4 | 0 | 0 | 0 | 0 | 109.7 | N1058 P1062 V1063 V1064 | N1058-V1060 HydrophobicContact CB-CG2 4.28Å; N1058-V1060 PolarHBondContact O-N 2.89Å; V1060-P1062 VanDerWaalsContact C-N 3.31Å; V1060-P1062 VanDerWaalsContact O-N 3.14Å; V1060-V1063 HydrophobicContact CG1-CB 4.05Å; V1060-V1063 HydrophobicContact CG1-CG2 3.66Å; V1060-V1063 PolarHBondContact O-N 2.62Å; V1060-V1064 PolarHBondContact O-N 3.4Å | ||
| 1061 | K | 79.1 | Confident | 85.7 | Confident | 68 Ų | 68 | 52.6 Ų | 52.6 | 30% | 0.296 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -48.1 | -40.6 | -172.5 | -61.1 | -167.2 | 179.5 | -179.7 | 0 | 113.8 | E1059 V1063 V1064 Q1065 E1114 C1115 | E1059-K1061 PolarHBondContact O-N 3.35Å; E1059-K1061 IonicContact OE2-NZ 3.82Å; K1061-V1063 PolarHBondContact O-N 3.2Å; K1061-V1064 PolarHBondContact O-N 3.36Å; K1061-Q1065 WeakPolarHBondContact O-CB 3.32Å; K1061-Q1065 PolarHBondContact O-N 3.21Å; K1061-E1114 IonicContact NZ-OE2 3.97Å; K1061-E1114 PolarHBondContact NZ-OE2 3.28Å; K1061-C1115 VanDerWaalsContact CB-SG 3.57Å |
| 1062 | P | 85.4 | Confident | 85.8 | Confident | 90 Ų | 90 | 54 Ų | 54 | 58% | 0.584 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.7 | -42.7 | 176.9 | -25.1 | 35.7 | 0 | 0 | 0 | 114.4 | V1060 Q1065 V1066 | V1060-P1062 VanDerWaalsContact C-N 3.31Å; V1060-P1062 VanDerWaalsContact O-N 3.14Å; P1062-Q1065 PolarHBondContact O-N 2.81Å; P1062-V1066 WeakPolarHBondContact O-CG2 3.3Å; P1062-V1066 PolarHBondContact O-N 2.92Å |
| 1063 | V | 86.3 | Confident | 85.8 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 178.8 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | W1052 L1053 V1060 K1061 V1066 I1067 | W1052-V1063 HydrophobicContact CH2-CG1 4.06Å; W1052-V1063 HydrophobicContact CZ3-CG1 4.14Å; L1053-V1063 HydrophobicContact CD2-CG1 4.32Å; V1060-V1063 HydrophobicContact CG1-CB 4.05Å; V1060-V1063 HydrophobicContact CG1-CG2 3.66Å; V1060-V1063 PolarHBondContact O-N 2.62Å; K1061-V1063 PolarHBondContact O-N 3.2Å; V1063-V1066 PolarHBondContact O-N 3.05Å; V1063-I1067 WeakPolarHBondContact O-CG1 3.4Å; V1063-I1067 PolarHBondContact O-N 2.8Å; V1063-I1067 VanDerWaalsContact O-N 3.09Å |
| 1064 | V | 87.8 | Confident | 86 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 175.8 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | L1053 V1060 K1061 V1066 I1067 I1068 Y1112 C1115 | L1053-V1064 HydrophobicContact CD2-CG2 4.28Å; V1060-V1064 PolarHBondContact O-N 3.4Å; K1061-V1064 PolarHBondContact O-N 3.36Å; V1064-V1066 PolarHBondContact O-N 2.71Å; V1064-I1067 PolarHBondContact O-N 3.47Å; V1064-I1068 HydrophobicContact CG1-CD1 3.6Å; V1064-I1068 HydrophobicContact CG1-CG1 4.26Å; V1064-I1068 WeakPolarHBondContact O-CB 3.46Å; V1064-I1068 VanDerWaalsContact O-CG1 3.29Å; V1064-I1068 WeakPolarHBondContact O-CG1 3.23Å; V1064-I1068 PolarHBondContact O-N 3.27Å; V1064-Y1112 HydrophobicContact CB-CD1 4.36Å; V1064-Y1112 HydrophobicContact CG1-CD1 3.78Å; V1064-Y1112 HydrophobicContact CG1-CE1 4.47Å; V1064-Y1112 HydrophobicContact CG1-CG 3.83Å; V1064-Y1112 HydrophobicContact CG2-CD1 3.77Å; V1064-Y1112 HydrophobicContact CG2-CE1 3.64Å; V1064-Y1112 HydrophobicContact CG2-CG 4.44Å; V1064-C1115 HydrophobicContact CB-CB 4.45Å; V1064-C1115 HydrophobicContact CG1-CB 3.87Å |
| 1065 | Q | 89.7 | Confident | 86.2 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 36% | 0.36 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 178.4 | -171 | -179.4 | 9.1 | 0 | 0 | 112 | K1061 P1062 I1067 I1068 R1069 C1115 E1117 W1120 | K1061-Q1065 WeakPolarHBondContact O-CB 3.32Å; K1061-Q1065 PolarHBondContact O-N 3.21Å; P1062-Q1065 PolarHBondContact O-N 2.81Å; Q1065-I1067 PolarHBondContact O-N 3.12Å; Q1065-I1068 PolarHBondContact O-N 3.29Å; Q1065-R1069 VanDerWaalsContact O-CB 3.28Å; Q1065-R1069 WeakPolarHBondContact O-CB 3.47Å; Q1065-R1069 PolarHBondContact O-N 2.8Å; Q1065-C1115 HydrophobicContact CB-CB 4.45Å; Q1065-E1117 PolarHBondContact NE2-OE1 3.12Å; Q1065-W1120 HydrophobicContact CG-CH2 3.78Å; Q1065-W1120 HydrophobicContact CG-CZ3 4.12Å |
| 1066 | V | 90.7 | Very high | 86.5 | Confident | 82 Ų | 82 | 60.6 Ų | 60.6 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 174.7 | 167.7 | 0 | 0 | 0 | 0 | 111.9 | P1062 V1063 V1064 R1069 L1070 | P1062-V1066 WeakPolarHBondContact O-CG2 3.3Å; P1062-V1066 PolarHBondContact O-N 2.92Å; V1063-V1066 PolarHBondContact O-N 3.05Å; V1064-V1066 PolarHBondContact O-N 2.71Å; V1066-R1069 PolarHBondContact O-N 3.09Å; V1066-L1070 PolarHBondContact O-N 3.47Å |
| 1067 | I | 91.1 | Very high | 86.8 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.5 | -41.7 | 176.9 | -64.9 | -48.2 | 0 | 0 | 0 | 111.7 | I1049 L1053 V1063 V1064 Q1065 R1069 L1070 L1071 L1106 | I1049-I1067 HydrophobicContact CG2-CB 4.37Å; I1049-I1067 HydrophobicContact CG2-CD1 3.67Å; I1049-I1067 HydrophobicContact CG2-CG1 3.75Å; I1049-I1067 HydrophobicContact CG2-CG2 3.64Å; L1053-I1067 HydrophobicContact CD1-CB 3.92Å; L1053-I1067 HydrophobicContact CD1-CG1 4.08Å; L1053-I1067 HydrophobicContact CD1-CG2 3.85Å; V1063-I1067 WeakPolarHBondContact O-CG1 3.4Å; V1063-I1067 PolarHBondContact O-N 2.8Å; V1063-I1067 VanDerWaalsContact O-N 3.09Å; V1064-I1067 PolarHBondContact O-N 3.47Å; Q1065-I1067 PolarHBondContact O-N 3.12Å; I1067-R1069 VanDerWaalsContact C-N 3.31Å; I1067-R1069 PolarHBondContact O-N 3.22Å; I1067-L1070 HydrophobicContact CD1-CD2 4.39Å; I1067-L1070 WeakPolarHBondContact O-CB 3.49Å; I1067-L1070 PolarHBondContact O-N 2.86Å; I1067-L1070 VanDerWaalsContact O-N 3.12Å; I1067-L1071 WeakPolarHBondContact O-CG 3.49Å; I1067-L1071 PolarHBondContact O-N 3.47Å; I1067-L1106 HydrophobicContact CG2-CD1 4.48Å |
| 1068 | I | 92.6 | Very high | 87.5 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 175.3 | -69.2 | 175.7 | 0 | 0 | 0 | 110 | V1064 Q1065 L1070 L1071 Y1072 W1103 L1106 C1115 I1116 W1120 | V1064-I1068 HydrophobicContact CG1-CD1 3.6Å; V1064-I1068 HydrophobicContact CG1-CG1 4.26Å; V1064-I1068 WeakPolarHBondContact O-CB 3.46Å; V1064-I1068 VanDerWaalsContact O-CG1 3.29Å; V1064-I1068 WeakPolarHBondContact O-CG1 3.23Å; V1064-I1068 PolarHBondContact O-N 3.27Å; Q1065-I1068 PolarHBondContact O-N 3.29Å; I1068-L1070 VanDerWaalsContact C-N 3.31Å; I1068-L1070 PolarHBondContact O-N 3.44Å; I1068-L1071 PolarHBondContact O-N 3.22Å; I1068-Y1072 WeakPolarHBondContact O-CB 3.49Å; I1068-Y1072 PolarHBondContact O-N 3.38Å; I1068-W1103 HydrophobicContact CB-CZ3 4.48Å; I1068-W1103 HydrophobicContact CG2-CE3 4.02Å; I1068-W1103 HydrophobicContact CG2-CH2 3.49Å; I1068-W1103 VanDerWaalsContact CG2-CH2 3.49Å; I1068-W1103 HydrophobicContact CG2-CZ2 4.26Å; I1068-W1103 HydrophobicContact CG2-CZ3 3.36Å; I1068-W1103 WeakPolarHBondContact O-CZ3 3.25Å; I1068-L1106 HydrophobicContact CG1-CD1 3.9Å; I1068-C1115 HydrophobicContact CD1-CB 4.14Å; I1068-I1116 HydrophobicContact CD1-CG1 3.86Å; I1068-I1116 HydrophobicContact CG2-CG1 4.09Å; I1068-W1120 HydrophobicContact CB-CZ3 4.25Å; I1068-W1120 HydrophobicContact CG2-CE3 3.68Å; I1068-W1120 HydrophobicContact CG2-CZ3 3.73Å |
| 1069 | R | 93.4 | Very high | 88.5 | Confident | 113 Ų | 113 | 54.5 Ų | 54.5 | 43% | 0.426 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.1 | -34.7 | 174.2 | -163.5 | 173.5 | 69 | 169 | -0.1 | 113 | Q1065 V1066 I1067 R1073 W1120 | Q1065-R1069 VanDerWaalsContact O-CB 3.28Å; Q1065-R1069 WeakPolarHBondContact O-CB 3.47Å; Q1065-R1069 PolarHBondContact O-N 2.8Å; V1066-R1069 PolarHBondContact O-N 3.09Å; I1067-R1069 VanDerWaalsContact C-N 3.31Å; I1067-R1069 PolarHBondContact O-N 3.22Å; R1069-R1073 WeakPolarHBondContact O-CG 3.47Å; R1069-R1073 PolarHBondContact O-N 3.36Å; R1069-W1120 HydrophobicContact CB-CH2 3.53Å; R1069-W1120 HydrophobicContact CB-CZ2 4.02Å; R1069-W1120 HydrophobicContact CB-CZ3 3.92Å; R1069-W1120 HydrophobicContact CG-CH2 3.79Å; R1069-W1120 HydrophobicContact CG-CZ2 3.72Å; R1069-W1120 HydrophobicContact CG-CZ3 4.49Å |
| 1070 | L | 92.7 | Very high | 89.9 | Confident | 32 Ų | 32 | 48.5 Ų | 48.5 | 17% | 0.168 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.4 | -46 | 172.5 | 171.8 | 63.3 | 0 | 0 | 0 | 111.5 | L992 V1066 I1067 I1068 Y1072 R1073 I1074 L1081 | L992-L1070 HydrophobicContact CD1-CD2 4Å; V1066-L1070 PolarHBondContact O-N 3.47Å; I1067-L1070 HydrophobicContact CD1-CD2 4.39Å; I1067-L1070 WeakPolarHBondContact O-CB 3.49Å; I1067-L1070 PolarHBondContact O-N 2.86Å; I1067-L1070 VanDerWaalsContact O-N 3.12Å; I1068-L1070 VanDerWaalsContact C-N 3.31Å; I1068-L1070 PolarHBondContact O-N 3.44Å; L1070-Y1072 VanDerWaalsContact C-N 3.34Å; L1070-Y1072 PolarHBondContact O-N 3.18Å; L1070-R1073 PolarHBondContact O-N 3.47Å; L1070-I1074 HydrophobicContact CD1-CD1 4.4Å; L1070-I1074 HydrophobicContact CG-CD1 4.43Å; L1070-I1074 WeakPolarHBondContact O-CG1 3.27Å; L1070-I1074 PolarHBondContact O-N 2.88Å; L1070-I1074 VanDerWaalsContact O-N 3.1Å; L1070-L1081 HydrophobicContact CD1-CD1 3.92Å; L1070-L1081 HydrophobicContact CD1-CD2 3.71Å; L1070-L1081 HydrophobicContact CD1-CG 4.5Å |
| 1071 | L | 95 | Very high | 90.6 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 175 | -59.6 | -172.7 | 0 | 0 | 0 | 111.2 | I1046 I1067 I1068 I1074 I1075 A1099 W1103 L1106 | I1046-L1071 HydrophobicContact CG2-CD2 3.73Å; I1067-L1071 WeakPolarHBondContact O-CG 3.49Å; I1067-L1071 PolarHBondContact O-N 3.47Å; I1068-L1071 PolarHBondContact O-N 3.22Å; L1071-I1074 PolarHBondContact O-N 3.15Å; L1071-I1075 WeakPolarHBondContact O-CD1 3.28Å; L1071-I1075 WeakPolarHBondContact O-CG1 3.4Å; L1071-I1075 PolarHBondContact O-N 3.42Å; L1071-A1099 HydrophobicContact CB-CB 4.34Å; L1071-A1099 HydrophobicContact CD2-CB 4.3Å; L1071-W1103 HydrophobicContact CB-CE3 4.06Å; L1071-W1103 HydrophobicContact CD1-CB 4.42Å; L1071-L1106 HydrophobicContact CD1-CD1 3.95Å |
| 1072 | Y | 95 | Very high | 90.8 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.5 | -50.2 | 174.4 | 167.9 | -114.6 | 0 | 0 | 0 | 111.9 | I1068 L1070 I1074 I1075 I1076 W1120 | I1068-Y1072 WeakPolarHBondContact O-CB 3.49Å; I1068-Y1072 PolarHBondContact O-N 3.38Å; L1070-Y1072 VanDerWaalsContact C-N 3.34Å; L1070-Y1072 PolarHBondContact O-N 3.18Å; Y1072-I1074 VanDerWaalsContact C-N 3.33Å; Y1072-I1074 PolarHBondContact O-N 2.89Å; Y1072-I1075 WeakPolarHBondContact O-CA 3.41Å; Y1072-I1075 WeakPolarHBondContact O-CB 3.21Å; Y1072-I1075 PolarHBondContact O-N 3.39Å; Y1072-I1076 HydrophobicContact CD1-CD1 4.38Å; Y1072-I1076 HydrophobicContact CD1-CG1 4.49Å; Y1072-I1076 HydrophobicContact CD2-CG2 3.86Å; Y1072-I1076 HydrophobicContact CE1-CD1 3.73Å; Y1072-I1076 HydrophobicContact CE1-CG1 4.24Å; Y1072-I1076 HydrophobicContact CE2-CB 4.45Å; Y1072-I1076 HydrophobicContact CE2-CD1 4.33Å; Y1072-I1076 HydrophobicContact CE2-CG1 4.29Å; Y1072-I1076 HydrophobicContact CE2-CG2 3.38Å; Y1072-I1076 WeakPolarHBondContact O-CG1 3.46Å; Y1072-I1076 PolarHBondContact O-N 3.49Å; Y1072-W1120 AromaticContact CD1-CD1 3.95Å; Y1072-W1120 HydrophobicContact CD1-CD2 4.23Å; Y1072-W1120 AromaticContact CD1-CG 3.98Å; Y1072-W1120 HydrophobicContact CD1-CG 3.98Å; Y1072-W1120 HydrophobicContact CD2-CB 3.71Å; Y1072-W1120 HydrophobicContact CD2-CG 4.01Å; Y1072-W1120 AromaticContact CE1-CD1 3.69Å; Y1072-W1120 HydrophobicContact CE1-CG 4.16Å; Y1072-W1120 HydrophobicContact CE2-CB 4Å; Y1072-W1120 HydrophobicContact CE2-CG 4.18Å; Y1072-W1120 HydrophobicContact CG-CB 4.01Å; Y1072-W1120 HydrophobicContact CG-CD2 4.31Å; Y1072-W1120 AromaticContact CG-CG 3.91Å; Y1072-W1120 HydrophobicContact CG-CG 3.91Å; Y1072-W1120 AromaticContact CZ-CD1 3.77Å |
| 1073 | R | 94 | Very high | 90.7 | Very high | 117 Ų | 117 | 48.4 Ų | 48.4 | 44% | 0.442 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58 | -40.6 | 177.3 | -78.1 | 176.2 | 177 | -164.7 | -3 | 113.1 | R1069 L1070 I1075 H1077 L1081 | R1069-R1073 WeakPolarHBondContact O-CG 3.47Å; R1069-R1073 PolarHBondContact O-N 3.36Å; L1070-R1073 PolarHBondContact O-N 3.47Å; R1073-I1075 VanDerWaalsContact C-N 3.25Å; R1073-I1075 PolarHBondContact O-N 3.01Å; R1073-H1077 WeakPolarHBondContact O-CB 3.47Å; R1073-H1077 PolarHBondContact O-CD2 2.77Å; R1073-H1077 VanDerWaalsContact O-CG 3.29Å; R1073-H1077 PolarHBondContact O-N 2.84Å; R1073-H1077 VanDerWaalsContact O-N 3.1Å; R1073-L1081 HydrophobicContact CB-CD1 4.13Å |
| 1074 | I | 94.1 | Very high | 90.4 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.2 | -36.8 | 174.8 | -64 | 165.4 | 0 | 0 | 0 | 110.8 | I1046 L1070 L1071 Y1072 G1079 L1081 L1095 A1099 | I1046-I1074 HydrophobicContact CD1-CD1 3.76Å; I1046-I1074 HydrophobicContact CG1-CD1 4.38Å; L1070-I1074 HydrophobicContact CD1-CD1 4.4Å; L1070-I1074 HydrophobicContact CG-CD1 4.43Å; L1070-I1074 WeakPolarHBondContact O-CG1 3.27Å; L1070-I1074 PolarHBondContact O-N 2.88Å; L1070-I1074 VanDerWaalsContact O-N 3.1Å; L1071-I1074 PolarHBondContact O-N 3.15Å; Y1072-I1074 VanDerWaalsContact C-N 3.33Å; Y1072-I1074 PolarHBondContact O-N 2.89Å; I1074-G1079 WeakPolarHBondContact O-CA 3.28Å; I1074-G1079 PolarHBondContact O-N 3.16Å; I1074-L1081 HydrophobicContact CG1-CB 4.41Å; I1074-L1081 HydrophobicContact CG1-CD1 4.05Å; I1074-L1081 HydrophobicContact CG1-CD2 4.47Å; I1074-L1095 HydrophobicContact CG2-CB 4.15Å; I1074-A1099 HydrophobicContact CB-CB 4.01Å; I1074-A1099 HydrophobicContact CG2-CB 3.85Å |
| 1075 | I | 94.2 | Very high | 90 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.1 | -48.5 | 179.9 | -64.6 | 152.8 | 0 | 0 | 0 | 111.4 | L1071 Y1072 R1073 H1077 D1078 A1099 M1124 | L1071-I1075 WeakPolarHBondContact O-CD1 3.28Å; L1071-I1075 WeakPolarHBondContact O-CG1 3.4Å; L1071-I1075 PolarHBondContact O-N 3.42Å; Y1072-I1075 WeakPolarHBondContact O-CA 3.41Å; Y1072-I1075 WeakPolarHBondContact O-CB 3.21Å; Y1072-I1075 PolarHBondContact O-N 3.39Å; R1073-I1075 VanDerWaalsContact C-N 3.25Å; R1073-I1075 PolarHBondContact O-N 3.01Å; I1075-H1077 VanDerWaalsContact C-N 3.25Å; I1075-H1077 PolarHBondContact O-N 3.4Å; I1075-D1078 PolarHBondContact O-N 3.21Å; I1075-A1099 HydrophobicContact CD1-CB 4.14Å; I1075-A1099 HydrophobicContact CG1-CB 3.92Å; I1075-M1124 HydrophobicContact CD1-SD 3.47Å; I1075-M1124 WeakPolarHBondContact CD1-SD 3.38Å |
| 1076 | I | 92.8 | Very high | 89.6 | Confident | 68 Ų | 68 | 51.3 Ų | 51.3 | 35% | 0.349 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -79.7 | 0.7 | -177.1 | 63.5 | 147.9 | 0 | 0 | 0 | 114.8 | Y1072 | Y1072-I1076 HydrophobicContact CD1-CD1 4.38Å; Y1072-I1076 HydrophobicContact CD1-CG1 4.49Å; Y1072-I1076 HydrophobicContact CD2-CG2 3.86Å; Y1072-I1076 HydrophobicContact CE1-CD1 3.73Å; Y1072-I1076 HydrophobicContact CE1-CG1 4.24Å; Y1072-I1076 HydrophobicContact CE2-CB 4.45Å; Y1072-I1076 HydrophobicContact CE2-CD1 4.33Å; Y1072-I1076 HydrophobicContact CE2-CG1 4.29Å; Y1072-I1076 HydrophobicContact CE2-CG2 3.38Å; Y1072-I1076 WeakPolarHBondContact O-CG1 3.46Å; Y1072-I1076 PolarHBondContact O-N 3.49Å |
| 1077 | H | 92.8 | Very high | 89.4 | Confident | 46 Ų | 46 | 48.3 Ų | 48.3 | 21% | 0.213 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 31.4 | 171.4 | -57.1 | -15 | 0 | 0 | 0 | 110.4 | R1073 I1075 G1079 D1080 K1083 | R1073-H1077 WeakPolarHBondContact O-CB 3.47Å; R1073-H1077 PolarHBondContact O-CD2 2.77Å; R1073-H1077 VanDerWaalsContact O-CG 3.29Å; R1073-H1077 PolarHBondContact O-N 2.84Å; R1073-H1077 VanDerWaalsContact O-N 3.1Å; I1075-H1077 VanDerWaalsContact C-N 3.25Å; I1075-H1077 PolarHBondContact O-N 3.4Å; H1077-G1079 PolarHBondContact O-N 3.46Å; H1077-D1080 WeakPolarHBondContact CB-O 3.29Å; H1077-D1080 PolarHBondContact O-N 2.85Å; H1077-K1083 HydrophobicContact CB-CG 4.25Å; H1077-K1083 WeakPolarHBondContact CD2-CE 3.3Å; H1077-K1083 WeakPolarHBondContact CE1-CE 3.13Å; H1077-K1083 VanDerWaalsContact ND1-CE 3.32Å; H1077-K1083 WeakPolarHBondContact ND1-CE 3.46Å; H1077-K1083 VanDerWaalsContact NE2-CE 3.32Å; H1077-K1083 WeakPolarHBondContact NE2-CE 3.43Å |
| 1078 | D | 90.7 | Very high | 89.2 | Confident | 96 Ų | 96 | 50 Ų | 50 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 13.9 | 179.9 | -82.2 | -52.6 | 0 | 0 | 0 | 116.5 | I1075 M1092 R1096 | I1075-D1078 PolarHBondContact O-N 3.21Å; D1078-M1092 HydrophobicContact CB-CE 3.74Å; D1078-M1092 WeakPolarHBondContact O-CB 3.42Å; D1078-R1096 VanDerWaalsContact C-CD 3.48Å; D1078-R1096 VanDerWaalsContact C-CG 3.45Å; D1078-R1096 VanDerWaalsContact O-CD 3.31Å; D1078-R1096 WeakPolarHBondContact O-CD 3.29Å; D1078-R1096 WeakPolarHBondContact O-CG 3.38Å; D1078-R1096 PolarHBondContact O-NH1 3.39Å |
| 1079 | G | 89.8 | Confident | 89 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 107.2 | -13.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | I1074 H1077 L1095 | I1074-G1079 WeakPolarHBondContact O-CA 3.28Å; I1074-G1079 PolarHBondContact O-N 3.16Å; H1077-G1079 PolarHBondContact O-N 3.46Å; G1079-L1095 WeakPolarHBondContact O-CB 3.22Å; G1079-L1095 WeakPolarHBondContact O-CD1 3.44Å |
| 1080 | D | 89.7 | Confident | 88.9 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.032 | 27% | 0.266 | C | S | . | . | trans | -92.3 | 108 | 173.1 | -177.9 | -3 | 0 | 0 | 0 | 110.1 | H1077 T1082 K1083 S1084 G1085 L1087 M1092 | H1077-D1080 WeakPolarHBondContact CB-O 3.29Å; H1077-D1080 PolarHBondContact O-N 2.85Å; D1080-T1082 PolarHBondContact OD1-N 2.85Å; D1080-T1082 PolarHBondContact OD1-OG1 2.9Å; D1080-K1083 VanDerWaalsContact CG-N 3.26Å; D1080-K1083 PolarHBondContact OD1-N 2.9Å; D1080-K1083 VanDerWaalsContact OD2-CA 3.26Å; D1080-K1083 WeakPolarHBondContact OD2-CA 3.24Å; D1080-K1083 PolarHBondContact OD2-N 2.66Å; D1080-S1084 PolarHBondContact OD2-N 3.39Å; D1080-S1084 VanDerWaalsContact OD2-N 3.14Å; D1080-G1085 PolarHBondContact OD2-N 2.93Å; D1080-L1087 HydrophobicContact CB-CD1 4.13Å; D1080-M1092 HydrophobicContact CB-CE 4.02Å | ||
| 1081 | L | 86.6 | Confident | 88.7 | Confident | 42 Ų | 42 | 51.3 Ų | 51.3 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -74.1 | -27.1 | -177.6 | -177.6 | 59.6 | 0 | 0 | 0 | 113.3 | L992 L1070 R1073 I1074 | L992-L1081 HydrophobicContact CB-CD2 4.38Å; L1070-L1081 HydrophobicContact CD1-CD1 3.92Å; L1070-L1081 HydrophobicContact CD1-CD2 3.71Å; L1070-L1081 HydrophobicContact CD1-CG 4.5Å; R1073-L1081 HydrophobicContact CB-CD1 4.13Å; I1074-L1081 HydrophobicContact CG1-CB 4.41Å; I1074-L1081 HydrophobicContact CG1-CD1 4.05Å; I1074-L1081 HydrophobicContact CG1-CD2 4.47Å |
| 1082 | T | 83 | Confident | 88.6 | Confident | 56 Ų | 56 | 52.3 Ų | 52.3 | 34% | 0.344 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -96.5 | -17.5 | -179.8 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | E995 D1080 S1084 | E995-T1082 VanDerWaalsContact OE1-CB 3.29Å; E995-T1082 WeakPolarHBondContact OE1-CB 3.45Å; E995-T1082 PolarHBondContact OE1-OG1 3.46Å; D1080-T1082 PolarHBondContact OD1-N 2.85Å; D1080-T1082 PolarHBondContact OD1-OG1 2.9Å; T1082-S1084 VanDerWaalsContact C-N 3.26Å; T1082-S1084 PolarHBondContact O-N 3.43Å; T1082-S1084 PolarHBondContact OG1-OG 2.98Å |
| 1083 | K | 81.9 | Confident | 88.6 | Confident | 135 Ų | 135 | 50.3 Ų | 50.3 | 59% | 0.587 | 26% | 0.26 | S | S | * | . | trans | 63.4 | 22.6 | -176.8 | -53.6 | -177.6 | 179 | -178.4 | 0 | 114.6 | H1077 D1080 G1085 | H1077-K1083 HydrophobicContact CB-CG 4.25Å; H1077-K1083 WeakPolarHBondContact CD2-CE 3.3Å; H1077-K1083 WeakPolarHBondContact CE1-CE 3.13Å; H1077-K1083 VanDerWaalsContact ND1-CE 3.32Å; H1077-K1083 WeakPolarHBondContact ND1-CE 3.46Å; H1077-K1083 VanDerWaalsContact NE2-CE 3.32Å; H1077-K1083 WeakPolarHBondContact NE2-CE 3.43Å; D1080-K1083 VanDerWaalsContact CG-N 3.26Å; D1080-K1083 PolarHBondContact OD1-N 2.9Å; D1080-K1083 VanDerWaalsContact OD2-CA 3.26Å; D1080-K1083 WeakPolarHBondContact OD2-CA 3.24Å; D1080-K1083 PolarHBondContact OD2-N 2.66Å; K1083-G1085 PolarHBondContact O-N 2.71Å | ||
| 1084 | S | 80.4 | Confident | 88.6 | Confident | 48 Ų | 48 | 45.7 Ų | 45.7 | 34% | 0.336 | 24% | 0.242 | S | C | . | . | trans | -75.7 | -11 | 177 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | E995 D1080 T1082 K1086 | E995-S1084 VanDerWaalsContact CD-OG 3.31Å; E995-S1084 WeakPolarHBondContact OE1-CB 3.27Å; E995-S1084 PolarHBondContact OE1-OG 2.97Å; E995-S1084 PolarHBondContact OE2-OG 3.41Å; D1080-S1084 PolarHBondContact OD2-N 3.39Å; D1080-S1084 VanDerWaalsContact OD2-N 3.14Å; T1082-S1084 VanDerWaalsContact C-N 3.26Å; T1082-S1084 PolarHBondContact O-N 3.43Å; T1082-S1084 PolarHBondContact OG1-OG 2.98Å; S1084-K1086 PolarHBondContact O-N 3.17Å; S1084-K1086 WeakPolarHBondContact OG-CD 3.27Å; S1084-K1086 WeakPolarHBondContact OG-CG 3.25Å | ||
| 1085 | G | 80.4 | Confident | 88.6 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 63% | 0.629 | 24% | 0.243 | S | C | * | . | S | Bend | trans | 73.7 | 11.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1080 K1083 | D1080-G1085 PolarHBondContact OD2-N 2.93Å; K1083-G1085 PolarHBondContact O-N 2.71Å |
| 1086 | K | 81.2 | Confident | 88.7 | Confident | 90 Ų | 90 | 45.8 Ų | 45.8 | 39% | 0.391 | 24% | 0.242 | S | C | . | . | trans | -84.6 | -15.4 | -176 | -62.9 | 176.2 | 179.7 | -175.1 | 0 | 114.1 | E995 P996 D997 S1084 | E995-K1086 HydrophobicContact CB-CD 4.44Å; E995-K1086 WeakPolarHBondContact OE2-CD 3.47Å; E995-K1086 WeakPolarHBondContact OE2-CE 3.41Å; E995-K1086 IonicContact OE2-NZ 2.76Å; E995-K1086 PolarHBondContact OE2-NZ 2.92Å; P996-K1086 HydrophobicContact CG-CB 4.1Å; D997-K1086 VanDerWaalsContact OD2-CD 3.23Å; D997-K1086 WeakPolarHBondContact OD2-CD 3.37Å; D997-K1086 WeakPolarHBondContact OD2-CE 3.22Å; D997-K1086 IonicContact OD2-NZ 3.52Å; D997-K1086 PolarHBondContact OD2-NZ 2.99Å; S1084-K1086 PolarHBondContact O-N 3.17Å; S1084-K1086 WeakPolarHBondContact OG-CD 3.27Å; S1084-K1086 WeakPolarHBondContact OG-CG 3.25Å | ||
| 1087 | L | 85.6 | Confident | 88.9 | Confident | 19 Ų | 19 | 43.4 Ų | 43.4 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -81.7 | 141.2 | 177.3 | -79.8 | 157.6 | 0 | 0 | 0 | 111 | D1080 E1091 M1092 L1095 | D1080-L1087 HydrophobicContact CB-CD1 4.13Å; L1087-E1091 HydrophobicContact CD2-CB 4.22Å; L1087-M1092 HydrophobicContact CB-CG 3.78Å; L1087-L1095 HydrophobicContact CD1-CD1 3.9Å; L1087-L1095 HydrophobicContact CD2-CD1 4.23Å |
| 1088 | S | 87.9 | Confident | 89 | Confident | 48 Ų | 48 | 41.4 Ų | 41.4 | 34% | 0.336 | 22% | 0.221 | S | C | . | . | trans | -71.5 | 147.1 | 174.3 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | G1090 E1091 M1092 | S1088-G1090 PolarHBondContact O-N 3.03Å; S1088-E1091 WeakPolarHBondContact CB-OE2 3.42Å; S1088-E1091 PolarHBondContact N-OE2 2.82Å; S1088-E1091 WeakPolarHBondContact O-CA 3.19Å; S1088-E1091 WeakPolarHBondContact O-CB 3.46Å; S1088-E1091 PolarHBondContact O-N 3.33Å; S1088-E1091 VanDerWaalsContact OG-CG 3.23Å; S1088-E1091 WeakPolarHBondContact OG-CG 3.28Å; S1088-E1091 PolarHBondContact OG-N 3.19Å; S1088-E1091 PolarHBondContact OG-OE2 3.46Å; S1088-M1092 WeakPolarHBondContact O-CG 3.01Å; S1088-M1092 PolarHBondContact O-N 2.59Å | ||
| 1089 | Y | 88.7 | Confident | 89.3 | Confident | 156 Ų | 156 | 36.9 Ų | 36.9 | 61% | 0.612 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -51 | -36.3 | 178.1 | -71.6 | -68.5 | 0 | 0 | 0 | 113.5 | M1092 S1093 | Y1089-M1092 HydrophobicContact CD1-SD 4.36Å; Y1089-S1093 WeakPolarHBondContact O-CB 3.43Å; Y1089-S1093 PolarHBondContact O-N 3.34Å; Y1089-S1093 PolarHBondContact O-OG 3.39Å; Y1089-S1093 VanDerWaalsContact O-OG 3.05Å |
| 1090 | G | 89.9 | Confident | 89.7 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -75.1 | -23.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | S1030 S1088 | S1030-G1090 VanDerWaalsContact N-CA 3.27Å; S1030-G1090 PolarHBondContact N-O 2.66Å; S1030-G1090 VanDerWaalsContact OG-C 3.25Å; S1030-G1090 VanDerWaalsContact OG-CA 3.25Å; S1030-G1090 WeakPolarHBondContact OG-CA 3.45Å; S1088-G1090 PolarHBondContact O-N 3.03Å |
| 1091 | E | 90.2 | Very high | 90 | Very high | 18 Ų | 18 | 38.1 Ų | 38.1 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -80.4 | -43.8 | 168.8 | -73.1 | 173.3 | 112.9 | 0 | 0 | 111.3 | V1035 S1036 T1039 L1087 S1088 S1093 R1094 L1095 | V1035-E1091 HydrophobicContact CG1-CG 4.41Å; S1036-E1091 VanDerWaalsContact CB-OE1 3.3Å; S1036-E1091 WeakPolarHBondContact CB-OE1 3.23Å; S1036-E1091 PolarHBondContact N-OE1 2.99Å; S1036-E1091 VanDerWaalsContact N-OE1 3.13Å; S1036-E1091 PolarHBondContact OG-OE1 3.48Å; T1039-E1091 VanDerWaalsContact CB-OE1 3.23Å; T1039-E1091 WeakPolarHBondContact CB-OE1 3.28Å; T1039-E1091 HydrophobicContact CG2-CB 3.91Å; T1039-E1091 HydrophobicContact CG2-CG 3.94Å; T1039-E1091 PolarHBondContact OG1-OE1 3.16Å; L1087-E1091 HydrophobicContact CD2-CB 4.22Å; S1088-E1091 WeakPolarHBondContact CB-OE2 3.42Å; S1088-E1091 PolarHBondContact N-OE2 2.82Å; S1088-E1091 WeakPolarHBondContact O-CA 3.19Å; S1088-E1091 WeakPolarHBondContact O-CB 3.46Å; S1088-E1091 PolarHBondContact O-N 3.33Å; S1088-E1091 VanDerWaalsContact OG-CG 3.23Å; S1088-E1091 WeakPolarHBondContact OG-CG 3.28Å; S1088-E1091 PolarHBondContact OG-N 3.19Å; S1088-E1091 PolarHBondContact OG-OE2 3.46Å; E1091-S1093 VanDerWaalsContact C-N 3.31Å; E1091-S1093 PolarHBondContact O-N 3.23Å; E1091-R1094 CarbonylContact O-C 3.58Å; E1091-R1094 WeakPolarHBondContact O-CA 3.46Å; E1091-R1094 WeakPolarHBondContact O-CB 3.35Å; E1091-R1094 PolarHBondContact O-N 2.88Å; E1091-L1095 PolarHBondContact O-N 2.97Å |
| 1092 | M | 92.7 | Very high | 90.5 | Very high | 26 Ų | 26 | 36.4 Ų | 36.4 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -51.5 | -48.7 | 171.8 | -71.1 | 176.5 | 76 | 0 | 0 | 111.1 | D1078 D1080 L1087 S1088 Y1089 R1094 L1095 R1096 | D1078-M1092 HydrophobicContact CB-CE 3.74Å; D1078-M1092 WeakPolarHBondContact O-CB 3.42Å; D1080-M1092 HydrophobicContact CB-CE 4.02Å; L1087-M1092 HydrophobicContact CB-CG 3.78Å; S1088-M1092 WeakPolarHBondContact O-CG 3.01Å; S1088-M1092 PolarHBondContact O-N 2.59Å; Y1089-M1092 HydrophobicContact CD1-SD 4.36Å; M1092-R1094 VanDerWaalsContact C-N 3.29Å; M1092-R1094 PolarHBondContact O-N 3.16Å; M1092-L1095 PolarHBondContact O-N 2.95Å; M1092-L1095 VanDerWaalsContact O-N 3.08Å; M1092-R1096 PolarHBondContact O-N 3.16Å |
| 1093 | S | 94.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58 | -35.4 | 173.7 | -67 | 0 | 0 | 0 | 0 | 113.8 | S1028 Y1089 E1091 R1096 L1097 V1135 | S1028-S1093 VanDerWaalsContact O-CB 3.23Å; S1028-S1093 WeakPolarHBondContact O-CB 3.31Å; S1028-S1093 PolarHBondContact O-OG 3.29Å; Y1089-S1093 WeakPolarHBondContact O-CB 3.43Å; Y1089-S1093 PolarHBondContact O-N 3.34Å; Y1089-S1093 PolarHBondContact O-OG 3.39Å; Y1089-S1093 VanDerWaalsContact O-OG 3.05Å; E1091-S1093 VanDerWaalsContact C-N 3.31Å; E1091-S1093 PolarHBondContact O-N 3.23Å; S1093-R1096 PolarHBondContact OG-NH2 3.44Å; S1093-L1097 WeakPolarHBondContact O-CB 3.47Å; S1093-L1097 PolarHBondContact O-N 2.69Å; S1093-V1135 VanDerWaalsContact O-CG2 3.24Å; S1093-V1135 WeakPolarHBondContact O-CG2 3.27Å |
| 1094 | R | 93.2 | Very high | 91.8 | Very high | 19 Ų | 19 | 27.5 Ų | 27.5 | 7% | 0.072 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.9 | -34.8 | 174.7 | -73.1 | 179.5 | 175.9 | -113.3 | -5.2 | 112.5 | W1029 S1030 D1032 I1043 E1091 M1092 L1097 V1098 | W1029-R1094 HydrophobicContact CE3-CG 4.17Å; W1029-R1094 HydrophobicContact CH2-CG 3.7Å; W1029-R1094 HydrophobicContact CZ2-CG 4.26Å; W1029-R1094 HydrophobicContact CZ3-CG 3.64Å; S1030-R1094 VanDerWaalsContact O-CZ 3.23Å; S1030-R1094 PolarHBondContact O-NE 3.44Å; S1030-R1094 PolarHBondContact O-NH2 2.69Å; D1032-R1094 VanDerWaalsContact CG-NH2 3.31Å; D1032-R1094 IonicContact OD1-CZ 2.8Å; D1032-R1094 IonicContact OD1-NH1 3.63Å; D1032-R1094 PolarHBondContact OD1-NH1 3.01Å; D1032-R1094 IonicContact OD1-NH2 2.75Å; D1032-R1094 PolarHBondContact OD1-NH2 3.39Å; D1032-R1094 IonicContact OD2-CZ 3.16Å; D1032-R1094 IonicContact OD2-NH1 2.73Å; D1032-R1094 PolarHBondContact OD2-NH1 3Å; D1032-R1094 IonicContact OD2-NH2 3.19Å; I1043-R1094 HydrophobicContact CD1-CB 3.84Å; E1091-R1094 CarbonylContact O-C 3.58Å; E1091-R1094 WeakPolarHBondContact O-CA 3.46Å; E1091-R1094 WeakPolarHBondContact O-CB 3.35Å; E1091-R1094 PolarHBondContact O-N 2.88Å; M1092-R1094 VanDerWaalsContact C-N 3.29Å; M1092-R1094 PolarHBondContact O-N 3.16Å; R1094-L1097 PolarHBondContact O-N 3.03Å; R1094-V1098 WeakPolarHBondContact O-CG1 3.42Å; R1094-V1098 PolarHBondContact O-N 2.82Å |
| 1095 | L | 94.7 | Very high | 92.4 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.8 | -44.5 | 175.6 | -68.8 | 172.9 | 0 | 0 | 0 | 111.4 | T1039 K1042 I1043 I1046 I1074 G1079 L1087 E1091 M1092 L1097 V1098 A1099 | T1039-L1095 HydrophobicContact CG2-CD2 4.4Å; T1039-L1095 HydrophobicContact CG2-CG 4.34Å; K1042-L1095 HydrophobicContact CB-CD2 3.86Å; I1043-L1095 HydrophobicContact CG1-CD2 4.1Å; I1046-L1095 HydrophobicContact CD1-CD2 4.44Å; I1074-L1095 HydrophobicContact CG2-CB 4.15Å; G1079-L1095 WeakPolarHBondContact O-CB 3.22Å; G1079-L1095 WeakPolarHBondContact O-CD1 3.44Å; L1087-L1095 HydrophobicContact CD1-CD1 3.9Å; L1087-L1095 HydrophobicContact CD2-CD1 4.23Å; E1091-L1095 PolarHBondContact O-N 2.97Å; M1092-L1095 PolarHBondContact O-N 2.95Å; M1092-L1095 VanDerWaalsContact O-N 3.08Å; L1095-L1097 PolarHBondContact O-N 2.77Å; L1095-V1098 VanDerWaalsContact O-CG1 3.29Å; L1095-V1098 WeakPolarHBondContact O-CG1 3.41Å; L1095-V1098 PolarHBondContact O-N 2.88Å; L1095-A1099 WeakPolarHBondContact O-CB 3.42Å; L1095-A1099 PolarHBondContact O-N 2.99Å |
| 1096 | R | 96.3 | Very high | 93 | Very high | 15 Ų | 15 | 24.7 Ų | 24.7 | 6% | 0.057 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.6 | -47.7 | 169.1 | -63.5 | -165.2 | -55.3 | -81.1 | 2.4 | 111.7 | D1078 M1092 S1093 V1098 A1099 A1100 I1127 D1130 | D1078-R1096 VanDerWaalsContact C-CD 3.48Å; D1078-R1096 VanDerWaalsContact C-CG 3.45Å; D1078-R1096 VanDerWaalsContact O-CD 3.31Å; D1078-R1096 WeakPolarHBondContact O-CD 3.29Å; D1078-R1096 WeakPolarHBondContact O-CG 3.38Å; D1078-R1096 PolarHBondContact O-NH1 3.39Å; M1092-R1096 PolarHBondContact O-N 3.16Å; S1093-R1096 PolarHBondContact OG-NH2 3.44Å; R1096-V1098 PolarHBondContact O-N 3.35Å; R1096-A1099 PolarHBondContact O-N 2.99Å; R1096-A1100 VanDerWaalsContact O-CB 3.22Å; R1096-A1100 WeakPolarHBondContact O-CB 3.48Å; R1096-A1100 PolarHBondContact O-N 3.38Å; R1096-I1127 HydrophobicContact CB-CD1 4Å; R1096-D1130 IonicContact CZ-OD1 3.56Å; R1096-D1130 IonicContact CZ-OD2 2.72Å; R1096-D1130 VanDerWaalsContact CZ-OD2 3.31Å; R1096-D1130 IonicContact NE-OD1 3.74Å; R1096-D1130 IonicContact NE-OD2 2.73Å; R1096-D1130 PolarHBondContact NE-OD2 3.3Å; R1096-D1130 VanDerWaalsContact NH2-CG 3.32Å; R1096-D1130 IonicContact NH2-OD1 2.7Å; R1096-D1130 PolarHBondContact NH2-OD1 3.19Å; R1096-D1130 IonicContact NH2-OD2 2.95Å; R1096-D1130 PolarHBondContact NH2-OD2 3.04Å |
| 1097 | L | 96.3 | Very high | 93.5 | Very high | 19 Ų | 19 | 20.5 Ų | 20.5 | 10% | 0.099 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | -179.4 | -180 | 61.9 | 0 | 0 | 0 | 113.4 | W1029 S1093 R1094 L1095 T1101 V1135 H1138 F1139 | W1029-L1097 HydrophobicContact CH2-CD2 3.77Å; W1029-L1097 HydrophobicContact CZ3-CD2 4.16Å; S1093-L1097 WeakPolarHBondContact O-CB 3.47Å; S1093-L1097 PolarHBondContact O-N 2.69Å; R1094-L1097 PolarHBondContact O-N 3.03Å; L1095-L1097 PolarHBondContact O-N 2.77Å; L1097-T1101 HydrophobicContact CD1-CG2 3.74Å; L1097-T1101 HydrophobicContact CG-CG2 4.42Å; L1097-T1101 WeakPolarHBondContact O-CB 3.33Å; L1097-T1101 WeakPolarHBondContact O-CG2 3.4Å; L1097-T1101 PolarHBondContact O-N 3.43Å; L1097-T1101 PolarHBondContact O-OG1 2.98Å; L1097-V1135 HydrophobicContact CB-CG1 4.16Å; L1097-V1135 HydrophobicContact CB-CG2 4.24Å; L1097-V1135 HydrophobicContact CD1-CG1 4.22Å; L1097-H1138 HydrophobicContact CD1-CB 3.68Å; L1097-H1138 HydrophobicContact CD2-CB 3.76Å; L1097-H1138 HydrophobicContact CG-CB 4.36Å; L1097-F1139 HydrophobicContact CD1-CB 4.44Å |
| 1098 | V | 95.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.024 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.7 | -38.6 | 177.8 | 65.3 | 0 | 0 | 0 | 0 | 111.6 | I1043 I1046 K1047 R1094 L1095 R1096 S1102 | I1043-V1098 HydrophobicContact CG1-CG1 4.1Å; I1043-V1098 HydrophobicContact CG2-CB 4.42Å; I1043-V1098 HydrophobicContact CG2-CG2 4.32Å; I1046-V1098 HydrophobicContact CB-CG1 4.5Å; I1046-V1098 HydrophobicContact CB-CG2 4.11Å; I1046-V1098 HydrophobicContact CD1-CG1 3.7Å; I1046-V1098 HydrophobicContact CG2-CG1 4.44Å; I1046-V1098 HydrophobicContact CG2-CG2 3.87Å; K1047-V1098 HydrophobicContact CD-CG2 4.18Å; K1047-V1098 VanDerWaalsContact CE-CG2 3.43Å; K1047-V1098 HydrophobicContact CG-CG2 3.78Å; R1094-V1098 WeakPolarHBondContact O-CG1 3.42Å; R1094-V1098 PolarHBondContact O-N 2.82Å; L1095-V1098 VanDerWaalsContact O-CG1 3.29Å; L1095-V1098 WeakPolarHBondContact O-CG1 3.41Å; L1095-V1098 PolarHBondContact O-N 2.88Å; R1096-V1098 PolarHBondContact O-N 3.35Å; V1098-S1102 WeakPolarHBondContact O-CB 3.26Å; V1098-S1102 PolarHBondContact O-N 3.27Å; V1098-S1102 PolarHBondContact O-OG 3.39Å |
| 1099 | A | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.3 | -50.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1071 I1074 I1075 L1095 R1096 T1101 S1102 W1103 | L1071-A1099 HydrophobicContact CB-CB 4.34Å; L1071-A1099 HydrophobicContact CD2-CB 4.3Å; I1074-A1099 HydrophobicContact CB-CB 4.01Å; I1074-A1099 HydrophobicContact CG2-CB 3.85Å; I1075-A1099 HydrophobicContact CD1-CB 4.14Å; I1075-A1099 HydrophobicContact CG1-CB 3.92Å; L1095-A1099 WeakPolarHBondContact O-CB 3.42Å; L1095-A1099 PolarHBondContact O-N 2.99Å; R1096-A1099 PolarHBondContact O-N 2.99Å; A1099-T1101 PolarHBondContact O-N 2.89Å; A1099-S1102 WeakPolarHBondContact O-CB 3.39Å; A1099-S1102 PolarHBondContact O-N 3.2Å; A1099-W1103 PolarHBondContact O-N 3.44Å |
| 1100 | A | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.6 | -40.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1096 W1103 L1104 M1124 I1127 F1139 | R1096-A1100 VanDerWaalsContact O-CB 3.22Å; R1096-A1100 WeakPolarHBondContact O-CB 3.48Å; R1096-A1100 PolarHBondContact O-N 3.38Å; A1100-W1103 WeakPolarHBondContact O-CB 3.28Å; A1100-L1104 WeakPolarHBondContact O-CG 3.48Å; A1100-L1104 PolarHBondContact O-N 3.48Å; A1100-M1124 HydrophobicContact CB-CE 3.81Å; A1100-M1124 HydrophobicContact CB-SD 4.11Å; A1100-M1124 WeakPolarHBondContact O-CE 3.47Å; A1100-I1127 HydrophobicContact CB-CG1 3.83Å; A1100-I1127 HydrophobicContact CB-CG2 4.22Å; A1100-F1139 HydrophobicContact CB-CD2 3.92Å; A1100-F1139 HydrophobicContact CB-CE2 4.17Å |
| 1101 | T | 96.5 | Very high | 93.2 | Very high | 34 Ų | 34 | 21.9 Ų | 21.9 | 21% | 0.209 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -79.3 | -19.4 | 177.5 | 55 | 0 | 0 | 0 | 0 | 113.6 | L1097 A1099 K1105 K1142 | L1097-T1101 HydrophobicContact CD1-CG2 3.74Å; L1097-T1101 HydrophobicContact CG-CG2 4.42Å; L1097-T1101 WeakPolarHBondContact O-CB 3.33Å; L1097-T1101 WeakPolarHBondContact O-CG2 3.4Å; L1097-T1101 PolarHBondContact O-N 3.43Å; L1097-T1101 PolarHBondContact O-OG1 2.98Å; A1099-T1101 PolarHBondContact O-N 2.89Å; T1101-K1105 PolarHBondContact O-N 3.2Å; T1101-K1142 HydrophobicContact CG2-CB 4.13Å; T1101-K1142 HydrophobicContact CG2-CG 3.9Å |
| 1102 | S | 96.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 21.2 Ų | 21.2 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -76.6 | -41 | 170.2 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | T1050 V1098 A1099 L1104 K1105 L1106 | T1050-S1102 VanDerWaalsContact OG1-CB 3.26Å; T1050-S1102 WeakPolarHBondContact OG1-CB 3.15Å; T1050-S1102 PolarHBondContact OG1-OG 3.31Å; V1098-S1102 WeakPolarHBondContact O-CB 3.26Å; V1098-S1102 PolarHBondContact O-N 3.27Å; V1098-S1102 PolarHBondContact O-OG 3.39Å; A1099-S1102 WeakPolarHBondContact O-CB 3.39Å; A1099-S1102 PolarHBondContact O-N 3.2Å; S1102-L1104 PolarHBondContact O-N 3.08Å; S1102-K1105 WeakPolarHBondContact O-CA 3.39Å; S1102-K1105 WeakPolarHBondContact O-CB 3.47Å; S1102-K1105 PolarHBondContact O-N 3.34Å; S1102-L1106 PolarHBondContact O-N 3.35Å |
| 1103 | W | 96.1 | Very high | 93 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -53.1 | -51.3 | 170.3 | -171.7 | -76.1 | 0 | 0 | 0 | 111.4 | I1068 L1071 A1099 A1100 K1105 L1106 A1107 I1116 W1120 M1124 Y1156 | I1068-W1103 HydrophobicContact CB-CZ3 4.48Å; I1068-W1103 HydrophobicContact CG2-CE3 4.02Å; I1068-W1103 HydrophobicContact CG2-CH2 3.49Å; I1068-W1103 VanDerWaalsContact CG2-CH2 3.49Å; I1068-W1103 HydrophobicContact CG2-CZ2 4.26Å; I1068-W1103 HydrophobicContact CG2-CZ3 3.36Å; I1068-W1103 WeakPolarHBondContact O-CZ3 3.25Å; L1071-W1103 HydrophobicContact CB-CE3 4.06Å; L1071-W1103 HydrophobicContact CD1-CB 4.42Å; A1099-W1103 PolarHBondContact O-N 3.44Å; A1100-W1103 WeakPolarHBondContact O-CB 3.28Å; W1103-K1105 PolarHBondContact O-N 2.82Å; W1103-L1106 PolarHBondContact O-N 3.08Å; W1103-L1106 VanDerWaalsContact O-N 3.16Å; W1103-A1107 WeakPolarHBondContact O-CB 3.18Å; W1103-A1107 PolarHBondContact O-N 2.91Å; W1103-I1116 HydrophobicContact CH2-CG2 4.18Å; W1103-I1116 HydrophobicContact CZ2-CD1 4.18Å; W1103-I1116 HydrophobicContact CZ2-CG1 4.27Å; W1103-I1116 HydrophobicContact CZ2-CG2 3.57Å; W1103-W1120 HydrophobicContact CH2-CB 3.72Å; W1103-W1120 HydrophobicContact CH2-CE3 4.24Å; W1103-W1120 HydrophobicContact CZ2-CB 4.4Å; W1103-M1124 HydrophobicContact CB-CE 4Å; W1103-M1124 HydrophobicContact CD2-CG 4.11Å; W1103-M1124 HydrophobicContact CG-CE 3.96Å; W1103-M1124 HydrophobicContact CG-CG 4.24Å; W1103-M1124 HydrophobicContact CG-SD 4.44Å; W1103-M1124 HydrophobicContact CZ2-CB 4.38Å; W1103-M1124 HydrophobicContact CZ2-CG 4.36Å; W1103-Y1156 AromaticContact CD1-CE1 3.95Å; W1103-Y1156 AromaticContact NE1-CE1 3.92Å; W1103-Y1156 AromaticContact NE1-CZ 4Å; W1103-Y1156 PolarHBondContact NE1-OH 2.96Å; W1103-Y1156 VanDerWaalsContact NE1-OH 3.17Å |
| 1104 | L | 96 | Very high | 92.6 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.8 | -3 | 174.1 | -67.3 | -175.5 | 0 | 0 | 0 | 115 | A1100 S1102 R1108 F1139 K1142 L1143 L1152 Y1156 | A1100-L1104 WeakPolarHBondContact O-CG 3.48Å; A1100-L1104 PolarHBondContact O-N 3.48Å; S1102-L1104 PolarHBondContact O-N 3.08Å; L1104-R1108 PolarHBondContact O-NE 3.24Å; L1104-F1139 HydrophobicContact CD1-CD2 3.76Å; L1104-F1139 HydrophobicContact CD1-CE2 3.26Å; L1104-F1139 HydrophobicContact CD1-CZ 3.82Å; L1104-F1139 HydrophobicContact CD2-CE2 4.26Å; L1104-F1139 HydrophobicContact CD2-CZ 4.37Å; L1104-F1139 HydrophobicContact CG-CE2 3.71Å; L1104-F1139 HydrophobicContact CG-CZ 4.28Å; L1104-K1142 HydrophobicContact CD1-CB 4.23Å; L1104-L1143 HydrophobicContact CD1-CB 3.98Å; L1104-L1143 HydrophobicContact CD1-CD1 4.37Å; L1104-L1143 HydrophobicContact CD2-CD1 4Å; L1104-L1152 HydrophobicContact CD2-CD1 4Å; L1104-L1152 HydrophobicContact CD2-CD2 4.42Å; L1104-Y1156 HydrophobicContact CD2-CD1 3.51Å; L1104-Y1156 HydrophobicContact CD2-CE1 3.72Å |
| 1105 | K | 93.6 | Very high | 92.4 | Very high | 50 Ų | 50 | 25.7 Ų | 25.7 | 22% | 0.217 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -99.3 | -40.3 | 170.5 | -161.6 | -167.9 | 174.1 | -143.1 | 0 | 111.4 | T1050 N1051 V1054 T1101 S1102 W1103 | T1050-K1105 HydrophobicContact CG2-CB 4.12Å; T1050-K1105 HydrophobicContact CG2-CD 4.07Å; N1051-K1105 PolarHBondContact OD1-NZ 3.17Å; V1054-K1105 HydrophobicContact CG2-CD 4.19Å; V1054-K1105 HydrophobicContact CG2-CG 4.2Å; T1101-K1105 PolarHBondContact O-N 3.2Å; S1102-K1105 WeakPolarHBondContact O-CA 3.39Å; S1102-K1105 WeakPolarHBondContact O-CB 3.47Å; S1102-K1105 PolarHBondContact O-N 3.34Å; W1103-K1105 PolarHBondContact O-N 2.82Å |
