| 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 | L | 34.9 | Very low | 41.5 | Very low | 231 Ų | 231 | 124.9 Ų | 124.9 | 100% | 1.209 | 67% | 0.67 | S | S | * | * | 0 | 93.3 | 0 | -96.3 | 74.8 | 0 | 0 | 0 | 109.1 | |||||
| 2 | C | 30.6 | Very low | 42.2 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 91% | 0.912 | 67% | 0.669 | S | S | * | * | trans | -80.3 | 118.2 | 174.1 | -79.4 | 0 | 0 | 0 | 0 | 109.9 | R4 | C2-R4 PolarHBondContact O-N 3.07Å; C2-R4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | R | 37.5 | Very low | 43.1 | Very low | 254 Ų | 254 | 125.8 Ų | 125.8 | 96% | 0.958 | 66% | 0.658 | S | S | * | * | trans | -63.9 | 107.9 | 167.2 | -113 | 176 | 176.3 | 179.3 | -1.2 | 108.1 | ||||
| 4 | R | 34.9 | Very low | 43.7 | Very low | 203 Ų | 203 | 117.1 Ų | 117.1 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | trans | -61.6 | 140 | 167.7 | -82.2 | -180 | 171 | 174 | -1.6 | 109.1 | C2 A6 | C2-R4 PolarHBondContact O-N 3.07Å; C2-R4 VanDerWaalsContact O-N 3.15Å; R4-A6 PolarHBondContact O-N 3.27Å | ||
| 5 | P | 41.6 | Very low | 44.1 | Very low | 97 Ų | 97 | 115.5 Ų | 115.5 | 63% | 0.63 | 61% | 0.605 | S | S | * | * | trans | -69.1 | 124.7 | 177 | 27.1 | -30.7 | 0 | 0 | 0 | 109.3 | G7 A8 | P5-G7 PolarHBondContact O-N 2.9Å; P5-A8 HydrophobicContact CG-CB 4.49Å; P5-A8 PolarHBondContact O-N 2.06Å | ||
| 6 | A | 46.9 | Very low | 44.4 | Very low | 66 Ų | 66 | 112.9 Ų | 112.9 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -53.2 | -24.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R4 A8 Q9 L10 | R4-A6 PolarHBondContact O-N 3.27Å; A6-A8 VanDerWaalsContact C-N 3.31Å; A6-A8 PolarHBondContact O-N 3.09Å; A6-Q9 PolarHBondContact O-N 3.14Å; A6-L10 PolarHBondContact O-N 3.07Å |
| 7 | G | 41.8 | Very low | 44.6 | Very low | 47 Ų | 47 | 111.8 Ų | 111.8 | 49% | 0.485 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.9 | -30.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P5 L11 | P5-G7 PolarHBondContact O-N 2.9Å; G7-L11 VanDerWaalsContact O-CB 3.31Å; G7-L11 WeakPolarHBondContact O-CB 3.41Å; G7-L11 PolarHBondContact O-N 3.27Å |
| 8 | A | 45.6 | Very low | 44.8 | Very low | 48 Ų | 48 | 109.7 Ų | 109.7 | 40% | 0.397 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -74.6 | -26.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P5 A6 R12 | P5-A8 HydrophobicContact CG-CB 4.49Å; P5-A8 PolarHBondContact O-N 2.06Å; A6-A8 VanDerWaalsContact C-N 3.31Å; A6-A8 PolarHBondContact O-N 3.09Å; A8-R12 WeakPolarHBondContact O-CB 3.15Å; A8-R12 VanDerWaalsContact O-CG 3.28Å; A8-R12 WeakPolarHBondContact O-CG 3.01Å; A8-R12 PolarHBondContact O-N 3.05Å; A8-R12 VanDerWaalsContact O-N 3.16Å |
| 9 | Q | 48.2 | Very low | 44.7 | Very low | 126 Ų | 126 | 109.3 Ų | 109.3 | 59% | 0.589 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -77.5 | -41.8 | 174.3 | -76.7 | -176.5 | -33 | 0 | 0 | 111.2 | A6 R12 V13 | A6-Q9 PolarHBondContact O-N 3.14Å; Q9-R12 PolarHBondContact O-N 3.49Å; Q9-V13 WeakPolarHBondContact O-CB 3.2Å; Q9-V13 VanDerWaalsContact O-CG2 3.26Å; Q9-V13 WeakPolarHBondContact O-CG2 3.18Å; Q9-V13 PolarHBondContact O-N 3.12Å |
| 10 | L | 47.8 | Very low | 44.2 | Very low | 92 Ų | 92 | 114.3 Ų | 114.3 | 48% | 0.482 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.1 | -43 | 173.3 | -85 | 153 | 0 | 0 | 0 | 112.2 | A6 R12 V13 A14 F319 | A6-L10 PolarHBondContact O-N 3.07Å; L10-R12 VanDerWaalsContact C-N 3.34Å; L10-R12 PolarHBondContact O-N 3.45Å; L10-V13 PolarHBondContact O-N 3.29Å; L10-A14 VanDerWaalsContact O-CB 3.26Å; L10-A14 WeakPolarHBondContact O-CB 3.01Å; L10-A14 PolarHBondContact O-N 2.97Å; L10-F319 HydrophobicContact CD2-CZ 4.29Å |
| 11 | L | 46.6 | Very low | 43.7 | Very low | 75 Ų | 75 | 113.5 Ų | 113.5 | 39% | 0.393 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.3 | -40.9 | 175.2 | -166.1 | 84 | 0 | 0 | 0 | 111.7 | G7 A14 L15 I318 | G7-L11 VanDerWaalsContact O-CB 3.31Å; G7-L11 WeakPolarHBondContact O-CB 3.41Å; G7-L11 PolarHBondContact O-N 3.27Å; L11-A14 PolarHBondContact O-N 3.06Å; L11-L15 HydrophobicContact CD2-CD1 4.33Å; L11-L15 HydrophobicContact CG-CD1 4.09Å; L11-L15 WeakPolarHBondContact O-CB 3.28Å; L11-L15 WeakPolarHBondContact O-CD1 3.33Å; L11-L15 WeakPolarHBondContact O-CG 3.07Å; L11-L15 PolarHBondContact O-N 3.45Å; L11-I318 HydrophobicContact CD1-CD1 3.44Å; L11-I318 VanDerWaalsContact CD1-CD1 3.44Å |
| 12 | R | 49.9 | Very low | 43.7 | Very low | 176 Ų | 176 | 105.9 Ų | 105.9 | 66% | 0.664 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68 | -39.3 | 175.9 | -81.5 | -179.3 | 177 | -156.8 | -2.2 | 112.5 | A8 Q9 L10 L15 C16 | A8-R12 WeakPolarHBondContact O-CB 3.15Å; A8-R12 VanDerWaalsContact O-CG 3.28Å; A8-R12 WeakPolarHBondContact O-CG 3.01Å; A8-R12 PolarHBondContact O-N 3.05Å; A8-R12 VanDerWaalsContact O-N 3.16Å; Q9-R12 PolarHBondContact O-N 3.49Å; L10-R12 VanDerWaalsContact C-N 3.34Å; L10-R12 PolarHBondContact O-N 3.45Å; R12-L15 PolarHBondContact O-N 3.24Å; R12-C16 VanDerWaalsContact O-CB 3.24Å; R12-C16 WeakPolarHBondContact O-CB 3.49Å; R12-C16 PolarHBondContact O-N 3.33Å; R12-C16 PolarHBondContact O-SG 3.31Å |
| 13 | V | 54.3 | Low | 43.8 | Very low | 86 Ų | 86 | 103.9 Ų | 103.9 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.5 | -42 | 175.3 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | Q9 L10 C16 L17 | Q9-V13 WeakPolarHBondContact O-CB 3.2Å; Q9-V13 VanDerWaalsContact O-CG2 3.26Å; Q9-V13 WeakPolarHBondContact O-CG2 3.18Å; Q9-V13 PolarHBondContact O-N 3.12Å; L10-V13 PolarHBondContact O-N 3.29Å; V13-C16 PolarHBondContact O-N 3.1Å; V13-L17 HydrophobicContact CG1-CD1 4.04Å; V13-L17 WeakPolarHBondContact O-CB 3.49Å; V13-L17 VanDerWaalsContact O-CG 3.28Å; V13-L17 WeakPolarHBondContact O-CG 3.2Å; V13-L17 PolarHBondContact O-N 2.72Å |
| 14 | A | 50.9 | Low | 43.4 | Very low | 4 Ų | 4 | 94.9 Ų | 94.9 | 3% | 0.033 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | L10 L11 L17 L18 I318 I322 | L10-A14 VanDerWaalsContact O-CB 3.26Å; L10-A14 WeakPolarHBondContact O-CB 3.01Å; L10-A14 PolarHBondContact O-N 2.97Å; L11-A14 PolarHBondContact O-N 3.06Å; A14-L17 PolarHBondContact O-N 3.31Å; A14-L18 WeakPolarHBondContact O-CG 3.32Å; A14-L18 PolarHBondContact O-N 2.84Å; A14-I318 HydrophobicContact CB-CG2 3.77Å; A14-I322 HydrophobicContact CB-CD1 3.6Å; A14-I322 WeakPolarHBondContact O-CD1 3.39Å |
| 15 | L | 50.5 | Low | 43.4 | Very low | 93 Ų | 93 | 90 Ų | 90 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -37 | 173.2 | -85.8 | 155.6 | 0 | 0 | 0 | 112.6 | L11 R12 L18 C19 | L11-L15 HydrophobicContact CD2-CD1 4.33Å; L11-L15 HydrophobicContact CG-CD1 4.09Å; L11-L15 WeakPolarHBondContact O-CB 3.28Å; L11-L15 WeakPolarHBondContact O-CD1 3.33Å; L11-L15 WeakPolarHBondContact O-CG 3.07Å; L11-L15 PolarHBondContact O-N 3.45Å; R12-L15 PolarHBondContact O-N 3.24Å; L15-L18 PolarHBondContact O-N 2.77Å; L15-C19 PolarHBondContact O-N 2.8Å; L15-C19 VanDerWaalsContact O-N 3.11Å; L15-C19 PolarHBondContact O-SG 3.34Å; L15-C19 VanDerWaalsContact O-SG 3.35Å |
| 16 | C | 48.7 | Very low | 43 | Very low | 74 Ų | 74 | 87.8 Ų | 87.8 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.4 | -35.7 | 175.3 | -77.8 | 0 | 0 | 0 | 0 | 112.2 | R12 V13 L18 C19 W20 | R12-C16 VanDerWaalsContact O-CB 3.24Å; R12-C16 WeakPolarHBondContact O-CB 3.49Å; R12-C16 PolarHBondContact O-N 3.33Å; R12-C16 PolarHBondContact O-SG 3.31Å; V13-C16 PolarHBondContact O-N 3.1Å; C16-L18 VanDerWaalsContact C-N 3.33Å; C16-C19 PolarHBondContact O-N 2.01Å; C16-W20 PolarHBondContact O-N 3.43Å |
| 17 | L | 47.8 | Very low | 42.7 | Very low | 93 Ų | 93 | 86.4 Ų | 86.4 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.3 | -33.5 | 173.2 | -73.6 | 166.2 | 0 | 0 | 0 | 111.8 | V13 A14 C19 | V13-L17 HydrophobicContact CG1-CD1 4.04Å; V13-L17 WeakPolarHBondContact O-CB 3.49Å; V13-L17 VanDerWaalsContact O-CG 3.28Å; V13-L17 WeakPolarHBondContact O-CG 3.2Å; V13-L17 PolarHBondContact O-N 2.72Å; A14-L17 PolarHBondContact O-N 3.31Å; L17-C19 VanDerWaalsContact C-N 3.34Å |
| 18 | L | 47.4 | Very low | 43.5 | Very low | 75 Ų | 75 | 85.1 Ų | 85.1 | 39% | 0.393 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.6 | -32 | 170.6 | -74.3 | 164.5 | 0 | 0 | 0 | 112.9 | A14 L15 C16 I322 | A14-L18 WeakPolarHBondContact O-CG 3.32Å; A14-L18 PolarHBondContact O-N 2.84Å; L15-L18 PolarHBondContact O-N 2.77Å; C16-L18 VanDerWaalsContact C-N 3.33Å; L18-I322 HydrophobicContact CD1-CD1 4.35Å; L18-I322 HydrophobicContact CD1-CG1 4.12Å; L18-I322 HydrophobicContact CD2-CG1 3.77Å; L18-I322 HydrophobicContact CG-CD1 4.2Å; L18-I322 HydrophobicContact CG-CG1 3.74Å |
| 19 | C | 43 | Very low | 44.3 | Very low | 102 Ų | 102 | 83.9 Ų | 83.9 | 69% | 0.689 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -85.1 | -16.4 | 179.4 | -70.1 | 0 | 0 | 0 | 0 | 113.8 | L15 C16 L17 V21 | L15-C19 PolarHBondContact O-N 2.8Å; L15-C19 VanDerWaalsContact O-N 3.11Å; L15-C19 PolarHBondContact O-SG 3.34Å; L15-C19 VanDerWaalsContact O-SG 3.35Å; C16-C19 PolarHBondContact O-N 2.01Å; L17-C19 VanDerWaalsContact C-N 3.34Å; C19-V21 PolarHBondContact O-N 2.7Å |
| 20 | W | 36.2 | Very low | 45.6 | Very low | 208 Ų | 208 | 79.8 Ų | 79.8 | 79% | 0.788 | 45% | 0.449 | S | S | * | . | trans | -97.1 | 78.4 | 174.1 | -80.7 | 24.4 | 0 | 0 | 0 | 108.6 | C16 P22 | C16-W20 PolarHBondContact O-N 3.43Å; W20-P22 WeakPolarHBondContact O-CD 3.07Å | ||
| 21 | V | 33.7 | Very low | 47.1 | Very low | 99 Ų | 99 | 76.9 Ų | 76.9 | 60% | 0.6 | 43% | 0.434 | S | S | * | . | trans | -77.3 | 106.7 | 165.8 | 177.4 | 0 | 0 | 0 | 0 | 106.9 | C19 I329 | C19-V21 PolarHBondContact O-N 2.7Å; V21-I329 HydrophobicContact CG1-CD1 4.34Å; V21-I329 HydrophobicContact CG1-CG2 4.18Å | ||
| 22 | P | 34.3 | Very low | 48.7 | Very low | 71 Ų | 71 | 73.3 Ų | 73.3 | 46% | 0.461 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 155 | 167.8 | -3.1 | 24.3 | 0 | 0 | 0 | 108.1 | W20 A24 | W20-P22 WeakPolarHBondContact O-CD 3.07Å; P22-A24 PolarHBondContact O-N 3.48Å |
| 23 | A | 32.8 | Very low | 50.4 | Low | 93 Ų | 93 | 66.8 Ų | 66.8 | 77% | 0.769 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -49.3 | 138.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V25 | A23-V25 PolarHBondContact O-N 3.25Š|
| 24 | A | 29 | Very low | 51.9 | Low | 64 Ų | 64 | 64 Ų | 64 | 53% | 0.529 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -56 | 122.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112 | P22 | P22-A24 PolarHBondContact O-N 3.48Š|
| 25 | V | 34.4 | Very low | 53.4 | Low | 100 Ų | 100 | 67.4 Ų | 67.4 | 61% | 0.606 | 39% | 0.394 | S | S | * | . | B | Isolated β-bridge | trans | -131.4 | 117.6 | 163.5 | -179.2 | 0 | 0 | 0 | 0 | 106.3 | A23 A27 G331 | A23-V25 PolarHBondContact O-N 3.25Å; V25-A27 PolarHBondContact O-N 2.92Å; V25-G331 WeakPolarHBondContact O-CA 3.14Å; V25-G331 PolarHBondContact O-N 2.84Å |
| 26 | D | 33.1 | Very low | 54.9 | Low | 52 Ų | 52 | 69.1 Ų | 69.1 | 28% | 0.278 | 39% | 0.394 | S | S | . | . | trans | -63.9 | 113.3 | -161.3 | -65.5 | -52.9 | 0 | 0 | 0 | 114.3 | V28 R36 | D26-V28 VanDerWaalsContact C-N 3.34Å; D26-V28 HydrophobicContact CB-CB 4.46Å; D26-V28 HydrophobicContact CB-CG2 4.43Å; D26-R36 IonicContact OD2-NH2 2.74Å | ||
| 27 | A | 41 | Very low | 56.4 | Low | 37 Ų | 37 | 70.3 Ų | 70.3 | 31% | 0.306 | 40% | 0.399 | S | S | . | . | trans | -103.6 | 29.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V25 R327 G330 | V25-A27 PolarHBondContact O-N 2.92Å; A27-R327 VanDerWaalsContact CB-O 3.22Å; A27-R327 WeakPolarHBondContact CB-O 3.37Å; A27-G330 WeakPolarHBondContact CB-O 3.42Å | ||
| 28 | V | 58.1 | Low | 58 | Low | 20 Ų | 20 | 66.1 Ų | 66.1 | 12% | 0.121 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -85.3 | 149.4 | -178 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | D26 S265 L270 | D26-V28 VanDerWaalsContact C-N 3.34Å; D26-V28 HydrophobicContact CB-CB 4.46Å; D26-V28 HydrophobicContact CB-CG2 4.43Å; V28-S265 WeakPolarHBondContact CG1-OG 3.28Å; V28-L270 HydrophobicContact CG1-CD2 4.38Å |
| 29 | P | 63.3 | Low | 59.6 | Low | 21 Ų | 21 | 65 Ų | 65 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -43.3 | 143.9 | 167.4 | 16.1 | -32.1 | 0 | 0 | 0 | 111.7 | L31 Y256 I259 L270 | P29-L31 PolarHBondContact O-N 3.37Å; P29-Y256 HydrophobicContact CB-CE1 4.29Å; P29-I259 HydrophobicContact CB-CD1 3.85Å; P29-I259 HydrophobicContact CG-CD1 3.49Å; P29-I259 VanDerWaalsContact CG-CD1 3.49Å; P29-L270 HydrophobicContact CG-CD2 4.44Å |
| 30 | E | 74.4 | Confident | 60.9 | Low | 41 Ų | 41 | 63.4 Ų | 63.4 | 19% | 0.192 | 36% | 0.356 | C | S | . | . | trans | -61.5 | 111 | -167 | -69 | -172.6 | 156.2 | 0 | 0 | 111.7 | K49 T50 S196 | E30-K49 HydrophobicContact CB-CG 4.32Å; E30-K49 PolarHBondContact O-NZ 2.6Å; E30-K49 WeakPolarHBondContact OE2-CA 3.5Å; E30-T50 PolarHBondContact OE2-N 2.88Å; E30-T50 PolarHBondContact OE2-OG1 3.4Å; E30-S196 VanDerWaalsContact OE2-CB 3.31Å; E30-S196 WeakPolarHBondContact OE2-CB 3.18Å; E30-S196 PolarHBondContact OE2-OG 2.79Å | ||
| 31 | L | 81 | Confident | 62.4 | Low | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.157 | 36% | 0.356 | C | S | . | . | trans | -53.7 | 145.5 | 177.8 | -67.7 | 150.8 | 0 | 0 | 0 | 111.2 | P29 W34 K49 L264 | P29-L31 PolarHBondContact O-N 3.37Å; L31-W34 HydrophobicContact CB-CZ2 4.21Å; L31-W34 WeakPolarHBondContact O-CH2 3.34Å; L31-W34 WeakPolarHBondContact O-CZ2 3.49Å; L31-K49 VanDerWaalsContact C-NZ 3.29Å; L31-K49 PolarHBondContact O-NZ 3.12Å; L31-L264 HydrophobicContact CD2-CD2 4.35Å | ||
| 32 | G | 79.6 | Confident | 64.1 | Low | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -102.9 | -14.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K49 S187 M188 G263 | G32-K49 VanDerWaalsContact CA-NZ 3.34Å; G32-S187 WeakPolarHBondContact O-CA 3.24Å; G32-M188 PolarHBondContact O-N 2.9Å; G32-G263 PolarHBondContact N-O 2.93Å |
| 33 | L | 85.5 | Confident | 65.8 | Low | 39 Ų | 39 | 57.6 Ų | 57.6 | 20% | 0.204 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 132 | 178.2 | -177.1 | 71.5 | 0 | 0 | 0 | 109.3 | L186 G263 L264 | L33-L186 WeakPolarHBondContact CA-O 3.39Å; L33-G263 PolarHBondContact N-O 3.33Å; L33-L264 HydrophobicContact CB-CD2 3.94Å; L33-L264 HydrophobicContact CB-CG 4.24Å; L33-L264 HydrophobicContact CD2-CD1 4.07Å; L33-L264 HydrophobicContact CD2-CD2 4.15Å; L33-L264 HydrophobicContact CD2-CG 3.99Å; L33-L264 HydrophobicContact CG-CD2 4.26Å; L33-L264 WeakPolarHBondContact O-CD2 3.42Å |
| 34 | W | 85.1 | Confident | 67.8 | Low | 28 Ų | 28 | 54.9 Ų | 54.9 | 11% | 0.106 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.2 | 174.4 | -59.8 | -94.1 | 0 | 0 | 0 | 110.5 | L31 F47 K49 S185 L186 M188 | L31-W34 HydrophobicContact CB-CZ2 4.21Å; L31-W34 WeakPolarHBondContact O-CH2 3.34Å; L31-W34 WeakPolarHBondContact O-CZ2 3.49Å; W34-F47 HydrophobicContact CB-CD1 4.01Å; W34-F47 HydrophobicContact CB-CE1 3.55Å; W34-F47 AromaticContact CD1-CD1 3.96Å; W34-F47 AromaticContact CD2-CD1 3.77Å; W34-F47 HydrophobicContact CD2-CD1 3.77Å; W34-F47 HydrophobicContact CD2-CE1 4.27Å; W34-F47 HydrophobicContact CE3-CD1 4.29Å; W34-F47 AromaticContact CG-CD1 3.64Å; W34-F47 HydrophobicContact CG-CD1 3.64Å; W34-F47 AromaticContact CG-CE1 3.71Å; W34-F47 HydrophobicContact CG-CE1 3.71Å; W34-K49 HydrophobicContact CH2-CB 4.21Å; W34-K49 HydrophobicContact CH2-CD 4.08Å; W34-K49 HydrophobicContact CH2-CG 4.5Å; W34-S185 VanDerWaalsContact O-CA 3.3Å; W34-S185 WeakPolarHBondContact O-CA 3.38Å; W34-L186 HydrophobicContact CB-CB 4.46Å; W34-L186 HydrophobicContact CE3-CB 4.19Å; W34-L186 HydrophobicContact CE3-CD2 3.88Å; W34-L186 HydrophobicContact CE3-CG 4.06Å; W34-L186 HydrophobicContact CZ3-CD2 4.16Å; W34-L186 HydrophobicContact CZ3-CG 4.42Å; W34-L186 PolarHBondContact N-O 2.95Å; W34-L186 PolarHBondContact O-N 3.28Å; W34-M188 HydrophobicContact CH2-CE 4.1Å; W34-M188 HydrophobicContact CH2-CG 4.26Å; W34-M188 HydrophobicContact CH2-SD 3.62Å; W34-M188 HydrophobicContact CZ3-CB 4.16Å; W34-M188 HydrophobicContact CZ3-CE 4.01Å; W34-M188 HydrophobicContact CZ3-CG 3.73Å; W34-M188 HydrophobicContact CZ3-SD 3.68Å |
| 35 | T | 83.6 | Confident | 70.2 | Confident | 75 Ų | 75 | 53.2 Ų | 53.2 | 46% | 0.46 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 118.8 | 169.3 | 51.4 | 0 | 0 | 0 | 0 | 108.2 | V184 | T35-V184 WeakPolarHBondContact CA-O 3.32Å |
| 36 | R | 80.8 | Confident | 72.3 | Confident | 130 Ų | 130 | 51 Ų | 51 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 139.8 | -179.3 | -68 | -66.6 | -173.4 | -167.3 | -2.9 | 109.7 | D26 L45 F47 V184 | D26-R36 IonicContact OD2-NH2 2.74Å; R36-L45 HydrophobicContact CB-CD2 4.43Å; R36-F47 HydrophobicContact CG-CE1 4.48Å; R36-V184 HydrophobicContact CB-CG2 4.41Å; R36-V184 PolarHBondContact N-O 3.33Å; R36-V184 WeakPolarHBondContact O-CG2 3.23Å; R36-V184 PolarHBondContact O-N 2.84Å |
| 37 | T | 81.3 | Confident | 74.7 | Confident | 99 Ų | 99 | 49 Ų | 49 | 61% | 0.607 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 126.7 | 167.7 | 49.4 | 0 | 0 | 0 | 0 | 108.6 | L182 N183 | T37-L182 CarbonylContact C-O 3.52Å; T37-L182 WeakPolarHBondContact CA-O 3.35Å; T37-N183 HydrophobicContact CG2-CB 4.47Å |
| 38 | V | 81.3 | Confident | 76.6 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.7 | 178 | -170.2 | 0 | 0 | 0 | 0 | 108 | L45 I171 W180 D181 L182 V184 | V38-L45 HydrophobicContact CG2-CD1 3.43Å; V38-L45 VanDerWaalsContact CG2-CD1 3.43Å; V38-L45 HydrophobicContact CG2-CD2 4.07Å; V38-L45 HydrophobicContact CG2-CG 3.95Å; V38-I171 HydrophobicContact CB-CD1 4.42Å; V38-I171 HydrophobicContact CG1-CD1 4.25Å; V38-I171 HydrophobicContact CG2-CD1 4.39Å; V38-W180 HydrophobicContact CB-CZ3 4.3Å; V38-W180 HydrophobicContact CG1-CH2 4.08Å; V38-W180 HydrophobicContact CG1-CZ3 4.06Å; V38-W180 WeakPolarHBondContact O-CZ3 3.42Å; V38-D181 CarbonylContact O-C 3.55Å; V38-D181 WeakPolarHBondContact O-CA 3.41Å; V38-L182 PolarHBondContact N-O 3.01Å; V38-L182 PolarHBondContact O-N 3.36Å; V38-V184 HydrophobicContact CG2-CG1 4.41Å; V38-V184 HydrophobicContact CG2-CG2 4Å |
| 39 | N | 79.9 | Confident | 77.9 | Confident | 52 Ų | 52 | 52.3 Ų | 52.3 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 171.7 | -178.1 | -50.3 | 42.2 | 0 | 0 | 0 | 109 | K41 S42 W180 D181 | N39-K41 PolarHBondContact O-N 3.17Å; N39-S42 PolarHBondContact N-OG 2.84Å; N39-S42 VanDerWaalsContact O-CB 3.24Å; N39-S42 WeakPolarHBondContact O-CB 3.33Å; N39-S42 PolarHBondContact O-N 3.28Å; N39-S42 PolarHBondContact O-OG 2.81Å; N39-W180 WeakPolarHBondContact CA-O 3.38Å; N39-D181 PolarHBondContact ND2-OD1 3.24Å |
| 40 | D | 70.3 | Confident | 79.1 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 36% | 0.358 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -31.9 | 174.8 | 67 | -38.5 | 0 | 0 | 0 | 114.8 | ||
| 41 | K | 68 | Low | 79.7 | Confident | 179 Ų | 179 | 49.5 Ų | 49.5 | 78% | 0.778 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -0.3 | 179.6 | -64.1 | 173.8 | -171.8 | 176.8 | 0 | 114.4 | N39 | N39-K41 PolarHBondContact O-N 3.17Š|
| 42 | S | 69.4 | Low | 80.1 | Confident | 49 Ų | 49 | 49.2 Ų | 49.2 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | trans | -85.5 | 132.1 | -174.6 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | N39 | N39-S42 PolarHBondContact N-OG 2.84Å; N39-S42 VanDerWaalsContact O-CB 3.24Å; N39-S42 WeakPolarHBondContact O-CB 3.33Å; N39-S42 PolarHBondContact O-N 3.28Å; N39-S42 PolarHBondContact O-OG 2.81Å | ||
| 43 | G | 71.1 | Confident | 80.4 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | trans | -72.2 | -179.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | L45 H98 | G43-L45 PolarHBondContact O-N 3.06Å; G43-H98 WeakPolarHBondContact CA-CE1 3.35Å; G43-H98 WeakPolarHBondContact CA-NE2 3.46Å | ||
| 44 | P | 73.7 | Confident | 80.4 | Confident | 36 Ų | 36 | 54.3 Ų | 54.3 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | trans | -57.8 | 135.3 | 176.7 | 26.6 | -34.9 | 0 | 0 | 0 | 110.4 | L94 H98 I168 V169 | P44-L94 HydrophobicContact CG-CD2 3.46Å; P44-L94 VanDerWaalsContact CG-CD2 3.46Å; P44-H98 WeakPolarHBondContact CD-CE1 3.44Å; P44-I168 HydrophobicContact CB-CG2 4.14Å; P44-V169 CarbonylContact C-O 3.52Å; P44-V169 WeakPolarHBondContact CA-O 3.29Å | ||
| 45 | L | 79.4 | Confident | 80.4 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 15% | 0.152 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 126.5 | 176.3 | -65.7 | 175.2 | 0 | 0 | 0 | 109.4 | R36 V38 G43 F47 I168 V169 V184 | R36-L45 HydrophobicContact CB-CD2 4.43Å; V38-L45 HydrophobicContact CG2-CD1 3.43Å; V38-L45 VanDerWaalsContact CG2-CD1 3.43Å; V38-L45 HydrophobicContact CG2-CD2 4.07Å; V38-L45 HydrophobicContact CG2-CG 3.95Å; G43-L45 PolarHBondContact O-N 3.06Å; L45-F47 HydrophobicContact CB-CD2 4.31Å; L45-F47 HydrophobicContact CB-CE2 3.55Å; L45-F47 HydrophobicContact CB-CZ 4Å; L45-F47 HydrophobicContact CD1-CE2 4.04Å; L45-F47 HydrophobicContact CD1-CZ 3.97Å; L45-F47 HydrophobicContact CG-CE2 4.42Å; L45-F47 HydrophobicContact CG-CZ 4.49Å; L45-I168 CarbonylContact O-C 3.56Å; L45-I168 VanDerWaalsContact O-CA 3.31Å; L45-I168 WeakPolarHBondContact O-CA 3.3Å; L45-V169 HydrophobicContact CB-CB 4.33Å; L45-V169 PolarHBondContact N-O 3.31Å; L45-V169 PolarHBondContact O-N 3.3Å; L45-V184 HydrophobicContact CD1-CG2 3.56Å |
| 46 | V | 78.9 | Confident | 80.6 | Confident | 53 Ų | 53 | 51.4 Ų | 51.4 | 32% | 0.321 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 120.6 | 177.8 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | L94 I166 I168 | V46-L94 HydrophobicContact CG2-CD1 4.39Å; V46-I166 HydrophobicContact CG1-CG2 3.65Å; V46-I168 HydrophobicContact CG1-CG1 4.46Å; V46-I168 HydrophobicContact CG2-CG1 4.39Å; V46-I168 HydrophobicContact CG2-CG2 4.48Å |
| 47 | F | 83.3 | Confident | 80.9 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.2 | 177.3 | -57.7 | -84.9 | 0 | 0 | 0 | 109.8 | W34 R36 L45 I166 F167 V169 L186 M188 | W34-F47 HydrophobicContact CB-CD1 4.01Å; W34-F47 HydrophobicContact CB-CE1 3.55Å; W34-F47 AromaticContact CD1-CD1 3.96Å; W34-F47 AromaticContact CD2-CD1 3.77Å; W34-F47 HydrophobicContact CD2-CD1 3.77Å; W34-F47 HydrophobicContact CD2-CE1 4.27Å; W34-F47 HydrophobicContact CE3-CD1 4.29Å; W34-F47 AromaticContact CG-CD1 3.64Å; W34-F47 HydrophobicContact CG-CD1 3.64Å; W34-F47 AromaticContact CG-CE1 3.71Å; W34-F47 HydrophobicContact CG-CE1 3.71Å; R36-F47 HydrophobicContact CG-CE1 4.48Å; L45-F47 HydrophobicContact CB-CD2 4.31Å; L45-F47 HydrophobicContact CB-CE2 3.55Å; L45-F47 HydrophobicContact CB-CZ 4Å; L45-F47 HydrophobicContact CD1-CE2 4.04Å; L45-F47 HydrophobicContact CD1-CZ 3.97Å; L45-F47 HydrophobicContact CG-CE2 4.42Å; L45-F47 HydrophobicContact CG-CZ 4.49Å; F47-I166 WeakPolarHBondContact O-CA 3.44Å; F47-F167 HydrophobicContact CB-CB 4.39Å; F47-F167 HydrophobicContact CD2-CD1 4.16Å; F47-F167 PolarHBondContact N-O 2.03Å; F47-F167 PolarHBondContact O-N 2.96Å; F47-V169 HydrophobicContact CE2-CG2 4.41Å; F47-L186 HydrophobicContact CB-CD2 3.56Å; F47-L186 HydrophobicContact CD1-CD2 3.64Å; F47-L186 HydrophobicContact CD2-CD2 3.32Å; F47-L186 HydrophobicContact CE1-CB 4.46Å; F47-L186 HydrophobicContact CE1-CD2 4.09Å; F47-L186 HydrophobicContact CE2-CD2 3.77Å; F47-L186 HydrophobicContact CG-CD2 3.21Å; F47-L186 HydrophobicContact CZ-CB 4.32Å; F47-L186 HydrophobicContact CZ-CD2 4.12Å; F47-M188 HydrophobicContact CB-CE 3.95Å |
| 48 | R | 81.5 | Confident | 81.1 | Confident | 121 Ų | 121 | 43.4 Ų | 43.4 | 46% | 0.457 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.3 | 179.6 | 70 | -175.5 | -176.3 | -145.4 | -0.4 | 110.2 | ||
| 49 | K | 85.5 | Confident | 81.2 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 143.2 | 169 | -160.1 | -176 | 179.7 | 77.3 | 0 | 110.5 | E30 L31 G32 W34 M51 H165 M188 Y194 | E30-K49 HydrophobicContact CB-CG 4.32Å; E30-K49 PolarHBondContact O-NZ 2.6Å; E30-K49 WeakPolarHBondContact OE2-CA 3.5Å; L31-K49 VanDerWaalsContact C-NZ 3.29Å; L31-K49 PolarHBondContact O-NZ 3.12Å; G32-K49 VanDerWaalsContact CA-NZ 3.34Å; W34-K49 HydrophobicContact CH2-CB 4.21Å; W34-K49 HydrophobicContact CH2-CD 4.08Å; W34-K49 HydrophobicContact CH2-CG 4.5Å; K49-M51 HydrophobicContact CB-CG 4.05Å; K49-M51 HydrophobicContact CD-CG 4.17Å; K49-M51 HydrophobicContact CG-CG 4.25Å; K49-M51 PolarHBondContact O-N 3.4Å; K49-H165 PolarHBondContact N-O 2.95Å; K49-H165 PolarHBondContact O-N 3.19Å; K49-H165 VanDerWaalsContact O-N 3.13Å; K49-M188 HydrophobicContact CB-SD 3.69Å; K49-M188 HydrophobicContact CD-CB 3.97Å; K49-M188 HydrophobicContact CD-SD 3.87Å; K49-M188 HydrophobicContact CG-SD 4.44Å; K49-Y194 VanDerWaalsContact CE-O 3.23Å; K49-Y194 WeakPolarHBondContact CE-O 3.47Å; K49-Y194 PolarHBondContact NZ-O 2.74Å |
| 50 | T | 87.1 | Confident | 81.2 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 116.1 | 166 | -44.2 | 0 | 0 | 0 | 0 | 108.5 | E30 F164 S196 A197 W420 | E30-T50 PolarHBondContact OE2-N 2.88Å; E30-T50 PolarHBondContact OE2-OG1 3.4Å; T50-F164 HydrophobicContact CG2-CD1 4.07Å; T50-F164 HydrophobicContact CG2-CE1 4.15Å; T50-F164 WeakPolarHBondContact OG1-CD1 3.26Å; T50-F164 WeakPolarHBondContact OG1-CE1 3.38Å; T50-S196 WeakPolarHBondContact CB-OG 3.41Å; T50-S196 PolarHBondContact O-OG 3.41Å; T50-A197 HydrophobicContact CG2-CB 4.19Å; T50-A197 PolarHBondContact O-N 3.37Å; T50-W420 HydrophobicContact CG2-CD2 3.77Å; T50-W420 HydrophobicContact CG2-CE3 3.46Å; T50-W420 VanDerWaalsContact CG2-CE3 3.46Å; T50-W420 HydrophobicContact CG2-CG 4.39Å; T50-W420 HydrophobicContact CG2-CH2 4.26Å; T50-W420 HydrophobicContact CG2-CZ3 3.73Å |
| 51 | M | 88 | Confident | 81.6 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.9 | -170.2 | -67.4 | -166.5 | -84.6 | 0 | 0 | 111.5 | K49 T55 I57 L78 T159 D162 G163 H165 M188 | K49-M51 HydrophobicContact CB-CG 4.05Å; K49-M51 HydrophobicContact CD-CG 4.17Å; K49-M51 HydrophobicContact CG-CG 4.25Å; K49-M51 PolarHBondContact O-N 3.4Å; M51-T55 HydrophobicContact CB-CG2 4.22Å; M51-T55 HydrophobicContact CG-CG2 4.08Å; M51-T55 HydrophobicContact SD-CG2 3.5Å; M51-T55 WeakPolarHBondContact SD-CG2 3.23Å; M51-I57 HydrophobicContact CE-CD1 3.83Å; M51-I57 HydrophobicContact CE-CG1 4.47Å; M51-I57 HydrophobicContact SD-CD1 4.34Å; M51-I57 HydrophobicContact SD-CG1 4.36Å; M51-L78 HydrophobicContact CE-CD1 4.04Å; M51-T159 HydrophobicContact CB-CG2 4.03Å; M51-T159 HydrophobicContact CE-CG2 3.74Å; M51-T159 HydrophobicContact SD-CG2 3.96Å; M51-D162 WeakPolarHBondContact O-CA 3.47Å; M51-G163 PolarHBondContact N-O 2.8Å; M51-G163 PolarHBondContact O-N 2.8Å; M51-H165 HydrophobicContact CE-CB 3.12Å; M51-M188 HydrophobicContact CE-CE 4.4Å; M51-M188 HydrophobicContact CE-SD 3.91Å; M51-M188 HydrophobicContact CG-SD 4.44Å; M51-M188 HydrophobicContact SD-CB 4.09Å; M51-M188 HydrophobicContact SD-CG 4Å; M51-M188 HydrophobicContact SD-SD 3.51Å |
| 52 | F | 88.3 | Confident | 82 | Confident | 25 Ų | 25 | 37.3 Ų | 37.3 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | trans | -73.7 | 163.3 | 167.6 | -67.7 | -72.6 | 0 | 0 | 0 | 110.5 | T55 T159 D162 P191 H192 A197 W200 | F52-T55 PolarHBondContact N-OG1 2.88Å; F52-T55 WeakPolarHBondContact O-CB 3.27Å; F52-T55 PolarHBondContact O-N 2.93Å; F52-T55 PolarHBondContact O-OG1 2.84Å; F52-T159 PolarHBondContact O-OG1 2.99Å; F52-D162 VanDerWaalsContact CA-OD1 3.24Å; F52-D162 WeakPolarHBondContact CA-OD1 3.01Å; F52-P191 HydrophobicContact CB-CG 3.98Å; F52-P191 HydrophobicContact CD2-CG 4.48Å; F52-P191 HydrophobicContact CG-CG 4.34Å; F52-H192 HydrophobicContact CE2-CB 4.45Å; F52-H192 AromaticContact CE2-CD2 3.9Å; F52-H192 AromaticContact CZ-CD2 3.97Å; F52-A197 HydrophobicContact CD1-CB 3.81Å; F52-A197 HydrophobicContact CD2-CB 3.89Å; F52-A197 HydrophobicContact CE1-CB 3.68Å; F52-A197 HydrophobicContact CE2-CB 3.77Å; F52-A197 HydrophobicContact CG-CB 3.92Å; F52-A197 VanDerWaalsContact CZ-CA 3.48Å; F52-A197 HydrophobicContact CZ-CB 3.67Å; F52-W200 HydrophobicContact CE2-CB 4.25Å; F52-W200 HydrophobicContact CE2-CG 4.42Å; F52-W200 HydrophobicContact CZ-CB 3.86Å; F52-W200 HydrophobicContact CZ-CD2 4.49Å; F52-W200 HydrophobicContact CZ-CG 4.03Å | ||