| 1106 | L | 92.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 174.1 | -64.1 | 177.4 | 0 | 0 | 0 | 111.4 | T1050 L1053 V1054 I1067 I1068 L1071 S1102 W1103 R1108 S1109 Y1112 | T1050-L1106 HydrophobicContact CG2-CD2 4.15Å; T1050-L1106 HydrophobicContact CG2-CG 4.16Å; L1053-L1106 HydrophobicContact CB-CD2 3.83Å; L1053-L1106 HydrophobicContact CD1-CD1 4.4Å; L1053-L1106 HydrophobicContact CD1-CD2 3.99Å; V1054-L1106 HydrophobicContact CG2-CD2 4.07Å; I1067-L1106 HydrophobicContact CG2-CD1 4.48Å; I1068-L1106 HydrophobicContact CG1-CD1 3.9Å; L1071-L1106 HydrophobicContact CD1-CD1 3.95Å; S1102-L1106 PolarHBondContact O-N 3.35Å; W1103-L1106 PolarHBondContact O-N 3.08Å; W1103-L1106 VanDerWaalsContact O-N 3.16Å; L1106-R1108 PolarHBondContact O-N 2.96Å; L1106-S1109 PolarHBondContact O-N 3.36Å; L1106-Y1112 HydrophobicContact CB-CD2 4.37Å; L1106-Y1112 HydrophobicContact CD2-CD2 4.17Å; L1106-Y1112 HydrophobicContact CD2-CE2 4.39Å |
| 1107 | A | 92.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 11.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115.5 | W1103 V1113 I1116 L1152 P1153 Y1156 | W1103-A1107 WeakPolarHBondContact O-CB 3.18Å; W1103-A1107 PolarHBondContact O-N 2.91Å; A1107-V1113 HydrophobicContact CB-CG2 4.23Å; A1107-V1113 WeakPolarHBondContact O-CG2 3.34Å; A1107-I1116 HydrophobicContact CB-CD1 4.3Å; A1107-L1152 HydrophobicContact CB-CD2 3.98Å; A1107-P1153 WeakPolarHBondContact O-CD 3.19Å; A1107-Y1156 HydrophobicContact CB-CE1 4.25Å; A1107-Y1156 HydrophobicContact CB-CE2 3.92Å; A1107-Y1156 WeakPolarHBondContact CB-OH 3.24Å |
| 1108 | R | 90.3 | Very high | 91.9 | Very high | 90 Ų | 90 | 31.1 Ų | 31.1 | 34% | 0.34 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -13 | 170.4 | -53.1 | -177.6 | -171.7 | -167.8 | -5.3 | 112.9 | L1104 L1106 S1151 L1152 | L1104-R1108 PolarHBondContact O-NE 3.24Å; L1106-R1108 PolarHBondContact O-N 2.96Å; R1108-S1151 VanDerWaalsContact CA-O 3.27Å; R1108-S1151 WeakPolarHBondContact CA-O 3.31Å; R1108-S1151 VanDerWaalsContact CB-O 3.3Å; R1108-S1151 WeakPolarHBondContact CB-O 3.3Å; R1108-S1151 WeakPolarHBondContact CG-O 3.37Å; R1108-L1152 HydrophobicContact CG-CD2 4Å; R1108-L1152 HydrophobicContact CG-CG 4.4Å |
| 1109 | S | 87.5 | Confident | 91.7 | Very high | 38 Ų | 38 | 32.2 Ų | 32.2 | 27% | 0.266 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -95.9 | 122.3 | 167.8 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | L1106 A1111 Y1112 V1113 | L1106-S1109 PolarHBondContact O-N 3.36Å; S1109-A1111 VanDerWaalsContact C-N 3.27Å; S1109-A1111 PolarHBondContact O-N 3.09Å; S1109-Y1112 PolarHBondContact O-N 2.89Å; S1109-V1113 PolarHBondContact O-N 2.87Å |
| 1110 | Q | 84.3 | Confident | 91.6 | Very high | 115 Ų | 115 | 33.1 Ų | 33.1 | 54% | 0.537 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.9 | -39 | -178.4 | -174.2 | 58.9 | 44 | 0 | 0 | 111.9 | Y1112 V1113 E1114 | Q1110-Y1112 PolarHBondContact O-N 3.5Å; Q1110-V1113 WeakPolarHBondContact O-CB 3.44Å; Q1110-V1113 PolarHBondContact O-N 3.22Å; Q1110-V1113 VanDerWaalsContact O-N 3.1Å; Q1110-E1114 PolarHBondContact O-N 3.29Å |
| 1111 | A | 84.1 | Confident | 91.5 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.2 | -24 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1059 S1109 C1115 | E1059-A1111 HydrophobicContact CG-CB 3.97Å; S1109-A1111 VanDerWaalsContact C-N 3.27Å; S1109-A1111 PolarHBondContact O-N 3.09Å; A1111-C1115 PolarHBondContact O-SG 3.04Å |
| 1112 | Y | 89.5 | Confident | 91.4 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -90.7 | -24.3 | 177.1 | -59.1 | -10.4 | 0 | 0 | 0 | 112.3 | L1053 V1064 L1106 S1109 Q1110 E1114 C1115 | L1053-Y1112 HydrophobicContact CB-CE2 4.24Å; L1053-Y1112 WeakPolarHBondContact O-CE2 3.02Å; L1053-Y1112 PolarHBondContact O-OH 2.89Å; V1064-Y1112 HydrophobicContact CB-CD1 4.36Å; V1064-Y1112 HydrophobicContact CG1-CD1 3.78Å; V1064-Y1112 HydrophobicContact CG1-CE1 4.47Å; V1064-Y1112 HydrophobicContact CG1-CG 3.83Å; V1064-Y1112 HydrophobicContact CG2-CD1 3.77Å; V1064-Y1112 HydrophobicContact CG2-CE1 3.64Å; V1064-Y1112 HydrophobicContact CG2-CG 4.44Å; L1106-Y1112 HydrophobicContact CB-CD2 4.37Å; L1106-Y1112 HydrophobicContact CD2-CD2 4.17Å; L1106-Y1112 HydrophobicContact CD2-CE2 4.39Å; S1109-Y1112 PolarHBondContact O-N 2.89Å; Q1110-Y1112 PolarHBondContact O-N 3.5Å; Y1112-E1114 VanDerWaalsContact C-N 3.32Å; Y1112-C1115 WeakPolarHBondContact O-CB 3.45Å; Y1112-C1115 PolarHBondContact O-N 3.22Å; Y1112-C1115 VanDerWaalsContact O-N 3.16Å |
| 1113 | V | 88.2 | Confident | 91.2 | Very high | 16 Ų | 16 | 35.1 Ų | 35.1 | 10% | 0.097 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.6 | -38.6 | 170.5 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | A1107 S1109 Q1110 C1115 I1116 P1153 E1155 | A1107-V1113 HydrophobicContact CB-CG2 4.23Å; A1107-V1113 WeakPolarHBondContact O-CG2 3.34Å; S1109-V1113 PolarHBondContact O-N 2.87Å; Q1110-V1113 WeakPolarHBondContact O-CB 3.44Å; Q1110-V1113 PolarHBondContact O-N 3.22Å; Q1110-V1113 VanDerWaalsContact O-N 3.1Å; V1113-C1115 PolarHBondContact O-N 3.02Å; V1113-C1115 VanDerWaalsContact O-N 3.11Å; V1113-I1116 WeakPolarHBondContact O-CB 3.24Å; V1113-I1116 PolarHBondContact O-N 3.09Å; V1113-P1153 HydrophobicContact CG1-CG 4.25Å; V1113-P1153 HydrophobicContact CG2-CG 3.78Å; V1113-E1155 WeakPolarHBondContact CG1-OE1 3.32Å |
| 1114 | E | 86.3 | Confident | 91.1 | Very high | 118 Ų | 118 | 35 Ų | 35 | 55% | 0.551 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -13.1 | 172.3 | -67.5 | 174.2 | -164.5 | 0 | 0 | 114.3 | K1061 Q1110 Y1112 | K1061-E1114 IonicContact NZ-OE2 3.97Å; K1061-E1114 PolarHBondContact NZ-OE2 3.28Å; Q1110-E1114 PolarHBondContact O-N 3.29Å; Y1112-E1114 VanDerWaalsContact C-N 3.32Å |
| 1115 | C | 88.9 | Confident | 91.1 | Very high | 9 Ų | 9 | 35 Ų | 35 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 5.5 | 175.8 | -56.6 | 0 | 0 | 0 | 0 | 113.1 | K1061 V1064 Q1065 I1068 A1111 Y1112 V1113 | K1061-C1115 VanDerWaalsContact CB-SG 3.57Å; V1064-C1115 HydrophobicContact CB-CB 4.45Å; V1064-C1115 HydrophobicContact CG1-CB 3.87Å; Q1065-C1115 HydrophobicContact CB-CB 4.45Å; I1068-C1115 HydrophobicContact CD1-CB 4.14Å; A1111-C1115 PolarHBondContact O-SG 3.04Å; Y1112-C1115 WeakPolarHBondContact O-CB 3.45Å; Y1112-C1115 PolarHBondContact O-N 3.22Å; Y1112-C1115 VanDerWaalsContact O-N 3.16Å; V1113-C1115 PolarHBondContact O-N 3.02Å; V1113-C1115 VanDerWaalsContact O-N 3.11Å |
| 1116 | I | 92.2 | Very high | 91.1 | Very high | 25 Ų | 25 | 35.7 Ų | 35.7 | 13% | 0.128 | 18% | 0.182 | C | C | . | . | trans | -98.6 | 114.6 | -179.2 | -63.9 | 174.5 | 0 | 0 | 0 | 109.7 | I1068 W1103 A1107 V1113 Y1156 | I1068-I1116 HydrophobicContact CD1-CG1 3.86Å; I1068-I1116 HydrophobicContact CG2-CG1 4.09Å; W1103-I1116 HydrophobicContact CH2-CG2 4.18Å; W1103-I1116 HydrophobicContact CZ2-CD1 4.18Å; W1103-I1116 HydrophobicContact CZ2-CG1 4.27Å; W1103-I1116 HydrophobicContact CZ2-CG2 3.57Å; A1107-I1116 HydrophobicContact CB-CD1 4.3Å; V1113-I1116 WeakPolarHBondContact O-CB 3.24Å; V1113-I1116 PolarHBondContact O-N 3.09Å; I1116-Y1156 VanDerWaalsContact CD1-OH 3.28Å; I1116-Y1156 WeakPolarHBondContact CD1-OH 3.49Å | ||
| 1117 | E | 92.4 | Very high | 91.3 | Very high | 87 Ų | 87 | 36 Ų | 36 | 41% | 0.407 | 18% | 0.183 | S | C | . | . | trans | -66.7 | 134.7 | 168.5 | -69.6 | 167.6 | -145.2 | 0 | 0 | 110.3 | Q1065 G1119 W1120 Y1121 | Q1065-E1117 PolarHBondContact NE2-OE1 3.12Å; E1117-G1119 VanDerWaalsContact C-N 3.31Å; E1117-G1119 PolarHBondContact O-N 3.18Å; E1117-W1120 HydrophobicContact CB-CD2 3.79Å; E1117-W1120 HydrophobicContact CB-CE3 4.23Å; E1117-W1120 HydrophobicContact CB-CG 3.95Å; E1117-W1120 HydrophobicContact CB-CZ2 4.32Å; E1117-W1120 HydrophobicContact CG-CD2 4.38Å; E1117-W1120 HydrophobicContact CG-CH2 4.31Å; E1117-W1120 HydrophobicContact CG-CZ2 4.05Å; E1117-W1120 WeakPolarHBondContact O-CB 3.32Å; E1117-W1120 PolarHBondContact O-N 2.86Å; E1117-W1120 VanDerWaalsContact OE1-CH2 3.31Å; E1117-W1120 WeakPolarHBondContact OE1-CH2 3.24Å; E1117-W1120 WeakPolarHBondContact OE1-CZ2 3.22Å; E1117-W1120 WeakPolarHBondContact OE2-CZ2 3.41Å; E1117-W1120 PolarHBondContact OE2-NE1 3.37Å; E1117-Y1121 PolarHBondContact O-N 2.87Å | ||
| 1118 | I | 92.6 | Very high | 91.4 | Very high | 42 Ų | 42 | 35.9 Ų | 35.9 | 22% | 0.215 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.4 | -41.3 | -172.2 | -63.3 | 151.5 | 0 | 0 | 0 | 111.3 | W1120 Y1121 L1122 Y1217 L1272 T1315 L1316 | I1118-W1120 PolarHBondContact O-N 3.39Å; I1118-Y1121 WeakPolarHBondContact O-CB 3.48Å; I1118-Y1121 PolarHBondContact O-N 3.49Å; I1118-Y1121 VanDerWaalsContact O-N 3.12Å; I1118-L1122 HydrophobicContact CG2-CD1 4.04Å; I1118-L1122 HydrophobicContact CG2-CG 4.18Å; I1118-L1122 WeakPolarHBondContact O-CG 3.32Å; I1118-L1122 PolarHBondContact O-N 2.93Å; I1118-Y1217 HydrophobicContact CG2-CE1 3.74Å; I1118-L1272 HydrophobicContact CB-CD1 3.87Å; I1118-L1272 HydrophobicContact CG2-CD1 3.84Å; I1118-T1315 WeakPolarHBondContact CD1-O 3.38Å; I1118-L1316 HydrophobicContact CD1-CD2 4.16Å; I1118-L1316 HydrophobicContact CG1-CD2 4.2Å; I1118-L1316 HydrophobicContact CG2-CD2 3.9Å |
| 1119 | G | 91.4 | Very high | 91.7 | Very high | 28 Ų | 28 | 33.5 Ų | 33.5 | 29% | 0.289 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.6 | -31.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1117 S1123 | E1117-G1119 VanDerWaalsContact C-N 3.31Å; E1117-G1119 PolarHBondContact O-N 3.18Å; G1119-S1123 WeakPolarHBondContact O-CB 3.49Å; G1119-S1123 PolarHBondContact O-N 3.06Å; G1119-S1123 VanDerWaalsContact O-N 3.09Å; G1119-S1123 PolarHBondContact O-OG 3.47Å |
| 1120 | W | 94.6 | Very high | 92 | Very high | 19 Ų | 19 | 32 Ų | 32 | 7% | 0.072 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73.8 | -40.9 | 175 | -52 | -5 | 0 | 0 | 0 | 111.1 | Q1065 I1068 R1069 Y1072 W1103 E1117 I1118 S1123 M1124 | Q1065-W1120 HydrophobicContact CG-CH2 3.78Å; Q1065-W1120 HydrophobicContact CG-CZ3 4.12Å; I1068-W1120 HydrophobicContact CB-CZ3 4.25Å; I1068-W1120 HydrophobicContact CG2-CE3 3.68Å; I1068-W1120 HydrophobicContact CG2-CZ3 3.73Å; R1069-W1120 HydrophobicContact CB-CH2 3.53Å; R1069-W1120 HydrophobicContact CB-CZ2 4.02Å; R1069-W1120 HydrophobicContact CB-CZ3 3.92Å; R1069-W1120 HydrophobicContact CG-CH2 3.79Å; R1069-W1120 HydrophobicContact CG-CZ2 3.72Å; R1069-W1120 HydrophobicContact CG-CZ3 4.49Å; Y1072-W1120 AromaticContact CD1-CD1 3.95Å; Y1072-W1120 HydrophobicContact CD1-CD2 4.23Å; Y1072-W1120 AromaticContact CD1-CG 3.98Å; Y1072-W1120 HydrophobicContact CD1-CG 3.98Å; Y1072-W1120 HydrophobicContact CD2-CB 3.71Å; Y1072-W1120 HydrophobicContact CD2-CG 4.01Å; Y1072-W1120 AromaticContact CE1-CD1 3.69Å; Y1072-W1120 HydrophobicContact CE1-CG 4.16Å; Y1072-W1120 HydrophobicContact CE2-CB 4Å; Y1072-W1120 HydrophobicContact CE2-CG 4.18Å; Y1072-W1120 HydrophobicContact CG-CB 4.01Å; Y1072-W1120 HydrophobicContact CG-CD2 4.31Å; Y1072-W1120 AromaticContact CG-CG 3.91Å; Y1072-W1120 HydrophobicContact CG-CG 3.91Å; Y1072-W1120 AromaticContact CZ-CD1 3.77Å; W1103-W1120 HydrophobicContact CH2-CB 3.72Å; W1103-W1120 HydrophobicContact CH2-CE3 4.24Å; W1103-W1120 HydrophobicContact CZ2-CB 4.4Å; E1117-W1120 HydrophobicContact CB-CD2 3.79Å; E1117-W1120 HydrophobicContact CB-CE3 4.23Å; E1117-W1120 HydrophobicContact CB-CG 3.95Å; E1117-W1120 HydrophobicContact CB-CZ2 4.32Å; E1117-W1120 HydrophobicContact CG-CD2 4.38Å; E1117-W1120 HydrophobicContact CG-CH2 4.31Å; E1117-W1120 HydrophobicContact CG-CZ2 4.05Å; E1117-W1120 WeakPolarHBondContact O-CB 3.32Å; E1117-W1120 PolarHBondContact O-N 2.86Å; E1117-W1120 VanDerWaalsContact OE1-CH2 3.31Å; E1117-W1120 WeakPolarHBondContact OE1-CH2 3.24Å; E1117-W1120 WeakPolarHBondContact OE1-CZ2 3.22Å; E1117-W1120 WeakPolarHBondContact OE2-CZ2 3.41Å; E1117-W1120 PolarHBondContact OE2-NE1 3.37Å; I1118-W1120 PolarHBondContact O-N 3.39Å; W1120-S1123 PolarHBondContact O-N 3.43Å; W1120-M1124 WeakPolarHBondContact O-CB 3.43Å; W1120-M1124 PolarHBondContact O-N 3.03Å |
| 1121 | Y | 95.2 | Very high | 92.4 | Very high | 20 Ų | 20 | 31.7 Ų | 31.7 | 8% | 0.078 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 172.2 | 160.7 | -85.5 | 0 | 0 | 0 | 111.7 | E1117 I1118 S1123 M1124 S1125 E1155 Y1156 I1159 L1218 | E1117-Y1121 PolarHBondContact O-N 2.87Å; I1118-Y1121 WeakPolarHBondContact O-CB 3.48Å; I1118-Y1121 PolarHBondContact O-N 3.49Å; I1118-Y1121 VanDerWaalsContact O-N 3.12Å; Y1121-S1123 VanDerWaalsContact C-N 3.3Å; Y1121-S1123 PolarHBondContact O-N 3.24Å; Y1121-M1124 PolarHBondContact O-N 3.3Å; Y1121-S1125 PolarHBondContact O-N 2.97Å; Y1121-E1155 HydrophobicContact CE2-CB 4.39Å; Y1121-E1155 HydrophobicContact CE2-CG 4.07Å; Y1121-E1155 PolarHBondContact OH-O 3.22Å; Y1121-Y1156 HydrophobicContact CD2-CE1 4.36Å; Y1121-Y1156 HydrophobicContact CE2-CD1 4.47Å; Y1121-Y1156 HydrophobicContact CE2-CE1 4.41Å; Y1121-I1159 HydrophobicContact CE2-CD1 4.32Å; Y1121-I1159 HydrophobicContact CE2-CG1 4.49Å; Y1121-L1218 HydrophobicContact CE1-CD1 4.22Å |
| 1122 | L | 94.2 | Very high | 92.9 | Very high | 15 Ų | 15 | 31.1 Ų | 31.1 | 8% | 0.079 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -36.7 | 178.5 | -73 | 174.4 | 0 | 0 | 0 | 112.2 | I1118 S1125 Y1126 Y1217 L1218 H1221 | I1118-L1122 HydrophobicContact CG2-CD1 4.04Å; I1118-L1122 HydrophobicContact CG2-CG 4.18Å; I1118-L1122 WeakPolarHBondContact O-CG 3.32Å; I1118-L1122 PolarHBondContact O-N 2.93Å; L1122-S1125 PolarHBondContact O-OG 3.25Å; L1122-Y1126 WeakPolarHBondContact O-CD2 3.36Å; L1122-Y1217 HydrophobicContact CD1-CE1 4.09Å; L1122-Y1217 HydrophobicContact CD2-CD1 4.17Å; L1122-Y1217 HydrophobicContact CD2-CE1 4.3Å; L1122-L1218 HydrophobicContact CD2-CD1 3.62Å; L1122-H1221 HydrophobicContact CD1-CB 3.8Å; L1122-H1221 HydrophobicContact CD2-CB 4.18Å |
| 1123 | S | 92.2 | Very high | 93.1 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -72.9 | -41.4 | 174.5 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | G1119 W1120 Y1121 S1125 | G1119-S1123 WeakPolarHBondContact O-CB 3.49Å; G1119-S1123 PolarHBondContact O-N 3.06Å; G1119-S1123 VanDerWaalsContact O-N 3.09Å; G1119-S1123 PolarHBondContact O-OG 3.47Å; W1120-S1123 PolarHBondContact O-N 3.43Å; Y1121-S1123 VanDerWaalsContact C-N 3.3Å; Y1121-S1123 PolarHBondContact O-N 3.24Å; S1123-S1125 PolarHBondContact O-N 2.96Å |
| 1124 | M | 94.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.6 | -29.3 | -177.8 | 163 | 58.8 | -171.2 | 0 | 0 | 113.1 | I1075 A1100 W1103 W1120 Y1121 Y1126 I1127 F1139 | I1075-M1124 HydrophobicContact CD1-SD 3.47Å; I1075-M1124 WeakPolarHBondContact CD1-SD 3.38Å; A1100-M1124 HydrophobicContact CB-CE 3.81Å; A1100-M1124 HydrophobicContact CB-SD 4.11Å; A1100-M1124 WeakPolarHBondContact O-CE 3.47Å; W1103-M1124 HydrophobicContact CB-CE 4Å; W1103-M1124 HydrophobicContact CD2-CG 4.11Å; W1103-M1124 HydrophobicContact CG-CE 3.96Å; W1103-M1124 HydrophobicContact CG-CG 4.24Å; W1103-M1124 HydrophobicContact CG-SD 4.44Å; W1103-M1124 HydrophobicContact CZ2-CB 4.38Å; W1103-M1124 HydrophobicContact CZ2-CG 4.36Å; W1120-M1124 WeakPolarHBondContact O-CB 3.43Å; W1120-M1124 PolarHBondContact O-N 3.03Å; Y1121-M1124 PolarHBondContact O-N 3.3Å; M1124-Y1126 PolarHBondContact O-N 2.63Å; M1124-I1127 HydrophobicContact CE-CG2 4.02Å; M1124-I1127 WeakPolarHBondContact O-CB 3.49Å; M1124-I1127 WeakPolarHBondContact O-CG2 3.42Å; M1124-I1127 PolarHBondContact O-N 3.43Å; M1124-I1127 HydrophobicContact SD-CG2 4.03Å; M1124-F1139 HydrophobicContact CE-CD2 4.44Å; M1124-F1139 HydrophobicContact CE-CE2 3.42Å; M1124-F1139 VanDerWaalsContact CE-CE2 3.42Å; M1124-F1139 HydrophobicContact CE-CZ 3.87Å |
| 1125 | S | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -55.5 | -35.8 | 178.4 | 68.3 | 0 | 0 | 0 | 0 | 113 | Y1121 L1122 S1123 I1127 I1128 I1159 H1162 | Y1121-S1125 PolarHBondContact O-N 2.97Å; L1122-S1125 PolarHBondContact O-OG 3.25Å; S1123-S1125 PolarHBondContact O-N 2.96Å; S1125-I1127 PolarHBondContact O-N 3.31Å; S1125-I1127 VanDerWaalsContact O-N 3.08Å; S1125-I1128 WeakPolarHBondContact O-CG2 3.47Å; S1125-I1128 PolarHBondContact O-N 3.03Å; S1125-I1159 WeakPolarHBondContact O-CG2 3.39Å; S1125-H1162 WeakPolarHBondContact CB-NE2 3.42Å; S1125-H1162 PolarHBondContact OG-CD2 2.99Å; S1125-H1162 PolarHBondContact OG-NE2 3.27Å |
| 1126 | Y | 94.6 | Very high | 94.1 | Very high | 64 Ų | 64 | 29.4 Ų | 29.4 | 25% | 0.251 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -66.5 | -9.2 | -176.5 | -76 | -87.3 | 0 | 0 | 0 | 114.1 | L1122 M1124 I1128 C1129 H1162 D1222 | L1122-Y1126 WeakPolarHBondContact O-CD2 3.36Å; M1124-Y1126 PolarHBondContact O-N 2.63Å; Y1126-I1128 PolarHBondContact O-N 2.94Å; Y1126-I1128 VanDerWaalsContact O-N 3.13Å; Y1126-C1129 CarbonylContact O-C 3.49Å; Y1126-C1129 WeakPolarHBondContact O-CA 3.35Å; Y1126-C1129 WeakPolarHBondContact O-CB 3.5Å; Y1126-C1129 PolarHBondContact O-N 2.98Å; Y1126-H1162 AromaticContact CE1-CE1 3.76Å; Y1126-H1162 AromaticContact CE1-ND1 3.75Å; Y1126-H1162 AromaticContact CE2-CE1 3.72Å; Y1126-H1162 AromaticContact CE2-NE2 3.96Å; Y1126-H1162 AromaticContact CZ-CE1 3.37Å; Y1126-H1162 AromaticContact CZ-ND1 3.84Å; Y1126-H1162 PolarHBondContact OH-CE1 3.46Å; Y1126-D1222 PolarHBondContact OH-OD2 3.49Å |
| 1127 | I | 96.1 | Very high | 94.2 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -61.8 | -18.7 | 172.1 | -160.1 | 71.9 | 0 | 0 | 0 | 113 | R1096 A1100 M1124 S1125 C1129 D1130 V1135 F1139 | R1096-I1127 HydrophobicContact CB-CD1 4Å; A1100-I1127 HydrophobicContact CB-CG1 3.83Å; A1100-I1127 HydrophobicContact CB-CG2 4.22Å; M1124-I1127 HydrophobicContact CE-CG2 4.02Å; M1124-I1127 WeakPolarHBondContact O-CB 3.49Å; M1124-I1127 WeakPolarHBondContact O-CG2 3.42Å; M1124-I1127 PolarHBondContact O-N 3.43Å; M1124-I1127 HydrophobicContact SD-CG2 4.03Å; S1125-I1127 PolarHBondContact O-N 3.31Å; S1125-I1127 VanDerWaalsContact O-N 3.08Å; I1127-C1129 PolarHBondContact O-N 3.12Å; I1127-D1130 HydrophobicContact CD1-CB 4.27Å; I1127-D1130 VanDerWaalsContact CD1-OD2 3.28Å; I1127-D1130 WeakPolarHBondContact CD1-OD2 3.42Å; I1127-D1130 WeakPolarHBondContact O-CB 3.46Å; I1127-D1130 PolarHBondContact O-N 2.86Å; I1127-V1135 HydrophobicContact CD1-CG1 4.02Å; I1127-V1135 HydrophobicContact CG1-CG1 4.05Å; I1127-F1139 HydrophobicContact CG2-CD1 3.71Å; I1127-F1139 HydrophobicContact CG2-CD2 3.66Å; I1127-F1139 HydrophobicContact CG2-CE1 3.54Å; I1127-F1139 HydrophobicContact CG2-CE2 3.48Å; I1127-F1139 VanDerWaalsContact CG2-CE2 3.48Å; I1127-F1139 HydrophobicContact CG2-CG 3.77Å; I1127-F1139 HydrophobicContact CG2-CZ 3.41Å; I1127-F1139 VanDerWaalsContact CG2-CZ 3.41Å |
| 1128 | I | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -69.8 | -16.3 | 170.3 | -157.3 | 165.1 | 0 | 0 | 0 | 112.9 | S1125 Y1126 R1136 F1139 L1140 L1143 I1159 H1162 S1163 F1171 | S1125-I1128 WeakPolarHBondContact O-CG2 3.47Å; S1125-I1128 PolarHBondContact O-N 3.03Å; Y1126-I1128 PolarHBondContact O-N 2.94Å; Y1126-I1128 VanDerWaalsContact O-N 3.13Å; I1128-R1136 VanDerWaalsContact O-CD 3.25Å; I1128-R1136 WeakPolarHBondContact O-CD 3.48Å; I1128-R1136 WeakPolarHBondContact O-CG 3.39Å; I1128-F1139 HydrophobicContact CB-CD1 4.13Å; I1128-F1139 HydrophobicContact CB-CE1 4.12Å; I1128-F1139 HydrophobicContact CG1-CD1 4.34Å; I1128-L1140 HydrophobicContact CD1-CD1 4.34Å; I1128-L1143 HydrophobicContact CD1-CD2 4.15Å; I1128-I1159 HydrophobicContact CB-CG2 4Å; I1128-I1159 HydrophobicContact CD1-CG2 4.03Å; I1128-I1159 HydrophobicContact CG2-CG2 3.88Å; I1128-H1162 HydrophobicContact CG2-CB 3.69Å; I1128-S1163 VanDerWaalsContact CD1-OG 3.31Å; I1128-S1163 WeakPolarHBondContact CD1-OG 3.47Å; I1128-F1171 HydrophobicContact CG1-CE1 4.17Å; I1128-F1171 HydrophobicContact CG1-CZ 3.84Å |
| 1129 | C | 94.7 | Very high | 94.5 | Very high | 39 Ų | 39 | 28.7 Ų | 28.7 | 26% | 0.264 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -105.8 | 13.9 | 174.9 | -64 | 0 | 0 | 0 | 0 | 113.3 | Y1126 I1127 H1162 | Y1126-C1129 CarbonylContact O-C 3.49Å; Y1126-C1129 WeakPolarHBondContact O-CA 3.35Å; Y1126-C1129 WeakPolarHBondContact O-CB 3.5Å; Y1126-C1129 PolarHBondContact O-N 2.98Å; I1127-C1129 PolarHBondContact O-N 3.12Å; C1129-H1162 PolarHBondContact SG-O 3.2Å |
| 1130 | D | 95.4 | Very high | 94.8 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.043 | 15% | 0.151 | C | C | . | . | trans | -48.9 | 138.2 | 180 | -169.3 | -70 | 0 | 0 | 0 | 112.6 | R1096 I1127 C1132 V1135 R1136 | R1096-D1130 IonicContact CZ-OD1 3.56Å; R1096-D1130 IonicContact CZ-OD2 2.72Å; R1096-D1130 VanDerWaalsContact CZ-OD2 3.31Å; R1096-D1130 IonicContact NE-OD1 3.74Å; R1096-D1130 IonicContact NE-OD2 2.73Å; R1096-D1130 PolarHBondContact NE-OD2 3.3Å; R1096-D1130 VanDerWaalsContact NH2-CG 3.32Å; R1096-D1130 IonicContact NH2-OD1 2.7Å; R1096-D1130 PolarHBondContact NH2-OD1 3.19Å; R1096-D1130 IonicContact NH2-OD2 2.95Å; R1096-D1130 PolarHBondContact NH2-OD2 3.04Å; I1127-D1130 HydrophobicContact CD1-CB 4.27Å; I1127-D1130 VanDerWaalsContact CD1-OD2 3.28Å; I1127-D1130 WeakPolarHBondContact CD1-OD2 3.42Å; I1127-D1130 WeakPolarHBondContact O-CB 3.46Å; I1127-D1130 PolarHBondContact O-N 2.86Å; D1130-C1132 PolarHBondContact O-N 3.13Å; D1130-C1132 VanDerWaalsContact O-N 3.12Å; D1130-C1132 VanDerWaalsContact OD1-CB 3.23Å; D1130-C1132 WeakPolarHBondContact OD1-CB 3.36Å; D1130-C1132 PolarHBondContact OD1-N 3.25Å; D1130-V1135 HydrophobicContact CB-CB 3.98Å; D1130-V1135 HydrophobicContact CB-CG1 3.82Å; D1130-V1135 WeakPolarHBondContact OD2-CG1 3.27Å; D1130-R1136 HydrophobicContact CB-CG 3.9Å; D1130-R1136 WeakPolarHBondContact O-CD 3.47Å; D1130-R1136 VanDerWaalsContact O-CG 3.22Å; D1130-R1136 WeakPolarHBondContact O-CG 3.35Å; D1130-R1136 PolarHBondContact O-NE 2.81Å; D1130-R1136 VanDerWaalsContact O-NE 3.12Å | ||
| 1131 | P | 92.8 | Very high | 94.9 | Very high | 107 Ų | 107 | 28.9 Ų | 28.9 | 70% | 0.695 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -53.6 | -31.7 | 177.6 | -27.9 | 35.6 | 0 | 0 | 0 | 114 | P1133 | P1131-P1133 WeakPolarHBondContact O-CD 3.41Š|
| 1132 | C | 94 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -83.7 | 116.9 | 179.4 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | S1028 D1130 Q1134 V1135 R1136 | S1028-C1132 PolarHBondContact O-SG 3.3Å; D1130-C1132 PolarHBondContact O-N 3.13Å; D1130-C1132 VanDerWaalsContact O-N 3.12Å; D1130-C1132 VanDerWaalsContact OD1-CB 3.23Å; D1130-C1132 WeakPolarHBondContact OD1-CB 3.36Å; D1130-C1132 PolarHBondContact OD1-N 3.25Å; C1132-Q1134 PolarHBondContact O-N 3.36Å; C1132-Q1134 PolarHBondContact SG-OE1 3.31Å; C1132-V1135 HydrophobicContact CB-CB 4.15Å; C1132-V1135 HydrophobicContact CB-CG2 3.67Å; C1132-V1135 PolarHBondContact O-N 3.44Å; C1132-V1135 VanDerWaalsContact O-N 3.09Å; C1132-R1136 PolarHBondContact O-N 3.07Å |
| 1133 | P | 93.7 | Very high | 95 | Very high | 50 Ų | 50 | 31.4 Ų | 31.4 | 33% | 0.325 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.6 | -35.7 | 178.7 | -23.3 | 33 | 0 | 0 | 0 | 113.7 | P1131 R1136 S1137 | P1131-P1133 WeakPolarHBondContact O-CD 3.41Å; P1133-R1136 PolarHBondContact O-N 3.09Å; P1133-S1137 VanDerWaalsContact O-CB 3.28Å; P1133-S1137 WeakPolarHBondContact O-CB 3.15Å; P1133-S1137 PolarHBondContact O-N 2.92Å |
| 1134 | Q | 92.8 | Very high | 95.3 | Very high | 43 Ų | 43 | 30.6 Ų | 30.6 | 20% | 0.201 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 178.5 | -66.5 | 78 | 2.7 | 0 | 0 | 111 | W1029 C1132 H1138 | W1029-Q1134 HydrophobicContact CB-CG 4.41Å; W1029-Q1134 HydrophobicContact CD2-CB 3.61Å; W1029-Q1134 HydrophobicContact CD2-CG 3.91Å; W1029-Q1134 HydrophobicContact CE3-CB 3.74Å; W1029-Q1134 HydrophobicContact CG-CB 4.06Å; W1029-Q1134 HydrophobicContact CG-CG 3.85Å; W1029-Q1134 HydrophobicContact CH2-CB 4.25Å; W1029-Q1134 HydrophobicContact CZ2-CB 4.15Å; W1029-Q1134 HydrophobicContact CZ3-CB 4.06Å; C1132-Q1134 PolarHBondContact O-N 3.36Å; C1132-Q1134 PolarHBondContact SG-OE1 3.31Å; Q1134-H1138 WeakPolarHBondContact O-CB 3.34Å; Q1134-H1138 PolarHBondContact O-N 2.97Å; Q1134-H1138 PolarHBondContact O-ND1 3.06Å |
| 1135 | V | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -53 | 175.3 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | W1029 S1093 L1097 I1127 D1130 C1132 S1137 H1138 F1139 | W1029-V1135 HydrophobicContact CE3-CG2 4.4Å; W1029-V1135 HydrophobicContact CZ3-CG2 4.05Å; S1093-V1135 VanDerWaalsContact O-CG2 3.24Å; S1093-V1135 WeakPolarHBondContact O-CG2 3.27Å; L1097-V1135 HydrophobicContact CB-CG1 4.16Å; L1097-V1135 HydrophobicContact CB-CG2 4.24Å; L1097-V1135 HydrophobicContact CD1-CG1 4.22Å; I1127-V1135 HydrophobicContact CD1-CG1 4.02Å; I1127-V1135 HydrophobicContact CG1-CG1 4.05Å; D1130-V1135 HydrophobicContact CB-CB 3.98Å; D1130-V1135 HydrophobicContact CB-CG1 3.82Å; D1130-V1135 WeakPolarHBondContact OD2-CG1 3.27Å; C1132-V1135 HydrophobicContact CB-CB 4.15Å; C1132-V1135 HydrophobicContact CB-CG2 3.67Å; C1132-V1135 PolarHBondContact O-N 3.44Å; C1132-V1135 VanDerWaalsContact O-N 3.09Å; V1135-S1137 VanDerWaalsContact C-N 3.34Å; V1135-S1137 PolarHBondContact O-N 2.78Å; V1135-H1138 PolarHBondContact O-N 3.47Å; V1135-F1139 VanDerWaalsContact O-CB 3.27Å; V1135-F1139 WeakPolarHBondContact O-CB 3.46Å; V1135-F1139 PolarHBondContact O-N 3.26Å |
| 1136 | R | 96 | Very high | 95 | Very high | 16 Ų | 16 | 33 Ų | 33 | 6% | 0.06 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.1 | -49.3 | 177.5 | -64.7 | -169.4 | -79.9 | 102.4 | -6.1 | 112 | I1128 D1130 C1132 P1133 F1139 L1140 E1168 F1171 | I1128-R1136 VanDerWaalsContact O-CD 3.25Å; I1128-R1136 WeakPolarHBondContact O-CD 3.48Å; I1128-R1136 WeakPolarHBondContact O-CG 3.39Å; D1130-R1136 HydrophobicContact CB-CG 3.9Å; D1130-R1136 WeakPolarHBondContact O-CD 3.47Å; D1130-R1136 VanDerWaalsContact O-CG 3.22Å; D1130-R1136 WeakPolarHBondContact O-CG 3.35Å; D1130-R1136 PolarHBondContact O-NE 2.81Å; D1130-R1136 VanDerWaalsContact O-NE 3.12Å; C1132-R1136 PolarHBondContact O-N 3.07Å; P1133-R1136 PolarHBondContact O-N 3.09Å; R1136-F1139 PolarHBondContact O-N 3.32Å; R1136-L1140 VanDerWaalsContact O-CB 3.27Å; R1136-L1140 WeakPolarHBondContact O-CB 3.43Å; R1136-L1140 PolarHBondContact O-N 3.29Å; R1136-E1168 IonicContact CZ-OE2 3.97Å; R1136-E1168 VanDerWaalsContact CZ-OE2 3.3Å; R1136-E1168 IonicContact NH1-OE2 2.74Å; R1136-E1168 PolarHBondContact NH1-OE2 3.35Å; R1136-E1168 IonicContact NH2-OE2 3.15Å; R1136-E1168 PolarHBondContact NH2-OE2 2.91Å; R1136-F1171 HydrophobicContact CB-CD2 4.29Å; R1136-F1171 HydrophobicContact CB-CE2 3.64Å; R1136-F1171 HydrophobicContact CB-CZ 3.91Å |
| 1137 | S | 94.7 | Very high | 95.1 | Very high | 42 Ų | 42 | 30 Ų | 30 | 29% | 0.294 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.4 | -44.2 | -177.1 | -176 | 0 | 0 | 0 | 0 | 112.9 | P1133 V1135 T1141 R1174 | P1133-S1137 VanDerWaalsContact O-CB 3.28Å; P1133-S1137 WeakPolarHBondContact O-CB 3.15Å; P1133-S1137 PolarHBondContact O-N 2.92Å; V1135-S1137 VanDerWaalsContact C-N 3.34Å; V1135-S1137 PolarHBondContact O-N 2.78Å; S1137-T1141 WeakPolarHBondContact O-CB 3.43Å; S1137-T1141 PolarHBondContact O-N 3.12Å; S1137-T1141 PolarHBondContact O-OG1 3.01Å; S1137-R1174 PolarHBondContact OG-NH1 2.72Å |
| 1138 | H | 93.9 | Very high | 94.9 | Very high | 97 Ų | 97 | 34.4 Ų | 34.4 | 45% | 0.449 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -71.2 | -40.5 | 178 | -74.1 | 90.3 | 0 | 0 | 0 | 112 | L1097 Q1134 V1135 T1141 K1142 | L1097-H1138 HydrophobicContact CD1-CB 3.68Å; L1097-H1138 HydrophobicContact CD2-CB 3.76Å; L1097-H1138 HydrophobicContact CG-CB 4.36Å; Q1134-H1138 WeakPolarHBondContact O-CB 3.34Å; Q1134-H1138 PolarHBondContact O-N 2.97Å; Q1134-H1138 PolarHBondContact O-ND1 3.06Å; V1135-H1138 PolarHBondContact O-N 3.47Å; H1138-T1141 WeakPolarHBondContact O-CB 3.47Å; H1138-T1141 PolarHBondContact O-N 3.38Å; H1138-K1142 PolarHBondContact O-N 2.68Å; H1138-K1142 VanDerWaalsContact O-N 3.12Å |
| 1139 | F | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -52.9 | 176.1 | 179 | -101.2 | 0 | 0 | 0 | 111.8 | L1097 A1100 L1104 M1124 I1127 I1128 V1135 R1136 T1141 K1142 L1143 I1159 | L1097-F1139 HydrophobicContact CD1-CB 4.44Å; A1100-F1139 HydrophobicContact CB-CD2 3.92Å; A1100-F1139 HydrophobicContact CB-CE2 4.17Å; L1104-F1139 HydrophobicContact CD1-CD2 3.76Å; L1104-F1139 HydrophobicContact CD1-CE2 3.26Å; L1104-F1139 HydrophobicContact CD1-CZ 3.82Å; L1104-F1139 HydrophobicContact CD2-CE2 4.26Å; L1104-F1139 HydrophobicContact CD2-CZ 4.37Å; L1104-F1139 HydrophobicContact CG-CE2 3.71Å; L1104-F1139 HydrophobicContact CG-CZ 4.28Å; M1124-F1139 HydrophobicContact CE-CD2 4.44Å; M1124-F1139 HydrophobicContact CE-CE2 3.42Å; M1124-F1139 VanDerWaalsContact CE-CE2 3.42Å; M1124-F1139 HydrophobicContact CE-CZ 3.87Å; I1127-F1139 HydrophobicContact CG2-CD1 3.71Å; I1127-F1139 HydrophobicContact CG2-CD2 3.66Å; I1127-F1139 HydrophobicContact CG2-CE1 3.54Å; I1127-F1139 HydrophobicContact CG2-CE2 3.48Å; I1127-F1139 VanDerWaalsContact CG2-CE2 3.48Å; I1127-F1139 HydrophobicContact CG2-CG 3.77Å; I1127-F1139 HydrophobicContact CG2-CZ 3.41Å; I1127-F1139 VanDerWaalsContact CG2-CZ 3.41Å; I1128-F1139 HydrophobicContact CB-CD1 4.13Å; I1128-F1139 HydrophobicContact CB-CE1 4.12Å; I1128-F1139 HydrophobicContact CG1-CD1 4.34Å; V1135-F1139 VanDerWaalsContact O-CB 3.27Å; V1135-F1139 WeakPolarHBondContact O-CB 3.46Å; V1135-F1139 PolarHBondContact O-N 3.26Å; R1136-F1139 PolarHBondContact O-N 3.32Å; F1139-T1141 PolarHBondContact O-N 3.45Å; F1139-K1142 PolarHBondContact O-N 2.93Å; F1139-L1143 HydrophobicContact CE1-CB 4.43Å; F1139-L1143 HydrophobicContact CE1-CD2 4.07Å; F1139-L1143 WeakPolarHBondContact O-CB 3.32Å; F1139-L1143 PolarHBondContact O-N 3.04Å; F1139-I1159 HydrophobicContact CE1-CG2 4.19Å |
| 1140 | L | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.5 | -40 | 176 | 174 | 62.3 | 0 | 0 | 0 | 111.9 | I1128 R1136 K1142 N1144 F1160 F1171 R1174 A1175 L1178 | I1128-L1140 HydrophobicContact CD1-CD1 4.34Å; R1136-L1140 VanDerWaalsContact O-CB 3.27Å; R1136-L1140 WeakPolarHBondContact O-CB 3.43Å; R1136-L1140 PolarHBondContact O-N 3.29Å; L1140-K1142 PolarHBondContact O-N 3.49Å; L1140-N1144 WeakPolarHBondContact O-CB 3.43Å; L1140-N1144 PolarHBondContact O-N 3.39Å; L1140-F1160 HydrophobicContact CD1-CD1 4.38Å; L1140-F1160 HydrophobicContact CD1-CE1 3.58Å; L1140-F1160 HydrophobicContact CD1-CZ 3.91Å; L1140-F1171 HydrophobicContact CB-CE2 4.01Å; L1140-F1171 HydrophobicContact CB-CZ 4.11Å; L1140-F1171 HydrophobicContact CD2-CD2 4.14Å; L1140-F1171 HydrophobicContact CD2-CE2 3.55Å; L1140-F1171 HydrophobicContact CD2-CZ 3.78Å; L1140-F1171 HydrophobicContact CG-CE2 4.41Å; L1140-F1171 HydrophobicContact CG-CZ 4.46Å; L1140-R1174 HydrophobicContact CD2-CG 4.41Å; L1140-A1175 HydrophobicContact CD1-CB 4.33Å; L1140-A1175 HydrophobicContact CD2-CB 4.06Å; L1140-L1178 HydrophobicContact CD1-CD1 4.18Å; L1140-L1178 HydrophobicContact CD2-CD1 4.26Å; L1140-L1178 HydrophobicContact CG-CD1 3.98Å |
| 1141 | T | 95.9 | Very high | 94.2 | Very high | 52 Ų | 52 | 37.4 Ų | 37.4 | 32% | 0.319 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.2 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | S1137 H1138 F1139 Q1145 R1174 | S1137-T1141 WeakPolarHBondContact O-CB 3.43Å; S1137-T1141 PolarHBondContact O-N 3.12Å; S1137-T1141 PolarHBondContact O-OG1 3.01Å; H1138-T1141 WeakPolarHBondContact O-CB 3.47Å; H1138-T1141 PolarHBondContact O-N 3.38Å; F1139-T1141 PolarHBondContact O-N 3.45Å; T1141-Q1145 WeakPolarHBondContact O-CB 3.45Å; T1141-Q1145 PolarHBondContact O-N 3.32Å; T1141-R1174 PolarHBondContact OG1-NH2 2.88Å |
| 1142 | K | 94.9 | Very high | 94.2 | Very high | 88 Ų | 88 | 32.6 Ų | 32.6 | 38% | 0.383 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -79.6 | -34.7 | 179.2 | -67.2 | -65.4 | 168.1 | -167.1 | 0 | 113.6 | T1101 L1104 H1138 F1139 L1140 Q1145 G1146 | T1101-K1142 HydrophobicContact CG2-CB 4.13Å; T1101-K1142 HydrophobicContact CG2-CG 3.9Å; L1104-K1142 HydrophobicContact CD1-CB 4.23Å; H1138-K1142 PolarHBondContact O-N 2.68Å; H1138-K1142 VanDerWaalsContact O-N 3.12Å; F1139-K1142 PolarHBondContact O-N 2.93Å; L1140-K1142 PolarHBondContact O-N 3.49Å; K1142-Q1145 PolarHBondContact O-N 3.1Å; K1142-G1146 PolarHBondContact O-N 2.98Å; K1142-G1146 VanDerWaalsContact O-N 3.15Å |
| 1143 | L | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.6 | -54.2 | 170.9 | -178.9 | 62.5 | 0 | 0 | 0 | 110.3 | L1104 I1128 F1139 Q1145 G1146 L1147 L1152 Y1156 I1159 F1160 | L1104-L1143 HydrophobicContact CD1-CB 3.98Å; L1104-L1143 HydrophobicContact CD1-CD1 4.37Å; L1104-L1143 HydrophobicContact CD2-CD1 4Å; I1128-L1143 HydrophobicContact CD1-CD2 4.15Å; F1139-L1143 HydrophobicContact CE1-CB 4.43Å; F1139-L1143 HydrophobicContact CE1-CD2 4.07Å; F1139-L1143 WeakPolarHBondContact O-CB 3.32Å; F1139-L1143 PolarHBondContact O-N 3.04Å; L1143-Q1145 VanDerWaalsContact C-N 3.33Å; L1143-Q1145 PolarHBondContact O-N 2.92Å; L1143-G1146 PolarHBondContact O-N 3.18Å; L1143-L1147 HydrophobicContact CD1-CD1 3.92Å; L1143-L1147 HydrophobicContact CD1-CG 4.49Å; L1143-L1147 HydrophobicContact CG-CD1 3.92Å; L1143-L1147 WeakPolarHBondContact O-CG 3.29Å; L1143-L1147 PolarHBondContact O-N 3.46Å; L1143-L1152 HydrophobicContact CD1-CD1 4.25Å; L1143-Y1156 HydrophobicContact CD1-CD1 4.42Å; L1143-I1159 HydrophobicContact CD1-CD1 4.31Å; L1143-I1159 HydrophobicContact CD2-CB 4.17Å; L1143-I1159 HydrophobicContact CD2-CG2 4.16Å; L1143-F1160 HydrophobicContact CD2-CD2 4.27Å; L1143-F1160 HydrophobicContact CD2-CE2 3.95Å; L1143-F1160 HydrophobicContact CD2-CZ 4.48Å; L1143-F1160 HydrophobicContact CG-CE2 4.28Å |
| 1144 | N | 96.9 | Very high | 94.2 | Very high | 29 Ų | 29 | 31.7 Ų | 31.7 | 16% | 0.155 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.3 | -39.7 | 175 | 177.3 | 69.7 | 0 | 0 | 0 | 112.7 | L1140 G1146 L1147 Y1148 L1178 N1182 | L1140-N1144 WeakPolarHBondContact O-CB 3.43Å; L1140-N1144 PolarHBondContact O-N 3.39Å; N1144-G1146 VanDerWaalsContact C-N 3.3Å; N1144-G1146 PolarHBondContact O-N 3.33Å; N1144-L1147 PolarHBondContact O-N 3.36Å; N1144-Y1148 WeakPolarHBondContact O-CB 3.48Å; N1144-Y1148 PolarHBondContact O-N 3.29Å; N1144-L1178 HydrophobicContact CB-CB 4.42Å; N1144-L1178 HydrophobicContact CB-CD1 4.01Å; N1144-N1182 PolarHBondContact OD1-ND2 3.43Å |
| 1145 | Q | 92.5 | Very high | 94.3 | Very high | 51 Ų | 51 | 31.5 Ų | 31.5 | 24% | 0.238 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.4 | -36.1 | 179.5 | -172.5 | 174 | 21.9 | 0 | 0 | 112.8 | N784 T1141 K1142 L1143 K1149 | N784-Q1145 PolarHBondContact OD1-NE2 3.38Å; T1141-Q1145 WeakPolarHBondContact O-CB 3.45Å; T1141-Q1145 PolarHBondContact O-N 3.32Å; K1142-Q1145 PolarHBondContact O-N 3.1Å; L1143-Q1145 VanDerWaalsContact C-N 3.33Å; L1143-Q1145 PolarHBondContact O-N 2.92Å; Q1145-K1149 WeakPolarHBondContact O-CG 3.38Å |
| 1146 | G | 91.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -76.4 | -47.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1142 L1143 N1144 Y1148 K1149 L1150 S1151 L1152 | K1142-G1146 PolarHBondContact O-N 2.98Å; K1142-G1146 VanDerWaalsContact O-N 3.15Å; L1143-G1146 PolarHBondContact O-N 3.18Å; N1144-G1146 VanDerWaalsContact C-N 3.3Å; N1144-G1146 PolarHBondContact O-N 3.33Å; G1146-Y1148 PolarHBondContact O-N 2.9Å; G1146-K1149 PolarHBondContact O-N 2.83Å; G1146-L1150 PolarHBondContact O-N 3.47Å; G1146-S1151 PolarHBondContact O-N 3.25Å; G1146-S1151 PolarHBondContact O-OG 2.98Å; G1146-L1152 PolarHBondContact O-N 3.1Å |
| 1147 | L | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.6 | -37.9 | -178.6 | -72.7 | 169.9 | 0 | 0 | 0 | 113.1 | L1143 N1144 K1149 L1150 L1152 M1157 F1160 N1182 R1186 | L1143-L1147 HydrophobicContact CD1-CD1 3.92Å; L1143-L1147 HydrophobicContact CD1-CG 4.49Å; L1143-L1147 HydrophobicContact CG-CD1 3.92Å; L1143-L1147 WeakPolarHBondContact O-CG 3.29Å; L1143-L1147 PolarHBondContact O-N 3.46Å; N1144-L1147 PolarHBondContact O-N 3.36Å; L1147-K1149 VanDerWaalsContact C-N 3.35Å; L1147-L1150 PolarHBondContact O-N 2.9Å; L1147-L1152 HydrophobicContact CD2-CB 3.84Å; L1147-L1152 HydrophobicContact CG-CB 4.12Å; L1147-L1152 HydrophobicContact CG-CD1 4.29Å; L1147-M1157 HydrophobicContact CD1-CB 4.05Å; L1147-M1157 HydrophobicContact CD1-CG 4.46Å; L1147-M1157 HydrophobicContact CD2-CB 4.05Å; L1147-F1160 HydrophobicContact CD1-CE2 3.8Å; L1147-N1182 VanDerWaalsContact CB-OD1 3.28Å; L1147-N1182 WeakPolarHBondContact CB-OD1 3.47Å; L1147-N1182 PolarHBondContact O-OD1 3.08Å; L1147-R1186 PolarHBondContact O-NH1 3.08Å |
| 1148 | Y | 93 | Very high | 94.5 | Very high | 101 Ų | 101 | 28.8 Ų | 28.8 | 40% | 0.396 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -76.6 | -24.4 | -178.4 | -166.4 | -89.6 | 0 | 0 | 0 | 112.6 | N1144 G1146 L1150 A1181 N1182 R1185 | N1144-Y1148 WeakPolarHBondContact O-CB 3.48Å; N1144-Y1148 PolarHBondContact O-N 3.29Å; G1146-Y1148 PolarHBondContact O-N 2.9Å; Y1148-L1150 PolarHBondContact O-N 2.74Å; Y1148-A1181 HydrophobicContact CD2-CB 4.47Å; Y1148-A1181 HydrophobicContact CE2-CB 4.14Å; Y1148-N1182 VanDerWaalsContact CA-OD1 3.29Å; Y1148-N1182 WeakPolarHBondContact CA-OD1 3.44Å; Y1148-N1182 PolarHBondContact N-OD1 3.2Å; Y1148-R1185 HydrophobicContact CD2-CB 3.97Å; Y1148-R1185 HydrophobicContact CD2-CG 4.12Å; Y1148-R1185 HydrophobicContact CE1-CG 4.48Å; Y1148-R1185 HydrophobicContact CE2-CB 3.7Å; Y1148-R1185 HydrophobicContact CE2-CG 4.04Å; Y1148-R1185 HydrophobicContact CG-CG 4.37Å |
| 1149 | K | 87.3 | Confident | 94.7 | Very high | 36 Ų | 36 | 24.2 Ų | 24.2 | 16% | 0.157 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -8.2 | 165.7 | -85.2 | -179.7 | 160.6 | -69 | 0 | 113.2 | N784 T785 D786 Q1145 G1146 L1147 S1151 | N784-K1149 HydrophobicContact CB-CD 4.48Å; N784-K1149 HydrophobicContact CB-CG 4.22Å; N784-K1149 WeakPolarHBondContact OD1-CE 3.24Å; T785-K1149 VanDerWaalsContact C-NZ 3.32Å; T785-K1149 PolarHBondContact O-NZ 3.05Å; D786-K1149 IonicContact OD1-NZ 2.73Å; D786-K1149 PolarHBondContact OD1-NZ 2.9Å; D786-K1149 IonicContact OD2-NZ 3.59Å; D786-K1149 PolarHBondContact OD2-NZ 2.7Å; Q1145-K1149 WeakPolarHBondContact O-CG 3.38Å; G1146-K1149 PolarHBondContact O-N 2.83Å; L1147-K1149 VanDerWaalsContact C-N 3.35Å; K1149-S1151 VanDerWaalsContact CB-OG 3.32Å; K1149-S1151 WeakPolarHBondContact CB-OG 3.48Å; K1149-S1151 PolarHBondContact O-N 3.31Å |
| 1150 | L | 92.4 | Very high | 94.7 | Very high | 40 Ų | 40 | 24.2 Ų | 24.2 | 21% | 0.209 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 23.5 | -168.7 | -47.9 | 176.6 | 0 | 0 | 0 | 113.2 | G1146 L1147 Y1148 R1185 R1186 F1189 L1206 | G1146-L1150 PolarHBondContact O-N 3.47Å; L1147-L1150 PolarHBondContact O-N 2.9Å; Y1148-L1150 PolarHBondContact O-N 2.74Å; L1150-R1185 HydrophobicContact CD2-CG 4.5Å; L1150-R1186 HydrophobicContact CD2-CG 3.61Å; L1150-F1189 HydrophobicContact CD1-CB 4.09Å; L1150-F1189 HydrophobicContact CD1-CD1 4.11Å; L1150-F1189 HydrophobicContact CD1-CD2 3.8Å; L1150-F1189 HydrophobicContact CD1-CE2 4.24Å; L1150-F1189 HydrophobicContact CD1-CG 3.72Å; L1150-L1206 HydrophobicContact CD1-CD2 4.2Å |
| 1151 | S | 91 | Very high | 94.6 | Very high | 34 Ų | 34 | 24.2 Ų | 24.2 | 24% | 0.238 | 12% | 0.119 | C | C | . | . | trans | -107.4 | 8.1 | -179.1 | 54.6 | 0 | 0 | 0 | 0 | 114.5 | R1108 G1146 K1149 | R1108-S1151 VanDerWaalsContact CA-O 3.27Å; R1108-S1151 WeakPolarHBondContact CA-O 3.31Å; R1108-S1151 VanDerWaalsContact CB-O 3.3Å; R1108-S1151 WeakPolarHBondContact CB-O 3.3Å; R1108-S1151 WeakPolarHBondContact CG-O 3.37Å; G1146-S1151 PolarHBondContact O-N 3.25Å; G1146-S1151 PolarHBondContact O-OG 2.98Å; K1149-S1151 VanDerWaalsContact CB-OG 3.32Å; K1149-S1151 WeakPolarHBondContact CB-OG 3.48Å; K1149-S1151 PolarHBondContact O-N 3.31Å | ||
| 1152 | L | 93.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 3% | 0.031 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -113.5 | 140.4 | 161.6 | -81.4 | 173.2 | 0 | 0 | 0 | 108.9 | L1104 A1107 R1108 L1143 G1146 L1147 Y1156 | L1104-L1152 HydrophobicContact CD2-CD1 4Å; L1104-L1152 HydrophobicContact CD2-CD2 4.42Å; A1107-L1152 HydrophobicContact CB-CD2 3.98Å; R1108-L1152 HydrophobicContact CG-CD2 4Å; R1108-L1152 HydrophobicContact CG-CG 4.4Å; L1143-L1152 HydrophobicContact CD1-CD1 4.25Å; G1146-L1152 PolarHBondContact O-N 3.1Å; L1147-L1152 HydrophobicContact CD2-CB 3.84Å; L1147-L1152 HydrophobicContact CG-CB 4.12Å; L1147-L1152 HydrophobicContact CG-CD1 4.29Å; L1152-Y1156 HydrophobicContact CD2-CD2 4.41Å; L1152-Y1156 HydrophobicContact CD2-CG 4.39Å |
| 1153 | P | 93.5 | Very high | 94.7 | Very high | 26 Ų | 26 | 17.5 Ų | 17.5 | 17% | 0.169 | 9% | 0.086 | C | C | . | . | trans | -55.2 | 156.6 | 174.1 | -23.7 | 31 | 0 | 0 | 0 | 113.2 | A1107 V1113 E1155 Y1156 | A1107-P1153 WeakPolarHBondContact O-CD 3.19Å; V1113-P1153 HydrophobicContact CG1-CG 4.25Å; V1113-P1153 HydrophobicContact CG2-CG 3.78Å; P1153-E1155 VanDerWaalsContact C-N 3.26Å; P1153-E1155 HydrophobicContact CB-CG 4.06Å; P1153-E1155 PolarHBondContact O-N 3.02Å; P1153-Y1156 HydrophobicContact CB-CD2 4.2Å; P1153-Y1156 HydrophobicContact CG-CD2 4.25Å; P1153-Y1156 HydrophobicContact CG-CE2 4.27Å; P1153-Y1156 PolarHBondContact O-N 3.05Å; P1153-Y1156 VanDerWaalsContact O-N 3.16Å | ||
| 1154 | L | 94.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -62.9 | -30.4 | -175 | -171.9 | 63.2 | 0 | 0 | 0 | 113.2 | Y1156 M1157 F1204 L1207 V1211 | L1154-Y1156 PolarHBondContact O-N 3.41Å; L1154-M1157 HydrophobicContact CD1-CB 4.2Å; L1154-M1157 HydrophobicContact CD1-SD 4.06Å; L1154-M1157 WeakPolarHBondContact O-CA 3.33Å; L1154-M1157 WeakPolarHBondContact O-CB 3.31Å; L1154-M1157 PolarHBondContact O-N 3.12Å; L1154-F1204 VanDerWaalsContact CD2-O 3.24Å; L1154-F1204 WeakPolarHBondContact CD2-O 2.89Å; L1154-L1207 VanDerWaalsContact CD2-O 3.28Å; L1154-L1207 WeakPolarHBondContact CD2-O 3.19Å; L1154-V1211 HydrophobicContact CD1-CB 4.42Å; L1154-V1211 HydrophobicContact CG-CB 4.36Å |
| 1155 | E | 94.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 21 Ų | 21 | 18% | 0.182 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -54.6 | -33.5 | 174.9 | 68.3 | -141.6 | -162.3 | 0 | 0 | 113.4 | V1113 Y1121 P1153 M1157 A1158 Y1214 | V1113-E1155 WeakPolarHBondContact CG1-OE1 3.32Å; Y1121-E1155 HydrophobicContact CE2-CB 4.39Å; Y1121-E1155 HydrophobicContact CE2-CG 4.07Å; Y1121-E1155 PolarHBondContact OH-O 3.22Å; P1153-E1155 VanDerWaalsContact C-N 3.26Å; P1153-E1155 HydrophobicContact CB-CG 4.06Å; P1153-E1155 PolarHBondContact O-N 3.02Å; E1155-M1157 PolarHBondContact O-N 3.28Å; E1155-A1158 WeakPolarHBondContact O-CB 3.28Å; E1155-A1158 PolarHBondContact O-N 3.45Å; E1155-Y1214 HydrophobicContact CB-CD1 3.38Å; E1155-Y1214 HydrophobicContact CB-CE1 3.57Å; E1155-Y1214 HydrophobicContact CB-CG 4.01Å |
| 1156 | Y | 97 | Very high | 94.3 | Very high | 1 Ų | 1 | 19 Ų | 19 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -67.8 | -19.2 | 176.8 | -73.2 | -91.3 | 0 | 0 | 0 | 112.2 | W1103 L1104 A1107 I1116 Y1121 L1143 L1152 P1153 L1154 A1158 I1159 | W1103-Y1156 AromaticContact CD1-CE1 3.95Å; W1103-Y1156 AromaticContact NE1-CE1 3.92Å; W1103-Y1156 AromaticContact NE1-CZ 4Å; W1103-Y1156 PolarHBondContact NE1-OH 2.96Å; W1103-Y1156 VanDerWaalsContact NE1-OH 3.17Å; L1104-Y1156 HydrophobicContact CD2-CD1 3.51Å; L1104-Y1156 HydrophobicContact CD2-CE1 3.72Å; A1107-Y1156 HydrophobicContact CB-CE1 4.25Å; A1107-Y1156 HydrophobicContact CB-CE2 3.92Å; A1107-Y1156 WeakPolarHBondContact CB-OH 3.24Å; I1116-Y1156 VanDerWaalsContact CD1-OH 3.28Å; I1116-Y1156 WeakPolarHBondContact CD1-OH 3.49Å; Y1121-Y1156 HydrophobicContact CD2-CE1 4.36Å; Y1121-Y1156 HydrophobicContact CE2-CD1 4.47Å; Y1121-Y1156 HydrophobicContact CE2-CE1 4.41Å; L1143-Y1156 HydrophobicContact CD1-CD1 4.42Å; L1152-Y1156 HydrophobicContact CD2-CD2 4.41Å; L1152-Y1156 HydrophobicContact CD2-CG 4.39Å; P1153-Y1156 HydrophobicContact CB-CD2 4.2Å; P1153-Y1156 HydrophobicContact CG-CD2 4.25Å; P1153-Y1156 HydrophobicContact CG-CE2 4.27Å; P1153-Y1156 PolarHBondContact O-N 3.05Å; P1153-Y1156 VanDerWaalsContact O-N 3.16Å; L1154-Y1156 PolarHBondContact O-N 3.41Å; Y1156-A1158 VanDerWaalsContact C-N 3.28Å; Y1156-I1159 HydrophobicContact CD1-CD1 3.74Å; Y1156-I1159 HydrophobicContact CE1-CD1 4.48Å; Y1156-I1159 HydrophobicContact CG-CD1 4.44Å; Y1156-I1159 WeakPolarHBondContact O-CB 3.34Å |
| 1157 | M | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -74.2 | -17.6 | 172.5 | -167.1 | 160.4 | 165.6 | 0 | 0 | 112.4 | L1147 L1154 E1155 I1159 F1160 F1179 N1182 I1183 P1208 V1211 | L1147-M1157 HydrophobicContact CD1-CB 4.05Å; L1147-M1157 HydrophobicContact CD1-CG 4.46Å; L1147-M1157 HydrophobicContact CD2-CB 4.05Å; L1154-M1157 HydrophobicContact CD1-CB 4.2Å; L1154-M1157 HydrophobicContact CD1-SD 4.06Å; L1154-M1157 WeakPolarHBondContact O-CA 3.33Å; L1154-M1157 WeakPolarHBondContact O-CB 3.31Å; L1154-M1157 PolarHBondContact O-N 3.12Å; E1155-M1157 PolarHBondContact O-N 3.28Å; M1157-I1159 VanDerWaalsContact C-N 3.33Å; M1157-F1160 WeakPolarHBondContact O-CD2 3.23Å; M1157-F1179 HydrophobicContact CE-CD2 3.81Å; M1157-F1179 HydrophobicContact CE-CE2 3.47Å; M1157-F1179 VanDerWaalsContact CE-CE2 3.47Å; M1157-F1179 HydrophobicContact CE-CZ 3.93Å; M1157-F1179 HydrophobicContact CG-CD2 4.07Å; M1157-F1179 HydrophobicContact CG-CE2 3.68Å; M1157-F1179 HydrophobicContact SD-CE2 4.46Å; M1157-N1182 HydrophobicContact CE-CB 3.82Å; M1157-N1182 HydrophobicContact SD-CB 3.98Å; M1157-I1183 HydrophobicContact CE-CG1 3.61Å; M1157-P1208 HydrophobicContact CE-CB 4.19Å; M1157-V1211 HydrophobicContact CB-CG2 3.84Å; M1157-V1211 HydrophobicContact CG-CG2 4.15Å |
| 1158 | A | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -70 | -28.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | E1155 Y1156 F1160 A1161 V1211 V1215 L1218 | E1155-A1158 WeakPolarHBondContact O-CB 3.28Å; E1155-A1158 PolarHBondContact O-N 3.45Å; Y1156-A1158 VanDerWaalsContact C-N 3.28Å; A1158-F1160 PolarHBondContact O-N 3.41Å; A1158-A1161 VanDerWaalsContact O-CB 3.25Å; A1158-A1161 WeakPolarHBondContact O-CB 3.46Å; A1158-A1161 PolarHBondContact O-N 2.94Å; A1158-V1211 HydrophobicContact CB-CG2 4.1Å; A1158-V1215 HydrophobicContact CB-CB 4.48Å; A1158-V1215 HydrophobicContact CB-CG2 3.5Å; A1158-V1215 VanDerWaalsContact CB-CG2 3.5Å; A1158-L1218 HydrophobicContact CB-CD2 3.92Å |
| 1159 | I | 97.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -56.4 | -25.1 | -179.5 | -57.5 | 175.5 | 0 | 0 | 0 | 112 | Y1121 S1125 I1128 F1139 L1143 Y1156 M1157 A1161 H1162 | Y1121-I1159 HydrophobicContact CE2-CD1 4.32Å; Y1121-I1159 HydrophobicContact CE2-CG1 4.49Å; S1125-I1159 WeakPolarHBondContact O-CG2 3.39Å; I1128-I1159 HydrophobicContact CB-CG2 4Å; I1128-I1159 HydrophobicContact CD1-CG2 4.03Å; I1128-I1159 HydrophobicContact CG2-CG2 3.88Å; F1139-I1159 HydrophobicContact CE1-CG2 4.19Å; L1143-I1159 HydrophobicContact CD1-CD1 4.31Å; L1143-I1159 HydrophobicContact CD2-CB 4.17Å; L1143-I1159 HydrophobicContact CD2-CG2 4.16Å; Y1156-I1159 HydrophobicContact CD1-CD1 3.74Å; Y1156-I1159 HydrophobicContact CE1-CD1 4.48Å; Y1156-I1159 HydrophobicContact CG-CD1 4.44Å; Y1156-I1159 WeakPolarHBondContact O-CB 3.34Å; M1157-I1159 VanDerWaalsContact C-N 3.33Å; I1159-A1161 PolarHBondContact O-N 3.09Å; I1159-A1161 VanDerWaalsContact O-N 3.16Å; I1159-H1162 PolarHBondContact O-N 2.76Å |
| 1160 | F | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -57.7 | -25.6 | 172.9 | -80.1 | -91.4 | 0 | 0 | 0 | 113.7 | L1140 L1143 L1147 M1157 A1158 H1162 S1163 A1175 L1178 F1179 F1243 I1244 | L1140-F1160 HydrophobicContact CD1-CD1 4.38Å; L1140-F1160 HydrophobicContact CD1-CE1 3.58Å; L1140-F1160 HydrophobicContact CD1-CZ 3.91Å; L1143-F1160 HydrophobicContact CD2-CD2 4.27Å; L1143-F1160 HydrophobicContact CD2-CE2 3.95Å; L1143-F1160 HydrophobicContact CD2-CZ 4.48Å; L1143-F1160 HydrophobicContact CG-CE2 4.28Å; L1147-F1160 HydrophobicContact CD1-CE2 3.8Å; M1157-F1160 WeakPolarHBondContact O-CD2 3.23Å; A1158-F1160 PolarHBondContact O-N 3.41Å; F1160-H1162 VanDerWaalsContact C-N 3.35Å; F1160-H1162 PolarHBondContact O-N 3.06Å; F1160-S1163 WeakPolarHBondContact O-CB 3.48Å; F1160-S1163 PolarHBondContact O-N 2.9Å; F1160-S1163 PolarHBondContact O-OG 2.95Å; F1160-S1163 VanDerWaalsContact O-OG 3.05Å; F1160-A1175 HydrophobicContact CD1-CB 4.23Å; F1160-A1175 WeakPolarHBondContact CD1-O 3.29Å; F1160-A1175 HydrophobicContact CE1-CB 4.39Å; F1160-A1175 WeakPolarHBondContact CE1-O 3.22Å; F1160-L1178 HydrophobicContact CE1-CB 4.17Å; F1160-L1178 HydrophobicContact CZ-CB 4.32Å; F1160-F1179 HydrophobicContact CB-CD2 3.75Å; F1160-F1179 HydrophobicContact CB-CE2 4.28Å; F1160-F1179 HydrophobicContact CB-CG 4.42Å; F1160-F1179 HydrophobicContact CD1-CB 3.79Å; F1160-F1179 HydrophobicContact CD1-CD2 4.18Å; F1160-F1179 HydrophobicContact CD1-CG 4.39Å; F1160-F1179 AromaticContact CD2-CD2 3.88Å; F1160-F1179 HydrophobicContact CD2-CD2 3.88Å; F1160-F1179 HydrophobicContact CE1-CB 4.02Å; F1160-F1179 HydrophobicContact CG-CB 4.18Å; F1160-F1179 AromaticContact CG-CD2 3.68Å; F1160-F1179 HydrophobicContact CG-CD2 3.68Å; F1160-F1179 HydrophobicContact CG-CG 4.31Å; F1160-F1243 WeakPolarHBondContact O-CE1 3.43Å; F1160-I1244 HydrophobicContact CB-CD1 3.8Å |
| 1161 | A | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -58.3 | -43.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1158 I1159 S1163 V1164 V1215 A1240 I1244 | A1158-A1161 VanDerWaalsContact O-CB 3.25Å; A1158-A1161 WeakPolarHBondContact O-CB 3.46Å; A1158-A1161 PolarHBondContact O-N 2.94Å; I1159-A1161 PolarHBondContact O-N 3.09Å; I1159-A1161 VanDerWaalsContact O-N 3.16Å; A1161-S1163 PolarHBondContact O-N 2.94Å; A1161-S1163 VanDerWaalsContact O-N 3.16Å; A1161-V1164 PolarHBondContact O-N 2.69Å; A1161-V1215 HydrophobicContact CB-CG1 3.87Å; A1161-V1215 HydrophobicContact CB-CG2 4.4Å; A1161-A1240 HydrophobicContact CB-CB 4.27Å; A1161-A1240 WeakPolarHBondContact O-CB 3.34Å; A1161-I1244 HydrophobicContact CB-CD1 4.41Å; A1161-I1244 HydrophobicContact CB-CG1 3.91Å |
| 1162 | H | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -65.1 | -17.9 | 177.3 | -55.7 | -60.8 | 0 | 0 | 0 | 113.1 | S1125 Y1126 I1128 C1129 I1159 F1160 V1164 N1165 L1218 | S1125-H1162 WeakPolarHBondContact CB-NE2 3.42Å; S1125-H1162 PolarHBondContact OG-CD2 2.99Å; S1125-H1162 PolarHBondContact OG-NE2 3.27Å; Y1126-H1162 AromaticContact CE1-CE1 3.76Å; Y1126-H1162 AromaticContact CE1-ND1 3.75Å; Y1126-H1162 AromaticContact CE2-CE1 3.72Å; Y1126-H1162 AromaticContact CE2-NE2 3.96Å; Y1126-H1162 AromaticContact CZ-CE1 3.37Å; Y1126-H1162 AromaticContact CZ-ND1 3.84Å; Y1126-H1162 PolarHBondContact OH-CE1 3.46Å; I1128-H1162 HydrophobicContact CG2-CB 3.69Å; C1129-H1162 PolarHBondContact SG-O 3.2Å; I1159-H1162 PolarHBondContact O-N 2.76Å; F1160-H1162 VanDerWaalsContact C-N 3.35Å; F1160-H1162 PolarHBondContact O-N 3.06Å; H1162-V1164 PolarHBondContact O-N 3.12Å; H1162-N1165 WeakPolarHBondContact O-CB 3.42Å; H1162-N1165 PolarHBondContact O-N 3.28Å; H1162-L1218 WeakPolarHBondContact NE2-CD1 3.42Å; H1162-L1218 WeakPolarHBondContact NE2-CD2 3.34Å; H1162-L1218 WeakPolarHBondContact NE2-CG 3.12Å |
| 1163 | S | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -56.8 | -25.7 | 179.3 | -59.2 | 0 | 0 | 0 | 0 | 112.7 | I1128 F1160 A1161 N1165 V1166 K1172 | I1128-S1163 VanDerWaalsContact CD1-OG 3.31Å; I1128-S1163 WeakPolarHBondContact CD1-OG 3.47Å; F1160-S1163 WeakPolarHBondContact O-CB 3.48Å; F1160-S1163 PolarHBondContact O-N 2.9Å; F1160-S1163 PolarHBondContact O-OG 2.95Å; F1160-S1163 VanDerWaalsContact O-OG 3.05Å; A1161-S1163 PolarHBondContact O-N 2.94Å; A1161-S1163 VanDerWaalsContact O-N 3.16Å; S1163-N1165 PolarHBondContact O-N 2.79Å; S1163-V1166 WeakPolarHBondContact O-CB 3.36Å; S1163-V1166 PolarHBondContact O-N 3Å; S1163-K1172 WeakPolarHBondContact O-CG 3.31Å |
| 1164 | V | 93.9 | Very high | 95.1 | Very high | 34 Ų | 34 | 36.3 Ų | 36.3 | 21% | 0.206 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -64 | -28.8 | 176.4 | 112.5 | 0 | 0 | 0 | 0 | 112.9 | A1161 H1162 V1166 A1240 F1243 | A1161-V1164 PolarHBondContact O-N 2.69Å; H1162-V1164 PolarHBondContact O-N 3.12Å; V1164-V1166 VanDerWaalsContact C-N 3.26Å; V1164-V1166 PolarHBondContact O-N 2.66Å; V1164-A1240 HydrophobicContact CG1-CB 4.1Å; V1164-F1243 HydrophobicContact CG2-CB 4.04Å; V1164-F1243 HydrophobicContact CG2-CD2 3.9Å; V1164-F1243 HydrophobicContact CG2-CG 4.18Å |
| 1165 | N | 91.6 | Very high | 95.2 | Very high | 69 Ų | 69 | 36.1 Ų | 36.1 | 37% | 0.369 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -76.1 | -12.7 | -178.6 | -65.4 | -16.3 | 0 | 0 | 0 | 112.9 | H1162 S1163 | H1162-N1165 WeakPolarHBondContact O-CB 3.42Å; H1162-N1165 PolarHBondContact O-N 3.28Å; S1163-N1165 PolarHBondContact O-N 2.79Å |
| 1166 | V | 93.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 6% | 0.055 | 20% | 0.204 | C | C | . | . | trans | -70.9 | 132.6 | 173.3 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | S1163 V1164 E1168 F1171 K1172 | S1163-V1166 WeakPolarHBondContact O-CB 3.36Å; S1163-V1166 PolarHBondContact O-N 3Å; V1164-V1166 VanDerWaalsContact C-N 3.26Å; V1164-V1166 PolarHBondContact O-N 2.66Å; V1166-E1168 HydrophobicContact CG1-CB 3.84Å; V1166-F1171 HydrophobicContact CB-CD1 3.96Å; V1166-F1171 HydrophobicContact CB-CE1 4.44Å; V1166-F1171 HydrophobicContact CG1-CB 4.2Å; V1166-F1171 HydrophobicContact CG1-CD1 3.81Å; V1166-F1171 HydrophobicContact CG1-CG 4.2Å; V1166-F1171 HydrophobicContact CG2-CD1 3.85Å; V1166-F1171 HydrophobicContact CG2-CE1 3.83Å; V1166-K1172 VanDerWaalsContact O-CD 3.29Å; V1166-K1172 WeakPolarHBondContact O-CD 3.49Å; V1166-K1172 WeakPolarHBondContact O-CE 3.48Å; V1166-K1172 PolarHBondContact O-NZ 3.05Å | ||
| 1167 | S | 90.8 | Very high | 95.3 | Very high | 107 Ų | 107 | 42.6 Ų | 42.6 | 75% | 0.748 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -63.4 | -48 | 178.7 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | P1169 K1172 | S1167-P1169 WeakPolarHBondContact O-CD 3.32Å; S1167-K1172 WeakPolarHBondContact O-CE 3.03Å; S1167-K1172 PolarHBondContact O-NZ 2.73Å |
| 1168 | E | 93.4 | Very high | 95.3 | Very high | 62 Ų | 62 | 44.2 Ų | 44.2 | 29% | 0.29 | 24% | 0.238 | S | C | . | . | trans | -52.4 | 115.2 | -176.3 | -165.9 | -161.5 | 135.1 | 0 | 0 | 114.3 | R1136 V1166 F1171 K1172 | R1136-E1168 IonicContact CZ-OE2 3.97Å; R1136-E1168 VanDerWaalsContact CZ-OE2 3.3Å; R1136-E1168 IonicContact NH1-OE2 2.74Å; R1136-E1168 PolarHBondContact NH1-OE2 3.35Å; R1136-E1168 IonicContact NH2-OE2 3.15Å; R1136-E1168 PolarHBondContact NH2-OE2 2.91Å; V1166-E1168 HydrophobicContact CG1-CB 3.84Å; E1168-F1171 HydrophobicContact CB-CB 4.13Å; E1168-F1171 HydrophobicContact CG-CB 4.16Å; E1168-F1171 WeakPolarHBondContact OE1-CB 3.34Å; E1168-F1171 PolarHBondContact OE1-N 3.5Å; E1168-F1171 VanDerWaalsContact OE1-N 3.12Å; E1168-K1172 VanDerWaalsContact O-CE 3.28Å; E1168-K1172 WeakPolarHBondContact O-CE 3.42Å; E1168-K1172 PolarHBondContact O-N 3Å | ||
| 1169 | P | 93.1 | Very high | 95.3 | Very high | 100 Ų | 100 | 44.2 Ų | 44.2 | 65% | 0.649 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.1 | -38.9 | -179.9 | -24.3 | 35.2 | 0 | 0 | 0 | 114.2 | S1167 K1172 Q1173 | S1167-P1169 WeakPolarHBondContact O-CD 3.32Å; P1169-K1172 PolarHBondContact O-N 3.24Å; P1169-Q1173 PolarHBondContact O-N 3.38Å |
| 1170 | A | 93.6 | Very high | 95.2 | Very high | 61 Ų | 61 | 47 Ų | 47 | 50% | 0.504 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1172 Q1173 R1174 | A1170-K1172 PolarHBondContact O-N 3.1Å; A1170-Q1173 PolarHBondContact O-N 2.62Å; A1170-R1174 WeakPolarHBondContact O-CB 3.45Å; A1170-R1174 PolarHBondContact O-N 3.39Å |
| 1171 | F | 96 | Very high | 95.1 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.1 | -48.2 | 171.3 | -173.1 | -94.9 | 0 | 0 | 0 | 112.7 | I1128 R1136 L1140 V1166 E1168 Q1173 R1174 A1175 | I1128-F1171 HydrophobicContact CG1-CE1 4.17Å; I1128-F1171 HydrophobicContact CG1-CZ 3.84Å; R1136-F1171 HydrophobicContact CB-CD2 4.29Å; R1136-F1171 HydrophobicContact CB-CE2 3.64Å; R1136-F1171 HydrophobicContact CB-CZ 3.91Å; L1140-F1171 HydrophobicContact CB-CE2 4.01Å; L1140-F1171 HydrophobicContact CB-CZ 4.11Å; L1140-F1171 HydrophobicContact CD2-CD2 4.14Å; L1140-F1171 HydrophobicContact CD2-CE2 3.55Å; L1140-F1171 HydrophobicContact CD2-CZ 3.78Å; L1140-F1171 HydrophobicContact CG-CE2 4.41Å; L1140-F1171 HydrophobicContact CG-CZ 4.46Å; V1166-F1171 HydrophobicContact CB-CD1 3.96Å; V1166-F1171 HydrophobicContact CB-CE1 4.44Å; V1166-F1171 HydrophobicContact CG1-CB 4.2Å; V1166-F1171 HydrophobicContact CG1-CD1 3.81Å; V1166-F1171 HydrophobicContact CG1-CG 4.2Å; V1166-F1171 HydrophobicContact CG2-CD1 3.85Å; V1166-F1171 HydrophobicContact CG2-CE1 3.83Å; E1168-F1171 HydrophobicContact CB-CB 4.13Å; E1168-F1171 HydrophobicContact CG-CB 4.16Å; E1168-F1171 WeakPolarHBondContact OE1-CB 3.34Å; E1168-F1171 PolarHBondContact OE1-N 3.5Å; E1168-F1171 VanDerWaalsContact OE1-N 3.12Å; F1171-Q1173 PolarHBondContact O-N 3.15Å; F1171-R1174 PolarHBondContact O-N 3.06Å; F1171-A1175 WeakPolarHBondContact O-CB 3.45Å; F1171-A1175 PolarHBondContact O-N 2.81Å |
| 1172 | K | 95.4 | Very high | 95 | Very high | 57 Ų | 57 | 48.3 Ų | 48.3 | 25% | 0.248 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 178.5 | -82 | 176.4 | -67.1 | -154.8 | 0 | 112.5 | S1163 V1166 S1167 E1168 P1169 A1170 A1175 K1176 | S1163-K1172 WeakPolarHBondContact O-CG 3.31Å; V1166-K1172 VanDerWaalsContact O-CD 3.29Å; V1166-K1172 WeakPolarHBondContact O-CD 3.49Å; V1166-K1172 WeakPolarHBondContact O-CE 3.48Å; V1166-K1172 PolarHBondContact O-NZ 3.05Å; S1167-K1172 WeakPolarHBondContact O-CE 3.03Å; S1167-K1172 PolarHBondContact O-NZ 2.73Å; E1168-K1172 VanDerWaalsContact O-CE 3.28Å; E1168-K1172 WeakPolarHBondContact O-CE 3.42Å; E1168-K1172 PolarHBondContact O-N 3Å; P1169-K1172 PolarHBondContact O-N 3.24Å; A1170-K1172 PolarHBondContact O-N 3.1Å; K1172-A1175 PolarHBondContact O-N 3.02Å; K1172-K1176 WeakPolarHBondContact O-CB 3.09Å; K1172-K1176 PolarHBondContact O-N 3.06Å |
| 1173 | Q | 95.6 | Very high | 95 | Very high | 126 Ų | 126 | 48.6 Ų | 48.6 | 59% | 0.589 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.4 | -46.7 | 176.8 | -171.3 | 179 | 16 | 0 | 0 | 111.3 | P1169 A1170 F1171 K1176 Q1177 | P1169-Q1173 PolarHBondContact O-N 3.38Å; A1170-Q1173 PolarHBondContact O-N 2.62Å; F1171-Q1173 PolarHBondContact O-N 3.15Å; Q1173-K1176 PolarHBondContact O-N 3.25Å; Q1173-Q1177 WeakPolarHBondContact O-CG 3.38Å; Q1173-Q1177 PolarHBondContact O-N 3.03Å |
| 1174 | R | 95.9 | Very high | 94.9 | Very high | 89 Ų | 89 | 54.6 Ų | 54.6 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 177 | -175.4 | 178.9 | 178 | -141 | -4.5 | 111.8 | S1137 L1140 T1141 A1170 F1171 K1176 Q1177 L1178 | S1137-R1174 PolarHBondContact OG-NH1 2.72Å; L1140-R1174 HydrophobicContact CD2-CG 4.41Å; T1141-R1174 PolarHBondContact OG1-NH2 2.88Å; A1170-R1174 WeakPolarHBondContact O-CB 3.45Å; A1170-R1174 PolarHBondContact O-N 3.39Å; F1171-R1174 PolarHBondContact O-N 3.06Å; R1174-K1176 PolarHBondContact O-N 2.81Å; R1174-Q1177 PolarHBondContact O-N 3.28Å; R1174-L1178 HydrophobicContact CG-CD1 4.33Å; R1174-L1178 VanDerWaalsContact O-CG 3.31Å; R1174-L1178 WeakPolarHBondContact O-CG 3.39Å; R1174-L1178 PolarHBondContact O-N 2.66Å |
| 1175 | A | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1140 F1160 F1171 K1172 Q1177 L1178 F1179 F1243 | L1140-A1175 HydrophobicContact CD1-CB 4.33Å; L1140-A1175 HydrophobicContact CD2-CB 4.06Å; F1160-A1175 HydrophobicContact CD1-CB 4.23Å; F1160-A1175 WeakPolarHBondContact CD1-O 3.29Å; F1160-A1175 HydrophobicContact CE1-CB 4.39Å; F1160-A1175 WeakPolarHBondContact CE1-O 3.22Å; F1171-A1175 WeakPolarHBondContact O-CB 3.45Å; F1171-A1175 PolarHBondContact O-N 2.81Å; K1172-A1175 PolarHBondContact O-N 3.02Å; A1175-Q1177 PolarHBondContact O-N 3.4Å; A1175-L1178 PolarHBondContact O-N 3.38Å; A1175-F1179 WeakPolarHBondContact O-CB 3.24Å; A1175-F1179 PolarHBondContact O-N 2.87Å; A1175-F1243 HydrophobicContact CB-CZ 4.18Å |
| 1176 | K | 96.4 | Very high | 94.8 | Very high | 60 Ų | 60 | 53.7 Ų | 53.7 | 26% | 0.261 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 178.6 | -158.9 | 174.4 | -173.8 | 178.7 | 0 | 112.8 | K1172 Q1173 R1174 F1179 I1180 F1243 E1246 | K1172-K1176 WeakPolarHBondContact O-CB 3.09Å; K1172-K1176 PolarHBondContact O-N 3.06Å; Q1173-K1176 PolarHBondContact O-N 3.25Å; R1174-K1176 PolarHBondContact O-N 2.81Å; K1176-F1179 PolarHBondContact O-N 3.21Å; K1176-I1180 HydrophobicContact CG-CD1 4.24Å; K1176-I1180 WeakPolarHBondContact O-CD1 3.33Å; K1176-I1180 VanDerWaalsContact O-CG1 3.28Å; K1176-I1180 WeakPolarHBondContact O-CG1 3.33Å; K1176-I1180 PolarHBondContact O-N 2.9Å; K1176-F1243 HydrophobicContact CB-CE2 3.78Å; K1176-F1243 HydrophobicContact CB-CZ 3.66Å; K1176-F1243 HydrophobicContact CD-CD2 4.32Å; K1176-F1243 HydrophobicContact CD-CE2 4.06Å; K1176-F1243 HydrophobicContact CG-CE2 4.04Å; K1176-F1243 HydrophobicContact CG-CZ 4.13Å; K1176-E1246 IonicContact NZ-OE2 2.76Å; K1176-E1246 PolarHBondContact NZ-OE2 2.8Å |
| 1177 | Q | 96.3 | Very high | 94.6 | Very high | 115 Ų | 115 | 55.9 Ų | 55.9 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 174.7 | -74 | 170.5 | -13.3 | 0 | 0 | 112.1 | Q1173 R1174 A1175 F1179 I1180 A1181 | Q1173-Q1177 WeakPolarHBondContact O-CG 3.38Å; Q1173-Q1177 PolarHBondContact O-N 3.03Å; R1174-Q1177 PolarHBondContact O-N 3.28Å; A1175-Q1177 PolarHBondContact O-N 3.4Å; Q1177-F1179 VanDerWaalsContact C-N 3.35Å; Q1177-I1180 PolarHBondContact O-N 3.17Å; Q1177-A1181 WeakPolarHBondContact O-CB 3.23Å; Q1177-A1181 PolarHBondContact O-N 3.37Å |
| 1178 | L | 97 | Very high | 94.3 | Very high | 35 Ų | 35 | 53.2 Ų | 53.2 | 18% | 0.183 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.2 | -37 | 177.4 | -65.4 | 179 | 0 | 0 | 0 | 111.8 | L1140 N1144 F1160 R1174 A1175 A1181 N1182 | L1140-L1178 HydrophobicContact CD1-CD1 4.18Å; L1140-L1178 HydrophobicContact CD2-CD1 4.26Å; L1140-L1178 HydrophobicContact CG-CD1 3.98Å; N1144-L1178 HydrophobicContact CB-CB 4.42Å; N1144-L1178 HydrophobicContact CB-CD1 4.01Å; F1160-L1178 HydrophobicContact CE1-CB 4.17Å; F1160-L1178 HydrophobicContact CZ-CB 4.32Å; R1174-L1178 HydrophobicContact CG-CD1 4.33Å; R1174-L1178 VanDerWaalsContact O-CG 3.31Å; R1174-L1178 WeakPolarHBondContact O-CG 3.39Å; R1174-L1178 PolarHBondContact O-N 2.66Å; A1175-L1178 PolarHBondContact O-N 3.38Å; L1178-A1181 PolarHBondContact O-N 3.35Å; L1178-N1182 PolarHBondContact O-N 3.05Å; L1178-N1182 VanDerWaalsContact O-N 3.08Å; L1178-N1182 PolarHBondContact O-ND2 3.49Å |
| 1179 | F | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.5 | -49.8 | 173.8 | -174.9 | -105.9 | 0 | 0 | 0 | 111.9 | M1157 F1160 A1175 K1176 Q1177 A1181 N1182 I1183 V1211 I1244 P1247 I1248 | M1157-F1179 HydrophobicContact CE-CD2 3.81Å; M1157-F1179 HydrophobicContact CE-CE2 3.47Å; M1157-F1179 VanDerWaalsContact CE-CE2 3.47Å; M1157-F1179 HydrophobicContact CE-CZ 3.93Å; M1157-F1179 HydrophobicContact CG-CD2 4.07Å; M1157-F1179 HydrophobicContact CG-CE2 3.68Å; M1157-F1179 HydrophobicContact SD-CE2 4.46Å; F1160-F1179 HydrophobicContact CB-CD2 3.75Å; F1160-F1179 HydrophobicContact CB-CE2 4.28Å; F1160-F1179 HydrophobicContact CB-CG 4.42Å; F1160-F1179 HydrophobicContact CD1-CB 3.79Å; F1160-F1179 HydrophobicContact CD1-CD2 4.18Å; F1160-F1179 HydrophobicContact CD1-CG 4.39Å; F1160-F1179 AromaticContact CD2-CD2 3.88Å; F1160-F1179 HydrophobicContact CD2-CD2 3.88Å; F1160-F1179 HydrophobicContact CE1-CB 4.02Å; F1160-F1179 HydrophobicContact CG-CB 4.18Å; F1160-F1179 AromaticContact CG-CD2 3.68Å; F1160-F1179 HydrophobicContact CG-CD2 3.68Å; F1160-F1179 HydrophobicContact CG-CG 4.31Å; A1175-F1179 WeakPolarHBondContact O-CB 3.24Å; A1175-F1179 PolarHBondContact O-N 2.87Å; K1176-F1179 PolarHBondContact O-N 3.21Å; Q1177-F1179 VanDerWaalsContact C-N 3.35Å; F1179-A1181 VanDerWaalsContact C-N 3.31Å; F1179-A1181 PolarHBondContact O-N 3.37Å; F1179-N1182 WeakPolarHBondContact O-CB 3.03Å; F1179-N1182 PolarHBondContact O-N 3Å; F1179-I1183 HydrophobicContact CD1-CD1 4.01Å; F1179-I1183 HydrophobicContact CE1-CD1 3.61Å; F1179-I1183 HydrophobicContact CE1-CG1 4.33Å; F1179-I1183 HydrophobicContact CZ-CD1 4.19Å; F1179-I1183 PolarHBondContact O-N 2.87Å; F1179-I1183 VanDerWaalsContact O-N 3.09Å; F1179-V1211 HydrophobicContact CZ-CG1 4.49Å; F1179-I1244 HydrophobicContact CD2-CD1 4.05Å; F1179-I1244 HydrophobicContact CE1-CD1 4.01Å; F1179-I1244 HydrophobicContact CE1-CG2 4.48Å; F1179-I1244 HydrophobicContact CE2-CD1 3.47Å; F1179-I1244 VanDerWaalsContact CE2-CD1 3.47Å; F1179-I1244 HydrophobicContact CZ-CB 4.34Å; F1179-I1244 HydrophobicContact CZ-CD1 3.48Å; F1179-I1244 VanDerWaalsContact CZ-CD1 3.48Å; F1179-I1244 HydrophobicContact CZ-CG1 4.48Å; F1179-I1244 HydrophobicContact CZ-CG2 3.92Å; F1179-P1247 HydrophobicContact CD1-CB 4.03Å; F1179-P1247 HydrophobicContact CD1-CG 3.99Å; F1179-P1247 HydrophobicContact CE1-CB 3.97Å; F1179-P1247 HydrophobicContact CE1-CG 4.14Å; F1179-I1248 HydrophobicContact CE1-CG1 4.45Å; F1179-I1248 HydrophobicContact CZ-CD1 4.22Å; F1179-I1248 HydrophobicContact CZ-CG1 4.45Å |
| 1180 | I | 96 | Very high | 93.7 | Very high | 60 Ų | 60 | 47.3 Ų | 47.3 | 31% | 0.308 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.5 | -44.4 | 174.8 | -69.8 | 161 | 0 | 0 | 0 | 111.2 | K1176 Q1177 N1182 I1183 Q1184 P1247 | K1176-I1180 HydrophobicContact CG-CD1 4.24Å; K1176-I1180 WeakPolarHBondContact O-CD1 3.33Å; K1176-I1180 VanDerWaalsContact O-CG1 3.28Å; K1176-I1180 WeakPolarHBondContact O-CG1 3.33Å; K1176-I1180 PolarHBondContact O-N 2.9Å; Q1177-I1180 PolarHBondContact O-N 3.17Å; I1180-N1182 VanDerWaalsContact C-N 3.27Å; I1180-N1182 PolarHBondContact O-N 2.94Å; I1180-I1183 PolarHBondContact O-N 2.99Å; I1180-Q1184 HydrophobicContact CG2-CG 4.41Å; I1180-Q1184 WeakPolarHBondContact O-CG 3.46Å; I1180-Q1184 PolarHBondContact O-N 3.25Å; I1180-P1247 HydrophobicContact CD1-CG 4.5Å; I1180-P1247 HydrophobicContact CG1-CB 3.9Å; I1180-P1247 HydrophobicContact CG1-CG 4.03Å |
| 1181 | A | 94.7 | Very high | 93.2 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 22% | 0.223 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -34 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1148 Q1177 L1178 F1179 R1185 | Y1148-A1181 HydrophobicContact CD2-CB 4.47Å; Y1148-A1181 HydrophobicContact CE2-CB 4.14Å; Q1177-A1181 WeakPolarHBondContact O-CB 3.23Å; Q1177-A1181 PolarHBondContact O-N 3.37Å; L1178-A1181 PolarHBondContact O-N 3.35Å; F1179-A1181 VanDerWaalsContact C-N 3.31Å; F1179-A1181 PolarHBondContact O-N 3.37Å; A1181-R1185 WeakPolarHBondContact O-CB 3.36Å; A1181-R1185 PolarHBondContact O-N 3.18Å |
| 1182 | N | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.9 | -37.5 | 175.1 | -81.5 | -81.7 | 0 | 0 | 0 | 113.1 | N1144 L1147 Y1148 M1157 L1178 F1179 I1180 R1186 | N1144-N1182 PolarHBondContact OD1-ND2 3.43Å; L1147-N1182 VanDerWaalsContact CB-OD1 3.28Å; L1147-N1182 WeakPolarHBondContact CB-OD1 3.47Å; L1147-N1182 PolarHBondContact O-OD1 3.08Å; Y1148-N1182 VanDerWaalsContact CA-OD1 3.29Å; Y1148-N1182 WeakPolarHBondContact CA-OD1 3.44Å; Y1148-N1182 PolarHBondContact N-OD1 3.2Å; M1157-N1182 HydrophobicContact CE-CB 3.82Å; M1157-N1182 HydrophobicContact SD-CB 3.98Å; L1178-N1182 PolarHBondContact O-N 3.05Å; L1178-N1182 VanDerWaalsContact O-N 3.08Å; L1178-N1182 PolarHBondContact O-ND2 3.49Å; F1179-N1182 WeakPolarHBondContact O-CB 3.03Å; F1179-N1182 PolarHBondContact O-N 3Å; I1180-N1182 VanDerWaalsContact C-N 3.27Å; I1180-N1182 PolarHBondContact O-N 2.94Å; N1182-R1186 WeakPolarHBondContact O-CB 3.3Å; N1182-R1186 WeakPolarHBondContact O-CG 3.47Å; N1182-R1186 PolarHBondContact O-N 3.43Å; N1182-R1186 PolarHBondContact OD1-NH1 2.95Å |
| 1183 | I | 95 | Very high | 91.5 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -51.4 | 171.7 | -61.7 | 176.2 | 0 | 0 | 0 | 109.7 | M1157 F1179 I1180 R1185 R1186 R1187 P1208 P1247 I1248 | M1157-I1183 HydrophobicContact CE-CG1 3.61Å; F1179-I1183 HydrophobicContact CD1-CD1 4.01Å; F1179-I1183 HydrophobicContact CE1-CD1 3.61Å; F1179-I1183 HydrophobicContact CE1-CG1 4.33Å; F1179-I1183 HydrophobicContact CZ-CD1 4.19Å; F1179-I1183 PolarHBondContact O-N 2.87Å; F1179-I1183 VanDerWaalsContact O-N 3.09Å; I1180-I1183 PolarHBondContact O-N 2.99Å; I1183-R1185 PolarHBondContact O-N 3.32Å; I1183-R1186 PolarHBondContact O-N 2.95Å; I1183-R1187 HydrophobicContact CG2-CG 4.44Å; I1183-R1187 PolarHBondContact O-N 3.26Å; I1183-P1208 HydrophobicContact CB-CB 4.29Å; I1183-P1208 HydrophobicContact CB-CG 4.38Å; I1183-P1208 HydrophobicContact CG1-CB 4.05Å; I1183-P1208 HydrophobicContact CG2-CB 4.23Å; I1183-P1208 HydrophobicContact CG2-CG 3.87Å; I1183-P1247 HydrophobicContact CD1-CB 3.54Å; I1183-I1248 HydrophobicContact CD1-CG1 3.73Å |
| 1184 | Q | 93 | Very high | 90.6 | Very high | 126 Ų | 126 | 52.8 Ų | 52.8 | 59% | 0.589 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.7 | -44.9 | -179.6 | -70.5 | 174.7 | -7.6 | 0 | 0 | 111.5 | I1180 R1186 A1188 | I1180-Q1184 HydrophobicContact CG2-CG 4.41Å; I1180-Q1184 WeakPolarHBondContact O-CG 3.46Å; I1180-Q1184 PolarHBondContact O-N 3.25Å; Q1184-R1186 VanDerWaalsContact C-N 3.33Å; Q1184-R1186 PolarHBondContact O-N 2.69Å; Q1184-A1188 WeakPolarHBondContact O-CB 3.26Å; Q1184-A1188 PolarHBondContact O-N 2.95Å |
| 1185 | R | 91.8 | Very high | 89.8 | Confident | 82 Ų | 82 | 52.3 Ų | 52.3 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.4 | -39 | 177.3 | 176.5 | 61.2 | -173.4 | 116.4 | -4.9 | 112.9 | Y1148 L1150 A1181 I1183 F1189 | Y1148-R1185 HydrophobicContact CD2-CB 3.97Å; Y1148-R1185 HydrophobicContact CD2-CG 4.12Å; Y1148-R1185 HydrophobicContact CE1-CG 4.48Å; Y1148-R1185 HydrophobicContact CE2-CB 3.7Å; Y1148-R1185 HydrophobicContact CE2-CG 4.04Å; Y1148-R1185 HydrophobicContact CG-CG 4.37Å; L1150-R1185 HydrophobicContact CD2-CG 4.5Å; A1181-R1185 WeakPolarHBondContact O-CB 3.36Å; A1181-R1185 PolarHBondContact O-N 3.18Å; I1183-R1185 PolarHBondContact O-N 3.32Å; R1185-F1189 WeakPolarHBondContact O-CB 3.37Å; R1185-F1189 PolarHBondContact O-N 2.7Å |
| 1186 | R | 92.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.7 | -51.4 | 178.2 | -81.6 | 171.8 | 165.5 | 69.7 | 4.5 | 112.4 | L1147 L1150 N1182 I1183 Q1184 A1188 F1189 L1190 L1206 P1208 | L1147-R1186 PolarHBondContact O-NH1 3.08Å; L1150-R1186 HydrophobicContact CD2-CG 3.61Å; N1182-R1186 WeakPolarHBondContact O-CB 3.3Å; N1182-R1186 WeakPolarHBondContact O-CG 3.47Å; N1182-R1186 PolarHBondContact O-N 3.43Å; N1182-R1186 PolarHBondContact OD1-NH1 2.95Å; I1183-R1186 PolarHBondContact O-N 2.95Å; Q1184-R1186 VanDerWaalsContact C-N 3.33Å; Q1184-R1186 PolarHBondContact O-N 2.69Å; R1186-A1188 VanDerWaalsContact C-N 3.3Å; R1186-A1188 PolarHBondContact O-N 2.73Å; R1186-F1189 WeakPolarHBondContact O-CB 3.4Å; R1186-F1189 PolarHBondContact O-N 3.03Å; R1186-L1190 PolarHBondContact O-N 2.9Å; R1186-L1206 WeakPolarHBondContact CB-O 3.37Å; R1186-L1206 VanDerWaalsContact CD-O 3.25Å; R1186-L1206 WeakPolarHBondContact CD-O 3.25Å; R1186-L1206 VanDerWaalsContact CG-O 3.32Å; R1186-L1206 WeakPolarHBondContact CG-O 3.22Å; R1186-P1208 HydrophobicContact CB-CB 4.39Å; R1186-P1208 HydrophobicContact CB-CG 4.11Å |
| 1187 | R | 90.1 | Very high | 88 | Confident | 55 Ų | 55 | 56.7 Ų | 56.7 | 21% | 0.208 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 175.7 | -69.6 | -177.9 | 179 | 160 | -2.4 | 111.3 | I1183 F1189 L1190 N1191 P1208 D1209 I1248 N1254 | I1183-R1187 HydrophobicContact CG2-CG 4.44Å; I1183-R1187 PolarHBondContact O-N 3.26Å; R1187-F1189 VanDerWaalsContact C-N 3.29Å; R1187-F1189 PolarHBondContact O-N 2.94Å; R1187-L1190 PolarHBondContact O-N 3.26Å; R1187-N1191 WeakPolarHBondContact O-CB 3.28Å; R1187-N1191 PolarHBondContact O-N 3.42Å; R1187-N1191 PolarHBondContact O-OD1 3.25Å; R1187-P1208 HydrophobicContact CG-CG 3.93Å; R1187-D1209 IonicContact CZ-OD1 3.95Å; R1187-D1209 IonicContact CZ-OD2 3.23Å; R1187-D1209 IonicContact NE-OD2 2.78Å; R1187-D1209 IonicContact NH2-OD1 2.91Å; R1187-D1209 PolarHBondContact NH2-OD1 2.75Å; R1187-D1209 IonicContact NH2-OD2 2.92Å; R1187-D1209 PolarHBondContact NH2-OD2 2.7Å; R1187-I1248 PolarHBondContact NH2-O 3.12Å; R1187-N1254 PolarHBondContact NH2-ND2 3.04Å |
| 1188 | A | 84.5 | Confident | 87.1 | Confident | 51 Ų | 51 | 62.4 Ų | 62.4 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.7 | -18.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1184 R1186 K1192 | Q1184-A1188 WeakPolarHBondContact O-CB 3.26Å; Q1184-A1188 PolarHBondContact O-N 2.95Å; R1186-A1188 VanDerWaalsContact C-N 3.3Å; R1186-A1188 PolarHBondContact O-N 2.73Å; A1188-K1192 WeakPolarHBondContact O-CG 3.41Å |
| 1189 | F | 87.4 | Confident | 86.3 | Confident | 36 Ų | 36 | 64 Ų | 64 | 16% | 0.158 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -81.6 | -49.6 | 171.3 | -178.9 | -92.5 | 0 | 0 | 0 | 110.8 | L1150 R1185 R1186 R1187 N1191 K1192 H1193 L1206 | L1150-F1189 HydrophobicContact CD1-CB 4.09Å; L1150-F1189 HydrophobicContact CD1-CD1 4.11Å; L1150-F1189 HydrophobicContact CD1-CD2 3.8Å; L1150-F1189 HydrophobicContact CD1-CE2 4.24Å; L1150-F1189 HydrophobicContact CD1-CG 3.72Å; R1185-F1189 WeakPolarHBondContact O-CB 3.37Å; R1185-F1189 PolarHBondContact O-N 2.7Å; R1186-F1189 WeakPolarHBondContact O-CB 3.4Å; R1186-F1189 PolarHBondContact O-N 3.03Å; R1187-F1189 VanDerWaalsContact C-N 3.29Å; R1187-F1189 PolarHBondContact O-N 2.94Å; F1189-N1191 VanDerWaalsContact C-N 3.33Å; F1189-N1191 PolarHBondContact O-N 3.18Å; F1189-K1192 WeakPolarHBondContact O-CB 3.41Å; F1189-K1192 PolarHBondContact O-N 3.13Å; F1189-H1193 AromaticContact CD2-CD2 3.65Å; F1189-H1193 AromaticContact CD2-NE2 3.92Å; F1189-H1193 AromaticContact CE1-CD2 3.98Å; F1189-H1193 AromaticContact CE2-CD2 3.44Å; F1189-H1193 VanDerWaalsContact CE2-CD2 3.44Å; F1189-H1193 WeakPolarHBondContact CE2-CD2 3.32Å; F1189-H1193 AromaticContact CE2-NE2 3.65Å; F1189-H1193 AromaticContact CZ-CD2 3.62Å; F1189-H1193 PolarHBondContact O-CD2 2.92Å; F1189-H1193 VanDerWaalsContact O-CD2 3.28Å; F1189-H1193 PolarHBondContact O-N 3.14Å; F1189-H1193 VanDerWaalsContact O-N 3.12Å; F1189-L1206 HydrophobicContact CD1-CD1 4.07Å; F1189-L1206 HydrophobicContact CD1-CD2 4.32Å; F1189-L1206 HydrophobicContact CE1-CD1 3.78Å; F1189-L1206 HydrophobicContact CE1-CD2 4.38Å |
| 1190 | L | 87 | Confident | 85.4 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59 | -43 | 177.9 | -72.4 | 171.8 | 0 | 0 | 0 | 111.9 | R1186 R1187 K1192 H1193 F1197 L1203 L1206 L1207 | R1186-L1190 PolarHBondContact O-N 2.9Å; R1187-L1190 PolarHBondContact O-N 3.26Å; L1190-K1192 PolarHBondContact O-N 3.45Å; L1190-H1193 CarbonylContact O-C 3.45Å; L1190-H1193 PolarHBondContact O-N 2.99Å; L1190-H1193 VanDerWaalsContact O-N 3.13Å; L1190-F1197 HydrophobicContact CB-CE2 3.77Å; L1190-F1197 HydrophobicContact CB-CZ 3.92Å; L1190-L1203 HydrophobicContact CD1-CD1 4.15Å; L1190-L1203 HydrophobicContact CD2-CD1 4.07Å; L1190-L1206 HydrophobicContact CD1-CB 4.34Å; L1190-L1206 HydrophobicContact CD2-CB 3.94Å; L1190-L1206 HydrophobicContact CD2-CD1 4.07Å; L1190-L1206 HydrophobicContact CG-CB 4.27Å; L1190-L1207 HydrophobicContact CD1-CB 4.28Å; L1190-L1207 HydrophobicContact CD1-CD1 3.96Å |
| 1191 | N | 83.1 | Confident | 84.7 | Confident | 125 Ų | 125 | 70.6 Ų | 70.6 | 67% | 0.668 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.6 | 176.3 | -68 | 10.2 | 0 | 0 | 0 | 113.7 | R1187 F1189 | R1187-N1191 WeakPolarHBondContact O-CB 3.28Å; R1187-N1191 PolarHBondContact O-N 3.42Å; R1187-N1191 PolarHBondContact O-OD1 3.25Å; F1189-N1191 VanDerWaalsContact C-N 3.33Å; F1189-N1191 PolarHBondContact O-N 3.18Å |
| 1192 | K | 75.4 | Confident | 84.2 | Confident | 85 Ų | 85 | 74.4 Ų | 74.4 | 37% | 0.37 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -22.2 | 174.9 | -83.6 | -174.8 | 165.5 | -158 | 0 | 113.8 | H581 A1188 F1189 L1190 | H581-K1192 PolarHBondContact CD2-NZ 3.06Å; H581-K1192 PolarHBondContact NE2-NZ 3.01Å; A1188-K1192 WeakPolarHBondContact O-CG 3.41Å; F1189-K1192 WeakPolarHBondContact O-CB 3.41Å; F1189-K1192 PolarHBondContact O-N 3.13Å; L1190-K1192 PolarHBondContact O-N 3.45Å |
| 1193 | H | 80.4 | Confident | 83.7 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | trans | -130.6 | 72.7 | -175.1 | -52.1 | -68.9 | 0 | 0 | 0 | 110.7 | F1189 L1190 S1195 Y1196 | F1189-H1193 AromaticContact CD2-CD2 3.65Å; F1189-H1193 AromaticContact CD2-NE2 3.92Å; F1189-H1193 AromaticContact CE1-CD2 3.98Å; F1189-H1193 AromaticContact CE2-CD2 3.44Å; F1189-H1193 VanDerWaalsContact CE2-CD2 3.44Å; F1189-H1193 WeakPolarHBondContact CE2-CD2 3.32Å; F1189-H1193 AromaticContact CE2-NE2 3.65Å; F1189-H1193 AromaticContact CZ-CD2 3.62Å; F1189-H1193 PolarHBondContact O-CD2 2.92Å; F1189-H1193 VanDerWaalsContact O-CD2 3.28Å; F1189-H1193 PolarHBondContact O-N 3.14Å; F1189-H1193 VanDerWaalsContact O-N 3.12Å; L1190-H1193 CarbonylContact O-C 3.45Å; L1190-H1193 PolarHBondContact O-N 2.99Å; L1190-H1193 VanDerWaalsContact O-N 3.13Å; H1193-S1195 PolarHBondContact O-N 3.48Å; H1193-Y1196 HydrophobicContact CB-CD2 3.49Å; H1193-Y1196 VanDerWaalsContact CB-CD2 3.49Å; H1193-Y1196 HydrophobicContact CB-CE2 3.84Å; H1193-Y1196 PolarHBondContact O-N 3.35Å | ||
| 1194 | P | 76.8 | Confident | 83.4 | Confident | 88 Ų | 88 | 75.3 Ų | 75.3 | 57% | 0.571 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -60.7 | -19.3 | -173.5 | -25.5 | 36.1 | 0 | 0 | 0 | 115.1 | Y1196 F1197 | P1194-Y1196 PolarHBondContact O-N 2.93Å; P1194-F1197 PolarHBondContact O-N 2.98Å; P1194-F1197 VanDerWaalsContact O-N 3.15Å |
| 1195 | S | 78.5 | Confident | 83.2 | Confident | 78 Ų | 78 | 71 Ų | 71 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -54.7 | -36 | 171.8 | 46.2 | 0 | 0 | 0 | 0 | 112.8 | H1193 F1197 R1198 | H1193-S1195 PolarHBondContact O-N 3.48Å; S1195-F1197 PolarHBondContact O-N 3.27Å; S1195-R1198 WeakPolarHBondContact O-CB 3.42Å; S1195-R1198 PolarHBondContact O-N 3.47Å |
| 1196 | Y | 79.1 | Confident | 83.2 | Confident | 84 Ų | 84 | 68.2 Ų | 68.2 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -70 | -11.8 | -179.7 | -72.2 | -95.8 | 0 | 0 | 0 | 114 | H1193 P1194 R1198 F1202 L1206 | H1193-Y1196 HydrophobicContact CB-CD2 3.49Å; H1193-Y1196 VanDerWaalsContact CB-CD2 3.49Å; H1193-Y1196 HydrophobicContact CB-CE2 3.84Å; H1193-Y1196 PolarHBondContact O-N 3.35Å; P1194-Y1196 PolarHBondContact O-N 2.93Å; Y1196-R1198 VanDerWaalsContact C-N 3.32Å; Y1196-F1202 HydrophobicContact CD1-CB 3.69Å; Y1196-F1202 HydrophobicContact CD1-CG 4.11Å; Y1196-F1202 HydrophobicContact CE1-CB 4.27Å; Y1196-F1202 HydrophobicContact CE1-CD1 4.47Å; Y1196-F1202 HydrophobicContact CE1-CG 4.24Å; Y1196-L1206 HydrophobicContact CD1-CD1 3.8Å; Y1196-L1206 HydrophobicContact CE1-CD1 4.41Å; Y1196-L1206 HydrophobicContact CG-CD1 4.31Å |
| 1197 | F | 77.3 | Confident | 83.1 | Confident | 69 Ų | 69 | 68.4 Ų | 68.4 | 30% | 0.303 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -76.7 | -17.3 | 168.4 | -78.4 | -85.8 | 0 | 0 | 0 | 113.2 | L1190 P1194 S1195 L1203 | L1190-F1197 HydrophobicContact CB-CE2 3.77Å; L1190-F1197 HydrophobicContact CB-CZ 3.92Å; P1194-F1197 PolarHBondContact O-N 2.98Å; P1194-F1197 VanDerWaalsContact O-N 3.15Å; S1195-F1197 PolarHBondContact O-N 3.27Å; F1197-L1203 HydrophobicContact CD1-CD1 3.67Å; F1197-L1203 HydrophobicContact CD1-CD2 4.19Å; F1197-L1203 HydrophobicContact CE1-CD1 3.94Å; F1197-L1203 HydrophobicContact CG-CD1 4.29Å |
| 1198 | R | 76.3 | Confident | 83.3 | Confident | 234 Ų | 234 | 65.8 Ų | 65.8 | 88% | 0.883 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -30.3 | -179 | -61.6 | -172.8 | 177.2 | -165.8 | -1.4 | 113.1 | S1195 Y1196 | S1195-R1198 WeakPolarHBondContact O-CB 3.42Å; S1195-R1198 PolarHBondContact O-N 3.47Å; Y1196-R1198 VanDerWaalsContact C-N 3.32Å |