| 53 | N | 86.7 | Confident | 82.2 | Confident | 67 Ų | 67 | 37.8 Ų | 37.8 | 36% | 0.358 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 143 | 165.4 | -175.3 | 2.7 | 0 | 0 | 0 | 109.7 | T55 T159 Q160 D162 | N53-T55 PolarHBondContact O-N 2.86Å; N53-T159 PolarHBondContact OD1-O 3.48Å; N53-Q160 PolarHBondContact ND2-O 2.94Å; N53-Q160 VanDerWaalsContact OD1-C 3.25Å; N53-Q160 PolarHBondContact OD1-O 2.83Å; N53-D162 WeakPolarHBondContact CB-OD1 3.49Å; N53-D162 PolarHBondContact N-OD1 2.57Å |
| 54 | S | 85.2 | Confident | 82.4 | Confident | 78 Ų | 78 | 38.8 Ų | 38.8 | 55% | 0.545 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 25.9 | -179.8 | -54.6 | 0 | 0 | 0 | 0 | 114.2 | T159 | S54-T159 WeakPolarHBondContact CA-O 3.43Å; S54-T159 PolarHBondContact N-O 3.46Å; S54-T159 PolarHBondContact N-OG1 3.38Å |
| 55 | T | 86.1 | Confident | 82.4 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | trans | -71.4 | 128.5 | 169.2 | -61.9 | 0 | 0 | 0 | 0 | 109.3 | M51 F52 N53 R158 T159 M188 V189 | M51-T55 HydrophobicContact CB-CG2 4.22Å; M51-T55 HydrophobicContact CG-CG2 4.08Å; M51-T55 HydrophobicContact SD-CG2 3.5Å; M51-T55 WeakPolarHBondContact SD-CG2 3.23Å; F52-T55 PolarHBondContact N-OG1 2.88Å; F52-T55 WeakPolarHBondContact O-CB 3.27Å; F52-T55 PolarHBondContact O-N 2.93Å; F52-T55 PolarHBondContact O-OG1 2.84Å; N53-T55 PolarHBondContact O-N 2.86Å; T55-R158 VanDerWaalsContact O-CA 3.32Å; T55-R158 WeakPolarHBondContact O-CA 3.46Å; T55-T159 WeakPolarHBondContact CB-OG1 3.24Å; T55-T159 PolarHBondContact N-OG1 2.96Å; T55-T159 PolarHBondContact O-N 3.39Å; T55-T159 VanDerWaalsContact O-N 3.12Å; T55-M188 HydrophobicContact CG2-CB 4.44Å; T55-V189 WeakPolarHBondContact CA-O 3.36Å; T55-V189 WeakPolarHBondContact CG2-O 3.23Å | ||
| 56 | E | 87.3 | Confident | 82.1 | Confident | 39 Ų | 39 | 39.9 Ų | 39.9 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 124.5 | 177.4 | -62.6 | -168.6 | 153.8 | 0 | 0 | 110.3 | V155 R158 V189 | E56-V155 HydrophobicContact CB-CG1 4.33Å; E56-R158 HydrophobicContact CG-CG 4.16Å; E56-R158 IonicContact OE1-CZ 2.77Å; E56-R158 IonicContact OE1-NE 3.39Å; E56-R158 PolarHBondContact OE1-NE 2.87Å; E56-R158 IonicContact OE1-NH2 2.8Å; E56-R158 PolarHBondContact OE1-NH2 3.37Å; E56-V189 PolarHBondContact N-O 2.86Å; E56-V189 PolarHBondContact O-N 2.84Å |
| 57 | I | 86.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.4 | 174.1 | -51.5 | -176.4 | 0 | 0 | 0 | 107.5 | M51 L78 V156 A157 F167 L186 M188 | M51-I57 HydrophobicContact CE-CD1 3.83Å; M51-I57 HydrophobicContact CE-CG1 4.47Å; M51-I57 HydrophobicContact SD-CD1 4.34Å; M51-I57 HydrophobicContact SD-CG1 4.36Å; I57-L78 HydrophobicContact CD1-CD1 3.54Å; I57-L78 HydrophobicContact CD1-CD2 3.8Å; I57-L78 HydrophobicContact CD1-CG 4.25Å; I57-V156 PolarHBondContact O-N 2.94Å; I57-A157 HydrophobicContact CB-CB 4.3Å; I57-A157 HydrophobicContact CD1-CB 4.18Å; I57-A157 HydrophobicContact CG1-CB 4.5Å; I57-A157 PolarHBondContact N-O 2.91Å; I57-A157 PolarHBondContact O-N 2.95Å; I57-F167 HydrophobicContact CD1-CD2 4.13Å; I57-F167 HydrophobicContact CG2-CD1 4.4Å; I57-F167 HydrophobicContact CG2-CD2 4.35Å; I57-F167 HydrophobicContact CG2-CE1 4.29Å; I57-F167 HydrophobicContact CG2-CE2 4.26Å; I57-F167 HydrophobicContact CG2-CG 4.41Å; I57-F167 HydrophobicContact CG2-CZ 4.23Å; I57-L186 HydrophobicContact CG2-CD1 3.57Å; I57-M188 HydrophobicContact CG1-CG 4.28Å; I57-M188 HydrophobicContact CG2-CG 4.29Å |
| 58 | K | 86 | Confident | 80.8 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 27% | 0.27 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.7 | 176 | -45.6 | 175.4 | 178.9 | 177.1 | 0 | 109.7 | D154 V155 L186 S187 | K58-D154 WeakPolarHBondContact CA-O 3.5Å; K58-D154 HydrophobicContact CB-CB 4.49Å; K58-D154 WeakPolarHBondContact CB-O 3.49Å; K58-V155 HydrophobicContact CG-CG2 4.13Å; K58-L186 WeakPolarHBondContact O-CA 3.48Å; K58-S187 WeakPolarHBondContact CB-OG 3.46Å; K58-S187 PolarHBondContact N-O 2.79Å; K58-S187 PolarHBondContact O-N 3.07Å |
| 59 | F | 84.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 125.9 | -179.2 | 175.8 | -98.2 | 0 | 0 | 0 | 108.9 | I74 L135 D154 V156 V169 V184 S185 L186 | F59-I74 HydrophobicContact CE1-CD1 4.47Å; F59-I74 HydrophobicContact CE1-CG2 4.03Å; F59-L135 HydrophobicContact CD1-CD1 3.43Å; F59-L135 VanDerWaalsContact CD1-CD1 3.43Å; F59-L135 HydrophobicContact CE1-CD1 3.63Å; F59-D154 PolarHBondContact N-O 2.89Å; F59-V156 HydrophobicContact CB-CB 4.42Å; F59-V156 HydrophobicContact CB-CG2 3.84Å; F59-V169 HydrophobicContact CE1-CG1 4.35Å; F59-V169 HydrophobicContact CE2-CG1 4.34Å; F59-V169 HydrophobicContact CE2-CG2 4.27Å; F59-V169 HydrophobicContact CZ-CG1 3.89Å; F59-V184 HydrophobicContact CE2-CB 3.73Å; F59-V184 HydrophobicContact CE2-CG1 4.24Å; F59-V184 HydrophobicContact CE2-CG2 4.03Å; F59-V184 HydrophobicContact CZ-CB 3.88Å; F59-V184 HydrophobicContact CZ-CG1 3.87Å; F59-V184 HydrophobicContact CZ-CG2 4.44Å; F59-S185 WeakPolarHBondContact CA-O 3.31Å; F59-L186 HydrophobicContact CB-CD1 3.84Å; F59-L186 HydrophobicContact CD2-CB 4.25Å; F59-L186 HydrophobicContact CD2-CD1 3.92Å; F59-L186 HydrophobicContact CG-CD1 4.35Å |
| 60 | S | 79.6 | Confident | 79.3 | Confident | 32 Ų | 32 | 41.7 Ų | 41.7 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 150.5 | -176.9 | 60.6 | 0 | 0 | 0 | 0 | 110.9 | S185 | S60-S185 PolarHBondContact N-O 2.79Å; S60-S185 PolarHBondContact O-N 3.08Å; S60-S185 PolarHBondContact O-OG 3.13Å; S60-S185 PolarHBondContact OG-OG 3.36Å |
| 61 | V | 77.1 | Confident | 78.6 | Confident | 16 Ų | 16 | 46 Ų | 46 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 115.3 | 176.3 | -169.2 | 0 | 0 | 0 | 0 | 108 | I74 F132 L182 V184 | V61-I74 HydrophobicContact CG2-CD1 4.26Å; V61-F132 HydrophobicContact CB-CB 4.29Å; V61-F132 HydrophobicContact CB-CD1 4.11Å; V61-F132 HydrophobicContact CB-CD2 3.5Å; V61-F132 VanDerWaalsContact CB-CD2 3.5Å; V61-F132 HydrophobicContact CB-CE1 4.34Å; V61-F132 HydrophobicContact CB-CE2 3.67Å; V61-F132 HydrophobicContact CB-CG 3.72Å; V61-F132 HydrophobicContact CB-CZ 4.15Å; V61-F132 HydrophobicContact CG1-CD2 3.56Å; V61-F132 HydrophobicContact CG1-CE1 4.31Å; V61-F132 HydrophobicContact CG1-CE2 3.18Å; V61-F132 HydrophobicContact CG1-CG 4.21Å; V61-F132 HydrophobicContact CG1-CZ 3.67Å; V61-F132 HydrophobicContact CG2-CD1 4.31Å; V61-F132 HydrophobicContact CG2-CE1 4.46Å; V61-F132 HydrophobicContact CG2-CG 4.37Å; V61-L182 HydrophobicContact CG1-CD2 4.19Å; V61-V184 HydrophobicContact CG1-CG1 4.4Å; V61-V184 HydrophobicContact CG2-CG1 4.24Å |
| 62 | K | 77.8 | Confident | 77.8 | Confident | 126 Ų | 126 | 46.2 Ų | 46.2 | 55% | 0.548 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -39.1 | -173.1 | -73.4 | -171.5 | 169.3 | 177.9 | 0 | 113.1 | N183 S185 | K62-N183 PolarHBondContact N-O 3.23Å; K62-S185 VanDerWaalsContact CE-CB 3.49Å; K62-S185 VanDerWaalsContact CE-OG 3.24Å; K62-S185 WeakPolarHBondContact CE-OG 3.41Å; K62-S185 WeakPolarHBondContact CG-OG 3.45Å |
| 63 | S | 73.3 | Confident | 77 | Confident | 60 Ų | 60 | 46.4 Ų | 46.4 | 42% | 0.42 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 155.6 | 179.8 | 64.1 | 0 | 0 | 0 | 0 | 110.3 | N183 | S63-N183 PolarHBondContact O-N 2.79Å; S63-N183 WeakPolarHBondContact OG-CB 3.49Å; S63-N183 PolarHBondContact OG-ND2 3.24Å |
| 64 | F | 74.9 | Confident | 76.4 | Confident | 49 Ų | 49 | 43.6 Ų | 43.6 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 153.1 | 176.3 | 61.2 | -81.9 | 0 | 0 | 0 | 111 | C125 S129 F132 D181 L182 | F64-C125 WeakPolarHBondContact CD2-SG 3.41Å; F64-C125 VanDerWaalsContact CE2-SG 3.5Å; F64-S129 VanDerWaalsContact CE1-O 3.26Å; F64-S129 WeakPolarHBondContact CE1-O 3.42Å; F64-S129 WeakPolarHBondContact CZ-O 3.39Å; F64-S129 WeakPolarHBondContact CZ-OG 3.08Å; F64-F132 HydrophobicContact CB-CE2 3.62Å; F64-F132 HydrophobicContact CB-CZ 3.85Å; F64-F132 AromaticContact CD1-CD2 3.7Å; F64-F132 HydrophobicContact CD1-CD2 3.7Å; F64-F132 AromaticContact CD1-CE2 3.07Å; F64-F132 HydrophobicContact CD1-CE2 3.07Å; F64-F132 AromaticContact CD1-CZ 3.78Å; F64-F132 HydrophobicContact CD1-CZ 3.78Å; F64-F132 HydrophobicContact CE1-CD2 4.16Å; F64-F132 AromaticContact CE1-CE2 3.86Å; F64-F132 HydrophobicContact CE1-CE2 3.86Å; F64-F132 HydrophobicContact CE1-CZ 4.47Å; F64-F132 AromaticContact CG-CE2 3.57Å; F64-F132 HydrophobicContact CG-CE2 3.57Å; F64-F132 AromaticContact CG-CZ 3.89Å; F64-F132 HydrophobicContact CG-CZ 3.89Å; F64-D181 CarbonylContact C-O 3.6Å; F64-D181 VanDerWaalsContact CA-O 3.29Å; F64-D181 WeakPolarHBondContact CA-O 3.36Å; F64-L182 HydrophobicContact CB-CD2 3.52Å |
| 65 | S | 73 | Confident | 75.8 | Confident | 71 Ų | 71 | 40.9 Ų | 40.9 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 125 | 172.4 | -178.5 | 0 | 0 | 0 | 0 | 108 | W180 D181 | S65-W180 CarbonylContact O-C 3.52Å; S65-W180 VanDerWaalsContact O-CA 3.23Å; S65-W180 WeakPolarHBondContact O-CA 3.4Å; S65-D181 PolarHBondContact N-O 3.39Å; S65-D181 PolarHBondContact O-N 2.8Å |
| 66 | C | 73.9 | Confident | 75.3 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 135.6 | 178.5 | -61.3 | 0 | 0 | 0 | 0 | 109.8 | G68 C125 | C66-G68 WeakPolarHBondContact CB-O 3.19Å; C66-G68 PolarHBondContact O-N 3.34Å; C66-C125 HydrophobicContact CB-CB 3.71Å; C66-C125 WeakPolarHBondContact CB-SG 3.23Å; C66-C125 WeakPolarHBondContact SG-CB 3.46Å; C66-C125 CovalentContact SG-SG 2.03Å; C66-C125 PolarHBondContact SG-SG 3.18Å |
| 67 | S | 68.3 | Low | 74.6 | Confident | 110 Ų | 110 | 39.6 Ų | 39.6 | 77% | 0.769 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -75.1 | -10 | 175.8 | -62.1 | 0 | 0 | 0 | 0 | 113.5 | V179 | S67-V179 PolarHBondContact N-O 2.82Š|
| 68 | G | 66.9 | Low | 74.2 | Confident | 31 Ų | 31 | 41 Ų | 41 | 32% | 0.32 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -170.1 | -180 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | C66 V70 | C66-G68 WeakPolarHBondContact CB-O 3.19Å; C66-G68 PolarHBondContact O-N 3.34Å; G68-V70 WeakPolarHBondContact O-CG2 3.46Å; G68-V70 PolarHBondContact O-N 3.47Å |
| 69 | P | 67.5 | Low | 73.8 | Confident | 84 Ų | 84 | 40 Ų | 40 | 55% | 0.545 | 23% | 0.234 | S | C | . | . | trans | -68.2 | 114.1 | 178.8 | 26.5 | -32.6 | 0 | 0 | 0 | 110.8 | C125 K175 | P69-C125 WeakPolarHBondContact CA-O 3.17Å; P69-K175 PolarHBondContact O-NZ 3.19Å | ||
| 70 | V | 68.8 | Low | 73.6 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | trans | -121.4 | 136.9 | 177.6 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | G68 F72 C125 T173 A178 | G68-V70 WeakPolarHBondContact O-CG2 3.46Å; G68-V70 PolarHBondContact O-N 3.47Å; V70-F72 HydrophobicContact CB-CE2 4.22Å; V70-F72 HydrophobicContact CB-CZ 4.12Å; V70-F72 HydrophobicContact CG1-CE1 4.16Å; V70-F72 HydrophobicContact CG1-CE2 4.43Å; V70-F72 HydrophobicContact CG1-CZ 4.04Å; V70-C125 HydrophobicContact CB-CB 4.42Å; V70-C125 PolarHBondContact O-N 2.82Å; V70-T173 HydrophobicContact CG1-CG2 3.79Å; V70-A178 HydrophobicContact CG1-CB 4.38Å; V70-A178 HydrophobicContact CG2-CB 3.51Å | ||
| 71 | K | 71.3 | Confident | 73.3 | Confident | 92 Ų | 92 | 43.7 Ų | 43.7 | 40% | 0.4 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 119.8 | 169.3 | -70.5 | -176.5 | -170.8 | 164.5 | 0 | 110.6 | L123 T173 E174 | K71-L123 VanDerWaalsContact CA-O 3.27Å; K71-L123 WeakPolarHBondContact CA-O 3.44Å; K71-T173 WeakPolarHBondContact O-CA 3.47Å; K71-E174 WeakPolarHBondContact CD-OE2 3.4Å; K71-E174 PolarHBondContact O-N 3.18Å |
| 72 | F | 71.9 | Confident | 73.2 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 2% | 0.022 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 152.6 | 173.6 | -63.5 | -74.5 | 0 | 0 | 0 | 111.1 | V70 N122 L123 C125 I171 K172 T173 W180 L182 | V70-F72 HydrophobicContact CB-CE2 4.22Å; V70-F72 HydrophobicContact CB-CZ 4.12Å; V70-F72 HydrophobicContact CG1-CE1 4.16Å; V70-F72 HydrophobicContact CG1-CE2 4.43Å; V70-F72 HydrophobicContact CG1-CZ 4.04Å; F72-N122 WeakPolarHBondContact O-CA 3Å; F72-L123 PolarHBondContact N-O 2.83Å; F72-C125 HydrophobicContact CE2-CB 3.88Å; F72-I171 HydrophobicContact CD1-CG2 3.9Å; F72-K172 CarbonylContact C-O 3.45Å; F72-K172 WeakPolarHBondContact CA-O 3.18Å; F72-T173 HydrophobicContact CD1-CG2 3.41Å; F72-T173 VanDerWaalsContact CD1-CG2 3.41Å; F72-T173 HydrophobicContact CE1-CG2 3.41Å; F72-T173 VanDerWaalsContact CE1-CG2 3.41Å; F72-T173 HydrophobicContact CG-CG2 4.49Å; F72-T173 HydrophobicContact CZ-CG2 4.49Å; F72-W180 HydrophobicContact CE1-CB 4.35Å; F72-W180 AromaticContact CE1-CD2 3.44Å; F72-W180 HydrophobicContact CE1-CD2 3.44Å; F72-W180 VanDerWaalsContact CE1-CD2 3.44Å; F72-W180 AromaticContact CE1-CE2 3.66Å; F72-W180 AromaticContact CE1-CE3 3.77Å; F72-W180 HydrophobicContact CE1-CE3 3.77Å; F72-W180 AromaticContact CE1-CG 3.7Å; F72-W180 HydrophobicContact CE1-CG 3.7Å; F72-W180 HydrophobicContact CE1-CH2 4.38Å; F72-W180 HydrophobicContact CE1-CZ2 4.13Å; F72-W180 HydrophobicContact CE1-CZ3 4.22Å; F72-W180 HydrophobicContact CZ-CB 3.86Å; F72-W180 AromaticContact CZ-CD2 3.87Å; F72-W180 HydrophobicContact CZ-CD2 3.87Å; F72-W180 HydrophobicContact CZ-CE3 4.19Å; F72-W180 AromaticContact CZ-CG 3.71Å; F72-W180 HydrophobicContact CZ-CG 3.71Å; F72-L182 HydrophobicContact CD1-CD1 3.95Å; F72-L182 HydrophobicContact CE1-CD1 3.88Å; F72-L182 HydrophobicContact CE1-CG 4.45Å; F72-L182 HydrophobicContact CE2-CD2 4.36Å; F72-L182 HydrophobicContact CG-CD1 4.39Å; F72-L182 HydrophobicContact CZ-CD1 4.23Å; F72-L182 HydrophobicContact CZ-CD2 4.34Å; F72-L182 HydrophobicContact CZ-CG 4.41Å |
| 73 | T | 71.9 | Confident | 73 | Confident | 29 Ų | 29 | 41.3 Ų | 41.3 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 110.6 | 165.5 | -73.1 | 0 | 0 | 0 | 0 | 106.9 | E75 K172 | T73-E75 HydrophobicContact CG2-CG 4.24Å; T73-K172 PolarHBondContact N-O 2.79Å; T73-K172 PolarHBondContact O-N 2.87Å |
| 74 | I | 73.1 | Confident | 72.7 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.046 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 118.7 | 179.3 | -54 | 178.3 | 0 | 0 | 0 | 107.9 | F59 V61 W76 L135 V169 I171 | F59-I74 HydrophobicContact CE1-CD1 4.47Å; F59-I74 HydrophobicContact CE1-CG2 4.03Å; V61-I74 HydrophobicContact CG2-CD1 4.26Å; I74-W76 HydrophobicContact CG2-CE3 4.18Å; I74-L135 HydrophobicContact CD1-CD1 4.19Å; I74-V169 HydrophobicContact CG2-CG1 3.81Å; I74-I171 HydrophobicContact CG1-CG1 4.31Å; I74-I171 HydrophobicContact CG1-CG2 4.49Å; I74-I171 HydrophobicContact CG2-CG1 4.35Å |
| 75 | E | 72.1 | Confident | 72.3 | Confident | 21 Ų | 21 | 42.9 Ų | 42.9 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 140.1 | 173.1 | -69.5 | 170.3 | -166.6 | 0 | 0 | 108.8 | T73 T118 V169 S170 K172 | T73-E75 HydrophobicContact CG2-CG 4.24Å; E75-T118 HydrophobicContact CG-CG2 4.24Å; E75-V169 CarbonylContact O-C 3.59Å; E75-V169 WeakPolarHBondContact O-CA 2.98Å; E75-S170 PolarHBondContact N-O 2.78Å; E75-S170 PolarHBondContact O-N 3.5Å; E75-K172 IonicContact OE1-NZ 3.66Å; E75-K172 PolarHBondContact OE1-NZ 3.44Å; E75-K172 WeakPolarHBondContact OE2-CE 3.48Å; E75-K172 IonicContact OE2-NZ 3.6Å; E75-K172 PolarHBondContact OE2-NZ 3.37Å |
| 76 | W | 75.6 | Confident | 71.7 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 147.6 | 176.6 | 62.1 | 82.3 | 0 | 0 | 0 | 112.1 | I74 T117 K119 L135 V156 F167 I168 V169 | I74-W76 HydrophobicContact CG2-CE3 4.18Å; W76-T117 VanDerWaalsContact CD1-OG1 3.22Å; W76-T117 PolarHBondContact NE1-OG1 3.23Å; W76-K119 HydrophobicContact CH2-CB 3.73Å; W76-K119 HydrophobicContact CH2-CD 4.21Å; W76-K119 HydrophobicContact CH2-CG 4.46Å; W76-K119 HydrophobicContact CZ2-CB 4.01Å; W76-K119 HydrophobicContact CZ3-CB 4.41Å; W76-L135 HydrophobicContact CZ3-CD2 4.19Å; W76-V156 VanDerWaalsContact CD1-CG1 3.47Å; W76-V156 HydrophobicContact CD2-CG1 3.52Å; W76-V156 HydrophobicContact CE3-CG1 4.3Å; W76-V156 HydrophobicContact CG-CG1 3.71Å; W76-V156 HydrophobicContact CH2-CG1 4.37Å; W76-V156 HydrophobicContact CZ2-CG1 3.65Å; W76-F167 HydrophobicContact CB-CE1 4.47Å; W76-F167 HydrophobicContact CB-CE2 3.92Å; W76-F167 HydrophobicContact CB-CZ 3.66Å; W76-F167 AromaticContact CD1-CE2 3.87Å; W76-F167 HydrophobicContact CG-CE2 4.13Å; W76-F167 AromaticContact CG-CZ 3.99Å; W76-F167 HydrophobicContact CG-CZ 3.99Å; W76-I168 CarbonylContact C-O 3.55Å; W76-I168 WeakPolarHBondContact CA-O 3.18Å; W76-V169 HydrophobicContact CB-CG2 4.24Å |
| 77 | H | 73.3 | Confident | 71.1 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 127.7 | -179.2 | -54 | -68.2 | 0 | 0 | 0 | 109.7 | C107 F167 I168 | H77-C107 PolarHBondContact CE1-SG 3.24Å; H77-C107 PolarHBondContact ND1-SG 3.38Å; H77-F167 CarbonylContact O-C 3.57Å; H77-F167 WeakPolarHBondContact O-CA 3.4Å; H77-I168 HydrophobicContact CB-CB 4.47Å; H77-I168 PolarHBondContact N-O 3.3Å; H77-I168 PolarHBondContact O-N 3.02Å |
| 78 | L | 78.6 | Confident | 70.5 | Confident | 29 Ų | 29 | 42.9 Ų | 42.9 | 15% | 0.152 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 119.1 | 171 | -179.1 | 63.3 | 0 | 0 | 0 | 108.6 | M51 I57 A157 T159 H165 I166 F167 | M51-L78 HydrophobicContact CE-CD1 4.04Å; I57-L78 HydrophobicContact CD1-CD1 3.54Å; I57-L78 HydrophobicContact CD1-CD2 3.8Å; I57-L78 HydrophobicContact CD1-CG 4.25Å; L78-A157 HydrophobicContact CD2-CB 3.95Å; L78-T159 HydrophobicContact CD2-CG2 4.33Å; L78-H165 HydrophobicContact CD1-CB 4.06Å; L78-I166 WeakPolarHBondContact CA-O 3.35Å; L78-F167 HydrophobicContact CB-CD2 4.17Å; L78-F167 HydrophobicContact CD1-CB 4.32Å; L78-F167 HydrophobicContact CD1-CD2 4.2Å |
| 79 | K | 75.9 | Confident | 69.8 | Low | 41 Ų | 41 | 46.3 Ų | 46.3 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.5 | 179.7 | -171.6 | 173.9 | 175.5 | -170.5 | 0 | 110.4 | H81 H165 I166 | K79-H81 WeakPolarHBondContact CD-NE2 3.49Å; K79-H81 VanDerWaalsContact CE-CE1 3.49Å; K79-H81 WeakPolarHBondContact CE-CE1 3.41Å; K79-H81 WeakPolarHBondContact CE-NE2 3.33Å; K79-H81 PolarHBondContact NZ-CE1 3.39Å; K79-H81 PolarHBondContact NZ-NE2 3.28Å; K79-H165 CarbonylContact O-C 3.55Å; K79-H165 VanDerWaalsContact O-CA 3.23Å; K79-H165 WeakPolarHBondContact O-CA 3.02Å; K79-I166 PolarHBondContact N-O 2.81Å; K79-I166 PolarHBondContact O-N 2.9Å |
| 80 | Y | 80 | Confident | 69.2 | Low | 92 Ų | 92 | 43 Ų | 43 | 36% | 0.361 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 135.2 | 170.7 | 172.4 | -105.3 | 0 | 0 | 0 | 110 | T82 K161 D162 H165 | Y80-T82 HydrophobicContact CD1-CG2 4.41Å; Y80-T82 HydrophobicContact CE1-CG2 3.53Å; Y80-K161 HydrophobicContact CE2-CB 4.4Å; Y80-D162 WeakPolarHBondContact CE2-O 3.49Å; Y80-D162 PolarHBondContact OH-O 2.93Å; Y80-H165 AromaticContact CD2-CE1 3.63Å; Y80-H165 AromaticContact CD2-NE2 3.67Å |
| 81 | H | 75.1 | Confident | 68.7 | Low | 18 Ų | 18 | 45.8 Ų | 45.8 | 8% | 0.083 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.4 | 174.3 | -80 | -102.2 | 0 | 0 | 0 | 110.2 | K79 F164 | K79-H81 WeakPolarHBondContact CD-NE2 3.49Å; K79-H81 VanDerWaalsContact CE-CE1 3.49Å; K79-H81 WeakPolarHBondContact CE-CE1 3.41Å; K79-H81 WeakPolarHBondContact CE-NE2 3.33Å; K79-H81 PolarHBondContact NZ-CE1 3.39Å; K79-H81 PolarHBondContact NZ-NE2 3.28Å; H81-F164 HydrophobicContact CB-CB 4.28Å; H81-F164 PolarHBondContact N-O 2.84Å |
| 82 | T | 73.1 | Confident | 67.8 | Low | 75 Ų | 75 | 47 Ų | 47 | 46% | 0.46 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -80.5 | -23.7 | 172.4 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | Y80 S418 | Y80-T82 HydrophobicContact CD1-CG2 4.41Å; Y80-T82 HydrophobicContact CE1-CG2 3.53Å; T82-S418 WeakPolarHBondContact O-CA 3.38Å; T82-S418 WeakPolarHBondContact O-CB 3.34Å; T82-S418 PolarHBondContact O-OG 2.87Å |
| 83 | C | 73.9 | Confident | 67 | Low | 18 Ų | 18 | 52.4 Ų | 52.4 | 12% | 0.122 | 26% | 0.263 | C | S | . | . | trans | -118.7 | 127.2 | -175.7 | -59 | 0 | 0 | 0 | 0 | 110.4 | N85 C416 | C83-N85 VanDerWaalsContact C-N 3.31Å; C83-N85 PolarHBondContact O-N 2.96Å; C83-C416 WeakPolarHBondContact CA-SG 3.16Å; C83-C416 HydrophobicContact CB-CB 3.85Å; C83-C416 WeakPolarHBondContact CB-SG 3.47Å; C83-C416 WeakPolarHBondContact SG-CB 3.2Å; C83-C416 CovalentContact SG-SG 2.01Å; C83-C416 PolarHBondContact SG-SG 3.27Å | ||
| 84 | H | 68.1 | Low | 66.3 | Low | 79 Ų | 79 | 53.5 Ų | 53.5 | 37% | 0.366 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -66.4 | -31.7 | 176.8 | -168.3 | 72.8 | 0 | 0 | 0 | 113.2 | D86 F164 Q417 | H84-D86 VanDerWaalsContact C-N 3.3Å; H84-D86 PolarHBondContact O-N 3.45Å; H84-F164 HydrophobicContact CB-CD2 4.27Å; H84-F164 HydrophobicContact CB-CE2 3.63Å; H84-F164 HydrophobicContact CB-CZ 3.76Å; H84-F164 AromaticContact CE1-CE1 3.85Å; H84-F164 AromaticContact CG-CZ 3.73Å; H84-F164 AromaticContact ND1-CD1 3.66Å; H84-F164 AromaticContact ND1-CE1 3.13Å; H84-F164 WeakPolarHBondContact ND1-CE1 3.31Å; H84-F164 AromaticContact ND1-CE2 3.84Å; H84-F164 AromaticContact ND1-CZ 3.2Å; H84-F164 WeakPolarHBondContact ND1-CZ 3.31Å; H84-Q417 HydrophobicContact CB-CB 4.04Å; H84-Q417 HydrophobicContact CB-CG 4.34Å; H84-Q417 PolarHBondContact N-O 2.95Å |
| 85 | N | 65.7 | Low | 65.2 | Low | 63 Ų | 63 | 56.6 Ų | 56.6 | 34% | 0.337 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -76 | -7 | -171.1 | -69.1 | -12.4 | 0 | 0 | 0 | 115.2 | C83 Y87 P88 K415 | C83-N85 VanDerWaalsContact C-N 3.31Å; C83-N85 PolarHBondContact O-N 2.96Å; N85-Y87 PolarHBondContact O-N 2.9Å; N85-P88 WeakPolarHBondContact O-CD 3.22Å; N85-K415 PolarHBondContact ND2-O 2.96Å |
| 86 | D | 61 | Low | 64.1 | Low | 78 Ų | 78 | 61.6 Ų | 61.6 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -80.7 | 3.8 | -177.9 | -62.2 | -14.7 | 0 | 0 | 0 | 113.1 | H84 | H84-D86 VanDerWaalsContact C-N 3.3Å; H84-D86 PolarHBondContact O-N 3.45Å |
| 87 | Y | 60.3 | Low | 62.8 | Low | 48 Ų | 48 | 69.4 Ų | 69.4 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -88.4 | -45.6 | -171.6 | 173.8 | -95.7 | 0 | 0 | 0 | 116.7 | N85 D89 L90 E91 I166 | N85-Y87 PolarHBondContact O-N 2.9Å; Y87-D89 PolarHBondContact O-N 2.87Å; Y87-L90 WeakPolarHBondContact O-CA 3.35Å; Y87-L90 WeakPolarHBondContact O-CB 3.09Å; Y87-L90 PolarHBondContact O-N 3.35Å; Y87-E91 HydrophobicContact CE1-CB 4.42Å; Y87-E91 WeakPolarHBondContact CE1-OE2 3.36Å; Y87-E91 PolarHBondContact O-N 3.24Å; Y87-E91 VanDerWaalsContact O-N 3.11Å; Y87-E91 PolarHBondContact OH-OE2 3.33Å; Y87-I166 HydrophobicContact CD2-CD1 3.97Å |
| 88 | P | 55.8 | Low | 61.6 | Low | 72 Ų | 72 | 74 Ų | 74 | 47% | 0.468 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.7 | -35.9 | -177.8 | 18.5 | -29.2 | 0 | 0 | 0 | 112.3 | N85 L90 E91 E92 | N85-P88 WeakPolarHBondContact O-CD 3.22Å; P88-L90 VanDerWaalsContact C-N 3.32Å; P88-L90 PolarHBondContact O-N 3.45Å; P88-E91 PolarHBondContact O-N 3.36Å; P88-E92 WeakPolarHBondContact O-CB 3.24Å; P88-E92 PolarHBondContact O-N 3.48Å; P88-E92 VanDerWaalsContact O-N 3.1Å |
| 89 | D | 53.1 | Low | 59.8 | Low | 103 Ų | 103 | 81 Ų | 81 | 55% | 0.551 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.2 | -37.7 | 174.1 | -63.5 | -20.3 | 0 | 0 | 0 | 111.6 | Y87 E93 | Y87-D89 PolarHBondContact O-N 2.87Å; D89-E93 WeakPolarHBondContact O-CB 3.11Å; D89-E93 WeakPolarHBondContact O-CG 3.5Å; D89-E93 PolarHBondContact O-N 3.37Å |
| 90 | L | 55.6 | Low | 57.8 | Low | 14 Ų | 14 | 85.7 Ų | 85.7 | 7% | 0.073 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -69.7 | -40.6 | 179.9 | -169.3 | 71.6 | 0 | 0 | 0 | 112.6 | Y87 P88 L94 F110 I166 | Y87-L90 WeakPolarHBondContact O-CA 3.35Å; Y87-L90 WeakPolarHBondContact O-CB 3.09Å; Y87-L90 PolarHBondContact O-N 3.35Å; P88-L90 VanDerWaalsContact C-N 3.32Å; P88-L90 PolarHBondContact O-N 3.45Å; L90-L94 HydrophobicContact CG-CD1 4.1Å; L90-L94 WeakPolarHBondContact O-CB 3.16Å; L90-L94 WeakPolarHBondContact O-CD1 3.42Å; L90-L94 PolarHBondContact O-N 3.35Å; L90-F110 HydrophobicContact CD1-CE1 3.93Å; L90-F110 HydrophobicContact CD1-CZ 4.05Å; L90-I166 HydrophobicContact CD2-CD1 3.9Å |
| 91 | E | 56.5 | Low | 55.6 | Low | 62 Ų | 62 | 90.6 Ų | 90.6 | 29% | 0.29 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -72.3 | -37 | 178.8 | -165.5 | -177.3 | 154.1 | 0 | 0 | 111.6 | Y87 P88 S95 K333 | Y87-E91 HydrophobicContact CE1-CB 4.42Å; Y87-E91 WeakPolarHBondContact CE1-OE2 3.36Å; Y87-E91 PolarHBondContact O-N 3.24Å; Y87-E91 VanDerWaalsContact O-N 3.11Å; Y87-E91 PolarHBondContact OH-OE2 3.33Å; P88-E91 PolarHBondContact O-N 3.36Å; E91-S95 VanDerWaalsContact O-CB 3.31Å; E91-S95 WeakPolarHBondContact O-CB 3.48Å; E91-S95 PolarHBondContact O-N 3.45Å; E91-S95 PolarHBondContact O-OG 3.33Å; E91-K333 IonicContact OE1-NZ 3.28Å; E91-K333 PolarHBondContact OE1-NZ 2.61Å; E91-K333 IonicContact OE2-NZ 2.7Å; E91-K333 PolarHBondContact OE2-NZ 3.22Å |
| 92 | E | 53.8 | Low | 54.2 | Low | 116 Ų | 116 | 94.1 Ų | 94.1 | 54% | 0.542 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.9 | -40.8 | 174 | -165.9 | 168.4 | -179.3 | 0 | 0 | 111.5 | P88 S95 Q96 | P88-E92 WeakPolarHBondContact O-CB 3.24Å; P88-E92 PolarHBondContact O-N 3.48Å; P88-E92 VanDerWaalsContact O-N 3.1Å; E92-S95 PolarHBondContact O-N 3.3Å; E92-Q96 WeakPolarHBondContact O-CB 3.4Å; E92-Q96 PolarHBondContact O-N 2.84Å |
| 93 | E | 54.3 | Low | 52.6 | Low | 120 Ų | 120 | 96.5 Ų | 96.5 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.2 | -40.3 | 172.5 | -80.5 | -174.4 | 164.1 | 0 | 0 | 113 | D89 R97 | D89-E93 WeakPolarHBondContact O-CB 3.11Å; D89-E93 WeakPolarHBondContact O-CG 3.5Å; D89-E93 PolarHBondContact O-N 3.37Å; E93-R97 PolarHBondContact O-N 2.77Å |
| 94 | L | 57.3 | Low | 51.4 | Low | 51 Ų | 51 | 99.2 Ų | 99.2 | 27% | 0.267 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 175.8 | -98 | 143 | 0 | 0 | 0 | 112.4 | P44 V46 L90 H98 | P44-L94 HydrophobicContact CG-CD2 3.46Å; P44-L94 VanDerWaalsContact CG-CD2 3.46Å; V46-L94 HydrophobicContact CG2-CD1 4.39Å; L90-L94 HydrophobicContact CG-CD1 4.1Å; L90-L94 WeakPolarHBondContact O-CB 3.16Å; L90-L94 WeakPolarHBondContact O-CD1 3.42Å; L90-L94 PolarHBondContact O-N 3.35Å; L94-H98 PolarHBondContact O-N 3.3Å |
| 95 | S | 50 | Low | 50.4 | Low | 74 Ų | 74 | 98.6 Ų | 98.6 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -78.2 | -45.1 | -179.7 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | E91 E92 R97 H98 | E91-S95 VanDerWaalsContact O-CB 3.31Å; E91-S95 WeakPolarHBondContact O-CB 3.48Å; E91-S95 PolarHBondContact O-N 3.45Å; E91-S95 PolarHBondContact O-OG 3.33Å; E92-S95 PolarHBondContact O-N 3.3Å; S95-R97 VanDerWaalsContact C-N 3.29Å; S95-R97 PolarHBondContact O-N 3.45Å; S95-H98 PolarHBondContact O-N 2.64Å |
| 96 | Q | 49.9 | Very low | 49.5 | Very low | 126 Ų | 126 | 97.8 Ų | 97.8 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.9 | -31.2 | 178.2 | -83.7 | 179.5 | -5.6 | 0 | 0 | 113.2 | E92 | E92-Q96 WeakPolarHBondContact O-CB 3.4Å; E92-Q96 PolarHBondContact O-N 2.84Å |
| 97 | R | 47.1 | Very low | 48.7 | Very low | 166 Ų | 166 | 95.1 Ų | 95.1 | 63% | 0.626 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -6.1 | 179.8 | -86.3 | -140.6 | -88 | -152.8 | -8.4 | 115.5 | E93 S95 E99 L100 | E93-R97 PolarHBondContact O-N 2.77Å; S95-R97 VanDerWaalsContact C-N 3.29Å; S95-R97 PolarHBondContact O-N 3.45Å; R97-E99 PolarHBondContact O-N 3.35Å; R97-L100 PolarHBondContact O-N 2.89Å |
| 98 | H | 48.2 | Very low | 47.8 | Very low | 110 Ų | 110 | 96.1 Ų | 96.1 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.5 | 168.6 | -133.7 | 67.7 | 0 | 0 | 0 | 112.5 | G43 P44 L94 S95 L100 | G43-H98 WeakPolarHBondContact CA-CE1 3.35Å; G43-H98 WeakPolarHBondContact CA-NE2 3.46Å; P44-H98 WeakPolarHBondContact CD-CE1 3.44Å; L94-H98 PolarHBondContact O-N 3.3Å; S95-H98 PolarHBondContact O-N 2.64Å; H98-L100 VanDerWaalsContact C-N 3.31Å; H98-L100 PolarHBondContact O-N 2.67Å |
| 99 | E | 40.5 | Very low | 47.3 | Very low | 176 Ų | 176 | 99 Ų | 99 | 82% | 0.822 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -6.7 | 177.1 | -65.6 | -172.5 | 162 | 0 | 0 | 113.8 | R97 | R97-E99 PolarHBondContact O-N 3.35Š|
| 100 | L | 34 | Very low | 47.1 | Very low | 138 Ų | 138 | 96.9 Ų | 96.9 | 72% | 0.723 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -124.8 | 57.5 | -166.9 | -138.3 | 120 | 0 | 0 | 0 | 113.8 | R97 H98 | R97-L100 PolarHBondContact O-N 2.89Å; H98-L100 VanDerWaalsContact C-N 3.31Å; H98-L100 PolarHBondContact O-N 2.67Å |
| 101 | H | 35.4 | Very low | 46.1 | Very low | 195 Ų | 195 | 105.4 Ų | 105.4 | 90% | 0.903 | 54% | 0.535 | S | S | * | . | trans | 57.8 | 149.2 | 163.7 | -98.3 | -80.8 | 0 | 0 | 0 | 120 | ||||