| 1199 | D | 80.4 | Confident | 83.6 | Confident | 69 Ų | 69 | 63.6 Ų | 63.6 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | trans | -97.1 | 109.7 | 174.3 | -173.6 | -13.5 | 0 | 0 | 0 | 110.7 | K1201 F1202 L1203 | D1199-K1201 PolarHBondContact O-N 2.98Å; D1199-K1201 VanDerWaalsContact OD1-CB 3.26Å; D1199-K1201 WeakPolarHBondContact OD1-CB 3.39Å; D1199-K1201 PolarHBondContact OD1-N 2.88Å; D1199-F1202 HydrophobicContact CB-CD2 3.97Å; D1199-F1202 PolarHBondContact O-N 2.96Å; D1199-F1202 WeakPolarHBondContact OD2-CD2 3.28Å; D1199-F1202 VanDerWaalsContact OD2-CE2 3.27Å; D1199-F1202 WeakPolarHBondContact OD2-CE2 3.41Å; D1199-L1203 WeakPolarHBondContact O-CB 3.47Å; D1199-L1203 PolarHBondContact O-N 2.69Å | ||
| 1200 | A | 78.5 | Confident | 83.9 | Confident | 28 Ų | 28 | 62 Ų | 62 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57 | -32 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1204 | A1200-F1204 HydrophobicContact CB-CD2 4.23Å; A1200-F1204 HydrophobicContact CB-CE2 3.86Å; A1200-F1204 WeakPolarHBondContact O-CB 3.43Å; A1200-F1204 WeakPolarHBondContact O-CD2 3.47Å; A1200-F1204 WeakPolarHBondContact O-CG 3.47Å; A1200-F1204 PolarHBondContact O-N 3.1Å |
| 1201 | K | 80.6 | Confident | 84.3 | Confident | 171 Ų | 171 | 61.9 Ų | 61.9 | 74% | 0.743 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.1 | -49.5 | -179.8 | -175.3 | -178.8 | 179.1 | -180 | 0 | 110.9 | D1199 G1205 | D1199-K1201 PolarHBondContact O-N 2.98Å; D1199-K1201 VanDerWaalsContact OD1-CB 3.26Å; D1199-K1201 WeakPolarHBondContact OD1-CB 3.39Å; D1199-K1201 PolarHBondContact OD1-N 2.88Å; K1201-G1205 PolarHBondContact O-N 3.43Å |
| 1202 | F | 84.4 | Confident | 85 | Confident | 107 Ų | 107 | 56 Ų | 56 | 47% | 0.469 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -76.4 | -35.7 | 177.7 | -61.4 | -73.3 | 0 | 0 | 0 | 112.3 | Y1196 D1199 F1204 G1205 L1206 | Y1196-F1202 HydrophobicContact CD1-CB 3.69Å; Y1196-F1202 HydrophobicContact CD1-CG 4.11Å; Y1196-F1202 HydrophobicContact CE1-CB 4.27Å; Y1196-F1202 HydrophobicContact CE1-CD1 4.47Å; Y1196-F1202 HydrophobicContact CE1-CG 4.24Å; D1199-F1202 HydrophobicContact CB-CD2 3.97Å; D1199-F1202 PolarHBondContact O-N 2.96Å; D1199-F1202 WeakPolarHBondContact OD2-CD2 3.28Å; D1199-F1202 VanDerWaalsContact OD2-CE2 3.27Å; D1199-F1202 WeakPolarHBondContact OD2-CE2 3.41Å; F1202-F1204 PolarHBondContact O-N 3.24Å; F1202-G1205 PolarHBondContact O-N 3.49Å; F1202-G1205 VanDerWaalsContact O-N 3.16Å; F1202-L1206 HydrophobicContact CB-CD1 4.47Å; F1202-L1206 WeakPolarHBondContact O-CB 3.5Å; F1202-L1206 WeakPolarHBondContact O-CG 3.3Å; F1202-L1206 PolarHBondContact O-N 2.7Å |
| 1203 | L | 86 | Confident | 86 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.8 | -49.1 | 177.3 | -176.9 | 60.4 | 0 | 0 | 0 | 111.4 | L1190 F1197 D1199 G1205 L1206 L1207 V1308 | L1190-L1203 HydrophobicContact CD1-CD1 4.15Å; L1190-L1203 HydrophobicContact CD2-CD1 4.07Å; F1197-L1203 HydrophobicContact CD1-CD1 3.67Å; F1197-L1203 HydrophobicContact CD1-CD2 4.19Å; F1197-L1203 HydrophobicContact CE1-CD1 3.94Å; F1197-L1203 HydrophobicContact CG-CD1 4.29Å; D1199-L1203 WeakPolarHBondContact O-CB 3.47Å; D1199-L1203 PolarHBondContact O-N 2.69Å; L1203-G1205 VanDerWaalsContact C-N 3.27Å; L1203-G1205 PolarHBondContact O-N 3.35Å; L1203-L1206 PolarHBondContact O-N 3.18Å; L1203-L1206 VanDerWaalsContact O-N 3.1Å; L1203-L1207 HydrophobicContact CD1-CB 4.16Å; L1203-L1207 HydrophobicContact CD1-CD1 4.47Å; L1203-L1207 HydrophobicContact CG-CB 4.47Å; L1203-L1207 WeakPolarHBondContact O-CB 3.3Å; L1203-L1207 PolarHBondContact O-N 2.89Å; L1203-V1308 HydrophobicContact CD2-CB 4.2Å; L1203-V1308 HydrophobicContact CD2-CG1 4.19Å; L1203-V1308 HydrophobicContact CD2-CG2 3.69Å |
| 1204 | F | 88.6 | Confident | 86.8 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 10% | 0.096 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.6 | -22.6 | 178.9 | -64.8 | -42.3 | 0 | 0 | 0 | 113.6 | L1154 A1200 F1202 Y1210 F1257 V1308 D1309 K1311 | L1154-F1204 VanDerWaalsContact CD2-O 3.24Å; L1154-F1204 WeakPolarHBondContact CD2-O 2.89Å; A1200-F1204 HydrophobicContact CB-CD2 4.23Å; A1200-F1204 HydrophobicContact CB-CE2 3.86Å; A1200-F1204 WeakPolarHBondContact O-CB 3.43Å; A1200-F1204 WeakPolarHBondContact O-CD2 3.47Å; A1200-F1204 WeakPolarHBondContact O-CG 3.47Å; A1200-F1204 PolarHBondContact O-N 3.1Å; F1202-F1204 PolarHBondContact O-N 3.24Å; F1204-Y1210 HydrophobicContact CB-CD1 3.6Å; F1204-Y1210 HydrophobicContact CB-CE1 3.71Å; F1204-Y1210 HydrophobicContact CB-CG 4.22Å; F1204-Y1210 AromaticContact CD1-CD1 3.86Å; F1204-Y1210 HydrophobicContact CD1-CD1 3.86Å; F1204-Y1210 AromaticContact CD1-CD2 3.6Å; F1204-Y1210 HydrophobicContact CD1-CD2 3.6Å; F1204-Y1210 AromaticContact CD1-CE1 3.89Å; F1204-Y1210 HydrophobicContact CD1-CE1 3.89Å; F1204-Y1210 AromaticContact CD1-CE2 3.66Å; F1204-Y1210 HydrophobicContact CD1-CE2 3.66Å; F1204-Y1210 AromaticContact CD1-CG 3.71Å; F1204-Y1210 HydrophobicContact CD1-CG 3.71Å; F1204-Y1210 AromaticContact CD1-CZ 3.8Å; F1204-Y1210 HydrophobicContact CE1-CD2 4.04Å; F1204-Y1210 AromaticContact CE1-CE2 3.85Å; F1204-Y1210 HydrophobicContact CE1-CE2 3.85Å; F1204-Y1210 AromaticContact CG-CD1 3.98Å; F1204-Y1210 HydrophobicContact CG-CD1 3.98Å; F1204-Y1210 HydrophobicContact CG-CD2 4.48Å; F1204-Y1210 AromaticContact CG-CE1 3.82Å; F1204-Y1210 HydrophobicContact CG-CE1 3.82Å; F1204-Y1210 HydrophobicContact CG-CE2 4.37Å; F1204-Y1210 HydrophobicContact CG-CG 4.31Å; F1204-F1257 HydrophobicContact CE1-CE2 4.38Å; F1204-F1257 HydrophobicContact CE1-CZ 4.09Å; F1204-V1308 HydrophobicContact CE1-CG1 4.45Å; F1204-V1308 HydrophobicContact CZ-CG1 3.96Å; F1204-D1309 WeakPolarHBondContact CZ-O 3.34Å; F1204-K1311 HydrophobicContact CE2-CB 3.88Å; F1204-K1311 HydrophobicContact CE2-CG 4.29Å |
| 1205 | G | 89.5 | Confident | 87.8 | Confident | 37 Ų | 37 | 46.3 Ų | 46.3 | 38% | 0.381 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -78 | -19.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K1201 F1202 L1203 | K1201-G1205 PolarHBondContact O-N 3.43Å; F1202-G1205 PolarHBondContact O-N 3.49Å; F1202-G1205 VanDerWaalsContact O-N 3.16Å; L1203-G1205 VanDerWaalsContact C-N 3.27Å; L1203-G1205 PolarHBondContact O-N 3.35Å |
| 1206 | L | 90.9 | Very high | 88.7 | Confident | 23 Ų | 23 | 42.6 Ų | 42.6 | 12% | 0.12 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -112.2 | -30.5 | -172.8 | -70.5 | 171.3 | 0 | 0 | 0 | 114.2 | L1150 R1186 F1189 L1190 Y1196 F1202 L1203 P1208 | L1150-L1206 HydrophobicContact CD1-CD2 4.2Å; R1186-L1206 WeakPolarHBondContact CB-O 3.37Å; R1186-L1206 VanDerWaalsContact CD-O 3.25Å; R1186-L1206 WeakPolarHBondContact CD-O 3.25Å; R1186-L1206 VanDerWaalsContact CG-O 3.32Å; R1186-L1206 WeakPolarHBondContact CG-O 3.22Å; F1189-L1206 HydrophobicContact CD1-CD1 4.07Å; F1189-L1206 HydrophobicContact CD1-CD2 4.32Å; F1189-L1206 HydrophobicContact CE1-CD1 3.78Å; F1189-L1206 HydrophobicContact CE1-CD2 4.38Å; L1190-L1206 HydrophobicContact CD1-CB 4.34Å; L1190-L1206 HydrophobicContact CD2-CB 3.94Å; L1190-L1206 HydrophobicContact CD2-CD1 4.07Å; L1190-L1206 HydrophobicContact CG-CB 4.27Å; Y1196-L1206 HydrophobicContact CD1-CD1 3.8Å; Y1196-L1206 HydrophobicContact CE1-CD1 4.41Å; Y1196-L1206 HydrophobicContact CG-CD1 4.31Å; F1202-L1206 HydrophobicContact CB-CD1 4.47Å; F1202-L1206 WeakPolarHBondContact O-CB 3.5Å; F1202-L1206 WeakPolarHBondContact O-CG 3.3Å; F1202-L1206 PolarHBondContact O-N 2.7Å; L1203-L1206 PolarHBondContact O-N 3.18Å; L1203-L1206 VanDerWaalsContact O-N 3.1Å; L1206-P1208 WeakPolarHBondContact O-CD 3.26Å |
| 1207 | L | 90.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | trans | -71.9 | 113.3 | -175.6 | -174.2 | 71 | 0 | 0 | 0 | 109.9 | L1154 L1190 L1203 D1209 Y1210 F1257 Y1306 | L1154-L1207 VanDerWaalsContact CD2-O 3.28Å; L1154-L1207 WeakPolarHBondContact CD2-O 3.19Å; L1190-L1207 HydrophobicContact CD1-CB 4.28Å; L1190-L1207 HydrophobicContact CD1-CD1 3.96Å; L1203-L1207 HydrophobicContact CD1-CB 4.16Å; L1203-L1207 HydrophobicContact CD1-CD1 4.47Å; L1203-L1207 HydrophobicContact CG-CB 4.47Å; L1203-L1207 WeakPolarHBondContact O-CB 3.3Å; L1203-L1207 PolarHBondContact O-N 2.89Å; L1207-D1209 HydrophobicContact CD2-CB 4.33Å; L1207-D1209 HydrophobicContact CG-CB 4.03Å; L1207-D1209 PolarHBondContact O-N 3.46Å; L1207-Y1210 VanDerWaalsContact O-CB 3.28Å; L1207-Y1210 WeakPolarHBondContact O-CB 3.38Å; L1207-Y1210 PolarHBondContact O-N 3.09Å; L1207-F1257 HydrophobicContact CD2-CD1 4.39Å; L1207-F1257 HydrophobicContact CD2-CE1 3.49Å; L1207-F1257 VanDerWaalsContact CD2-CE1 3.49Å; L1207-F1257 HydrophobicContact CD2-CZ 3.6Å; L1207-Y1306 HydrophobicContact CD2-CE1 4.37Å | ||
| 1208 | P | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -67.8 | -25.4 | -172.6 | 27.2 | -31.5 | 0 | 0 | 0 | 112.5 | M1157 I1183 R1186 R1187 L1206 Y1210 V1211 | M1157-P1208 HydrophobicContact CE-CB 4.19Å; I1183-P1208 HydrophobicContact CB-CB 4.29Å; I1183-P1208 HydrophobicContact CB-CG 4.38Å; I1183-P1208 HydrophobicContact CG1-CB 4.05Å; I1183-P1208 HydrophobicContact CG2-CB 4.23Å; I1183-P1208 HydrophobicContact CG2-CG 3.87Å; R1186-P1208 HydrophobicContact CB-CB 4.39Å; R1186-P1208 HydrophobicContact CB-CG 4.11Å; R1187-P1208 HydrophobicContact CG-CG 3.93Å; L1206-P1208 WeakPolarHBondContact O-CD 3.26Å; P1208-Y1210 PolarHBondContact O-N 2.93Å; P1208-V1211 WeakPolarHBondContact O-CB 3.49Å; P1208-V1211 VanDerWaalsContact O-CG1 3.26Å; P1208-V1211 WeakPolarHBondContact O-CG1 3.24Å; P1208-V1211 PolarHBondContact O-N 2.95Å; P1208-V1211 VanDerWaalsContact O-N 3.11Å |
| 1209 | D | 91.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.027 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -59.5 | -25.2 | 172.1 | -48 | -103 | 0 | 0 | 0 | 111.9 | R1187 L1207 V1211 I1248 N1254 F1257 L1258 | R1187-D1209 IonicContact CZ-OD1 3.95Å; R1187-D1209 IonicContact CZ-OD2 3.23Å; R1187-D1209 IonicContact NE-OD2 2.78Å; R1187-D1209 IonicContact NH2-OD1 2.91Å; R1187-D1209 PolarHBondContact NH2-OD1 2.75Å; R1187-D1209 IonicContact NH2-OD2 2.92Å; R1187-D1209 PolarHBondContact NH2-OD2 2.7Å; L1207-D1209 HydrophobicContact CD2-CB 4.33Å; L1207-D1209 HydrophobicContact CG-CB 4.03Å; L1207-D1209 PolarHBondContact O-N 3.46Å; D1209-V1211 VanDerWaalsContact C-N 3.26Å; D1209-V1211 PolarHBondContact O-N 2.71Å; D1209-I1248 HydrophobicContact CB-CG2 4.23Å; D1209-N1254 PolarHBondContact OD1-ND2 3.26Å; D1209-F1257 HydrophobicContact CB-CD1 4.31Å; D1209-F1257 HydrophobicContact CB-CE1 4.26Å; D1209-L1258 HydrophobicContact CB-CD2 4.37Å |
| 1210 | Y | 94.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -82.9 | 9.3 | 176.2 | -148.3 | -109.9 | 0 | 0 | 0 | 114.4 | F1204 L1207 P1208 L1212 P1213 Y1214 F1257 I1261 V1310 K1311 L1312 P1313 | F1204-Y1210 HydrophobicContact CB-CD1 3.6Å; F1204-Y1210 HydrophobicContact CB-CE1 3.71Å; F1204-Y1210 HydrophobicContact CB-CG 4.22Å; F1204-Y1210 AromaticContact CD1-CD1 3.86Å; F1204-Y1210 HydrophobicContact CD1-CD1 3.86Å; F1204-Y1210 AromaticContact CD1-CD2 3.6Å; F1204-Y1210 HydrophobicContact CD1-CD2 3.6Å; F1204-Y1210 AromaticContact CD1-CE1 3.89Å; F1204-Y1210 HydrophobicContact CD1-CE1 3.89Å; F1204-Y1210 AromaticContact CD1-CE2 3.66Å; F1204-Y1210 HydrophobicContact CD1-CE2 3.66Å; F1204-Y1210 AromaticContact CD1-CG 3.71Å; F1204-Y1210 HydrophobicContact CD1-CG 3.71Å; F1204-Y1210 AromaticContact CD1-CZ 3.8Å; F1204-Y1210 HydrophobicContact CE1-CD2 4.04Å; F1204-Y1210 AromaticContact CE1-CE2 3.85Å; F1204-Y1210 HydrophobicContact CE1-CE2 3.85Å; F1204-Y1210 AromaticContact CG-CD1 3.98Å; F1204-Y1210 HydrophobicContact CG-CD1 3.98Å; F1204-Y1210 HydrophobicContact CG-CD2 4.48Å; F1204-Y1210 AromaticContact CG-CE1 3.82Å; F1204-Y1210 HydrophobicContact CG-CE1 3.82Å; F1204-Y1210 HydrophobicContact CG-CE2 4.37Å; F1204-Y1210 HydrophobicContact CG-CG 4.31Å; L1207-Y1210 VanDerWaalsContact O-CB 3.28Å; L1207-Y1210 WeakPolarHBondContact O-CB 3.38Å; L1207-Y1210 PolarHBondContact O-N 3.09Å; P1208-Y1210 PolarHBondContact O-N 2.93Å; Y1210-L1212 VanDerWaalsContact C-N 3.27Å; Y1210-P1213 HydrophobicContact CE1-CG 4.49Å; Y1210-P1213 HydrophobicContact CE2-CG 4.26Å; Y1210-P1213 WeakPolarHBondContact O-CD 3.32Å; Y1210-Y1214 HydrophobicContact CD1-CE2 4.33Å; Y1210-Y1214 WeakPolarHBondContact O-CD2 3.26Å; Y1210-F1257 HydrophobicContact CD2-CE1 4.01Å; Y1210-F1257 AromaticContact CD2-CZ 3.75Å; Y1210-F1257 HydrophobicContact CD2-CZ 3.75Å; Y1210-F1257 HydrophobicContact CE2-CZ 4.27Å; Y1210-I1261 HydrophobicContact CD2-CD1 3.77Å; Y1210-I1261 HydrophobicContact CE2-CD1 3.95Å; Y1210-I1261 HydrophobicContact CE2-CG1 4.2Å; Y1210-V1310 HydrophobicContact CE2-CG1 4.3Å; Y1210-K1311 PolarHBondContact OH-O 2.89Å; Y1210-L1312 WeakPolarHBondContact OH-CA 3.34Å; Y1210-L1312 PolarHBondContact OH-N 2.83Å; Y1210-P1313 HydrophobicContact CE1-CG 4.42Å |
| 1211 | V | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -75 | -19.3 | 169.1 | 81.5 | 0 | 0 | 0 | 0 | 112.2 | L1154 M1157 A1158 F1179 P1208 D1209 Y1214 V1215 I1244 I1248 | L1154-V1211 HydrophobicContact CD1-CB 4.42Å; L1154-V1211 HydrophobicContact CG-CB 4.36Å; M1157-V1211 HydrophobicContact CB-CG2 3.84Å; M1157-V1211 HydrophobicContact CG-CG2 4.15Å; A1158-V1211 HydrophobicContact CB-CG2 4.1Å; F1179-V1211 HydrophobicContact CZ-CG1 4.49Å; P1208-V1211 WeakPolarHBondContact O-CB 3.49Å; P1208-V1211 VanDerWaalsContact O-CG1 3.26Å; P1208-V1211 WeakPolarHBondContact O-CG1 3.24Å; P1208-V1211 PolarHBondContact O-N 2.95Å; P1208-V1211 VanDerWaalsContact O-N 3.11Å; D1209-V1211 VanDerWaalsContact C-N 3.26Å; D1209-V1211 PolarHBondContact O-N 2.71Å; V1211-Y1214 WeakPolarHBondContact O-CB 3.36Å; V1211-Y1214 PolarHBondContact O-N 2.76Å; V1211-V1215 HydrophobicContact CG2-CG2 4.27Å; V1211-V1215 PolarHBondContact O-N 2.92Å; V1211-I1244 HydrophobicContact CG1-CG2 3.95Å; V1211-I1248 HydrophobicContact CG1-CD1 3.57Å |
| 1212 | L | 96.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.01 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | -173.3 | -175.9 | 60.7 | 0 | 0 | 0 | 114.7 | Y1210 Y1214 V1215 I1216 L1241 M1245 L1258 I1261 I1262 | Y1210-L1212 VanDerWaalsContact C-N 3.27Å; L1212-Y1214 VanDerWaalsContact C-N 3.3Å; L1212-Y1214 PolarHBondContact O-N 2.98Å; L1212-V1215 PolarHBondContact O-N 3.37Å; L1212-I1216 HydrophobicContact CD1-CD1 3.95Å; L1212-I1216 HydrophobicContact CD1-CG1 4.01Å; L1212-I1216 HydrophobicContact CD2-CD1 4.44Å; L1212-I1216 HydrophobicContact CG-CD1 3.81Å; L1212-I1216 HydrophobicContact CG-CG1 4.32Å; L1212-I1216 WeakPolarHBondContact O-CG1 3.39Å; L1212-I1216 PolarHBondContact O-N 2.73Å; L1212-L1241 HydrophobicContact CD1-CD2 4.46Å; L1212-M1245 HydrophobicContact CD1-CG 4.14Å; L1212-M1245 HydrophobicContact CD1-SD 4.21Å; L1212-M1245 HydrophobicContact CD2-CE 4.44Å; L1212-L1258 HydrophobicContact CD2-CB 4.37Å; L1212-L1258 HydrophobicContact CD2-CD2 4Å; L1212-I1261 HydrophobicContact CB-CG2 4.48Å; L1212-I1261 HydrophobicContact CD2-CG2 4.3Å; L1212-I1261 HydrophobicContact CG-CG2 4.4Å; L1212-I1262 HydrophobicContact CD2-CD1 4.1Å; L1212-I1262 HydrophobicContact CD2-CG1 3.9Å |
| 1213 | P | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56.9 | -44.6 | 174.8 | -19.8 | 29.7 | 0 | 0 | 0 | 112.1 | Y1210 V1215 I1216 Y1217 I1261 I1265 F1317 | Y1210-P1213 HydrophobicContact CE1-CG 4.49Å; Y1210-P1213 HydrophobicContact CE2-CG 4.26Å; Y1210-P1213 WeakPolarHBondContact O-CD 3.32Å; P1213-V1215 PolarHBondContact O-N 2.89Å; P1213-I1216 PolarHBondContact O-N 3.07Å; P1213-Y1217 VanDerWaalsContact O-CB 3.3Å; P1213-Y1217 WeakPolarHBondContact O-CB 3.27Å; P1213-Y1217 PolarHBondContact O-N 3.12Å; P1213-I1261 HydrophobicContact CG-CG2 3.76Å; P1213-I1265 HydrophobicContact CB-CD1 4.03Å; P1213-I1265 HydrophobicContact CG-CD1 4.49Å; P1213-F1317 HydrophobicContact CB-CE2 3.8Å; P1213-F1317 HydrophobicContact CB-CZ 4.19Å |
| 1214 | Y | 97.1 | Very high | 93.3 | Very high | 35 Ų | 35 | 22.5 Ų | 22.5 | 14% | 0.137 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.1 | -37.2 | 179.2 | -58.9 | -84.9 | 0 | 0 | 0 | 112.2 | E1155 Y1210 V1211 L1212 L1218 P1313 L1316 | E1155-Y1214 HydrophobicContact CB-CD1 3.38Å; E1155-Y1214 HydrophobicContact CB-CE1 3.57Å; E1155-Y1214 HydrophobicContact CB-CG 4.01Å; Y1210-Y1214 HydrophobicContact CD1-CE2 4.33Å; Y1210-Y1214 WeakPolarHBondContact O-CD2 3.26Å; V1211-Y1214 WeakPolarHBondContact O-CB 3.36Å; V1211-Y1214 PolarHBondContact O-N 2.76Å; L1212-Y1214 VanDerWaalsContact C-N 3.3Å; L1212-Y1214 PolarHBondContact O-N 2.98Å; Y1214-L1218 WeakPolarHBondContact O-CB 3.32Å; Y1214-L1218 PolarHBondContact O-N 2.91Å; Y1214-P1313 HydrophobicContact CE1-CG 4.1Å; Y1214-P1313 HydrophobicContact CE2-CG 4.2Å; Y1214-L1316 HydrophobicContact CD1-CD1 3.57Å; Y1214-L1316 HydrophobicContact CE1-CD1 3.85Å; Y1214-L1316 HydrophobicContact CG-CD1 4.47Å |
| 1215 | V | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -71.4 | -40.7 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 112 | A1158 A1161 V1211 L1212 P1213 Y1217 L1218 L1219 L1241 I1244 | A1158-V1215 HydrophobicContact CB-CB 4.48Å; A1158-V1215 HydrophobicContact CB-CG2 3.5Å; A1158-V1215 VanDerWaalsContact CB-CG2 3.5Å; A1161-V1215 HydrophobicContact CB-CG1 3.87Å; A1161-V1215 HydrophobicContact CB-CG2 4.4Å; V1211-V1215 HydrophobicContact CG2-CG2 4.27Å; V1211-V1215 PolarHBondContact O-N 2.92Å; L1212-V1215 PolarHBondContact O-N 3.37Å; P1213-V1215 PolarHBondContact O-N 2.89Å; V1215-Y1217 VanDerWaalsContact C-N 3.33Å; V1215-L1218 PolarHBondContact O-N 3.05Å; V1215-L1219 HydrophobicContact CG1-CD1 3.79Å; V1215-L1219 HydrophobicContact CG1-CG 4.38Å; V1215-L1219 WeakPolarHBondContact O-CB 3.41Å; V1215-L1219 VanDerWaalsContact O-CG 3.29Å; V1215-L1219 WeakPolarHBondContact O-CG 3.25Å; V1215-L1219 PolarHBondContact O-N 3.3Å; V1215-L1241 HydrophobicContact CG1-CD2 3.99Å; V1215-I1244 HydrophobicContact CG1-CG1 4.33Å; V1215-I1244 HydrophobicContact CG2-CG1 4.2Å; V1215-I1244 HydrophobicContact CG2-CG2 4.16Å |
| 1216 | I | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 175.1 | -72.2 | 171.8 | 0 | 0 | 0 | 109.8 | L1212 P1213 L1219 S1220 L1241 I1262 I1265 L1283 V1286 | L1212-I1216 HydrophobicContact CD1-CD1 3.95Å; L1212-I1216 HydrophobicContact CD1-CG1 4.01Å; L1212-I1216 HydrophobicContact CD2-CD1 4.44Å; L1212-I1216 HydrophobicContact CG-CD1 3.81Å; L1212-I1216 HydrophobicContact CG-CG1 4.32Å; L1212-I1216 WeakPolarHBondContact O-CG1 3.39Å; L1212-I1216 PolarHBondContact O-N 2.73Å; P1213-I1216 PolarHBondContact O-N 3.07Å; I1216-L1219 PolarHBondContact O-N 2.7Å; I1216-S1220 PolarHBondContact O-N 3.38Å; I1216-L1241 HydrophobicContact CG1-CD2 4.31Å; I1216-I1262 HydrophobicContact CD1-CG1 4.15Å; I1216-I1265 HydrophobicContact CD1-CD1 3.9Å; I1216-I1265 HydrophobicContact CG2-CD1 4.45Å; I1216-I1265 HydrophobicContact CG2-CG2 4.29Å; I1216-L1283 HydrophobicContact CG2-CD1 3.74Å; I1216-V1286 HydrophobicContact CB-CG1 4.18Å; I1216-V1286 HydrophobicContact CG1-CG1 4.19Å; I1216-V1286 HydrophobicContact CG2-CB 4.29Å; I1216-V1286 HydrophobicContact CG2-CG1 3.98Å |
| 1217 | Y | 97.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 177.7 | -164.1 | -93.8 | 0 | 0 | 0 | 113.6 | I1118 L1122 P1213 V1215 L1219 S1220 H1221 D1270 L1316 F1317 | I1118-Y1217 HydrophobicContact CG2-CE1 3.74Å; L1122-Y1217 HydrophobicContact CD1-CE1 4.09Å; L1122-Y1217 HydrophobicContact CD2-CD1 4.17Å; L1122-Y1217 HydrophobicContact CD2-CE1 4.3Å; P1213-Y1217 VanDerWaalsContact O-CB 3.3Å; P1213-Y1217 WeakPolarHBondContact O-CB 3.27Å; P1213-Y1217 PolarHBondContact O-N 3.12Å; V1215-Y1217 VanDerWaalsContact C-N 3.33Å; Y1217-L1219 VanDerWaalsContact C-N 3.3Å; Y1217-L1219 PolarHBondContact O-N 2.97Å; Y1217-S1220 PolarHBondContact O-N 2.91Å; Y1217-S1220 PolarHBondContact O-OG 3.09Å; Y1217-H1221 AromaticContact CE1-CE1 3.73Å; Y1217-H1221 AromaticContact CE1-ND1 3.82Å; Y1217-H1221 AromaticContact CE2-CE1 3.74Å; Y1217-H1221 AromaticContact CZ-CE1 3.38Å; Y1217-H1221 AromaticContact CZ-ND1 3.94Å; Y1217-H1221 PolarHBondContact O-ND1 3.47Å; Y1217-H1221 PolarHBondContact OH-CE1 3.49Å; Y1217-D1270 WeakPolarHBondContact CE2-OD2 3.35Å; Y1217-D1270 PolarHBondContact OH-OD2 3.19Å; Y1217-L1316 HydrophobicContact CD1-CB 4.47Å; Y1217-L1316 HydrophobicContact CD1-CD1 4.23Å; Y1217-L1316 HydrophobicContact CD1-CD2 3.88Å; Y1217-L1316 HydrophobicContact CD1-CG 4.41Å; Y1217-L1316 HydrophobicContact CD2-CB 3.78Å; Y1217-L1316 HydrophobicContact CE1-CD2 3.72Å; Y1217-L1316 HydrophobicContact CE2-CB 3.82Å; Y1217-L1316 HydrophobicContact CE2-CD2 4.5Å; Y1217-L1316 WeakPolarHBondContact CE2-O 3.15Å; Y1217-L1316 HydrophobicContact CG-CB 4.13Å; Y1217-L1316 HydrophobicContact CG-CD1 4.1Å; Y1217-L1316 HydrophobicContact CG-CD2 4.37Å; Y1217-L1316 HydrophobicContact CG-CG 4.42Å; Y1217-F1317 AromaticContact CD2-CE1 3.85Å; Y1217-F1317 HydrophobicContact CD2-CE1 3.85Å; Y1217-F1317 AromaticContact CD2-CZ 3.91Å; Y1217-F1317 HydrophobicContact CD2-CZ 3.91Å; Y1217-F1317 HydrophobicContact CG-CZ 4.44Å |
| 1218 | L | 95.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.4 | -31.5 | -179.7 | -177.8 | 62.4 | 0 | 0 | 0 | 112.6 | Y1121 L1122 A1158 H1162 Y1214 V1215 | Y1121-L1218 HydrophobicContact CE1-CD1 4.22Å; L1122-L1218 HydrophobicContact CD2-CD1 3.62Å; A1158-L1218 HydrophobicContact CB-CD2 3.92Å; H1162-L1218 WeakPolarHBondContact NE2-CD1 3.42Å; H1162-L1218 WeakPolarHBondContact NE2-CD2 3.34Å; H1162-L1218 WeakPolarHBondContact NE2-CG 3.12Å; Y1214-L1218 WeakPolarHBondContact O-CB 3.32Å; Y1214-L1218 PolarHBondContact O-N 2.91Å; V1215-L1218 PolarHBondContact O-N 3.05Å |
| 1219 | L | 95.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -88.3 | -21.5 | 179.2 | -66.4 | 174.5 | 0 | 0 | 0 | 113.4 | V1215 I1216 Y1217 H1221 I1237 A1240 L1241 V1286 | V1215-L1219 HydrophobicContact CG1-CD1 3.79Å; V1215-L1219 HydrophobicContact CG1-CG 4.38Å; V1215-L1219 WeakPolarHBondContact O-CB 3.41Å; V1215-L1219 VanDerWaalsContact O-CG 3.29Å; V1215-L1219 WeakPolarHBondContact O-CG 3.25Å; V1215-L1219 PolarHBondContact O-N 3.3Å; I1216-L1219 PolarHBondContact O-N 2.7Å; Y1217-L1219 VanDerWaalsContact C-N 3.3Å; Y1217-L1219 PolarHBondContact O-N 2.97Å; L1219-H1221 VanDerWaalsContact C-N 3.26Å; L1219-I1237 HydrophobicContact CB-CG2 4.43Å; L1219-I1237 HydrophobicContact CD1-CG2 4.42Å; L1219-A1240 HydrophobicContact CD1-CB 3.91Å; L1219-A1240 HydrophobicContact CD2-CB 3.91Å; L1219-L1241 HydrophobicContact CD1-CD2 3.97Å; L1219-L1241 HydrophobicContact CD1-CG 3.77Å; L1219-V1286 HydrophobicContact CB-CG1 4.18Å; L1219-V1286 HydrophobicContact CB-CG2 4.46Å |
| 1220 | S | 95.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72.5 | -21.3 | 172 | 67.2 | 0 | 0 | 0 | 0 | 113.2 | I1216 Y1217 | I1216-S1220 PolarHBondContact O-N 3.38Å; Y1217-S1220 PolarHBondContact O-N 2.91Å; Y1217-S1220 PolarHBondContact O-OG 3.09Å |
| 1221 | H | 94.6 | Very high | 92.6 | Very high | 37 Ų | 37 | 41.2 Ų | 41.2 | 17% | 0.171 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 23.5 | -179.6 | -70 | 86.3 | 0 | 0 | 0 | 114.3 | L1122 Y1217 L1219 S1223 D1270 | L1122-H1221 HydrophobicContact CD1-CB 3.8Å; L1122-H1221 HydrophobicContact CD2-CB 4.18Å; Y1217-H1221 AromaticContact CE1-CE1 3.73Å; Y1217-H1221 AromaticContact CE1-ND1 3.82Å; Y1217-H1221 AromaticContact CE2-CE1 3.74Å; Y1217-H1221 AromaticContact CZ-CE1 3.38Å; Y1217-H1221 AromaticContact CZ-ND1 3.94Å; Y1217-H1221 PolarHBondContact O-ND1 3.47Å; Y1217-H1221 PolarHBondContact OH-CE1 3.49Å; L1219-H1221 VanDerWaalsContact C-N 3.26Å; H1221-S1223 PolarHBondContact O-N 3.42Å; H1221-D1270 IonicContact CE1-OD2 3.28Å; H1221-D1270 PolarHBondContact CE1-OD2 3.44Å; H1221-D1270 IonicContact NE2-OD2 3.79Å |
| 1222 | D | 89.4 | Confident | 92.4 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | trans | -66 | 115 | 170 | -168.7 | -36.9 | 0 | 0 | 0 | 109.9 | Y1126 K1224 W1225 | Y1126-D1222 PolarHBondContact OH-OD2 3.49Å; D1222-K1224 PolarHBondContact O-N 3.39Å; D1222-K1224 VanDerWaalsContact O-N 3.15Å; D1222-K1224 WeakPolarHBondContact OD1-CB 3.5Å; D1222-K1224 PolarHBondContact OD1-N 2.86Å; D1222-W1225 HydrophobicContact CB-CB 4.36Å; D1222-W1225 WeakPolarHBondContact O-CB 3.21Å; D1222-W1225 PolarHBondContact O-N 3.33Å | ||
| 1223 | S | 85.8 | Confident | 92.2 | Very high | 108 Ų | 108 | 48 Ų | 48 | 76% | 0.755 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -12.9 | -176.3 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | H1221 | H1221-S1223 PolarHBondContact O-N 3.42Š|
| 1224 | K | 86.6 | Confident | 92.1 | Very high | 164 Ų | 164 | 48 Ų | 48 | 71% | 0.713 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -16.7 | 172.9 | -60.6 | 179.5 | -179.2 | 179.2 | 0 | 112.2 | D1222 T1226 I1233 | D1222-K1224 PolarHBondContact O-N 3.39Å; D1222-K1224 VanDerWaalsContact O-N 3.15Å; D1222-K1224 WeakPolarHBondContact OD1-CB 3.5Å; D1222-K1224 PolarHBondContact OD1-N 2.86Å; K1224-T1226 PolarHBondContact O-N 3.03Å; K1224-T1226 VanDerWaalsContact O-N 3.13Å; K1224-I1233 HydrophobicContact CB-CD1 4.46Å; K1224-I1233 WeakPolarHBondContact O-CD1 3.33Å |
| 1225 | W | 91.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | trans | -79.2 | 95.7 | 178.9 | -165.3 | 12.7 | 0 | 0 | 0 | 110.3 | D1222 K1227 L1228 I1233 L1234 I1237 K1282 T1285 V1286 | D1222-W1225 HydrophobicContact CB-CB 4.36Å; D1222-W1225 WeakPolarHBondContact O-CB 3.21Å; D1222-W1225 PolarHBondContact O-N 3.33Å; W1225-K1227 PolarHBondContact NE1-O 2.98Å; W1225-L1228 HydrophobicContact CZ2-CD2 4.09Å; W1225-I1233 HydrophobicContact CB-CD1 4.27Å; W1225-I1233 HydrophobicContact CB-CG2 3.91Å; W1225-I1233 HydrophobicContact CD2-CG2 4.12Å; W1225-I1233 HydrophobicContact CG-CG2 3.7Å; W1225-L1234 HydrophobicContact CH2-CD2 4.32Å; W1225-L1234 HydrophobicContact CZ2-CD2 3.65Å; W1225-I1237 HydrophobicContact CD2-CD1 3.98Å; W1225-I1237 HydrophobicContact CE3-CD1 3.52Å; W1225-I1237 HydrophobicContact CH2-CD1 3.87Å; W1225-I1237 HydrophobicContact CZ2-CD1 4.32Å; W1225-I1237 HydrophobicContact CZ3-CD1 3.45Å; W1225-I1237 VanDerWaalsContact CZ3-CD1 3.45Å; W1225-K1282 HydrophobicContact CD2-CD 4.22Å; W1225-K1282 HydrophobicContact CD2-CG 3.89Å; W1225-K1282 HydrophobicContact CE3-CB 3.99Å; W1225-K1282 HydrophobicContact CE3-CD 4.03Å; W1225-K1282 HydrophobicContact CE3-CG 3.72Å; W1225-K1282 HydrophobicContact CH2-CB 3.83Å; W1225-K1282 HydrophobicContact CH2-CG 3.93Å; W1225-K1282 WeakPolarHBondContact CH2-O 3.3Å; W1225-K1282 HydrophobicContact CZ2-CB 4.43Å; W1225-K1282 HydrophobicContact CZ2-CG 4.06Å; W1225-K1282 HydrophobicContact CZ3-CB 3.58Å; W1225-K1282 HydrophobicContact CZ3-CD 4.46Å; W1225-K1282 HydrophobicContact CZ3-CG 3.75Å; W1225-K1282 WeakPolarHBondContact O-CE 3.42Å; W1225-K1282 PolarHBondContact O-NZ 3.12Å; W1225-T1285 HydrophobicContact CH2-CG2 4.1Å; W1225-T1285 HydrophobicContact CZ2-CG2 4.06Å; W1225-V1286 HydrophobicContact CH2-CG2 3.89Å; W1225-V1286 HydrophobicContact CZ3-CG2 3.61Å | ||
| 1226 | T | 88.4 | Confident | 91.7 | Very high | 100 Ų | 100 | 53.6 Ų | 53.6 | 61% | 0.613 | 28% | 0.276 | S | S | * | . | trans | -97.7 | -34.9 | -179.8 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | K1224 | K1224-T1226 PolarHBondContact O-N 3.03Å; K1224-T1226 VanDerWaalsContact O-N 3.13Å | ||
| 1227 | K | 87.5 | Confident | 91.6 | Very high | 134 Ų | 134 | 53.7 Ų | 53.7 | 58% | 0.583 | 28% | 0.277 | S | S | * | . | trans | -121.8 | 141.2 | 178.8 | -51.5 | -176.2 | 175.5 | -172.7 | 0 | 112.4 | W1225 D1229 D1230 | W1225-K1227 PolarHBondContact NE1-O 2.98Å; K1227-D1229 WeakPolarHBondContact CB-OD1 3.41Å; K1227-D1229 PolarHBondContact O-N 2.65Å; K1227-D1230 PolarHBondContact O-N 3.43Å | ||
| 1228 | L | 87.4 | Confident | 91.6 | Very high | 40 Ų | 40 | 55.3 Ų | 55.3 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -26.1 | -179.7 | -65.1 | 168.9 | 0 | 0 | 0 | 113.2 | W1225 L1278 E1281 K1282 | W1225-L1228 HydrophobicContact CZ2-CD2 4.09Å; L1228-L1278 HydrophobicContact CD1-CD1 4.24Å; L1228-L1278 HydrophobicContact CD2-CD1 4.23Å; L1228-L1278 HydrophobicContact CG-CD1 3.92Å; L1228-E1281 HydrophobicContact CD1-CB 3.71Å; L1228-E1281 HydrophobicContact CD1-CG 4.44Å; L1228-E1281 HydrophobicContact CD2-CB 4.11Å; L1228-K1282 HydrophobicContact CD2-CB 4.43Å; L1228-K1282 HydrophobicContact CD2-CG 3.74Å |
| 1229 | D | 86.8 | Confident | 91.5 | Very high | 83 Ų | 83 | 57.9 Ų | 57.9 | 44% | 0.444 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 3.1 | -177.6 | 67.8 | -30.4 | 0 | 0 | 0 | 114.9 | K1227 V1231 L1363 | K1227-D1229 WeakPolarHBondContact CB-OD1 3.41Å; K1227-D1229 PolarHBondContact O-N 2.65Å; D1229-V1231 WeakPolarHBondContact O-CG2 3.4Å; D1229-V1231 PolarHBondContact O-N 3.07Å; D1229-L1363 HydrophobicContact CB-CD2 4.03Å |
| 1230 | D | 91.2 | Very high | 91.6 | Very high | 55 Ų | 55 | 57.8 Ų | 57.8 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | trans | -68.5 | 90.1 | 177.6 | -171.7 | -35.6 | 0 | 0 | 0 | 112 | K1227 E1232 I1233 L1234 | K1227-D1230 PolarHBondContact O-N 3.43Å; D1230-E1232 PolarHBondContact O-N 3.01Å; D1230-E1232 VanDerWaalsContact O-N 3.16Å; D1230-E1232 WeakPolarHBondContact OD1-CA 3.4Å; D1230-E1232 WeakPolarHBondContact OD1-CB 3.05Å; D1230-E1232 PolarHBondContact OD1-N 3.03Å; D1230-I1233 HydrophobicContact CB-CB 4.13Å; D1230-I1233 HydrophobicContact CB-CD1 4.3Å; D1230-I1233 HydrophobicContact CB-CG1 4.32Å; D1230-I1233 PolarHBondContact O-N 3.1Å; D1230-I1233 VanDerWaalsContact O-N 3.11Å; D1230-I1233 PolarHBondContact OD1-N 3.43Å; D1230-I1233 VanDerWaalsContact OD2-CD1 3.26Å; D1230-I1233 WeakPolarHBondContact OD2-CD1 3.22Å; D1230-I1233 WeakPolarHBondContact OD2-CG1 3.46Å; D1230-L1234 VanDerWaalsContact O-CG 3.27Å; D1230-L1234 WeakPolarHBondContact O-CG 3.26Å; D1230-L1234 PolarHBondContact O-N 2.77Å | ||
| 1231 | V | 90.4 | Very high | 91.6 | Very high | 72 Ų | 72 | 57.7 Ų | 57.7 | 44% | 0.436 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.7 | -27.3 | 179.5 | -177.8 | 0 | 0 | 0 | 0 | 112.8 | D1229 N1235 | D1229-V1231 WeakPolarHBondContact O-CG2 3.4Å; D1229-V1231 PolarHBondContact O-N 3.07Å; V1231-N1235 WeakPolarHBondContact O-CB 3.43Å; V1231-N1235 PolarHBondContact O-N 2.84Å; V1231-N1235 VanDerWaalsContact O-N 3.14Å; V1231-N1235 PolarHBondContact O-ND2 2.71Å |
| 1232 | E | 91.8 | Very high | 91.7 | Very high | 132 Ų | 132 | 58.4 Ų | 58.4 | 62% | 0.617 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -71.7 | -47.2 | 174.6 | -75.3 | -156.3 | -172.2 | 0 | 0 | 111.7 | D1230 N1235 K1236 | D1230-E1232 PolarHBondContact O-N 3.01Å; D1230-E1232 VanDerWaalsContact O-N 3.16Å; D1230-E1232 WeakPolarHBondContact OD1-CA 3.4Å; D1230-E1232 WeakPolarHBondContact OD1-CB 3.05Å; D1230-E1232 PolarHBondContact OD1-N 3.03Å; E1232-N1235 PolarHBondContact O-N 2.99Å; E1232-K1236 WeakPolarHBondContact O-CD 3.33Å; E1232-K1236 VanDerWaalsContact O-CG 3.3Å; E1232-K1236 WeakPolarHBondContact O-CG 3.31Å; E1232-K1236 PolarHBondContact O-N 3.15Å; E1232-K1236 IonicContact OE2-NZ 3.38Å; E1232-K1236 PolarHBondContact OE2-NZ 3.13Å |
| 1233 | I | 92.1 | Very high | 92 | Very high | 13 Ų | 13 | 58 Ų | 58 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 178.6 | -66.2 | 179.4 | 0 | 0 | 0 | 110.3 | K1224 W1225 D1230 N1235 K1236 I1237 | K1224-I1233 HydrophobicContact CB-CD1 4.46Å; K1224-I1233 WeakPolarHBondContact O-CD1 3.33Å; W1225-I1233 HydrophobicContact CB-CD1 4.27Å; W1225-I1233 HydrophobicContact CB-CG2 3.91Å; W1225-I1233 HydrophobicContact CD2-CG2 4.12Å; W1225-I1233 HydrophobicContact CG-CG2 3.7Å; D1230-I1233 HydrophobicContact CB-CB 4.13Å; D1230-I1233 HydrophobicContact CB-CD1 4.3Å; D1230-I1233 HydrophobicContact CB-CG1 4.32Å; D1230-I1233 PolarHBondContact O-N 3.1Å; D1230-I1233 VanDerWaalsContact O-N 3.11Å; D1230-I1233 PolarHBondContact OD1-N 3.43Å; D1230-I1233 VanDerWaalsContact OD2-CD1 3.26Å; D1230-I1233 WeakPolarHBondContact OD2-CD1 3.22Å; D1230-I1233 WeakPolarHBondContact OD2-CG1 3.46Å; I1233-N1235 VanDerWaalsContact C-N 3.26Å; I1233-N1235 PolarHBondContact O-N 3.15Å; I1233-K1236 WeakPolarHBondContact O-CB 3.42Å; I1233-K1236 PolarHBondContact O-N 3.29Å; I1233-I1237 HydrophobicContact CG2-CD1 3.81Å; I1233-I1237 HydrophobicContact CG2-CG1 4.29Å; I1233-I1237 WeakPolarHBondContact O-CB 3.43Å; I1233-I1237 WeakPolarHBondContact O-CG1 3.17Å; I1233-I1237 PolarHBondContact O-N 3.36Å |
| 1234 | L | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.4 | -38 | 173.6 | -63.3 | 175 | 0 | 0 | 0 | 112.1 | W1225 D1230 K1238 T1285 I1289 L1363 L1364 | W1225-L1234 HydrophobicContact CH2-CD2 4.32Å; W1225-L1234 HydrophobicContact CZ2-CD2 3.65Å; D1230-L1234 VanDerWaalsContact O-CG 3.27Å; D1230-L1234 WeakPolarHBondContact O-CG 3.26Å; D1230-L1234 PolarHBondContact O-N 2.77Å; L1234-K1238 VanDerWaalsContact O-CB 3.23Å; L1234-K1238 WeakPolarHBondContact O-CB 3.31Å; L1234-K1238 PolarHBondContact O-N 3.24Å; L1234-T1285 HydrophobicContact CD2-CG2 3.61Å; L1234-I1289 HydrophobicContact CB-CD1 4.38Å; L1234-I1289 HydrophobicContact CD2-CD1 3.96Å; L1234-L1363 HydrophobicContact CD1-CB 3.86Å; L1234-L1363 HydrophobicContact CD1-CD1 4.3Å; L1234-L1364 HydrophobicContact CB-CD1 3.65Å; L1234-L1364 WeakPolarHBondContact O-CD1 3.35Å |
| 1235 | N | 93.7 | Very high | 92.9 | Very high | 62 Ų | 62 | 45.2 Ų | 45.2 | 33% | 0.332 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -74.1 | -29.9 | 174.8 | -81.6 | -73.1 | 0 | 0 | 0 | 113.7 | V1231 E1232 I1233 S1239 | V1231-N1235 WeakPolarHBondContact O-CB 3.43Å; V1231-N1235 PolarHBondContact O-N 2.84Å; V1231-N1235 VanDerWaalsContact O-N 3.14Å; V1231-N1235 PolarHBondContact O-ND2 2.71Å; E1232-N1235 PolarHBondContact O-N 2.99Å; I1233-N1235 VanDerWaalsContact C-N 3.26Å; I1233-N1235 PolarHBondContact O-N 3.15Å; N1235-S1239 WeakPolarHBondContact O-CB 3.49Å; N1235-S1239 PolarHBondContact O-N 3.2Å; N1235-S1239 PolarHBondContact O-OG 2.9Å |
| 1236 | K | 93.6 | Very high | 92.9 | Very high | 90 Ų | 90 | 48.4 Ų | 48.4 | 39% | 0.391 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.3 | -49.2 | 170.9 | -67.7 | 157.1 | -165.3 | 158.1 | 0 | 110.2 | E1232 I1233 K1238 S1239 A1240 | E1232-K1236 WeakPolarHBondContact O-CD 3.33Å; E1232-K1236 VanDerWaalsContact O-CG 3.3Å; E1232-K1236 WeakPolarHBondContact O-CG 3.31Å; E1232-K1236 PolarHBondContact O-N 3.15Å; E1232-K1236 IonicContact OE2-NZ 3.38Å; E1232-K1236 PolarHBondContact OE2-NZ 3.13Å; I1233-K1236 WeakPolarHBondContact O-CB 3.42Å; I1233-K1236 PolarHBondContact O-N 3.29Å; K1236-K1238 PolarHBondContact O-N 2.91Å; K1236-S1239 WeakPolarHBondContact O-CB 3.39Å; K1236-S1239 PolarHBondContact O-N 3.02Å; K1236-S1239 VanDerWaalsContact O-N 3.1Å; K1236-A1240 PolarHBondContact O-N 3.48Å |
| 1237 | I | 95.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.3 | -51.7 | 173.9 | -71.6 | 172.1 | 0 | 0 | 0 | 111.4 | L1219 W1225 I1233 S1239 A1240 L1241 V1286 I1289 | L1219-I1237 HydrophobicContact CB-CG2 4.43Å; L1219-I1237 HydrophobicContact CD1-CG2 4.42Å; W1225-I1237 HydrophobicContact CD2-CD1 3.98Å; W1225-I1237 HydrophobicContact CE3-CD1 3.52Å; W1225-I1237 HydrophobicContact CH2-CD1 3.87Å; W1225-I1237 HydrophobicContact CZ2-CD1 4.32Å; W1225-I1237 HydrophobicContact CZ3-CD1 3.45Å; W1225-I1237 VanDerWaalsContact CZ3-CD1 3.45Å; I1233-I1237 HydrophobicContact CG2-CD1 3.81Å; I1233-I1237 HydrophobicContact CG2-CG1 4.29Å; I1233-I1237 WeakPolarHBondContact O-CB 3.43Å; I1233-I1237 WeakPolarHBondContact O-CG1 3.17Å; I1233-I1237 PolarHBondContact O-N 3.36Å; I1237-S1239 VanDerWaalsContact C-N 3.26Å; I1237-S1239 PolarHBondContact O-N 3.47Å; I1237-A1240 PolarHBondContact O-N 2.85Å; I1237-A1240 VanDerWaalsContact O-N 3.14Å; I1237-L1241 HydrophobicContact CG2-CD1 4.01Å; I1237-L1241 HydrophobicContact CG2-CG 4.49Å; I1237-L1241 WeakPolarHBondContact O-CG 3.36Å; I1237-L1241 PolarHBondContact O-N 3.41Å; I1237-V1286 HydrophobicContact CD1-CG2 4.41Å; I1237-V1286 HydrophobicContact CG2-CG1 4.25Å; I1237-V1286 HydrophobicContact CG2-CG2 4.06Å; I1237-I1289 HydrophobicContact CG2-CD1 3.91Å |
| 1238 | K | 95.4 | Very high | 93.3 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 16% | 0.161 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.4 | -39.5 | 175.2 | -177.7 | -153.5 | -155.8 | 156.2 | 0 | 112.9 | L1234 K1236 W1242 I1289 L1293 L1364 Q1365 | L1234-K1238 VanDerWaalsContact O-CB 3.23Å; L1234-K1238 WeakPolarHBondContact O-CB 3.31Å; L1234-K1238 PolarHBondContact O-N 3.24Å; K1236-K1238 PolarHBondContact O-N 2.91Å; K1238-W1242 WeakPolarHBondContact O-CB 3.35Å; K1238-W1242 PolarHBondContact O-N 3.23Å; K1238-I1289 HydrophobicContact CB-CG2 3.73Å; K1238-I1289 HydrophobicContact CG-CG2 3.96Å; K1238-L1293 HydrophobicContact CG-CD1 4.27Å; K1238-L1293 HydrophobicContact CG-CD2 4.17Å; K1238-L1293 HydrophobicContact CG-CG 4.46Å; K1238-L1364 HydrophobicContact CB-CD1 4.14Å; K1238-L1364 HydrophobicContact CD-CD1 4.13Å; K1238-L1364 HydrophobicContact CD-CD2 3.96Å; K1238-L1364 HydrophobicContact CD-CG 4.39Å; K1238-L1364 HydrophobicContact CG-CD2 4.34Å; K1238-Q1365 PolarHBondContact NZ-O 3.46Å |
| 1239 | S | 95.1 | Very high | 93.3 | Very high | 57 Ų | 57 | 36.9 Ų | 36.9 | 40% | 0.399 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -70.1 | -39.2 | 178.9 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | N1235 K1236 I1237 W1242 F1243 | N1235-S1239 WeakPolarHBondContact O-CB 3.49Å; N1235-S1239 PolarHBondContact O-N 3.2Å; N1235-S1239 PolarHBondContact O-OG 2.9Å; K1236-S1239 WeakPolarHBondContact O-CB 3.39Å; K1236-S1239 PolarHBondContact O-N 3.02Å; K1236-S1239 VanDerWaalsContact O-N 3.1Å; I1237-S1239 VanDerWaalsContact C-N 3.26Å; I1237-S1239 PolarHBondContact O-N 3.47Å; S1239-W1242 PolarHBondContact O-N 2.89Å; S1239-F1243 WeakPolarHBondContact O-CB 3.4Å; S1239-F1243 PolarHBondContact O-N 2.95Å |
| 1240 | A | 96.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.2 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | A1161 V1164 L1219 K1236 I1237 F1243 I1244 | A1161-A1240 HydrophobicContact CB-CB 4.27Å; A1161-A1240 WeakPolarHBondContact O-CB 3.34Å; V1164-A1240 HydrophobicContact CG1-CB 4.1Å; L1219-A1240 HydrophobicContact CD1-CB 3.91Å; L1219-A1240 HydrophobicContact CD2-CB 3.91Å; K1236-A1240 PolarHBondContact O-N 3.48Å; I1237-A1240 PolarHBondContact O-N 2.85Å; I1237-A1240 VanDerWaalsContact O-N 3.14Å; A1240-F1243 PolarHBondContact O-N 2.88Å; A1240-I1244 PolarHBondContact O-N 2.77Å |
| 1241 | L | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.6 | -50.9 | 170.7 | -76.4 | 170.2 | 0 | 0 | 0 | 111.1 | L1212 V1215 I1216 L1219 I1237 F1243 I1244 M1245 V1286 I1289 S1290 L1293 | L1212-L1241 HydrophobicContact CD1-CD2 4.46Å; V1215-L1241 HydrophobicContact CG1-CD2 3.99Å; I1216-L1241 HydrophobicContact CG1-CD2 4.31Å; L1219-L1241 HydrophobicContact CD1-CD2 3.97Å; L1219-L1241 HydrophobicContact CD1-CG 3.77Å; I1237-L1241 HydrophobicContact CG2-CD1 4.01Å; I1237-L1241 HydrophobicContact CG2-CG 4.49Å; I1237-L1241 WeakPolarHBondContact O-CG 3.36Å; I1237-L1241 PolarHBondContact O-N 3.41Å; L1241-F1243 VanDerWaalsContact C-N 3.32Å; L1241-F1243 PolarHBondContact O-N 2.73Å; L1241-I1244 PolarHBondContact O-N 3.15Å; L1241-I1244 VanDerWaalsContact O-N 3.15Å; L1241-M1245 HydrophobicContact CB-SD 4.32Å; L1241-M1245 WeakPolarHBondContact O-CB 3.45Å; L1241-M1245 VanDerWaalsContact O-CG 3.28Å; L1241-M1245 WeakPolarHBondContact O-CG 3.49Å; L1241-M1245 PolarHBondContact O-N 2.93Å; L1241-V1286 HydrophobicContact CD1-CG1 4.05Å; L1241-V1286 HydrophobicContact CD2-CG1 4.3Å; L1241-I1289 HydrophobicContact CD1-CB 3.87Å; L1241-I1289 HydrophobicContact CD1-CG2 3.56Å; L1241-S1290 WeakPolarHBondContact CD1-OG 3.45Å; L1241-S1290 VanDerWaalsContact CD2-OG 3.31Å; L1241-S1290 WeakPolarHBondContact CD2-OG 3.48Å; L1241-L1293 HydrophobicContact CB-CD1 3.62Å; L1241-L1293 HydrophobicContact CD1-CD1 4.39Å |