| 102 | A | 44.3 | Very low | 45.1 | Very low | 93 Ų | 93 | 110.4 Ų | 110.4 | 77% | 0.769 | 56% | 0.564 | S | S | * | * | trans | -70.8 | 139.2 | -171 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 103 | D | 40.1 | Very low | 44.6 | Very low | 125 Ų | 125 | 108.8 Ų | 108.8 | 67% | 0.668 | 56% | 0.558 | S | S | * | * | trans | 88.4 | 148.7 | 157.9 | -138.9 | 39.8 | 0 | 0 | 0 | 118.7 | ||||
| 104 | P | 49.3 | Very low | 43.9 | Very low | 75 Ų | 75 | 109.4 Ų | 109.4 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | S | Bend | cis | -124 | 154.4 | -6 | 26.6 | -4.7 | 0 | 0 | 0 | 115.5 | Y109 | P104-Y109 WeakPolarHBondContact O-CE2 3.2Š|
| 105 | D | 45.5 | Very low | 43 | Very low | 65 Ų | 65 | 109.4 Ų | 109.4 | 35% | 0.348 | 57% | 0.569 | S | S | . | * | trans | 62.6 | 95.6 | 161.2 | -157.5 | 4.5 | 0 | 0 | 0 | 117.2 | C107 A108 Y109 | D105-C107 PolarHBondContact O-N 2.8Å; D105-C107 PolarHBondContact OD1-N 2.89Å; D105-A108 HydrophobicContact CB-CB 3.97Å; D105-A108 PolarHBondContact O-N 2.92Å; D105-Y109 WeakPolarHBondContact O-CD2 3.06Å | ||
| 106 | V | 47.4 | Very low | 42.9 | Very low | 46 Ų | 46 | 114.3 Ų | 114.3 | 28% | 0.279 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -52.9 | -29.2 | 174.6 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | F110 | V106-F110 HydrophobicContact CG1-CE2 3.87Å; V106-F110 WeakPolarHBondContact O-CD2 3.13Å; V106-F110 WeakPolarHBondContact O-CE2 3.14Å |
| 107 | C | 43.8 | Very low | 42.6 | Very low | 23 Ų | 23 | 109.1 Ų | 109.1 | 16% | 0.155 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -77.4 | -28.5 | 176.7 | -79.6 | 0 | 0 | 0 | 0 | 114.9 | H77 D105 Y109 F110 C115 | H77-C107 PolarHBondContact CE1-SG 3.24Å; H77-C107 PolarHBondContact ND1-SG 3.38Å; D105-C107 PolarHBondContact O-N 2.8Å; D105-C107 PolarHBondContact OD1-N 2.89Å; C107-Y109 PolarHBondContact O-N 3.25Å; C107-F110 PolarHBondContact O-N 3.45Å; C107-C115 HydrophobicContact CB-CB 4.07Å; C107-C115 WeakPolarHBondContact CB-SG 3.35Å; C107-C115 WeakPolarHBondContact SG-CB 3.19Å; C107-C115 CovalentContact SG-SG 2.06Å; C107-C115 PolarHBondContact SG-SG 3.06Å |
| 108 | A | 41.5 | Very low | 42.4 | Very low | 69 Ų | 69 | 105.2 Ų | 105.2 | 57% | 0.57 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.7 | -21.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | D105 | D105-A108 HydrophobicContact CB-CB 3.97Å; D105-A108 PolarHBondContact O-N 2.92Å |
| 109 | Y | 46.2 | Very low | 42.4 | Very low | 131 Ų | 131 | 102.9 Ų | 102.9 | 51% | 0.514 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -80.7 | -28.4 | -179.5 | -70.7 | -75.7 | 0 | 0 | 0 | 113.8 | P104 D105 C107 K111 | P104-Y109 WeakPolarHBondContact O-CE2 3.2Å; D105-Y109 WeakPolarHBondContact O-CD2 3.06Å; C107-Y109 PolarHBondContact O-N 3.25Å; Y109-K111 PolarHBondContact O-N 3.49Å; Y109-K111 VanDerWaalsContact O-N 3.07Å |
| 110 | F | 48 | Very low | 42.6 | Very low | 60 Ų | 60 | 98 Ų | 98 | 26% | 0.263 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -86.3 | 74.2 | 179.2 | -63.2 | -73 | 0 | 0 | 0 | 110.8 | L90 V106 C107 N112 I113 | L90-F110 HydrophobicContact CD1-CE1 3.93Å; L90-F110 HydrophobicContact CD1-CZ 4.05Å; V106-F110 HydrophobicContact CG1-CE2 3.87Å; V106-F110 WeakPolarHBondContact O-CD2 3.13Å; V106-F110 WeakPolarHBondContact O-CE2 3.14Å; C107-F110 PolarHBondContact O-N 3.45Å; F110-N112 PolarHBondContact O-N 3.13Å; F110-N112 VanDerWaalsContact O-N 3.07Å; F110-I113 HydrophobicContact CB-CD1 4.36Å |
| 111 | K | 35 | Very low | 43.4 | Very low | 193 Ų | 193 | 93.1 Ų | 93.1 | 84% | 0.839 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 117.6 | 168.3 | -97.2 | 179.4 | 173.6 | 175.4 | 0 | 109.5 | Y109 | Y109-K111 PolarHBondContact O-N 3.49Å; Y109-K111 VanDerWaalsContact O-N 3.07Å |
| 112 | N | 35.3 | Very low | 44 | Very low | 167 Ų | 167 | 89.5 Ų | 89.5 | 89% | 0.893 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 37.1 | 175.8 | -62.7 | -19.1 | 0 | 0 | 0 | 118.9 | F110 | F110-N112 PolarHBondContact O-N 3.13Å; F110-N112 VanDerWaalsContact O-N 3.07Å |
| 113 | I | 43.7 | Very low | 44.5 | Very low | 82 Ų | 82 | 86.9 Ų | 86.9 | 42% | 0.421 | 46% | 0.455 | S | S | . | . | trans | -139.6 | 132.1 | 176.2 | -48 | -178.2 | 0 | 0 | 0 | 111.6 | F110 C115 | F110-I113 HydrophobicContact CB-CD1 4.36Å; I113-C115 PolarHBondContact O-N 3.17Å | ||
| 114 | D | 38.8 | Very low | 45.1 | Very low | 133 Ų | 133 | 85.7 Ų | 85.7 | 71% | 0.711 | 45% | 0.449 | S | S | * | . | trans | -65.5 | 88.8 | 177.7 | -69.2 | -33.4 | 0 | 0 | 0 | 111.1 | W116 | D114-W116 HydrophobicContact CB-CE3 4.18Å; D114-W116 HydrophobicContact CB-CZ3 4.31Å; D114-W116 PolarHBondContact O-N 3.03Å | ||
| 115 | C | 39.5 | Very low | 45.2 | Very low | 51 Ų | 51 | 82.6 Ų | 82.6 | 35% | 0.345 | 43% | 0.429 | S | S | . | . | trans | -67.7 | 107.3 | 164.2 | -89.2 | 0 | 0 | 0 | 0 | 108.9 | C107 I113 | C107-C115 HydrophobicContact CB-CB 4.07Å; C107-C115 WeakPolarHBondContact CB-SG 3.35Å; C107-C115 WeakPolarHBondContact SG-CB 3.19Å; C107-C115 CovalentContact SG-SG 2.06Å; C107-C115 PolarHBondContact SG-SG 3.06Å; I113-C115 PolarHBondContact O-N 3.17Å | ||
| 116 | W | 46.6 | Very low | 45.4 | Very low | 176 Ų | 176 | 82 Ų | 82 | 67% | 0.667 | 43% | 0.429 | S | S | * | . | trans | -83.5 | -22.4 | -169 | -137.3 | -66.3 | 0 | 0 | 0 | 115.6 | D114 | D114-W116 HydrophobicContact CB-CE3 4.18Å; D114-W116 HydrophobicContact CB-CZ3 4.31Å; D114-W116 PolarHBondContact O-N 3.03Å | ||
| 117 | T | 45.3 | Very low | 45.4 | Very low | 18 Ų | 18 | 85 Ų | 85 | 11% | 0.11 | 45% | 0.452 | C | S | . | . | trans | -153 | 97.8 | -175.1 | 53.7 | 0 | 0 | 0 | 0 | 114.6 | W76 N137 | W76-T117 VanDerWaalsContact CD1-OG1 3.22Å; W76-T117 PolarHBondContact NE1-OG1 3.23Å; T117-N137 VanDerWaalsContact CG2-ND2 3.28Å; T117-N137 WeakPolarHBondContact CG2-ND2 3.18Å | ||
| 118 | T | 42.2 | Very low | 45.3 | Very low | 84 Ų | 84 | 90.8 Ų | 90.8 | 52% | 0.515 | 48% | 0.482 | S | S | . | . | trans | -95.8 | 117.3 | 164 | -45.4 | 0 | 0 | 0 | 0 | 108.2 | E75 | E75-T118 HydrophobicContact CG-CG2 4.24Š| ||
| 119 | K | 48.1 | Very low | 45.5 | Very low | 61 Ų | 61 | 89.7 Ų | 89.7 | 27% | 0.265 | 47% | 0.471 | S | S | . | . | trans | -140.1 | 111.2 | 171.8 | -169.4 | -171.7 | 179.7 | -151.4 | 0 | 110.6 | W76 E121 N136 | W76-K119 HydrophobicContact CH2-CB 3.73Å; W76-K119 HydrophobicContact CH2-CD 4.21Å; W76-K119 HydrophobicContact CH2-CG 4.46Å; W76-K119 HydrophobicContact CZ2-CB 4.01Å; W76-K119 HydrophobicContact CZ3-CB 4.41Å; K119-E121 IonicContact NZ-OE1 2.72Å; K119-E121 PolarHBondContact NZ-OE1 2.85Å; K119-N136 PolarHBondContact NZ-O 3.38Å | ||
| 120 | S | 45.5 | Very low | 45.2 | Very low | 72 Ų | 72 | 93 Ų | 93 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | trans | -79.9 | 125 | 170.8 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 121 | E | 49.8 | Very low | 45 | Very low | 36 Ų | 36 | 94 Ų | 94 | 17% | 0.168 | 51% | 0.51 | C | S | . | . | trans | -110.4 | 113.8 | 164.4 | -75.8 | -168.2 | -177.4 | 0 | 0 | 109 | K119 L123 L135 | K119-E121 IonicContact NZ-OE1 2.72Å; K119-E121 PolarHBondContact NZ-OE1 2.85Å; E121-L123 HydrophobicContact CB-CD1 4.04Å; E121-L123 PolarHBondContact O-N 2.84Å; E121-L135 HydrophobicContact CB-CD2 4.48Å; E121-L135 HydrophobicContact CG-CD2 4.31Å; E121-L135 WeakPolarHBondContact OE2-CD2 3.2Å | ||
| 122 | N | 48.9 | Very low | 45.7 | Very low | 119 Ų | 119 | 87 Ų | 87 | 64% | 0.636 | 48% | 0.48 | S | S | * | . | trans | -76.7 | 115.5 | 174.4 | -66.4 | -40.9 | 0 | 0 | 0 | 108.9 | F72 | F72-N122 WeakPolarHBondContact O-CA 3Š| ||
| 123 | L | 54.5 | Low | 46.5 | Very low | 39 Ų | 39 | 82.3 Ų | 82.3 | 20% | 0.204 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.9 | 178.1 | -104.9 | 99.4 | 0 | 0 | 0 | 112.6 | K71 F72 E121 F132 P133 | K71-L123 VanDerWaalsContact CA-O 3.27Å; K71-L123 WeakPolarHBondContact CA-O 3.44Å; F72-L123 PolarHBondContact N-O 2.83Å; E121-L123 HydrophobicContact CB-CD1 4.04Å; E121-L123 PolarHBondContact O-N 2.84Å; L123-F132 HydrophobicContact CD2-CD1 3.73Å; L123-F132 HydrophobicContact CD2-CE1 3.99Å; L123-P133 HydrophobicContact CD1-CG 3.71Å; L123-P133 HydrophobicContact CD2-CG 3.81Å; L123-P133 HydrophobicContact CG-CG 4.22Å |
| 124 | D | 52.6 | Low | 47 | Very low | 100 Ų | 100 | 80.5 Ų | 80.5 | 54% | 0.535 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 116.3 | 173.7 | -118.4 | -26.4 | 0 | 0 | 0 | 109.8 | S126 | D124-S126 PolarHBondContact O-N 3.43Å |
| 125 | C | 51.2 | Low | 47.8 | Very low | 9 Ų | 9 | 74.6 Ų | 74.6 | 6% | 0.061 | 42% | 0.421 | C | S | . | . | trans | -75.9 | 98.5 | 174.5 | -154.4 | 0 | 0 | 0 | 0 | 110.3 | F64 C66 P69 V70 F72 | F64-C125 WeakPolarHBondContact CD2-SG 3.41Å; F64-C125 VanDerWaalsContact CE2-SG 3.5Å; C66-C125 HydrophobicContact CB-CB 3.71Å; C66-C125 WeakPolarHBondContact CB-SG 3.23Å; C66-C125 WeakPolarHBondContact SG-CB 3.46Å; C66-C125 CovalentContact SG-SG 2.03Å; C66-C125 PolarHBondContact SG-SG 3.18Å; P69-C125 WeakPolarHBondContact CA-O 3.17Å; V70-C125 HydrophobicContact CB-CB 4.42Å; V70-C125 PolarHBondContact O-N 2.82Å; F72-C125 HydrophobicContact CE2-CB 3.88Å | ||
| 126 | S | 50.1 | Low | 48.6 | Very low | 52 Ų | 52 | 74 Ų | 74 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | trans | -112.7 | 133.8 | 168.5 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | D124 D128 S129 | D124-S126 PolarHBondContact O-N 3.43Å; S126-D128 PolarHBondContact O-N 3.11Å; S126-S129 PolarHBondContact O-N 2.89Å; S126-S129 PolarHBondContact O-OG 2.87Å | ||
| 127 | S | 46.7 | Very low | 48.9 | Very low | 109 Ų | 109 | 66.7 Ų | 66.7 | 76% | 0.762 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -15 | 176.3 | -42.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 128 | D | 42.7 | Very low | 49 | Very low | 145 Ų | 145 | 73.9 Ų | 73.9 | 78% | 0.775 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -10.4 | 180 | -58.3 | -38 | 0 | 0 | 0 | 113.9 | S126 | S126-D128 PolarHBondContact O-N 3.11Š|
| 129 | S | 44.8 | Very low | 49.4 | Very low | 47 Ų | 47 | 76.5 Ų | 76.5 | 33% | 0.329 | 43% | 0.425 | S | S | . | . | trans | -88.3 | 113.1 | 177.5 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | F64 S126 | F64-S129 VanDerWaalsContact CE1-O 3.26Å; F64-S129 WeakPolarHBondContact CE1-O 3.42Å; F64-S129 WeakPolarHBondContact CZ-O 3.39Å; F64-S129 WeakPolarHBondContact CZ-OG 3.08Å; S126-S129 PolarHBondContact O-N 2.89Å; S126-S129 PolarHBondContact O-OG 2.87Å | ||
| 130 | Q | 39.8 | Very low | 49.5 | Very low | 200 Ų | 200 | 75.6 Ų | 75.6 | 94% | 0.935 | 42% | 0.422 | S | S | * | . | trans | -88.1 | -2.3 | -176 | -79.9 | 179 | -9.9 | 0 | 0 | 114.6 | ||||
| 131 | A | 43 | Very low | 49.4 | Very low | 81 Ų | 81 | 75.9 Ų | 75.9 | 67% | 0.669 | 42% | 0.422 | S | S | * | . | trans | -148.7 | 135.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 132 | F | 51.1 | Low | 48.9 | Very low | 46 Ų | 46 | 77.5 Ų | 77.5 | 20% | 0.202 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 141.1 | 165.1 | -86 | -89.3 | 0 | 0 | 0 | 110.4 | V61 F64 L123 L182 | V61-F132 HydrophobicContact CB-CB 4.29Å; V61-F132 HydrophobicContact CB-CD1 4.11Å; V61-F132 HydrophobicContact CB-CD2 3.5Å; V61-F132 VanDerWaalsContact CB-CD2 3.5Å; V61-F132 HydrophobicContact CB-CE1 4.34Å; V61-F132 HydrophobicContact CB-CE2 3.67Å; V61-F132 HydrophobicContact CB-CG 3.72Å; V61-F132 HydrophobicContact CB-CZ 4.15Å; V61-F132 HydrophobicContact CG1-CD2 3.56Å; V61-F132 HydrophobicContact CG1-CE1 4.31Å; V61-F132 HydrophobicContact CG1-CE2 3.18Å; V61-F132 HydrophobicContact CG1-CG 4.21Å; V61-F132 HydrophobicContact CG1-CZ 3.67Å; V61-F132 HydrophobicContact CG2-CD1 4.31Å; V61-F132 HydrophobicContact CG2-CE1 4.46Å; V61-F132 HydrophobicContact CG2-CG 4.37Å; F64-F132 HydrophobicContact CB-CE2 3.62Å; F64-F132 HydrophobicContact CB-CZ 3.85Å; F64-F132 AromaticContact CD1-CD2 3.7Å; F64-F132 HydrophobicContact CD1-CD2 3.7Å; F64-F132 AromaticContact CD1-CE2 3.07Å; F64-F132 HydrophobicContact CD1-CE2 3.07Å; F64-F132 AromaticContact CD1-CZ 3.78Å; F64-F132 HydrophobicContact CD1-CZ 3.78Å; F64-F132 HydrophobicContact CE1-CD2 4.16Å; F64-F132 AromaticContact CE1-CE2 3.86Å; F64-F132 HydrophobicContact CE1-CE2 3.86Å; F64-F132 HydrophobicContact CE1-CZ 4.47Å; F64-F132 AromaticContact CG-CE2 3.57Å; F64-F132 HydrophobicContact CG-CE2 3.57Å; F64-F132 AromaticContact CG-CZ 3.89Å; F64-F132 HydrophobicContact CG-CZ 3.89Å; L123-F132 HydrophobicContact CD2-CD1 3.73Å; L123-F132 HydrophobicContact CD2-CE1 3.99Å; F132-L182 HydrophobicContact CE2-CD2 4.31Å; F132-L182 HydrophobicContact CZ-CD2 3.73Å |
| 133 | P | 52.4 | Low | 48.6 | Very low | 68 Ų | 68 | 78.5 Ų | 78.5 | 44% | 0.442 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 147.5 | 168.3 | 28.4 | -31.6 | 0 | 0 | 0 | 109.9 | L123 L135 | L123-P133 HydrophobicContact CD1-CG 3.71Å; L123-P133 HydrophobicContact CD2-CG 3.81Å; L123-P133 HydrophobicContact CG-CG 4.22Å; P133-L135 PolarHBondContact O-N 3.3Å |
| 134 | S | 52.7 | Low | 47.9 | Very low | 44 Ų | 44 | 83.5 Ų | 83.5 | 31% | 0.308 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 120.9 | -175.5 | 70.9 | 0 | 0 | 0 | 0 | 111 | N136 T153 D154 | S134-N136 PolarHBondContact O-N 2.65Å; S134-T153 WeakPolarHBondContact CB-O 3.31Å; S134-T153 PolarHBondContact OG-O 3.35Å; S134-D154 WeakPolarHBondContact CA-OD1 3.49Å; S134-D154 WeakPolarHBondContact CB-OD1 3.39Å |
| 135 | L | 56.8 | Low | 46.9 | Very low | 9 Ų | 9 | 86.1 Ų | 86.1 | 5% | 0.047 | 48% | 0.481 | C | S | . | . | trans | -73 | 93 | 179.6 | -70.1 | 166.2 | 0 | 0 | 0 | 109.1 | F59 I74 W76 E121 P133 V156 | F59-L135 HydrophobicContact CD1-CD1 3.43Å; F59-L135 VanDerWaalsContact CD1-CD1 3.43Å; F59-L135 HydrophobicContact CE1-CD1 3.63Å; I74-L135 HydrophobicContact CD1-CD1 4.19Å; W76-L135 HydrophobicContact CZ3-CD2 4.19Å; E121-L135 HydrophobicContact CB-CD2 4.48Å; E121-L135 HydrophobicContact CG-CD2 4.31Å; E121-L135 WeakPolarHBondContact OE2-CD2 3.2Å; P133-L135 PolarHBondContact O-N 3.3Å; L135-V156 HydrophobicContact CB-CG2 3.92Å; L135-V156 WeakPolarHBondContact O-CG2 3.39Å | ||
| 136 | N | 55 | Low | 46.3 | Very low | 40 Ų | 40 | 93.2 Ų | 93.2 | 21% | 0.214 | 52% | 0.517 | C | S | . | . | trans | -108.9 | 136.6 | 178.4 | -91.9 | -33.8 | 0 | 0 | 0 | 112.3 | K119 S134 T153 | K119-N136 PolarHBondContact NZ-O 3.38Å; S134-N136 PolarHBondContact O-N 2.65Å; N136-T153 PolarHBondContact ND2-O 3.01Å; N136-T153 PolarHBondContact OD1-O 3.17Å | ||
| 137 | N | 53.6 | Low | 45.2 | Very low | 22 Ų | 22 | 95.7 Ų | 95.7 | 12% | 0.118 | 54% | 0.535 | C | S | . | . | trans | -82.3 | 116.3 | 164.6 | -172.5 | -6.6 | 0 | 0 | 0 | 110.1 | T117 E139 L140 T141 | T117-N137 VanDerWaalsContact CG2-ND2 3.28Å; T117-N137 WeakPolarHBondContact CG2-ND2 3.18Å; N137-E139 VanDerWaalsContact C-N 3.25Å; N137-E139 PolarHBondContact O-N 3.18Å; N137-E139 PolarHBondContact OD1-N 3.11Å; N137-E139 VanDerWaalsContact OD1-N 3.1Å; N137-L140 HydrophobicContact CB-CB 4.4Å; N137-L140 PolarHBondContact O-N 3.46Å; N137-T141 PolarHBondContact O-OG1 3.1Å | ||
| 138 | K | 48.6 | Very low | 44.5 | Very low | 168 Ų | 168 | 95.9 Ų | 95.9 | 73% | 0.73 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.4 | -23.2 | -178.7 | -70.3 | -176.5 | 178.1 | 178.5 | 0 | 113.2 | T141 | K138-T141 WeakPolarHBondContact CA-OG1 3.42Å; K138-T141 PolarHBondContact O-OG1 2.77Å; K138-T141 VanDerWaalsContact O-OG1 3.06Å |
| 139 | E | 50.6 | Low | 43.8 | Very low | 140 Ų | 140 | 97.5 Ų | 97.5 | 65% | 0.654 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.1 | -30.9 | 176 | -68.1 | -174.9 | 157.1 | 0 | 0 | 112.3 | N137 T141 | N137-E139 VanDerWaalsContact C-N 3.25Å; N137-E139 PolarHBondContact O-N 3.18Å; N137-E139 PolarHBondContact OD1-N 3.11Å; N137-E139 VanDerWaalsContact OD1-N 3.1Å; E139-T141 VanDerWaalsContact C-N 3.3Å; E139-T141 PolarHBondContact O-N 3.25Å |
| 140 | L | 49.9 | Very low | 43.2 | Very low | 41 Ų | 41 | 105.2 Ų | 105.2 | 22% | 0.215 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -72.5 | -24.7 | 179.2 | -121.6 | 80.1 | 0 | 0 | 0 | 113 | N137 V155 R158 | N137-L140 HydrophobicContact CB-CB 4.4Å; N137-L140 PolarHBondContact O-N 3.46Å; L140-V155 HydrophobicContact CD2-CB 4.45Å; L140-V155 HydrophobicContact CD2-CG1 3.67Å; L140-R158 HydrophobicContact CD2-CG 3.89Å |
| 141 | T | 42.3 | Very low | 42.9 | Very low | 79 Ų | 79 | 98.8 Ų | 98.8 | 49% | 0.485 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -80.2 | -20.8 | -177.1 | 12.2 | 0 | 0 | 0 | 0 | 112.8 | N137 K138 E139 I143 R144 | N137-T141 PolarHBondContact O-OG1 3.1Å; K138-T141 WeakPolarHBondContact CA-OG1 3.42Å; K138-T141 PolarHBondContact O-OG1 2.77Å; K138-T141 VanDerWaalsContact O-OG1 3.06Å; E139-T141 VanDerWaalsContact C-N 3.3Å; E139-T141 PolarHBondContact O-N 3.25Å; T141-I143 PolarHBondContact O-N 2.99Å; T141-I143 VanDerWaalsContact O-N 3.12Å; T141-R144 PolarHBondContact O-N 3.23Å |
| 142 | G | 38.7 | Very low | 42.9 | Very low | 69 Ų | 69 | 97.2 Ų | 97.2 | 71% | 0.711 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -12.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 143 | I | 43.8 | Very low | 42.9 | Very low | 141 Ų | 141 | 98.5 Ų | 98.5 | 72% | 0.723 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -13 | -177.8 | -57.3 | 176.2 | 0 | 0 | 0 | 112.3 | T141 N145 | T141-I143 PolarHBondContact O-N 2.99Å; T141-I143 VanDerWaalsContact O-N 3.12Å; I143-N145 PolarHBondContact O-N 2.84Å |
| 144 | R | 39.3 | Very low | 43.5 | Very low | 143 Ų | 143 | 97.5 Ų | 97.5 | 54% | 0.54 | 54% | 0.544 | S | S | . | . | trans | -96.9 | 93.2 | 179.9 | -91.7 | -176.1 | 170.5 | 148.6 | 2.6 | 111.9 | T141 S152 | T141-R144 PolarHBondContact O-N 3.23Å; R144-S152 PolarHBondContact NH1-OG 3.2Å | ||
| 145 | N | 31.7 | Very low | 44.4 | Very low | 155 Ų | 155 | 95.9 Ų | 95.9 | 83% | 0.829 | 53% | 0.532 | S | S | * | . | trans | -82.6 | 113.7 | 157.6 | -85.2 | -19.3 | 0 | 0 | 0 | 110 | I143 | I143-N145 PolarHBondContact O-N 2.84Š| ||
| 146 | I | 38.5 | Very low | 45.4 | Very low | 159 Ų | 159 | 95.5 Ų | 95.5 | 82% | 0.815 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 52 | 96.5 | 151.1 | -51.9 | 165.7 | 0 | 0 | 0 | 116.7 | ||
| 147 | S | 27 | Very low | 46.4 | Very low | 104 Ų | 104 | 93.9 Ų | 93.9 | 73% | 0.727 | 52% | 0.523 | S | S | * | . | -176.9 | 118.7 | 118.4 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 148 | S | 32.9 | Very low | 47.8 | Very low | 113 Ų | 113 | 96.1 Ų | 96.1 | 79% | 0.79 | 53% | 0.529 | S | S | * | . | trans | 7.1 | 107.3 | 155.3 | 53.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 149 | Q | 27.7 | Very low | 49.4 | Very low | 179 Ų | 179 | 88.2 Ų | 88.2 | 84% | 0.836 | 50% | 0.495 | S | S | * | . | trans | -159.6 | 115.4 | 138.9 | -111.5 | 176.1 | 8.5 | 0 | 0 | 110.2 | G151 | Q149-G151 PolarHBondContact O-N 2.94Š| ||
| 150 | E | 32 | Very low | 50.8 | Low | 208 Ų | 208 | 88 Ų | 88 | 97% | 0.972 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 117.9 | 162.3 | -75.8 | 166.2 | 130.8 | 0 | 0 | 108.7 | ||
| 151 | G | 33 | Very low | 52.3 | Low | 65 Ų | 65 | 92.4 Ų | 92.4 | 67% | 0.67 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 142.5 | -6.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q149 T153 | Q149-G151 PolarHBondContact O-N 2.94Å; G151-T153 PolarHBondContact O-N 2.81Å |
| 152 | S | 42.9 | Very low | 54.4 | Low | 48 Ų | 48 | 92.1 Ų | 92.1 | 34% | 0.336 | 51% | 0.507 | S | S | . | . | trans | -90.7 | 22.2 | -174.8 | 172.9 | 0 | 0 | 0 | 0 | 114.8 | R144 | R144-S152 PolarHBondContact NH1-OG 3.2Š| ||
| 153 | T | 51.8 | Low | 56.6 | Low | 74 Ų | 74 | 88.8 Ų | 88.8 | 45% | 0.454 | 47% | 0.473 | S | S | . | . | trans | -92.4 | -10.2 | -162.8 | 48.4 | 0 | 0 | 0 | 0 | 116.8 | S134 N136 G151 | S134-T153 WeakPolarHBondContact CB-O 3.31Å; S134-T153 PolarHBondContact OG-O 3.35Å; N136-T153 PolarHBondContact ND2-O 3.01Å; N136-T153 PolarHBondContact OD1-O 3.17Å; G151-T153 PolarHBondContact O-N 2.81Å | ||
| 154 | D | 64.1 | Low | 58.4 | Low | 47 Ų | 47 | 82.9 Ų | 82.9 | 25% | 0.251 | 44% | 0.442 | S | S | . | . | trans | -121.1 | 25.5 | -170.2 | -59.3 | -26.5 | 0 | 0 | 0 | 115.3 | K58 F59 S134 V156 | K58-D154 WeakPolarHBondContact CA-O 3.5Å; K58-D154 HydrophobicContact CB-CB 4.49Å; K58-D154 WeakPolarHBondContact CB-O 3.49Å; F59-D154 PolarHBondContact N-O 2.89Å; S134-D154 WeakPolarHBondContact CA-OD1 3.49Å; S134-D154 WeakPolarHBondContact CB-OD1 3.39Å; D154-V156 PolarHBondContact O-N 2.72Å | ||
| 155 | V | 73.1 | Confident | 60.6 | Low | 10 Ų | 10 | 76.4 Ų | 76.4 | 6% | 0.061 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 114.5 | -177.9 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | E56 K58 L140 R158 | E56-V155 HydrophobicContact CB-CG1 4.33Å; K58-V155 HydrophobicContact CG-CG2 4.13Å; L140-V155 HydrophobicContact CD2-CB 4.45Å; L140-V155 HydrophobicContact CD2-CG1 3.67Å; V155-R158 HydrophobicContact CG1-CG 4.48Å |
| 156 | V | 76.3 | Confident | 63 | Low | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -37.2 | -173.6 | 176.1 | 0 | 0 | 0 | 0 | 112.2 | I57 F59 W76 L135 D154 F167 | I57-V156 PolarHBondContact O-N 2.94Å; F59-V156 HydrophobicContact CB-CB 4.42Å; F59-V156 HydrophobicContact CB-CG2 3.84Å; W76-V156 VanDerWaalsContact CD1-CG1 3.47Å; W76-V156 HydrophobicContact CD2-CG1 3.52Å; W76-V156 HydrophobicContact CE3-CG1 4.3Å; W76-V156 HydrophobicContact CG-CG1 3.71Å; W76-V156 HydrophobicContact CH2-CG1 4.37Å; W76-V156 HydrophobicContact CZ2-CG1 3.65Å; L135-V156 HydrophobicContact CB-CG2 3.92Å; L135-V156 WeakPolarHBondContact O-CG2 3.39Å; D154-V156 PolarHBondContact O-N 2.72Å; V156-F167 HydrophobicContact CG1-CE2 4.49Å; V156-F167 HydrophobicContact CG1-CZ 4.15Å |
| 157 | A | 77.4 | Confident | 65.1 | Low | 7 Ų | 7 | 62 Ų | 62 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 159.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I57 L78 | I57-A157 HydrophobicContact CB-CB 4.3Å; I57-A157 HydrophobicContact CD1-CB 4.18Å; I57-A157 HydrophobicContact CG1-CB 4.5Å; I57-A157 PolarHBondContact N-O 2.91Å; I57-A157 PolarHBondContact O-N 2.95Å; L78-A157 HydrophobicContact CD2-CB 3.95Å |
| 158 | R | 82.1 | Confident | 67.7 | Low | 69 Ų | 69 | 57.5 Ų | 57.5 | 26% | 0.26 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 136.5 | 171.9 | -84.3 | 177.9 | -178.2 | 168.2 | -0.4 | 110.6 | T55 E56 L140 V155 | T55-R158 VanDerWaalsContact O-CA 3.32Å; T55-R158 WeakPolarHBondContact O-CA 3.46Å; E56-R158 HydrophobicContact CG-CG 4.16Å; E56-R158 IonicContact OE1-CZ 2.77Å; E56-R158 IonicContact OE1-NE 3.39Å; E56-R158 PolarHBondContact OE1-NE 2.87Å; E56-R158 IonicContact OE1-NH2 2.8Å; E56-R158 PolarHBondContact OE1-NH2 3.37Å; L140-R158 HydrophobicContact CD2-CG 3.89Å; V155-R158 HydrophobicContact CG1-CG 4.48Å |
| 159 | T | 83.2 | Confident | 69.9 | Low | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | trans | -76.1 | 146.3 | 175.5 | 59.4 | 0 | 0 | 0 | 0 | 111 | M51 F52 N53 S54 T55 L78 | M51-T159 HydrophobicContact CB-CG2 4.03Å; M51-T159 HydrophobicContact CE-CG2 3.74Å; M51-T159 HydrophobicContact SD-CG2 3.96Å; F52-T159 PolarHBondContact O-OG1 2.99Å; N53-T159 PolarHBondContact OD1-O 3.48Å; S54-T159 WeakPolarHBondContact CA-O 3.43Å; S54-T159 PolarHBondContact N-O 3.46Å; S54-T159 PolarHBondContact N-OG1 3.38Å; T55-T159 WeakPolarHBondContact CB-OG1 3.24Å; T55-T159 PolarHBondContact N-OG1 2.96Å; T55-T159 PolarHBondContact O-N 3.39Å; T55-T159 VanDerWaalsContact O-N 3.12Å; L78-T159 HydrophobicContact CD2-CG2 4.33Å | ||
| 160 | Q | 78.6 | Confident | 72.3 | Confident | 135 Ų | 135 | 44.5 Ų | 44.5 | 63% | 0.631 | 24% | 0.239 | S | C | * | . | trans | -106.8 | -16.1 | -178.5 | -62.2 | -66.3 | -34.7 | 0 | 0 | 113.1 | N53 | N53-Q160 PolarHBondContact ND2-O 2.94Å; N53-Q160 VanDerWaalsContact OD1-C 3.25Å; N53-Q160 PolarHBondContact OD1-O 2.83Å | ||
| 161 | K | 81.8 | Confident | 74.5 | Confident | 133 Ų | 133 | 36 Ų | 36 | 58% | 0.578 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -142.4 | 159.1 | -175.5 | -67.4 | -175 | 178.7 | 178.3 | 0 | 109.8 | Y80 H165 | Y80-K161 HydrophobicContact CE2-CB 4.4Å; K161-H165 PolarHBondContact O-CE1 3.23Å |
| 162 | D | 86.3 | Confident | 76.5 | Confident | 73 Ų | 73 | 35.7 Ų | 35.7 | 39% | 0.39 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -77 | 136.8 | 170.1 | -56.3 | -42.1 | 0 | 0 | 0 | 110 | M51 F52 N53 Y80 W420 | M51-D162 WeakPolarHBondContact O-CA 3.47Å; F52-D162 VanDerWaalsContact CA-OD1 3.24Å; F52-D162 WeakPolarHBondContact CA-OD1 3.01Å; N53-D162 WeakPolarHBondContact CB-OD1 3.49Å; N53-D162 PolarHBondContact N-OD1 2.57Å; Y80-D162 WeakPolarHBondContact CE2-O 3.49Å; Y80-D162 PolarHBondContact OH-O 2.93Å; D162-W420 HydrophobicContact CB-CH2 3.97Å; D162-W420 HydrophobicContact CB-CZ2 3.83Å |
| 163 | G | 84.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 144.4 | -161.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | M51 H165 W420 | M51-G163 PolarHBondContact N-O 2.8Å; M51-G163 PolarHBondContact O-N 2.8Å; G163-H165 PolarHBondContact O-N 2.99Å; G163-H165 PolarHBondContact O-ND1 2.78Å; G163-W420 VanDerWaalsContact CA-CZ2 3.47Å |
| 164 | F | 83.3 | Confident | 78.7 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 127.6 | -176.2 | -61.7 | -70.1 | 0 | 0 | 0 | 111.1 | T50 H81 H84 W420 | T50-F164 HydrophobicContact CG2-CD1 4.07Å; T50-F164 HydrophobicContact CG2-CE1 4.15Å; T50-F164 WeakPolarHBondContact OG1-CD1 3.26Å; T50-F164 WeakPolarHBondContact OG1-CE1 3.38Å; H81-F164 HydrophobicContact CB-CB 4.28Å; H81-F164 PolarHBondContact N-O 2.84Å; H84-F164 HydrophobicContact CB-CD2 4.27Å; H84-F164 HydrophobicContact CB-CE2 3.63Å; H84-F164 HydrophobicContact CB-CZ 3.76Å; H84-F164 AromaticContact CE1-CE1 3.85Å; H84-F164 AromaticContact CG-CZ 3.73Å; H84-F164 AromaticContact ND1-CD1 3.66Å; H84-F164 AromaticContact ND1-CE1 3.13Å; H84-F164 WeakPolarHBondContact ND1-CE1 3.31Å; H84-F164 AromaticContact ND1-CE2 3.84Å; H84-F164 AromaticContact ND1-CZ 3.2Å; H84-F164 WeakPolarHBondContact ND1-CZ 3.31Å; F164-W420 HydrophobicContact CD2-CB 4.41Å; F164-W420 AromaticContact CD2-CD1 3.92Å; F164-W420 HydrophobicContact CD2-CG 4.28Å; F164-W420 HydrophobicContact CE1-CB 4.07Å; F164-W420 HydrophobicContact CE2-CB 3.34Å; F164-W420 AromaticContact CE2-CD1 3.52Å; F164-W420 AromaticContact CE2-CG 3.61Å; F164-W420 HydrophobicContact CE2-CG 3.61Å; F164-W420 HydrophobicContact CZ-CB 3.13Å; F164-W420 AromaticContact CZ-CG 3.78Å; F164-W420 HydrophobicContact CZ-CG 3.78Å |
| 165 | H | 84 | Confident | 78.9 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 141.3 | 176.7 | -69 | 81.4 | 0 | 0 | 0 | 110.2 | K49 M51 L78 K79 Y80 K161 G163 | K49-H165 PolarHBondContact N-O 2.95Å; K49-H165 PolarHBondContact O-N 3.19Å; K49-H165 VanDerWaalsContact O-N 3.13Å; M51-H165 HydrophobicContact CE-CB 3.12Å; L78-H165 HydrophobicContact CD1-CB 4.06Å; K79-H165 CarbonylContact O-C 3.55Å; K79-H165 VanDerWaalsContact O-CA 3.23Å; K79-H165 WeakPolarHBondContact O-CA 3.02Å; Y80-H165 AromaticContact CD2-CE1 3.63Å; Y80-H165 AromaticContact CD2-NE2 3.67Å; K161-H165 PolarHBondContact O-CE1 3.23Å; G163-H165 PolarHBondContact O-N 2.99Å; G163-H165 PolarHBondContact O-ND1 2.78Å |
| 166 | I | 82.6 | Confident | 78.5 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.6 | 175.6 | -54.5 | -180 | 0 | 0 | 0 | 107.2 | V46 F47 L78 K79 Y87 L90 I168 | V46-I166 HydrophobicContact CG1-CG2 3.65Å; F47-I166 WeakPolarHBondContact O-CA 3.44Å; L78-I166 WeakPolarHBondContact CA-O 3.35Å; K79-I166 PolarHBondContact N-O 2.81Å; K79-I166 PolarHBondContact O-N 2.9Å; Y87-I166 HydrophobicContact CD2-CD1 3.97Å; L90-I166 HydrophobicContact CD2-CD1 3.9Å; I166-I168 HydrophobicContact CG2-CD1 4.35Å; I166-I168 HydrophobicContact CG2-CG1 3.88Å |
| 167 | F | 83.1 | Confident | 78 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 112.9 | 175 | -172.3 | -108.6 | 0 | 0 | 0 | 109 | F47 I57 W76 H77 L78 V156 V169 L186 M188 | F47-F167 HydrophobicContact CB-CB 4.39Å; F47-F167 HydrophobicContact CD2-CD1 4.16Å; F47-F167 PolarHBondContact N-O 2.03Å; F47-F167 PolarHBondContact O-N 2.96Å; I57-F167 HydrophobicContact CD1-CD2 4.13Å; I57-F167 HydrophobicContact CG2-CD1 4.4Å; I57-F167 HydrophobicContact CG2-CD2 4.35Å; I57-F167 HydrophobicContact CG2-CE1 4.29Å; I57-F167 HydrophobicContact CG2-CE2 4.26Å; I57-F167 HydrophobicContact CG2-CG 4.41Å; I57-F167 HydrophobicContact CG2-CZ 4.23Å; W76-F167 HydrophobicContact CB-CE1 4.47Å; W76-F167 HydrophobicContact CB-CE2 3.92Å; W76-F167 HydrophobicContact CB-CZ 3.66Å; W76-F167 AromaticContact CD1-CE2 3.87Å; W76-F167 HydrophobicContact CG-CE2 4.13Å; W76-F167 AromaticContact CG-CZ 3.99Å; W76-F167 HydrophobicContact CG-CZ 3.99Å; H77-F167 CarbonylContact O-C 3.57Å; H77-F167 WeakPolarHBondContact O-CA 3.4Å; L78-F167 HydrophobicContact CB-CD2 4.17Å; L78-F167 HydrophobicContact CD1-CB 4.32Å; L78-F167 HydrophobicContact CD1-CD2 4.2Å; V156-F167 HydrophobicContact CG1-CE2 4.49Å; V156-F167 HydrophobicContact CG1-CZ 4.15Å; F167-V169 HydrophobicContact CD1-CG2 3.71Å; F167-V169 HydrophobicContact CE1-CG2 3.22Å; F167-V169 HydrophobicContact CZ-CG2 3.94Å; F167-L186 HydrophobicContact CD1-CD1 3.77Å; F167-L186 HydrophobicContact CD1-CD2 3.8Å; F167-L186 HydrophobicContact CD1-CG 4.49Å; F167-L186 HydrophobicContact CE1-CD1 3.58Å; F167-L186 HydrophobicContact CE1-CD2 4.38Å; F167-L186 HydrophobicContact CZ-CD1 4.49Å; F167-M188 HydrophobicContact CB-CE 3.74Å; F167-M188 HydrophobicContact CG-CE 4.45Å |
| 168 | I | 81.3 | Confident | 77.6 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129.2 | -178.4 | -54.8 | 176.2 | 0 | 0 | 0 | 107.9 | P44 L45 V46 W76 H77 I166 | P44-I168 HydrophobicContact CB-CG2 4.14Å; L45-I168 CarbonylContact O-C 3.56Å; L45-I168 VanDerWaalsContact O-CA 3.31Å; L45-I168 WeakPolarHBondContact O-CA 3.3Å; V46-I168 HydrophobicContact CG1-CG1 4.46Å; V46-I168 HydrophobicContact CG2-CG1 4.39Å; V46-I168 HydrophobicContact CG2-CG2 4.48Å; W76-I168 CarbonylContact C-O 3.55Å; W76-I168 WeakPolarHBondContact CA-O 3.18Å; H77-I168 HydrophobicContact CB-CB 4.47Å; H77-I168 PolarHBondContact N-O 3.3Å; H77-I168 PolarHBondContact O-N 3.02Å; I166-I168 HydrophobicContact CG2-CD1 4.35Å; I166-I168 HydrophobicContact CG2-CG1 3.88Å |
| 169 | V | 79.8 | Confident | 77.3 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 122.4 | 174.7 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | P44 L45 F47 F59 I74 E75 W76 F167 I171 | P44-V169 CarbonylContact C-O 3.52Å; P44-V169 WeakPolarHBondContact CA-O 3.29Å; L45-V169 HydrophobicContact CB-CB 4.33Å; L45-V169 PolarHBondContact N-O 3.31Å; L45-V169 PolarHBondContact O-N 3.3Å; F47-V169 HydrophobicContact CE2-CG2 4.41Å; F59-V169 HydrophobicContact CE1-CG1 4.35Å; F59-V169 HydrophobicContact CE2-CG1 4.34Å; F59-V169 HydrophobicContact CE2-CG2 4.27Å; F59-V169 HydrophobicContact CZ-CG1 3.89Å; I74-V169 HydrophobicContact CG2-CG1 3.81Å; E75-V169 CarbonylContact O-C 3.59Å; E75-V169 WeakPolarHBondContact O-CA 2.98Å; W76-V169 HydrophobicContact CB-CG2 4.24Å; F167-V169 HydrophobicContact CD1-CG2 3.71Å; F167-V169 HydrophobicContact CE1-CG2 3.22Å; F167-V169 HydrophobicContact CZ-CG2 3.94Å; V169-I171 HydrophobicContact CG1-CG1 4.29Å |
| 170 | S | 78.3 | Confident | 77.1 | Confident | 18 Ų | 18 | 56 Ų | 56 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.8 | 172.5 | -175 | 0 | 0 | 0 | 0 | 109.1 | E75 | E75-S170 PolarHBondContact N-O 2.78Å; E75-S170 PolarHBondContact O-N 3.5Å |
| 171 | I | 76.5 | Confident | 77.2 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116.1 | 176.4 | -58.1 | 177 | 0 | 0 | 0 | 106.9 | V38 F72 I74 V169 W180 L182 V184 | V38-I171 HydrophobicContact CB-CD1 4.42Å; V38-I171 HydrophobicContact CG1-CD1 4.25Å; V38-I171 HydrophobicContact CG2-CD1 4.39Å; F72-I171 HydrophobicContact CD1-CG2 3.9Å; I74-I171 HydrophobicContact CG1-CG1 4.31Å; I74-I171 HydrophobicContact CG1-CG2 4.49Å; I74-I171 HydrophobicContact CG2-CG1 4.35Å; V169-I171 HydrophobicContact CG1-CG1 4.29Å; I171-W180 HydrophobicContact CB-CH2 4.37Å; I171-W180 HydrophobicContact CG2-CH2 3.91Å; I171-W180 HydrophobicContact CG2-CZ3 4.46Å; I171-L182 HydrophobicContact CD1-CD1 4.04Å; I171-L182 HydrophobicContact CG2-CD1 3.99Å; I171-V184 HydrophobicContact CD1-CG1 4.34Å |
| 172 | K | 75.2 | Confident | 77.1 | Confident | 58 Ų | 58 | 46.5 Ų | 46.5 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 148 | 178.7 | -63 | 178.3 | -173.2 | 163.3 | 0 | 110.3 | F72 T73 E75 | F72-K172 CarbonylContact C-O 3.45Å; F72-K172 WeakPolarHBondContact CA-O 3.18Å; T73-K172 PolarHBondContact N-O 2.79Å; T73-K172 PolarHBondContact O-N 2.87Å; E75-K172 IonicContact OE1-NZ 3.66Å; E75-K172 PolarHBondContact OE1-NZ 3.44Å; E75-K172 WeakPolarHBondContact OE2-CE 3.48Å; E75-K172 IonicContact OE2-NZ 3.6Å; E75-K172 PolarHBondContact OE2-NZ 3.37Å |
| 173 | T | 73 | Confident | 76.9 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 23% | 0.233 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 143.4 | 173.7 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | V70 K71 F72 K175 W180 | V70-T173 HydrophobicContact CG1-CG2 3.79Å; K71-T173 WeakPolarHBondContact O-CA 3.47Å; F72-T173 HydrophobicContact CD1-CG2 3.41Å; F72-T173 VanDerWaalsContact CD1-CG2 3.41Å; F72-T173 HydrophobicContact CE1-CG2 3.41Å; F72-T173 VanDerWaalsContact CE1-CG2 3.41Å; F72-T173 HydrophobicContact CG-CG2 4.49Å; F72-T173 HydrophobicContact CZ-CG2 4.49Å; T173-K175 VanDerWaalsContact C-N 3.26Å; T173-K175 PolarHBondContact O-N 2.84Å; T173-K175 PolarHBondContact OG1-O 2.84Å; T173-W180 HydrophobicContact CG2-CZ2 3.81Å |
| 174 | E | 69.3 | Low | 76.9 | Confident | 148 Ų | 148 | 45.2 Ų | 45.2 | 69% | 0.692 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -70.1 | -25 | 177.8 | -166.7 | 176.6 | -162.6 | 0 | 0 | 112.2 | K71 | K71-E174 WeakPolarHBondContact CD-OE2 3.4Å; K71-E174 PolarHBondContact O-N 3.18Å |
| 175 | K | 67.1 | Low | 77 | Confident | 122 Ų | 122 | 44.8 Ų | 44.8 | 53% | 0.53 | 24% | 0.238 | S | C | . | . | trans | -108.8 | 124.1 | 173.2 | -68.5 | 177.7 | -175.4 | 165.3 | 0 | 109.8 | P69 T173 A178 | P69-K175 PolarHBondContact O-NZ 3.19Å; T173-K175 VanDerWaalsContact C-N 3.26Å; T173-K175 PolarHBondContact O-N 2.84Å; T173-K175 PolarHBondContact OG1-O 2.84Å; K175-A178 HydrophobicContact CB-CB 4.21Å | ||
| 176 | T | 64.9 | Low | 77.2 | Confident | 117 Ų | 117 | 44.5 Ų | 44.5 | 72% | 0.718 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -21.9 | 178.7 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 177 | D | 65.8 | Low | 77.5 | Confident | 151 Ų | 151 | 44.9 Ų | 44.9 | 81% | 0.807 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 8 | -172 | -55.2 | -18.6 | 0 | 0 | 0 | 113.3 | ||
| 178 | A | 68.4 | Low | 77.7 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | trans | -88.2 | 127.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111 | V70 K175 | V70-A178 HydrophobicContact CG1-CB 4.38Å; V70-A178 HydrophobicContact CG2-CB 3.51Å; K175-A178 HydrophobicContact CB-CB 4.21Å | ||
| 179 | V | 76.1 | Confident | 78.1 | Confident | 82 Ų | 82 | 45.9 Ų | 45.9 | 50% | 0.497 | 25% | 0.246 | S | C | . | . | trans | -84.3 | 121.9 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | S67 | S67-V179 PolarHBondContact N-O 2.82Š| ||
| 180 | W | 79.8 | Confident | 78.5 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 4% | 0.038 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 150 | 178.6 | 55.2 | -93.5 | 0 | 0 | 0 | 111.5 | V38 N39 S65 F72 I171 T173 L182 | V38-W180 HydrophobicContact CB-CZ3 4.3Å; V38-W180 HydrophobicContact CG1-CH2 4.08Å; V38-W180 HydrophobicContact CG1-CZ3 4.06Å; V38-W180 WeakPolarHBondContact O-CZ3 3.42Å; N39-W180 WeakPolarHBondContact CA-O 3.38Å; S65-W180 CarbonylContact O-C 3.52Å; S65-W180 VanDerWaalsContact O-CA 3.23Å; S65-W180 WeakPolarHBondContact O-CA 3.4Å; F72-W180 HydrophobicContact CE1-CB 4.35Å; F72-W180 AromaticContact CE1-CD2 3.44Å; F72-W180 HydrophobicContact CE1-CD2 3.44Å; F72-W180 VanDerWaalsContact CE1-CD2 3.44Å; F72-W180 AromaticContact CE1-CE2 3.66Å; F72-W180 AromaticContact CE1-CE3 3.77Å; F72-W180 HydrophobicContact CE1-CE3 3.77Å; F72-W180 AromaticContact CE1-CG 3.7Å; F72-W180 HydrophobicContact CE1-CG 3.7Å; F72-W180 HydrophobicContact CE1-CH2 4.38Å; F72-W180 HydrophobicContact CE1-CZ2 4.13Å; F72-W180 HydrophobicContact CE1-CZ3 4.22Å; F72-W180 HydrophobicContact CZ-CB 3.86Å; F72-W180 AromaticContact CZ-CD2 3.87Å; F72-W180 HydrophobicContact CZ-CD2 3.87Å; F72-W180 HydrophobicContact CZ-CE3 4.19Å; F72-W180 AromaticContact CZ-CG 3.71Å; F72-W180 HydrophobicContact CZ-CG 3.71Å; I171-W180 HydrophobicContact CB-CH2 4.37Å; I171-W180 HydrophobicContact CG2-CH2 3.91Å; I171-W180 HydrophobicContact CG2-CZ3 4.46Å; T173-W180 HydrophobicContact CG2-CZ2 3.81Å; W180-L182 HydrophobicContact CE3-CB 4.34Å; W180-L182 HydrophobicContact CE3-CD1 3.87Å; W180-L182 HydrophobicContact CE3-CG 3.66Å; W180-L182 HydrophobicContact CH2-CD1 4.4Å; W180-L182 HydrophobicContact CZ3-CB 4.18Å; W180-L182 HydrophobicContact CZ3-CD1 3.59Å; W180-L182 HydrophobicContact CZ3-CG 3.76Å |
| 181 | D | 80.1 | Confident | 78.8 | Confident | 66 Ų | 66 | 49.5 Ų | 49.5 | 35% | 0.353 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.3 | 173.8 | -62.6 | -31.9 | 0 | 0 | 0 | 109.4 | V38 N39 F64 S65 | V38-D181 CarbonylContact O-C 3.55Å; V38-D181 WeakPolarHBondContact O-CA 3.41Å; N39-D181 PolarHBondContact ND2-OD1 3.24Å; F64-D181 CarbonylContact C-O 3.6Å; F64-D181 VanDerWaalsContact CA-O 3.29Å; F64-D181 WeakPolarHBondContact CA-O 3.36Å; S65-D181 PolarHBondContact N-O 3.39Å; S65-D181 PolarHBondContact O-N 2.8Å |
| 182 | L | 79.1 | Confident | 79.3 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.4 | 177.1 | -67 | 176 | 0 | 0 | 0 | 110.1 | T37 V38 V61 F64 F72 F132 I171 W180 V184 | T37-L182 CarbonylContact C-O 3.52Å; T37-L182 WeakPolarHBondContact CA-O 3.35Å; V38-L182 PolarHBondContact N-O 3.01Å; V38-L182 PolarHBondContact O-N 3.36Å; V61-L182 HydrophobicContact CG1-CD2 4.19Å; F64-L182 HydrophobicContact CB-CD2 3.52Å; F72-L182 HydrophobicContact CD1-CD1 3.95Å; F72-L182 HydrophobicContact CE1-CD1 3.88Å; F72-L182 HydrophobicContact CE1-CG 4.45Å; F72-L182 HydrophobicContact CE2-CD2 4.36Å; F72-L182 HydrophobicContact CG-CD1 4.39Å; F72-L182 HydrophobicContact CZ-CD1 4.23Å; F72-L182 HydrophobicContact CZ-CD2 4.34Å; F72-L182 HydrophobicContact CZ-CG 4.41Å; F132-L182 HydrophobicContact CE2-CD2 4.31Å; F132-L182 HydrophobicContact CZ-CD2 3.73Å; I171-L182 HydrophobicContact CD1-CD1 4.04Å; I171-L182 HydrophobicContact CG2-CD1 3.99Å; W180-L182 HydrophobicContact CE3-CB 4.34Å; W180-L182 HydrophobicContact CE3-CD1 3.87Å; W180-L182 HydrophobicContact CE3-CG 3.66Å; W180-L182 HydrophobicContact CH2-CD1 4.4Å; W180-L182 HydrophobicContact CZ3-CB 4.18Å; W180-L182 HydrophobicContact CZ3-CD1 3.59Å; W180-L182 HydrophobicContact CZ3-CG 3.76Å; L182-V184 HydrophobicContact CB-CG1 4.39Å |
| 183 | N | 83.9 | Confident | 79.9 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 105.8 | 171.6 | -170.6 | 5.3 | 0 | 0 | 0 | 109.3 | T37 K62 S63 | T37-N183 HydrophobicContact CG2-CB 4.47Å; K62-N183 PolarHBondContact N-O 3.23Å; S63-N183 PolarHBondContact O-N 2.79Å; S63-N183 WeakPolarHBondContact OG-CB 3.49Å; S63-N183 PolarHBondContact OG-ND2 3.24Å |
| 184 | V | 83.7 | Confident | 80.6 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 141.3 | -178.3 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | T35 R36 V38 L45 F59 V61 I171 L182 | T35-V184 WeakPolarHBondContact CA-O 3.32Å; R36-V184 HydrophobicContact CB-CG2 4.41Å; R36-V184 PolarHBondContact N-O 3.33Å; R36-V184 WeakPolarHBondContact O-CG2 3.23Å; R36-V184 PolarHBondContact O-N 2.84Å; V38-V184 HydrophobicContact CG2-CG1 4.41Å; V38-V184 HydrophobicContact CG2-CG2 4Å; L45-V184 HydrophobicContact CD1-CG2 3.56Å; F59-V184 HydrophobicContact CE2-CB 3.73Å; F59-V184 HydrophobicContact CE2-CG1 4.24Å; F59-V184 HydrophobicContact CE2-CG2 4.03Å; F59-V184 HydrophobicContact CZ-CB 3.88Å; F59-V184 HydrophobicContact CZ-CG1 3.87Å; F59-V184 HydrophobicContact CZ-CG2 4.44Å; V61-V184 HydrophobicContact CG1-CG1 4.4Å; V61-V184 HydrophobicContact CG2-CG1 4.24Å; I171-V184 HydrophobicContact CD1-CG1 4.34Å; L182-V184 HydrophobicContact CB-CG1 4.39Å |
| 185 | S | 85.9 | Confident | 81.5 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 128.4 | 170.1 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | W34 F59 S60 K62 | W34-S185 VanDerWaalsContact O-CA 3.3Å; W34-S185 WeakPolarHBondContact O-CA 3.38Å; F59-S185 WeakPolarHBondContact CA-O 3.31Å; S60-S185 PolarHBondContact N-O 2.79Å; S60-S185 PolarHBondContact O-N 3.08Å; S60-S185 PolarHBondContact O-OG 3.13Å; S60-S185 PolarHBondContact OG-OG 3.36Å; K62-S185 VanDerWaalsContact CE-CB 3.49Å; K62-S185 VanDerWaalsContact CE-OG 3.24Å; K62-S185 WeakPolarHBondContact CE-OG 3.41Å; K62-S185 WeakPolarHBondContact CG-OG 3.45Å |
| 186 | L | 87.3 | Confident | 82.5 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.4 | 174.4 | -177.5 | 71.4 | 0 | 0 | 0 | 108.8 | L33 W34 F47 I57 K58 F59 F167 M188 | L33-L186 WeakPolarHBondContact CA-O 3.39Å; W34-L186 HydrophobicContact CB-CB 4.46Å; W34-L186 HydrophobicContact CE3-CB 4.19Å; W34-L186 HydrophobicContact CE3-CD2 3.88Å; W34-L186 HydrophobicContact CE3-CG 4.06Å; W34-L186 HydrophobicContact CZ3-CD2 4.16Å; W34-L186 HydrophobicContact CZ3-CG 4.42Å; W34-L186 PolarHBondContact N-O 2.95Å; W34-L186 PolarHBondContact O-N 3.28Å; F47-L186 HydrophobicContact CB-CD2 3.56Å; F47-L186 HydrophobicContact CD1-CD2 3.64Å; F47-L186 HydrophobicContact CD2-CD2 3.32Å; F47-L186 HydrophobicContact CE1-CB 4.46Å; F47-L186 HydrophobicContact CE1-CD2 4.09Å; F47-L186 HydrophobicContact CE2-CD2 3.77Å; F47-L186 HydrophobicContact CG-CD2 3.21Å; F47-L186 HydrophobicContact CZ-CB 4.32Å; F47-L186 HydrophobicContact CZ-CD2 4.12Å; I57-L186 HydrophobicContact CG2-CD1 3.57Å; K58-L186 WeakPolarHBondContact O-CA 3.48Å; F59-L186 HydrophobicContact CB-CD1 3.84Å; F59-L186 HydrophobicContact CD2-CB 4.25Å; F59-L186 HydrophobicContact CD2-CD1 3.92Å; F59-L186 HydrophobicContact CG-CD1 4.35Å; F167-L186 HydrophobicContact CD1-CD1 3.77Å; F167-L186 HydrophobicContact CD1-CD2 3.8Å; F167-L186 HydrophobicContact CD1-CG 4.49Å; F167-L186 HydrophobicContact CE1-CD1 3.58Å; F167-L186 HydrophobicContact CE1-CD2 4.38Å; F167-L186 HydrophobicContact CZ-CD1 4.49Å; L186-M188 HydrophobicContact CD2-CE 3.69Å; L186-M188 HydrophobicContact CG-CE 4.49Å |
| 187 | S | 88.1 | Confident | 83.6 | Confident | 18 Ų | 18 | 33.6 Ų | 33.6 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 131.9 | 172.2 | 65.7 | 0 | 0 | 0 | 0 | 110.3 | G32 K58 | G32-S187 WeakPolarHBondContact O-CA 3.24Å; K58-S187 WeakPolarHBondContact CB-OG 3.46Å; K58-S187 PolarHBondContact N-O 2.79Å; K58-S187 PolarHBondContact O-N 3.07Å |
| 188 | M | 88.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 109.5 | 175.6 | -67.5 | 179 | -173.2 | 0 | 0 | 108.1 | G32 W34 F47 K49 M51 T55 I57 F167 L186 | G32-M188 PolarHBondContact O-N 2.9Å; W34-M188 HydrophobicContact CH2-CE 4.1Å; W34-M188 HydrophobicContact CH2-CG 4.26Å; W34-M188 HydrophobicContact CH2-SD 3.62Å; W34-M188 HydrophobicContact CZ3-CB 4.16Å; W34-M188 HydrophobicContact CZ3-CE 4.01Å; W34-M188 HydrophobicContact CZ3-CG 3.73Å; W34-M188 HydrophobicContact CZ3-SD 3.68Å; F47-M188 HydrophobicContact CB-CE 3.95Å; K49-M188 HydrophobicContact CB-SD 3.69Å; K49-M188 HydrophobicContact CD-CB 3.97Å; K49-M188 HydrophobicContact CD-SD 3.87Å; K49-M188 HydrophobicContact CG-SD 4.44Å; M51-M188 HydrophobicContact CE-CE 4.4Å; M51-M188 HydrophobicContact CE-SD 3.91Å; M51-M188 HydrophobicContact CG-SD 4.44Å; M51-M188 HydrophobicContact SD-CB 4.09Å; M51-M188 HydrophobicContact SD-CG 4Å; M51-M188 HydrophobicContact SD-SD 3.51Å; T55-M188 HydrophobicContact CG2-CB 4.44Å; I57-M188 HydrophobicContact CG1-CG 4.28Å; I57-M188 HydrophobicContact CG2-CG 4.29Å; F167-M188 HydrophobicContact CB-CE 3.74Å; F167-M188 HydrophobicContact CG-CE 4.45Å; L186-M188 HydrophobicContact CD2-CE 3.69Å; L186-M188 HydrophobicContact CG-CE 4.49Å |
| 189 | V | 88.9 | Confident | 85.3 | Confident | 31 Ų | 31 | 27.3 Ų | 27.3 | 19% | 0.188 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 110.3 | -175 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | T55 E56 Y194 | T55-V189 WeakPolarHBondContact CA-O 3.36Å; T55-V189 WeakPolarHBondContact CG2-O 3.23Å; E56-V189 PolarHBondContact N-O 2.86Å; E56-V189 PolarHBondContact O-N 2.84Å; V189-Y194 HydrophobicContact CG2-CD1 3.9Å; V189-Y194 HydrophobicContact CG2-CE1 3.36Å |
| 190 | G | 87.3 | Confident | 86 | Confident | 13 Ų | 13 | 27.2 Ų | 27.2 | 13% | 0.134 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -83.2 | 177.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H192 G193 | G190-H192 PolarHBondContact O-N 2.71Å; G190-G193 WeakPolarHBondContact CA-O 3.32Å; G190-G193 PolarHBondContact N-O 2.99Å; G190-G193 PolarHBondContact O-N 3.01Å |
| 191 | P | 86.6 | Confident | 86.5 | Confident | 84 Ų | 84 | 27.7 Ų | 27.7 | 55% | 0.545 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24 | 174.3 | 25.9 | -34 | 0 | 0 | 0 | 113 | F52 | F52-P191 HydrophobicContact CB-CG 3.98Å; F52-P191 HydrophobicContact CD2-CG 4.48Å; F52-P191 HydrophobicContact CG-CG 4.34Å |
| 192 | H | 85.6 | Confident | 86.9 | Confident | 88 Ų | 88 | 24.8 Ų | 24.8 | 41% | 0.407 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 6.8 | -178.4 | -64.3 | -55.7 | 0 | 0 | 0 | 114.3 | F52 G190 W200 N260 | F52-H192 HydrophobicContact CE2-CB 4.45Å; F52-H192 AromaticContact CE2-CD2 3.9Å; F52-H192 AromaticContact CZ-CD2 3.97Å; G190-H192 PolarHBondContact O-N 2.71Å; H192-W200 AromaticContact CD2-NE1 3.96Å; H192-W200 AromaticContact CG-NE1 3.52Å; H192-W200 AromaticContact ND1-NE1 3.97Å; H192-N260 PolarHBondContact O-ND2 3.31Å; H192-N260 PolarHBondContact O-OD1 3.33Å |
| 193 | G | 88.2 | Confident | 87.4 | Confident | 20 Ų | 20 | 25.5 Ų | 25.5 | 21% | 0.206 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | 110 | -152.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G190 N260 | G190-G193 WeakPolarHBondContact CA-O 3.32Å; G190-G193 PolarHBondContact N-O 2.99Å; G190-G193 PolarHBondContact O-N 3.01Å; G193-N260 VanDerWaalsContact CA-OD1 3.32Å; G193-N260 WeakPolarHBondContact CA-OD1 3.23Å |
| 194 | Y | 87.3 | Confident | 87.8 | Confident | 63 Ų | 63 | 26.3 Ų | 26.3 | 25% | 0.247 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -87.2 | -5.8 | -176.4 | -69.7 | -85.9 | 0 | 0 | 0 | 114.2 | K49 V189 I259 N260 G263 | K49-Y194 VanDerWaalsContact CE-O 3.23Å; K49-Y194 WeakPolarHBondContact CE-O 3.47Å; K49-Y194 PolarHBondContact NZ-O 2.74Å; V189-Y194 HydrophobicContact CG2-CD1 3.9Å; V189-Y194 HydrophobicContact CG2-CE1 3.36Å; Y194-I259 WeakPolarHBondContact CB-O 3.23Å; Y194-N260 WeakPolarHBondContact CD2-O 3.44Å; Y194-N260 PolarHBondContact N-O 3.01Å; Y194-N260 PolarHBondContact N-OD1 3.31Å; Y194-G263 VanDerWaalsContact CB-CA 3.43Å |
| 195 | I | 88.8 | Confident | 88.3 | Confident | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -68.5 | 147.3 | -178.2 | -164.7 | 164.7 | 0 | 0 | 0 | 111.8 | D199 W200 M203 Y256 N260 | I195-D199 HydrophobicContact CD1-CB 4.35Å; I195-D199 HydrophobicContact CG1-CB 4.09Å; I195-W200 HydrophobicContact CG2-CB 4.3Å; I195-W200 HydrophobicContact CG2-CG 4.46Å; I195-M203 HydrophobicContact CD1-CB 4.11Å; I195-M203 HydrophobicContact CD1-SD 4.01Å; I195-Y256 HydrophobicContact CD1-CD1 4.06Å; I195-N260 HydrophobicContact CB-CB 4.08Å; I195-N260 HydrophobicContact CG2-CB 4.44Å; I195-N260 VanDerWaalsContact CG2-OD1 3.23Å; I195-N260 WeakPolarHBondContact CG2-OD1 3.32Å; I195-N260 PolarHBondContact N-OD1 3.49Å |
| 196 | S | 87.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -69.8 | 151.7 | 174.3 | -171.8 | 0 | 0 | 0 | 0 | 111.7 | E30 T50 S198 D199 W200 | E30-S196 VanDerWaalsContact OE2-CB 3.31Å; E30-S196 WeakPolarHBondContact OE2-CB 3.18Å; E30-S196 PolarHBondContact OE2-OG 2.79Å; T50-S196 WeakPolarHBondContact CB-OG 3.41Å; T50-S196 PolarHBondContact O-OG 3.41Å; S196-S198 VanDerWaalsContact C-N 3.28Å; S196-S198 PolarHBondContact O-N 3.05Å; S196-S198 PolarHBondContact OG-OG 3.03Å; S196-D199 PolarHBondContact O-N 2.85Å; S196-W200 PolarHBondContact O-N 2.94Å; S196-W200 VanDerWaalsContact O-N 3.17Å | ||
| 197 | A | 87.4 | Confident | 89 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -29.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | T50 F52 W420 | T50-A197 HydrophobicContact CG2-CB 4.19Å; T50-A197 PolarHBondContact O-N 3.37Å; F52-A197 HydrophobicContact CD1-CB 3.81Å; F52-A197 HydrophobicContact CD2-CB 3.89Å; F52-A197 HydrophobicContact CE1-CB 3.68Å; F52-A197 HydrophobicContact CE2-CB 3.77Å; F52-A197 HydrophobicContact CG-CB 3.92Å; F52-A197 VanDerWaalsContact CZ-CA 3.48Å; F52-A197 HydrophobicContact CZ-CB 3.67Å; A197-W420 HydrophobicContact CB-CH2 3.96Å; A197-W420 HydrophobicContact CB-CZ3 3.68Å |
| 198 | S | 84.1 | Confident | 89.3 | Confident | 11 Ų | 11 | 34 Ų | 34 | 8% | 0.077 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -32.8 | 174.9 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | S196 | S196-S198 VanDerWaalsContact C-N 3.28Å; S196-S198 PolarHBondContact O-N 3.05Å; S196-S198 PolarHBondContact OG-OG 3.03Å |
| 199 | D | 87.2 | Confident | 89.6 | Confident | 26 Ų | 26 | 34.4 Ų | 34.4 | 14% | 0.139 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -15.9 | -169.2 | -60.6 | -6 | 0 | 0 | 0 | 112 | I195 S196 L202 M203 Y256 | I195-D199 HydrophobicContact CD1-CB 4.35Å; I195-D199 HydrophobicContact CG1-CB 4.09Å; S196-D199 PolarHBondContact O-N 2.85Å; D199-L202 WeakPolarHBondContact O-CB 3.23Å; D199-L202 PolarHBondContact O-N 2.78Å; D199-L202 VanDerWaalsContact O-N 3.16Å; D199-M203 PolarHBondContact O-N 3.16Å; D199-M203 VanDerWaalsContact O-N 3.14Å; D199-Y256 HydrophobicContact CB-CD1 4.31Å; D199-Y256 HydrophobicContact CB-CE1 3.9Å |
| 200 | W | 90.2 | Very high | 89.9 | Confident | 79 Ų | 79 | 33.9 Ų | 33.9 | 30% | 0.299 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.9 | -45.8 | -179.4 | -175.1 | 92.2 | 0 | 0 | 0 | 113.8 | F52 H192 I195 S196 L202 M203 I204 | F52-W200 HydrophobicContact CE2-CB 4.25Å; F52-W200 HydrophobicContact CE2-CG 4.42Å; F52-W200 HydrophobicContact CZ-CB 3.86Å; F52-W200 HydrophobicContact CZ-CD2 4.49Å; F52-W200 HydrophobicContact CZ-CG 4.03Å; H192-W200 AromaticContact CD2-NE1 3.96Å; H192-W200 AromaticContact CG-NE1 3.52Å; H192-W200 AromaticContact ND1-NE1 3.97Å; I195-W200 HydrophobicContact CG2-CB 4.3Å; I195-W200 HydrophobicContact CG2-CG 4.46Å; S196-W200 PolarHBondContact O-N 2.94Å; S196-W200 VanDerWaalsContact O-N 3.17Å; W200-L202 VanDerWaalsContact C-N 3.27Å; W200-L202 PolarHBondContact O-N 3.27Å; W200-M203 PolarHBondContact O-N 3.49Å; W200-I204 HydrophobicContact CD2-CD1 4.15Å; W200-I204 HydrophobicContact CE3-CD1 3.86Å; W200-I204 HydrophobicContact CH2-CD1 3.36Å; W200-I204 HydrophobicContact CZ2-CD1 3.67Å; W200-I204 HydrophobicContact CZ3-CD1 3.45Å; W200-I204 VanDerWaalsContact CZ3-CD1 3.45Å |
| 201 | P | 91.4 | Very high | 90.3 | Very high | 21 Ų | 21 | 37.5 Ų | 37.5 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.4 | -33.3 | 175.4 | -19.8 | 33.3 | 0 | 0 | 0 | 112.6 | M203 I204 F205 M421 W424 | P201-M203 PolarHBondContact O-N 3.39Å; P201-I204 PolarHBondContact O-N 3.39Å; P201-F205 PolarHBondContact O-N 3.17Å; P201-M421 HydrophobicContact CG-SD 4.32Å; P201-W424 HydrophobicContact CB-CD2 3.79Å; P201-W424 HydrophobicContact CB-CE3 4.45Å; P201-W424 HydrophobicContact CB-CG 3.96Å; P201-W424 HydrophobicContact CB-CZ2 4.13Å; P201-W424 HydrophobicContact CG-CG 4.42Å |
| 202 | L | 87.4 | Confident | 90.7 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.9 | -38.3 | -179.5 | -170.1 | 65.2 | 0 | 0 | 0 | 111.7 | D199 W200 I204 F205 Y206 Y256 W424 D427 | D199-L202 WeakPolarHBondContact O-CB 3.23Å; D199-L202 PolarHBondContact O-N 2.78Å; D199-L202 VanDerWaalsContact O-N 3.16Å; W200-L202 VanDerWaalsContact C-N 3.27Å; W200-L202 PolarHBondContact O-N 3.27Å; L202-I204 VanDerWaalsContact C-N 3.35Å; L202-I204 PolarHBondContact O-N 2.96Å; L202-F205 HydrophobicContact CD1-CD1 4.27Å; L202-F205 WeakPolarHBondContact O-CB 3.29Å; L202-F205 PolarHBondContact O-N 2.82Å; L202-Y206 HydrophobicContact CD1-CD2 4.46Å; L202-Y206 HydrophobicContact CD1-CE1 4.32Å; L202-Y206 HydrophobicContact CD1-CE2 3.82Å; L202-Y206 HydrophobicContact CD2-CE2 3.82Å; L202-Y206 HydrophobicContact CG-CD2 4.01Å; L202-Y206 HydrophobicContact CG-CE2 3.47Å; L202-Y206 VanDerWaalsContact CG-CE2 3.47Å; L202-Y206 WeakPolarHBondContact O-CD2 3.4Å; L202-Y206 PolarHBondContact O-N 3.4Å; L202-Y256 HydrophobicContact CD2-CE1 4.41Å; L202-Y256 HydrophobicContact CD2-CE2 4.18Å; L202-Y256 WeakPolarHBondContact CD2-OH 3.39Å; L202-W424 HydrophobicContact CB-CB 4.03Å; L202-W424 HydrophobicContact CD1-CB 4.26Å; L202-D427 HydrophobicContact CD1-CB 4.24Å |
| 203 | M | 90.4 | Very high | 91.2 | Very high | 17 Ų | 17 | 31.2 Ų | 31.2 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.4 | -46.7 | 173.1 | -176.8 | -178.4 | 69.5 | 0 | 0 | 111.6 | I195 D199 W200 P201 Y206 M207 Y253 Y256 N260 | I195-M203 HydrophobicContact CD1-CB 4.11Å; I195-M203 HydrophobicContact CD1-SD 4.01Å; D199-M203 PolarHBondContact O-N 3.16Å; D199-M203 VanDerWaalsContact O-N 3.14Å; W200-M203 PolarHBondContact O-N 3.49Å; P201-M203 PolarHBondContact O-N 3.39Å; M203-Y206 PolarHBondContact O-N 3.4Å; M203-M207 PolarHBondContact O-N 2.85Å; M203-M207 VanDerWaalsContact O-N 3.14Å; M203-Y253 HydrophobicContact CG-CD2 4.34Å; M203-Y253 HydrophobicContact CG-CE2 4.42Å; M203-Y256 HydrophobicContact CB-CG 4.38Å; M203-N260 HydrophobicContact SD-CB 4.44Å |
| 204 | I | 92.9 | Very high | 91.5 | Very high | 63 Ų | 63 | 34 Ų | 34 | 32% | 0.323 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.9 | -42.7 | 178.5 | -61.5 | 171.6 | 0 | 0 | 0 | 110.4 | W200 P201 L202 Y206 M207 V208 | W200-I204 HydrophobicContact CD2-CD1 4.15Å; W200-I204 HydrophobicContact CE3-CD1 3.86Å; W200-I204 HydrophobicContact CH2-CD1 3.36Å; W200-I204 HydrophobicContact CZ2-CD1 3.67Å; W200-I204 HydrophobicContact CZ3-CD1 3.45Å; W200-I204 VanDerWaalsContact CZ3-CD1 3.45Å; P201-I204 PolarHBondContact O-N 3.39Å; L202-I204 VanDerWaalsContact C-N 3.35Å; L202-I204 PolarHBondContact O-N 2.96Å; I204-Y206 PolarHBondContact O-N 3.2Å; I204-M207 WeakPolarHBondContact O-CB 3.12Å; I204-M207 PolarHBondContact O-N 3.03Å; I204-V208 HydrophobicContact CG2-CG2 4.45Å; I204-V208 WeakPolarHBondContact O-CG2 3.39Å; I204-V208 PolarHBondContact O-N 3.48Å |
| 205 | F | 93.5 | Very high | 91.9 | Very high | 31 Ų | 31 | 36.2 Ų | 36.2 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 176.5 | 172.4 | -99.9 | 0 | 0 | 0 | 111.9 | P201 L202 M207 V208 M209 W424 A428 | P201-F205 PolarHBondContact O-N 3.17Å; L202-F205 HydrophobicContact CD1-CD1 4.27Å; L202-F205 WeakPolarHBondContact O-CB 3.29Å; L202-F205 PolarHBondContact O-N 2.82Å; F205-M207 VanDerWaalsContact C-N 3.34Å; F205-M207 PolarHBondContact O-N 3.46Å; F205-V208 PolarHBondContact O-N 3.4Å; F205-M209 HydrophobicContact CD1-CG 4.29Å; F205-M209 HydrophobicContact CD2-CG 4.02Å; F205-M209 HydrophobicContact CE1-CG 3.88Å; F205-M209 HydrophobicContact CE2-CE 4.42Å; F205-M209 HydrophobicContact CE2-CG 3.59Å; F205-M209 HydrophobicContact CE2-SD 4.05Å; F205-M209 HydrophobicContact CG-CG 4.36Å; F205-M209 HydrophobicContact CZ-CE 3.99Å; F205-M209 HydrophobicContact CZ-CG 3.51Å; F205-M209 HydrophobicContact CZ-SD 4.14Å; F205-M209 WeakPolarHBondContact O-CB 3.36Å; F205-M209 VanDerWaalsContact O-CG 3.28Å; F205-M209 WeakPolarHBondContact O-CG 3.03Å; F205-M209 PolarHBondContact O-N 3.48Å; F205-W424 HydrophobicContact CB-CZ3 4.33Å; F205-W424 HydrophobicContact CD2-CZ3 4.44Å; F205-W424 HydrophobicContact CG-CZ3 4.5Å; F205-A428 HydrophobicContact CD1-CB 3.96Å; F205-A428 HydrophobicContact CD2-CB 3.96Å; F205-A428 HydrophobicContact CE1-CB 3.78Å; F205-A428 HydrophobicContact CE2-CB 3.77Å; F205-A428 HydrophobicContact CG-CB 4.05Å; F205-A428 HydrophobicContact CZ-CB 3.67Å; F205-A428 VanDerWaalsContact CZ-O 3.29Å; F205-A428 WeakPolarHBondContact CZ-O 3.33Å |