| 1242 | W | 95 | Very high | 91.2 | Very high | 51 Ų | 51 | 36 Ų | 36 | 19% | 0.193 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | -179.2 | -176.3 | -109.5 | 0 | 0 | 0 | 112.7 | K1238 S1239 I1244 M1245 E1246 M1249 L1293 R1297 | K1238-W1242 WeakPolarHBondContact O-CB 3.35Å; K1238-W1242 PolarHBondContact O-N 3.23Å; S1239-W1242 PolarHBondContact O-N 2.89Å; W1242-I1244 PolarHBondContact O-N 2.88Å; W1242-M1245 PolarHBondContact O-N 3.35Å; W1242-E1246 HydrophobicContact CD2-CB 3.99Å; W1242-E1246 HydrophobicContact CE3-CB 4.28Å; W1242-E1246 HydrophobicContact CH2-CB 3.82Å; W1242-E1246 HydrophobicContact CH2-CG 4.11Å; W1242-E1246 HydrophobicContact CZ2-CB 3.54Å; W1242-E1246 HydrophobicContact CZ2-CG 3.56Å; W1242-E1246 WeakPolarHBondContact CZ2-OE1 3.17Å; W1242-E1246 HydrophobicContact CZ3-CB 4.19Å; W1242-E1246 VanDerWaalsContact NE1-CD 3.33Å; W1242-E1246 PolarHBondContact NE1-OE1 2.62Å; W1242-E1246 PolarHBondContact NE1-OE2 2.95Å; W1242-E1246 WeakPolarHBondContact O-CB 3.47Å; W1242-E1246 PolarHBondContact O-N 2.86Å; W1242-M1249 HydrophobicContact CZ3-CE 4.49Å; W1242-L1293 HydrophobicContact CB-CD1 4.22Å; W1242-L1293 HydrophobicContact CB-CD2 4.33Å; W1242-L1293 HydrophobicContact CE3-CD2 4.07Å; W1242-R1297 HydrophobicContact CE3-CB 4.3Å; W1242-R1297 HydrophobicContact CE3-CG 4.27Å; W1242-R1297 HydrophobicContact CH2-CB 3.4Å; W1242-R1297 VanDerWaalsContact CH2-CB 3.4Å; W1242-R1297 HydrophobicContact CH2-CG 3.86Å; W1242-R1297 HydrophobicContact CZ2-CB 4.36Å; W1242-R1297 HydrophobicContact CZ2-CG 4.43Å; W1242-R1297 HydrophobicContact CZ3-CB 3.35Å; W1242-R1297 HydrophobicContact CZ3-CG 3.76Å |
| 1243 | F | 95.7 | Very high | 90.6 | Very high | 14 Ų | 14 | 36.5 Ų | 36.5 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.1 | -33.2 | 176.7 | -175.1 | -92.1 | 0 | 0 | 0 | 113.2 | F1160 V1164 A1175 K1176 S1239 A1240 L1241 P1247 | F1160-F1243 WeakPolarHBondContact O-CE1 3.43Å; V1164-F1243 HydrophobicContact CG2-CB 4.04Å; V1164-F1243 HydrophobicContact CG2-CD2 3.9Å; V1164-F1243 HydrophobicContact CG2-CG 4.18Å; A1175-F1243 HydrophobicContact CB-CZ 4.18Å; K1176-F1243 HydrophobicContact CB-CE2 3.78Å; K1176-F1243 HydrophobicContact CB-CZ 3.66Å; K1176-F1243 HydrophobicContact CD-CD2 4.32Å; K1176-F1243 HydrophobicContact CD-CE2 4.06Å; K1176-F1243 HydrophobicContact CG-CE2 4.04Å; K1176-F1243 HydrophobicContact CG-CZ 4.13Å; S1239-F1243 WeakPolarHBondContact O-CB 3.4Å; S1239-F1243 PolarHBondContact O-N 2.95Å; A1240-F1243 PolarHBondContact O-N 2.88Å; L1241-F1243 VanDerWaalsContact C-N 3.32Å; L1241-F1243 PolarHBondContact O-N 2.73Å; F1243-P1247 VanDerWaalsContact O-CD 3.31Å; F1243-P1247 WeakPolarHBondContact O-CD 3.28Å |
| 1244 | I | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -86.1 | -49.1 | 176.5 | -66.2 | -63.9 | 0 | 0 | 0 | 111.8 | F1160 A1161 F1179 V1211 V1215 A1240 L1241 W1242 E1246 P1247 I1248 | F1160-I1244 HydrophobicContact CB-CD1 3.8Å; A1161-I1244 HydrophobicContact CB-CD1 4.41Å; A1161-I1244 HydrophobicContact CB-CG1 3.91Å; F1179-I1244 HydrophobicContact CD2-CD1 4.05Å; F1179-I1244 HydrophobicContact CE1-CD1 4.01Å; F1179-I1244 HydrophobicContact CE1-CG2 4.48Å; F1179-I1244 HydrophobicContact CE2-CD1 3.47Å; F1179-I1244 VanDerWaalsContact CE2-CD1 3.47Å; F1179-I1244 HydrophobicContact CZ-CB 4.34Å; F1179-I1244 HydrophobicContact CZ-CD1 3.48Å; F1179-I1244 VanDerWaalsContact CZ-CD1 3.48Å; F1179-I1244 HydrophobicContact CZ-CG1 4.48Å; F1179-I1244 HydrophobicContact CZ-CG2 3.92Å; V1211-I1244 HydrophobicContact CG1-CG2 3.95Å; V1215-I1244 HydrophobicContact CG1-CG1 4.33Å; V1215-I1244 HydrophobicContact CG2-CG1 4.2Å; V1215-I1244 HydrophobicContact CG2-CG2 4.16Å; A1240-I1244 PolarHBondContact O-N 2.77Å; L1241-I1244 PolarHBondContact O-N 3.15Å; L1241-I1244 VanDerWaalsContact O-N 3.15Å; W1242-I1244 PolarHBondContact O-N 2.88Å; I1244-E1246 PolarHBondContact O-N 2.92Å; I1244-P1247 WeakPolarHBondContact O-CD 3.34Å; I1244-I1248 HydrophobicContact CG2-CD1 3.78Å; I1244-I1248 WeakPolarHBondContact O-CG1 3.49Å |
| 1245 | M | 94.8 | Very high | 90 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.1 | -35.5 | -171.6 | -69.4 | -179.2 | 79 | 0 | 0 | 112.5 | L1212 L1241 W1242 I1248 M1249 S1290 L1293 L1294 | L1212-M1245 HydrophobicContact CD1-CG 4.14Å; L1212-M1245 HydrophobicContact CD1-SD 4.21Å; L1212-M1245 HydrophobicContact CD2-CE 4.44Å; L1241-M1245 HydrophobicContact CB-SD 4.32Å; L1241-M1245 WeakPolarHBondContact O-CB 3.45Å; L1241-M1245 VanDerWaalsContact O-CG 3.28Å; L1241-M1245 WeakPolarHBondContact O-CG 3.49Å; L1241-M1245 PolarHBondContact O-N 2.93Å; W1242-M1245 PolarHBondContact O-N 3.35Å; M1245-I1248 PolarHBondContact O-N 3.49Å; M1245-I1248 VanDerWaalsContact O-N 3.14Å; M1245-M1249 HydrophobicContact CB-SD 3.84Å; M1245-M1249 HydrophobicContact CE-SD 3.91Å; M1245-M1249 VanDerWaalsContact O-CB 3.29Å; M1245-M1249 WeakPolarHBondContact O-CB 3.36Å; M1245-M1249 VanDerWaalsContact O-CG 3.26Å; M1245-M1249 WeakPolarHBondContact O-CG 3.24Å; M1245-M1249 PolarHBondContact O-N 3.11Å; M1245-S1290 WeakPolarHBondContact CE-O 3.28Å; M1245-L1293 HydrophobicContact SD-CB 4.32Å; M1245-L1293 HydrophobicContact SD-CD1 4.36Å; M1245-L1294 HydrophobicContact CE-CB 4.07Å |
| 1246 | E | 92.7 | Very high | 89.7 | Confident | 70 Ų | 70 | 35 Ų | 35 | 33% | 0.327 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.9 | -51.3 | -178.6 | 173.1 | -178.5 | -134.5 | 0 | 0 | 113.4 | K1176 W1242 I1244 I1248 S1250 | K1176-E1246 IonicContact NZ-OE2 2.76Å; K1176-E1246 PolarHBondContact NZ-OE2 2.8Å; W1242-E1246 HydrophobicContact CD2-CB 3.99Å; W1242-E1246 HydrophobicContact CE3-CB 4.28Å; W1242-E1246 HydrophobicContact CH2-CB 3.82Å; W1242-E1246 HydrophobicContact CH2-CG 4.11Å; W1242-E1246 HydrophobicContact CZ2-CB 3.54Å; W1242-E1246 HydrophobicContact CZ2-CG 3.56Å; W1242-E1246 WeakPolarHBondContact CZ2-OE1 3.17Å; W1242-E1246 HydrophobicContact CZ3-CB 4.19Å; W1242-E1246 VanDerWaalsContact NE1-CD 3.33Å; W1242-E1246 PolarHBondContact NE1-OE1 2.62Å; W1242-E1246 PolarHBondContact NE1-OE2 2.95Å; W1242-E1246 WeakPolarHBondContact O-CB 3.47Å; W1242-E1246 PolarHBondContact O-N 2.86Å; I1244-E1246 PolarHBondContact O-N 2.92Å; E1246-I1248 VanDerWaalsContact C-N 3.3Å; E1246-I1248 PolarHBondContact O-N 3.15Å; E1246-S1250 PolarHBondContact O-N 3.38Å |
| 1247 | P | 92.3 | Very high | 89.5 | Confident | 16 Ų | 16 | 30.9 Ų | 30.9 | 10% | 0.104 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.8 | -31.4 | 170.2 | -29.8 | 37.3 | 0 | 0 | 0 | 115.8 | F1179 I1180 I1183 F1243 I1244 S1250 | F1179-P1247 HydrophobicContact CD1-CB 4.03Å; F1179-P1247 HydrophobicContact CD1-CG 3.99Å; F1179-P1247 HydrophobicContact CE1-CB 3.97Å; F1179-P1247 HydrophobicContact CE1-CG 4.14Å; I1180-P1247 HydrophobicContact CD1-CG 4.5Å; I1180-P1247 HydrophobicContact CG1-CB 3.9Å; I1180-P1247 HydrophobicContact CG1-CG 4.03Å; I1183-P1247 HydrophobicContact CD1-CB 3.54Å; F1243-P1247 VanDerWaalsContact O-CD 3.31Å; F1243-P1247 WeakPolarHBondContact O-CD 3.28Å; I1244-P1247 WeakPolarHBondContact O-CD 3.34Å; P1247-S1250 PolarHBondContact O-OG 3.22Å |
| 1248 | I | 91.1 | Very high | 89.3 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -75.7 | -46.2 | -178.4 | -69.5 | 173.4 | 0 | 0 | 0 | 110.2 | F1179 I1183 R1187 D1209 V1211 I1244 M1245 E1246 S1250 N1254 L1258 | F1179-I1248 HydrophobicContact CE1-CG1 4.45Å; F1179-I1248 HydrophobicContact CZ-CD1 4.22Å; F1179-I1248 HydrophobicContact CZ-CG1 4.45Å; I1183-I1248 HydrophobicContact CD1-CG1 3.73Å; R1187-I1248 PolarHBondContact NH2-O 3.12Å; D1209-I1248 HydrophobicContact CB-CG2 4.23Å; V1211-I1248 HydrophobicContact CG1-CD1 3.57Å; I1244-I1248 HydrophobicContact CG2-CD1 3.78Å; I1244-I1248 WeakPolarHBondContact O-CG1 3.49Å; M1245-I1248 PolarHBondContact O-N 3.49Å; M1245-I1248 VanDerWaalsContact O-N 3.14Å; E1246-I1248 VanDerWaalsContact C-N 3.3Å; E1246-I1248 PolarHBondContact O-N 3.15Å; I1248-S1250 VanDerWaalsContact C-N 3.26Å; I1248-S1250 PolarHBondContact O-N 2.76Å; I1248-N1254 WeakPolarHBondContact CG2-ND2 3.48Å; I1248-N1254 PolarHBondContact O-ND2 3.04Å; I1248-L1258 HydrophobicContact CG2-CD1 4.1Å; I1248-L1258 HydrophobicContact CG2-CD2 4.23Å |
| 1249 | M | 88.7 | Confident | 89.1 | Confident | 12 Ų | 12 | 33.3 Ų | 33.3 | 6% | 0.059 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -78.2 | 2.1 | -175.1 | -68.8 | 168.1 | 48.2 | 0 | 0 | 114.6 | W1242 M1245 H1251 G1252 L1258 L1294 C1298 | W1242-M1249 HydrophobicContact CZ3-CE 4.49Å; M1245-M1249 HydrophobicContact CB-SD 3.84Å; M1245-M1249 HydrophobicContact CE-SD 3.91Å; M1245-M1249 VanDerWaalsContact O-CB 3.29Å; M1245-M1249 WeakPolarHBondContact O-CB 3.36Å; M1245-M1249 VanDerWaalsContact O-CG 3.26Å; M1245-M1249 WeakPolarHBondContact O-CG 3.24Å; M1245-M1249 PolarHBondContact O-N 3.11Å; M1249-H1251 PolarHBondContact O-N 2.74Å; M1249-G1252 PolarHBondContact O-N 2.78Å; M1249-L1258 HydrophobicContact CG-CD1 3.64Å; M1249-L1294 HydrophobicContact CE-CD1 3.84Å; M1249-L1294 HydrophobicContact CG-CD1 4.35Å; M1249-L1294 HydrophobicContact SD-CD1 3.82Å; M1249-C1298 HydrophobicContact CE-CB 3.58Å |
| 1250 | S | 78.6 | Confident | 88.9 | Confident | 71 Ų | 71 | 34.5 Ų | 34.5 | 50% | 0.497 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -23.4 | -168.6 | 62.9 | 0 | 0 | 0 | 0 | 116.1 | E1246 P1247 I1248 | E1246-S1250 PolarHBondContact O-N 3.38Å; P1247-S1250 PolarHBondContact O-OG 3.22Å; I1248-S1250 VanDerWaalsContact C-N 3.26Å; I1248-S1250 PolarHBondContact O-N 2.76Å |
| 1251 | H | 71.5 | Confident | 88.8 | Confident | 119 Ų | 119 | 34.4 Ų | 34.4 | 55% | 0.551 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | -12 | 178.6 | -54.6 | -65.6 | 0 | 0 | 0 | 113.8 | M1249 E1253 | M1249-H1251 PolarHBondContact O-N 2.74Å; H1251-E1253 HydrophobicContact CB-CG 4.25Å; H1251-E1253 PolarHBondContact O-N 3.48Å |
| 1252 | G | 74.4 | Confident | 88.7 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 69.7 | -9.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | M1249 N1254 F1255 N1300 T1302 | M1249-G1252 PolarHBondContact O-N 2.78Å; G1252-N1254 PolarHBondContact O-N 3.37Å; G1252-N1254 VanDerWaalsContact O-N 3.17Å; G1252-F1255 WeakPolarHBondContact O-CB 3.25Å; G1252-F1255 PolarHBondContact O-N 3.13Å; G1252-N1300 CarbonylContact C-O 3.54Å; G1252-N1300 WeakPolarHBondContact CA-O 3.32Å; G1252-T1302 WeakPolarHBondContact O-CB 3.5Å; G1252-T1302 PolarHBondContact O-N 2.67Å; G1252-T1302 VanDerWaalsContact O-N 3.11Å |
| 1253 | E | 78.8 | Confident | 88.5 | Confident | 143 Ų | 143 | 34.4 Ų | 34.4 | 67% | 0.668 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.8 | 177.2 | -63.1 | 177.3 | 164.4 | 0 | 0 | 113.9 | H1251 | H1251-E1253 HydrophobicContact CB-CG 4.25Å; H1251-E1253 PolarHBondContact O-N 3.48Å |
| 1254 | N | 84.4 | Confident | 88.4 | Confident | 9 Ų | 9 | 36.9 Ų | 36.9 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 3.1 | -175.7 | 54.7 | -3.5 | 0 | 0 | 0 | 114.3 | R1187 D1209 I1248 G1252 S1256 F1257 L1258 | R1187-N1254 PolarHBondContact NH2-ND2 3.04Å; D1209-N1254 PolarHBondContact OD1-ND2 3.26Å; I1248-N1254 WeakPolarHBondContact CG2-ND2 3.48Å; I1248-N1254 PolarHBondContact O-ND2 3.04Å; G1252-N1254 PolarHBondContact O-N 3.37Å; G1252-N1254 VanDerWaalsContact O-N 3.17Å; N1254-S1256 PolarHBondContact O-N 2.92Å; N1254-F1257 PolarHBondContact O-N 3.05Å; N1254-F1257 VanDerWaalsContact O-N 3.12Å; N1254-L1258 HydrophobicContact CB-CD1 4.44Å; N1254-L1258 HydrophobicContact CB-CG 4.48Å; N1254-L1258 WeakPolarHBondContact O-CG 3.34Å; N1254-L1258 PolarHBondContact O-N 3.25Å |
| 1255 | F | 88.1 | Confident | 88.3 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -51.5 | -52.5 | -173.1 | 175.7 | -96 | 0 | 0 | 0 | 113.5 | G1252 F1257 L1258 R1259 L1294 L1295 C1298 P1301 I1303 | G1252-F1255 WeakPolarHBondContact O-CB 3.25Å; G1252-F1255 PolarHBondContact O-N 3.13Å; F1255-F1257 VanDerWaalsContact C-N 3.3Å; F1255-F1257 PolarHBondContact O-N 3.09Å; F1255-L1258 PolarHBondContact O-N 2.9Å; F1255-R1259 WeakPolarHBondContact O-CB 3.49Å; F1255-R1259 PolarHBondContact O-N 3.46Å; F1255-L1294 HydrophobicContact CD2-CD1 3.72Å; F1255-L1294 HydrophobicContact CD2-CG 3.97Å; F1255-L1294 HydrophobicContact CE2-CD1 4.12Å; F1255-L1294 HydrophobicContact CE2-CD2 4.46Å; F1255-L1294 HydrophobicContact CE2-CG 3.86Å; F1255-L1295 HydrophobicContact CE2-CD2 4.06Å; F1255-L1295 HydrophobicContact CZ-CD2 3.72Å; F1255-C1298 HydrophobicContact CD2-CB 3.97Å; F1255-C1298 HydrophobicContact CE2-CB 4.32Å; F1255-P1301 HydrophobicContact CB-CB 4.26Å; F1255-P1301 HydrophobicContact CD1-CB 3.89Å; F1255-P1301 HydrophobicContact CD2-CB 3.59Å; F1255-P1301 HydrophobicContact CE1-CB 4.08Å; F1255-P1301 HydrophobicContact CE2-CB 3.78Å; F1255-P1301 HydrophobicContact CG-CB 3.64Å; F1255-P1301 HydrophobicContact CZ-CB 4.02Å; F1255-I1303 HydrophobicContact CD1-CG1 4.31Å; F1255-I1303 HydrophobicContact CE1-CG1 4.28Å |
| 1256 | S | 87.3 | Confident | 88.2 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.3 | -36.8 | -179.6 | -44.4 | 0 | 0 | 0 | 0 | 113.1 | N1254 K1260 T1302 K1304 | N1254-S1256 PolarHBondContact O-N 2.92Å; S1256-K1260 WeakPolarHBondContact O-CB 3.28Å; S1256-K1260 PolarHBondContact O-N 2.98Å; S1256-T1302 PolarHBondContact OG-O 3.15Å; S1256-K1304 WeakPolarHBondContact CB-O 3.42Å; S1256-K1304 PolarHBondContact OG-N 3.3Å; S1256-K1304 PolarHBondContact OG-O 3.28Å |
| 1257 | F | 90 | Very high | 88.1 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70 | -45.8 | -178.8 | -176.5 | -107.8 | 0 | 0 | 0 | 111.4 | F1204 L1207 D1209 Y1210 N1254 F1255 R1259 K1260 I1261 Y1306 V1310 | F1204-F1257 HydrophobicContact CE1-CE2 4.38Å; F1204-F1257 HydrophobicContact CE1-CZ 4.09Å; L1207-F1257 HydrophobicContact CD2-CD1 4.39Å; L1207-F1257 HydrophobicContact CD2-CE1 3.49Å; L1207-F1257 VanDerWaalsContact CD2-CE1 3.49Å; L1207-F1257 HydrophobicContact CD2-CZ 3.6Å; D1209-F1257 HydrophobicContact CB-CD1 4.31Å; D1209-F1257 HydrophobicContact CB-CE1 4.26Å; Y1210-F1257 HydrophobicContact CD2-CE1 4.01Å; Y1210-F1257 AromaticContact CD2-CZ 3.75Å; Y1210-F1257 HydrophobicContact CD2-CZ 3.75Å; Y1210-F1257 HydrophobicContact CE2-CZ 4.27Å; N1254-F1257 PolarHBondContact O-N 3.05Å; N1254-F1257 VanDerWaalsContact O-N 3.12Å; F1255-F1257 VanDerWaalsContact C-N 3.3Å; F1255-F1257 PolarHBondContact O-N 3.09Å; F1257-R1259 VanDerWaalsContact C-N 3.34Å; F1257-R1259 PolarHBondContact O-N 3.02Å; F1257-K1260 PolarHBondContact O-N 2.89Å; F1257-I1261 HydrophobicContact CD1-CD1 3.84Å; F1257-I1261 HydrophobicContact CE1-CD1 3.57Å; F1257-I1261 HydrophobicContact CZ-CD1 4.05Å; F1257-I1261 WeakPolarHBondContact O-CG1 3.5Å; F1257-I1261 PolarHBondContact O-N 3.15Å; F1257-Y1306 HydrophobicContact CB-CD1 4.19Å; F1257-Y1306 HydrophobicContact CB-CD2 3.9Å; F1257-Y1306 HydrophobicContact CB-CE2 4.46Å; F1257-Y1306 HydrophobicContact CB-CG 3.74Å; F1257-Y1306 AromaticContact CD2-CD1 3.32Å; F1257-Y1306 HydrophobicContact CD2-CD1 3.32Å; F1257-Y1306 AromaticContact CD2-CE1 3.89Å; F1257-Y1306 HydrophobicContact CD2-CE1 3.89Å; F1257-Y1306 AromaticContact CD2-CG 3.71Å; F1257-Y1306 HydrophobicContact CD2-CG 3.71Å; F1257-Y1306 AromaticContact CE2-CD1 3.77Å; F1257-Y1306 HydrophobicContact CE2-CD1 3.77Å; F1257-Y1306 HydrophobicContact CE2-CE1 4.06Å; F1257-Y1306 AromaticContact CG-CD1 3.84Å; F1257-Y1306 HydrophobicContact CG-CD1 3.84Å; F1257-Y1306 HydrophobicContact CG-CD2 4.35Å; F1257-Y1306 HydrophobicContact CG-CE1 4.18Å; F1257-Y1306 AromaticContact CG-CG 3.93Å; F1257-Y1306 HydrophobicContact CG-CG 3.93Å; F1257-Y1306 HydrophobicContact CZ-CE1 4.49Å; F1257-V1310 HydrophobicContact CD2-CG2 3.86Å; F1257-V1310 HydrophobicContact CE2-CG2 3.66Å; F1257-V1310 HydrophobicContact CZ-CG2 4.4Å |
| 1258 | L | 92.3 | Very high | 88.2 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.6 | -39.6 | 175.1 | -62.2 | 174.8 | 0 | 0 | 0 | 111.5 | D1209 L1212 I1248 M1249 N1254 F1255 I1261 I1262 L1294 | D1209-L1258 HydrophobicContact CB-CD2 4.37Å; L1212-L1258 HydrophobicContact CD2-CB 4.37Å; L1212-L1258 HydrophobicContact CD2-CD2 4Å; I1248-L1258 HydrophobicContact CG2-CD1 4.1Å; I1248-L1258 HydrophobicContact CG2-CD2 4.23Å; M1249-L1258 HydrophobicContact CG-CD1 3.64Å; N1254-L1258 HydrophobicContact CB-CD1 4.44Å; N1254-L1258 HydrophobicContact CB-CG 4.48Å; N1254-L1258 WeakPolarHBondContact O-CG 3.34Å; N1254-L1258 PolarHBondContact O-N 3.25Å; F1255-L1258 PolarHBondContact O-N 2.9Å; L1258-I1261 WeakPolarHBondContact O-CB 3.15Å; L1258-I1261 PolarHBondContact O-N 3.45Å; L1258-I1262 WeakPolarHBondContact O-CD1 3.43Å; L1258-I1262 WeakPolarHBondContact O-CG1 3.19Å; L1258-I1262 PolarHBondContact O-N 2.75Å; L1258-I1262 VanDerWaalsContact O-N 3.15Å; L1258-L1294 HydrophobicContact CB-CD1 4.32Å; L1258-L1294 HydrophobicContact CB-CD2 4.12Å; L1258-L1294 HydrophobicContact CD1-CD1 4.31Å |
| 1259 | R | 91 | Very high | 88.3 | Confident | 88 Ų | 88 | 41.2 Ų | 41.2 | 33% | 0.332 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.9 | -51.9 | 174.2 | -175.2 | -179.6 | 163.7 | 174.9 | -2.4 | 111.2 | F1255 F1257 I1261 I1262 E1263 L1291 L1294 | F1255-R1259 WeakPolarHBondContact O-CB 3.49Å; F1255-R1259 PolarHBondContact O-N 3.46Å; F1257-R1259 VanDerWaalsContact C-N 3.34Å; F1257-R1259 PolarHBondContact O-N 3.02Å; R1259-I1261 PolarHBondContact O-N 2.94Å; R1259-I1262 PolarHBondContact O-N 3.34Å; R1259-E1263 HydrophobicContact CG-CG 4.32Å; R1259-E1263 IonicContact CZ-OE1 2.64Å; R1259-E1263 IonicContact NE-OE1 3.31Å; R1259-E1263 PolarHBondContact NE-OE1 2.98Å; R1259-E1263 IonicContact NE-OE2 3.89Å; R1259-E1263 IonicContact NH2-OE1 2.62Å; R1259-E1263 PolarHBondContact NH2-OE1 3.41Å; R1259-E1263 WeakPolarHBondContact O-CG 3.46Å; R1259-E1263 PolarHBondContact O-N 2.94Å; R1259-L1291 HydrophobicContact CG-CD1 4.43Å; R1259-L1294 HydrophobicContact CB-CD2 3.88Å |
| 1260 | K | 91.6 | Very high | 88.6 | Confident | 82 Ų | 82 | 40.7 Ų | 40.7 | 36% | 0.357 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.7 | -27.8 | -179.9 | -157.1 | -179.5 | -160.8 | -171.1 | 0 | 113 | S1256 F1257 K1264 D1309 V1310 | S1256-K1260 WeakPolarHBondContact O-CB 3.28Å; S1256-K1260 PolarHBondContact O-N 2.98Å; F1257-K1260 PolarHBondContact O-N 2.89Å; K1260-K1264 WeakPolarHBondContact O-CB 3.5Å; K1260-K1264 WeakPolarHBondContact O-CG 3.2Å; K1260-K1264 PolarHBondContact O-N 3.21Å; K1260-K1264 VanDerWaalsContact O-N 3.11Å; K1260-D1309 WeakPolarHBondContact CE-OD1 3.11Å; K1260-D1309 IonicContact NZ-OD1 3.05Å; K1260-D1309 PolarHBondContact NZ-OD1 2.93Å; K1260-V1310 HydrophobicContact CB-CG2 4.28Å; K1260-V1310 HydrophobicContact CD-CG2 4.45Å; K1260-V1310 HydrophobicContact CG-CG2 4.45Å |
| 1261 | I | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.2 | -55.1 | 168.8 | -76.5 | 166.6 | 0 | 0 | 0 | 111 | Y1210 L1212 P1213 F1257 L1258 R1259 E1263 K1264 I1265 V1310 | Y1210-I1261 HydrophobicContact CD2-CD1 3.77Å; Y1210-I1261 HydrophobicContact CE2-CD1 3.95Å; Y1210-I1261 HydrophobicContact CE2-CG1 4.2Å; L1212-I1261 HydrophobicContact CB-CG2 4.48Å; L1212-I1261 HydrophobicContact CD2-CG2 4.3Å; L1212-I1261 HydrophobicContact CG-CG2 4.4Å; P1213-I1261 HydrophobicContact CG-CG2 3.76Å; F1257-I1261 HydrophobicContact CD1-CD1 3.84Å; F1257-I1261 HydrophobicContact CE1-CD1 3.57Å; F1257-I1261 HydrophobicContact CZ-CD1 4.05Å; F1257-I1261 WeakPolarHBondContact O-CG1 3.5Å; F1257-I1261 PolarHBondContact O-N 3.15Å; L1258-I1261 WeakPolarHBondContact O-CB 3.15Å; L1258-I1261 PolarHBondContact O-N 3.45Å; R1259-I1261 PolarHBondContact O-N 2.94Å; I1261-E1263 VanDerWaalsContact C-N 3.33Å; I1261-E1263 PolarHBondContact O-N 2.83Å; I1261-K1264 PolarHBondContact O-N 3.45Å; I1261-I1265 HydrophobicContact CG2-CD1 3.82Å; I1261-I1265 WeakPolarHBondContact O-CG1 3.36Å; I1261-I1265 PolarHBondContact O-N 3.06Å; I1261-I1265 VanDerWaalsContact O-N 3.07Å; I1261-V1310 HydrophobicContact CG1-CB 4.44Å; I1261-V1310 HydrophobicContact CG1-CG1 3.68Å; I1261-V1310 HydrophobicContact CG1-CG2 3.84Å |
| 1262 | I | 95 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | -176.9 | -62.1 | 160 | 0 | 0 | 0 | 110.1 | L1212 I1216 L1258 R1259 I1265 K1266 C1287 L1291 L1294 | L1212-I1262 HydrophobicContact CD2-CD1 4.1Å; L1212-I1262 HydrophobicContact CD2-CG1 3.9Å; I1216-I1262 HydrophobicContact CD1-CG1 4.15Å; L1258-I1262 WeakPolarHBondContact O-CD1 3.43Å; L1258-I1262 WeakPolarHBondContact O-CG1 3.19Å; L1258-I1262 PolarHBondContact O-N 2.75Å; L1258-I1262 VanDerWaalsContact O-N 3.15Å; R1259-I1262 PolarHBondContact O-N 3.34Å; I1262-I1265 PolarHBondContact O-N 3.29Å; I1262-K1266 PolarHBondContact O-N 2.87Å; I1262-K1266 VanDerWaalsContact O-N 3.09Å; I1262-C1287 HydrophobicContact CG2-CB 3.8Å; I1262-C1287 WeakPolarHBondContact CG2-O 3.45Å; I1262-L1291 HydrophobicContact CG2-CB 4.21Å; I1262-L1294 HydrophobicContact CD1-CD2 3.93Å |
| 1263 | E | 91.3 | Very high | 91.1 | Very high | 50 Ų | 50 | 40.5 Ų | 40.5 | 23% | 0.234 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 177.1 | -70.3 | 170.5 | 149.4 | 0 | 0 | 112 | R1259 I1261 I1265 K1266 Y1267 | R1259-E1263 HydrophobicContact CG-CG 4.32Å; R1259-E1263 IonicContact CZ-OE1 2.64Å; R1259-E1263 IonicContact NE-OE1 3.31Å; R1259-E1263 PolarHBondContact NE-OE1 2.98Å; R1259-E1263 IonicContact NE-OE2 3.89Å; R1259-E1263 IonicContact NH2-OE1 2.62Å; R1259-E1263 PolarHBondContact NH2-OE1 3.41Å; R1259-E1263 WeakPolarHBondContact O-CG 3.46Å; R1259-E1263 PolarHBondContact O-N 2.94Å; I1261-E1263 VanDerWaalsContact C-N 3.33Å; I1261-E1263 PolarHBondContact O-N 2.83Å; E1263-I1265 VanDerWaalsContact C-N 3.27Å; E1263-I1265 PolarHBondContact O-N 3.23Å; E1263-K1266 PolarHBondContact O-N 3.27Å; E1263-K1266 VanDerWaalsContact O-N 3.12Å; E1263-Y1267 WeakPolarHBondContact O-CD2 3.45Å; E1263-Y1267 PolarHBondContact O-N 3.06Å |
| 1264 | K | 92.3 | Very high | 91.7 | Very high | 67 Ų | 67 | 35.6 Ų | 35.6 | 29% | 0.291 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63 | -31.4 | 177.5 | -77.1 | -166.4 | -176 | -171.9 | 0 | 112.8 | K1260 I1261 Y1267 A1268 D1309 V1310 L1312 | K1260-K1264 WeakPolarHBondContact O-CB 3.5Å; K1260-K1264 WeakPolarHBondContact O-CG 3.2Å; K1260-K1264 PolarHBondContact O-N 3.21Å; K1260-K1264 VanDerWaalsContact O-N 3.11Å; I1261-K1264 PolarHBondContact O-N 3.45Å; K1264-Y1267 CarbonylContact O-C 3.59Å; K1264-Y1267 PolarHBondContact O-N 3.44Å; K1264-A1268 PolarHBondContact O-N 2.9Å; K1264-D1309 IonicContact NZ-OD1 2.71Å; K1264-D1309 PolarHBondContact NZ-OD1 3.16Å; K1264-D1309 IonicContact NZ-OD2 3.95Å; K1264-D1309 PolarHBondContact NZ-OD2 3.41Å; K1264-V1310 HydrophobicContact CD-CB 4.12Å; K1264-V1310 HydrophobicContact CD-CG1 4.13Å; K1264-V1310 PolarHBondContact NZ-O 3Å; K1264-L1312 HydrophobicContact CB-CD1 4.03Å; K1264-L1312 HydrophobicContact CB-CD2 4.46Å; K1264-L1312 HydrophobicContact CB-CG 4.25Å |
| 1265 | I | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.7 | -33.7 | 175.8 | -62.6 | 163 | 0 | 0 | 0 | 111 | P1213 I1216 I1261 I1262 E1263 Y1267 A1268 L1283 C1287 L1312 F1317 | P1213-I1265 HydrophobicContact CB-CD1 4.03Å; P1213-I1265 HydrophobicContact CG-CD1 4.49Å; I1216-I1265 HydrophobicContact CD1-CD1 3.9Å; I1216-I1265 HydrophobicContact CG2-CD1 4.45Å; I1216-I1265 HydrophobicContact CG2-CG2 4.29Å; I1261-I1265 HydrophobicContact CG2-CD1 3.82Å; I1261-I1265 WeakPolarHBondContact O-CG1 3.36Å; I1261-I1265 PolarHBondContact O-N 3.06Å; I1261-I1265 VanDerWaalsContact O-N 3.07Å; I1262-I1265 PolarHBondContact O-N 3.29Å; E1263-I1265 VanDerWaalsContact C-N 3.27Å; E1263-I1265 PolarHBondContact O-N 3.23Å; I1265-Y1267 PolarHBondContact O-N 3.41Å; I1265-A1268 WeakPolarHBondContact O-CB 3.25Å; I1265-A1268 PolarHBondContact O-N 2.82Å; I1265-L1283 HydrophobicContact CG2-CD1 4.05Å; I1265-L1283 HydrophobicContact CG2-CD2 4.1Å; I1265-L1283 HydrophobicContact CG2-CG 4.02Å; I1265-C1287 WeakPolarHBondContact CG2-SG 2.9Å; I1265-L1312 HydrophobicContact CB-CD1 4.46Å; I1265-L1312 HydrophobicContact CD1-CD2 4.32Å; I1265-L1312 HydrophobicContact CG1-CD1 3.77Å; I1265-L1312 HydrophobicContact CG1-CD2 3.71Å; I1265-L1312 HydrophobicContact CG1-CG 4.42Å; I1265-F1317 HydrophobicContact CB-CE1 4.46Å; I1265-F1317 HydrophobicContact CD1-CZ 4.16Å; I1265-F1317 HydrophobicContact CG1-CE1 4.12Å; I1265-F1317 HydrophobicContact CG1-CZ 4.14Å; I1265-F1317 HydrophobicContact CG2-CD1 4.09Å; I1265-F1317 HydrophobicContact CG2-CE1 3.57Å; I1265-F1317 HydrophobicContact CG2-CZ 4.26Å |
| 1266 | K | 92.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.2 | -17.9 | 174.7 | -71.2 | -169.5 | 62.9 | 174.5 | 0 | 115 | I1262 E1263 C1287 D1288 N1326 P1327 D1328 | I1262-K1266 PolarHBondContact O-N 2.87Å; I1262-K1266 VanDerWaalsContact O-N 3.09Å; E1263-K1266 PolarHBondContact O-N 3.27Å; E1263-K1266 VanDerWaalsContact O-N 3.12Å; K1266-C1287 HydrophobicContact CD-CB 3.9Å; K1266-C1287 HydrophobicContact CG-CB 3.49Å; K1266-C1287 VanDerWaalsContact CG-CB 3.49Å; K1266-D1288 IonicContact NZ-OD1 3.76Å; K1266-D1288 PolarHBondContact NZ-OD1 3.16Å; K1266-N1326 WeakPolarHBondContact CE-ND2 3.33Å; K1266-P1327 PolarHBondContact NZ-O 3.19Å; K1266-D1328 VanDerWaalsContact NZ-CA 3.34Å; K1266-D1328 IonicContact NZ-OD1 2.8Å; K1266-D1328 PolarHBondContact NZ-OD1 3.07Å |
| 1267 | Y | 90.9 | Very high | 92.4 | Very high | 110 Ų | 110 | 47.8 Ų | 47.8 | 43% | 0.431 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 13 | 170.1 | -60.5 | -72.1 | 0 | 0 | 0 | 112.8 | E1263 K1264 I1265 A1320 | E1263-Y1267 WeakPolarHBondContact O-CD2 3.45Å; E1263-Y1267 PolarHBondContact O-N 3.06Å; K1264-Y1267 CarbonylContact O-C 3.59Å; K1264-Y1267 PolarHBondContact O-N 3.44Å; I1265-Y1267 PolarHBondContact O-N 3.41Å; Y1267-A1320 VanDerWaalsContact O-CB 3.27Å; Y1267-A1320 WeakPolarHBondContact O-CB 3.33Å; Y1267-A1320 PolarHBondContact O-N 3.34Å |
| 1268 | A | 93.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.033 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 168.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | K1264 I1265 Y1284 L1312 F1317 T1318 | K1264-A1268 PolarHBondContact O-N 2.9Å; I1265-A1268 WeakPolarHBondContact O-CB 3.25Å; I1265-A1268 PolarHBondContact O-N 2.82Å; A1268-Y1284 VanDerWaalsContact O-CE1 3.29Å; A1268-Y1284 WeakPolarHBondContact O-CE1 3.33Å; A1268-Y1284 PolarHBondContact O-OH 3.35Å; A1268-L1312 HydrophobicContact CB-CD1 4.09Å; A1268-F1317 HydrophobicContact CB-CB 4.04Å; A1268-F1317 HydrophobicContact CB-CD1 4.22Å; A1268-F1317 HydrophobicContact CB-CG 4.5Å; A1268-T1318 CarbonylContact C-O 3.57Å; A1268-T1318 WeakPolarHBondContact CA-O 3.21Å; A1268-T1318 VanDerWaalsContact CB-O 3.25Å; A1268-T1318 WeakPolarHBondContact CB-O 3.22Å |
| 1269 | R | 94.1 | Very high | 92.5 | Very high | 67 Ų | 67 | 51.4 Ų | 51.4 | 25% | 0.253 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 163.4 | 161.9 | -80.3 | 176.2 | 169.7 | -154.6 | 12 | 109.5 | P1274 D1275 N1280 F1317 T1318 A1320 | R1269-P1274 WeakPolarHBondContact CD-O 3.48Å; R1269-P1274 PolarHBondContact NH1-O 3.24Å; R1269-D1275 IonicContact NH1-OD1 2.66Å; R1269-D1275 PolarHBondContact NH1-OD1 2.62Å; R1269-N1280 WeakPolarHBondContact CA-OD1 3.42Å; R1269-N1280 WeakPolarHBondContact CB-OD1 3.13Å; R1269-F1317 WeakPolarHBondContact O-CA 3.42Å; R1269-T1318 WeakPolarHBondContact CB-OG1 3.41Å; R1269-T1318 PolarHBondContact N-O 2.89Å; R1269-T1318 PolarHBondContact O-N 3.37Å; R1269-T1318 PolarHBondContact O-OG1 2.95Å; R1269-A1320 HydrophobicContact CG-CB 4.23Å |
| 1270 | D | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 146.1 | 167.3 | -174.5 | -100.1 | 0 | 0 | 0 | 111.1 | Y1217 H1221 L1272 H1273 P1274 I1279 N1280 T1318 | Y1217-D1270 WeakPolarHBondContact CE2-OD2 3.35Å; Y1217-D1270 PolarHBondContact OH-OD2 3.19Å; H1221-D1270 IonicContact CE1-OD2 3.28Å; H1221-D1270 PolarHBondContact CE1-OD2 3.44Å; H1221-D1270 IonicContact NE2-OD2 3.79Å; D1270-L1272 VanDerWaalsContact OD1-CA 3.32Å; D1270-L1272 WeakPolarHBondContact OD1-CA 3.4Å; D1270-L1272 VanDerWaalsContact OD1-CB 3.26Å; D1270-L1272 WeakPolarHBondContact OD1-CB 3.4Å; D1270-L1272 PolarHBondContact OD1-N 3.44Å; D1270-H1273 PolarHBondContact OD1-N 2.91Å; D1270-P1274 VanDerWaalsContact O-CA 3.3Å; D1270-P1274 WeakPolarHBondContact O-CA 3.44Å; D1270-P1274 WeakPolarHBondContact O-CB 3.41Å; D1270-I1279 HydrophobicContact CB-CG2 4.03Å; D1270-N1280 PolarHBondContact N-OD1 3.23Å; D1270-T1318 PolarHBondContact O-OG1 3.16Å |
| 1271 | A | 93.6 | Very high | 92.7 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 26% | 0.264 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -95.2 | -12.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1315 L1316 T1318 | A1271-T1315 WeakPolarHBondContact CB-O 3.35Å; A1271-L1316 WeakPolarHBondContact CB-O 3.06Å; A1271-L1316 PolarHBondContact N-O 3.14Å; A1271-L1316 VanDerWaalsContact N-O 3.09Å; A1271-T1318 HydrophobicContact CB-CG2 3.95Å |
| 1272 | L | 91.1 | Very high | 92.7 | Very high | 70 Ų | 70 | 48.6 Ų | 48.6 | 37% | 0.366 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -93.7 | -38.3 | -178.6 | -126.1 | 165.6 | 0 | 0 | 0 | 110.8 | I1118 D1270 | I1118-L1272 HydrophobicContact CB-CD1 3.87Å; I1118-L1272 HydrophobicContact CG2-CD1 3.84Å; D1270-L1272 VanDerWaalsContact OD1-CA 3.32Å; D1270-L1272 WeakPolarHBondContact OD1-CA 3.4Å; D1270-L1272 VanDerWaalsContact OD1-CB 3.26Å; D1270-L1272 WeakPolarHBondContact OD1-CB 3.4Å; D1270-L1272 PolarHBondContact OD1-N 3.44Å |
| 1273 | H | 92.2 | Very high | 92.8 | Very high | 86 Ų | 86 | 48.6 Ų | 48.6 | 40% | 0.398 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -138.5 | 63.2 | -177.7 | -55.6 | -61 | 0 | 0 | 0 | 110.3 | D1270 D1275 D1276 I1279 N1280 | D1270-H1273 PolarHBondContact OD1-N 2.91Å; H1273-D1275 PolarHBondContact O-N 3.41Å; H1273-D1275 VanDerWaalsContact O-N 3.07Å; H1273-D1276 HydrophobicContact CB-CB 3.79Å; H1273-D1276 PolarHBondContact O-N 3.03Å; H1273-D1276 VanDerWaalsContact O-N 3.17Å; H1273-I1279 HydrophobicContact CB-CD1 3.88Å; H1273-N1280 PolarHBondContact O-ND2 3.45Å |
| 1274 | P | 90.9 | Very high | 93 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 25% | 0.253 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18.6 | -176.5 | 25 | -35.2 | 0 | 0 | 0 | 114.4 | R1269 D1270 | R1269-P1274 WeakPolarHBondContact CD-O 3.48Å; R1269-P1274 PolarHBondContact NH1-O 3.24Å; D1270-P1274 VanDerWaalsContact O-CA 3.3Å; D1270-P1274 WeakPolarHBondContact O-CA 3.44Å; D1270-P1274 WeakPolarHBondContact O-CB 3.41Å |
| 1275 | D | 91.5 | Very high | 93.1 | Very high | 131 Ų | 131 | 43.4 Ų | 43.4 | 70% | 0.701 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -4.4 | -178.2 | -55.1 | -54.8 | 0 | 0 | 0 | 113.5 | R1269 H1273 T1277 | R1269-D1275 IonicContact NH1-OD1 2.66Å; R1269-D1275 PolarHBondContact NH1-OD1 2.62Å; H1273-D1275 PolarHBondContact O-N 3.41Å; H1273-D1275 VanDerWaalsContact O-N 3.07Å; D1275-T1277 PolarHBondContact O-N 3.35Å |
| 1276 | D | 92.4 | Very high | 93.1 | Very high | 63 Ų | 63 | 43.4 Ų | 43.4 | 34% | 0.337 | 22% | 0.223 | S | C | . | . | trans | -77.7 | 106.1 | 172.8 | -176.2 | -41.8 | 0 | 0 | 0 | 109.4 | H1273 L1278 I1279 N1280 | H1273-D1276 HydrophobicContact CB-CB 3.79Å; H1273-D1276 PolarHBondContact O-N 3.03Å; H1273-D1276 VanDerWaalsContact O-N 3.17Å; D1276-L1278 VanDerWaalsContact C-N 3.29Å; D1276-L1278 PolarHBondContact O-N 2.65Å; D1276-L1278 WeakPolarHBondContact OD1-CA 3.42Å; D1276-L1278 WeakPolarHBondContact OD1-CB 3.31Å; D1276-L1278 PolarHBondContact OD1-N 3.13Å; D1276-I1279 HydrophobicContact CB-CB 4.1Å; D1276-I1279 HydrophobicContact CB-CD1 4.11Å; D1276-I1279 HydrophobicContact CB-CG1 4.22Å; D1276-I1279 PolarHBondContact O-N 3.45Å; D1276-I1279 PolarHBondContact OD1-N 2.77Å; D1276-I1279 WeakPolarHBondContact OD2-CD1 3.07Å; D1276-N1280 PolarHBondContact O-N 2.9Å; D1276-N1280 PolarHBondContact O-ND2 3.31Å | ||
| 1277 | T | 90.5 | Very high | 93.3 | Very high | 106 Ų | 106 | 43.3 Ų | 43.3 | 65% | 0.65 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -60.6 | -38.8 | -179 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | D1275 N1280 E1281 | D1275-T1277 PolarHBondContact O-N 3.35Å; T1277-N1280 PolarHBondContact O-N 2.68Å; T1277-E1281 WeakPolarHBondContact O-CB 3.26Å; T1277-E1281 VanDerWaalsContact O-CG 3.3Å; T1277-E1281 WeakPolarHBondContact O-CG 3.29Å; T1277-E1281 PolarHBondContact O-N 2.62Å |
| 1278 | L | 92.7 | Very high | 93.5 | Very high | 61 Ų | 61 | 38 Ų | 38 | 32% | 0.319 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70 | -39.8 | -176.9 | 179.1 | 64 | 0 | 0 | 0 | 111.8 | L1228 D1276 E1281 K1282 | L1228-L1278 HydrophobicContact CD1-CD1 4.24Å; L1228-L1278 HydrophobicContact CD2-CD1 4.23Å; L1228-L1278 HydrophobicContact CG-CD1 3.92Å; D1276-L1278 VanDerWaalsContact C-N 3.29Å; D1276-L1278 PolarHBondContact O-N 2.65Å; D1276-L1278 WeakPolarHBondContact OD1-CA 3.42Å; D1276-L1278 WeakPolarHBondContact OD1-CB 3.31Å; D1276-L1278 PolarHBondContact OD1-N 3.13Å; L1278-E1281 PolarHBondContact O-N 2.84Å; L1278-K1282 HydrophobicContact CG-CD 4.44Å; L1278-K1282 WeakPolarHBondContact O-CB 3.23Å; L1278-K1282 WeakPolarHBondContact O-CG 3.46Å; L1278-K1282 PolarHBondContact O-N 2.89Å |
| 1279 | I | 92.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 37.9 Ų | 37.9 | 11% | 0.108 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.3 | -40.2 | 175.4 | -68.3 | 176.8 | 0 | 0 | 0 | 110.8 | D1270 H1273 D1276 K1282 L1283 | D1270-I1279 HydrophobicContact CB-CG2 4.03Å; H1273-I1279 HydrophobicContact CB-CD1 3.88Å; D1276-I1279 HydrophobicContact CB-CB 4.1Å; D1276-I1279 HydrophobicContact CB-CD1 4.11Å; D1276-I1279 HydrophobicContact CB-CG1 4.22Å; D1276-I1279 PolarHBondContact O-N 3.45Å; D1276-I1279 PolarHBondContact OD1-N 2.77Å; D1276-I1279 WeakPolarHBondContact OD2-CD1 3.07Å; I1279-K1282 WeakPolarHBondContact O-CB 3.46Å; I1279-K1282 PolarHBondContact O-N 3.29Å; I1279-L1283 WeakPolarHBondContact O-CB 3.32Å; I1279-L1283 PolarHBondContact O-N 3.15Å |
| 1280 | N | 93.1 | Very high | 93.7 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.6 | -43.2 | 175.5 | -74.7 | -80.6 | 0 | 0 | 0 | 111.8 | R1269 D1270 H1273 D1276 T1277 K1282 L1283 Y1284 | R1269-N1280 WeakPolarHBondContact CA-OD1 3.42Å; R1269-N1280 WeakPolarHBondContact CB-OD1 3.13Å; D1270-N1280 PolarHBondContact N-OD1 3.23Å; H1273-N1280 PolarHBondContact O-ND2 3.45Å; D1276-N1280 PolarHBondContact O-N 2.9Å; D1276-N1280 PolarHBondContact O-ND2 3.31Å; T1277-N1280 PolarHBondContact O-N 2.68Å; N1280-K1282 PolarHBondContact O-N 3.06Å; N1280-L1283 WeakPolarHBondContact O-CB 3.48Å; N1280-L1283 PolarHBondContact O-N 2.83Å; N1280-Y1284 HydrophobicContact CB-CE2 3.99Å; N1280-Y1284 WeakPolarHBondContact O-CD2 3.41Å; N1280-Y1284 WeakPolarHBondContact O-CE2 3.48Å; N1280-Y1284 PolarHBondContact O-N 3.33Å |
| 1281 | E | 93.1 | Very high | 93.6 | Very high | 81 Ų | 81 | 34.8 Ų | 34.8 | 38% | 0.379 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.4 | -38 | 174.5 | -74 | -179 | 136.4 | 0 | 0 | 112.9 | L1228 T1277 L1278 Y1284 T1285 | L1228-E1281 HydrophobicContact CD1-CB 3.71Å; L1228-E1281 HydrophobicContact CD1-CG 4.44Å; L1228-E1281 HydrophobicContact CD2-CB 4.11Å; T1277-E1281 WeakPolarHBondContact O-CB 3.26Å; T1277-E1281 VanDerWaalsContact O-CG 3.3Å; T1277-E1281 WeakPolarHBondContact O-CG 3.29Å; T1277-E1281 PolarHBondContact O-N 2.62Å; L1278-E1281 PolarHBondContact O-N 2.84Å; E1281-Y1284 PolarHBondContact O-N 3.27Å; E1281-T1285 WeakPolarHBondContact O-CB 3.43Å; E1281-T1285 PolarHBondContact O-N 2.84Å; E1281-T1285 PolarHBondContact O-OG1 3.05Å |
| 1282 | K | 95.1 | Very high | 93.6 | Very high | 22 Ų | 22 | 33.2 Ų | 33.2 | 10% | 0.096 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.7 | -49.9 | 169.7 | -76.3 | 167.9 | 178 | 175.6 | 0 | 111.1 | W1225 L1228 L1278 I1279 N1280 Y1284 T1285 V1286 | W1225-K1282 HydrophobicContact CD2-CD 4.22Å; W1225-K1282 HydrophobicContact CD2-CG 3.89Å; W1225-K1282 HydrophobicContact CE3-CB 3.99Å; W1225-K1282 HydrophobicContact CE3-CD 4.03Å; W1225-K1282 HydrophobicContact CE3-CG 3.72Å; W1225-K1282 HydrophobicContact CH2-CB 3.83Å; W1225-K1282 HydrophobicContact CH2-CG 3.93Å; W1225-K1282 WeakPolarHBondContact CH2-O 3.3Å; W1225-K1282 HydrophobicContact CZ2-CB 4.43Å; W1225-K1282 HydrophobicContact CZ2-CG 4.06Å; W1225-K1282 HydrophobicContact CZ3-CB 3.58Å; W1225-K1282 HydrophobicContact CZ3-CD 4.46Å; W1225-K1282 HydrophobicContact CZ3-CG 3.75Å; W1225-K1282 WeakPolarHBondContact O-CE 3.42Å; W1225-K1282 PolarHBondContact O-NZ 3.12Å; L1228-K1282 HydrophobicContact CD2-CB 4.43Å; L1228-K1282 HydrophobicContact CD2-CG 3.74Å; L1278-K1282 HydrophobicContact CG-CD 4.44Å; L1278-K1282 WeakPolarHBondContact O-CB 3.23Å; L1278-K1282 WeakPolarHBondContact O-CG 3.46Å; L1278-K1282 PolarHBondContact O-N 2.89Å; I1279-K1282 WeakPolarHBondContact O-CB 3.46Å; I1279-K1282 PolarHBondContact O-N 3.29Å; N1280-K1282 PolarHBondContact O-N 3.06Å; K1282-Y1284 VanDerWaalsContact C-N 3.29Å; K1282-Y1284 PolarHBondContact O-N 3.12Å; K1282-T1285 WeakPolarHBondContact O-CB 3.38Å; K1282-T1285 PolarHBondContact O-N 3.09Å; K1282-T1285 VanDerWaalsContact O-N 3.13Å; K1282-V1286 WeakPolarHBondContact O-CG2 3.23Å; K1282-V1286 PolarHBondContact O-N 3.46Å |
| 1283 | L | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.7 | -45 | 178.5 | -178.9 | 67.4 | 0 | 0 | 0 | 111.5 | I1216 I1265 I1279 N1280 V1286 C1287 F1317 | I1216-L1283 HydrophobicContact CG2-CD1 3.74Å; I1265-L1283 HydrophobicContact CG2-CD1 4.05Å; I1265-L1283 HydrophobicContact CG2-CD2 4.1Å; I1265-L1283 HydrophobicContact CG2-CG 4.02Å; I1279-L1283 WeakPolarHBondContact O-CB 3.32Å; I1279-L1283 PolarHBondContact O-N 3.15Å; N1280-L1283 WeakPolarHBondContact O-CB 3.48Å; N1280-L1283 PolarHBondContact O-N 2.83Å; L1283-V1286 PolarHBondContact O-N 3.13Å; L1283-C1287 PolarHBondContact O-N 3.07Å; L1283-C1287 PolarHBondContact O-SG 3.48Å; L1283-F1317 HydrophobicContact CD1-CE1 4.07Å; L1283-F1317 HydrophobicContact CD2-CD1 4.32Å; L1283-F1317 HydrophobicContact CD2-CE1 4.13Å |
| 1284 | Y | 95.4 | Very high | 93.6 | Very high | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.027 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.3 | -38.3 | 176.5 | -58.3 | -29.9 | 0 | 0 | 0 | 113.3 | A1268 N1280 E1281 K1282 V1286 C1287 D1288 F1324 N1326 | A1268-Y1284 VanDerWaalsContact O-CE1 3.29Å; A1268-Y1284 WeakPolarHBondContact O-CE1 3.33Å; A1268-Y1284 PolarHBondContact O-OH 3.35Å; N1280-Y1284 HydrophobicContact CB-CE2 3.99Å; N1280-Y1284 WeakPolarHBondContact O-CD2 3.41Å; N1280-Y1284 WeakPolarHBondContact O-CE2 3.48Å; N1280-Y1284 PolarHBondContact O-N 3.33Å; E1281-Y1284 PolarHBondContact O-N 3.27Å; K1282-Y1284 VanDerWaalsContact C-N 3.29Å; K1282-Y1284 PolarHBondContact O-N 3.12Å; Y1284-V1286 VanDerWaalsContact C-N 3.34Å; Y1284-V1286 PolarHBondContact O-N 3.2Å; Y1284-C1287 CarbonylContact O-C 3.56Å; Y1284-C1287 WeakPolarHBondContact O-CA 2.86Å; Y1284-C1287 VanDerWaalsContact O-CB 3.29Å; Y1284-C1287 WeakPolarHBondContact O-CB 3.24Å; Y1284-C1287 PolarHBondContact O-N 3.33Å; Y1284-C1287 VanDerWaalsContact O-N 3.14Å; Y1284-D1288 PolarHBondContact O-N 3.13Å; Y1284-F1324 HydrophobicContact CD2-CZ 4.38Å; Y1284-F1324 AromaticContact CE2-CE1 3.93Å; Y1284-F1324 HydrophobicContact CE2-CE1 3.93Å; Y1284-F1324 AromaticContact CE2-CZ 3.55Å; Y1284-F1324 HydrophobicContact CE2-CZ 3.55Å; Y1284-F1324 AromaticContact CZ-CE1 3.75Å; Y1284-F1324 AromaticContact CZ-CZ 3.87Å; Y1284-F1324 WeakPolarHBondContact OH-CE1 3.44Å; Y1284-N1326 VanDerWaalsContact CB-ND2 3.27Å; Y1284-N1326 WeakPolarHBondContact CB-ND2 3.28Å; Y1284-N1326 VanDerWaalsContact CG-ND2 3.26Å |
| 1285 | T | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 175.1 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | W1225 L1234 E1281 K1282 C1287 D1288 I1289 Q1331 L1332 | W1225-T1285 HydrophobicContact CH2-CG2 4.1Å; W1225-T1285 HydrophobicContact CZ2-CG2 4.06Å; L1234-T1285 HydrophobicContact CD2-CG2 3.61Å; E1281-T1285 WeakPolarHBondContact O-CB 3.43Å; E1281-T1285 PolarHBondContact O-N 2.84Å; E1281-T1285 PolarHBondContact O-OG1 3.05Å; K1282-T1285 WeakPolarHBondContact O-CB 3.38Å; K1282-T1285 PolarHBondContact O-N 3.09Å; K1282-T1285 VanDerWaalsContact O-N 3.13Å; T1285-C1287 VanDerWaalsContact C-N 3.33Å; T1285-D1288 PolarHBondContact O-N 3.29Å; T1285-I1289 WeakPolarHBondContact O-CG1 3.36Å; T1285-I1289 PolarHBondContact O-N 3.22Å; T1285-Q1331 HydrophobicContact CG2-CB 4.36Å; T1285-Q1331 WeakPolarHBondContact OG1-CB 3.46Å; T1285-L1332 HydrophobicContact CG2-CD2 3.81Å |