| 206 | Y | 93.1 | Very high | 92.2 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.4 | -35.5 | 178.1 | -70.5 | -37.8 | 0 | 0 | 0 | 113.2 | L202 M203 I204 C210 K249 F252 Y256 | L202-Y206 HydrophobicContact CD1-CD2 4.46Å; L202-Y206 HydrophobicContact CD1-CE1 4.32Å; L202-Y206 HydrophobicContact CD1-CE2 3.82Å; L202-Y206 HydrophobicContact CD2-CE2 3.82Å; L202-Y206 HydrophobicContact CG-CD2 4.01Å; L202-Y206 HydrophobicContact CG-CE2 3.47Å; L202-Y206 VanDerWaalsContact CG-CE2 3.47Å; L202-Y206 WeakPolarHBondContact O-CD2 3.4Å; L202-Y206 PolarHBondContact O-N 3.4Å; M203-Y206 PolarHBondContact O-N 3.4Å; I204-Y206 PolarHBondContact O-N 3.2Å; Y206-C210 VanDerWaalsContact O-CB 3.23Å; Y206-C210 WeakPolarHBondContact O-CB 3.35Å; Y206-C210 PolarHBondContact O-N 2.98Å; Y206-K249 HydrophobicContact CD1-CD 3.72Å; Y206-K249 HydrophobicContact CE1-CD 4.06Å; Y206-F252 HydrophobicContact CD2-CB 3.77Å; Y206-F252 HydrophobicContact CE2-CB 3.95Å; Y206-F252 HydrophobicContact CE2-CG 4.21Å; Y206-F252 HydrophobicContact CG-CB 4.16Å; Y206-Y256 AromaticContact CD2-CD2 3.91Å; Y206-Y256 HydrophobicContact CD2-CD2 3.91Å; Y206-Y256 AromaticContact CD2-CE2 3.86Å; Y206-Y256 HydrophobicContact CD2-CE2 3.86Å; Y206-Y256 HydrophobicContact CE2-CD2 4.13Å; Y206-Y256 AromaticContact CE2-CE2 3.58Å; Y206-Y256 HydrophobicContact CE2-CE2 3.58Å |
| 207 | M | 93.9 | Very high | 92.5 | Very high | 75 Ų | 75 | 38.1 Ų | 38.1 | 37% | 0.369 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.8 | -51.7 | 172 | -174.8 | -156.5 | 70.2 | 0 | 0 | 111.5 | M203 I204 F205 M209 C210 I211 Y253 | M203-M207 PolarHBondContact O-N 2.85Å; M203-M207 VanDerWaalsContact O-N 3.14Å; I204-M207 WeakPolarHBondContact O-CB 3.12Å; I204-M207 PolarHBondContact O-N 3.03Å; F205-M207 VanDerWaalsContact C-N 3.34Å; F205-M207 PolarHBondContact O-N 3.46Å; M207-M209 PolarHBondContact O-N 3.46Å; M207-C210 WeakPolarHBondContact O-CB 3.2Å; M207-C210 PolarHBondContact O-N 2.85Å; M207-I211 WeakPolarHBondContact O-CG1 3.43Å; M207-I211 PolarHBondContact O-N 3.1Å; M207-I211 VanDerWaalsContact O-N 3.16Å; M207-Y253 HydrophobicContact CB-CD2 3.84Å; M207-Y253 HydrophobicContact CB-CE2 3.91Å; M207-Y253 HydrophobicContact CG-CD2 4.43Å; M207-Y253 HydrophobicContact CG-CE2 4.12Å |
| 208 | V | 95.9 | Very high | 92.9 | Very high | 70 Ų | 70 | 41.8 Ų | 41.8 | 42% | 0.424 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.4 | -45.4 | -179.9 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | I204 F205 C210 I211 V212 | I204-V208 HydrophobicContact CG2-CG2 4.45Å; I204-V208 WeakPolarHBondContact O-CG2 3.39Å; I204-V208 PolarHBondContact O-N 3.48Å; F205-V208 PolarHBondContact O-N 3.4Å; V208-C210 VanDerWaalsContact C-N 3.34Å; V208-C210 PolarHBondContact O-N 2.91Å; V208-I211 WeakPolarHBondContact O-CB 3.16Å; V208-I211 PolarHBondContact O-N 3.48Å; V208-V212 WeakPolarHBondContact O-CG2 3.28Å; V208-V212 PolarHBondContact O-N 3.45Å |
| 209 | M | 93.3 | Very high | 93.3 | Very high | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.044 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -38.4 | 178.5 | -70 | -65.4 | -87.1 | 0 | 0 | 111.9 | F205 M207 I211 V212 Y213 K249 F432 | F205-M209 HydrophobicContact CD1-CG 4.29Å; F205-M209 HydrophobicContact CD2-CG 4.02Å; F205-M209 HydrophobicContact CE1-CG 3.88Å; F205-M209 HydrophobicContact CE2-CE 4.42Å; F205-M209 HydrophobicContact CE2-CG 3.59Å; F205-M209 HydrophobicContact CE2-SD 4.05Å; F205-M209 HydrophobicContact CG-CG 4.36Å; F205-M209 HydrophobicContact CZ-CE 3.99Å; F205-M209 HydrophobicContact CZ-CG 3.51Å; F205-M209 HydrophobicContact CZ-SD 4.14Å; F205-M209 WeakPolarHBondContact O-CB 3.36Å; F205-M209 VanDerWaalsContact O-CG 3.28Å; F205-M209 WeakPolarHBondContact O-CG 3.03Å; F205-M209 PolarHBondContact O-N 3.48Å; M207-M209 PolarHBondContact O-N 3.46Å; M209-I211 VanDerWaalsContact C-N 3.3Å; M209-I211 PolarHBondContact O-N 3.46Å; M209-V212 WeakPolarHBondContact O-CB 3.4Å; M209-V212 PolarHBondContact O-N 2.98Å; M209-V212 VanDerWaalsContact O-N 3.12Å; M209-Y213 VanDerWaalsContact O-CD2 3.25Å; M209-Y213 WeakPolarHBondContact O-CD2 3.29Å; M209-Y213 PolarHBondContact O-N 3Å; M209-K249 HydrophobicContact CB-CG 4.4Å; M209-F432 HydrophobicContact CE-CB 4.4Å; M209-F432 HydrophobicContact CE-CD2 4.4Å |
| 210 | C | 95.4 | Very high | 93.6 | Very high | 19 Ų | 19 | 43 Ų | 43 | 13% | 0.128 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.6 | -45.3 | 174 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | Y206 M207 V208 V212 Y213 I214 K249 | Y206-C210 VanDerWaalsContact O-CB 3.23Å; Y206-C210 WeakPolarHBondContact O-CB 3.35Å; Y206-C210 PolarHBondContact O-N 2.98Å; M207-C210 WeakPolarHBondContact O-CB 3.2Å; M207-C210 PolarHBondContact O-N 2.85Å; V208-C210 VanDerWaalsContact C-N 3.34Å; V208-C210 PolarHBondContact O-N 2.91Å; C210-V212 VanDerWaalsContact C-N 3.35Å; C210-V212 PolarHBondContact O-N 3.43Å; C210-Y213 PolarHBondContact O-N 3.46Å; C210-I214 WeakPolarHBondContact O-CG1 3.35Å; C210-I214 PolarHBondContact O-N 2.88Å; C210-K249 HydrophobicContact CB-CB 4.02Å |
| 211 | I | 95.9 | Very high | 93.6 | Very high | 89 Ų | 89 | 44.9 Ų | 44.9 | 46% | 0.456 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 174.9 | -62.8 | 166.4 | 0 | 0 | 0 | 111 | M207 V208 M209 Y213 I214 L215 | M207-I211 WeakPolarHBondContact O-CG1 3.43Å; M207-I211 PolarHBondContact O-N 3.1Å; M207-I211 VanDerWaalsContact O-N 3.16Å; V208-I211 WeakPolarHBondContact O-CB 3.16Å; V208-I211 PolarHBondContact O-N 3.48Å; M209-I211 VanDerWaalsContact C-N 3.3Å; M209-I211 PolarHBondContact O-N 3.46Å; I211-Y213 VanDerWaalsContact C-N 3.34Å; I211-Y213 PolarHBondContact O-N 3.34Å; I211-I214 WeakPolarHBondContact O-CB 3.45Å; I211-I214 PolarHBondContact O-N 3.07Å; I211-L215 WeakPolarHBondContact O-CG 3.28Å; I211-L215 PolarHBondContact O-N 3.15Å |
| 212 | V | 95.6 | Very high | 93.6 | Very high | 40 Ų | 40 | 49 Ų | 49 | 24% | 0.242 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.6 | -43 | 176.1 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | V208 M209 C210 L215 Y216 | V208-V212 WeakPolarHBondContact O-CG2 3.28Å; V208-V212 PolarHBondContact O-N 3.45Å; M209-V212 WeakPolarHBondContact O-CB 3.4Å; M209-V212 PolarHBondContact O-N 2.98Å; M209-V212 VanDerWaalsContact O-N 3.12Å; C210-V212 VanDerWaalsContact C-N 3.35Å; C210-V212 PolarHBondContact O-N 3.43Å; V212-L215 WeakPolarHBondContact O-CB 3.49Å; V212-L215 PolarHBondContact O-N 3.35Å; V212-Y216 HydrophobicContact CG1-CD1 4.38Å; V212-Y216 HydrophobicContact CG1-CD2 4.46Å; V212-Y216 HydrophobicContact CG1-CE1 3.79Å; V212-Y216 HydrophobicContact CG1-CE2 3.92Å; V212-Y216 WeakPolarHBondContact O-CD1 3.39Å; V212-Y216 PolarHBondContact O-N 2.68Å |
| 213 | Y | 95.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.1 | -34.9 | 176.2 | -85.5 | -82.6 | 0 | 0 | 0 | 113 | M209 C210 I211 L215 Y216 G217 K249 F434 L438 | M209-Y213 VanDerWaalsContact O-CD2 3.25Å; M209-Y213 WeakPolarHBondContact O-CD2 3.29Å; M209-Y213 PolarHBondContact O-N 3Å; C210-Y213 PolarHBondContact O-N 3.46Å; I211-Y213 VanDerWaalsContact C-N 3.34Å; I211-Y213 PolarHBondContact O-N 3.34Å; Y213-L215 VanDerWaalsContact C-N 3.34Å; Y213-Y216 HydrophobicContact CD1-CD2 4.37Å; Y213-Y216 PolarHBondContact O-N 3.47Å; Y213-G217 PolarHBondContact O-N 3.32Å; Y213-K249 HydrophobicContact CD2-CG 4.25Å; Y213-K249 HydrophobicContact CE2-CG 4.36Å; Y213-F434 WeakPolarHBondContact OH-CD1 3.49Å; Y213-L438 HydrophobicContact CE1-CD1 4.39Å |
| 214 | I | 95.7 | Very high | 93.5 | Very high | 77 Ų | 77 | 50.6 Ų | 50.6 | 40% | 0.395 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 171.8 | -69.6 | 166 | 0 | 0 | 0 | 109.8 | C210 I211 Y216 G217 V218 M246 | C210-I214 WeakPolarHBondContact O-CG1 3.35Å; C210-I214 PolarHBondContact O-N 2.88Å; I211-I214 WeakPolarHBondContact O-CB 3.45Å; I211-I214 PolarHBondContact O-N 3.07Å; I214-Y216 VanDerWaalsContact C-N 3.33Å; I214-Y216 PolarHBondContact O-N 3.29Å; I214-G217 PolarHBondContact O-N 2.72Å; I214-V218 HydrophobicContact CG2-CG2 4.44Å; I214-V218 WeakPolarHBondContact O-CG2 3.34Å; I214-V218 PolarHBondContact O-N 3.3Å; I214-M246 HydrophobicContact CG1-CG 4.04Å; I214-M246 HydrophobicContact CG1-SD 3.75Å |
| 215 | L | 95.8 | Very high | 93.2 | Very high | 111 Ų | 111 | 51 Ų | 51 | 58% | 0.581 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.9 | -41.5 | 176 | -67 | 174.1 | 0 | 0 | 0 | 111.8 | I211 V212 Y213 V218 L219 | I211-L215 WeakPolarHBondContact O-CG 3.28Å; I211-L215 PolarHBondContact O-N 3.15Å; V212-L215 WeakPolarHBondContact O-CB 3.49Å; V212-L215 PolarHBondContact O-N 3.35Å; Y213-L215 VanDerWaalsContact C-N 3.34Å; L215-V218 PolarHBondContact O-N 3.12Å; L215-L219 VanDerWaalsContact O-CB 3.26Å; L215-L219 WeakPolarHBondContact O-CB 3.17Å; L215-L219 PolarHBondContact O-N 3.45Å |
| 216 | Y | 94.8 | Very high | 92.9 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 11% | 0.114 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 174 | -68.7 | -6.2 | 0 | 0 | 0 | 112.1 | V212 Y213 I214 L219 W220 S435 L438 I439 M442 | V212-Y216 HydrophobicContact CG1-CD1 4.38Å; V212-Y216 HydrophobicContact CG1-CD2 4.46Å; V212-Y216 HydrophobicContact CG1-CE1 3.79Å; V212-Y216 HydrophobicContact CG1-CE2 3.92Å; V212-Y216 WeakPolarHBondContact O-CD1 3.39Å; V212-Y216 PolarHBondContact O-N 2.68Å; Y213-Y216 HydrophobicContact CD1-CD2 4.37Å; Y213-Y216 PolarHBondContact O-N 3.47Å; I214-Y216 VanDerWaalsContact C-N 3.33Å; I214-Y216 PolarHBondContact O-N 3.29Å; Y216-L219 PolarHBondContact O-N 3.44Å; Y216-W220 VanDerWaalsContact O-CB 3.23Å; Y216-W220 WeakPolarHBondContact O-CB 3.29Å; Y216-W220 PolarHBondContact O-N 3.1Å; Y216-S435 WeakPolarHBondContact CE2-OG 3.46Å; Y216-S435 PolarHBondContact OH-OG 2.83Å; Y216-L438 HydrophobicContact CD2-CD2 3.52Å; Y216-L438 HydrophobicContact CE2-CD2 3.89Å; Y216-L438 HydrophobicContact CG-CD2 4.42Å; Y216-I439 HydrophobicContact CE1-CB 4.17Å; Y216-I439 HydrophobicContact CE1-CD1 3.68Å; Y216-I439 HydrophobicContact CE1-CG1 3.92Å; Y216-I439 HydrophobicContact CE2-CB 4.25Å; Y216-M442 HydrophobicContact CD1-SD 4.42Å; Y216-M442 HydrophobicContact CD2-SD 4.18Å; Y216-M442 HydrophobicContact CG-CE 4.39Å; Y216-M442 HydrophobicContact CG-SD 3.91Å; Y216-M442 WeakPolarHBondContact O-CE 3.33Å |
| 217 | G | 94.3 | Very high | 92.4 | Very high | 15 Ų | 15 | 57 Ų | 57 | 16% | 0.155 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y213 I214 W220 L221 | Y213-G217 PolarHBondContact O-N 3.32Å; I214-G217 PolarHBondContact O-N 2.72Å; G217-W220 PolarHBondContact O-N 3.42Å; G217-L221 VanDerWaalsContact O-CB 3.32Å; G217-L221 WeakPolarHBondContact O-CB 3.27Å; G217-L221 WeakPolarHBondContact O-CG 3.21Å; G217-L221 PolarHBondContact O-N 3.24Å |
| 218 | V | 94.9 | Very high | 91.8 | Very high | 78 Ų | 78 | 62.9 Ų | 62.9 | 47% | 0.473 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 177.8 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | I214 L215 W220 L221 L222 | I214-V218 HydrophobicContact CG2-CG2 4.44Å; I214-V218 WeakPolarHBondContact O-CG2 3.34Å; I214-V218 PolarHBondContact O-N 3.3Å; L215-V218 PolarHBondContact O-N 3.12Å; V218-W220 VanDerWaalsContact C-N 3.32Å; V218-W220 PolarHBondContact O-N 2.89Å; V218-L221 PolarHBondContact O-N 3.31Å; V218-L222 HydrophobicContact CG1-CD1 3.97Å; V218-L222 HydrophobicContact CG1-CG 4.37Å; V218-L222 WeakPolarHBondContact O-CB 3.35Å; V218-L222 VanDerWaalsContact O-CG 3.26Å; V218-L222 WeakPolarHBondContact O-CG 3.11Å; V218-L222 PolarHBondContact O-N 3.14Å |
| 219 | L | 92.4 | Very high | 90.9 | Very high | 59 Ų | 59 | 68.9 Ų | 68.9 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 178.7 | -175 | 70 | 0 | 0 | 0 | 111.8 | L215 Y216 L222 W223 M442 | L215-L219 VanDerWaalsContact O-CB 3.26Å; L215-L219 WeakPolarHBondContact O-CB 3.17Å; L215-L219 PolarHBondContact O-N 3.45Å; Y216-L219 PolarHBondContact O-N 3.44Å; L219-L222 PolarHBondContact O-N 3.14Å; L219-W223 HydrophobicContact CD1-CH2 4.17Å; L219-W223 HydrophobicContact CD1-CZ2 3.8Å; L219-W223 HydrophobicContact CD2-CH2 3.49Å; L219-W223 VanDerWaalsContact CD2-CH2 3.49Å; L219-W223 HydrophobicContact CD2-CZ2 3.99Å; L219-W223 HydrophobicContact CD2-CZ3 3.83Å; L219-W223 HydrophobicContact CG-CD2 4.3Å; L219-W223 HydrophobicContact CG-CE3 4.16Å; L219-W223 HydrophobicContact CG-CH2 3.73Å; L219-W223 HydrophobicContact CG-CZ2 3.87Å; L219-W223 HydrophobicContact CG-CZ3 3.88Å; L219-W223 PolarHBondContact O-N 3.45Å; L219-W223 VanDerWaalsContact O-N 3.09Å; L219-M442 HydrophobicContact CD2-CE 4.22Å |
| 220 | W | 92.8 | Very high | 89.9 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.015 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 178.8 | -170.2 | -102.5 | 0 | 0 | 0 | 112.5 | Y216 G217 V218 W223 S224 Q235 I238 I242 M442 W445 | Y216-W220 VanDerWaalsContact O-CB 3.23Å; Y216-W220 WeakPolarHBondContact O-CB 3.29Å; Y216-W220 PolarHBondContact O-N 3.1Å; G217-W220 PolarHBondContact O-N 3.42Å; V218-W220 VanDerWaalsContact C-N 3.32Å; V218-W220 PolarHBondContact O-N 2.89Å; W220-W223 HydrophobicContact CE3-CE3 4.17Å; W220-W223 PolarHBondContact O-N 3.47Å; W220-S224 VanDerWaalsContact O-CB 3.26Å; W220-S224 WeakPolarHBondContact O-CB 3.33Å; W220-S224 PolarHBondContact O-N 2.95Å; W220-S224 PolarHBondContact O-OG 3.29Å; W220-Q235 HydrophobicContact CH2-CG 4.41Å; W220-Q235 HydrophobicContact CZ2-CB 3.92Å; W220-Q235 HydrophobicContact CZ2-CG 4.15Å; W220-I238 HydrophobicContact CH2-CB 4.39Å; W220-I238 HydrophobicContact CH2-CD1 4.29Å; W220-I238 HydrophobicContact CH2-CG2 3.94Å; W220-I238 HydrophobicContact CZ2-CB 3.97Å; W220-I238 HydrophobicContact CZ2-CG2 3.8Å; W220-I238 HydrophobicContact CZ3-CG2 4.41Å; W220-I242 HydrophobicContact CB-CD1 3.96Å; W220-I242 HydrophobicContact CD2-CD1 4.11Å; W220-I242 HydrophobicContact CG-CD1 3.83Å; W220-M442 HydrophobicContact CB-CE 4.08Å; W220-M442 HydrophobicContact CE3-CB 4.13Å; W220-M442 HydrophobicContact CE3-CE 4.14Å; W220-M442 HydrophobicContact CE3-CG 3.97Å; W220-M442 HydrophobicContact CZ3-CB 4.11Å; W220-M442 HydrophobicContact CZ3-CG 4.22Å; W220-W445 HydrophobicContact CH2-CB 4.42Å |
| 221 | L | 91.4 | Very high | 89 | Confident | 118 Ų | 118 | 71.2 Ų | 71.2 | 62% | 0.618 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.8 | -41.8 | 176.4 | -74.2 | 173.2 | 0 | 0 | 0 | 111.3 | G217 V218 S224 A225 | G217-L221 VanDerWaalsContact O-CB 3.32Å; G217-L221 WeakPolarHBondContact O-CB 3.27Å; G217-L221 WeakPolarHBondContact O-CG 3.21Å; G217-L221 PolarHBondContact O-N 3.24Å; V218-L221 PolarHBondContact O-N 3.31Å; L221-S224 PolarHBondContact O-N 2.99Å; L221-A225 VanDerWaalsContact O-CB 3.24Å; L221-A225 WeakPolarHBondContact O-CB 3.4Å; L221-A225 PolarHBondContact O-N 3.46Å |
| 222 | L | 91 | Very high | 88.1 | Confident | 107 Ų | 107 | 68.9 Ų | 68.9 | 56% | 0.56 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.2 | -49.7 | 175.4 | -72.7 | 172.1 | 0 | 0 | 0 | 111.4 | V218 L219 S224 A225 C226 | V218-L222 HydrophobicContact CG1-CD1 3.97Å; V218-L222 HydrophobicContact CG1-CG 4.37Å; V218-L222 WeakPolarHBondContact O-CB 3.35Å; V218-L222 VanDerWaalsContact O-CG 3.26Å; V218-L222 WeakPolarHBondContact O-CG 3.11Å; V218-L222 PolarHBondContact O-N 3.14Å; L219-L222 PolarHBondContact O-N 3.14Å; L222-S224 VanDerWaalsContact C-N 3.34Å; L222-S224 PolarHBondContact O-N 3.37Å; L222-A225 PolarHBondContact O-N 2.89Å; L222-C226 PolarHBondContact O-N 2.89Å; L222-C226 PolarHBondContact O-SG 3.3Å |
| 223 | W | 88.6 | Confident | 87.3 | Confident | 39 Ų | 39 | 76.1 Ų | 76.1 | 15% | 0.148 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 175.7 | -71.6 | -25.8 | 0 | 0 | 0 | 112.6 | L219 W220 C226 Y227 M442 F443 R446 P447 | L219-W223 HydrophobicContact CD1-CH2 4.17Å; L219-W223 HydrophobicContact CD1-CZ2 3.8Å; L219-W223 HydrophobicContact CD2-CH2 3.49Å; L219-W223 VanDerWaalsContact CD2-CH2 3.49Å; L219-W223 HydrophobicContact CD2-CZ2 3.99Å; L219-W223 HydrophobicContact CD2-CZ3 3.83Å; L219-W223 HydrophobicContact CG-CD2 4.3Å; L219-W223 HydrophobicContact CG-CE3 4.16Å; L219-W223 HydrophobicContact CG-CH2 3.73Å; L219-W223 HydrophobicContact CG-CZ2 3.87Å; L219-W223 HydrophobicContact CG-CZ3 3.88Å; L219-W223 PolarHBondContact O-N 3.45Å; L219-W223 VanDerWaalsContact O-N 3.09Å; W220-W223 HydrophobicContact CE3-CE3 4.17Å; W220-W223 PolarHBondContact O-N 3.47Å; W223-C226 PolarHBondContact O-N 2.73Å; W223-Y227 WeakPolarHBondContact O-CD2 3.22Å; W223-Y227 PolarHBondContact O-N 3.33Å; W223-M442 HydrophobicContact CZ3-CE 4.42Å; W223-F443 AromaticContact CH2-CD1 3.94Å; W223-F443 HydrophobicContact CH2-CD1 3.94Å; W223-F443 AromaticContact CH2-CE1 3.77Å; W223-F443 HydrophobicContact CH2-CE1 3.77Å; W223-F443 HydrophobicContact CZ2-CE1 4.33Å; W223-R446 HydrophobicContact CD2-CG 3.83Å; W223-R446 HydrophobicContact CE3-CB 4.47Å; W223-R446 HydrophobicContact CE3-CG 3.95Å; W223-R446 HydrophobicContact CG-CG 4.1Å; W223-R446 HydrophobicContact CZ3-CG 4.46Å; W223-P447 HydrophobicContact CB-CG 4.41Å |
| 224 | S | 86.6 | Confident | 86.5 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 11% | 0.112 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 179.4 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | W220 L221 L222 Y227 W228 | W220-S224 VanDerWaalsContact O-CB 3.26Å; W220-S224 WeakPolarHBondContact O-CB 3.33Å; W220-S224 PolarHBondContact O-N 2.95Å; W220-S224 PolarHBondContact O-OG 3.29Å; L221-S224 PolarHBondContact O-N 2.99Å; L222-S224 VanDerWaalsContact C-N 3.34Å; L222-S224 PolarHBondContact O-N 3.37Å; S224-Y227 CarbonylContact O-C 3.51Å; S224-Y227 PolarHBondContact O-N 2.87Å; S224-W228 VanDerWaalsContact O-CA 3.23Å; S224-W228 WeakPolarHBondContact O-CA 3.42Å; S224-W228 PolarHBondContact O-N 2.84Å |
| 225 | A | 87.6 | Confident | 86.1 | Confident | 71 Ų | 71 | 73 Ų | 73 | 59% | 0.587 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -67.1 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L221 L222 Y227 W228 | L221-A225 VanDerWaalsContact O-CB 3.24Å; L221-A225 WeakPolarHBondContact O-CB 3.4Å; L221-A225 PolarHBondContact O-N 3.46Å; L222-A225 PolarHBondContact O-N 2.89Å; A225-Y227 PolarHBondContact O-N 3.37Å; A225-W228 PolarHBondContact O-N 2.92Å |
| 226 | C | 87.3 | Confident | 85.7 | Confident | 100 Ų | 100 | 73.3 Ų | 73.3 | 68% | 0.676 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.9 | -30.9 | 176.4 | -68.7 | 0 | 0 | 0 | 0 | 113.1 | L222 W223 | L222-C226 PolarHBondContact O-N 2.89Å; L222-C226 PolarHBondContact O-SG 3.3Å; W223-C226 PolarHBondContact O-N 2.73Å |
| 227 | Y | 81.9 | Confident | 85.3 | Confident | 70 Ų | 70 | 77.9 Ų | 77.9 | 28% | 0.275 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 32.8 | -177.1 | -60.2 | -79.1 | 0 | 0 | 0 | 112.4 | W223 S224 A225 K229 D230 P447 A449 | W223-Y227 WeakPolarHBondContact O-CD2 3.22Å; W223-Y227 PolarHBondContact O-N 3.33Å; S224-Y227 CarbonylContact O-C 3.51Å; S224-Y227 PolarHBondContact O-N 2.87Å; A225-Y227 PolarHBondContact O-N 3.37Å; Y227-K229 PolarHBondContact O-N 3.31Å; Y227-D230 PolarHBondContact O-N 3.03Å; Y227-P447 HydrophobicContact CD2-CB 4.01Å; Y227-P447 WeakPolarHBondContact CD2-O 3.46Å; Y227-P447 WeakPolarHBondContact CE2-O 3.32Å; Y227-P447 HydrophobicContact CG-CB 4.22Å; Y227-A449 HydrophobicContact CD1-CB 4.07Å; Y227-A449 HydrophobicContact CE1-CB 3.84Å |
| 228 | W | 80.7 | Confident | 85.1 | Confident | 198 Ų | 198 | 77.5 Ų | 77.5 | 75% | 0.75 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -58.8 | -26.5 | -170.1 | -163.2 | 49.9 | 0 | 0 | 0 | 114.1 | S224 A225 D230 I231 | S224-W228 VanDerWaalsContact O-CA 3.23Å; S224-W228 WeakPolarHBondContact O-CA 3.42Å; S224-W228 PolarHBondContact O-N 2.84Å; A225-W228 PolarHBondContact O-N 2.92Å; W228-D230 VanDerWaalsContact C-N 3.35Å; W228-I231 HydrophobicContact CG-CD1 4.47Å |
| 229 | K | 77 | Confident | 84.9 | Confident | 197 Ų | 197 | 75.3 Ų | 75.3 | 86% | 0.857 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -72.8 | -22.5 | 178.1 | -66.8 | -175.9 | 177.4 | 174.1 | 0 | 114.1 | Y227 | Y227-K229 PolarHBondContact O-N 3.31Š|
| 230 | D | 72.9 | Confident | 84.9 | Confident | 51 Ų | 51 | 74.1 Ų | 74.1 | 27% | 0.273 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -114.8 | 17.3 | -169.9 | -63.1 | -47.7 | 0 | 0 | 0 | 113.7 | Y227 W228 L232 Q452 | Y227-D230 PolarHBondContact O-N 3.03Å; W228-D230 VanDerWaalsContact C-N 3.35Å; D230-L232 PolarHBondContact O-N 2.85Å; D230-Q452 HydrophobicContact CB-CG 4.01Å |
| 231 | I | 76.9 | Confident | 84.9 | Confident | 26 Ų | 26 | 74.2 Ų | 74.2 | 13% | 0.133 | 36% | 0.361 | C | S | . | . | trans | -71.3 | 128 | -173.6 | -60.9 | -176.3 | 0 | 0 | 0 | 111.9 | W228 Q235 F236 | W228-I231 HydrophobicContact CG-CD1 4.47Å; I231-Q235 HydrophobicContact CG2-CB 3.93Å; I231-F236 HydrophobicContact CB-CE2 4.17Å; I231-F236 HydrophobicContact CB-CZ 4.26Å; I231-F236 HydrophobicContact CD1-CZ 4.39Å; I231-F236 HydrophobicContact CG2-CD2 3.85Å; I231-F236 HydrophobicContact CG2-CE1 4.3Å; I231-F236 HydrophobicContact CG2-CE2 3.41Å; I231-F236 VanDerWaalsContact CG2-CE2 3.41Å; I231-F236 HydrophobicContact CG2-CG 4.46Å; I231-F236 HydrophobicContact CG2-CZ 3.67Å | ||
| 232 | L | 75.9 | Confident | 85.1 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 21% | 0.209 | 33% | 0.333 | C | S | . | . | trans | -82.8 | 149.4 | 172.9 | -74.2 | 87.6 | 0 | 0 | 0 | 111.1 | D230 I234 Q235 N451 | D230-L232 PolarHBondContact O-N 2.85Å; L232-I234 PolarHBondContact O-N 2.84Å; L232-Q235 WeakPolarHBondContact O-CB 3.15Å; L232-Q235 PolarHBondContact O-N 3.32Å; L232-N451 HydrophobicContact CD1-CB 4.02Å | ||
| 233 | R | 79 | Confident | 85.3 | Confident | 191 Ų | 191 | 69.3 Ų | 69.3 | 72% | 0.721 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -51.5 | -36.2 | 177.1 | -65 | -174.8 | -175.6 | -143.5 | -0.3 | 113.3 | Q235 F236 | R233-Q235 VanDerWaalsContact C-N 3.3Å; R233-Q235 PolarHBondContact O-N 3.22Å; R233-F236 PolarHBondContact O-N 3.23Å |
| 234 | I | 79.9 | Confident | 85.5 | Confident | 6 Ų | 6 | 68.7 Ų | 68.7 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.9 | -34.4 | 178.7 | -63.4 | 168.6 | 0 | 0 | 0 | 111.9 | L232 F236 W237 I238 L287 Y295 W445 | L232-I234 PolarHBondContact O-N 2.84Å; I234-F236 VanDerWaalsContact C-N 3.32Å; I234-F236 PolarHBondContact O-N 3.48Å; I234-W237 WeakPolarHBondContact O-CB 3.35Å; I234-W237 PolarHBondContact O-N 3.44Å; I234-W237 VanDerWaalsContact O-N 3.17Å; I234-I238 HydrophobicContact CG2-CD1 4.21Å; I234-I238 WeakPolarHBondContact O-CG1 3.29Å; I234-I238 PolarHBondContact O-N 3.32Å; I234-L287 HydrophobicContact CG2-CD2 4.44Å; I234-Y295 HydrophobicContact CD1-CD1 3.85Å; I234-Y295 HydrophobicContact CD1-CE1 4.45Å; I234-Y295 WeakPolarHBondContact CD1-O 3.4Å; I234-Y295 HydrophobicContact CG1-CD1 4.03Å; I234-Y295 HydrophobicContact CG1-CE1 4.25Å; I234-W445 HydrophobicContact CB-CZ3 4.33Å; I234-W445 HydrophobicContact CD1-CH2 4.22Å; I234-W445 HydrophobicContact CD1-CZ3 3.91Å; I234-W445 HydrophobicContact CG2-CE3 3.97Å; I234-W445 HydrophobicContact CG2-CH2 4.43Å; I234-W445 HydrophobicContact CG2-CZ3 3.82Å |
| 235 | Q | 86.1 | Confident | 85.9 | Confident | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.028 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.3 | -31.4 | -179 | -69.9 | 173.1 | -18.4 | 0 | 0 | 112.4 | W220 I231 L232 R233 I238 A239 W445 | W220-Q235 HydrophobicContact CH2-CG 4.41Å; W220-Q235 HydrophobicContact CZ2-CB 3.92Å; W220-Q235 HydrophobicContact CZ2-CG 4.15Å; I231-Q235 HydrophobicContact CG2-CB 3.93Å; L232-Q235 WeakPolarHBondContact O-CB 3.15Å; L232-Q235 PolarHBondContact O-N 3.32Å; R233-Q235 VanDerWaalsContact C-N 3.3Å; R233-Q235 PolarHBondContact O-N 3.22Å; Q235-I238 PolarHBondContact O-N 3Å; Q235-A239 PolarHBondContact O-N 3.49Å; Q235-W445 PolarHBondContact NE2-O 3.27Å |
| 236 | F | 86.6 | Confident | 86.2 | Confident | 118 Ų | 118 | 67.1 Ų | 67.1 | 52% | 0.518 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 171.7 | -70.8 | -70 | 0 | 0 | 0 | 112.1 | I231 R233 I234 A239 A240 | I231-F236 HydrophobicContact CB-CE2 4.17Å; I231-F236 HydrophobicContact CB-CZ 4.26Å; I231-F236 HydrophobicContact CD1-CZ 4.39Å; I231-F236 HydrophobicContact CG2-CD2 3.85Å; I231-F236 HydrophobicContact CG2-CE1 4.3Å; I231-F236 HydrophobicContact CG2-CE2 3.41Å; I231-F236 VanDerWaalsContact CG2-CE2 3.41Å; I231-F236 HydrophobicContact CG2-CG 4.46Å; I231-F236 HydrophobicContact CG2-CZ 3.67Å; R233-F236 PolarHBondContact O-N 3.23Å; I234-F236 VanDerWaalsContact C-N 3.32Å; I234-F236 PolarHBondContact O-N 3.48Å; F236-A239 WeakPolarHBondContact O-CB 3.44Å; F236-A239 PolarHBondContact O-N 3.47Å; F236-A240 WeakPolarHBondContact O-CB 3.18Å; F236-A240 PolarHBondContact O-N 3Å |
| 237 | W | 87.4 | Confident | 86.6 | Confident | 125 Ų | 125 | 65 Ų | 65 | 47% | 0.473 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 175.5 | -69.5 | 104 | 0 | 0 | 0 | 112 | I234 A240 V241 L283 L287 | I234-W237 WeakPolarHBondContact O-CB 3.35Å; I234-W237 PolarHBondContact O-N 3.44Å; I234-W237 VanDerWaalsContact O-N 3.17Å; W237-A240 PolarHBondContact O-N 3.45Å; W237-V241 WeakPolarHBondContact O-CG2 3.48Å; W237-V241 PolarHBondContact O-N 3.31Å; W237-L283 HydrophobicContact CE3-CD2 3.88Å; W237-L283 HydrophobicContact CZ3-CD2 3.53Å; W237-L287 HydrophobicContact CB-CD1 4.43Å; W237-L287 HydrophobicContact CB-CD2 3.46Å; W237-L287 VanDerWaalsContact CB-CD2 3.46Å; W237-L287 HydrophobicContact CB-CG 4.25Å; W237-L287 HydrophobicContact CG-CD2 4.33Å |
| 238 | I | 89.1 | Confident | 87.2 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -46.1 | 172.4 | -64.5 | 169 | 0 | 0 | 0 | 110.2 | W220 I234 Q235 A240 V241 I242 L287 I441 W445 | W220-I238 HydrophobicContact CH2-CB 4.39Å; W220-I238 HydrophobicContact CH2-CD1 4.29Å; W220-I238 HydrophobicContact CH2-CG2 3.94Å; W220-I238 HydrophobicContact CZ2-CB 3.97Å; W220-I238 HydrophobicContact CZ2-CG2 3.8Å; W220-I238 HydrophobicContact CZ3-CG2 4.41Å; I234-I238 HydrophobicContact CG2-CD1 4.21Å; I234-I238 WeakPolarHBondContact O-CG1 3.29Å; I234-I238 PolarHBondContact O-N 3.32Å; Q235-I238 PolarHBondContact O-N 3Å; I238-A240 VanDerWaalsContact C-N 3.29Å; I238-A240 PolarHBondContact O-N 3.28Å; I238-V241 PolarHBondContact O-N 2.99Å; I238-I242 HydrophobicContact CG2-CD1 4.17Å; I238-I242 WeakPolarHBondContact O-CG1 3.22Å; I238-I242 PolarHBondContact O-N 3.02Å; I238-L287 HydrophobicContact CG1-CD1 4.17Å; I238-I441 HydrophobicContact CD1-CG2 4.09Å; I238-I441 HydrophobicContact CG1-CG2 4.49Å; I238-W445 HydrophobicContact CD1-CB 3.68Å; I238-W445 HydrophobicContact CD1-CD2 4.31Å; I238-W445 HydrophobicContact CD1-CG 3.89Å |
| 239 | A | 91.6 | Very high | 87.8 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 26% | 0.256 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.7 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q235 F236 V241 I242 F243 | Q235-A239 PolarHBondContact O-N 3.49Å; F236-A239 WeakPolarHBondContact O-CB 3.44Å; F236-A239 PolarHBondContact O-N 3.47Å; A239-V241 VanDerWaalsContact C-N 3.35Å; A239-V241 PolarHBondContact O-N 3.29Å; A239-I242 PolarHBondContact O-N 3.41Å; A239-F243 PolarHBondContact O-N 3.28Å |
| 240 | A | 92.1 | Very high | 88.6 | Confident | 35 Ų | 35 | 45.2 Ų | 45.2 | 29% | 0.289 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F236 W237 I238 F243 L244 | F236-A240 WeakPolarHBondContact O-CB 3.18Å; F236-A240 PolarHBondContact O-N 3Å; W237-A240 PolarHBondContact O-N 3.45Å; I238-A240 VanDerWaalsContact C-N 3.29Å; I238-A240 PolarHBondContact O-N 3.28Å; A240-F243 PolarHBondContact O-N 2.89Å; A240-L244 WeakPolarHBondContact O-CB 3.49Å; A240-L244 WeakPolarHBondContact O-CG 3.48Å; A240-L244 PolarHBondContact O-N 2.78Å |
| 241 | V | 93.6 | Very high | 89.7 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.1 | -38 | 175.8 | 173 | 0 | 0 | 0 | 0 | 111.8 | W237 I238 A239 G245 K280 L283 L287 F434 L438 | W237-V241 WeakPolarHBondContact O-CG2 3.48Å; W237-V241 PolarHBondContact O-N 3.31Å; I238-V241 PolarHBondContact O-N 2.99Å; A239-V241 VanDerWaalsContact C-N 3.35Å; A239-V241 PolarHBondContact O-N 3.29Å; V241-G245 PolarHBondContact O-N 2.75Å; V241-K280 HydrophobicContact CG1-CG 4.31Å; V241-L283 HydrophobicContact CG2-CB 3.72Å; V241-L287 HydrophobicContact CB-CD1 4.42Å; V241-L287 HydrophobicContact CG2-CD1 3.65Å; V241-F434 HydrophobicContact CG1-CE1 4.43Å; V241-F434 HydrophobicContact CG1-CZ 3.94Å; V241-L438 HydrophobicContact CG1-CD1 3.89Å |
| 242 | I | 94.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63 | -47.6 | 174.5 | -65 | 167.9 | 0 | 0 | 0 | 110.5 | W220 I238 A239 G245 M246 L438 M442 | W220-I242 HydrophobicContact CB-CD1 3.96Å; W220-I242 HydrophobicContact CD2-CD1 4.11Å; W220-I242 HydrophobicContact CG-CD1 3.83Å; I238-I242 HydrophobicContact CG2-CD1 4.17Å; I238-I242 WeakPolarHBondContact O-CG1 3.22Å; I238-I242 PolarHBondContact O-N 3.02Å; A239-I242 PolarHBondContact O-N 3.41Å; I242-G245 PolarHBondContact O-N 3.49Å; I242-M246 PolarHBondContact O-N 3.48Å; I242-L438 HydrophobicContact CD1-CD2 4.49Å; I242-L438 HydrophobicContact CG1-CD1 4.13Å; I242-L438 HydrophobicContact CG1-CD2 3.93Å; I242-L438 HydrophobicContact CG1-CG 4.43Å; I242-M442 HydrophobicContact CD1-CE 4.23Å; I242-M442 HydrophobicContact CD1-CG 3.99Å; I242-M442 HydrophobicContact CD1-SD 3.77Å; I242-M442 HydrophobicContact CG1-SD 4.47Å |
| 243 | F | 95 | Very high | 91.2 | Very high | 116 Ų | 116 | 44.8 Ų | 44.8 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 178.8 | 176.6 | -99.6 | 0 | 0 | 0 | 112.2 | A239 A240 G245 M246 L247 | A239-F243 PolarHBondContact O-N 3.28Å; A240-F243 PolarHBondContact O-N 2.89Å; F243-G245 VanDerWaalsContact C-N 3.31Å; F243-G245 PolarHBondContact O-N 2.8Å; F243-M246 HydrophobicContact CD2-CE 3.64Å; F243-M246 HydrophobicContact CE2-CE 3.77Å; F243-M246 WeakPolarHBondContact O-CB 3.42Å; F243-M246 PolarHBondContact O-N 3.4Å; F243-L247 PolarHBondContact O-N 2.63Å |
| 244 | L | 94.3 | Very high | 91.8 | Very high | 26 Ų | 26 | 38.5 Ų | 38.5 | 14% | 0.136 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -36 | 175.7 | -76 | 162.7 | 0 | 0 | 0 | 112.2 | A240 L247 E248 I276 V279 K280 L283 | A240-L244 WeakPolarHBondContact O-CB 3.49Å; A240-L244 WeakPolarHBondContact O-CG 3.48Å; A240-L244 PolarHBondContact O-N 2.78Å; L244-L247 PolarHBondContact O-N 3.35Å; L244-E248 VanDerWaalsContact O-CB 3.3Å; L244-E248 WeakPolarHBondContact O-CB 3.45Å; L244-E248 PolarHBondContact O-N 3.43Å; L244-I276 HydrophobicContact CD2-CG2 4.04Å; L244-V279 HydrophobicContact CD1-CG1 3.82Å; L244-V279 HydrophobicContact CD2-CG1 4.32Å; L244-K280 HydrophobicContact CB-CB 4.07Å; L244-K280 HydrophobicContact CB-CG 4.2Å; L244-L283 HydrophobicContact CD1-CD1 3.39Å |
| 245 | G | 93.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V241 I242 F243 K249 | V241-G245 PolarHBondContact O-N 2.75Å; I242-G245 PolarHBondContact O-N 3.49Å; F243-G245 VanDerWaalsContact C-N 3.31Å; F243-G245 PolarHBondContact O-N 2.8Å; G245-K249 WeakPolarHBondContact O-CG 3.23Å; G245-K249 PolarHBondContact O-N 3.33Å |
| 246 | M | 94.7 | Very high | 92.6 | Very high | 54 Ų | 54 | 39.1 Ų | 39.1 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.2 | -47.7 | 173.3 | -178.3 | -176.7 | 68.9 | 0 | 0 | 111.3 | I214 I242 F243 K249 A250 | I214-M246 HydrophobicContact CG1-CG 4.04Å; I214-M246 HydrophobicContact CG1-SD 3.75Å; I242-M246 PolarHBondContact O-N 3.48Å; F243-M246 HydrophobicContact CD2-CE 3.64Å; F243-M246 HydrophobicContact CE2-CE 3.77Å; F243-M246 WeakPolarHBondContact O-CB 3.42Å; F243-M246 PolarHBondContact O-N 3.4Å; M246-K249 PolarHBondContact O-N 2.93Å; M246-A250 WeakPolarHBondContact O-CB 3.3Å; M246-A250 PolarHBondContact O-N 2.88Å |
| 247 | L | 95.3 | Very high | 92.8 | Very high | 56 Ų | 56 | 37.2 Ų | 37.2 | 29% | 0.293 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.6 | -44.9 | -179.7 | -173.1 | 67 | 0 | 0 | 0 | 111.7 | F243 L244 K249 A250 V251 I276 | F243-L247 PolarHBondContact O-N 2.63Å; L244-L247 PolarHBondContact O-N 3.35Å; L247-K249 PolarHBondContact O-N 3.17Å; L247-A250 PolarHBondContact O-N 2.93Å; L247-V251 HydrophobicContact CD1-CG2 4.43Å; L247-V251 HydrophobicContact CG-CG2 4.38Å; L247-V251 WeakPolarHBondContact O-CG2 3.46Å; L247-V251 PolarHBondContact O-N 2.82Å; L247-I276 HydrophobicContact CD2-CD1 3.62Å; L247-I276 HydrophobicContact CD2-CG1 4.11Å; L247-I276 HydrophobicContact CD2-CG2 4.43Å; L247-I276 HydrophobicContact CG-CD1 3.73Å |
| 248 | E | 94.1 | Very high | 93 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.7 | -53.5 | 175.8 | -178.7 | -169.9 | 133 | 0 | 0 | 111.3 | L244 A250 V251 F252 I276 S277 K280 | L244-E248 VanDerWaalsContact O-CB 3.3Å; L244-E248 WeakPolarHBondContact O-CB 3.45Å; L244-E248 PolarHBondContact O-N 3.43Å; E248-A250 VanDerWaalsContact C-N 3.33Å; E248-A250 PolarHBondContact O-N 3.38Å; E248-V251 PolarHBondContact O-N 2.9Å; E248-F252 HydrophobicContact CG-CD2 3.78Å; E248-F252 HydrophobicContact CG-CE2 3.59Å; E248-F252 VanDerWaalsContact O-CD2 3.26Å; E248-F252 WeakPolarHBondContact O-CD2 3.25Å; E248-F252 PolarHBondContact O-N 2.85Å; E248-I276 HydrophobicContact CB-CG2 3.91Å; E248-S277 VanDerWaalsContact CD-OG 3.23Å; E248-S277 VanDerWaalsContact CG-OG 3.29Å; E248-S277 WeakPolarHBondContact CG-OG 3.09Å; E248-K280 IonicContact OE1-NZ 2.65Å; E248-K280 PolarHBondContact OE1-NZ 3.47Å; E248-K280 WeakPolarHBondContact OE2-CD 3.26Å; E248-K280 WeakPolarHBondContact OE2-CE 3.48Å; E248-K280 IonicContact OE2-NZ 2.63Å; E248-K280 PolarHBondContact OE2-NZ 2.82Å |
| 249 | K | 93.4 | Very high | 93 | Very high | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.6 | -32.5 | -176.8 | -62.5 | -40.1 | -172.4 | -165.1 | 0 | 112.5 | Y206 M209 C210 Y213 G245 M246 L247 Y253 S431 | Y206-K249 HydrophobicContact CD1-CD 3.72Å; Y206-K249 HydrophobicContact CE1-CD 4.06Å; M209-K249 HydrophobicContact CB-CG 4.4Å; C210-K249 HydrophobicContact CB-CB 4.02Å; Y213-K249 HydrophobicContact CD2-CG 4.25Å; Y213-K249 HydrophobicContact CE2-CG 4.36Å; G245-K249 WeakPolarHBondContact O-CG 3.23Å; G245-K249 PolarHBondContact O-N 3.33Å; M246-K249 PolarHBondContact O-N 2.93Å; L247-K249 PolarHBondContact O-N 3.17Å; K249-Y253 VanDerWaalsContact O-CB 3.32Å; K249-Y253 WeakPolarHBondContact O-CB 3.32Å; K249-Y253 PolarHBondContact O-N 3.37Å; K249-S431 PolarHBondContact NZ-OG 3.24Å |
| 250 | A | 95.3 | Very high | 93 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 32% | 0.322 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65 | -42.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M246 L247 E248 Y253 S254 | M246-A250 WeakPolarHBondContact O-CB 3.3Å; M246-A250 PolarHBondContact O-N 2.88Å; L247-A250 PolarHBondContact O-N 2.93Å; E248-A250 VanDerWaalsContact C-N 3.33Å; E248-A250 PolarHBondContact O-N 3.38Å; A250-Y253 PolarHBondContact O-N 2.91Å; A250-S254 WeakPolarHBondContact O-CB 3.45Å; A250-S254 PolarHBondContact O-N 3.44Å |
| 251 | V | 94.4 | Very high | 92.9 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 7% | 0.073 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.1 | -45.7 | 179.5 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | L247 E248 Y253 S254 E255 L269 F272 A273 I276 | L247-V251 HydrophobicContact CD1-CG2 4.43Å; L247-V251 HydrophobicContact CG-CG2 4.38Å; L247-V251 WeakPolarHBondContact O-CG2 3.46Å; L247-V251 PolarHBondContact O-N 2.82Å; E248-V251 PolarHBondContact O-N 2.9Å; V251-Y253 PolarHBondContact O-N 3.16Å; V251-S254 WeakPolarHBondContact O-CB 3.47Å; V251-S254 PolarHBondContact O-N 3.12Å; V251-E255 PolarHBondContact O-N 3.39Å; V251-L269 HydrophobicContact CG1-CD1 3.64Å; V251-L269 HydrophobicContact CG1-CG 3.81Å; V251-F272 HydrophobicContact CG1-CD1 4.08Å; V251-F272 HydrophobicContact CG2-CD1 4.1Å; V251-F272 HydrophobicContact CG2-CE1 3.98Å; V251-A273 HydrophobicContact CB-CB 4.2Å; V251-A273 HydrophobicContact CG1-CB 3.62Å; V251-I276 HydrophobicContact CG2-CD1 3.86Å |
| 252 | F | 91.6 | Very high | 92.5 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 6% | 0.057 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60 | -47.2 | 175.4 | -80.2 | -61.2 | 0 | 0 | 0 | 111.9 | Y206 E248 S254 E255 Y256 L270 A273 | Y206-F252 HydrophobicContact CD2-CB 3.77Å; Y206-F252 HydrophobicContact CE2-CB 3.95Å; Y206-F252 HydrophobicContact CE2-CG 4.21Å; Y206-F252 HydrophobicContact CG-CB 4.16Å; E248-F252 HydrophobicContact CG-CD2 3.78Å; E248-F252 HydrophobicContact CG-CE2 3.59Å; E248-F252 VanDerWaalsContact O-CD2 3.26Å; E248-F252 WeakPolarHBondContact O-CD2 3.25Å; E248-F252 PolarHBondContact O-N 2.85Å; F252-S254 VanDerWaalsContact C-N 3.29Å; F252-S254 PolarHBondContact O-N 3.05Å; F252-E255 PolarHBondContact O-N 3.23Å; F252-Y256 HydrophobicContact CD1-CE2 4.49Å; F252-Y256 WeakPolarHBondContact O-CD2 3.2Å; F252-Y256 PolarHBondContact O-N 3Å; F252-L270 HydrophobicContact CE1-CD1 4.21Å; F252-A273 HydrophobicContact CD1-CB 4.07Å; F252-A273 HydrophobicContact CD2-CB 4.42Å; F252-A273 HydrophobicContact CE1-CB 3.8Å; F252-A273 HydrophobicContact CE2-CB 4.18Å; F252-A273 HydrophobicContact CG-CB 4.37Å; F252-A273 HydrophobicContact CZ-CB 3.86Å |
| 253 | Y | 93.3 | Very high | 92 | Very high | 82 Ų | 82 | 36.9 Ų | 36.9 | 32% | 0.322 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57.3 | -43.8 | 176 | 171 | -103.8 | 0 | 0 | 0 | 112 | M203 M207 K249 A250 V251 E255 Y256 Q257 | M203-Y253 HydrophobicContact CG-CD2 4.34Å; M203-Y253 HydrophobicContact CG-CE2 4.42Å; M207-Y253 HydrophobicContact CB-CD2 3.84Å; M207-Y253 HydrophobicContact CB-CE2 3.91Å; M207-Y253 HydrophobicContact CG-CD2 4.43Å; M207-Y253 HydrophobicContact CG-CE2 4.12Å; K249-Y253 VanDerWaalsContact O-CB 3.32Å; K249-Y253 WeakPolarHBondContact O-CB 3.32Å; K249-Y253 PolarHBondContact O-N 3.37Å; A250-Y253 PolarHBondContact O-N 2.91Å; V251-Y253 PolarHBondContact O-N 3.16Å; Y253-E255 VanDerWaalsContact C-N 3.32Å; Y253-E255 PolarHBondContact O-N 3.26Å; Y253-Y256 PolarHBondContact O-N 3.46Å; Y253-Q257 VanDerWaalsContact O-CB 3.3Å; Y253-Q257 WeakPolarHBondContact O-CB 3.28Å; Y253-Q257 PolarHBondContact O-N 2.95Å |
| 254 | S | 92.8 | Very high | 91.6 | Very high | 59 Ų | 59 | 35 Ų | 35 | 41% | 0.413 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.7 | -39.8 | 177.9 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | A250 V251 F252 N258 | A250-S254 WeakPolarHBondContact O-CB 3.45Å; A250-S254 PolarHBondContact O-N 3.44Å; V251-S254 WeakPolarHBondContact O-CB 3.47Å; V251-S254 PolarHBondContact O-N 3.12Å; F252-S254 VanDerWaalsContact C-N 3.29Å; F252-S254 PolarHBondContact O-N 3.05Å; S254-N258 VanDerWaalsContact O-CB 3.28Å; S254-N258 WeakPolarHBondContact O-CB 3.35Å; S254-N258 PolarHBondContact O-N 3.23Å |
| 255 | E | 90.9 | Very high | 91 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.6 | -46.3 | 177.9 | -179 | 61.1 | -170.5 | 0 | 0 | 111.5 | V251 F252 Y253 Q257 N258 I259 S265 T266 L269 | V251-E255 PolarHBondContact O-N 3.39Å; F252-E255 PolarHBondContact O-N 3.23Å; Y253-E255 VanDerWaalsContact C-N 3.32Å; Y253-E255 PolarHBondContact O-N 3.26Å; E255-Q257 VanDerWaalsContact C-N 3.29Å; E255-Q257 PolarHBondContact O-N 3.36Å; E255-N258 WeakPolarHBondContact O-CB 3.34Å; E255-N258 PolarHBondContact O-N 3.39Å; E255-N258 VanDerWaalsContact O-N 3.14Å; E255-I259 HydrophobicContact CG-CD1 4.02Å; E255-I259 WeakPolarHBondContact O-CG1 3.49Å; E255-I259 PolarHBondContact O-N 3.49Å; E255-S265 WeakPolarHBondContact OE1-CA 3.48Å; E255-S265 VanDerWaalsContact OE1-CB 3.27Å; E255-S265 WeakPolarHBondContact OE1-CB 3.46Å; E255-S265 PolarHBondContact OE1-OG 3.45Å; E255-T266 PolarHBondContact OE1-N 2.89Å; E255-T266 PolarHBondContact OE2-OG1 2.89Å; E255-L269 HydrophobicContact CB-CD2 3.98Å; E255-L269 HydrophobicContact CB-CG 4.46Å; E255-L269 WeakPolarHBondContact OE2-CD2 3.17Å |
| 256 | Y | 90.3 | Very high | 90.7 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 9% | 0.09 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.5 | -36.2 | 176.9 | -77.1 | -73 | 0 | 0 | 0 | 112.3 | P29 I195 D199 L202 M203 Y206 F252 Y253 I259 N260 | P29-Y256 HydrophobicContact CB-CE1 4.29Å; I195-Y256 HydrophobicContact CD1-CD1 4.06Å; D199-Y256 HydrophobicContact CB-CD1 4.31Å; D199-Y256 HydrophobicContact CB-CE1 3.9Å; L202-Y256 HydrophobicContact CD2-CE1 4.41Å; L202-Y256 HydrophobicContact CD2-CE2 4.18Å; L202-Y256 WeakPolarHBondContact CD2-OH 3.39Å; M203-Y256 HydrophobicContact CB-CG 4.38Å; Y206-Y256 AromaticContact CD2-CD2 3.91Å; Y206-Y256 HydrophobicContact CD2-CD2 3.91Å; Y206-Y256 AromaticContact CD2-CE2 3.86Å; Y206-Y256 HydrophobicContact CD2-CE2 3.86Å; Y206-Y256 HydrophobicContact CE2-CD2 4.13Å; Y206-Y256 AromaticContact CE2-CE2 3.58Å; Y206-Y256 HydrophobicContact CE2-CE2 3.58Å; F252-Y256 HydrophobicContact CD1-CE2 4.49Å; F252-Y256 WeakPolarHBondContact O-CD2 3.2Å; F252-Y256 PolarHBondContact O-N 3Å; Y253-Y256 PolarHBondContact O-N 3.46Å; Y256-I259 PolarHBondContact O-N 3.49Å; Y256-N260 WeakPolarHBondContact O-CB 3.49Å; Y256-N260 PolarHBondContact O-N 2.91Å |
| 257 | Q | 91.4 | Very high | 90.1 | Very high | 78 Ų | 78 | 39.5 Ų | 39.5 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.8 | -38.5 | 173.8 | -174 | 64.4 | 12.1 | 0 | 0 | 112.1 | Y253 E255 N260 S261 | Y253-Q257 VanDerWaalsContact O-CB 3.3Å; Y253-Q257 WeakPolarHBondContact O-CB 3.28Å; Y253-Q257 PolarHBondContact O-N 2.95Å; E255-Q257 VanDerWaalsContact C-N 3.29Å; E255-Q257 PolarHBondContact O-N 3.36Å; Q257-N260 PolarHBondContact O-N 3.14Å; Q257-S261 PolarHBondContact O-N 2.95Å; Q257-S261 VanDerWaalsContact O-N 3.12Å; Q257-S261 PolarHBondContact O-OG 3.04Å |
| 258 | N | 91.3 | Very high | 89.6 | Confident | 44 Ų | 44 | 39.3 Ų | 39.3 | 24% | 0.235 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 174.4 | -175.6 | 58.7 | 0 | 0 | 0 | 111.4 | S254 E255 N260 S261 T262 L264 | S254-N258 VanDerWaalsContact O-CB 3.28Å; S254-N258 WeakPolarHBondContact O-CB 3.35Å; S254-N258 PolarHBondContact O-N 3.23Å; E255-N258 WeakPolarHBondContact O-CB 3.34Å; E255-N258 PolarHBondContact O-N 3.39Å; E255-N258 VanDerWaalsContact O-N 3.14Å; N258-N260 VanDerWaalsContact C-N 3.31Å; N258-N260 PolarHBondContact O-N 3.18Å; N258-S261 PolarHBondContact O-N 3.05Å; N258-S261 PolarHBondContact O-OG 2.78Å; N258-S261 VanDerWaalsContact O-OG 3.1Å; N258-T262 WeakPolarHBondContact O-CB 3.47Å; N258-T262 PolarHBondContact O-N 2.55Å; N258-T262 PolarHBondContact O-OG1 2.98Å; N258-L264 PolarHBondContact ND2-O 3.41Å |
| 259 | I | 89.3 | Confident | 89.2 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 174.6 | -68.1 | 165.5 | 0 | 0 | 0 | 110.4 | P29 Y194 E255 Y256 S261 G263 | P29-I259 HydrophobicContact CB-CD1 3.85Å; P29-I259 HydrophobicContact CG-CD1 3.49Å; P29-I259 VanDerWaalsContact CG-CD1 3.49Å; Y194-I259 WeakPolarHBondContact CB-O 3.23Å; E255-I259 HydrophobicContact CG-CD1 4.02Å; E255-I259 WeakPolarHBondContact O-CG1 3.49Å; E255-I259 PolarHBondContact O-N 3.49Å; Y256-I259 PolarHBondContact O-N 3.49Å; I259-S261 VanDerWaalsContact C-N 3.27Å; I259-S261 PolarHBondContact O-N 3.36Å; I259-G263 WeakPolarHBondContact O-CA 3.41Å; I259-G263 PolarHBondContact O-N 3.45Å |
| 260 | N | 91.5 | Very high | 88.9 | Confident | 26 Ų | 26 | 41.7 Ų | 41.7 | 14% | 0.139 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -33.4 | -178.9 | -166.9 | 31.3 | 0 | 0 | 0 | 113.2 | H192 G193 Y194 I195 M203 Y256 Q257 N258 | H192-N260 PolarHBondContact O-ND2 3.31Å; H192-N260 PolarHBondContact O-OD1 3.33Å; G193-N260 VanDerWaalsContact CA-OD1 3.32Å; G193-N260 WeakPolarHBondContact CA-OD1 3.23Å; Y194-N260 WeakPolarHBondContact CD2-O 3.44Å; Y194-N260 PolarHBondContact N-O 3.01Å; Y194-N260 PolarHBondContact N-OD1 3.31Å; I195-N260 HydrophobicContact CB-CB 4.08Å; I195-N260 HydrophobicContact CG2-CB 4.44Å; I195-N260 VanDerWaalsContact CG2-OD1 3.23Å; I195-N260 WeakPolarHBondContact CG2-OD1 3.32Å; I195-N260 PolarHBondContact N-OD1 3.49Å; M203-N260 HydrophobicContact SD-CB 4.44Å; Y256-N260 WeakPolarHBondContact O-CB 3.49Å; Y256-N260 PolarHBondContact O-N 2.91Å; Q257-N260 PolarHBondContact O-N 3.14Å; N258-N260 VanDerWaalsContact C-N 3.31Å; N258-N260 PolarHBondContact O-N 3.18Å |
| 261 | S | 89.8 | Confident | 88.6 | Confident | 72 Ų | 72 | 42.3 Ų | 42.3 | 50% | 0.503 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -91 | -41.4 | -175.9 | 50.8 | 0 | 0 | 0 | 0 | 113.9 | Q257 N258 I259 | Q257-S261 PolarHBondContact O-N 2.95Å; Q257-S261 VanDerWaalsContact O-N 3.12Å; Q257-S261 PolarHBondContact O-OG 3.04Å; N258-S261 PolarHBondContact O-N 3.05Å; N258-S261 PolarHBondContact O-OG 2.78Å; N258-S261 VanDerWaalsContact O-OG 3.1Å; I259-S261 VanDerWaalsContact C-N 3.27Å; I259-S261 PolarHBondContact O-N 3.36Å |
| 262 | T | 86.8 | Confident | 88.4 | Confident | 60 Ų | 60 | 46.4 Ų | 46.4 | 37% | 0.368 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -101.3 | -20.2 | -174.9 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | N258 L264 | N258-T262 WeakPolarHBondContact O-CB 3.47Å; N258-T262 PolarHBondContact O-N 2.55Å; N258-T262 PolarHBondContact O-OG1 2.98Å; T262-L264 PolarHBondContact O-N 2.88Å; T262-L264 PolarHBondContact OG1-N 2.94Å; T262-L264 PolarHBondContact OG1-O 3.23Å |
| 263 | G | 83.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 72.6 | 2.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G32 L33 Y194 I259 | G32-G263 PolarHBondContact N-O 2.93Å; L33-G263 PolarHBondContact N-O 3.33Å; Y194-G263 VanDerWaalsContact CB-CA 3.43Å; I259-G263 WeakPolarHBondContact O-CA 3.41Å; I259-G263 PolarHBondContact O-N 3.45Å |
| 264 | L | 85.7 | Confident | 88.2 | Confident | 77 Ų | 77 | 43 Ų | 43 | 40% | 0.403 | 25% | 0.246 | S | C | . | . | trans | -117.5 | 140.8 | 179.5 | -64.2 | 174.6 | 0 | 0 | 0 | 110.4 | L31 L33 N258 T262 | L31-L264 HydrophobicContact CD2-CD2 4.35Å; L33-L264 HydrophobicContact CB-CD2 3.94Å; L33-L264 HydrophobicContact CB-CG 4.24Å; L33-L264 HydrophobicContact CD2-CD1 4.07Å; L33-L264 HydrophobicContact CD2-CD2 4.15Å; L33-L264 HydrophobicContact CD2-CG 3.99Å; L33-L264 HydrophobicContact CG-CD2 4.26Å; L33-L264 WeakPolarHBondContact O-CD2 3.42Å; N258-L264 PolarHBondContact ND2-O 3.41Å; T262-L264 PolarHBondContact O-N 2.88Å; T262-L264 PolarHBondContact OG1-N 2.94Å; T262-L264 PolarHBondContact OG1-O 3.23Å | ||
| 265 | S | 82.6 | Confident | 88.1 | Confident | 21 Ų | 21 | 44 Ų | 44 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | trans | -91.1 | 138.3 | 173 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | V28 E255 | V28-S265 WeakPolarHBondContact CG1-OG 3.28Å; E255-S265 WeakPolarHBondContact OE1-CA 3.48Å; E255-S265 VanDerWaalsContact OE1-CB 3.27Å; E255-S265 WeakPolarHBondContact OE1-CB 3.46Å; E255-S265 PolarHBondContact OE1-OG 3.45Å | ||
| 266 | T | 86.1 | Confident | 88.2 | Confident | 63 Ų | 63 | 44.4 Ų | 44.4 | 39% | 0.387 | 25% | 0.248 | S | C | . | . | trans | -94.7 | 99.6 | 172.9 | 58 | 0 | 0 | 0 | 0 | 109.7 | E255 G268 L269 L270 | E255-T266 PolarHBondContact OE1-N 2.89Å; E255-T266 PolarHBondContact OE2-OG1 2.89Å; T266-G268 PolarHBondContact O-N 3.03Å; T266-L269 PolarHBondContact O-N 3.32Å; T266-L269 VanDerWaalsContact OG1-CB 3.23Å; T266-L269 WeakPolarHBondContact OG1-CB 3.49Å; T266-L270 PolarHBondContact O-N 3.11Å | ||
| 267 | Q | 82.4 | Confident | 88.3 | Confident | 91 Ų | 91 | 43.3 Ų | 43.3 | 43% | 0.425 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -50.4 | -38.4 | -177.6 | -69.8 | -177.9 | -26.2 | 0 | 0 | 112.9 | L269 L270 I271 | Q267-L269 PolarHBondContact O-N 3.46Å; Q267-L270 PolarHBondContact O-N 3.02Å; Q267-I271 VanDerWaalsContact O-CG1 3.28Å; Q267-I271 WeakPolarHBondContact O-CG1 3.23Å; Q267-I271 PolarHBondContact O-N 3.17Å |
| 268 | G | 85.1 | Confident | 88.3 | Confident | 53 Ų | 53 | 39.8 Ų | 39.8 | 55% | 0.546 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.8 | -37.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T266 F272 | T266-G268 PolarHBondContact O-N 3.03Å; G268-F272 WeakPolarHBondContact O-CB 3.41Å; G268-F272 PolarHBondContact O-N 3.22Å |
| 269 | L | 86.5 | Confident | 88.4 | Confident | 48 Ų | 48 | 39.7 Ų | 39.7 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71.7 | -37.4 | 179.1 | -167.3 | 63.1 | 0 | 0 | 0 | 111.1 | V251 E255 T266 Q267 F272 A273 | V251-L269 HydrophobicContact CG1-CD1 3.64Å; V251-L269 HydrophobicContact CG1-CG 3.81Å; E255-L269 HydrophobicContact CB-CD2 3.98Å; E255-L269 HydrophobicContact CB-CG 4.46Å; E255-L269 WeakPolarHBondContact OE2-CD2 3.17Å; T266-L269 PolarHBondContact O-N 3.32Å; T266-L269 VanDerWaalsContact OG1-CB 3.23Å; T266-L269 WeakPolarHBondContact OG1-CB 3.49Å; Q267-L269 PolarHBondContact O-N 3.46Å; L269-F272 PolarHBondContact O-N 3.37Å; L269-A273 WeakPolarHBondContact O-CB 3.35Å; L269-A273 PolarHBondContact O-N 3.45Å |
| 270 | L | 86.1 | Confident | 88.6 | Confident | 11 Ų | 11 | 40.1 Ų | 40.1 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.2 | -44.5 | 176.3 | -168.6 | 63.4 | 0 | 0 | 0 | 111.9 | V28 P29 F252 T266 Q267 F272 A273 E274 V328 | V28-L270 HydrophobicContact CG1-CD2 4.38Å; P29-L270 HydrophobicContact CG-CD2 4.44Å; F252-L270 HydrophobicContact CE1-CD1 4.21Å; T266-L270 PolarHBondContact O-N 3.11Å; Q267-L270 PolarHBondContact O-N 3.02Å; L270-F272 VanDerWaalsContact C-N 3.29Å; L270-F272 PolarHBondContact O-N 3.36Å; L270-A273 WeakPolarHBondContact O-CB 3.38Å; L270-A273 PolarHBondContact O-N 3.4Å; L270-E274 PolarHBondContact O-N 3.01Å; L270-V328 HydrophobicContact CB-CG1 4.34Å; L270-V328 HydrophobicContact CD2-CB 4.48Å; L270-V328 HydrophobicContact CD2-CG1 3.8Å; L270-V328 HydrophobicContact CD2-CG2 4.01Å; L270-V328 HydrophobicContact CG-CG1 4.11Å; L270-V328 HydrophobicContact CG-CG2 3.81Å |
| 271 | I | 88.9 | Confident | 88.5 | Confident | 53 Ų | 53 | 42.9 Ų | 42.9 | 27% | 0.272 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59 | -42.7 | 173 | -69.3 | 167.4 | 0 | 0 | 0 | 110.7 | Q267 E274 L275 V325 V328 | Q267-I271 VanDerWaalsContact O-CG1 3.28Å; Q267-I271 WeakPolarHBondContact O-CG1 3.23Å; Q267-I271 PolarHBondContact O-N 3.17Å; I271-E274 PolarHBondContact O-N 2.94Å; I271-L275 PolarHBondContact O-N 3.37Å; I271-V325 HydrophobicContact CG2-CG2 4.21Å; I271-V328 HydrophobicContact CG1-CB 4.24Å; I271-V328 HydrophobicContact CG1-CG1 3.79Å |
| 272 | F | 90.8 | Very high | 88.5 | Confident | 98 Ų | 98 | 39.7 Ų | 39.7 | 43% | 0.43 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 177.7 | -178.7 | -112.5 | 0 | 0 | 0 | 112.3 | V251 G268 L269 L270 E274 L275 I276 | V251-F272 HydrophobicContact CG1-CD1 4.08Å; V251-F272 HydrophobicContact CG2-CD1 4.1Å; V251-F272 HydrophobicContact CG2-CE1 3.98Å; G268-F272 WeakPolarHBondContact O-CB 3.41Å; G268-F272 PolarHBondContact O-N 3.22Å; L269-F272 PolarHBondContact O-N 3.37Å; L270-F272 VanDerWaalsContact C-N 3.29Å; L270-F272 PolarHBondContact O-N 3.36Å; F272-E274 VanDerWaalsContact C-N 3.35Å; F272-E274 PolarHBondContact O-N 3.26Å; F272-L275 PolarHBondContact O-N 3.29Å; F272-I276 HydrophobicContact CD1-CD1 3.69Å; F272-I276 HydrophobicContact CD2-CD1 4.47Å; F272-I276 HydrophobicContact CE1-CD1 3.29Å; F272-I276 HydrophobicContact CE1-CG1 4.35Å; F272-I276 HydrophobicContact CE2-CD1 4.14Å; F272-I276 HydrophobicContact CE2-CG1 4.38Å; F272-I276 HydrophobicContact CG-CD1 4.27Å; F272-I276 HydrophobicContact CZ-CD1 3.54Å; F272-I276 HydrophobicContact CZ-CG1 4.19Å; F272-I276 WeakPolarHBondContact O-CG1 3.28Å; F272-I276 PolarHBondContact O-N 2.96Å |
| 273 | A | 90.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V251 F252 L269 L270 I276 S277 | V251-A273 HydrophobicContact CB-CB 4.2Å; V251-A273 HydrophobicContact CG1-CB 3.62Å; F252-A273 HydrophobicContact CD1-CB 4.07Å; F252-A273 HydrophobicContact CD2-CB 4.42Å; F252-A273 HydrophobicContact CE1-CB 3.8Å; F252-A273 HydrophobicContact CE2-CB 4.18Å; F252-A273 HydrophobicContact CG-CB 4.37Å; F252-A273 HydrophobicContact CZ-CB 3.86Å; L269-A273 WeakPolarHBondContact O-CB 3.35Å; L269-A273 PolarHBondContact O-N 3.45Å; L270-A273 WeakPolarHBondContact O-CB 3.38Å; L270-A273 PolarHBondContact O-N 3.4Å; A273-I276 PolarHBondContact O-N 3.05Å; A273-S277 WeakPolarHBondContact O-CB 3.38Å; A273-S277 PolarHBondContact O-N 3.33Å; A273-S277 PolarHBondContact O-OG 3.16Å |
| 274 | E | 89.7 | Confident | 88.9 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.1 | -38.1 | 177.1 | -73.5 | -57.5 | 153 | 0 | 0 | 112.2 | L270 I271 F272 S277 A278 V328 | L270-E274 PolarHBondContact O-N 3.01Å; I271-E274 PolarHBondContact O-N 2.94Å; F272-E274 VanDerWaalsContact C-N 3.35Å; F272-E274 PolarHBondContact O-N 3.26Å; E274-S277 WeakPolarHBondContact O-CB 3.41Å; E274-S277 PolarHBondContact O-N 2.94Å; E274-A278 PolarHBondContact O-N 2.74Å; E274-V328 HydrophobicContact CG-CG2 3.78Å |
| 275 | L | 91.5 | Very high | 88.9 | Confident | 80 Ų | 80 | 38.1 Ų | 38.1 | 42% | 0.419 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64 | -43.2 | 175.2 | -174.6 | 64.2 | 0 | 0 | 0 | 111.9 | I271 F272 S277 A278 V279 A321 | I271-L275 PolarHBondContact O-N 3.37Å; F272-L275 PolarHBondContact O-N 3.29Å; L275-S277 VanDerWaalsContact C-N 3.28Å; L275-S277 PolarHBondContact O-N 3.47Å; L275-A278 WeakPolarHBondContact O-CB 3.28Å; L275-A278 PolarHBondContact O-N 3.44Å; L275-V279 WeakPolarHBondContact O-CG2 3.47Å; L275-V279 PolarHBondContact O-N 2.96Å; L275-A321 HydrophobicContact CD1-CB 3.94Å |
| 276 | I | 93.8 | Very high | 89 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 5% | 0.051 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.6 | -42.9 | 174 | -67.5 | 161.6 | 0 | 0 | 0 | 110.1 | L244 L247 E248 V251 F272 A273 A278 V279 K280 | L244-I276 HydrophobicContact CD2-CG2 4.04Å; L247-I276 HydrophobicContact CD2-CD1 3.62Å; L247-I276 HydrophobicContact CD2-CG1 4.11Å; L247-I276 HydrophobicContact CD2-CG2 4.43Å; L247-I276 HydrophobicContact CG-CD1 3.73Å; E248-I276 HydrophobicContact CB-CG2 3.91Å; V251-I276 HydrophobicContact CG2-CD1 3.86Å; F272-I276 HydrophobicContact CD1-CD1 3.69Å; F272-I276 HydrophobicContact CD2-CD1 4.47Å; F272-I276 HydrophobicContact CE1-CD1 3.29Å; F272-I276 HydrophobicContact CE1-CG1 4.35Å; F272-I276 HydrophobicContact CE2-CD1 4.14Å; F272-I276 HydrophobicContact CE2-CG1 4.38Å; F272-I276 HydrophobicContact CG-CD1 4.27Å; F272-I276 HydrophobicContact CZ-CD1 3.54Å; F272-I276 HydrophobicContact CZ-CG1 4.19Å; F272-I276 WeakPolarHBondContact O-CG1 3.28Å; F272-I276 PolarHBondContact O-N 2.96Å; A273-I276 PolarHBondContact O-N 3.05Å; I276-A278 VanDerWaalsContact C-N 3.34Å; I276-A278 PolarHBondContact O-N 2.93Å; I276-V279 PolarHBondContact O-N 3.45Å; I276-K280 WeakPolarHBondContact O-CB 3.36Å; I276-K280 PolarHBondContact O-N 3Å |
| 277 | S | 90.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 176.9 | -63 | 0 | 0 | 0 | 0 | 111.7 | E248 A273 E274 L275 K280 R281 | E248-S277 VanDerWaalsContact CD-OG 3.23Å; E248-S277 VanDerWaalsContact CG-OG 3.29Å; E248-S277 WeakPolarHBondContact CG-OG 3.09Å; A273-S277 WeakPolarHBondContact O-CB 3.38Å; A273-S277 PolarHBondContact O-N 3.33Å; A273-S277 PolarHBondContact O-OG 3.16Å; E274-S277 WeakPolarHBondContact O-CB 3.41Å; E274-S277 PolarHBondContact O-N 2.94Å; L275-S277 VanDerWaalsContact C-N 3.28Å; L275-S277 PolarHBondContact O-N 3.47Å; S277-K280 PolarHBondContact O-N 3.29Å; S277-R281 WeakPolarHBondContact O-CB 3.47Å; S277-R281 WeakPolarHBondContact O-CG 3.07Å; S277-R281 PolarHBondContact O-N 3.25Å |
| 278 | A | 91.8 | Very high | 88.5 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.9 | -49.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E274 L275 I276 K280 R281 T282 L317 A320 | E274-A278 PolarHBondContact O-N 2.74Å; L275-A278 WeakPolarHBondContact O-CB 3.28Å; L275-A278 PolarHBondContact O-N 3.44Å; I276-A278 VanDerWaalsContact C-N 3.34Å; I276-A278 PolarHBondContact O-N 2.93Å; A278-K280 PolarHBondContact O-N 3.37Å; A278-R281 PolarHBondContact O-N 2.95Å; A278-T282 WeakPolarHBondContact O-CG2 3.44Å; A278-T282 PolarHBondContact O-N 2.82Å; A278-T282 PolarHBondContact O-OG1 2.72Å; A278-L317 HydrophobicContact CB-CD1 4.24Å; A278-A320 HydrophobicContact CB-CB 3.95Å |
| 279 | V | 93.8 | Very high | 88 | Confident | 43 Ų | 43 | 33.2 Ų | 33.2 | 26% | 0.261 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.4 | -48.7 | 176.7 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | L244 L275 I276 R281 T282 L283 L317 | L244-V279 HydrophobicContact CD1-CG1 3.82Å; L244-V279 HydrophobicContact CD2-CG1 4.32Å; L275-V279 WeakPolarHBondContact O-CG2 3.47Å; L275-V279 PolarHBondContact O-N 2.96Å; I276-V279 PolarHBondContact O-N 3.45Å; V279-R281 PolarHBondContact O-N 3.41Å; V279-T282 PolarHBondContact O-N 2.7Å; V279-T282 PolarHBondContact O-OG1 3.43Å; V279-L283 HydrophobicContact CG1-CD1 4.1Å; V279-L283 HydrophobicContact CG1-CG 4.34Å; V279-L283 WeakPolarHBondContact O-CG 3.46Å; V279-L283 PolarHBondContact O-N 2.7Å; V279-L317 HydrophobicContact CB-CD1 4.4Å; V279-L317 HydrophobicContact CG2-CD1 3.74Å |