| 1286 | V | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.6 | -35.1 | 174 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | I1216 L1219 W1225 I1237 L1241 K1282 L1283 Y1284 S1290 | I1216-V1286 HydrophobicContact CB-CG1 4.18Å; I1216-V1286 HydrophobicContact CG1-CG1 4.19Å; I1216-V1286 HydrophobicContact CG2-CB 4.29Å; I1216-V1286 HydrophobicContact CG2-CG1 3.98Å; L1219-V1286 HydrophobicContact CB-CG1 4.18Å; L1219-V1286 HydrophobicContact CB-CG2 4.46Å; W1225-V1286 HydrophobicContact CH2-CG2 3.89Å; W1225-V1286 HydrophobicContact CZ3-CG2 3.61Å; I1237-V1286 HydrophobicContact CD1-CG2 4.41Å; I1237-V1286 HydrophobicContact CG2-CG1 4.25Å; I1237-V1286 HydrophobicContact CG2-CG2 4.06Å; L1241-V1286 HydrophobicContact CD1-CG1 4.05Å; L1241-V1286 HydrophobicContact CD2-CG1 4.3Å; K1282-V1286 WeakPolarHBondContact O-CG2 3.23Å; K1282-V1286 PolarHBondContact O-N 3.46Å; L1283-V1286 PolarHBondContact O-N 3.13Å; Y1284-V1286 VanDerWaalsContact C-N 3.34Å; Y1284-V1286 PolarHBondContact O-N 3.2Å; V1286-S1290 WeakPolarHBondContact O-CB 3.38Å; V1286-S1290 PolarHBondContact O-N 2.8Å; V1286-S1290 PolarHBondContact O-OG 2.88Å |
| 1287 | C | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.6 | -46.5 | 170.9 | -67 | 0 | 0 | 0 | 0 | 112.2 | I1262 I1265 K1266 L1283 Y1284 T1285 I1289 S1290 L1291 | I1262-C1287 HydrophobicContact CG2-CB 3.8Å; I1262-C1287 WeakPolarHBondContact CG2-O 3.45Å; I1265-C1287 WeakPolarHBondContact CG2-SG 2.9Å; K1266-C1287 HydrophobicContact CD-CB 3.9Å; K1266-C1287 HydrophobicContact CG-CB 3.49Å; K1266-C1287 VanDerWaalsContact CG-CB 3.49Å; L1283-C1287 PolarHBondContact O-N 3.07Å; L1283-C1287 PolarHBondContact O-SG 3.48Å; Y1284-C1287 CarbonylContact O-C 3.56Å; Y1284-C1287 WeakPolarHBondContact O-CA 2.86Å; Y1284-C1287 VanDerWaalsContact O-CB 3.29Å; Y1284-C1287 WeakPolarHBondContact O-CB 3.24Å; Y1284-C1287 PolarHBondContact O-N 3.33Å; Y1284-C1287 VanDerWaalsContact O-N 3.14Å; T1285-C1287 VanDerWaalsContact C-N 3.33Å; C1287-I1289 VanDerWaalsContact C-N 3.33Å; C1287-I1289 PolarHBondContact O-N 2.84Å; C1287-S1290 CarbonylContact O-C 3.53Å; C1287-S1290 WeakPolarHBondContact O-CA 3.35Å; C1287-S1290 WeakPolarHBondContact O-CB 3.38Å; C1287-S1290 PolarHBondContact O-N 3.03Å; C1287-S1290 VanDerWaalsContact O-N 3.08Å; C1287-L1291 WeakPolarHBondContact O-CB 3.28Å; C1287-L1291 PolarHBondContact O-N 2.89Å |
| 1288 | D | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.3 | -39.7 | 177 | -79.9 | -16.3 | 0 | 0 | 0 | 111.8 | K1266 Y1284 T1285 S1290 L1291 G1292 F1329 K1330 Q1331 L1332 | K1266-D1288 IonicContact NZ-OD1 3.76Å; K1266-D1288 PolarHBondContact NZ-OD1 3.16Å; Y1284-D1288 PolarHBondContact O-N 3.13Å; T1285-D1288 PolarHBondContact O-N 3.29Å; D1288-S1290 VanDerWaalsContact C-N 3.33Å; D1288-S1290 PolarHBondContact O-N 3.4Å; D1288-L1291 PolarHBondContact O-N 3.05Å; D1288-G1292 PolarHBondContact O-N 2.87Å; D1288-F1329 HydrophobicContact CB-CD1 4.23Å; D1288-F1329 VanDerWaalsContact CG-CA 3.4Å; D1288-F1329 WeakPolarHBondContact O-CE1 3.48Å; D1288-F1329 PolarHBondContact OD1-N 3.16Å; D1288-F1329 WeakPolarHBondContact OD2-CA 3.06Å; D1288-F1329 PolarHBondContact OD2-N 3.23Å; D1288-K1330 PolarHBondContact OD2-N 3.23Å; D1288-Q1331 PolarHBondContact OD2-N 3.21Å; D1288-Q1331 PolarHBondContact OD2-OE1 2.77Å; D1288-L1332 HydrophobicContact CB-CD1 3.8Å; D1288-L1332 HydrophobicContact CB-CG 3.88Å |
| 1289 | I | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 173.6 | -63.3 | 168.9 | 0 | 0 | 0 | 110.9 | L1234 I1237 K1238 L1241 T1285 C1287 G1292 L1293 L1332 L1364 F1366 | L1234-I1289 HydrophobicContact CB-CD1 4.38Å; L1234-I1289 HydrophobicContact CD2-CD1 3.96Å; I1237-I1289 HydrophobicContact CG2-CD1 3.91Å; K1238-I1289 HydrophobicContact CB-CG2 3.73Å; K1238-I1289 HydrophobicContact CG-CG2 3.96Å; L1241-I1289 HydrophobicContact CD1-CB 3.87Å; L1241-I1289 HydrophobicContact CD1-CG2 3.56Å; T1285-I1289 WeakPolarHBondContact O-CG1 3.36Å; T1285-I1289 PolarHBondContact O-N 3.22Å; C1287-I1289 VanDerWaalsContact C-N 3.33Å; C1287-I1289 PolarHBondContact O-N 2.84Å; I1289-G1292 PolarHBondContact O-N 3.05Å; I1289-L1293 HydrophobicContact CG2-CD1 4.15Å; I1289-L1293 WeakPolarHBondContact O-CB 3.43Å; I1289-L1293 VanDerWaalsContact O-CG 3.3Å; I1289-L1293 WeakPolarHBondContact O-CG 3.3Å; I1289-L1293 PolarHBondContact O-N 3.35Å; I1289-L1332 HydrophobicContact CD1-CD2 4.44Å; I1289-L1332 HydrophobicContact CG1-CD1 3.97Å; I1289-L1332 HydrophobicContact CG1-CD2 3.96Å; I1289-L1364 HydrophobicContact CD1-CD1 4.37Å; I1289-F1366 HydrophobicContact CG2-CE1 4.41Å |
| 1290 | S | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 177.7 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | L1241 M1245 V1286 C1287 D1288 L1293 L1294 | L1241-S1290 WeakPolarHBondContact CD1-OG 3.45Å; L1241-S1290 VanDerWaalsContact CD2-OG 3.31Å; L1241-S1290 WeakPolarHBondContact CD2-OG 3.48Å; M1245-S1290 WeakPolarHBondContact CE-O 3.28Å; V1286-S1290 WeakPolarHBondContact O-CB 3.38Å; V1286-S1290 PolarHBondContact O-N 2.8Å; V1286-S1290 PolarHBondContact O-OG 2.88Å; C1287-S1290 CarbonylContact O-C 3.53Å; C1287-S1290 WeakPolarHBondContact O-CA 3.35Å; C1287-S1290 WeakPolarHBondContact O-CB 3.38Å; C1287-S1290 PolarHBondContact O-N 3.03Å; C1287-S1290 VanDerWaalsContact O-N 3.08Å; D1288-S1290 VanDerWaalsContact C-N 3.33Å; D1288-S1290 PolarHBondContact O-N 3.4Å; S1290-L1293 PolarHBondContact O-N 2.75Å; S1290-L1294 WeakPolarHBondContact O-CB 3.2Å; S1290-L1294 PolarHBondContact O-N 3.47Å |
| 1291 | L | 93.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.5 | -45.2 | 176.4 | -172.5 | 63 | 0 | 0 | 0 | 111.2 | R1259 I1262 C1287 D1288 L1293 L1294 L1295 D1328 F1329 | R1259-L1291 HydrophobicContact CG-CD1 4.43Å; I1262-L1291 HydrophobicContact CG2-CB 4.21Å; C1287-L1291 WeakPolarHBondContact O-CB 3.28Å; C1287-L1291 PolarHBondContact O-N 2.89Å; D1288-L1291 PolarHBondContact O-N 3.05Å; L1291-L1293 VanDerWaalsContact C-N 3.34Å; L1291-L1293 PolarHBondContact O-N 3.05Å; L1291-L1294 PolarHBondContact O-N 2.67Å; L1291-L1295 HydrophobicContact CD1-CD1 4.02Å; L1291-L1295 HydrophobicContact CD1-CG 4.15Å; L1291-L1295 HydrophobicContact CG-CD1 3.92Å; L1291-L1295 HydrophobicContact CG-CG 4.36Å; L1291-L1295 WeakPolarHBondContact O-CB 3.2Å; L1291-L1295 WeakPolarHBondContact O-CG 3.27Å; L1291-L1295 PolarHBondContact O-N 3.49Å; L1291-D1328 HydrophobicContact CD2-CB 4Å; L1291-D1328 VanDerWaalsContact CD2-CG 3.44Å; L1291-F1329 HydrophobicContact CB-CE1 4.28Å; L1291-F1329 HydrophobicContact CB-CZ 4.3Å; L1291-F1329 HydrophobicContact CD2-CE1 4.36Å; L1291-F1329 HydrophobicContact CD2-CE2 4.15Å; L1291-F1329 HydrophobicContact CD2-CZ 3.85Å; L1291-F1329 HydrophobicContact CG-CE1 4.36Å; L1291-F1329 HydrophobicContact CG-CZ 3.88Å |
| 1292 | G | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.9 | -36.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | D1288 I1289 S1296 F1366 | D1288-G1292 PolarHBondContact O-N 2.87Å; I1289-G1292 PolarHBondContact O-N 3.05Å; G1292-S1296 WeakPolarHBondContact O-CB 3.43Å; G1292-S1296 PolarHBondContact O-N 3.24Å; G1292-S1296 PolarHBondContact O-OG 3.13Å; G1292-F1366 VanDerWaalsContact C-CD1 3.47Å |
| 1293 | L | 92.7 | Very high | 88.2 | Confident | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.2 | -46.3 | 171.1 | -73.9 | 171.5 | 0 | 0 | 0 | 111.8 | K1238 L1241 W1242 M1245 I1289 S1290 L1291 S1296 R1297 F1366 | K1238-L1293 HydrophobicContact CG-CD1 4.27Å; K1238-L1293 HydrophobicContact CG-CD2 4.17Å; K1238-L1293 HydrophobicContact CG-CG 4.46Å; L1241-L1293 HydrophobicContact CB-CD1 3.62Å; L1241-L1293 HydrophobicContact CD1-CD1 4.39Å; W1242-L1293 HydrophobicContact CB-CD1 4.22Å; W1242-L1293 HydrophobicContact CB-CD2 4.33Å; W1242-L1293 HydrophobicContact CE3-CD2 4.07Å; M1245-L1293 HydrophobicContact SD-CB 4.32Å; M1245-L1293 HydrophobicContact SD-CD1 4.36Å; I1289-L1293 HydrophobicContact CG2-CD1 4.15Å; I1289-L1293 WeakPolarHBondContact O-CB 3.43Å; I1289-L1293 VanDerWaalsContact O-CG 3.3Å; I1289-L1293 WeakPolarHBondContact O-CG 3.3Å; I1289-L1293 PolarHBondContact O-N 3.35Å; S1290-L1293 PolarHBondContact O-N 2.75Å; L1291-L1293 VanDerWaalsContact C-N 3.34Å; L1291-L1293 PolarHBondContact O-N 3.05Å; L1293-S1296 PolarHBondContact O-N 2.96Å; L1293-R1297 WeakPolarHBondContact O-CB 3.27Å; L1293-R1297 PolarHBondContact O-N 3.43Å; L1293-F1366 HydrophobicContact CD2-CD1 4.4Å; L1293-F1366 HydrophobicContact CG-CD1 4.47Å; L1293-F1366 HydrophobicContact CG-CE1 4.27Å |
| 1294 | L | 91.2 | Very high | 87 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.2 | -51.4 | 179 | -178.2 | 59.7 | 0 | 0 | 0 | 111.3 | M1245 M1249 F1255 L1258 R1259 I1262 S1290 L1291 C1298 | M1245-L1294 HydrophobicContact CE-CB 4.07Å; M1249-L1294 HydrophobicContact CE-CD1 3.84Å; M1249-L1294 HydrophobicContact CG-CD1 4.35Å; M1249-L1294 HydrophobicContact SD-CD1 3.82Å; F1255-L1294 HydrophobicContact CD2-CD1 3.72Å; F1255-L1294 HydrophobicContact CD2-CG 3.97Å; F1255-L1294 HydrophobicContact CE2-CD1 4.12Å; F1255-L1294 HydrophobicContact CE2-CD2 4.46Å; F1255-L1294 HydrophobicContact CE2-CG 3.86Å; L1258-L1294 HydrophobicContact CB-CD1 4.32Å; L1258-L1294 HydrophobicContact CB-CD2 4.12Å; L1258-L1294 HydrophobicContact CD1-CD1 4.31Å; R1259-L1294 HydrophobicContact CB-CD2 3.88Å; I1262-L1294 HydrophobicContact CD1-CD2 3.93Å; S1290-L1294 WeakPolarHBondContact O-CB 3.2Å; S1290-L1294 PolarHBondContact O-N 3.47Å; L1291-L1294 PolarHBondContact O-N 2.67Å; L1294-C1298 WeakPolarHBondContact O-CB 3.42Å; L1294-C1298 PolarHBondContact O-N 2.92Å |
| 1295 | L | 88.9 | Confident | 85.6 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.7 | -31.4 | -177.5 | -64.1 | 179.1 | 0 | 0 | 0 | 113.6 | F1255 L1291 F1329 T1372 A1374 L1379 I1380 | F1255-L1295 HydrophobicContact CE2-CD2 4.06Å; F1255-L1295 HydrophobicContact CZ-CD2 3.72Å; L1291-L1295 HydrophobicContact CD1-CD1 4.02Å; L1291-L1295 HydrophobicContact CD1-CG 4.15Å; L1291-L1295 HydrophobicContact CG-CD1 3.92Å; L1291-L1295 HydrophobicContact CG-CG 4.36Å; L1291-L1295 WeakPolarHBondContact O-CB 3.2Å; L1291-L1295 WeakPolarHBondContact O-CG 3.27Å; L1291-L1295 PolarHBondContact O-N 3.49Å; L1295-F1329 HydrophobicContact CD1-CZ 4.18Å; L1295-T1372 WeakPolarHBondContact O-CG2 3.04Å; L1295-A1374 HydrophobicContact CD2-CB 4.17Å; L1295-L1379 HydrophobicContact CD1-CB 4.17Å; L1295-L1379 VanDerWaalsContact CD1-O 3.29Å; L1295-L1379 WeakPolarHBondContact CD1-O 3.42Å; L1295-L1379 HydrophobicContact CD2-CD1 4.45Å; L1295-I1380 HydrophobicContact CB-CD1 3.73Å; L1295-I1380 HydrophobicContact CB-CG1 3.79Å; L1295-I1380 HydrophobicContact CD1-CG1 4.18Å |
| 1296 | S | 87.6 | Confident | 84.5 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -86.6 | -27.5 | -178.4 | 66.1 | 0 | 0 | 0 | 0 | 113.9 | G1292 L1293 P1368 N1369 T1372 | G1292-S1296 WeakPolarHBondContact O-CB 3.43Å; G1292-S1296 PolarHBondContact O-N 3.24Å; G1292-S1296 PolarHBondContact O-OG 3.13Å; L1293-S1296 PolarHBondContact O-N 2.96Å; S1296-P1368 WeakPolarHBondContact O-CA 3.48Å; S1296-N1369 PolarHBondContact O-N 3.42Å; S1296-T1372 PolarHBondContact O-OG1 3.38Å; S1296-T1372 VanDerWaalsContact O-OG1 3.08Å |
| 1297 | R | 86.3 | Confident | 83.2 | Confident | 79 Ų | 79 | 48.3 Ų | 48.3 | 30% | 0.298 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -116.2 | -14.8 | -170.5 | -63.3 | -62.7 | -173.4 | 84 | -4.6 | 116.7 | W1242 L1293 I1299 T1367 | W1242-R1297 HydrophobicContact CE3-CB 4.3Å; W1242-R1297 HydrophobicContact CE3-CG 4.27Å; W1242-R1297 HydrophobicContact CH2-CB 3.4Å; W1242-R1297 VanDerWaalsContact CH2-CB 3.4Å; W1242-R1297 HydrophobicContact CH2-CG 3.86Å; W1242-R1297 HydrophobicContact CZ2-CB 4.36Å; W1242-R1297 HydrophobicContact CZ2-CG 4.43Å; W1242-R1297 HydrophobicContact CZ3-CB 3.35Å; W1242-R1297 HydrophobicContact CZ3-CG 3.76Å; L1293-R1297 WeakPolarHBondContact O-CB 3.27Å; L1293-R1297 PolarHBondContact O-N 3.43Å; R1297-I1299 PolarHBondContact O-N 3.02Å; R1297-I1299 VanDerWaalsContact O-N 3.08Å; R1297-T1367 PolarHBondContact NE-O 2.97Å |
| 1298 | C | 83.2 | Confident | 82.2 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | trans | -63.9 | 111.1 | 176.7 | -167.1 | 0 | 0 | 0 | 0 | 110.6 | M1249 F1255 L1294 T1372 | M1249-C1298 HydrophobicContact CE-CB 3.58Å; F1255-C1298 HydrophobicContact CD2-CB 3.97Å; F1255-C1298 HydrophobicContact CE2-CB 4.32Å; L1294-C1298 WeakPolarHBondContact O-CB 3.42Å; L1294-C1298 PolarHBondContact O-N 2.92Å; C1298-T1372 WeakPolarHBondContact O-CG2 3.34Å | ||
| 1299 | I | 73.8 | Confident | 81.5 | Confident | 97 Ų | 97 | 53.3 Ų | 53.3 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -64 | -49.8 | -171.6 | -53.8 | 179.6 | 0 | 0 | 0 | 110.9 | R1297 | R1297-I1299 PolarHBondContact O-N 3.02Å; R1297-I1299 VanDerWaalsContact O-N 3.08Å |
| 1300 | N | 74.5 | Confident | 81.1 | Confident | 112 Ų | 112 | 53.5 Ų | 53.5 | 60% | 0.599 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -125 | 77.2 | -176.5 | -67 | -17.9 | 0 | 0 | 0 | 110.5 | G1252 T1302 | G1252-N1300 CarbonylContact C-O 3.54Å; G1252-N1300 WeakPolarHBondContact CA-O 3.32Å; N1300-T1302 PolarHBondContact O-N 3.35Å |
| 1301 | P | 74.5 | Confident | 80.8 | Confident | 22 Ų | 22 | 60.2 Ų | 60.2 | 14% | 0.143 | 30% | 0.3 | C | S | . | . | trans | -66.5 | 109.3 | -176.7 | 27.4 | -34 | 0 | 0 | 0 | 110.8 | F1255 I1303 K1373 | F1255-P1301 HydrophobicContact CB-CB 4.26Å; F1255-P1301 HydrophobicContact CD1-CB 3.89Å; F1255-P1301 HydrophobicContact CD2-CB 3.59Å; F1255-P1301 HydrophobicContact CE1-CB 4.08Å; F1255-P1301 HydrophobicContact CE2-CB 3.78Å; F1255-P1301 HydrophobicContact CG-CB 3.64Å; F1255-P1301 HydrophobicContact CZ-CB 4.02Å; P1301-I1303 PolarHBondContact O-N 3.34Å; P1301-K1373 HydrophobicContact CG-CB 4.14Å | ||
| 1302 | T | 74.2 | Confident | 80.7 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 28% | 0.282 | 31% | 0.307 | S | S | . | . | trans | -87.7 | 96.9 | -179.6 | -57.8 | 0 | 0 | 0 | 0 | 109.7 | G1252 S1256 N1300 K1304 | G1252-T1302 WeakPolarHBondContact O-CB 3.5Å; G1252-T1302 PolarHBondContact O-N 2.67Å; G1252-T1302 VanDerWaalsContact O-N 3.11Å; S1256-T1302 PolarHBondContact OG-O 3.15Å; N1300-T1302 PolarHBondContact O-N 3.35Å; T1302-K1304 VanDerWaalsContact C-N 3.27Å; T1302-K1304 HydrophobicContact CG2-CB 4.47Å; T1302-K1304 HydrophobicContact CG2-CD 4.12Å; T1302-K1304 HydrophobicContact CG2-CG 4.03Å; T1302-K1304 PolarHBondContact O-N 3.21Å | ||
| 1303 | I | 74.4 | Confident | 80.8 | Confident | 120 Ų | 120 | 62.4 Ų | 62.4 | 62% | 0.615 | 31% | 0.312 | S | S | * | . | trans | -78.8 | 81.1 | 175.7 | -49.8 | 178 | 0 | 0 | 0 | 108.9 | F1255 P1301 | F1255-I1303 HydrophobicContact CD1-CG1 4.31Å; F1255-I1303 HydrophobicContact CE1-CG1 4.28Å; P1301-I1303 PolarHBondContact O-N 3.34Å | ||
| 1304 | K | 70.9 | Confident | 80.7 | Confident | 158 Ų | 158 | 71.2 Ų | 71.2 | 69% | 0.687 | 35% | 0.35 | S | S | * | . | trans | -121.3 | 150.8 | 162.8 | -70.5 | -177.9 | 177.8 | -178.6 | 0 | 108.5 | S1256 T1302 Y1306 | S1256-K1304 WeakPolarHBondContact CB-O 3.42Å; S1256-K1304 PolarHBondContact OG-N 3.3Å; S1256-K1304 PolarHBondContact OG-O 3.28Å; T1302-K1304 VanDerWaalsContact C-N 3.27Å; T1302-K1304 HydrophobicContact CG2-CB 4.47Å; T1302-K1304 HydrophobicContact CG2-CD 4.12Å; T1302-K1304 HydrophobicContact CG2-CG 4.03Å; T1302-K1304 PolarHBondContact O-N 3.21Å; K1304-Y1306 PolarHBondContact O-N 2.76Å | ||
| 1305 | E | 66.2 | Low | 80.6 | Confident | 183 Ų | 183 | 75.6 Ų | 75.6 | 86% | 0.855 | 38% | 0.377 | S | S | * | . | trans | -63.9 | 135.8 | 166 | -71.8 | -157.8 | 105.4 | 0 | 0 | 109.8 | ||||
| 1306 | Y | 70.7 | Confident | 80.8 | Confident | 65 Ų | 65 | 76 Ų | 76 | 26% | 0.255 | 38% | 0.379 | S | S | . | . | trans | -84 | 134.9 | 174.7 | -156.8 | -99.4 | 0 | 0 | 0 | 108.4 | L1207 F1257 K1304 V1308 | L1207-Y1306 HydrophobicContact CD2-CE1 4.37Å; F1257-Y1306 HydrophobicContact CB-CD1 4.19Å; F1257-Y1306 HydrophobicContact CB-CD2 3.9Å; F1257-Y1306 HydrophobicContact CB-CE2 4.46Å; F1257-Y1306 HydrophobicContact CB-CG 3.74Å; F1257-Y1306 AromaticContact CD2-CD1 3.32Å; F1257-Y1306 HydrophobicContact CD2-CD1 3.32Å; F1257-Y1306 AromaticContact CD2-CE1 3.89Å; F1257-Y1306 HydrophobicContact CD2-CE1 3.89Å; F1257-Y1306 AromaticContact CD2-CG 3.71Å; F1257-Y1306 HydrophobicContact CD2-CG 3.71Å; F1257-Y1306 AromaticContact CE2-CD1 3.77Å; F1257-Y1306 HydrophobicContact CE2-CD1 3.77Å; F1257-Y1306 HydrophobicContact CE2-CE1 4.06Å; F1257-Y1306 AromaticContact CG-CD1 3.84Å; F1257-Y1306 HydrophobicContact CG-CD1 3.84Å; F1257-Y1306 HydrophobicContact CG-CD2 4.35Å; F1257-Y1306 HydrophobicContact CG-CE1 4.18Å; F1257-Y1306 AromaticContact CG-CG 3.93Å; F1257-Y1306 HydrophobicContact CG-CG 3.93Å; F1257-Y1306 HydrophobicContact CZ-CE1 4.49Å; K1304-Y1306 PolarHBondContact O-N 2.76Å; Y1306-V1308 PolarHBondContact O-N 3.5Å | ||
| 1307 | P | 70.2 | Confident | 81.2 | Confident | 115 Ų | 115 | 76.4 Ų | 76.4 | 75% | 0.747 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -70.2 | 8.8 | -166.1 | 27.7 | -37.1 | 0 | 0 | 0 | 115.8 | ||
| 1308 | V | 74.1 | Confident | 81.6 | Confident | 32 Ų | 32 | 75.1 Ų | 75.1 | 19% | 0.194 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -140.7 | 127.9 | 179.9 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | L1203 F1204 Y1306 | L1203-V1308 HydrophobicContact CD2-CB 4.2Å; L1203-V1308 HydrophobicContact CD2-CG1 4.19Å; L1203-V1308 HydrophobicContact CD2-CG2 3.69Å; F1204-V1308 HydrophobicContact CE1-CG1 4.45Å; F1204-V1308 HydrophobicContact CZ-CG1 3.96Å; Y1306-V1308 PolarHBondContact O-N 3.5Å |
| 1309 | D | 82.3 | Confident | 81.9 | Confident | 74 Ų | 74 | 80.4 Ų | 80.4 | 40% | 0.396 | 42% | 0.419 | S | S | . | . | trans | -75.2 | 138.2 | 175.7 | -173.4 | 48.8 | 0 | 0 | 0 | 112.6 | F1204 K1260 K1264 | F1204-D1309 WeakPolarHBondContact CZ-O 3.34Å; K1260-D1309 WeakPolarHBondContact CE-OD1 3.11Å; K1260-D1309 IonicContact NZ-OD1 3.05Å; K1260-D1309 PolarHBondContact NZ-OD1 2.93Å; K1264-D1309 IonicContact NZ-OD1 2.71Å; K1264-D1309 PolarHBondContact NZ-OD1 3.16Å; K1264-D1309 IonicContact NZ-OD2 3.95Å; K1264-D1309 PolarHBondContact NZ-OD2 3.41Å | ||
| 1310 | V | 86.7 | Confident | 82.4 | Confident | 3 Ų | 3 | 76.7 Ų | 76.7 | 2% | 0.018 | 40% | 0.403 | C | S | . | . | trans | -69.1 | 125 | -174.4 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | Y1210 F1257 K1260 I1261 K1264 L1312 | Y1210-V1310 HydrophobicContact CE2-CG1 4.3Å; F1257-V1310 HydrophobicContact CD2-CG2 3.86Å; F1257-V1310 HydrophobicContact CE2-CG2 3.66Å; F1257-V1310 HydrophobicContact CZ-CG2 4.4Å; K1260-V1310 HydrophobicContact CB-CG2 4.28Å; K1260-V1310 HydrophobicContact CD-CG2 4.45Å; K1260-V1310 HydrophobicContact CG-CG2 4.45Å; I1261-V1310 HydrophobicContact CG1-CB 4.44Å; I1261-V1310 HydrophobicContact CG1-CG1 3.68Å; I1261-V1310 HydrophobicContact CG1-CG2 3.84Å; K1264-V1310 HydrophobicContact CD-CB 4.12Å; K1264-V1310 HydrophobicContact CD-CG1 4.13Å; K1264-V1310 PolarHBondContact NZ-O 3Å; V1310-L1312 HydrophobicContact CG1-CD2 4.04Å | ||
| 1311 | K | 89.1 | Confident | 82.9 | Confident | 142 Ų | 142 | 73.9 Ų | 73.9 | 62% | 0.617 | 39% | 0.39 | S | S | * | . | trans | -122 | 94.6 | 176.9 | -63.2 | -175.7 | 179.5 | -178.6 | 0 | 111.1 | F1204 Y1210 | F1204-K1311 HydrophobicContact CE2-CB 3.88Å; F1204-K1311 HydrophobicContact CE2-CG 4.29Å; Y1210-K1311 PolarHBondContact OH-O 2.89Å | ||
| 1312 | L | 91.8 | Very high | 83.2 | Confident | 32 Ų | 32 | 78 Ų | 78 | 17% | 0.168 | 42% | 0.42 | C | S | . | . | trans | -54.7 | 146 | -175 | -62 | -176.2 | 0 | 0 | 0 | 112.8 | Y1210 K1264 I1265 A1268 V1310 K1314 F1317 | Y1210-L1312 WeakPolarHBondContact OH-CA 3.34Å; Y1210-L1312 PolarHBondContact OH-N 2.83Å; K1264-L1312 HydrophobicContact CB-CD1 4.03Å; K1264-L1312 HydrophobicContact CB-CD2 4.46Å; K1264-L1312 HydrophobicContact CB-CG 4.25Å; I1265-L1312 HydrophobicContact CB-CD1 4.46Å; I1265-L1312 HydrophobicContact CD1-CD2 4.32Å; I1265-L1312 HydrophobicContact CG1-CD1 3.77Å; I1265-L1312 HydrophobicContact CG1-CD2 3.71Å; I1265-L1312 HydrophobicContact CG1-CG 4.42Å; A1268-L1312 HydrophobicContact CB-CD1 4.09Å; V1310-L1312 HydrophobicContact CG1-CD2 4.04Å; L1312-K1314 PolarHBondContact O-N 3.29Å; L1312-F1317 HydrophobicContact CB-CB 4.13Å; L1312-F1317 HydrophobicContact CB-CD2 3.89Å; L1312-F1317 HydrophobicContact CB-CG 4.25Å; L1312-F1317 HydrophobicContact CD1-CB 4.14Å; L1312-F1317 HydrophobicContact CD1-CD2 4.34Å; L1312-F1317 HydrophobicContact CD1-CG 4.11Å | ||
| 1313 | P | 92.5 | Very high | 83.6 | Confident | 15 Ų | 15 | 81.9 Ų | 81.9 | 10% | 0.097 | 44% | 0.439 | C | S | . | . | trans | -58.5 | 110.2 | 174.2 | -24.7 | 34.1 | 0 | 0 | 0 | 112.1 | Y1210 Y1214 T1315 L1316 F1317 | Y1210-P1313 HydrophobicContact CE1-CG 4.42Å; Y1214-P1313 HydrophobicContact CE1-CG 4.1Å; Y1214-P1313 HydrophobicContact CE2-CG 4.2Å; P1313-T1315 PolarHBondContact O-N 3.36Å; P1313-T1315 VanDerWaalsContact O-N 3.1Å; P1313-L1316 HydrophobicContact CB-CB 4.42Å; P1313-L1316 HydrophobicContact CB-CD1 4.25Å; P1313-L1316 HydrophobicContact CB-CG 4.19Å; P1313-L1316 PolarHBondContact O-N 3.03Å; P1313-F1317 PolarHBondContact O-N 2.73Å | ||
| 1314 | K | 91.1 | Very high | 84 | Confident | 190 Ų | 190 | 79 Ų | 79 | 83% | 0.826 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.3 | 179.7 | -70 | -169 | 174.8 | -168.8 | 0 | 114.4 | L1312 L1316 | L1312-K1314 PolarHBondContact O-N 3.29Å; K1314-L1316 VanDerWaalsContact C-N 3.29Å |
| 1315 | T | 89.9 | Confident | 84.2 | Confident | 93 Ų | 93 | 79.4 Ų | 79.4 | 57% | 0.571 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -22.7 | 174.4 | 44.6 | 0 | 0 | 0 | 0 | 112.9 | I1118 A1271 P1313 | I1118-T1315 WeakPolarHBondContact CD1-O 3.38Å; A1271-T1315 WeakPolarHBondContact CB-O 3.35Å; P1313-T1315 PolarHBondContact O-N 3.36Å; P1313-T1315 VanDerWaalsContact O-N 3.1Å |
| 1316 | L | 93.9 | Very high | 85 | Confident | 14 Ų | 14 | 70.9 Ų | 70.9 | 7% | 0.073 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -27.8 | -177.3 | -53.9 | -176.7 | 0 | 0 | 0 | 112.2 | I1118 Y1214 Y1217 A1271 P1313 K1314 | I1118-L1316 HydrophobicContact CD1-CD2 4.16Å; I1118-L1316 HydrophobicContact CG1-CD2 4.2Å; I1118-L1316 HydrophobicContact CG2-CD2 3.9Å; Y1214-L1316 HydrophobicContact CD1-CD1 3.57Å; Y1214-L1316 HydrophobicContact CE1-CD1 3.85Å; Y1214-L1316 HydrophobicContact CG-CD1 4.47Å; Y1217-L1316 HydrophobicContact CD1-CB 4.47Å; Y1217-L1316 HydrophobicContact CD1-CD1 4.23Å; Y1217-L1316 HydrophobicContact CD1-CD2 3.88Å; Y1217-L1316 HydrophobicContact CD1-CG 4.41Å; Y1217-L1316 HydrophobicContact CD2-CB 3.78Å; Y1217-L1316 HydrophobicContact CE1-CD2 3.72Å; Y1217-L1316 HydrophobicContact CE2-CB 3.82Å; Y1217-L1316 HydrophobicContact CE2-CD2 4.5Å; Y1217-L1316 WeakPolarHBondContact CE2-O 3.15Å; Y1217-L1316 HydrophobicContact CG-CB 4.13Å; Y1217-L1316 HydrophobicContact CG-CD1 4.1Å; Y1217-L1316 HydrophobicContact CG-CD2 4.37Å; Y1217-L1316 HydrophobicContact CG-CG 4.42Å; A1271-L1316 WeakPolarHBondContact CB-O 3.06Å; A1271-L1316 PolarHBondContact N-O 3.14Å; A1271-L1316 VanDerWaalsContact N-O 3.09Å; P1313-L1316 HydrophobicContact CB-CB 4.42Å; P1313-L1316 HydrophobicContact CB-CD1 4.25Å; P1313-L1316 HydrophobicContact CB-CG 4.19Å; P1313-L1316 PolarHBondContact O-N 3.03Å; K1314-L1316 VanDerWaalsContact C-N 3.29Å |
| 1317 | F | 95.9 | Very high | 85.5 | Confident | 11 Ų | 11 | 71.3 Ų | 71.3 | 5% | 0.048 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 121.5 | -171.4 | -57 | -71.4 | 0 | 0 | 0 | 112.2 | P1213 Y1217 I1265 A1268 R1269 L1283 L1312 P1313 | P1213-F1317 HydrophobicContact CB-CE2 3.8Å; P1213-F1317 HydrophobicContact CB-CZ 4.19Å; Y1217-F1317 AromaticContact CD2-CE1 3.85Å; Y1217-F1317 HydrophobicContact CD2-CE1 3.85Å; Y1217-F1317 AromaticContact CD2-CZ 3.91Å; Y1217-F1317 HydrophobicContact CD2-CZ 3.91Å; Y1217-F1317 HydrophobicContact CG-CZ 4.44Å; I1265-F1317 HydrophobicContact CB-CE1 4.46Å; I1265-F1317 HydrophobicContact CD1-CZ 4.16Å; I1265-F1317 HydrophobicContact CG1-CE1 4.12Å; I1265-F1317 HydrophobicContact CG1-CZ 4.14Å; I1265-F1317 HydrophobicContact CG2-CD1 4.09Å; I1265-F1317 HydrophobicContact CG2-CE1 3.57Å; I1265-F1317 HydrophobicContact CG2-CZ 4.26Å; A1268-F1317 HydrophobicContact CB-CB 4.04Å; A1268-F1317 HydrophobicContact CB-CD1 4.22Å; A1268-F1317 HydrophobicContact CB-CG 4.5Å; R1269-F1317 WeakPolarHBondContact O-CA 3.42Å; L1283-F1317 HydrophobicContact CD1-CE1 4.07Å; L1283-F1317 HydrophobicContact CD2-CD1 4.32Å; L1283-F1317 HydrophobicContact CD2-CE1 4.13Å; L1312-F1317 HydrophobicContact CB-CB 4.13Å; L1312-F1317 HydrophobicContact CB-CD2 3.89Å; L1312-F1317 HydrophobicContact CB-CG 4.25Å; L1312-F1317 HydrophobicContact CD1-CB 4.14Å; L1312-F1317 HydrophobicContact CD1-CD2 4.34Å; L1312-F1317 HydrophobicContact CD1-CG 4.11Å; P1313-F1317 PolarHBondContact O-N 2.73Å |
| 1318 | T | 94.1 | Very high | 86.1 | Confident | 51 Ų | 51 | 69.2 Ų | 69.2 | 31% | 0.313 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 165.8 | 166.1 | 54.3 | 0 | 0 | 0 | 0 | 110.2 | A1268 R1269 D1270 A1271 | A1268-T1318 CarbonylContact C-O 3.57Å; A1268-T1318 WeakPolarHBondContact CA-O 3.21Å; A1268-T1318 VanDerWaalsContact CB-O 3.25Å; A1268-T1318 WeakPolarHBondContact CB-O 3.22Å; R1269-T1318 WeakPolarHBondContact CB-OG1 3.41Å; R1269-T1318 PolarHBondContact N-O 2.89Å; R1269-T1318 PolarHBondContact O-N 3.37Å; R1269-T1318 PolarHBondContact O-OG1 2.95Å; D1270-T1318 PolarHBondContact O-OG1 3.16Å; A1271-T1318 HydrophobicContact CB-CG2 3.95Å |
| 1319 | S | 88.7 | Confident | 86.7 | Confident | 113 Ų | 113 | 68 Ų | 68 | 79% | 0.79 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 136.5 | 175.3 | -58.7 | 0 | 0 | 0 | 0 | 110 | ||
| 1320 | A | 85.5 | Confident | 86.9 | Confident | 20 Ų | 20 | 70.1 Ų | 70.1 | 17% | 0.165 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 157.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y1267 R1269 F1324 | Y1267-A1320 VanDerWaalsContact O-CB 3.27Å; Y1267-A1320 WeakPolarHBondContact O-CB 3.33Å; Y1267-A1320 PolarHBondContact O-N 3.34Å; R1269-A1320 HydrophobicContact CG-CB 4.23Å; A1320-F1324 HydrophobicContact CB-CB 4.09Å; A1320-F1324 HydrophobicContact CB-CD1 3.64Å; A1320-F1324 HydrophobicContact CB-CE1 4.46Å; A1320-F1324 HydrophobicContact CB-CG 4.15Å |
| 1321 | P | 83.9 | Confident | 87 | Confident | 52 Ų | 52 | 71.1 Ų | 71.1 | 34% | 0.338 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 148.9 | 170 | -28 | 36.9 | 0 | 0 | 0 | 112.9 | D1323 F1324 | P1321-D1323 VanDerWaalsContact C-N 3.27Å; P1321-D1323 WeakPolarHBondContact CB-OD1 3.38Å; P1321-D1323 PolarHBondContact O-N 3.44Å; P1321-F1324 HydrophobicContact CB-CB 4.49Å; P1321-F1324 VanDerWaalsContact O-CB 3.23Å; P1321-F1324 WeakPolarHBondContact O-CB 3.21Å; P1321-F1324 PolarHBondContact O-N 2.71Å |
| 1322 | S | 80.5 | Confident | 86.9 | Confident | 109 Ų | 109 | 64.3 Ų | 64.3 | 76% | 0.762 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -29.6 | -172.4 | 41.9 | 0 | 0 | 0 | 0 | 114.5 | R1325 | S1322-R1325 PolarHBondContact O-NH1 2.84Š|
| 1323 | D | 82.9 | Confident | 86.5 | Confident | 128 Ų | 128 | 64.7 Ų | 64.7 | 68% | 0.684 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -22.1 | 173.3 | 57.2 | -59.2 | 0 | 0 | 0 | 113.1 | P1321 R1325 | P1321-D1323 VanDerWaalsContact C-N 3.27Å; P1321-D1323 WeakPolarHBondContact CB-OD1 3.38Å; P1321-D1323 PolarHBondContact O-N 3.44Å; D1323-R1325 PolarHBondContact O-N 2.57Å |
| 1324 | F | 83.6 | Confident | 85.3 | Confident | 58 Ų | 58 | 68 Ų | 68 | 25% | 0.254 | 36% | 0.364 | S | S | . | . | trans | -66.4 | 131.3 | -176.7 | -173.8 | -108.9 | 0 | 0 | 0 | 112.2 | Y1284 A1320 P1321 N1326 | Y1284-F1324 HydrophobicContact CD2-CZ 4.38Å; Y1284-F1324 AromaticContact CE2-CE1 3.93Å; Y1284-F1324 HydrophobicContact CE2-CE1 3.93Å; Y1284-F1324 AromaticContact CE2-CZ 3.55Å; Y1284-F1324 HydrophobicContact CE2-CZ 3.55Å; Y1284-F1324 AromaticContact CZ-CE1 3.75Å; Y1284-F1324 AromaticContact CZ-CZ 3.87Å; Y1284-F1324 WeakPolarHBondContact OH-CE1 3.44Å; A1320-F1324 HydrophobicContact CB-CB 4.09Å; A1320-F1324 HydrophobicContact CB-CD1 3.64Å; A1320-F1324 HydrophobicContact CB-CE1 4.46Å; A1320-F1324 HydrophobicContact CB-CG 4.15Å; P1321-F1324 HydrophobicContact CB-CB 4.49Å; P1321-F1324 VanDerWaalsContact O-CB 3.23Å; P1321-F1324 WeakPolarHBondContact O-CB 3.21Å; P1321-F1324 PolarHBondContact O-N 2.71Å; F1324-N1326 HydrophobicContact CE1-CB 3.82Å; F1324-N1326 HydrophobicContact CZ-CB 3.85Å | ||
| 1325 | R | 74.7 | Confident | 83.9 | Confident | 167 Ų | 167 | 63.6 Ų | 63.6 | 63% | 0.63 | 35% | 0.349 | S | S | * | . | trans | -138.2 | 115.5 | 174.5 | -70.3 | -64.4 | -178.2 | -80.9 | -1.6 | 110 | S1322 D1323 P1327 | S1322-R1325 PolarHBondContact O-NH1 2.84Å; D1323-R1325 PolarHBondContact O-N 2.57Å; R1325-P1327 WeakPolarHBondContact O-CD 3.19Å | ||
| 1326 | N | 83.8 | Confident | 81.9 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | trans | -108.6 | 102.4 | 172.5 | -171 | 28.1 | 0 | 0 | 0 | 111.1 | K1266 Y1284 F1324 Q1331 | K1266-N1326 WeakPolarHBondContact CE-ND2 3.33Å; Y1284-N1326 VanDerWaalsContact CB-ND2 3.27Å; Y1284-N1326 WeakPolarHBondContact CB-ND2 3.28Å; Y1284-N1326 VanDerWaalsContact CG-ND2 3.26Å; F1324-N1326 HydrophobicContact CE1-CB 3.82Å; F1324-N1326 HydrophobicContact CZ-CB 3.85Å; N1326-Q1331 PolarHBondContact ND2-OE1 3.3Å; N1326-Q1331 VanDerWaalsContact ND2-OE1 3.08Å; N1326-Q1331 PolarHBondContact OD1-NE2 2.95Å; N1326-Q1331 PolarHBondContact OD1-OE1 3.48Å | ||
| 1327 | P | 80.5 | Confident | 79.1 | Confident | 74 Ų | 74 | 66.4 Ų | 66.4 | 48% | 0.481 | 38% | 0.382 | S | S | . | . | trans | -68.8 | 164.4 | -177.9 | 25.9 | -30.2 | 0 | 0 | 0 | 112.8 | K1266 R1325 K1330 | K1266-P1327 PolarHBondContact NZ-O 3.19Å; R1325-P1327 WeakPolarHBondContact O-CD 3.19Å; P1327-K1330 HydrophobicContact CG-CB 4.17Å; P1327-K1330 HydrophobicContact CG-CD 4.14Å | ||
| 1328 | D | 82.5 | Confident | 76.2 | Confident | 72 Ų | 72 | 74.4 Ų | 74.4 | 39% | 0.385 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 134 | -175.5 | -75.5 | -25 | 0 | 0 | 0 | 114.1 | K1266 L1291 K1330 | K1266-D1328 VanDerWaalsContact NZ-CA 3.34Å; K1266-D1328 IonicContact NZ-OD1 2.8Å; K1266-D1328 PolarHBondContact NZ-OD1 3.07Å; L1291-D1328 HydrophobicContact CD2-CB 4Å; L1291-D1328 VanDerWaalsContact CD2-CG 3.44Å; D1328-K1330 PolarHBondContact O-N 3.41Å |
| 1329 | F | 87.2 | Confident | 73.1 | Confident | 6 Ų | 6 | 77.2 Ų | 77.2 | 3% | 0.026 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 9.6 | -177 | -50.1 | -71.1 | 0 | 0 | 0 | 116.6 | D1288 L1291 L1295 Q1331 L1332 I1333 P1381 L1384 | D1288-F1329 HydrophobicContact CB-CD1 4.23Å; D1288-F1329 VanDerWaalsContact CG-CA 3.4Å; D1288-F1329 WeakPolarHBondContact O-CE1 3.48Å; D1288-F1329 PolarHBondContact OD1-N 3.16Å; D1288-F1329 WeakPolarHBondContact OD2-CA 3.06Å; D1288-F1329 PolarHBondContact OD2-N 3.23Å; L1291-F1329 HydrophobicContact CB-CE1 4.28Å; L1291-F1329 HydrophobicContact CB-CZ 4.3Å; L1291-F1329 HydrophobicContact CD2-CE1 4.36Å; L1291-F1329 HydrophobicContact CD2-CE2 4.15Å; L1291-F1329 HydrophobicContact CD2-CZ 3.85Å; L1291-F1329 HydrophobicContact CG-CE1 4.36Å; L1291-F1329 HydrophobicContact CG-CZ 3.88Å; L1295-F1329 HydrophobicContact CD1-CZ 4.18Å; F1329-Q1331 VanDerWaalsContact C-N 3.26Å; F1329-Q1331 PolarHBondContact O-N 3.14Å; F1329-L1332 HydrophobicContact CD1-CD1 4.37Å; F1329-L1332 PolarHBondContact O-N 2.91Å; F1329-I1333 HydrophobicContact CB-CD1 3.94Å; F1329-I1333 HydrophobicContact CB-CG1 4.41Å; F1329-I1333 WeakPolarHBondContact O-CG1 3.06Å; F1329-I1333 PolarHBondContact O-N 3.11Å; F1329-P1381 VanDerWaalsContact CD2-CD 3.5Å; F1329-P1381 HydrophobicContact CD2-CG 3.98Å; F1329-L1384 HydrophobicContact CB-CD1 3.57Å; F1329-L1384 HydrophobicContact CD1-CD1 3.82Å; F1329-L1384 HydrophobicContact CD2-CD1 4.26Å; F1329-L1384 HydrophobicContact CG-CD1 3.61Å |
| 1330 | K | 87.1 | Confident | 70.2 | Confident | 118 Ų | 118 | 81.3 Ų | 81.3 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -52.1 | -44.5 | -179.1 | -173 | -179.7 | 176.7 | -176.4 | 0 | 112 | D1288 P1327 D1328 L1332 | D1288-K1330 PolarHBondContact OD2-N 3.23Å; P1327-K1330 HydrophobicContact CG-CB 4.17Å; P1327-K1330 HydrophobicContact CG-CD 4.14Å; D1328-K1330 PolarHBondContact O-N 3.41Å; K1330-L1332 VanDerWaalsContact C-N 3.32Å; K1330-L1332 PolarHBondContact O-N 3.3Å |
| 1331 | Q | 87.4 | Confident | 67.7 | Low | 24 Ų | 24 | 85.2 Ų | 85.2 | 11% | 0.112 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -81.4 | -5.5 | -175.8 | -69.9 | 77.8 | 31.6 | 0 | 0 | 114.1 | T1285 D1288 N1326 F1329 L1363 | T1285-Q1331 HydrophobicContact CG2-CB 4.36Å; T1285-Q1331 WeakPolarHBondContact OG1-CB 3.46Å; D1288-Q1331 PolarHBondContact OD2-N 3.21Å; D1288-Q1331 PolarHBondContact OD2-OE1 2.77Å; N1326-Q1331 PolarHBondContact ND2-OE1 3.3Å; N1326-Q1331 VanDerWaalsContact ND2-OE1 3.08Å; N1326-Q1331 PolarHBondContact OD1-NE2 2.95Å; N1326-Q1331 PolarHBondContact OD1-OE1 3.48Å; F1329-Q1331 VanDerWaalsContact C-N 3.26Å; F1329-Q1331 PolarHBondContact O-N 3.14Å; Q1331-L1363 WeakPolarHBondContact O-CD1 3.23Å |
| 1332 | L | 86.9 | Confident | 65.1 | Low | 0 Ų | 0 | 91.2 Ų | 91.2 | 0% | 0 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -102.5 | -6.7 | 175.9 | -65.7 | -175.4 | 0 | 0 | 0 | 114.1 | T1285 D1288 I1289 F1329 K1330 L1363 L1364 F1366 L1384 | T1285-L1332 HydrophobicContact CG2-CD2 3.81Å; D1288-L1332 HydrophobicContact CB-CD1 3.8Å; D1288-L1332 HydrophobicContact CB-CG 3.88Å; I1289-L1332 HydrophobicContact CD1-CD2 4.44Å; I1289-L1332 HydrophobicContact CG1-CD1 3.97Å; I1289-L1332 HydrophobicContact CG1-CD2 3.96Å; F1329-L1332 HydrophobicContact CD1-CD1 4.37Å; F1329-L1332 PolarHBondContact O-N 2.91Å; K1330-L1332 VanDerWaalsContact C-N 3.32Å; K1330-L1332 PolarHBondContact O-N 3.3Å; L1332-L1363 PolarHBondContact O-N 2.96Å; L1332-L1364 HydrophobicContact CD2-CB 4.41Å; L1332-F1366 HydrophobicContact CD1-CE2 4Å; L1332-F1366 HydrophobicContact CD1-CZ 3.81Å; L1332-L1384 HydrophobicContact CB-CD2 3.95Å |
| 1333 | I | 83.1 | Confident | 62.7 | Low | 39 Ų | 39 | 92.7 Ų | 92.7 | 20% | 0.2 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 109.2 | -175.7 | -66 | 173.8 | 0 | 0 | 0 | 107.2 | F1329 I1335 V1360 P1381 L1384 | F1329-I1333 HydrophobicContact CB-CD1 3.94Å; F1329-I1333 HydrophobicContact CB-CG1 4.41Å; F1329-I1333 WeakPolarHBondContact O-CG1 3.06Å; F1329-I1333 PolarHBondContact O-N 3.11Å; I1333-I1335 VanDerWaalsContact C-N 3.31Å; I1333-I1335 HydrophobicContact CG2-CG1 4.04Å; I1333-I1335 PolarHBondContact O-N 3.42Å; I1333-V1360 HydrophobicContact CG2-CG1 3.37Å; I1333-P1381 HydrophobicContact CD1-CB 4.36Å; I1333-P1381 HydrophobicContact CD1-CG 4.22Å; I1333-L1384 HydrophobicContact CD1-CD1 4.18Å; I1333-L1384 HydrophobicContact CG1-CD1 4.17Å; I1333-L1384 HydrophobicContact CG1-CD2 4.2Å; I1333-L1384 HydrophobicContact CG1-CG 4.32Å |
| 1334 | N | 68.9 | Low | 60.2 | Low | 84 Ų | 84 | 90.6 Ų | 90.6 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 81.9 | -174.4 | -151.8 | 1.6 | 0 | 0 | 0 | 110.3 | G1336 Q1361 L1363 | N1334-G1336 PolarHBondContact O-N 3.49Å; N1334-Q1361 WeakPolarHBondContact CB-O 3.34Å; N1334-Q1361 PolarHBondContact N-O 3.1Å; N1334-Q1361 VanDerWaalsContact N-O 3.13Å; N1334-L1363 HydrophobicContact CB-CD2 4.22Å; N1334-L1363 HydrophobicContact CB-CG 4.4Å |
| 1335 | I | 60 | Low | 57.6 | Low | 99 Ų | 99 | 95.1 Ų | 95.1 | 51% | 0.508 | 55% | 0.549 | S | S | . | . | trans | -70.5 | 116.8 | 171.4 | -55.3 | 176.4 | 0 | 0 | 0 | 106.8 | I1333 S1337 | I1333-I1335 VanDerWaalsContact C-N 3.31Å; I1333-I1335 HydrophobicContact CG2-CG1 4.04Å; I1333-I1335 PolarHBondContact O-N 3.42Å; I1335-S1337 PolarHBondContact O-N 3.04Å | ||
| 1336 | G | 48.4 | Very low | 55.4 | Low | 54 Ų | 54 | 90.7 Ų | 90.7 | 56% | 0.557 | 56% | 0.556 | S | S | * | * | trans | -58.1 | 132.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | N1334 E1338 | N1334-G1336 PolarHBondContact O-N 3.49Å; G1336-E1338 PolarHBondContact O-N 3.05Å; G1336-E1338 VanDerWaalsContact O-N 3.09Å | ||
| 1337 | S | 34.9 | Very low | 53 | Low | 111 Ų | 111 | 98 Ų | 98 | 78% | 0.776 | 59% | 0.593 | S | S | * | * | trans | -44.1 | 111.3 | -170.8 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | I1335 S1339 | I1335-S1337 PolarHBondContact O-N 3.04Å; S1337-S1339 PolarHBondContact O-N 3Å | ||
| 1338 | E | 35.6 | Very low | 50.8 | Low | 180 Ų | 180 | 101.2 Ų | 101.2 | 84% | 0.841 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 118.2 | 169.9 | -66.8 | -178.5 | 142.1 | 0 | 0 | 108.3 | G1336 | G1336-E1338 PolarHBondContact O-N 3.05Å; G1336-E1338 VanDerWaalsContact O-N 3.09Å |
| 1339 | S | 29.3 | Very low | 48.3 | Very low | 110 Ų | 110 | 104.6 Ų | 104.6 | 77% | 0.769 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 154.8 | 174.4 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | S1337 | S1337-S1339 PolarHBondContact O-N 3Š|
| 1340 | E | 28.1 | Very low | 45.6 | Very low | 198 Ų | 198 | 109.5 Ų | 109.5 | 93% | 0.925 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 136.5 | -172.7 | -59.2 | 165.4 | 130.7 | 0 | 0 | 112.7 | ||
| 1341 | A | 31.8 | Very low | 43.2 | Very low | 102 Ų | 102 | 110.1 Ų | 110.1 | 84% | 0.843 | 67% | 0.674 | S | S | * | * | trans | -131.9 | 86 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1342 | Q | 30 | Very low | 40.4 | Very low | 179 Ų | 179 | 114.7 Ų | 114.7 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | trans | -82.5 | 135.9 | 166.4 | -74 | -171.7 | -10 | 0 | 0 | 110.8 | ||||
| 1343 | T | 29.6 | Very low | 37.9 | Very low | 140 Ų | 140 | 123.3 Ų | 123.3 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | trans | 49.8 | 108.8 | 151.6 | 57.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1344 | G | 30 | Very low | 35.3 | Very low | 83 Ų | 83 | 130 Ų | 130 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -173.7 | 125.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1345 | T | 30.9 | Very low | 33.7 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | trans | -104.4 | 136.7 | -176.2 | 45.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1346 | G | 28.4 | Very low | 32.5 | Very low | 75 Ų | 75 | 134.1 Ų | 134.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 172.4 | 86.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1347 | I | 31.8 | Very low | 31.9 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | trans | 24.4 | 109.7 | 144 | -53 | 178.5 | 0 | 0 | 0 | 120.3 | ||||
| 1348 | I | 35.9 | Very low | 32.3 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 73% | 0.728 | 82% | 0.819 | S | S | * | * | trans | 33.5 | 111.8 | 130.4 | -49 | 168.5 | 0 | 0 | 0 | 119.5 | ||||
| 1349 | N | 29.3 | Very low | 33.1 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | 178.9 | 131.5 | 109.7 | -113.1 | -32.5 | 0 | 0 | 0 | 116.7 | |||||
| 1350 | S | 29.5 | Very low | 34.9 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | 56.4 | 156.5 | 151.2 | 54.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1351 | P | 37.8 | Very low | 36.9 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -99.3 | 156.4 | -163.2 | 38.2 | -35.7 | 0 | 0 | 0 | 116 | ||||
| 1352 | S | 27.6 | Very low | 39.4 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | -147 | 150.6 | 161.5 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1353 | E | 34.8 | Very low | 42 | Very low | 181 Ų | 181 | 127.4 Ų | 127.4 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | -74.6 | 138.2 | -179.8 | -58.9 | 177 | 113.6 | 0 | 0 | 112.5 | ||||