| 280 | K | 92.8 | Very high | 87.5 | Confident | 10 Ų | 10 | 32.5 Ų | 32.5 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.9 | -48.5 | 178.1 | -173 | -156.9 | 68.5 | -179.3 | 0 | 111.8 | V241 L244 E248 I276 S277 A278 T282 L283 A284 F434 | V241-K280 HydrophobicContact CG1-CG 4.31Å; L244-K280 HydrophobicContact CB-CB 4.07Å; L244-K280 HydrophobicContact CB-CG 4.2Å; E248-K280 IonicContact OE1-NZ 2.65Å; E248-K280 PolarHBondContact OE1-NZ 3.47Å; E248-K280 WeakPolarHBondContact OE2-CD 3.26Å; E248-K280 WeakPolarHBondContact OE2-CE 3.48Å; E248-K280 IonicContact OE2-NZ 2.63Å; E248-K280 PolarHBondContact OE2-NZ 2.82Å; I276-K280 WeakPolarHBondContact O-CB 3.36Å; I276-K280 PolarHBondContact O-N 3Å; S277-K280 PolarHBondContact O-N 3.29Å; A278-K280 PolarHBondContact O-N 3.37Å; K280-T282 VanDerWaalsContact C-N 3.3Å; K280-T282 PolarHBondContact O-N 3.45Å; K280-L283 PolarHBondContact O-N 2.71Å; K280-A284 WeakPolarHBondContact O-CB 3.23Å; K280-A284 PolarHBondContact O-N 3.19Å; K280-F434 HydrophobicContact CD-CE1 4.12Å; K280-F434 HydrophobicContact CD-CZ 4.29Å; K280-F434 HydrophobicContact CG-CZ 4.49Å |
| 281 | R | 89.2 | Confident | 86.9 | Confident | 83 Ų | 83 | 33.7 Ų | 33.7 | 31% | 0.313 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.4 | -42.2 | 177.6 | -73.6 | 172.9 | -172.4 | 176.2 | 6.5 | 111 | S277 A278 V279 R285 | S277-R281 WeakPolarHBondContact O-CB 3.47Å; S277-R281 WeakPolarHBondContact O-CG 3.07Å; S277-R281 PolarHBondContact O-N 3.25Å; A278-R281 PolarHBondContact O-N 2.95Å; V279-R281 PolarHBondContact O-N 3.41Å; R281-R285 WeakPolarHBondContact O-CG 3.15Å; R281-R285 PolarHBondContact O-N 2.78Å; R281-R285 VanDerWaalsContact O-N 3.1Å |
| 282 | T | 90.8 | Very high | 85.8 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.9 | -47.2 | 179.2 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | A278 V279 K280 A284 R285 L286 Y316 L317 | A278-T282 WeakPolarHBondContact O-CG2 3.44Å; A278-T282 PolarHBondContact O-N 2.82Å; A278-T282 PolarHBondContact O-OG1 2.72Å; V279-T282 PolarHBondContact O-N 2.7Å; V279-T282 PolarHBondContact O-OG1 3.43Å; K280-T282 VanDerWaalsContact C-N 3.3Å; K280-T282 PolarHBondContact O-N 3.45Å; T282-A284 VanDerWaalsContact C-N 3.35Å; T282-A284 PolarHBondContact O-N 3.48Å; T282-R285 PolarHBondContact O-N 3.46Å; T282-L286 VanDerWaalsContact O-CG 3.3Å; T282-L286 WeakPolarHBondContact O-CG 3.45Å; T282-L286 PolarHBondContact O-N 3.48Å; T282-Y316 HydrophobicContact CG2-CD1 3.26Å; T282-Y316 HydrophobicContact CG2-CE1 3.54Å; T282-Y316 HydrophobicContact CG2-CG 4.33Å; T282-L317 HydrophobicContact CG2-CB 3.6Å; T282-L317 HydrophobicContact CG2-CD1 3.74Å; T282-L317 HydrophobicContact CG2-CG 4.27Å |
| 283 | L | 90.3 | Very high | 84.6 | Confident | 25 Ų | 25 | 32.3 Ų | 32.3 | 13% | 0.131 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | 178.7 | -69.5 | -176.7 | 0 | 0 | 0 | 111.6 | W237 V241 L244 V279 K280 R285 L286 L287 | W237-L283 HydrophobicContact CE3-CD2 3.88Å; W237-L283 HydrophobicContact CZ3-CD2 3.53Å; V241-L283 HydrophobicContact CG2-CB 3.72Å; L244-L283 HydrophobicContact CD1-CD1 3.39Å; V279-L283 HydrophobicContact CG1-CD1 4.1Å; V279-L283 HydrophobicContact CG1-CG 4.34Å; V279-L283 WeakPolarHBondContact O-CG 3.46Å; V279-L283 PolarHBondContact O-N 2.7Å; K280-L283 PolarHBondContact O-N 2.71Å; L283-R285 VanDerWaalsContact C-N 3.33Å; L283-R285 PolarHBondContact O-N 3.3Å; L283-L286 HydrophobicContact CD2-CD1 4.48Å; L283-L286 PolarHBondContact O-N 3.23Å; L283-L287 WeakPolarHBondContact O-CB 3.3Å; L283-L287 WeakPolarHBondContact O-CG 3.49Å; L283-L287 PolarHBondContact O-N 2.81Å |
| 284 | A | 88.2 | Confident | 83.4 | Confident | 16 Ų | 16 | 32.9 Ų | 32.9 | 13% | 0.132 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | K280 T282 L287 V288 F434 | K280-A284 WeakPolarHBondContact O-CB 3.23Å; K280-A284 PolarHBondContact O-N 3.19Å; T282-A284 VanDerWaalsContact C-N 3.35Å; T282-A284 PolarHBondContact O-N 3.48Å; A284-L287 WeakPolarHBondContact O-CB 3.25Å; A284-L287 PolarHBondContact O-N 2.78Å; A284-V288 WeakPolarHBondContact O-CG2 3.49Å; A284-V288 PolarHBondContact O-N 3.31Å; A284-V288 VanDerWaalsContact O-N 3.08Å; A284-F434 HydrophobicContact CB-CE2 3.64Å; A284-F434 HydrophobicContact CB-CZ 3.9Å |
| 285 | R | 84.4 | Confident | 82.1 | Confident | 62 Ų | 62 | 33.7 Ų | 33.7 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.7 | -41 | 177.3 | -71.2 | 172.7 | -171.6 | -122.8 | 9.1 | 112.5 | R281 T282 L283 L287 V288 I289 Y316 D348 | R281-R285 WeakPolarHBondContact O-CG 3.15Å; R281-R285 PolarHBondContact O-N 2.78Å; R281-R285 VanDerWaalsContact O-N 3.1Å; T282-R285 PolarHBondContact O-N 3.46Å; L283-R285 VanDerWaalsContact C-N 3.33Å; L283-R285 PolarHBondContact O-N 3.3Å; R285-L287 VanDerWaalsContact C-N 3.3Å; R285-L287 PolarHBondContact O-N 3.32Å; R285-V288 PolarHBondContact O-N 2.87Å; R285-I289 VanDerWaalsContact O-CG1 3.31Å; R285-I289 WeakPolarHBondContact O-CG1 3.48Å; R285-I289 PolarHBondContact O-N 3.43Å; R285-Y316 PolarHBondContact NE-OH 3.17Å; R285-Y316 PolarHBondContact NH2-OH 3.21Å; R285-Y316 VanDerWaalsContact NH2-OH 3.17Å; R285-D348 IonicContact CZ-OD1 2.78Å; R285-D348 IonicContact CZ-OD2 2.66Å; R285-D348 IonicContact NH1-OD1 3.36Å; R285-D348 PolarHBondContact NH1-OD1 3.4Å; R285-D348 IonicContact NH1-OD2 3.05Å; R285-D348 IonicContact NH2-OD1 2.74Å; R285-D348 PolarHBondContact NH2-OD1 2.9Å; R285-D348 IonicContact NH2-OD2 3.1Å; R285-D348 PolarHBondContact NH2-OD2 3.25Å |
| 286 | L | 85 | Confident | 80.6 | Confident | 30 Ų | 30 | 31 Ų | 31 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 174.5 | -70.9 | 169.6 | 0 | 0 | 0 | 111.4 | T282 L283 I289 I290 V309 | T282-L286 VanDerWaalsContact O-CG 3.3Å; T282-L286 WeakPolarHBondContact O-CG 3.45Å; T282-L286 PolarHBondContact O-N 3.48Å; L283-L286 HydrophobicContact CD2-CD1 4.48Å; L283-L286 PolarHBondContact O-N 3.23Å; L286-I289 PolarHBondContact O-N 3.2Å; L286-I290 WeakPolarHBondContact O-CB 3.47Å; L286-I290 WeakPolarHBondContact O-CD1 3.46Å; L286-I290 WeakPolarHBondContact O-CG1 3.2Å; L286-I290 PolarHBondContact O-N 2.95Å; L286-V309 HydrophobicContact CD2-CG1 3.7Å; L286-V309 WeakPolarHBondContact CD2-O 3.29Å |
| 287 | L | 82.1 | Confident | 78.6 | Confident | 24 Ų | 24 | 34 Ų | 34 | 13% | 0.126 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.2 | -49.3 | 174 | -79.9 | 179.3 | 0 | 0 | 0 | 111.7 | I234 W237 I238 V241 L283 A284 R285 I289 I290 V291 | I234-L287 HydrophobicContact CG2-CD2 4.44Å; W237-L287 HydrophobicContact CB-CD1 4.43Å; W237-L287 HydrophobicContact CB-CD2 3.46Å; W237-L287 VanDerWaalsContact CB-CD2 3.46Å; W237-L287 HydrophobicContact CB-CG 4.25Å; W237-L287 HydrophobicContact CG-CD2 4.33Å; I238-L287 HydrophobicContact CG1-CD1 4.17Å; V241-L287 HydrophobicContact CB-CD1 4.42Å; V241-L287 HydrophobicContact CG2-CD1 3.65Å; L283-L287 WeakPolarHBondContact O-CB 3.3Å; L283-L287 WeakPolarHBondContact O-CG 3.49Å; L283-L287 PolarHBondContact O-N 2.81Å; A284-L287 WeakPolarHBondContact O-CB 3.25Å; A284-L287 PolarHBondContact O-N 2.78Å; R285-L287 VanDerWaalsContact C-N 3.3Å; R285-L287 PolarHBondContact O-N 3.32Å; L287-I289 VanDerWaalsContact C-N 3.33Å; L287-I289 PolarHBondContact O-N 2.97Å; L287-I290 PolarHBondContact O-N 2.78Å; L287-V291 WeakPolarHBondContact O-CB 3.41Å; L287-V291 VanDerWaalsContact O-CG2 3.23Å; L287-V291 WeakPolarHBondContact O-CG2 3.41Å; L287-V291 PolarHBondContact O-N 2.92Å |
| 288 | V | 76.3 | Confident | 76.6 | Confident | 62 Ų | 62 | 36.7 Ų | 36.7 | 38% | 0.376 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 178.7 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | A284 R285 V291 S292 I355 | A284-V288 WeakPolarHBondContact O-CG2 3.49Å; A284-V288 PolarHBondContact O-N 3.31Å; A284-V288 VanDerWaalsContact O-N 3.08Å; R285-V288 PolarHBondContact O-N 2.87Å; V288-V291 PolarHBondContact O-N 2.93Å; V288-S292 WeakPolarHBondContact O-CB 3.47Å; V288-S292 PolarHBondContact O-N 2.96Å; V288-S292 PolarHBondContact O-OG 3.25Å; V288-I355 HydrophobicContact CG1-CD1 3.97Å |
| 289 | I | 75.6 | Confident | 74.7 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -49.8 | 177 | -67.9 | 165.2 | 0 | 0 | 0 | 110.7 | R285 L286 L287 V291 S292 L293 V309 F351 | R285-I289 VanDerWaalsContact O-CG1 3.31Å; R285-I289 WeakPolarHBondContact O-CG1 3.48Å; R285-I289 PolarHBondContact O-N 3.43Å; L286-I289 PolarHBondContact O-N 3.2Å; L287-I289 VanDerWaalsContact C-N 3.33Å; L287-I289 PolarHBondContact O-N 2.97Å; I289-V291 VanDerWaalsContact C-N 3.3Å; I289-V291 PolarHBondContact O-N 3.2Å; I289-S292 WeakPolarHBondContact CA-OG 3.41Å; I289-S292 PolarHBondContact O-N 2.91Å; I289-S292 VanDerWaalsContact O-N 3.14Å; I289-S292 PolarHBondContact O-OG 3.31Å; I289-L293 HydrophobicContact CG2-CD1 3.92Å; I289-L293 HydrophobicContact CG2-CG 4.43Å; I289-L293 VanDerWaalsContact O-CG 3.31Å; I289-L293 WeakPolarHBondContact O-CG 3.46Å; I289-L293 PolarHBondContact O-N 3.01Å; I289-V309 HydrophobicContact CG2-CG1 4.08Å; I289-V309 HydrophobicContact CG2-CG2 4.42Å; I289-F351 HydrophobicContact CD1-CD1 3.99Å; I289-F351 HydrophobicContact CD1-CE1 3.66Å |
| 290 | I | 75.6 | Confident | 72.9 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 17% | 0.169 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.5 | -41.2 | -179.4 | -71.5 | 168 | 0 | 0 | 0 | 111.1 | L286 L287 L293 G294 Y295 V309 | L286-I290 WeakPolarHBondContact O-CB 3.47Å; L286-I290 WeakPolarHBondContact O-CD1 3.46Å; L286-I290 WeakPolarHBondContact O-CG1 3.2Å; L286-I290 PolarHBondContact O-N 2.95Å; L287-I290 PolarHBondContact O-N 2.78Å; I290-L293 PolarHBondContact O-N 3.43Å; I290-G294 PolarHBondContact O-N 3.4Å; I290-Y295 HydrophobicContact CG2-CD1 3.38Å; I290-Y295 HydrophobicContact CG2-CE1 4.4Å; I290-Y295 HydrophobicContact CG2-CG 3.88Å; I290-Y295 WeakPolarHBondContact O-CB 3.35Å; I290-Y295 PolarHBondContact O-N 3.31Å; I290-V309 HydrophobicContact CG1-CG1 4.33Å |
| 291 | V | 71.9 | Confident | 71.3 | Confident | 37 Ų | 37 | 55.9 Ų | 55.9 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 174.9 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | L287 V288 I289 L293 G294 W445 | L287-V291 WeakPolarHBondContact O-CB 3.41Å; L287-V291 VanDerWaalsContact O-CG2 3.23Å; L287-V291 WeakPolarHBondContact O-CG2 3.41Å; L287-V291 PolarHBondContact O-N 2.92Å; V288-V291 PolarHBondContact O-N 2.93Å; I289-V291 VanDerWaalsContact C-N 3.3Å; I289-V291 PolarHBondContact O-N 3.2Å; V291-L293 VanDerWaalsContact C-N 3.28Å; V291-L293 PolarHBondContact O-N 3.32Å; V291-G294 PolarHBondContact O-N 3.35Å; V291-W445 HydrophobicContact CB-CZ2 4.26Å; V291-W445 HydrophobicContact CG1-CZ2 3.75Å; V291-W445 HydrophobicContact CG2-CH2 3.94Å; V291-W445 HydrophobicContact CG2-CZ2 3.54Å |
| 292 | S | 66.8 | Low | 69.8 | Low | 44 Ų | 44 | 53.3 Ų | 53.3 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.8 | -30 | 178.8 | 73.5 | 0 | 0 | 0 | 0 | 113.4 | V288 I289 G294 | V288-S292 WeakPolarHBondContact O-CB 3.47Å; V288-S292 PolarHBondContact O-N 2.96Å; V288-S292 PolarHBondContact O-OG 3.25Å; I289-S292 WeakPolarHBondContact CA-OG 3.41Å; I289-S292 PolarHBondContact O-N 2.91Å; I289-S292 VanDerWaalsContact O-N 3.14Å; I289-S292 PolarHBondContact O-OG 3.31Å; S292-G294 PolarHBondContact O-N 3.27Å |
| 293 | L | 66.6 | Low | 68.9 | Low | 77 Ų | 77 | 55.5 Ų | 55.5 | 40% | 0.403 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -8.2 | 174.1 | -68.9 | 170.6 | 0 | 0 | 0 | 112.9 | I289 I290 V291 Y295 L302 V309 | I289-L293 HydrophobicContact CG2-CD1 3.92Å; I289-L293 HydrophobicContact CG2-CG 4.43Å; I289-L293 VanDerWaalsContact O-CG 3.31Å; I289-L293 WeakPolarHBondContact O-CG 3.46Å; I289-L293 PolarHBondContact O-N 3.01Å; I290-L293 PolarHBondContact O-N 3.43Å; V291-L293 VanDerWaalsContact C-N 3.28Å; V291-L293 PolarHBondContact O-N 3.32Å; L293-Y295 VanDerWaalsContact C-N 3.33Å; L293-L302 HydrophobicContact CD1-CD2 4.13Å; L293-V309 HydrophobicContact CD1-CG2 4.08Å |
| 294 | G | 64.5 | Low | 68.1 | Low | 14 Ų | 14 | 59.1 Ų | 59.1 | 14% | 0.144 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 21.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | I290 V291 S292 G296 I297 V298 | I290-G294 PolarHBondContact O-N 3.4Å; V291-G294 PolarHBondContact O-N 3.35Å; S292-G294 PolarHBondContact O-N 3.27Å; G294-G296 PolarHBondContact O-N 3.41Å; G294-I297 PolarHBondContact O-N 3.04Å; G294-I297 VanDerWaalsContact O-N 3.14Å; G294-V298 PolarHBondContact O-N 3.22Å; G294-V298 VanDerWaalsContact O-N 3.08Å |
| 295 | Y | 62.9 | Low | 67.4 | Low | 39 Ų | 39 | 61.6 Ų | 61.6 | 15% | 0.153 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -59.9 | 130.8 | 174 | -177.2 | -121.1 | 0 | 0 | 0 | 110.1 | I234 I290 L293 L302 | I234-Y295 HydrophobicContact CD1-CD1 3.85Å; I234-Y295 HydrophobicContact CD1-CE1 4.45Å; I234-Y295 WeakPolarHBondContact CD1-O 3.4Å; I234-Y295 HydrophobicContact CG1-CD1 4.03Å; I234-Y295 HydrophobicContact CG1-CE1 4.25Å; I290-Y295 HydrophobicContact CG2-CD1 3.38Å; I290-Y295 HydrophobicContact CG2-CE1 4.4Å; I290-Y295 HydrophobicContact CG2-CG 3.88Å; I290-Y295 WeakPolarHBondContact O-CB 3.35Å; I290-Y295 PolarHBondContact O-N 3.31Å; L293-Y295 VanDerWaalsContact C-N 3.33Å; Y295-L302 HydrophobicContact CD2-CB 4.15Å; Y295-L302 HydrophobicContact CD2-CD1 3.46Å; Y295-L302 VanDerWaalsContact CD2-CD1 3.46Å; Y295-L302 HydrophobicContact CD2-CG 4.22Å; Y295-L302 HydrophobicContact CE2-CB 4.29Å; Y295-L302 HydrophobicContact CE2-CD1 4.37Å; Y295-L302 HydrophobicContact CG-CD1 4.03Å |
| 296 | G | 59.1 | Low | 67 | Low | 24 Ų | 24 | 62 Ų | 62 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | -9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G294 | G294-G296 PolarHBondContact O-N 3.41Š|
| 297 | I | 51.3 | Low | 66.8 | Low | 73 Ų | 73 | 67.3 Ų | 67.3 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | -42 | 177.3 | -59 | 174.4 | 0 | 0 | 0 | 112.1 | G294 | G294-I297 PolarHBondContact O-N 3.04Å; G294-I297 VanDerWaalsContact O-N 3.14Å |
| 298 | V | 49.9 | Very low | 66.9 | Low | 57 Ų | 57 | 75.1 Ų | 75.1 | 35% | 0.345 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -32.1 | -170.6 | -165.3 | 0 | 0 | 0 | 0 | 112.4 | G294 T370 | G294-V298 PolarHBondContact O-N 3.22Å; G294-V298 VanDerWaalsContact O-N 3.08Å; V298-T370 HydrophobicContact CB-CG2 4.44Å; V298-T370 HydrophobicContact CG1-CG2 4.22Å; V298-T370 HydrophobicContact CG2-CG2 3.34Å |
| 299 | K | 51.9 | Low | 67.1 | Low | 140 Ų | 140 | 73 Ų | 73 | 61% | 0.609 | 38% | 0.383 | S | S | * | . | B | Isolated β-bridge | trans | -136.7 | 121.4 | 177 | -65.7 | -171.2 | 179 | -173.2 | 0 | 109.7 | R301 | K299-R301 PolarHBondContact O-N 2.98Å |
| 300 | P | 55.2 | Low | 67.6 | Low | 99 Ų | 99 | 76.7 Ų | 76.7 | 64% | 0.643 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -69.5 | -18.7 | -178.1 | 26.3 | -33.3 | 0 | 0 | 0 | 112.8 | ||
| 301 | R | 59.7 | Low | 68 | Low | 219 Ų | 219 | 77.1 Ų | 77.1 | 83% | 0.826 | 41% | 0.413 | S | S | * | . | trans | -138 | 114.8 | 178.2 | -61.6 | -175.9 | -178.6 | 175.9 | 0.8 | 110.5 | K299 G303 | K299-R301 PolarHBondContact O-N 2.98Å; R301-G303 PolarHBondContact O-N 3.5Å | ||
| 302 | L | 57.7 | Low | 68.6 | Low | 30 Ų | 30 | 79.2 Ų | 79.2 | 16% | 0.157 | 42% | 0.423 | C | S | . | . | trans | -77.2 | 105 | 159.9 | -103.7 | 65 | 0 | 0 | 0 | 105.6 | L293 Y295 V305 M306 | L293-L302 HydrophobicContact CD1-CD2 4.13Å; Y295-L302 HydrophobicContact CD2-CB 4.15Å; Y295-L302 HydrophobicContact CD2-CD1 3.46Å; Y295-L302 VanDerWaalsContact CD2-CD1 3.46Å; Y295-L302 HydrophobicContact CD2-CG 4.22Å; Y295-L302 HydrophobicContact CE2-CB 4.29Å; Y295-L302 HydrophobicContact CE2-CD1 4.37Å; Y295-L302 HydrophobicContact CG-CD1 4.03Å; L302-V305 HydrophobicContact CD2-CG1 4.25Å; L302-V305 HydrophobicContact CG-CB 4.44Å; L302-M306 HydrophobicContact CB-CB 3.93Å; L302-M306 WeakPolarHBondContact O-CB 3.33Å | ||
| 303 | G | 71 | Confident | 69.6 | Low | 51 Ų | 51 | 77.4 Ų | 77.4 | 53% | 0.526 | 41% | 0.411 | S | S | . | . | trans | -67.1 | -117.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R301 V305 M306 | R301-G303 PolarHBondContact O-N 3.5Å; G303-V305 PolarHBondContact O-N 2.86Å; G303-M306 PolarHBondContact O-N 3.22Å; G303-M306 VanDerWaalsContact O-N 3.09Å | ||
| 304 | T | 74.3 | Confident | 70.7 | Confident | 102 Ų | 102 | 78.6 Ų | 78.6 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.5 | -17.6 | -178.7 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | R308 | T304-R308 PolarHBondContact O-N 3.25Å |
| 305 | V | 74.1 | Confident | 71.8 | Confident | 67 Ų | 67 | 81.2 Ų | 81.2 | 41% | 0.406 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.1 | -33.4 | 175.8 | -178 | 0 | 0 | 0 | 0 | 112.1 | L302 G303 H307 R308 V309 | L302-V305 HydrophobicContact CD2-CG1 4.25Å; L302-V305 HydrophobicContact CG-CB 4.44Å; G303-V305 PolarHBondContact O-N 2.86Å; V305-H307 PolarHBondContact O-N 3.27Å; V305-R308 PolarHBondContact O-N 2.97Å; V305-V309 HydrophobicContact CG1-CG2 4.46Å; V305-V309 WeakPolarHBondContact O-CG2 3.32Å; V305-V309 PolarHBondContact O-N 2.87Å; V305-V309 VanDerWaalsContact O-N 3.08Å |
| 306 | M | 76.1 | Confident | 72.9 | Confident | 72 Ų | 72 | 79.7 Ų | 79.7 | 36% | 0.355 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 179.2 | -178.1 | 168.6 | 171.9 | 0 | 0 | 111.3 | L302 G303 R308 V309 I310 | L302-M306 HydrophobicContact CB-CB 3.93Å; L302-M306 WeakPolarHBondContact O-CB 3.33Å; G303-M306 PolarHBondContact O-N 3.22Å; G303-M306 VanDerWaalsContact O-N 3.09Å; M306-R308 VanDerWaalsContact C-N 3.27Å; M306-R308 PolarHBondContact O-N 3.2Å; M306-V309 PolarHBondContact O-N 2.97Å; M306-I310 HydrophobicContact CE-CD1 3.97Å; M306-I310 HydrophobicContact CG-CD1 3.82Å; M306-I310 HydrophobicContact CG-CG1 4.5Å; M306-I310 VanDerWaalsContact O-CG1 3.31Å; M306-I310 WeakPolarHBondContact O-CG1 3.26Å; M306-I310 PolarHBondContact O-N 3.42Å |
| 307 | H | 80.8 | Confident | 74.4 | Confident | 141 Ų | 141 | 80.7 Ų | 80.7 | 65% | 0.653 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63 | -33.4 | 177.2 | -66.5 | -64.2 | 0 | 0 | 0 | 112.7 | V305 G311 | V305-H307 PolarHBondContact O-N 3.27Å; H307-G311 PolarHBondContact O-N 3.49Å |
| 308 | R | 82.8 | Confident | 76.2 | Confident | 188 Ų | 188 | 79 Ų | 79 | 71% | 0.709 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.4 | -43.3 | 175.2 | -66.2 | 178.4 | -176.2 | -177.5 | 1.3 | 111.9 | T304 V305 M306 G311 L312 | T304-R308 PolarHBondContact O-N 3.25Å; V305-R308 PolarHBondContact O-N 2.97Å; M306-R308 VanDerWaalsContact C-N 3.27Å; M306-R308 PolarHBondContact O-N 3.2Å; R308-G311 PolarHBondContact O-N 3.47Å; R308-L312 PolarHBondContact O-N 3.28Å |
| 309 | V | 81.8 | Confident | 77.9 | Confident | 18 Ų | 18 | 78.6 Ų | 78.6 | 11% | 0.109 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65 | -42.1 | 176.9 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | L286 I289 I290 L293 V305 M306 L312 G313 | L286-V309 HydrophobicContact CD2-CG1 3.7Å; L286-V309 WeakPolarHBondContact CD2-O 3.29Å; I289-V309 HydrophobicContact CG2-CG1 4.08Å; I289-V309 HydrophobicContact CG2-CG2 4.42Å; I290-V309 HydrophobicContact CG1-CG1 4.33Å; L293-V309 HydrophobicContact CD1-CG2 4.08Å; V305-V309 HydrophobicContact CG1-CG2 4.46Å; V305-V309 WeakPolarHBondContact O-CG2 3.32Å; V305-V309 PolarHBondContact O-N 2.87Å; V305-V309 VanDerWaalsContact O-N 3.08Å; M306-V309 PolarHBondContact O-N 2.97Å; V309-L312 PolarHBondContact O-N 2.97Å; V309-G313 PolarHBondContact O-N 3.04Å |
| 310 | I | 85.4 | Confident | 79.5 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 44% | 0.441 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 174.8 | -66.9 | 167 | 0 | 0 | 0 | 110.8 | M306 L312 G313 L314 | M306-I310 HydrophobicContact CE-CD1 3.97Å; M306-I310 HydrophobicContact CG-CD1 3.82Å; M306-I310 HydrophobicContact CG-CG1 4.5Å; M306-I310 VanDerWaalsContact O-CG1 3.31Å; M306-I310 WeakPolarHBondContact O-CG1 3.26Å; M306-I310 PolarHBondContact O-N 3.42Å; I310-L312 VanDerWaalsContact C-N 3.34Å; I310-L312 PolarHBondContact O-N 3.07Å; I310-G313 PolarHBondContact O-N 2.97Å; I310-L314 PolarHBondContact O-N 2.91Å |
| 311 | G | 85.4 | Confident | 81.1 | Confident | 41 Ų | 41 | 68.1 Ų | 68.1 | 42% | 0.423 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | H307 R308 L314 L315 | H307-G311 PolarHBondContact O-N 3.49Å; R308-G311 PolarHBondContact O-N 3.47Å; G311-L314 PolarHBondContact O-N 3.45Å; G311-L315 WeakPolarHBondContact O-CB 3.1Å; G311-L315 PolarHBondContact O-N 3.2Å |
| 312 | L | 84.6 | Confident | 82.3 | Confident | 81 Ų | 81 | 58.1 Ų | 58.1 | 42% | 0.424 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 173.3 | -178 | 64.4 | 0 | 0 | 0 | 111.7 | R308 V309 I310 L315 Y316 F351 | R308-L312 PolarHBondContact O-N 3.28Å; V309-L312 PolarHBondContact O-N 2.97Å; I310-L312 VanDerWaalsContact C-N 3.34Å; I310-L312 PolarHBondContact O-N 3.07Å; L312-L315 PolarHBondContact O-N 3.3Å; L312-Y316 PolarHBondContact O-N 3.4Å; L312-F351 HydrophobicContact CD2-CE1 4.05Å; L312-F351 HydrophobicContact CD2-CZ 4.31Å; L312-F351 HydrophobicContact CG-CE1 4.41Å; L312-F351 HydrophobicContact CG-CZ 4.19Å |
| 313 | G | 86.5 | Confident | 83.5 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 6% | 0.062 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V309 I310 L315 Y316 L317 | V309-G313 PolarHBondContact O-N 3.04Å; I310-G313 PolarHBondContact O-N 2.97Å; G313-L315 VanDerWaalsContact C-N 3.34Å; G313-Y316 PolarHBondContact O-N 2.91Å; G313-L317 WeakPolarHBondContact O-CB 3.3Å; G313-L317 PolarHBondContact O-N 2.65Å |
| 314 | L | 89.8 | Confident | 83.9 | Confident | 102 Ų | 102 | 54.5 Ų | 54.5 | 53% | 0.534 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 176 | -177.7 | 65 | 0 | 0 | 0 | 111.2 | I310 G311 L317 I318 | I310-L314 PolarHBondContact O-N 2.91Å; G311-L314 PolarHBondContact O-N 3.45Å; L314-L317 PolarHBondContact O-N 2.96Å; L314-I318 HydrophobicContact CG-CD1 4.46Å; L314-I318 WeakPolarHBondContact O-CG1 3.34Å; L314-I318 PolarHBondContact O-N 3.38Å; L314-I318 VanDerWaalsContact O-N 3.09Å |
| 315 | L | 86.8 | Confident | 84.3 | Confident | 70 Ų | 70 | 51.2 Ų | 51.2 | 37% | 0.366 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 175.5 | -174.6 | 67.1 | 0 | 0 | 0 | 111.1 | G311 L312 G313 L317 I318 F319 | G311-L315 WeakPolarHBondContact O-CB 3.1Å; G311-L315 PolarHBondContact O-N 3.2Å; L312-L315 PolarHBondContact O-N 3.3Å; G313-L315 VanDerWaalsContact C-N 3.34Å; L315-L317 VanDerWaalsContact C-N 3.33Å; L315-L317 PolarHBondContact O-N 3.49Å; L315-I318 PolarHBondContact O-N 3.42Å; L315-F319 HydrophobicContact CD1-CD2 4.26Å; L315-F319 HydrophobicContact CD1-CE2 3.68Å; L315-F319 HydrophobicContact CD2-CE2 4.44Å; L315-F319 HydrophobicContact CG-CD2 4.1Å; L315-F319 HydrophobicContact CG-CE2 3.81Å; L315-F319 WeakPolarHBondContact O-CD2 3.43Å; L315-F319 PolarHBondContact O-N 3.02Å |
| 316 | Y | 87.2 | Confident | 84.5 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 175.9 | 177.3 | -109.5 | 0 | 0 | 0 | 112.2 | T282 R285 L312 G313 I318 F319 A320 L344 I347 D348 F351 | T282-Y316 HydrophobicContact CG2-CD1 3.26Å; T282-Y316 HydrophobicContact CG2-CE1 3.54Å; T282-Y316 HydrophobicContact CG2-CG 4.33Å; R285-Y316 PolarHBondContact NE-OH 3.17Å; R285-Y316 PolarHBondContact NH2-OH 3.21Å; R285-Y316 VanDerWaalsContact NH2-OH 3.17Å; L312-Y316 PolarHBondContact O-N 3.4Å; G313-Y316 PolarHBondContact O-N 2.91Å; Y316-I318 VanDerWaalsContact C-N 3.31Å; Y316-I318 PolarHBondContact O-N 2.91Å; Y316-F319 PolarHBondContact O-N 3.31Å; Y316-A320 HydrophobicContact CE1-CB 4.45Å; Y316-A320 VanDerWaalsContact O-CB 3.3Å; Y316-A320 WeakPolarHBondContact O-CB 3.35Å; Y316-A320 PolarHBondContact O-N 3.36Å; Y316-L344 HydrophobicContact CD2-CD1 4.4Å; Y316-L344 HydrophobicContact CE2-CD1 3.72Å; Y316-I347 HydrophobicContact CD2-CG2 3.78Å; Y316-I347 HydrophobicContact CE2-CG2 4.13Å; Y316-D348 WeakPolarHBondContact CE2-OD1 3.16Å; Y316-F351 HydrophobicContact CD2-CD2 4.37Å; Y316-F351 AromaticContact CD2-CE2 3.61Å; Y316-F351 HydrophobicContact CD2-CE2 3.61Å; Y316-F351 HydrophobicContact CD2-CZ 4.38Å; Y316-F351 HydrophobicContact CE2-CE2 4.16Å; Y316-F351 AromaticContact CG-CE2 3.97Å; Y316-F351 HydrophobicContact CG-CE2 3.97Å; Y316-F351 HydrophobicContact CG-CZ 4.3Å |
| 317 | L | 90.6 | Very high | 84.4 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 176.9 | 175.8 | 63.4 | 0 | 0 | 0 | 111.9 | A278 V279 T282 G313 L314 L315 A320 A321 | A278-L317 HydrophobicContact CB-CD1 4.24Å; V279-L317 HydrophobicContact CB-CD1 4.4Å; V279-L317 HydrophobicContact CG2-CD1 3.74Å; T282-L317 HydrophobicContact CG2-CB 3.6Å; T282-L317 HydrophobicContact CG2-CD1 3.74Å; T282-L317 HydrophobicContact CG2-CG 4.27Å; G313-L317 WeakPolarHBondContact O-CB 3.3Å; G313-L317 PolarHBondContact O-N 2.65Å; L314-L317 PolarHBondContact O-N 2.96Å; L315-L317 VanDerWaalsContact C-N 3.33Å; L315-L317 PolarHBondContact O-N 3.49Å; L317-A320 PolarHBondContact O-N 3.04Å; L317-A321 WeakPolarHBondContact O-CB 3.48Å; L317-A321 PolarHBondContact O-N 3.18Å |
| 318 | I | 88.5 | Confident | 84.1 | Confident | 38 Ų | 38 | 44.4 Ų | 44.4 | 20% | 0.195 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -47.3 | 178.2 | -66.6 | 167.2 | 0 | 0 | 0 | 110.4 | L11 A14 L314 L315 Y316 A321 I322 | L11-I318 HydrophobicContact CD1-CD1 3.44Å; L11-I318 VanDerWaalsContact CD1-CD1 3.44Å; A14-I318 HydrophobicContact CB-CG2 3.77Å; L314-I318 HydrophobicContact CG-CD1 4.46Å; L314-I318 WeakPolarHBondContact O-CG1 3.34Å; L314-I318 PolarHBondContact O-N 3.38Å; L314-I318 VanDerWaalsContact O-N 3.09Å; L315-I318 PolarHBondContact O-N 3.42Å; Y316-I318 VanDerWaalsContact C-N 3.31Å; Y316-I318 PolarHBondContact O-N 2.91Å; I318-A321 PolarHBondContact O-N 2.97Å; I318-I322 HydrophobicContact CG2-CD1 3.87Å; I318-I322 VanDerWaalsContact O-CG1 3.27Å; I318-I322 WeakPolarHBondContact O-CG1 3.5Å; I318-I322 PolarHBondContact O-N 3.45Å |
| 319 | F | 85.3 | Confident | 83.7 | Confident | 49 Ų | 49 | 37 Ų | 37 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.8 | -76.4 | -67.4 | 0 | 0 | 0 | 112.5 | L10 L315 Y316 I322 E323 I347 | L10-F319 HydrophobicContact CD2-CZ 4.29Å; L315-F319 HydrophobicContact CD1-CD2 4.26Å; L315-F319 HydrophobicContact CD1-CE2 3.68Å; L315-F319 HydrophobicContact CD2-CE2 4.44Å; L315-F319 HydrophobicContact CG-CD2 4.1Å; L315-F319 HydrophobicContact CG-CE2 3.81Å; L315-F319 WeakPolarHBondContact O-CD2 3.43Å; L315-F319 PolarHBondContact O-N 3.02Å; Y316-F319 PolarHBondContact O-N 3.31Å; F319-I322 PolarHBondContact O-N 3.31Å; F319-E323 WeakPolarHBondContact O-CB 3.36Å; F319-E323 PolarHBondContact O-N 2.89Å; F319-I347 HydrophobicContact CB-CD1 4.37Å; F319-I347 HydrophobicContact CD2-CD1 4.12Å; F319-I347 HydrophobicContact CG-CD1 4.15Å |
| 320 | A | 85.3 | Confident | 82.5 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.9 | -36.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A278 Y316 L317 G324 | A278-A320 HydrophobicContact CB-CB 3.95Å; Y316-A320 HydrophobicContact CE1-CB 4.45Å; Y316-A320 VanDerWaalsContact O-CB 3.3Å; Y316-A320 WeakPolarHBondContact O-CB 3.35Å; Y316-A320 PolarHBondContact O-N 3.36Å; L317-A320 PolarHBondContact O-N 3.04Å; A320-G324 PolarHBondContact O-N 2.96Å |
| 321 | A | 89.2 | Confident | 81 | Confident | 16 Ų | 16 | 33.1 Ų | 33.1 | 13% | 0.132 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.3 | -41.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L275 L317 I318 E323 G324 V325 | L275-A321 HydrophobicContact CD1-CB 3.94Å; L317-A321 WeakPolarHBondContact O-CB 3.48Å; L317-A321 PolarHBondContact O-N 3.18Å; I318-A321 PolarHBondContact O-N 2.97Å; A321-E323 VanDerWaalsContact C-N 3.35Å; A321-G324 PolarHBondContact O-N 2.66Å; A321-V325 WeakPolarHBondContact O-CB 2.99Å; A321-V325 WeakPolarHBondContact O-CG2 3.15Å; A321-V325 PolarHBondContact O-N 3.05Å |
| 322 | I | 85.1 | Confident | 79.2 | Confident | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.046 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 175 | -70.6 | 167.4 | 0 | 0 | 0 | 110.3 | A14 L18 I318 F319 V325 M326 | A14-I322 HydrophobicContact CB-CD1 3.6Å; A14-I322 WeakPolarHBondContact O-CD1 3.39Å; L18-I322 HydrophobicContact CD1-CD1 4.35Å; L18-I322 HydrophobicContact CD1-CG1 4.12Å; L18-I322 HydrophobicContact CD2-CG1 3.77Å; L18-I322 HydrophobicContact CG-CD1 4.2Å; L18-I322 HydrophobicContact CG-CG1 3.74Å; I318-I322 HydrophobicContact CG2-CD1 3.87Å; I318-I322 VanDerWaalsContact O-CG1 3.27Å; I318-I322 WeakPolarHBondContact O-CG1 3.5Å; I318-I322 PolarHBondContact O-N 3.45Å; F319-I322 PolarHBondContact O-N 3.31Å; I322-V325 PolarHBondContact O-N 3.46Å; I322-M326 HydrophobicContact CG2-CG 4.04Å; I322-M326 VanDerWaalsContact O-CB 3.23Å; I322-M326 WeakPolarHBondContact O-CB 3.29Å; I322-M326 WeakPolarHBondContact O-CG 3.48Å; I322-M326 PolarHBondContact O-N 2.85Å |