| 1354 | M | 29.7 | Very low | 44.7 | Very low | 178 Ų | 178 | 120.9 Ų | 120.9 | 88% | 0.877 | 69% | 0.686 | S | S | * | * | trans | -145.7 | 157.7 | 166.3 | -92.2 | -70.5 | 98.7 | 0 | 0 | 110.8 | ||||
| 1355 | P | 34.4 | Very low | 47.3 | Very low | 97 Ų | 97 | 119.8 Ų | 119.8 | 63% | 0.63 | 66% | 0.658 | S | S | * | * | trans | -103.2 | 169.3 | -138.1 | 38.4 | -40.4 | 0 | 0 | 0 | 117.2 | K1357 | P1355-K1357 PolarHBondContact O-N 2.76Š| ||
| 1356 | I | 35.7 | Very low | 50 | Low | 173 Ų | 173 | 112.6 Ų | 112.6 | 89% | 0.887 | 61% | 0.614 | S | S | * | * | trans | -59.5 | 89.4 | 178.6 | -52 | 167.5 | 0 | 0 | 0 | 112.2 | ||||
| 1357 | K | 35.2 | Very low | 52.6 | Low | 185 Ų | 185 | 111.9 Ų | 111.9 | 80% | 0.804 | 60% | 0.595 | S | S | * | * | trans | -142 | 65.4 | 168.5 | -78.9 | -167.1 | 179.4 | 175.5 | 0 | 113.7 | P1355 | P1355-K1357 PolarHBondContact O-N 2.76Š| ||
| 1358 | N | 42.8 | Very low | 54.5 | Low | 141 Ų | 141 | 105.3 Ų | 105.3 | 75% | 0.754 | 56% | 0.563 | S | S | * | * | trans | -162 | 117.7 | 136.6 | -101.5 | -24.9 | 0 | 0 | 0 | 109.3 | V1360 | N1358-V1360 VanDerWaalsContact C-N 3.3Å; N1358-V1360 PolarHBondContact O-N 3.2Å; N1358-V1360 VanDerWaalsContact O-N 3.08Å | ||
| 1359 | K | 52.9 | Low | 56.2 | Low | 210 Ų | 210 | 101.7 Ų | 101.7 | 91% | 0.913 | 55% | 0.545 | S | S | * | . | trans | -89.1 | 75.8 | -179 | -148 | 173.3 | -166.9 | 174.2 | 0 | 108.8 | Q1361 | K1359-Q1361 PolarHBondContact O-N 3.05Š| ||
| 1360 | V | 66 | Low | 57.7 | Low | 59 Ų | 59 | 102.7 Ų | 102.7 | 36% | 0.358 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -47.3 | 120.5 | -171.9 | -167.3 | 0 | 0 | 0 | 0 | 110.2 | I1333 N1358 | I1333-V1360 HydrophobicContact CG2-CG1 3.37Å; N1358-V1360 VanDerWaalsContact C-N 3.3Å; N1358-V1360 PolarHBondContact O-N 3.2Å; N1358-V1360 VanDerWaalsContact O-N 3.08Å |
| 1361 | Q | 71.9 | Confident | 58.9 | Low | 144 Ų | 144 | 104.2 Ų | 104.2 | 67% | 0.673 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 120.9 | -165.1 | -150.9 | 170.3 | 21.2 | 0 | 0 | 110.2 | N1334 K1359 L1363 | N1334-Q1361 WeakPolarHBondContact CB-O 3.34Å; N1334-Q1361 PolarHBondContact N-O 3.1Å; N1334-Q1361 VanDerWaalsContact N-O 3.13Å; K1359-Q1361 PolarHBondContact O-N 3.05Å; Q1361-L1363 PolarHBondContact O-N 3.35Å |
| 1362 | P | 82.6 | Confident | 60 | Low | 32 Ų | 32 | 98.1 Ų | 98.1 | 21% | 0.208 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 128.7 | 179.5 | 30.9 | -36.9 | 0 | 0 | 0 | 110.1 | L1364 Q1365 E1383 L1384 | P1362-L1364 PolarHBondContact O-N 3.23Å; P1362-Q1365 HydrophobicContact CB-CG 4.22Å; P1362-Q1365 HydrophobicContact CG-CG 3.83Å; P1362-E1383 WeakPolarHBondContact CG-O 3.48Å; P1362-L1384 HydrophobicContact CB-CD2 3.79Å |
| 1363 | L | 85.7 | Confident | 61.7 | Low | 23 Ų | 23 | 98 Ų | 98 | 12% | 0.12 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -63.9 | -31.9 | 172.6 | -64.7 | 178.3 | 0 | 0 | 0 | 111.3 | D1229 L1234 Q1331 L1332 N1334 Q1361 | D1229-L1363 HydrophobicContact CB-CD2 4.03Å; L1234-L1363 HydrophobicContact CD1-CB 3.86Å; L1234-L1363 HydrophobicContact CD1-CD1 4.3Å; Q1331-L1363 WeakPolarHBondContact O-CD1 3.23Å; L1332-L1363 PolarHBondContact O-N 2.96Å; N1334-L1363 HydrophobicContact CB-CD2 4.22Å; N1334-L1363 HydrophobicContact CB-CG 4.4Å; Q1361-L1363 PolarHBondContact O-N 3.35Å |
| 1364 | L | 86.1 | Confident | 63.1 | Low | 3 Ų | 3 | 89.5 Ų | 89.5 | 2% | 0.016 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -148.9 | 132.2 | -176.7 | -170.6 | 143 | 0 | 0 | 0 | 111.8 | L1234 K1238 I1289 L1332 P1362 F1366 L1384 | L1234-L1364 HydrophobicContact CB-CD1 3.65Å; L1234-L1364 WeakPolarHBondContact O-CD1 3.35Å; K1238-L1364 HydrophobicContact CB-CD1 4.14Å; K1238-L1364 HydrophobicContact CD-CD1 4.13Å; K1238-L1364 HydrophobicContact CD-CD2 3.96Å; K1238-L1364 HydrophobicContact CD-CG 4.39Å; K1238-L1364 HydrophobicContact CG-CD2 4.34Å; I1289-L1364 HydrophobicContact CD1-CD1 4.37Å; L1332-L1364 HydrophobicContact CD2-CB 4.41Å; P1362-L1364 PolarHBondContact O-N 3.23Å; L1364-F1366 HydrophobicContact CD2-CD1 4.3Å; L1364-F1366 HydrophobicContact CD2-CE1 3.72Å; L1364-F1366 HydrophobicContact CD2-CE2 4.05Å; L1364-F1366 HydrophobicContact CD2-CZ 3.56Å; L1364-L1384 WeakPolarHBondContact O-CD2 3.47Å |
| 1365 | Q | 85.2 | Confident | 64.7 | Low | 59 Ų | 59 | 84.8 Ų | 84.8 | 28% | 0.276 | 42% | 0.417 | S | S | . | . | trans | -108.2 | 139 | 179.7 | -66.1 | -173.9 | -39.7 | 0 | 0 | 113.2 | K1238 P1362 E1383 L1384 K1386 | K1238-Q1365 PolarHBondContact NZ-O 3.46Å; P1362-Q1365 HydrophobicContact CB-CG 4.22Å; P1362-Q1365 HydrophobicContact CG-CG 3.83Å; Q1365-E1383 PolarHBondContact NE2-O 3.48Å; Q1365-L1384 CarbonylContact C-O 3.4Å; Q1365-L1384 VanDerWaalsContact CA-O 3.27Å; Q1365-L1384 WeakPolarHBondContact CA-O 3.37Å; Q1365-K1386 HydrophobicContact CB-CB 4.03Å | ||
| 1366 | F | 86.6 | Confident | 66.2 | Low | 2 Ų | 2 | 88.5 Ų | 88.5 | 1% | 0.009 | 42% | 0.423 | C | S | . | . | B | Isolated β-bridge | trans | -93.7 | 159.8 | 174.6 | -54.4 | -85.5 | 0 | 0 | 0 | 110.9 | I1289 G1292 L1293 L1332 L1364 L1384 K1386 | I1289-F1366 HydrophobicContact CG2-CE1 4.41Å; G1292-F1366 VanDerWaalsContact C-CD1 3.47Å; L1293-F1366 HydrophobicContact CD2-CD1 4.4Å; L1293-F1366 HydrophobicContact CG-CD1 4.47Å; L1293-F1366 HydrophobicContact CG-CE1 4.27Å; L1332-F1366 HydrophobicContact CD1-CE2 4Å; L1332-F1366 HydrophobicContact CD1-CZ 3.81Å; L1364-F1366 HydrophobicContact CD2-CD1 4.3Å; L1364-F1366 HydrophobicContact CD2-CE1 3.72Å; L1364-F1366 HydrophobicContact CD2-CE2 4.05Å; L1364-F1366 HydrophobicContact CD2-CZ 3.56Å; F1366-L1384 HydrophobicContact CD2-CB 4.15Å; F1366-L1384 HydrophobicContact CE2-CB 4.41Å; F1366-L1384 PolarHBondContact N-O 3.26Å; F1366-K1386 VanDerWaalsContact O-CB 3.28Å; F1366-K1386 WeakPolarHBondContact O-CB 3.35Å; F1366-K1386 PolarHBondContact O-N 3.14Å |
| 1367 | T | 82.6 | Confident | 68 | Low | 61 Ų | 61 | 84.4 Ų | 84.4 | 37% | 0.374 | 40% | 0.4 | S | S | . | . | trans | -123.2 | 103.3 | 177.7 | -46.6 | 0 | 0 | 0 | 0 | 107.8 | R1297 | R1297-T1367 PolarHBondContact NE-O 2.97Š| ||
| 1368 | P | 72.8 | Confident | 69.7 | Low | 19 Ų | 19 | 78.3 Ų | 78.3 | 12% | 0.123 | 39% | 0.391 | C | S | . | . | trans | -69.8 | 144.5 | -173.5 | 28.9 | -35.6 | 0 | 0 | 0 | 111.3 | S1296 F1375 V1385 | S1296-P1368 WeakPolarHBondContact O-CA 3.48Å; P1368-F1375 HydrophobicContact CB-CB 4.29Å; P1368-F1375 HydrophobicContact CB-CD1 3.96Å; P1368-F1375 HydrophobicContact CB-CD2 3.66Å; P1368-F1375 HydrophobicContact CB-CE1 4.25Å; P1368-F1375 HydrophobicContact CB-CE2 3.98Å; P1368-F1375 HydrophobicContact CB-CG 3.67Å; P1368-F1375 HydrophobicContact CB-CZ 4.27Å; P1368-F1375 HydrophobicContact CG-CD1 4.23Å; P1368-F1375 HydrophobicContact CG-CD2 3.99Å; P1368-F1375 HydrophobicContact CG-CE1 4Å; P1368-F1375 HydrophobicContact CG-CE2 3.75Å; P1368-F1375 HydrophobicContact CG-CG 4.24Å; P1368-F1375 HydrophobicContact CG-CZ 3.76Å; P1368-V1385 HydrophobicContact CG-CG1 3.91Å | ||
| 1369 | N | 70.4 | Confident | 71.4 | Confident | 66 Ų | 66 | 75.1 Ų | 75.1 | 35% | 0.353 | 37% | 0.373 | S | S | . | . | trans | -72.2 | 154.7 | 172.6 | -152.1 | -12.9 | 0 | 0 | 0 | 110.4 | S1296 H1371 T1372 | S1296-N1369 PolarHBondContact O-N 3.42Å; N1369-H1371 PolarHBondContact O-N 3Å; N1369-H1371 VanDerWaalsContact O-N 3.08Å; N1369-T1372 WeakPolarHBondContact CB-OG1 3.26Å; N1369-T1372 PolarHBondContact N-OG1 3.32Å; N1369-T1372 PolarHBondContact O-OG1 2.87Å | ||
| 1370 | K | 62.5 | Low | 72.6 | Confident | 163 Ų | 163 | 65.6 Ų | 65.6 | 71% | 0.709 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -20.4 | -173.4 | -88 | -170.7 | 176.8 | -175.5 | 0 | 114.2 | ||
| 1371 | H | 53.9 | Low | 73.4 | Confident | 141 Ų | 141 | 64.5 Ų | 64.5 | 65% | 0.653 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.9 | 3 | -167.9 | -57.3 | -85.7 | 0 | 0 | 0 | 114.1 | N1369 K1373 | N1369-H1371 PolarHBondContact O-N 3Å; N1369-H1371 VanDerWaalsContact O-N 3.08Å; H1371-K1373 PolarHBondContact O-N 2.94Å; H1371-K1373 VanDerWaalsContact O-N 3.12Å |
| 1372 | T | 61.3 | Low | 73.7 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | trans | -64.2 | 111.8 | -174.4 | -37.6 | 0 | 0 | 0 | 0 | 111.7 | L1295 S1296 C1298 N1369 A1374 F1375 K1376 | L1295-T1372 WeakPolarHBondContact O-CG2 3.04Å; S1296-T1372 PolarHBondContact O-OG1 3.38Å; S1296-T1372 VanDerWaalsContact O-OG1 3.08Å; C1298-T1372 WeakPolarHBondContact O-CG2 3.34Å; N1369-T1372 WeakPolarHBondContact CB-OG1 3.26Å; N1369-T1372 PolarHBondContact N-OG1 3.32Å; N1369-T1372 PolarHBondContact O-OG1 2.87Å; T1372-A1374 HydrophobicContact CG2-CB 4.4Å; T1372-A1374 PolarHBondContact O-N 2.98Å; T1372-F1375 WeakPolarHBondContact O-CB 3.42Å; T1372-F1375 PolarHBondContact O-N 3.08Å; T1372-F1375 VanDerWaalsContact O-N 3.09Å; T1372-K1376 PolarHBondContact O-N 3.47Å | ||
| 1373 | K | 63.5 | Low | 73.8 | Confident | 117 Ų | 117 | 65 Ų | 65 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.1 | -45.9 | -178.2 | -166 | 176.3 | -176.3 | -88.5 | 0 | 112.1 | P1301 H1371 F1375 K1376 E1377 | P1301-K1373 HydrophobicContact CG-CB 4.14Å; H1371-K1373 PolarHBondContact O-N 2.94Å; H1371-K1373 VanDerWaalsContact O-N 3.12Å; K1373-F1375 PolarHBondContact O-N 3.39Å; K1373-F1375 VanDerWaalsContact O-N 3.11Å; K1373-K1376 WeakPolarHBondContact O-CB 3.45Å; K1373-K1376 PolarHBondContact O-N 3.39Å; K1373-E1377 WeakPolarHBondContact CE-OE1 3.44Å; K1373-E1377 IonicContact NZ-OE1 2.72Å; K1373-E1377 PolarHBondContact NZ-OE1 3.13Å; K1373-E1377 WeakPolarHBondContact O-CG 3.34Å; K1373-E1377 PolarHBondContact O-N 3.03Å; K1373-E1377 VanDerWaalsContact O-N 3.1Å |
| 1374 | A | 62.7 | Low | 73.7 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.5 | -28.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1295 T1372 L1379 | L1295-A1374 HydrophobicContact CD2-CB 4.17Å; T1372-A1374 HydrophobicContact CG2-CB 4.4Å; T1372-A1374 PolarHBondContact O-N 2.98Å; A1374-L1379 HydrophobicContact CB-CD1 3.98Å; A1374-L1379 PolarHBondContact O-N 3.15Å |
| 1375 | F | 63.4 | Low | 73.5 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -77.1 | -34.6 | 176 | 179.3 | -106.2 | 0 | 0 | 0 | 112.3 | P1368 T1372 K1373 E1377 G1378 V1385 | P1368-F1375 HydrophobicContact CB-CB 4.29Å; P1368-F1375 HydrophobicContact CB-CD1 3.96Å; P1368-F1375 HydrophobicContact CB-CD2 3.66Å; P1368-F1375 HydrophobicContact CB-CE1 4.25Å; P1368-F1375 HydrophobicContact CB-CE2 3.98Å; P1368-F1375 HydrophobicContact CB-CG 3.67Å; P1368-F1375 HydrophobicContact CB-CZ 4.27Å; P1368-F1375 HydrophobicContact CG-CD1 4.23Å; P1368-F1375 HydrophobicContact CG-CD2 3.99Å; P1368-F1375 HydrophobicContact CG-CE1 4Å; P1368-F1375 HydrophobicContact CG-CE2 3.75Å; P1368-F1375 HydrophobicContact CG-CG 4.24Å; P1368-F1375 HydrophobicContact CG-CZ 3.76Å; T1372-F1375 WeakPolarHBondContact O-CB 3.42Å; T1372-F1375 PolarHBondContact O-N 3.08Å; T1372-F1375 VanDerWaalsContact O-N 3.09Å; K1373-F1375 PolarHBondContact O-N 3.39Å; K1373-F1375 VanDerWaalsContact O-N 3.11Å; F1375-E1377 VanDerWaalsContact C-N 3.25Å; F1375-E1377 PolarHBondContact O-N 3.43Å; F1375-G1378 PolarHBondContact O-N 3.38Å; F1375-V1385 HydrophobicContact CE2-CB 4.39Å; F1375-V1385 HydrophobicContact CE2-CG1 3.67Å; F1375-V1385 HydrophobicContact CE2-CG2 3.78Å; F1375-V1385 HydrophobicContact CZ-CG1 3.9Å |
| 1376 | K | 66.8 | Low | 73.2 | Confident | 176 Ų | 176 | 67.7 Ų | 67.7 | 77% | 0.765 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -70.4 | -24.7 | 171.9 | -64.9 | -172 | 175.7 | -172.7 | 0 | 112.5 | T1372 K1373 G1378 | T1372-K1376 PolarHBondContact O-N 3.47Å; K1373-K1376 WeakPolarHBondContact O-CB 3.45Å; K1373-K1376 PolarHBondContact O-N 3.39Å; K1376-G1378 VanDerWaalsContact C-N 3.28Å |
| 1377 | E | 73 | Confident | 71.9 | Confident | 86 Ų | 86 | 72.4 Ų | 72.4 | 40% | 0.402 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 6.9 | 178.6 | -67.9 | 167.1 | 159 | 0 | 0 | 113.2 | K1373 F1375 L1379 | K1373-E1377 WeakPolarHBondContact CE-OE1 3.44Å; K1373-E1377 IonicContact NZ-OE1 2.72Å; K1373-E1377 PolarHBondContact NZ-OE1 3.13Å; K1373-E1377 WeakPolarHBondContact O-CG 3.34Å; K1373-E1377 PolarHBondContact O-N 3.03Å; K1373-E1377 VanDerWaalsContact O-N 3.1Å; F1375-E1377 VanDerWaalsContact C-N 3.25Å; F1375-E1377 PolarHBondContact O-N 3.43Å; E1377-L1379 VanDerWaalsContact C-N 3.28Å; E1377-L1379 HydrophobicContact CB-CD1 4.45Å; E1377-L1379 HydrophobicContact CB-CG 4.18Å; E1377-L1379 PolarHBondContact O-N 3.39Å |
| 1378 | G | 71.1 | Confident | 70.3 | Confident | 58 Ų | 58 | 77 Ų | 77 | 60% | 0.598 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 12 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | F1375 K1376 I1380 | F1375-G1378 PolarHBondContact O-N 3.38Å; K1376-G1378 VanDerWaalsContact C-N 3.28Å; G1378-I1380 PolarHBondContact O-N 3.09Å |
| 1379 | L | 77.9 | Confident | 69 | Low | 73 Ų | 73 | 79.5 Ų | 79.5 | 38% | 0.382 | 42% | 0.42 | S | S | . | . | trans | -71.9 | 8 | -171.9 | -58.5 | 178.3 | 0 | 0 | 0 | 115.2 | L1295 A1374 E1377 | L1295-L1379 HydrophobicContact CD1-CB 4.17Å; L1295-L1379 VanDerWaalsContact CD1-O 3.29Å; L1295-L1379 WeakPolarHBondContact CD1-O 3.42Å; L1295-L1379 HydrophobicContact CD2-CD1 4.45Å; A1374-L1379 HydrophobicContact CB-CD1 3.98Å; A1374-L1379 PolarHBondContact O-N 3.15Å; E1377-L1379 VanDerWaalsContact C-N 3.28Å; E1377-L1379 HydrophobicContact CB-CD1 4.45Å; E1377-L1379 HydrophobicContact CB-CG 4.18Å; E1377-L1379 PolarHBondContact O-N 3.39Å | ||
| 1380 | I | 79.7 | Confident | 67 | Low | 10 Ų | 10 | 82.6 Ų | 82.6 | 5% | 0.051 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -133.3 | 126.2 | 174.5 | -52.1 | 177.5 | 0 | 0 | 0 | 107.9 | L1295 G1378 L1384 V1385 | L1295-I1380 HydrophobicContact CB-CD1 3.73Å; L1295-I1380 HydrophobicContact CB-CG1 3.79Å; L1295-I1380 HydrophobicContact CD1-CG1 4.18Å; G1378-I1380 PolarHBondContact O-N 3.09Å; I1380-L1384 HydrophobicContact CG2-CB 4.14Å; I1380-V1385 HydrophobicContact CG2-CG2 4.23Å |
| 1381 | P | 81.7 | Confident | 65.3 | Low | 36 Ų | 36 | 82.6 Ų | 82.6 | 23% | 0.234 | 45% | 0.449 | C | S | . | . | trans | -49.9 | 129.6 | 172.6 | -28.5 | 34 | 0 | 0 | 0 | 112.2 | F1329 I1333 E1383 L1384 | F1329-P1381 VanDerWaalsContact CD2-CD 3.5Å; F1329-P1381 HydrophobicContact CD2-CG 3.98Å; I1333-P1381 HydrophobicContact CD1-CB 4.36Å; I1333-P1381 HydrophobicContact CD1-CG 4.22Å; P1381-E1383 WeakPolarHBondContact CB-OE2 3.24Å; P1381-E1383 PolarHBondContact O-N 3.2Å; P1381-E1383 VanDerWaalsContact O-N 3.12Å; P1381-L1384 HydrophobicContact CB-CD1 4.02Å; P1381-L1384 HydrophobicContact CB-CG 4.45Å; P1381-L1384 HydrophobicContact CG-CD1 4.01Å; P1381-L1384 WeakPolarHBondContact O-CB 3.44Å; P1381-L1384 PolarHBondContact O-N 3.23Å; P1381-L1384 VanDerWaalsContact O-N 3.07Å | ||
| 1382 | P | 79.3 | Confident | 64.2 | Low | 96 Ų | 96 | 82 Ų | 82 | 62% | 0.623 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -64.3 | -20.5 | -170.2 | 24.9 | -33.2 | 0 | 0 | 0 | 113.9 | L1384 V1385 | P1382-L1384 VanDerWaalsContact C-N 3.32Å; P1382-L1384 PolarHBondContact O-N 3.18Å; P1382-V1385 WeakPolarHBondContact O-CB 3.27Å; P1382-V1385 PolarHBondContact O-N 3.04Å; P1382-V1385 VanDerWaalsContact O-N 3.16Å |
| 1383 | E | 83.4 | Confident | 62.5 | Low | 90 Ų | 90 | 87.8 Ų | 87.8 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -62.5 | -40.3 | 174.9 | -57.5 | 67.2 | -145 | 0 | 0 | 111.1 | P1362 Q1365 P1381 V1385 | P1362-E1383 WeakPolarHBondContact CG-O 3.48Å; Q1365-E1383 PolarHBondContact NE2-O 3.48Å; P1381-E1383 WeakPolarHBondContact CB-OE2 3.24Å; P1381-E1383 PolarHBondContact O-N 3.2Å; P1381-E1383 VanDerWaalsContact O-N 3.12Å; E1383-V1385 PolarHBondContact O-N 2.88Å |
| 1384 | L | 83.5 | Confident | 60.9 | Low | 0 Ų | 0 | 91.6 Ų | 91.6 | 0% | 0 | 51% | 0.513 | C | S | . | . | G | 310 helix | trans | -74.7 | -3.6 | 178.7 | -61.1 | 166.2 | 0 | 0 | 0 | 112.3 | F1329 L1332 I1333 P1362 L1364 Q1365 F1366 I1380 P1381 P1382 | F1329-L1384 HydrophobicContact CB-CD1 3.57Å; F1329-L1384 HydrophobicContact CD1-CD1 3.82Å; F1329-L1384 HydrophobicContact CD2-CD1 4.26Å; F1329-L1384 HydrophobicContact CG-CD1 3.61Å; L1332-L1384 HydrophobicContact CB-CD2 3.95Å; I1333-L1384 HydrophobicContact CD1-CD1 4.18Å; I1333-L1384 HydrophobicContact CG1-CD1 4.17Å; I1333-L1384 HydrophobicContact CG1-CD2 4.2Å; I1333-L1384 HydrophobicContact CG1-CG 4.32Å; P1362-L1384 HydrophobicContact CB-CD2 3.79Å; L1364-L1384 WeakPolarHBondContact O-CD2 3.47Å; Q1365-L1384 CarbonylContact C-O 3.4Å; Q1365-L1384 VanDerWaalsContact CA-O 3.27Å; Q1365-L1384 WeakPolarHBondContact CA-O 3.37Å; F1366-L1384 HydrophobicContact CD2-CB 4.15Å; F1366-L1384 HydrophobicContact CE2-CB 4.41Å; F1366-L1384 PolarHBondContact N-O 3.26Å; I1380-L1384 HydrophobicContact CG2-CB 4.14Å; P1381-L1384 HydrophobicContact CB-CD1 4.02Å; P1381-L1384 HydrophobicContact CB-CG 4.45Å; P1381-L1384 HydrophobicContact CG-CD1 4.01Å; P1381-L1384 WeakPolarHBondContact O-CB 3.44Å; P1381-L1384 PolarHBondContact O-N 3.23Å; P1381-L1384 VanDerWaalsContact O-N 3.07Å; P1382-L1384 VanDerWaalsContact C-N 3.32Å; P1382-L1384 PolarHBondContact O-N 3.18Å |
| 1385 | V | 82.3 | Confident | 59.4 | Low | 24 Ų | 24 | 97 Ų | 97 | 15% | 0.145 | 55% | 0.547 | C | S | . | . | B | Isolated β-bridge | trans | -96.6 | 118.7 | -177.7 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | P1368 F1375 I1380 P1382 E1383 P1387 | P1368-V1385 HydrophobicContact CG-CG1 3.91Å; F1375-V1385 HydrophobicContact CE2-CB 4.39Å; F1375-V1385 HydrophobicContact CE2-CG1 3.67Å; F1375-V1385 HydrophobicContact CE2-CG2 3.78Å; F1375-V1385 HydrophobicContact CZ-CG1 3.9Å; I1380-V1385 HydrophobicContact CG2-CG2 4.23Å; P1382-V1385 WeakPolarHBondContact O-CB 3.27Å; P1382-V1385 PolarHBondContact O-N 3.04Å; P1382-V1385 VanDerWaalsContact O-N 3.16Å; E1383-V1385 PolarHBondContact O-N 2.88Å; V1385-P1387 VanDerWaalsContact O-CD 3.23Å; V1385-P1387 WeakPolarHBondContact O-CD 3.15Å |
| 1386 | K | 79.2 | Confident | 58.1 | Low | 119 Ų | 119 | 105 Ų | 105 | 52% | 0.517 | 58% | 0.575 | S | S | . | * | trans | -69.9 | 114.4 | 179.5 | -163.2 | 157.2 | -165.8 | 169.2 | 0 | 110.3 | Q1365 F1366 | Q1365-K1386 HydrophobicContact CB-CB 4.03Å; F1366-K1386 VanDerWaalsContact O-CB 3.28Å; F1366-K1386 WeakPolarHBondContact O-CB 3.35Å; F1366-K1386 PolarHBondContact O-N 3.14Å | ||
| 1387 | P | 58.9 | Low | 56.6 | Low | 101 Ų | 101 | 106.4 Ų | 106.4 | 66% | 0.656 | 58% | 0.581 | S | S | * | * | trans | -66.7 | 141.7 | -178.3 | 27.4 | -34.5 | 0 | 0 | 0 | 110.6 | V1385 G1389 | V1385-P1387 VanDerWaalsContact O-CD 3.23Å; V1385-P1387 WeakPolarHBondContact O-CD 3.15Å; P1387-G1389 PolarHBondContact O-N 2.99Å; P1387-G1389 VanDerWaalsContact O-N 3.08Å | ||
| 1388 | K | 48.5 | Very low | 54.5 | Low | 157 Ų | 157 | 111.8 Ų | 111.8 | 68% | 0.683 | 60% | 0.604 | S | S | * | * | trans | -75 | 97.7 | 172.9 | -75.8 | 172.8 | -179.3 | 157.7 | 0 | 108.7 | V1390 | K1388-V1390 PolarHBondContact O-N 3.05Š| ||
| 1389 | G | 45.4 | Very low | 52.6 | Low | 71 Ų | 71 | 112.8 Ų | 112.8 | 73% | 0.732 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 127.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | P1387 | P1387-G1389 PolarHBondContact O-N 2.99Å; P1387-G1389 VanDerWaalsContact O-N 3.08Å |
| 1390 | V | 29.6 | Very low | 50.3 | Low | 132 Ų | 132 | 118.8 Ų | 118.8 | 80% | 0.8 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 146.8 | 159.5 | 176.5 | 0 | 0 | 0 | 0 | 108.3 | K1388 T1392 | K1388-V1390 PolarHBondContact O-N 3.05Å; V1390-T1392 PolarHBondContact O-N 3.44Å |
| 1391 | N | 26.7 | Very low | 47.8 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 87% | 0.866 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -62 | 118.8 | -178.2 | -71.8 | -25.7 | 0 | 0 | 0 | 111.8 | ||
| 1392 | T | 29.4 | Very low | 45.5 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | trans | -131.2 | 123.4 | 159.8 | 59.5 | 0 | 0 | 0 | 0 | 109.4 | V1390 | V1390-T1392 PolarHBondContact O-N 3.44Š| ||
| 1393 | S | 27 | Very low | 43.2 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 87% | 0.874 | 70% | 0.703 | S | S | * | * | trans | -69.5 | 155.6 | -176 | 48.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1394 | K | 29.1 | Very low | 40.7 | Very low | 197 Ų | 197 | 132.2 Ų | 132.2 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | trans | -144.3 | 160.5 | 172.1 | -94.2 | -172.6 | 179.1 | 179.6 | 0 | 108.4 | ||||
| 1395 | P | 31.9 | Very low | 38.3 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | cis | -132.4 | 164.7 | -19.9 | 36.7 | -21.1 | 0 | 0 | 0 | 113.5 | ||||
| 1396 | R | 36.6 | Very low | 35.7 | Very low | 248 Ų | 248 | 146.5 Ų | 146.5 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | trans | -150.8 | 122.4 | 157.5 | -115.2 | -178.7 | -179.1 | -174.3 | 0.1 | 111.8 | ||||
| 1397 | K | 33.5 | Very low | 33.3 | Very low | 205 Ų | 205 | 149.8 Ų | 149.8 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | -157 | 143.4 | 164 | -70 | -162.3 | 173.5 | -178.2 | 0 | 105 | ||||
| 1398 | K | 30 | Very low | 31.9 | Very low | 200 Ų | 200 | 153.2 Ų | 153.2 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | cis | -140.4 | 167.5 | 25.7 | -87.4 | -179.9 | -179.5 | 171.8 | 0 | 109.6 | ||||
| 1399 | A | 31.8 | Very low | 30.9 | Very low | 79 Ų | 79 | 150.7 Ų | 150.7 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | cis | -166.5 | 158.4 | -10.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1400 | K | 28.4 | Very low | 30.1 | Very low | 198 Ų | 198 | 156.5 Ų | 156.5 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 66.3 | 149.6 | 165.6 | -67 | 176.9 | 178.7 | -172.2 | 0 | 114.7 | ||||
| 1401 | E | 28.3 | Very low | 30 | Very low | 187 Ų | 187 | 156.1 Ų | 156.1 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | cis | -111.6 | -158.5 | 16.6 | -63.1 | -176.4 | 119.6 | 0 | 0 | 114.9 | ||||
| 1402 | T | 33 | Very low | 30 | Very low | 130 Ų | 130 | 155.7 Ų | 155.7 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | trans | -138.3 | 163.6 | -169.1 | 48 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1403 | V | 31.4 | Very low | 30 | Very low | 132 Ų | 132 | 158.4 Ų | 158.4 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | cis | -162.6 | 142.9 | 47.1 | 174.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1404 | G | 29.3 | Very low | 29.8 | Very low | 66 Ų | 66 | 159 Ų | 159 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | trans | 93.4 | 155.7 | 139.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1405 | H | 33.2 | Very low | 29.7 | Very low | 150 Ų | 150 | 159.5 Ų | 159.5 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | cis | -168.5 | 130.5 | -15.4 | -146.2 | 30.8 | 0 | 0 | 0 | 115.7 | ||||
| 1406 | K | 27.8 | Very low | 29.4 | Very low | 174 Ų | 174 | 161 Ų | 161 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | 63.3 | 163.3 | 159.4 | -65.6 | 163.4 | 173.3 | 153.1 | 0 | 117.2 | ||||
| 1407 | K | 29.5 | Very low | 28.9 | Very low | 187 Ų | 187 | 155.7 Ų | 155.7 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | cis | -129.4 | 153.4 | 5.1 | -96.7 | -179.3 | -178.6 | 172.7 | 0 | 109.2 | ||||
| 1408 | K | 28.9 | Very low | 28.7 | Very low | 173 Ų | 173 | 155.1 Ų | 155.1 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | 59.2 | 140.5 | 76.8 | -71.9 | -165.9 | 156.5 | -151.6 | 0 | 115 | |||||
| 1409 | E | 28.9 | Very low | 28.5 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 49% | 0.491 | 75% | 0.75 | S | S | . | * | cis | -168.8 | 159.1 | 6.4 | -121 | -176.6 | -139.7 | 0 | 0 | 114.1 | ||||
| 1410 | R | 28.3 | Very low | 28.3 | Very low | 193 Ų | 193 | 153.5 Ų | 153.5 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | trans | 63.2 | 164.5 | 142.2 | -73.1 | -163.5 | 163.6 | 128.3 | -18.7 | 122.3 | ||||
| 1411 | N | 27.2 | Very low | 28.3 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 66% | 0.658 | 75% | 0.747 | S | S | * | * | cis | -154.3 | -173.4 | -13.6 | -127.1 | 38.9 | 0 | 0 | 0 | 114.7 | ||||
| 1412 | E | 26.5 | Very low | 28.2 | Very low | 154 Ų | 154 | 147.7 Ų | 147.7 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | -86.9 | 173.7 | -178.1 | -39.9 | 110.9 | 122.5 | 0 | 0 | 116.9 | ||||
| 1413 | M | 29.1 | Very low | 28 | Very low | 185 Ų | 185 | 147.8 Ų | 147.8 | 91% | 0.911 | 74% | 0.735 | S | S | * | * | trans | -159.7 | 152.4 | 131.6 | -124.5 | 177.2 | -71.3 | 0 | 0 | 114.6 | ||||
| 1414 | E | 23 | Very low | 27.9 | Very low | 139 Ų | 139 | 148.2 Ų | 148.2 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | trans | -95.4 | 169.2 | 171.7 | -72 | -169.4 | 104.1 | 0 | 0 | 112.3 | K1416 | E1414-K1416 IonicContact OE1-NZ 3.13Å; E1414-K1416 PolarHBondContact OE1-NZ 3.42Å; E1414-K1416 IonicContact OE2-NZ 2.72Å | ||
| 1415 | F | 27.9 | Very low | 27.8 | Very low | 206 Ų | 206 | 151.7 Ų | 151.7 | 90% | 0.904 | 73% | 0.731 | S | S | * | * | -160.1 | 161.6 | 126.5 | -116.5 | -77.1 | 0 | 0 | 0 | 112.9 | |||||
| 1416 | K | 23.9 | Very low | 27.5 | Very low | 147 Ų | 147 | 152 Ų | 152 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | trans | -134.6 | 134.8 | -175.6 | -62.7 | 174.7 | -178.5 | 97.5 | 0 | 112.8 | E1414 | E1414-K1416 IonicContact OE1-NZ 3.13Å; E1414-K1416 PolarHBondContact OE1-NZ 3.42Å; E1414-K1416 IonicContact OE2-NZ 2.72Å | ||
| 1417 | T | 27.6 | Very low | 27.7 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | trans | -172.1 | 121.9 | 146.9 | 22.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1418 | K | 29 | Very low | 27.6 | Very low | 193 Ų | 193 | 143 Ų | 143 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | 76.4 | 96.5 | 84.3 | -81.9 | -166.2 | 174.4 | -177.6 | 0 | 117.2 | |||||
| 1419 | S | 25.5 | Very low | 27.9 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | 55 | 124.1 | 130.3 | 61.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1420 | N | 26.6 | Very low | 27.8 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | 95.7 | 140.7 | 134.4 | -77.4 | 20.2 | 0 | 0 | 0 | 122.6 | ||||
| 1421 | N | 29.3 | Very low | 28 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | trans | 81.2 | 97 | 154.9 | -64.6 | 2.2 | 0 | 0 | 0 | 121 | ||||
| 1422 | N | 26.9 | Very low | 28 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | 82.8 | 123.2 | 116.5 | -73.4 | 2.3 | 0 | 0 | 0 | 123.3 | |||||
| 1423 | I | 28.5 | Very low | 28.1 | Very low | 133 Ų | 133 | 142 Ų | 142 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | trans | 92.9 | 135.3 | 130.3 | -71.5 | 169.9 | 0 | 0 | 0 | 118.7 | ||||
| 1424 | D | 28.6 | Very low | 28.2 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | 60.1 | 152.4 | 168.6 | -61.7 | -15.7 | 0 | 0 | 0 | 119.5 | ||||
| 1425 | E | 28 | Very low | 28.3 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | cis | -148.8 | 144.8 | -32.9 | -127.9 | -169 | 164.1 | 0 | 0 | 110.1 | ||||
| 1426 | L | 27.3 | Very low | 28.4 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | 17.3 | 120.6 | 153.1 | -70 | 160.8 | 0 | 0 | 0 | 122.3 | ||||
| 1427 | S | 30.9 | Very low | 28.4 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -143.5 | 138 | 138.6 | 72.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1428 | G | 28.4 | Very low | 28.2 | Very low | 49 Ų | 49 | 138.5 Ų | 138.5 | 51% | 0.505 | 75% | 0.752 | S | S | . | * | trans | -127.1 | 162.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1495 | G1428-N1495 PolarHBondContact O-ND2 2.92Š| ||
| 1429 | H | 33.8 | Very low | 27.9 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | trans | -141 | 125.7 | 165.5 | -115.9 | -81.2 | 0 | 0 | 0 | 108.4 | ||||
| 1430 | E | 28.5 | Very low | 27.8 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | trans | -82.2 | 136 | 161.8 | -71.9 | -179.1 | 153.8 | 0 | 0 | 108 | R1497 | E1430-R1497 VanDerWaalsContact CD-NH1 3.33Å; E1430-R1497 WeakPolarHBondContact OE1-CD 3.36Å; E1430-R1497 IonicContact OE1-CZ 2.7Å; E1430-R1497 IonicContact OE1-NE 3.6Å; E1430-R1497 IonicContact OE1-NH1 3.23Å; E1430-R1497 PolarHBondContact OE1-NH1 3.39Å; E1430-R1497 WeakPolarHBondContact OE2-CD 3.39Å; E1430-R1497 IonicContact OE2-CZ 2.72Å; E1430-R1497 IonicContact OE2-NE 2.62Å; E1430-R1497 IonicContact OE2-NH1 3.21Å; E1430-R1497 PolarHBondContact OE2-NH1 3.29Å; E1430-R1497 VanDerWaalsContact OE2-NH1 3.13Å | ||
| 1431 | S | 31.2 | Very low | 27.7 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -128.6 | 144.9 | 156.2 | 64.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1432 | I | 26.8 | Very low | 27.4 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -77.5 | 148.2 | 177 | -65.3 | 157.3 | 0 | 0 | 0 | 108.2 | ||||
| 1433 | D | 30 | Very low | 27.3 | Very low | 145 Ų | 145 | 143.4 Ų | 143.4 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | -175 | 133.7 | 128.6 | -86.2 | -14 | 0 | 0 | 0 | 112.2 | |||||
| 1434 | D | 31.2 | Very low | 27.1 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | 41 | 124.3 | 152.6 | -62.1 | -17.1 | 0 | 0 | 0 | 124.1 | ||||
| 1435 | N | 25.4 | Very low | 27.1 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -65 | 134.6 | 136.7 | -84.8 | -50.4 | 0 | 0 | 0 | 109.2 | ||||
| 1436 | E | 28.9 | Very low | 27.1 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | -154.2 | 170.9 | 120 | -125.9 | -169.7 | -167.6 | 0 | 0 | 114 | |||||
| 1437 | N | 24.1 | Very low | 26.9 | Very low | 145 Ų | 145 | 148 Ų | 148 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | -91.5 | 164 | -176.8 | -88.4 | -76.3 | 0 | 0 | 0 | 112.5 | ||||
| 1438 | S | 23.3 | Very low | 26.8 | Very low | 94 Ų | 94 | 149.2 Ų | 149.2 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | 103.2 | 134.2 | 135.8 | 87.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1439 | L | 23.5 | Very low | 26.7 | Very low | 171 Ų | 171 | 154.5 Ų | 154.5 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | 52.3 | 76.7 | 130 | -63 | 171.3 | 0 | 0 | 0 | 119.4 | |||||
| 1440 | S | 23.9 | Very low | 26.3 | Very low | 123 Ų | 123 | 154 Ų | 154 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -152.1 | 61.2 | 149 | 49.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1441 | D | 24.2 | Very low | 26.1 | Very low | 157 Ų | 157 | 157.5 Ų | 157.5 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | -138.5 | 70.1 | 158.5 | -155.8 | -5.7 | 0 | 0 | 0 | 112 | ||||
| 1442 | S | 22.7 | Very low | 25.9 | Very low | 117 Ų | 117 | 156.9 Ų | 156.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -160.9 | 53.7 | 175.8 | -82.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1443 | R | 23.6 | Very low | 25.9 | Very low | 235 Ų | 235 | 156.8 Ų | 156.8 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | 179.4 | 107.3 | 149.9 | -98.3 | 148.5 | -171.4 | -169.8 | 1.9 | 110.1 | ||||
| 1444 | D | 26 | Very low | 25.6 | Very low | 146 Ų | 146 | 155.5 Ų | 155.5 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | -170.3 | 111 | 107.1 | -115.1 | -7 | 0 | 0 | 0 | 113.9 | |||||
| 1445 | K | 27.6 | Very low | 25.4 | Very low | 191 Ų | 191 | 155.4 Ų | 155.4 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | S | Bend | -173.1 | 134.6 | 122.4 | -104.1 | 147.6 | -169.7 | 154.2 | 0 | 114.6 | |||
| 1446 | I | 27.2 | Very low | 25.2 | Very low | 140 Ų | 140 | 153.2 Ų | 153.2 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | 69.1 | 81.6 | 157.8 | -50.9 | 160.2 | 0 | 0 | 0 | 114.8 | Q1448 | I1446-Q1448 HydrophobicContact CG2-CG 4.39Š| ||
| 1447 | H | 24 | Very low | 25.1 | Very low | 190 Ų | 190 | 150.8 Ų | 150.8 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | -75.8 | 127.1 | 128.8 | -94.9 | -57.2 | 0 | 0 | 0 | 108.8 | |||||
| 1448 | Q | 28.5 | Very low | 25.1 | Very low | 148 Ų | 148 | 148 Ų | 148 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -112.7 | 116.4 | 142.3 | -84.9 | 179.3 | -26.4 | 0 | 0 | 105.1 | I1446 | I1446-Q1448 HydrophobicContact CG2-CG 4.39Š| ||
| 1449 | Q | 26.8 | Very low | 25.2 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | 67.7 | 136 | 97.9 | -67.8 | 179 | 3.2 | 0 | 0 | 112.1 | |||||
| 1450 | Q | 25.8 | Very low | 25.4 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | cis | -134.8 | 150.9 | 23.1 | -63 | 166.7 | -27.9 | 0 | 0 | 113 | V1452 | Q1450-V1452 HydrophobicContact CB-CG2 4.42Š| ||
| 1451 | K | 24.5 | Very low | 25.4 | Very low | 212 Ų | 212 | 145.9 Ų | 145.9 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | -139.2 | 110.8 | 125.4 | -148 | 175.9 | -174.5 | -178.9 | 0 | 109.2 | |||||
| 1452 | V | 25.7 | Very low | 25.5 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 64% | 0.642 | 78% | 0.782 | S | S | * | * | trans | -72.4 | 152 | 165.3 | -143.1 | 0 | 0 | 0 | 0 | 105.5 | Q1450 | Q1450-V1452 HydrophobicContact CB-CG2 4.42Š| ||
| 1453 | I | 27.3 | Very low | 25.6 | Very low | 148 Ų | 148 | 145 Ų | 145 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | cis | -151.2 | 154.1 | 34.3 | -58.9 | 160.4 | 0 | 0 | 0 | 109.3 | ||||
| 1454 | S | 23.2 | Very low | 25.8 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -149.4 | 125.1 | 153.8 | -176.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1455 | I | 26.4 | Very low | 25.7 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -149.4 | 116.9 | 169.6 | -63.6 | -173.5 | 0 | 0 | 0 | 109 | ||||
| 1456 | C | 23 | Very low | 25.4 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | 60.4 | 154.5 | 164.4 | -59.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1457 | V | 26.1 | Very low | 25.2 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | cis | -129.7 | 170.4 | 18.8 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1458 | A | 24.7 | Very low | 25.3 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -53.4 | 168.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1459 | S | 25 | Very low | 25.2 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | cis | -144.3 | 175.7 | 22.7 | -42.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1460 | T | 26.3 | Very low | 25.2 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | cis | -153.7 | 177.5 | 31.8 | -33.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1461 | S | 24.3 | Very low | 25.4 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -66.7 | 173.5 | 178.6 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1462 | S | 26.9 | Very low | 25.5 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | cis | -157.4 | 167.3 | 26.4 | 53.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1463 | N | 24.1 | Very low | 25.6 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | -94.7 | 162.5 | 164.4 | -67.8 | -33.8 | 0 | 0 | 0 | 110.6 | ||||
| 1464 | M | 27.5 | Very low | 25.4 | Very low | 159 Ų | 159 | 129.7 Ų | 129.7 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | 170.5 | 129.5 | 131.3 | -85.9 | -67.3 | 137.5 | 0 | 0 | 106.3 | ||||
| 1465 | L | 25 | Very low | 25.5 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | 71.6 | 157.1 | 63 | -84.7 | 166.2 | 0 | 0 | 0 | 114.8 | |||||
| 1466 | S | 20.8 | Very low | 25.4 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | -131 | 167.9 | -148.5 | 56.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1467 | S | 24 | Very low | 25.6 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | 65.2 | 124.7 | 156.4 | 57.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 1468 | E | 25.2 | Very low | 25.6 | Very low | 180 Ų | 180 | 131.1 Ų | 131.1 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | trans | 167.9 | 158.1 | 135.4 | -93.3 | 178.2 | -174.9 | 0 | 0 | 108.9 | ||||
| 1469 | I | 27 | Very low | 25.8 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | cis | -158.8 | -172.8 | -40 | -128.7 | 176.5 | 0 | 0 | 0 | 108.5 | ||||
| 1470 | D | 26.3 | Very low | 26 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 74 | 146.7 | 169.3 | -70.7 | -31.2 | 0 | 0 | 0 | 119.6 | ||||
| 1471 | T | 30.3 | Very low | 26 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | cis | -145.6 | 167.4 | -8.3 | 8.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1472 | K | 25.8 | Very low | 26.2 | Very low | 188 Ų | 188 | 140 Ų | 140 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | trans | -48.9 | 172.7 | 169.2 | -54.8 | 157.8 | -178.6 | 170.2 | 0 | 113.9 | ||||
| 1473 | V | 27.6 | Very low | 26.2 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | cis | -155 | 165.5 | 41.9 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1474 | C | 22.9 | Very low | 26.4 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | -120 | 150.1 | 167.7 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1475 | D | 25.3 | Very low | 26.5 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | 169.5 | 158.2 | 154.2 | -84 | -20.1 | 0 | 0 | 0 | 108.3 | ||||
| 1476 | D | 25.8 | Very low | 26.7 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | cis | -163.2 | 175.3 | -41.1 | -168.7 | 15.2 | 0 | 0 | 0 | 109.5 | ||||
| 1477 | V | 26.7 | Very low | 27.2 | Very low | 104 Ų | 104 | 145 Ų | 145 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | trans | 79.1 | 91.1 | 159.2 | -165.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1478 | I | 26.3 | Very low | 27.5 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | 43.1 | 122.9 | 120.4 | -52.3 | 163.4 | 0 | 0 | 0 | 122.3 | |||||
| 1479 | T | 28.3 | Very low | 27.8 | Very low | 117 Ų | 117 | 143 Ų | 143 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | -178.8 | 133.6 | 116.1 | 23.3 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1480 | K | 28.7 | Very low | 27.9 | Very low | 189 Ų | 189 | 145.4 Ų | 145.4 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | 61.7 | 154.6 | 145.6 | -65.1 | 173.4 | -177.7 | 172.7 | 0 | 121.6 | ||||
| 1481 | T | 26.8 | Very low | 28.2 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | -176.5 | 126.4 | -59.2 | 29.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1482 | Q | 29.3 | Very low | 28 | Very low | 185 Ų | 185 | 148.2 Ų | 148.2 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -173 | 118.3 | 144.2 | -102.1 | 175.2 | 27.5 | 0 | 0 | 108.2 | ||||
| 1483 | K | 27.1 | Very low | 28 | Very low | 197 Ų | 197 | 143.9 Ų | 143.9 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | 60.4 | 128 | 93.4 | -75.9 | -172.6 | 175.7 | -179.9 | 0 | 113 | |||||
| 1484 | V | 28.3 | Very low | 28.3 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 71% | 0.709 | 80% | 0.796 | S | S | * | * | cis | -154.3 | 138.9 | 33.6 | 175.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1485 | R | 28.2 | Very low | 28.5 | Very low | 240 Ų | 240 | 144 Ų | 144 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | 61.3 | 150.8 | 162.5 | -74.3 | 169 | 179.8 | 168.3 | -2 | 117.6 | ||||
| 1486 | S | 30.7 | Very low | 28.7 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | cis | -149.9 | 138.1 | 6.3 | 48 | 0 | 0 | 0 | 0 | 115 | ||||
| 1487 | S | 30.9 | Very low | 28.8 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | 55 | 116.7 | 137.9 | -49.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1488 | P | 29.7 | Very low | 28.9 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -89.3 | 173.6 | 162.9 | 38.2 | -34.5 | 0 | 0 | 0 | 112.9 | ||||
| 1489 | P | 31.6 | Very low | 29 | Very low | 124 Ų | 124 | 151.4 Ų | 151.4 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -88 | 158.5 | -171.7 | 34.7 | -36.6 | 0 | 0 | 0 | 115.4 | ||||
| 1490 | H | 29.8 | Very low | 29.1 | Very low | 186 Ų | 186 | 156.4 Ų | 156.4 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -115.3 | 153.4 | 163 | -111 | -98.4 | 0 | 0 | 0 | 109.9 | ||||
| 1491 | P | 31.4 | Very low | 29.2 | Very low | 112 Ų | 112 | 158.1 Ų | 158.1 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -91 | 144.3 | -179.6 | 35.4 | -32.9 | 0 | 0 | 0 | 112.3 | ||||
| 1492 | E | 27.5 | Very low | 29.3 | Very low | 204 Ų | 204 | 161 Ų | 161 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | trans | -153.4 | 159.4 | 157.4 | -135.1 | 166.5 | -131.2 | 0 | 0 | 111.5 | ||||
| 1493 | A | 25.9 | Very low | 29.3 | Very low | 96 Ų | 96 | 157.6 Ų | 157.6 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | trans | -98.5 | 142.9 | -163.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1494 | V | 32.1 | Very low | 29.3 | Very low | 147 Ų | 147 | 154.5 Ų | 154.5 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | -133.9 | 123.2 | 163.6 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1495 | N | 27.1 | Very low | 29.7 | Very low | 100 Ų | 100 | 154.1 Ų | 154.1 | 54% | 0.535 | 79% | 0.79 | S | S | . | * | trans | -146.6 | 109.5 | 164 | -170.4 | -3.6 | 0 | 0 | 0 | 109.1 | G1428 | G1428-N1495 PolarHBondContact O-ND2 2.92Š| ||
| 1496 | N | 29.4 | Very low | 29.5 | Very low | 153 Ų | 153 | 151.3 Ų | 151.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -170 | 134.2 | 165.5 | -121.7 | -56.6 | 0 | 0 | 0 | 114 | ||||
| 1497 | R | 29 | Very low | 29.3 | Very low | 174 Ų | 174 | 154.5 Ų | 154.5 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | trans | -142.9 | 98.7 | 166.1 | -116.2 | -180 | 179.3 | -169.8 | 3.4 | 112.4 | E1430 | E1430-R1497 VanDerWaalsContact CD-NH1 3.33Å; E1430-R1497 WeakPolarHBondContact OE1-CD 3.36Å; E1430-R1497 IonicContact OE1-CZ 2.7Å; E1430-R1497 IonicContact OE1-NE 3.6Å; E1430-R1497 IonicContact OE1-NH1 3.23Å; E1430-R1497 PolarHBondContact OE1-NH1 3.39Å; E1430-R1497 WeakPolarHBondContact OE2-CD 3.39Å; E1430-R1497 IonicContact OE2-CZ 2.72Å; E1430-R1497 IonicContact OE2-NE 2.62Å; E1430-R1497 IonicContact OE2-NH1 3.21Å; E1430-R1497 PolarHBondContact OE2-NH1 3.29Å; E1430-R1497 VanDerWaalsContact OE2-NH1 3.13Å | ||
| 1498 | K | 29 | Very low | 29.1 | Very low | 174 Ų | 174 | 154.9 Ų | 154.9 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | 56.7 | 112 | 144.8 | -58.9 | 179.7 | 174.2 | -179.7 | 0 | 120.3 | ||||
| 1499 | K | 29.1 | Very low | 29 | Very low | 202 Ų | 202 | 156.2 Ų | 156.2 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | 163.3 | 131.8 | 106.5 | -94 | 166 | 179.2 | 176.3 | 0 | 116.7 | |||||
| 1500 | R | 29.2 | Very low | 28.9 | Very low | 222 Ų | 222 | 158.7 Ų | 158.7 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -156.4 | 149 | 158.5 | -63.8 | -171.7 | 175.6 | 171.3 | -3 | 106 | ||||
| 1501 | R | 30.7 | Very low | 28.7 | Very low | 225 Ų | 225 | 161 Ų | 161 | 85% | 0.849 | 78% | 0.782 | S | S | * | * | cis | -151.1 | 132.6 | -3.4 | -105.6 | 173.9 | -177.2 | -174.6 | 1.4 | 106.4 | ||||
| 1502 | K | 29.9 | Very low | 28.7 | Very low | 187 Ų | 187 | 161 Ų | 161 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | 79.6 | 111.3 | 90.9 | -82 | -161 | 175.1 | -169.8 | 0 | 119.3 | |||||
| 1503 | T | 29.5 | Very low | 28.6 | Very low | 113 Ų | 113 | 162.1 Ų | 162.1 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | 59.9 | 110.2 | 129.8 | 58.5 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 1504 | T | 25.5 | Very low | 28.8 | Very low | 132 Ų | 132 | 165 Ų | 165 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | 39.5 | 158.4 | 118.7 | 54.9 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1505 | P | 36.6 | Very low | 28.7 | Very low | 108 Ų | 108 | 162.9 Ų | 162.9 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -141.4 | -176.2 | -17.2 | 38.3 | -17.6 | 0 | 0 | 0 | 117.1 | ||||
| 1506 | Q | 24.6 | Very low | 28.8 | Very low | 181 Ų | 181 | 166.7 Ų | 166.7 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | 58.4 | 113.4 | 152.2 | -83.9 | -175.7 | -51.1 | 0 | 0 | 123.5 | ||||
| 1507 | E | 26.5 | Very low | 28.8 | Very low | 169 Ų | 169 | 166.3 Ų | 166.3 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | 171.4 | 115.6 | 123.4 | -86.9 | -103.6 | 91.2 | 0 | 0 | 107.8 | |||||
| 1508 | N | 26 | Very low | 28.6 | Very low | 123 Ų | 123 | 161.8 Ų | 161.8 | 66% | 0.658 | 77% | 0.774 | S | S | * | * | 72 | 122.1 | 87.7 | -93.9 | -33 | 0 | 0 | 0 | 116.7 | |||||
| 1509 | L | 29.6 | Very low | 28.5 | Very low | 149 Ų | 149 | 160.9 Ų | 160.9 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | 134.2 | 141.1 | 154.1 | -74 | 172.7 | 0 | 0 | 0 | 113 | ||||
| 1510 | K | 28 | Very low | 28.3 | Very low | 176 Ų | 176 | 156.1 Ų | 156.1 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | cis | -166.8 | 143.1 | -47 | -117.1 | 179.7 | -148.7 | 162.4 | 0 | 109 | ||||
| 1511 | R | 25.7 | Very low | 28.3 | Very low | 233 Ų | 233 | 153 Ų | 153 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -75.2 | 147.8 | 153.9 | -90.5 | 179.2 | 163.4 | -173.6 | -4.4 | 109.2 | ||||
| 1512 | P | 31.7 | Very low | 28 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | -140.7 | 146.9 | 105.3 | 23 | -1.8 | 0 | 0 | 0 | 112.8 | |||||
| 1513 | R | 24.8 | Very low | 28.1 | Very low | 228 Ų | 228 | 144.3 Ų | 144.3 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | 61.1 | 128.7 | 65 | -77.8 | -176.6 | 168.7 | 173 | -3.3 | 115 | |||||
| 1514 | I | 30 | Very low | 27.9 | Very low | 158 Ų | 158 | 147 Ų | 147 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | trans | -169.5 | 134.8 | 130.7 | -102.5 | 155.3 | 0 | 0 | 0 | 111.7 | ||||
| 1515 | S | 30 | Very low | 27.9 | Very low | 101 Ų | 101 | 148.4 Ų | 148.4 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 61.3 | 151.6 | 162.7 | 67.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1516 | K | 29.7 | Very low | 27.4 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 79% | 0.787 | 75% | 0.754 | S | S | * | * | cis | -159.4 | 164.9 | -14.8 | -113.3 | 170.5 | -179.2 | 179.3 | 0 | 109.8 | ||||
| 1517 | L | 28.8 | Very low | 27.6 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 16.1 | 150.7 | 142.3 | -58.6 | 165.1 | 0 | 0 | 0 | 119.8 | ||||
| 1518 | S | 25.4 | Very low | 27.8 | Very low | 78 Ų | 78 | 144 Ų | 144 | 55% | 0.545 | 74% | 0.741 | S | S | . | * | cis | 163.7 | 169.9 | -21.9 | 53.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1519 | D | 27.6 | Very low | 27.9 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | 73.3 | 149 | 161.3 | -52.7 | -55.7 | 0 | 0 | 0 | 120.4 | ||||
| 1520 | S | 24.8 | Very low | 27.9 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -98.7 | 144.2 | -164.1 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1521 | N | 29.5 | Very low | 28 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | -168.4 | 170 | 125.9 | -114.1 | -61.8 | 0 | 0 | 0 | 115 | |||||
| 1522 | S | 24.8 | Very low | 28.2 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | trans | -84 | 131.1 | 175.8 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1523 | N | 30.9 | Very low | 28.1 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | -176.4 | 119.6 | 128.6 | -89.9 | -37.1 | 0 | 0 | 0 | 108.6 | |||||
| 1524 | K | 25.3 | Very low | 28.3 | Very low | 170 Ų | 170 | 137 Ų | 137 | 74% | 0.739 | 73% | 0.73 | S | S | * | * | 68.2 | 102.4 | 72.1 | -78.4 | -177.7 | 177.7 | 164.3 | 0 | 115 | |||||
| 1525 | K | 25 | Very low | 28.1 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 70% | 0.7 | 72% | 0.724 | S | S | * | * | 86.4 | 140.2 | 119.3 | -79.5 | 177.2 | 139.7 | -142.3 | 0 | 120.7 | |||||
| 1526 | Q | 27 | Very low | 27.9 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | trans | 72.9 | 141.7 | 147.4 | -70.8 | 165.1 | -106.9 | 0 | 0 | 115.9 | ||||
| 1527 | S | 27.9 | Very low | 27.6 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | cis | -166 | 146.6 | -10.8 | 42.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1528 | T | 30.4 | Very low | 27.5 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | S | Bend | -177.1 | 157.4 | 72.5 | 41.7 | 0 | 0 | 0 | 0 | 107.7 | |||
| 1529 | L | 28 | Very low | 27.5 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 72% | 0.723 | 74% | 0.744 | S | S | * | * | cis | -128.9 | 131.5 | -1.2 | -70.7 | 90.6 | 0 | 0 | 0 | 108.3 | ||||
| 1530 | N | 30 | Very low | 27.3 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 67% | 0.674 | 74% | 0.735 | S | S | * | * | 72.1 | 142.3 | 102.8 | -54.7 | -15 | 0 | 0 | 0 | 115.8 | |||||
| 1531 | F | 31.7 | Very low | 27.2 | Very low | 181 Ų | 181 | 135 Ų | 135 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | cis | -171.4 | 162.7 | 2.4 | -116.2 | -159.6 | 0 | 0 | 0 | 108 | ||||
| 1532 | V | 29.4 | Very low | 27 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | cis | -170.4 | 148 | -19.2 | 75.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1533 | V | 30.1 | Very low | 27 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | 30.2 | 127 | 148.3 | 175.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1534 | K | 27.5 | Very low | 26.6 | Very low | 202 Ų | 202 | 142 Ų | 142 | 88% | 0.878 | 75% | 0.749 | S | S | * | * | -172.1 | 157.5 | 76.8 | -148.2 | 162.3 | -171.7 | 179 | 0 | 112.9 | |||||
| 1535 | G | 25.7 | Very low | 26.7 | Very low | 65 Ų | 65 | 138.9 Ų | 138.9 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | trans | -136.1 | 178 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1536 | N | 27 | Very low | 26.6 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | -158.2 | 119.2 | 169.3 | -139.1 | 39.2 | 0 | 0 | 0 | 110.3 | ||||
| 1537 | E | 22 | Very low | 26.6 | Very low | 189 Ų | 189 | 138.2 Ų | 138.2 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -91.9 | 136.7 | 168.2 | -63.3 | 178 | 129.9 | 0 | 0 | 109.5 | ||||
| 1538 | I | 27.2 | Very low | 26.7 | Very low | 161 Ų | 161 | 142 Ų | 142 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | -134.8 | 132.8 | 153.3 | -65.3 | -173.4 | 0 | 0 | 0 | 108.1 | ||||
| 1539 | S | 25.6 | Very low | 26.3 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | -98.8 | 132.6 | -165.8 | 55.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1540 | S | 23.7 | Very low | 26.3 | Very low | 93 Ų | 93 | 143.6 Ų | 143.6 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | 71.9 | 160.2 | 135.6 | 80 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1541 | N | 23.5 | Very low | 26.1 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | trans | 70.2 | 108.5 | 159.4 | -67.5 | -57.8 | 0 | 0 | 0 | 117 | ||||
| 1542 | K | 23.6 | Very low | 25.9 | Very low | 184 Ų | 184 | 142 Ų | 142 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | 68.3 | 107.8 | 82.5 | -72.6 | -175.8 | -168.6 | 174.7 | 0 | 113.6 | |||||
| 1543 | T | 25.3 | Very low | 25.6 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | -160.5 | 154.7 | 128.1 | 13.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1544 | F | 23.5 | Very low | 25.4 | Very low | 198 Ų | 198 | 145.3 Ų | 145.3 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -85.5 | 137.2 | 171.9 | -111.9 | -114.7 | 0 | 0 | 0 | 111 | ||||
| 1545 | S | 27 | Very low | 25.1 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -158.7 | 124 | 152.3 | 51 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1546 | Q | 22.6 | Very low | 25 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | cis | 66.7 | 67.9 | 38.9 | -67.2 | -158.6 | -23.7 | 0 | 0 | 115.5 | ||||
| 1547 | V | 27.2 | Very low | 25 | Very low | 126 Ų | 126 | 141 Ų | 141 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | -136 | 103.7 | 155.2 | 177.6 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 1548 | K | 29.4 | Very low | 25 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | 65.8 | 124.1 | 95.5 | -67.9 | 176.7 | 178.9 | -179.5 | 0 | 113.2 | |||||
| 1549 | D | 21.4 | Very low | 25 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | 73.6 | 86.7 | 55.9 | -62.8 | -47.7 | 0 | 0 | 0 | 113.5 | |||||
| 1550 | T | 28.5 | Very low | 25 | Very low | 142 Ų | 142 | 138 Ų | 138 | 87% | 0.871 | 77% | 0.766 | S | S | * | * | trans | 177 | 154.5 | 144.4 | 35.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1551 | S | 26.6 | Very low | 25.2 | Very low | 89 Ų | 89 | 142.4 Ų | 142.4 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | cis | -170.1 | 142.1 | -27.6 | 49.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1552 | Q | 27.9 | Very low | 25.2 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | 38.6 | 134.5 | 141.3 | -63.5 | 171.2 | -64.4 | 0 | 0 | 122 | ||||
| 1553 | Q | 23.4 | Very low | 25.3 | Very low | 199 Ų | 199 | 142 Ų | 142 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -74.6 | 135.1 | 146.7 | -63.1 | 167.7 | -52 | 0 | 0 | 109.7 | ||||
| 1554 | S | 24.5 | Very low | 25.4 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | -169.3 | 120 | 148.4 | 57.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1555 | S | 22.6 | Very low | 25.5 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 47 | 105.5 | 143.2 | 63 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1556 | S | 22.7 | Very low | 25.6 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | 71.9 | 165.7 | 124.1 | 72.1 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1557 | V | 26.1 | Very low | 25.8 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | trans | 73.6 | 91.8 | 169.9 | -166.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1558 | L | 23.1 | Very low | 25.9 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | 39.3 | 149.9 | 113 | -85.9 | 166.1 | 0 | 0 | 0 | 121.8 | |||||
| 1559 | L | 27.6 | Very low | 25.6 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 79.1 | 77.1 | 155.8 | -65.8 | 158 | 0 | 0 | 0 | 118.9 | ||||
| 1560 | S | 23.9 | Very low | 25.7 | Very low | 89 Ų | 89 | 147.4 Ų | 147.4 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | 53.9 | 154.9 | 105.2 | 78.2 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1561 | K | 28.9 | Very low | 25.9 | Very low | 184 Ų | 184 | 144.7 Ų | 144.7 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | 81.2 | 134.1 | -173.4 | -50.3 | 160.3 | -171.1 | 171.9 | 0 | 111.6 | ||||
| 1562 | N | 22.7 | Very low | 25.7 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | cis | -84.6 | 102 | 15.5 | -70 | -34.7 | 0 | 0 | 0 | 115.4 | ||||
| 1563 | V | 26.8 | Very low | 25.5 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 74% | 0.739 | 78% | 0.775 | S | S | * | * | trans | -103.1 | 100.6 | 146.6 | 170.3 | 0 | 0 | 0 | 0 | 105 | ||||
| 1564 | N | 26.1 | Very low | 25.8 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -95.5 | 95.8 | 156.9 | -150.5 | 9.9 | 0 | 0 | 0 | 106.9 | ||||
| 1565 | V | 27 | Very low | 25.9 | Very low | 99 Ų | 99 | 143.1 Ų | 143.1 | 60% | 0.6 | 77% | 0.773 | S | S | * | * | trans | 15.9 | 128.2 | 137.5 | 173.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1566 | K | 28.2 | Very low | 26.3 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | cis | -165 | 170.8 | 0.9 | -118.7 | 178.6 | -164.4 | 171.8 | 0 | 110.9 | ||||
| 1567 | V | 27.5 | Very low | 26.8 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -58.8 | 134 | 164.6 | 175.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1568 | K | 28.5 | Very low | 27.1 | Very low | 205 Ų | 205 | 147.2 Ų | 147.2 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | trans | -163.9 | 178.5 | 138.8 | -114.2 | 176.6 | -177.6 | -175.4 | 0 | 113 | ||||
| 1569 | K | 24.5 | Very low | 27.5 | Very low | 202 Ų | 202 | 145.8 Ų | 145.8 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | trans | -88.4 | 175.6 | -162.9 | -60 | 179.5 | 177.3 | -179.2 | 0 | 114 | ||||
| 1570 | K | 22.8 | Very low | 27.5 | Very low | 203 Ų | 203 | 147.7 Ų | 147.7 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -10.1 | 157.2 | 153.4 | -100.5 | -168.1 | 176.4 | -168.9 | 0 | 117.8 | ||||
| 1571 | P | 31.9 | Very low | 27.8 | Very low | 85 Ų | 85 | 149 Ų | 149 | 55% | 0.552 | 77% | 0.774 | S | S | * | * | cis | -138.6 | -165.2 | 0.3 | 38.8 | -17.7 | 0 | 0 | 0 | 114.9 | ||||
| 1572 | E | 23.3 | Very low | 27.7 | Very low | 167 Ų | 167 | 151.2 Ų | 151.2 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | 67.4 | 138 | 145.9 | -81 | 140.3 | -129.4 | 0 | 0 | 123.1 | ||||
| 1573 | S | 23.7 | Very low | 28.4 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | 29.3 | 136.4 | 146.2 | 75.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1574 | S | 29.9 | Very low | 28.3 | Very low | 103 Ų | 103 | 150.4 Ų | 150.4 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | cis | -164.6 | 159.4 | 34.1 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1575 | N | 25.4 | Very low | 28.4 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | 2.6 | 128.2 | 150.5 | -57.8 | -35.8 | 0 | 0 | 0 | 119.3 | ||||
| 1576 | A | 31.9 | Very low | 28.4 | Very low | 85 Ų | 85 | 155.6 Ų | 155.6 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | -169.9 | 116.5 | 106.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1577 | K | 32.6 | Very low | 28.4 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | 67.4 | 141 | 148.4 | -57.9 | 172.2 | -175.8 | 172.1 | 0 | 117.8 | ||||
| 1578 | Q | 33.2 | Very low | 28.3 | Very low | 150 Ų | 150 | 154.7 Ų | 154.7 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | cis | -160.1 | 143.6 | -7.1 | -119.9 | 161.5 | -11.5 | 0 | 0 | 111.4 | ||||
| 1579 | N | 30.5 | Very low | 28.4 | Very low | 123 Ų | 123 | 155.2 Ų | 155.2 | 66% | 0.658 | 78% | 0.775 | S | S | * | * | trans | 33.8 | 146.9 | 133.9 | -64 | -12.6 | 0 | 0 | 0 | 122.1 | ||||
| 1580 | K | 28.8 | Very low | 28.6 | Very low | 181 Ų | 181 | 151.9 Ų | 151.9 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | cis | -166.1 | 173.3 | -7.8 | -113 | 179.1 | -177.8 | -174.8 | 0 | 109.3 | ||||
| 1581 | P | 30.7 | Very low | 29.1 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | -104.2 | -168 | -167.7 | 42.1 | -38.3 | 0 | 0 | 0 | 116 | ||||
| 1582 | R | 26.1 | Very low | 29.1 | Very low | 232 Ų | 232 | 152.5 Ų | 152.5 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | trans | -27.9 | 165.7 | 156.6 | -67.4 | 179 | 177.1 | -175.6 | -0.7 | 116 | ||||
| 1583 | P | 37.7 | Very low | 29.5 | Very low | 116 Ų | 116 | 150.6 Ų | 150.6 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | cis | -139.4 | -172.5 | -30.5 | 38.6 | -19.7 | 0 | 0 | 0 | 114.1 | ||||
| 1584 | N | 24.4 | Very low | 29.6 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | trans | 44 | 101.7 | 152.9 | -93.8 | 3.2 | 0 | 0 | 0 | 121.8 | ||||
| 1585 | K | 28.2 | Very low | 29.6 | Very low | 207 Ų | 207 | 151.4 Ų | 151.4 | 90% | 0.9 | 76% | 0.758 | S | S | * | * | trans | -154.4 | 121.4 | 131.4 | -95.5 | 173.4 | -174.8 | 177.9 | 0 | 105 | ||||
| 1586 | N | 26.4 | Very low | 29.6 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | cis | 72 | 129.5 | 47.3 | -152.9 | 5.2 | 0 | 0 | 0 | 114.1 | ||||
| 1587 | S | 27.5 | Very low | 29.5 | Very low | 81 Ų | 81 | 148.9 Ų | 148.9 | 57% | 0.566 | 75% | 0.748 | S | S | * | * | trans | 73.3 | 104.7 | 169.4 | -177.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1588 | R | 27 | Very low | 29.4 | Very low | 228 Ų | 228 | 149.1 Ų | 149.1 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | 55.5 | 130.7 | 127.9 | -54.6 | 169.2 | 176.2 | 161.6 | -5 | 118.3 | |||||
| 1589 | R | 29.2 | Very low | 29.2 | Very low | 215 Ų | 215 | 150.3 Ų | 150.3 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | -168.3 | 158.4 | 60.5 | -120.5 | 161.6 | -172.2 | 161.9 | 0.5 | 110 | |||||
| 1590 | N | 29.3 | Very low | 29.2 | Very low | 133 Ų | 133 | 149.9 Ų | 149.9 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 39.7 | 141.6 | 140.3 | -57.1 | 4.9 | 0 | 0 | 0 | 120.1 | ||||
| 1591 | I | 33.3 | Very low | 29.2 | Very low | 132 Ų | 132 | 145.9 Ų | 145.9 | 68% | 0.677 | 74% | 0.737 | S | S | * | * | cis | -161 | 148.7 | 28.2 | -143.2 | 154.7 | 0 | 0 | 0 | 112.1 | ||||
| 1592 | K | 32.1 | Very low | 29.2 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 74% | 0.735 | 74% | 0.738 | S | S | * | * | trans | 40.9 | 114.4 | 145.5 | -74.7 | 179.9 | -176.2 | -176 | 0 | 120.3 | ||||
| 1593 | T | 30.7 | Very low | 29.1 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | 86 | 156.8 | 98.8 | 61.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1594 | S | 27.2 | Very low | 28.8 | Very low | 84 Ų | 84 | 148.1 Ų | 148.1 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | cis | 179.2 | 164.1 | -26.1 | 61.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1595 | I | 29.8 | Very low | 28.8 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | 64.5 | 106.5 | 144.9 | -69.8 | 160.9 | 0 | 0 | 0 | 117.6 | ||||
| 1596 | S | 25.7 | Very low | 28.9 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | 14.4 | 153.1 | 137.3 | 78.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1597 | S | 29.8 | Very low | 29 | Very low | 86 Ų | 86 | 145.1 Ų | 145.1 | 60% | 0.601 | 72% | 0.721 | S | S | * | * | -178.7 | 165 | 91.5 | 62.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1598 | K | 30.6 | Very low | 29.1 | Very low | 189 Ų | 189 | 145 Ų | 145 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | trans | 67.3 | 163.3 | 156.7 | -70.6 | 164.4 | -174.3 | 175 | 0 | 116.6 | ||||
| 1599 | K | 27.4 | Very low | 29.3 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 76% | 0.761 | 72% | 0.716 | S | S | * | * | cis | 171.6 | 151.3 | -37.4 | -129.2 | -170.6 | 165.7 | -165.3 | 0 | 105.4 | ||||
| 1600 | N | 30.8 | Very low | 29.4 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 60% | 0.604 | 71% | 0.711 | S | S | * | * | trans | 61.8 | 173 | 159.9 | -68.3 | 57.4 | 0 | 0 | 0 | 113.9 | ||||
| 1601 | D | 29.9 | Very low | 29.4 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 52% | 0.524 | 71% | 0.706 | S | S | . | * | cis | -158.2 | 153.4 | -30.2 | -111.7 | -11.8 | 0 | 0 | 0 | 108.6 | ||||
| 1602 | R | 29.6 | Very low | 29 | Very low | 208 Ų | 208 | 134.6 Ų | 134.6 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | 66 | 137.2 | 159 | -58.3 | 147.6 | -152.8 | -147.2 | 2.4 | 115 | ||||
| 1603 | N | 24.6 | Very low | 29 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | 64.5 | 147.9 | 53.7 | -81.8 | -10.7 | 0 | 0 | 0 | 114.8 | |||||
| 1604 | I | 30.6 | Very low | 28.7 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 77% | 0.774 | 71% | 0.705 | S | S | * | * | trans | 75.3 | 91 | -176.5 | -54.2 | 168.3 | 0 | 0 | 0 | 110 | ||||
| 1605 | S | 24.5 | Very low | 28.8 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | 57.8 | 124.1 | 61.3 | -168.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1606 | L | 30.9 | Very low | 28.8 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 69% | 0.686 | 71% | 0.709 | S | S | * | * | 172.5 | 132.5 | 121.3 | -92.7 | 164.3 | 0 | 0 | 0 | 110.1 | |||||
| 1607 | R | 28 | Very low | 28.9 | Very low | 224 Ų | 224 | 133.9 Ų | 133.9 | 85% | 0.845 | 70% | 0.703 | S | S | * | * | trans | 63.1 | 151.6 | 144.5 | -71.2 | -178.3 | 169.3 | 176.9 | -3.6 | 119.1 | ||||
| 1608 | S | 30.9 | Very low | 29.1 | Very low | 78 Ų | 78 | 138 Ų | 138 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | cis | -177.3 | 157.3 | -19.7 | 54.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1609 | K | 31.1 | Very low | 28.9 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | trans | 67.6 | 155 | 150.2 | -71.2 | 168.1 | 176 | -169 | 0 | 114.4 | ||||
| 1610 | N | 30.8 | Very low | 29.2 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 70% | 0.695 | 71% | 0.714 | S | S | * | * | cis | -152.9 | -177.3 | -9.8 | -124.4 | 6.2 | 0 | 0 | 0 | 111.2 | ||||
| 1611 | S | 29.7 | Very low | 29.3 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 60% | 0.601 | 72% | 0.719 | S | S | * | * | trans | 4.8 | 126 | 154 | 55.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 1612 | A | 25.3 | Very low | 29.4 | Very low | 91 Ų | 91 | 139.6 Ų | 139.6 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | 70.2 | 167.6 | 61.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1613 | I | 31.8 | Very low | 29.6 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | 74.7 | 107.7 | -167.9 | -51.5 | 161 | 0 | 0 | 0 | 110.2 | ||||
| 1614 | S | 24.5 | Very low | 30 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | cis | 79.2 | 148.9 | 37.1 | 87 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1615 | E | 28.5 | Very low | 30.1 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | 68.6 | 156.4 | -178.4 | -58.4 | -165.3 | -154.9 | 0 | 0 | 115.7 | ||||
| 1616 | N | 29 | Very low | 30.5 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | cis | -149.5 | 130.4 | -22.3 | -122.8 | -38 | 0 | 0 | 0 | 113.3 | ||||
| 1617 | S | 29.2 | Very low | 30.6 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | trans | 76.6 | 161.2 | 131 | 84.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1618 | Q | 33.4 | Very low | 30.6 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | trans | 63.6 | 102.3 | 163.6 | -55.9 | 177 | 37.3 | 0 | 0 | 117 | ||||
| 1619 | K | 27.1 | Very low | 30.6 | Very low | 202 Ų | 202 | 139.5 Ų | 139.5 | 88% | 0.878 | 76% | 0.762 | S | S | * | * | 58.1 | 129.1 | 64.9 | -71.2 | -174.8 | 175.3 | 173.4 | 0 | 113.7 | |||||
| 1620 | P | 33.6 | Very low | 30.6 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | -144.2 | 160.4 | 81.6 | 38.9 | -22.8 | 0 | 0 | 0 | 119 | |||||
| 1621 | T | 31.8 | Very low | 30.3 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 69% | 0.693 | 76% | 0.761 | S | S | * | * | trans | 65.7 | 120.1 | 150 | 46.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1622 | K | 31.8 | Very low | 30.2 | Very low | 179 Ų | 179 | 137 Ų | 137 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | trans | 63.5 | 90.9 | 131.2 | -60.1 | 173.6 | -177.6 | 176.8 | 0 | 120 | ||||
| 1623 | N | 35.2 | Very low | 30.4 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | 172.7 | 154.1 | 95.4 | -89 | -17.6 | 0 | 0 | 0 | 114.6 | |||||
| 1624 | A | 32.6 | Very low | 30 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | 3.1 | 106.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1625 | G | 31.7 | Very low | 30.7 | Very low | 78 Ų | 78 | 146 Ų | 146 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 140.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1626 | R | 34.6 | Very low | 30.6 | Very low | 254 Ų | 254 | 144 Ų | 144 | 96% | 0.958 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 133.5 | 179.3 | -89.8 | -179.5 | 168.3 | 159.4 | -3.3 | 112.4 | L1628 | R1626-L1628 PolarHBondContact O-N 3.35Š|
| 1627 | T | 31.2 | Very low | 30.5 | Very low | 117 Ų | 117 | 149 Ų | 149 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 120 | 172.4 | 29.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1628 | L | 29.1 | Very low | 30.6 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | -110.9 | 110.2 | 150.8 | -83.4 | 166.9 | 0 | 0 | 0 | 107.4 | R1626 | R1626-L1628 PolarHBondContact O-N 3.35Š| ||
| 1629 | H | 30.7 | Very low | 30.4 | Very low | 168 Ų | 168 | 149 Ų | 149 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | trans | -143.3 | 145.3 | -176.3 | -89.1 | 17 | 0 | 0 | 0 | 109 | ||||
| 1630 | S | 30.5 | Very low | 30.5 | Very low | 101 Ų | 101 | 146.5 Ų | 146.5 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | cis | -153.8 | 150 | -9.1 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1631 | V | 24.5 | Very low | 30.4 | Very low | 127 Ų | 127 | 152 Ų | 152 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -117.8 | 158.2 | 154.3 | 174.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1632 | N | 28.4 | Very low | 30.3 | Very low | 119 Ų | 119 | 151.4 Ų | 151.4 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | 93.7 | 151.9 | -177 | -55.4 | -60.8 | 0 | 0 | 0 | 114.7 | ||||
| 1633 | K | 29.5 | Very low | 30.1 | Very low | 183 Ų | 183 | 148.6 Ų | 148.6 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | cis | -163.1 | 174.7 | -14.2 | -112 | 164.7 | -173.8 | 153.5 | 0 | 109.7 | ||||
| 1634 | R | 23.9 | Very low | 30 | Very low | 233 Ų | 233 | 145.7 Ų | 145.7 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -54.8 | 170.7 | 154.1 | -86.9 | -174.5 | 176.6 | -169.7 | -0.5 | 112.5 | ||||
| 1635 | P | 38.6 | Very low | 29.8 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | cis | -146.7 | -164 | -32.2 | 41.6 | -22.1 | 0 | 0 | 0 | 114.5 | ||||
| 1636 | V | 27 | Very low | 29.6 | Very low | 125 Ų | 125 | 154.2 Ų | 154.2 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | trans | 87.2 | 128.4 | 145.3 | 159.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1637 | R | 27.2 | Very low | 29.5 | Very low | 226 Ų | 226 | 151.3 Ų | 151.3 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | 64.9 | 109.3 | 153.5 | -86.1 | 177.2 | 178.8 | 175.2 | -1 | 123.9 | ||||
| 1638 | S | 31.2 | Very low | 29.5 | Very low | 96 Ų | 96 | 150.8 Ų | 150.8 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | 55.7 | 119.1 | 124 | 63.6 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1639 | N | 29.2 | Very low | 29.7 | Very low | 157 Ų | 157 | 148.7 Ų | 148.7 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | 38.7 | 120 | 135.7 | -61.9 | -2.5 | 0 | 0 | 0 | 121.2 | ||||
| 1640 | V | 29.3 | Very low | 29.8 | Very low | 151 Ų | 151 | 148.4 Ų | 148.4 | 92% | 0.915 | 76% | 0.763 | S | S | * | * | -161.7 | 169.9 | 108.2 | 138.5 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1641 | R | 29.7 | Very low | 29.8 | Very low | 231 Ų | 231 | 153.5 Ų | 153.5 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -91.4 | 165.2 | -164.8 | -75.8 | 176.1 | 161 | 167.5 | -6.5 | 115.8 | ||||
| 1642 | S | 30.4 | Very low | 30.2 | Very low | 100 Ų | 100 | 152.2 Ų | 152.2 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 78.5 | 110.5 | 133.9 | 52.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1643 | S | 28.4 | Very low | 30.3 | Very low | 119 Ų | 119 | 152.2 Ų | 152.2 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | 77.8 | 158.2 | 133 | 84.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1644 | S | 31.6 | Very low | 30.1 | Very low | 98 Ų | 98 | 150.3 Ų | 150.3 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | cis | -153.3 | 157.6 | 13.1 | 77.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1645 | R | 30 | Very low | 31.1 | Very low | 216 Ų | 216 | 144.6 Ų | 144.6 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | trans | 51.9 | 117.8 | 140.3 | -74.4 | -178.1 | 166.1 | -176.2 | -3.4 | 123.7 | ||||
| 1646 | L | 27.2 | Very low | 30.7 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | 64.2 | 122.6 | 120.1 | -63 | 168.2 | 0 | 0 | 0 | 122 | |||||
| 1647 | K | 31.9 | Very low | 31 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | -160.5 | 112.3 | 119.4 | -101.6 | 164.9 | -176.7 | 177.1 | 0 | 108.2 | |||||
| 1648 | T | 32.2 | Very low | 31.1 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | 65.6 | 139.9 | 92 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1649 | N | 31.8 | Very low | 31.2 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | cis | -168.1 | 162.5 | 14.8 | -133.9 | -24.9 | 0 | 0 | 0 | 114 | ||||
| 1650 | K | 32.5 | Very low | 31.4 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 70% | 0.704 | 75% | 0.754 | S | S | * | * | trans | 68.6 | 150.6 | 154.8 | -63.2 | 174.1 | -176.9 | 177.6 | 0 | 118 | ||||
| 1651 | R | 32.2 | Very low | 31.6 | Very low | 207 Ų | 207 | 149.7 Ų | 149.7 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | cis | -158.4 | 143.2 | -5.8 | -124.4 | -176.2 | 173.2 | 170 | -5.1 | 114.4 | ||||
| 1652 | T | 33 | Very low | 32.1 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | trans | 25.1 | 137.4 | 135.8 | 57.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 1653 | T | 29.4 | Very low | 31.9 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | cis | 95 | 123.5 | 25.2 | 66.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 1654 | L | 26.4 | Very low | 32.1 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | 63.9 | 148.6 | 155.4 | -69.4 | 160.9 | 0 | 0 | 0 | 118 | ||||
| 1655 | P | 44.6 | Very low | 32 | Very low | 114 Ų | 114 | 151.5 Ų | 151.5 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | -103.7 | 162.7 | 58.6 | 1.1 | 21.6 | 0 | 0 | 0 | 113.9 | |||||
| 1656 | D | 29.1 | Very low | 32.1 | Very low | 131 Ų | 131 | 149.3 Ų | 149.3 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | cis | 80.4 | 142.6 | 47.3 | -68.4 | -36.2 | 0 | 0 | 0 | 114.5 | ||||
| 1657 | V | 33 | Very low | 32.3 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 70% | 0.697 | 75% | 0.751 | S | S | * | * | cis | -152.6 | 146.3 | 10.7 | 101.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1658 | L | 29.7 | Very low | 32.2 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | 17.5 | 139.5 | 152.1 | -56.7 | 168.2 | 0 | 0 | 0 | 123.3 | ||||
| 1659 | S | 32.9 | Very low | 32.1 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | -168 | 153.9 | 102.7 | 84.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1660 | R | 34.4 | Very low | 32 | Very low | 225 Ų | 225 | 144.6 Ų | 144.6 | 85% | 0.849 | 76% | 0.757 | S | S | * | * | trans | 67.8 | 105.8 | 153.9 | -66.1 | 177.6 | -179.5 | -152.1 | -0.9 | 123.1 | ||||
| 1661 | R | 34.1 | Very low | 31.8 | Very low | 236 Ų | 236 | 141 Ų | 141 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | trans | 70 | 153.6 | 134.2 | -65.9 | -175.3 | 173.6 | -171.2 | -2.1 | 120.4 | ||||
| 1662 | P | 39.6 | Very low | 31.7 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | cis | -136.1 | 178.5 | -40.8 | 39.8 | -23.5 | 0 | 0 | 0 | 113.8 | ||||
| 1663 | S | 26.9 | Very low | 31.4 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -113.7 | -168.4 | 175.3 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1664 | L | 32.2 | Very low | 31.3 | Very low | 140 Ų | 140 | 146.5 Ų | 146.5 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | 103.8 | 122.3 | 171.5 | -56.9 | 168.2 | 0 | 0 | 0 | 113.2 | ||||
| 1665 | R | 28.9 | Very low | 31.2 | Very low | 221 Ų | 221 | 147.1 Ų | 147.1 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | 65.5 | 128.5 | 65.9 | -69.1 | -173.3 | 173.9 | 174.4 | -3.3 | 110.6 | |||||
| 1666 | M | 31 | Very low | 30.5 | Very low | 170 Ų | 170 | 149.4 Ų | 149.4 | 84% | 0.837 | 77% | 0.773 | S | S | * | * | cis | -150.6 | 169.4 | 44 | -95.3 | 171.9 | -171.8 | 0 | 0 | 110.1 | ||||
| 1667 | S | 31.4 | Very low | 30.8 | Very low | 98 Ų | 98 | 149.3 Ų | 149.3 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | cis | -162.9 | 154 | 8.6 | -112.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1668 | A | 31.2 | Very low | 30.9 | Very low | 92 Ų | 92 | 149.4 Ų | 149.4 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | 64.1 | 160 | 144.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1669 | V | 29.2 | Very low | 31 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | cis | -161.7 | 150.3 | -21.1 | 125.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1670 | I | 30.8 | Very low | 30.9 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | trans | 36.8 | 130.1 | 155.1 | -58.6 | 171.7 | 0 | 0 | 0 | 122 | ||||
| 1671 | A | 28.4 | Very low | 30.8 | Very low | 87 Ų | 87 | 147.7 Ų | 147.7 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | -23.3 | 176.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1672 | R | 29.4 | Very low | 30.7 | Very low | 223 Ų | 223 | 140.7 Ų | 140.7 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | 86 | 110.5 | 157.6 | -86.1 | -176.3 | 176 | 163.1 | -1.1 | 119.5 | ||||
| 1673 | Q | 27.7 | Very low | 30.4 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | 64.8 | 126.2 | 108.2 | -169.9 | 175 | 27.9 | 0 | 0 | 120.3 | |||||
| 1674 | K | 27.2 | Very low | 30.7 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | trans | 78.9 | 117.5 | 158.9 | -82 | 176.2 | 174.1 | -174.7 | 0 | 120.3 | ||||
| 1675 | L | 24.2 | Very low | 30.6 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | 77.3 | 159.8 | 129 | -66.6 | 168.3 | 0 | 0 | 0 | 121.2 | |||||
| 1676 | L | 28.5 | Very low | 30.8 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | 82.6 | 98.2 | 163.7 | -67.4 | 160.4 | 0 | 0 | 0 | 119.4 | ||||
| 1677 | T | 36.6 | Very low | 30.8 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -84.2 | 143.7 | 151.5 | 49 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1678 | P | 35.4 | Very low | 30.8 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -129 | 148.6 | 133.7 | 11 | 10.5 | 0 | 0 | 0 | 111.1 | ||||
| 1679 | M | 30.3 | Very low | 30.7 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | cis | 94.1 | 114.1 | 31.6 | -79.8 | -147 | 71.4 | 0 | 0 | 116.2 | ||||
| 1680 | S | 31.7 | Very low | 30.7 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -177.1 | 130.2 | 145.1 | 39.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 1681 | Q | 31.3 | Very low | 30.6 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | cis | -155.4 | 171.3 | -4.3 | -96.6 | -162.4 | 76.2 | 0 | 0 | 106.6 | ||||
| 1682 | S | 32.8 | Very low | 31.1 | Very low | 89 Ų | 89 | 137.4 Ų | 137.4 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | cis | -173 | 168.7 | -11.7 | 46.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1683 | S | 33.1 | Very low | 31.1 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | cis | -166.5 | 170 | -33.9 | 60.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1684 | S | 32.9 | Very low | 31.1 | Very low | 102 Ų | 102 | 141 Ų | 141 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 72.2 | 151.1 | 165.5 | 85.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1685 | N | 31.2 | Very low | 31.3 | Very low | 143 Ų | 143 | 142 Ų | 142 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | cis | -165 | 156.8 | -20.2 | -110.9 | -10 | 0 | 0 | 0 | 112.7 | ||||
| 1686 | S | 32.6 | Very low | 31.6 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 62.3 | 159.6 | 151.3 | 56.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1687 | T | 30.7 | Very low | 31.7 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | cis | -168.3 | 163 | -31.4 | -71.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1688 | S | 32.1 | Very low | 31.5 | Very low | 101 Ų | 101 | 150.3 Ų | 150.3 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | 66.4 | 119.9 | 164.7 | 39.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1689 | Q | 27.9 | Very low | 31.3 | Very low | 187 Ų | 187 | 152.2 Ų | 152.2 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | 65.9 | 115.8 | 75.9 | -75.5 | -165.6 | -5 | 0 | 0 | 116 | |||||
| 1690 | V | 29.1 | Very low | 31.3 | Very low | 136 Ų | 136 | 151.5 Ų | 151.5 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | 176 | 149.3 | 117.3 | 150.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 1691 | T | 28.9 | Very low | 31.3 | Very low | 131 Ų | 131 | 153.9 Ų | 153.9 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -113.8 | -173.4 | 179.4 | 68.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1692 | P | 38.8 | Very low | 31.3 | Very low | 119 Ų | 119 | 152.7 Ų | 152.7 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | -114.5 | 170.5 | -117.3 | 27.7 | -6.3 | 0 | 0 | 0 | 114.8 | |||||
| 1693 | K | 29.4 | Very low | 31.2 | Very low | 212 Ų | 212 | 157.2 Ų | 157.2 | 92% | 0.922 | 82% | 0.819 | S | S | * | * | trans | -137.5 | 141 | 165.4 | -83.5 | -174.2 | 177.7 | 170 | 0 | 113.6 | ||||
| 1694 | R | 28.4 | Very low | 31 | Very low | 239 Ų | 239 | 161.7 Ų | 161.7 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -76.5 | 149.7 | 172.2 | -70 | 173.1 | 165.6 | 168.2 | -8.1 | 112.1 | ||||
| 1695 | K | 31.8 | Very low | 30.9 | Very low | 189 Ų | 189 | 166.7 Ų | 166.7 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | -173.2 | 158 | 115.7 | -99.9 | 172.5 | -179.5 | -171.8 | 0 | 108 | |||||
| 1696 | W | 29.7 | Very low | 30.8 | Very low | 318 Ų | 318 | 168.8 Ų | 168.8 | 100% | 1.205 | 85% | 0.845 | S | S | * | * | cis | -87.6 | 0 | 13.4 | -72.4 | 38.4 | 0 | 0 | 0 | 113.3 |
Retrieved 1,696 of 1,696 residues in 1122.5 ms
(Link to these results)