| 323 | E | 82.4 | Confident | 77.6 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.2 | -50.3 | 176.8 | -176.7 | -87 | 132.5 | 0 | 0 | 111.5 | F319 A321 V325 M326 R327 T340 L344 | F319-E323 WeakPolarHBondContact O-CB 3.36Å; F319-E323 PolarHBondContact O-N 2.89Å; A321-E323 VanDerWaalsContact C-N 3.35Å; E323-V325 VanDerWaalsContact C-N 3.35Å; E323-V325 PolarHBondContact O-N 3.27Å; E323-M326 PolarHBondContact O-N 2.84Å; E323-R327 WeakPolarHBondContact O-CB 3.5Å; E323-R327 PolarHBondContact O-N 3.43Å; E323-R327 IonicContact OE1-CZ 2.85Å; E323-R327 IonicContact OE1-NE 3.84Å; E323-R327 PolarHBondContact OE1-NE 2.93Å; E323-R327 IonicContact OE1-NH2 3.08Å; E323-R327 PolarHBondContact OE1-NH2 2.94Å; E323-R327 IonicContact OE2-NH2 3.99Å; E323-T340 HydrophobicContact CB-CG2 3.73Å; E323-T340 HydrophobicContact CG-CG2 4.08Å; E323-L344 HydrophobicContact CB-CD2 4.02Å; E323-L344 HydrophobicContact CG-CD2 3.62Å; E323-L344 VanDerWaalsContact OE2-CD2 3.28Å; E323-L344 WeakPolarHBondContact OE2-CD2 3.05Å |
| 324 | G | 79.9 | Confident | 76 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A320 A321 R327 V328 | A320-G324 PolarHBondContact O-N 2.96Å; A321-G324 PolarHBondContact O-N 2.66Å; G324-R327 PolarHBondContact O-N 3.04Å; G324-V328 WeakPolarHBondContact O-CG2 3.22Å; G324-V328 PolarHBondContact O-N 3.17Å |
| 325 | V | 83.4 | Confident | 74.5 | Confident | 34 Ų | 34 | 46.5 Ų | 46.5 | 21% | 0.206 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.7 | -44.1 | 176.5 | 172 | 0 | 0 | 0 | 0 | 111.4 | I271 A321 I322 E323 R327 V328 I329 | I271-V325 HydrophobicContact CG2-CG2 4.21Å; A321-V325 WeakPolarHBondContact O-CB 2.99Å; A321-V325 WeakPolarHBondContact O-CG2 3.15Å; A321-V325 PolarHBondContact O-N 3.05Å; I322-V325 PolarHBondContact O-N 3.46Å; E323-V325 VanDerWaalsContact C-N 3.35Å; E323-V325 PolarHBondContact O-N 3.27Å; V325-R327 VanDerWaalsContact C-N 3.27Å; V325-R327 PolarHBondContact O-N 3.38Å; V325-V328 PolarHBondContact O-N 2.98Å; V325-V328 VanDerWaalsContact O-N 3.16Å; V325-I329 HydrophobicContact CG1-CD1 3.51Å; V325-I329 HydrophobicContact CG1-CG1 4.27Å; V325-I329 WeakPolarHBondContact O-CG1 3.36Å; V325-I329 PolarHBondContact O-N 3.39Å |
| 326 | M | 77.3 | Confident | 73.2 | Confident | 34 Ų | 34 | 45.1 Ų | 45.1 | 17% | 0.167 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -31.6 | 177.7 | -73.2 | -66.8 | -59.7 | 0 | 0 | 111.9 | I322 E323 V328 G330 A336 V337 | I322-M326 HydrophobicContact CG2-CG 4.04Å; I322-M326 VanDerWaalsContact O-CB 3.23Å; I322-M326 WeakPolarHBondContact O-CB 3.29Å; I322-M326 WeakPolarHBondContact O-CG 3.48Å; I322-M326 PolarHBondContact O-N 2.85Å; E323-M326 PolarHBondContact O-N 2.84Å; M326-V328 VanDerWaalsContact C-N 3.33Å; M326-G330 WeakPolarHBondContact O-CA 3.3Å; M326-G330 PolarHBondContact O-N 3.4Å; M326-A336 HydrophobicContact CE-CB 4.33Å; M326-V337 HydrophobicContact CE-CG2 4.04Å |
| 327 | R | 74.8 | Confident | 72 | Confident | 95 Ų | 95 | 45.5 Ų | 45.5 | 36% | 0.358 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.4 | -36.3 | 173.4 | -174 | -172.3 | -65.4 | -141.1 | -6.9 | 112.2 | A27 E323 G324 V325 | A27-R327 VanDerWaalsContact CB-O 3.22Å; A27-R327 WeakPolarHBondContact CB-O 3.37Å; E323-R327 WeakPolarHBondContact O-CB 3.5Å; E323-R327 PolarHBondContact O-N 3.43Å; E323-R327 IonicContact OE1-CZ 2.85Å; E323-R327 IonicContact OE1-NE 3.84Å; E323-R327 PolarHBondContact OE1-NE 2.93Å; E323-R327 IonicContact OE1-NH2 3.08Å; E323-R327 PolarHBondContact OE1-NH2 2.94Å; E323-R327 IonicContact OE2-NH2 3.99Å; G324-R327 PolarHBondContact O-N 3.04Å; V325-R327 VanDerWaalsContact C-N 3.27Å; V325-R327 PolarHBondContact O-N 3.38Å |
| 328 | V | 74.6 | Confident | 70.7 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -78.8 | -41.2 | 179.4 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | L270 I271 E274 G324 V325 M326 | L270-V328 HydrophobicContact CB-CG1 4.34Å; L270-V328 HydrophobicContact CD2-CB 4.48Å; L270-V328 HydrophobicContact CD2-CG1 3.8Å; L270-V328 HydrophobicContact CD2-CG2 4.01Å; L270-V328 HydrophobicContact CG-CG1 4.11Å; L270-V328 HydrophobicContact CG-CG2 3.81Å; I271-V328 HydrophobicContact CG1-CB 4.24Å; I271-V328 HydrophobicContact CG1-CG1 3.79Å; E274-V328 HydrophobicContact CG-CG2 3.78Å; G324-V328 WeakPolarHBondContact O-CG2 3.22Å; G324-V328 PolarHBondContact O-N 3.17Å; V325-V328 PolarHBondContact O-N 2.98Å; V325-V328 VanDerWaalsContact O-N 3.16Å; M326-V328 VanDerWaalsContact C-N 3.33Å |
| 329 | I | 72.9 | Confident | 69.6 | Low | 34 Ų | 34 | 49.9 Ų | 49.9 | 17% | 0.174 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -87.8 | -34.6 | -174.7 | -61.5 | 177.1 | 0 | 0 | 0 | 112 | V21 V325 G331 | V21-I329 HydrophobicContact CG1-CD1 4.34Å; V21-I329 HydrophobicContact CG1-CG2 4.18Å; V325-I329 HydrophobicContact CG1-CD1 3.51Å; V325-I329 HydrophobicContact CG1-CG1 4.27Å; V325-I329 WeakPolarHBondContact O-CG1 3.36Å; V325-I329 PolarHBondContact O-N 3.39Å; I329-G331 PolarHBondContact O-N 2.86Å |
| 330 | G | 57 | Low | 68.6 | Low | 13 Ų | 13 | 49 Ų | 49 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -92.1 | 102.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A27 M326 | A27-G330 WeakPolarHBondContact CB-O 3.42Å; M326-G330 WeakPolarHBondContact O-CA 3.3Å; M326-G330 PolarHBondContact O-N 3.4Å |
| 331 | G | 55 | Low | 67.7 | Low | 9 Ų | 9 | 52 Ų | 52 | 9% | 0.093 | 28% | 0.284 | C | S | . | . | trans | -48.9 | 143.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V25 I329 K333 H334 | V25-G331 WeakPolarHBondContact O-CA 3.14Å; V25-G331 PolarHBondContact O-N 2.84Å; I329-G331 PolarHBondContact O-N 2.86Å; G331-K333 PolarHBondContact O-N 2.67Å; G331-H334 PolarHBondContact O-N 3.04Å | ||
| 332 | S | 48.1 | Very low | 66.9 | Low | 102 Ų | 102 | 55.9 Ų | 55.9 | 71% | 0.713 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 6.7 | -170 | -41.9 | 0 | 0 | 0 | 0 | 117.3 | ||
| 333 | K | 50.1 | Low | 66.3 | Low | 148 Ų | 148 | 58.4 Ų | 58.4 | 64% | 0.643 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -12.4 | -174.3 | -59.2 | -174.2 | -177.4 | -178.5 | 0 | 114.3 | E91 G331 L335 | E91-K333 IonicContact OE1-NZ 3.28Å; E91-K333 PolarHBondContact OE1-NZ 2.61Å; E91-K333 IonicContact OE2-NZ 2.7Å; E91-K333 PolarHBondContact OE2-NZ 3.22Å; G331-K333 PolarHBondContact O-N 2.67Å; K333-L335 PolarHBondContact O-N 2.68Å |
| 334 | H | 53.7 | Low | 65.7 | Low | 127 Ų | 127 | 59 Ų | 59 | 59% | 0.588 | 32% | 0.32 | S | S | * | . | trans | -83.4 | 120 | 178.8 | -117.8 | -83.6 | 0 | 0 | 0 | 111.2 | G331 A336 V337 | G331-H334 PolarHBondContact O-N 3.04Å; H334-A336 PolarHBondContact O-N 2.67Å; H334-V337 PolarHBondContact O-N 3.16Å | ||
| 335 | L | 56.5 | Low | 65.3 | Low | 134 Ų | 134 | 61.3 Ų | 61.3 | 70% | 0.702 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -47.6 | -30 | 175.1 | -158.3 | 160.7 | 0 | 0 | 0 | 112.1 | K333 V338 L339 | K333-L335 PolarHBondContact O-N 2.68Å; L335-V338 PolarHBondContact O-N 2.76Å; L335-L339 HydrophobicContact CD2-CB 4.46Å; L335-L339 HydrophobicContact CD2-CD1 4.14Å; L335-L339 VanDerWaalsContact O-CB 3.22Å; L335-L339 WeakPolarHBondContact O-CB 3.23Å; L335-L339 PolarHBondContact O-N 3.31Å |
| 336 | A | 59.7 | Low | 64.9 | Low | 41 Ų | 41 | 63.3 Ų | 63.3 | 34% | 0.339 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.2 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | M326 H334 L339 T340 | M326-A336 HydrophobicContact CE-CB 4.33Å; H334-A336 PolarHBondContact O-N 2.67Å; A336-L339 PolarHBondContact O-N 2.8Å; A336-T340 WeakPolarHBondContact O-CB 3.22Å; A336-T340 PolarHBondContact O-N 3.37Å; A336-T340 PolarHBondContact O-OG1 3.06Å |
| 337 | V | 62.7 | Low | 64.7 | Low | 14 Ų | 14 | 63.3 Ų | 63.3 | 9% | 0.085 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.7 | -47.5 | 179.4 | -179.7 | 0 | 0 | 0 | 0 | 110 | M326 H334 L339 T340 D341 | M326-V337 HydrophobicContact CE-CG2 4.04Å; H334-V337 PolarHBondContact O-N 3.16Å; V337-L339 VanDerWaalsContact C-N 3.3Å; V337-L339 PolarHBondContact O-N 2.57Å; V337-T340 PolarHBondContact O-N 2.73Å; V337-T340 VanDerWaalsContact O-N 3.17Å; V337-D341 PolarHBondContact O-N 3.38Å |
| 338 | V | 63.9 | Low | 64.5 | Low | 77 Ų | 77 | 60.7 Ų | 60.7 | 47% | 0.467 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 176.2 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | L335 D341 I342 | L335-V338 PolarHBondContact O-N 2.76Å; V338-D341 PolarHBondContact O-N 3.46Å; V338-I342 HydrophobicContact CG1-CD1 3.85Å; V338-I342 HydrophobicContact CG1-CG1 4.46Å; V338-I342 WeakPolarHBondContact O-CB 3.41Å; V338-I342 WeakPolarHBondContact O-CD1 3.38Å; V338-I342 WeakPolarHBondContact O-CG1 3.06Å; V338-I342 PolarHBondContact O-N 2.65Å |
| 339 | L | 64.3 | Low | 64.3 | Low | 98 Ų | 98 | 64 Ų | 64 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 176.8 | -164.5 | 109.8 | 0 | 0 | 0 | 111.4 | L335 A336 V337 I342 V343 | L335-L339 HydrophobicContact CD2-CB 4.46Å; L335-L339 HydrophobicContact CD2-CD1 4.14Å; L335-L339 VanDerWaalsContact O-CB 3.22Å; L335-L339 WeakPolarHBondContact O-CB 3.23Å; L335-L339 PolarHBondContact O-N 3.31Å; A336-L339 PolarHBondContact O-N 2.8Å; V337-L339 VanDerWaalsContact C-N 3.3Å; V337-L339 PolarHBondContact O-N 2.57Å; L339-I342 PolarHBondContact O-N 2.69Å; L339-V343 WeakPolarHBondContact O-CB 3.37Å; L339-V343 VanDerWaalsContact O-CG2 3.25Å; L339-V343 WeakPolarHBondContact O-CG2 3.23Å; L339-V343 PolarHBondContact O-N 2.85Å |
| 340 | T | 64.9 | Low | 64.2 | Low | 31 Ų | 31 | 67 Ų | 67 | 19% | 0.19 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 175.9 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | E323 A336 V337 V343 L344 | E323-T340 HydrophobicContact CB-CG2 3.73Å; E323-T340 HydrophobicContact CG-CG2 4.08Å; A336-T340 WeakPolarHBondContact O-CB 3.22Å; A336-T340 PolarHBondContact O-N 3.37Å; A336-T340 PolarHBondContact O-OG1 3.06Å; V337-T340 PolarHBondContact O-N 2.73Å; V337-T340 VanDerWaalsContact O-N 3.17Å; T340-V343 PolarHBondContact O-N 3.18Å; T340-L344 WeakPolarHBondContact O-CB 3.42Å; T340-L344 PolarHBondContact O-N 3.45Å |
| 341 | D | 66.9 | Low | 64.7 | Low | 64 Ų | 64 | 67.3 Ų | 67.3 | 34% | 0.342 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 173.9 | -79.5 | -20.1 | 0 | 0 | 0 | 112 | V337 V338 L344 A345 | V337-D341 PolarHBondContact O-N 3.38Å; V338-D341 PolarHBondContact O-N 3.46Å; D341-L344 PolarHBondContact O-N 3Å; D341-A345 VanDerWaalsContact O-CB 3.29Å; D341-A345 WeakPolarHBondContact O-CB 3.35Å; D341-A345 PolarHBondContact O-N 2.86Å |
| 342 | I | 72.3 | Confident | 65.1 | Low | 99 Ų | 99 | 70.9 Ų | 70.9 | 51% | 0.508 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 176.4 | -69.3 | 164.3 | 0 | 0 | 0 | 110.4 | V338 L339 L344 A345 V346 | V338-I342 HydrophobicContact CG1-CD1 3.85Å; V338-I342 HydrophobicContact CG1-CG1 4.46Å; V338-I342 WeakPolarHBondContact O-CB 3.41Å; V338-I342 WeakPolarHBondContact O-CD1 3.38Å; V338-I342 WeakPolarHBondContact O-CG1 3.06Å; V338-I342 PolarHBondContact O-N 2.65Å; L339-I342 PolarHBondContact O-N 2.69Å; I342-L344 VanDerWaalsContact C-N 3.35Å; I342-L344 PolarHBondContact O-N 2.91Å; I342-A345 PolarHBondContact O-N 3.19Å; I342-V346 HydrophobicContact CG2-CG2 4.48Å; I342-V346 VanDerWaalsContact O-CG2 3.29Å; I342-V346 WeakPolarHBondContact O-CG2 3.38Å; I342-V346 PolarHBondContact O-N 3.43Å |
| 343 | V | 72.3 | Confident | 65.9 | Low | 62 Ų | 62 | 73.4 Ų | 73.4 | 38% | 0.376 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 178.1 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | L339 T340 V346 I347 | L339-V343 WeakPolarHBondContact O-CB 3.37Å; L339-V343 VanDerWaalsContact O-CG2 3.25Å; L339-V343 WeakPolarHBondContact O-CG2 3.23Å; L339-V343 PolarHBondContact O-N 2.85Å; T340-V343 PolarHBondContact O-N 3.18Å; V343-V346 PolarHBondContact O-N 2.85Å; V343-I347 HydrophobicContact CG1-CD1 3.95Å; V343-I347 VanDerWaalsContact O-CG1 3.3Å; V343-I347 WeakPolarHBondContact O-CG1 2.7Å; V343-I347 PolarHBondContact O-N 2.88Å |
| 344 | L | 69.6 | Low | 66.6 | Low | 14 Ų | 14 | 71.1 Ų | 71.1 | 7% | 0.073 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 176.5 | -172.1 | 65.8 | 0 | 0 | 0 | 111.5 | Y316 E323 T340 D341 I342 V346 I347 D348 | Y316-L344 HydrophobicContact CD2-CD1 4.4Å; Y316-L344 HydrophobicContact CE2-CD1 3.72Å; E323-L344 HydrophobicContact CB-CD2 4.02Å; E323-L344 HydrophobicContact CG-CD2 3.62Å; E323-L344 VanDerWaalsContact OE2-CD2 3.28Å; E323-L344 WeakPolarHBondContact OE2-CD2 3.05Å; T340-L344 WeakPolarHBondContact O-CB 3.42Å; T340-L344 PolarHBondContact O-N 3.45Å; D341-L344 PolarHBondContact O-N 3Å; I342-L344 VanDerWaalsContact C-N 3.35Å; I342-L344 PolarHBondContact O-N 2.91Å; L344-V346 VanDerWaalsContact C-N 3.29Å; L344-V346 PolarHBondContact O-N 3.46Å; L344-I347 PolarHBondContact O-N 2.88Å; L344-D348 WeakPolarHBondContact O-CB 3.35Å; L344-D348 PolarHBondContact O-N 3.22Å |
| 345 | A | 71.6 | Confident | 66.9 | Low | 50 Ų | 50 | 67.3 Ų | 67.3 | 41% | 0.413 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.8 | -35.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D341 I342 S349 | D341-A345 VanDerWaalsContact O-CB 3.29Å; D341-A345 WeakPolarHBondContact O-CB 3.35Å; D341-A345 PolarHBondContact O-N 2.86Å; I342-A345 PolarHBondContact O-N 3.19Å; A345-S349 VanDerWaalsContact O-CB 3.26Å; A345-S349 WeakPolarHBondContact O-CB 2.91Å; A345-S349 PolarHBondContact O-N 3.05Å; A345-S349 PolarHBondContact O-OG 3.21Å |
| 346 | V | 74.6 | Confident | 66.8 | Low | 76 Ų | 76 | 63.7 Ų | 63.7 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.6 | -44.2 | 172.7 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | I342 V343 L344 D348 S349 I350 | I342-V346 HydrophobicContact CG2-CG2 4.48Å; I342-V346 VanDerWaalsContact O-CG2 3.29Å; I342-V346 WeakPolarHBondContact O-CG2 3.38Å; I342-V346 PolarHBondContact O-N 3.43Å; V343-V346 PolarHBondContact O-N 2.85Å; L344-V346 VanDerWaalsContact C-N 3.29Å; L344-V346 PolarHBondContact O-N 3.46Å; V346-D348 VanDerWaalsContact C-N 3.31Å; V346-D348 PolarHBondContact O-N 3.32Å; V346-S349 CarbonylContact O-C 3.55Å; V346-S349 WeakPolarHBondContact O-CB 3.46Å; V346-S349 PolarHBondContact O-N 3.45Å; V346-I350 HydrophobicContact CG1-CD1 3.82Å; V346-I350 HydrophobicContact CG1-CG1 4.42Å; V346-I350 WeakPolarHBondContact O-CB 3.11Å; V346-I350 VanDerWaalsContact O-CG1 3.23Å; V346-I350 WeakPolarHBondContact O-CG1 3.15Å; V346-I350 PolarHBondContact O-N 2.94Å |
| 347 | I | 72.8 | Confident | 66.5 | Low | 35 Ų | 35 | 66.3 Ų | 66.3 | 18% | 0.179 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.5 | -70.4 | 166.3 | 0 | 0 | 0 | 110.4 | Y316 F319 V343 L344 S349 I350 F351 | Y316-I347 HydrophobicContact CD2-CG2 3.78Å; Y316-I347 HydrophobicContact CE2-CG2 4.13Å; F319-I347 HydrophobicContact CB-CD1 4.37Å; F319-I347 HydrophobicContact CD2-CD1 4.12Å; F319-I347 HydrophobicContact CG-CD1 4.15Å; V343-I347 HydrophobicContact CG1-CD1 3.95Å; V343-I347 VanDerWaalsContact O-CG1 3.3Å; V343-I347 WeakPolarHBondContact O-CG1 2.7Å; V343-I347 PolarHBondContact O-N 2.88Å; L344-I347 PolarHBondContact O-N 2.88Å; I347-S349 VanDerWaalsContact C-N 3.35Å; I347-I350 CarbonylContact O-C 3.52Å; I347-I350 WeakPolarHBondContact O-CB 3.22Å; I347-I350 PolarHBondContact O-N 3.02Å; I347-F351 HydrophobicContact CG2-CD2 3.62Å; I347-F351 HydrophobicContact CG2-CE2 3.43Å; I347-F351 VanDerWaalsContact CG2-CE2 3.43Å; I347-F351 WeakPolarHBondContact O-CD2 3.48Å; I347-F351 PolarHBondContact O-N 2.92Å |
| 348 | D | 71.8 | Confident | 66 | Low | 40 Ų | 40 | 67.3 Ų | 67.3 | 21% | 0.214 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.6 | -41 | 175.9 | -77.3 | 0.2 | 0 | 0 | 0 | 111.7 | R285 Y316 L344 V346 I350 F351 V352 | R285-D348 IonicContact CZ-OD1 2.78Å; R285-D348 IonicContact CZ-OD2 2.66Å; R285-D348 IonicContact NH1-OD1 3.36Å; R285-D348 PolarHBondContact NH1-OD1 3.4Å; R285-D348 IonicContact NH1-OD2 3.05Å; R285-D348 IonicContact NH2-OD1 2.74Å; R285-D348 PolarHBondContact NH2-OD1 2.9Å; R285-D348 IonicContact NH2-OD2 3.1Å; R285-D348 PolarHBondContact NH2-OD2 3.25Å; Y316-D348 WeakPolarHBondContact CE2-OD1 3.16Å; L344-D348 WeakPolarHBondContact O-CB 3.35Å; L344-D348 PolarHBondContact O-N 3.22Å; V346-D348 VanDerWaalsContact C-N 3.31Å; V346-D348 PolarHBondContact O-N 3.32Å; D348-I350 VanDerWaalsContact C-N 3.32Å; D348-I350 PolarHBondContact O-N 3.45Å; D348-F351 WeakPolarHBondContact O-CB 3.34Å; D348-F351 PolarHBondContact O-N 3.08Å; D348-V352 WeakPolarHBondContact O-CB 3.46Å; D348-V352 VanDerWaalsContact O-CG2 3.28Å; D348-V352 WeakPolarHBondContact O-CG2 2.98Å; D348-V352 PolarHBondContact O-N 3.45Å |
| 349 | S | 70.1 | Confident | 65 | Low | 77 Ų | 77 | 67.5 Ų | 67.5 | 54% | 0.538 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.9 | -36 | 173.4 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | A345 V346 I347 W353 | A345-S349 VanDerWaalsContact O-CB 3.26Å; A345-S349 WeakPolarHBondContact O-CB 2.91Å; A345-S349 PolarHBondContact O-N 3.05Å; A345-S349 PolarHBondContact O-OG 3.21Å; V346-S349 CarbonylContact O-C 3.55Å; V346-S349 WeakPolarHBondContact O-CB 3.46Å; V346-S349 PolarHBondContact O-N 3.45Å; I347-S349 VanDerWaalsContact C-N 3.35Å; S349-W353 WeakPolarHBondContact O-CA 3.46Å; S349-W353 WeakPolarHBondContact O-CB 2.97Å; S349-W353 PolarHBondContact O-N 3.4Å |
| 350 | I | 70.3 | Confident | 64 | Low | 96 Ų | 96 | 67 Ų | 67 | 49% | 0.492 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69 | -38.3 | 172.8 | -69.3 | 163.4 | 0 | 0 | 0 | 110.4 | V346 I347 D348 W353 F354 | V346-I350 HydrophobicContact CG1-CD1 3.82Å; V346-I350 HydrophobicContact CG1-CG1 4.42Å; V346-I350 WeakPolarHBondContact O-CB 3.11Å; V346-I350 VanDerWaalsContact O-CG1 3.23Å; V346-I350 WeakPolarHBondContact O-CG1 3.15Å; V346-I350 PolarHBondContact O-N 2.94Å; I347-I350 CarbonylContact O-C 3.52Å; I347-I350 WeakPolarHBondContact O-CB 3.22Å; I347-I350 PolarHBondContact O-N 3.02Å; D348-I350 VanDerWaalsContact C-N 3.32Å; D348-I350 PolarHBondContact O-N 3.45Å; I350-W353 CarbonylContact O-C 3.37Å; I350-W353 PolarHBondContact O-N 3.21Å; I350-F354 WeakPolarHBondContact O-CB 3.35Å; I350-F354 PolarHBondContact O-N 3.44Å |
| 351 | F | 67.6 | Low | 62.8 | Low | 19 Ų | 19 | 71.9 Ų | 71.9 | 8% | 0.083 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 173.6 | -85.8 | -69.2 | 0 | 0 | 0 | 111.4 | I289 L312 Y316 I347 D348 W353 F354 I355 | I289-F351 HydrophobicContact CD1-CD1 3.99Å; I289-F351 HydrophobicContact CD1-CE1 3.66Å; L312-F351 HydrophobicContact CD2-CE1 4.05Å; L312-F351 HydrophobicContact CD2-CZ 4.31Å; L312-F351 HydrophobicContact CG-CE1 4.41Å; L312-F351 HydrophobicContact CG-CZ 4.19Å; Y316-F351 HydrophobicContact CD2-CD2 4.37Å; Y316-F351 AromaticContact CD2-CE2 3.61Å; Y316-F351 HydrophobicContact CD2-CE2 3.61Å; Y316-F351 HydrophobicContact CD2-CZ 4.38Å; Y316-F351 HydrophobicContact CE2-CE2 4.16Å; Y316-F351 AromaticContact CG-CE2 3.97Å; Y316-F351 HydrophobicContact CG-CE2 3.97Å; Y316-F351 HydrophobicContact CG-CZ 4.3Å; I347-F351 HydrophobicContact CG2-CD2 3.62Å; I347-F351 HydrophobicContact CG2-CE2 3.43Å; I347-F351 VanDerWaalsContact CG2-CE2 3.43Å; I347-F351 WeakPolarHBondContact O-CD2 3.48Å; I347-F351 PolarHBondContact O-N 2.92Å; D348-F351 WeakPolarHBondContact O-CB 3.34Å; D348-F351 PolarHBondContact O-N 3.08Å; F351-W353 VanDerWaalsContact C-N 3.34Å; F351-F354 PolarHBondContact O-N 2.93Å; F351-I355 WeakPolarHBondContact O-CB 3.38Å; F351-I355 VanDerWaalsContact O-CG1 3.22Å; F351-I355 WeakPolarHBondContact O-CG1 3.39Å; F351-I355 PolarHBondContact O-N 3.44Å |
| 352 | V | 64.1 | Low | 61.7 | Low | 85 Ų | 85 | 70.7 Ų | 70.7 | 52% | 0.515 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | D348 I355 S356 | D348-V352 WeakPolarHBondContact O-CB 3.46Å; D348-V352 VanDerWaalsContact O-CG2 3.28Å; D348-V352 WeakPolarHBondContact O-CG2 2.98Å; D348-V352 PolarHBondContact O-N 3.45Å; V352-I355 CarbonylContact O-C 3.53Å; V352-I355 PolarHBondContact O-N 3.38Å; V352-S356 WeakPolarHBondContact O-CA 3.27Å; V352-S356 WeakPolarHBondContact O-CB 3.23Å; V352-S356 PolarHBondContact O-N 2.95Å; V352-S356 PolarHBondContact O-OG 3.29Å |
| 353 | W | 64.9 | Low | 60.4 | Low | 155 Ų | 155 | 70.4 Ų | 70.4 | 59% | 0.587 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.3 | -38.7 | 173.6 | -177.2 | 81.7 | 0 | 0 | 0 | 111.1 | S349 I350 F351 S356 F357 | S349-W353 WeakPolarHBondContact O-CA 3.46Å; S349-W353 WeakPolarHBondContact O-CB 2.97Å; S349-W353 PolarHBondContact O-N 3.4Å; I350-W353 CarbonylContact O-C 3.37Å; I350-W353 PolarHBondContact O-N 3.21Å; F351-W353 VanDerWaalsContact C-N 3.34Å; W353-S356 CarbonylContact O-C 3.58Å; W353-S356 PolarHBondContact O-N 3.15Å; W353-F357 HydrophobicContact CD2-CB 4.33Å; W353-F357 HydrophobicContact CH2-CG 4.45Å; W353-F357 HydrophobicContact CZ2-CB 4.44Å; W353-F357 HydrophobicContact CZ2-CD2 4.11Å; W353-F357 HydrophobicContact CZ2-CG 4.18Å; W353-F357 WeakPolarHBondContact O-CA 3.41Å; W353-F357 WeakPolarHBondContact O-CB 3.39Å; W353-F357 PolarHBondContact O-N 3.46Å |
| 354 | F | 63.6 | Low | 58.8 | Low | 99 Ų | 99 | 71.8 Ų | 71.8 | 43% | 0.434 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 174.8 | -167.8 | -94.7 | 0 | 0 | 0 | 110.3 | I350 F351 S356 T358 | I350-F354 WeakPolarHBondContact O-CB 3.35Å; I350-F354 PolarHBondContact O-N 3.44Å; F351-F354 PolarHBondContact O-N 2.93Å; F354-S356 VanDerWaalsContact C-N 3.35Å; F354-T358 HydrophobicContact CD1-CG2 3.92Å; F354-T358 HydrophobicContact CE1-CG2 3.68Å; F354-T358 HydrophobicContact CE2-CG2 4.42Å; F354-T358 HydrophobicContact CG-CG2 4.4Å; F354-T358 HydrophobicContact CZ-CG2 3.95Å; F354-T358 WeakPolarHBondContact O-CA 3.2Å; F354-T358 WeakPolarHBondContact O-CB 3.28Å; F354-T358 WeakPolarHBondContact O-CG2 3.45Å; F354-T358 PolarHBondContact O-N 3.42Å; F354-T358 PolarHBondContact O-OG1 3.27Å |
| 355 | I | 61.3 | Low | 57.3 | Low | 48 Ų | 48 | 79.4 Ų | 79.4 | 25% | 0.246 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.1 | -36.7 | 173.6 | -70.2 | 166 | 0 | 0 | 0 | 110.9 | V288 F351 V352 T358 M359 | V288-I355 HydrophobicContact CG1-CD1 3.97Å; F351-I355 WeakPolarHBondContact O-CB 3.38Å; F351-I355 VanDerWaalsContact O-CG1 3.22Å; F351-I355 WeakPolarHBondContact O-CG1 3.39Å; F351-I355 PolarHBondContact O-N 3.44Å; V352-I355 CarbonylContact O-C 3.53Å; V352-I355 PolarHBondContact O-N 3.38Å; I355-T358 WeakPolarHBondContact CA-OG1 3.26Å; I355-T358 PolarHBondContact O-OG1 3.33Å; I355-M359 WeakPolarHBondContact O-CA 3.41Å; I355-M359 WeakPolarHBondContact O-CB 3.45Å; I355-M359 WeakPolarHBondContact O-CG 3.39Å; I355-M359 PolarHBondContact O-N 3.08Å |
| 356 | S | 53.3 | Low | 55.6 | Low | 57 Ų | 57 | 79.4 Ų | 79.4 | 40% | 0.399 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -83.7 | -32.1 | -178.3 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | V352 W353 F354 S360 | V352-S356 WeakPolarHBondContact O-CA 3.27Å; V352-S356 WeakPolarHBondContact O-CB 3.23Å; V352-S356 PolarHBondContact O-N 2.95Å; V352-S356 PolarHBondContact O-OG 3.29Å; W353-S356 CarbonylContact O-C 3.58Å; W353-S356 PolarHBondContact O-N 3.15Å; F354-S356 VanDerWaalsContact C-N 3.35Å; S356-S360 WeakPolarHBondContact O-CA 3.46Å; S356-S360 WeakPolarHBondContact O-CB 3.42Å; S356-S360 PolarHBondContact O-N 3.43Å |
| 357 | F | 53.9 | Low | 54 | Low | 96 Ų | 96 | 78.8 Ų | 78.8 | 42% | 0.421 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -80.5 | -39.6 | 174.5 | -172.7 | -96.5 | 0 | 0 | 0 | 109.6 | W353 F361 | W353-F357 HydrophobicContact CD2-CB 4.33Å; W353-F357 HydrophobicContact CH2-CG 4.45Å; W353-F357 HydrophobicContact CZ2-CB 4.44Å; W353-F357 HydrophobicContact CZ2-CD2 4.11Å; W353-F357 HydrophobicContact CZ2-CG 4.18Å; W353-F357 WeakPolarHBondContact O-CA 3.41Å; W353-F357 WeakPolarHBondContact O-CB 3.39Å; W353-F357 PolarHBondContact O-N 3.46Å; F357-F361 HydrophobicContact CE1-CD2 4.4Å; F357-F361 HydrophobicContact CE1-CG 4.44Å; F357-F361 HydrophobicContact CE2-CD2 4.01Å; F357-F361 HydrophobicContact CE2-CE2 4.49Å; F357-F361 AromaticContact CZ-CD2 3.81Å; F357-F361 HydrophobicContact CZ-CD2 3.81Å; F357-F361 HydrophobicContact CZ-CE2 4.14Å; F357-F361 HydrophobicContact CZ-CG 4.3Å; F357-F361 WeakPolarHBondContact O-CA 3.41Å; F357-F361 WeakPolarHBondContact O-CB 3.44Å; F357-F361 PolarHBondContact O-N 3.1Å |
| 358 | T | 52.3 | Low | 52.5 | Low | 35 Ų | 35 | 78.4 Ų | 78.4 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.8 | -66.5 | 160.9 | 60 | 0 | 0 | 0 | 0 | 107.8 | F354 I355 S360 F361 Q362 | F354-T358 HydrophobicContact CD1-CG2 3.92Å; F354-T358 HydrophobicContact CE1-CG2 3.68Å; F354-T358 HydrophobicContact CE2-CG2 4.42Å; F354-T358 HydrophobicContact CG-CG2 4.4Å; F354-T358 HydrophobicContact CZ-CG2 3.95Å; F354-T358 WeakPolarHBondContact O-CA 3.2Å; F354-T358 WeakPolarHBondContact O-CB 3.28Å; F354-T358 WeakPolarHBondContact O-CG2 3.45Å; F354-T358 PolarHBondContact O-N 3.42Å; F354-T358 PolarHBondContact O-OG1 3.27Å; I355-T358 WeakPolarHBondContact CA-OG1 3.26Å; I355-T358 PolarHBondContact O-OG1 3.33Å; T358-S360 VanDerWaalsContact C-N 3.32Å; T358-S360 PolarHBondContact O-N 3.26Å; T358-F361 CarbonylContact O-C 3.59Å; T358-F361 PolarHBondContact O-N 2.85Å; T358-Q362 VanDerWaalsContact C-CB 3.43Å; T358-Q362 VanDerWaalsContact O-CA 3.23Å; T358-Q362 WeakPolarHBondContact O-CA 3.4Å; T358-Q362 WeakPolarHBondContact O-CB 3.45Å; T358-Q362 PolarHBondContact O-N 3.26Å |
| 359 | M | 41.9 | Very low | 50.7 | Low | 81 Ų | 81 | 81.6 Ų | 81.6 | 40% | 0.399 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -46.2 | -43.7 | 177.8 | -93.2 | -167.9 | 72.1 | 0 | 0 | 115.3 | I355 N363 | I355-M359 WeakPolarHBondContact O-CA 3.41Å; I355-M359 WeakPolarHBondContact O-CB 3.45Å; I355-M359 WeakPolarHBondContact O-CG 3.39Å; I355-M359 PolarHBondContact O-N 3.08Å; M359-N363 WeakPolarHBondContact O-CA 3.44Å; M359-N363 WeakPolarHBondContact O-CB 3.34Å; M359-N363 PolarHBondContact O-N 2.93Å; M359-N363 PolarHBondContact O-ND2 2.87Å |
| 360 | S | 43.2 | Very low | 49.4 | Very low | 88 Ų | 88 | 79.3 Ų | 79.3 | 62% | 0.615 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -81.2 | -36.5 | -174.2 | -155.8 | 0 | 0 | 0 | 0 | 112 | S356 T358 | S356-S360 WeakPolarHBondContact O-CA 3.46Å; S356-S360 WeakPolarHBondContact O-CB 3.42Å; S356-S360 PolarHBondContact O-N 3.43Å; T358-S360 VanDerWaalsContact C-N 3.32Å; T358-S360 PolarHBondContact O-N 3.26Å |
| 361 | F | 40 | Very low | 48.2 | Very low | 134 Ų | 134 | 76.9 Ų | 76.9 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -79 | -23.1 | 170.5 | -136.1 | -96.3 | 0 | 0 | 0 | 111.8 | F357 T358 W365 | F357-F361 HydrophobicContact CE1-CD2 4.4Å; F357-F361 HydrophobicContact CE1-CG 4.44Å; F357-F361 HydrophobicContact CE2-CD2 4.01Å; F357-F361 HydrophobicContact CE2-CE2 4.49Å; F357-F361 AromaticContact CZ-CD2 3.81Å; F357-F361 HydrophobicContact CZ-CD2 3.81Å; F357-F361 HydrophobicContact CZ-CE2 4.14Å; F357-F361 HydrophobicContact CZ-CG 4.3Å; F357-F361 WeakPolarHBondContact O-CA 3.41Å; F357-F361 WeakPolarHBondContact O-CB 3.44Å; F357-F361 PolarHBondContact O-N 3.1Å; T358-F361 CarbonylContact O-C 3.59Å; T358-F361 PolarHBondContact O-N 2.85Å; F361-W365 WeakPolarHBondContact O-CA 3.34Å; F361-W365 WeakPolarHBondContact O-CB 3.34Å; F361-W365 PolarHBondContact O-N 3.33Å |
| 362 | Q | 44.3 | Very low | 46.8 | Very low | 38 Ų | 38 | 82.8 Ų | 82.8 | 18% | 0.178 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -86.1 | -32.1 | 177.9 | -174.3 | 76 | 6 | 0 | 0 | 111.7 | T358 S364 W365 C366 L367 A368 | T358-Q362 VanDerWaalsContact C-CB 3.43Å; T358-Q362 VanDerWaalsContact O-CA 3.23Å; T358-Q362 WeakPolarHBondContact O-CA 3.4Å; T358-Q362 WeakPolarHBondContact O-CB 3.45Å; T358-Q362 PolarHBondContact O-N 3.26Å; Q362-S364 PolarHBondContact O-N 3.39Å; Q362-S364 VanDerWaalsContact O-N 3.14Å; Q362-W365 PolarHBondContact O-N 3.46Å; Q362-C366 VanDerWaalsContact CD-C 3.45Å; Q362-C366 PolarHBondContact NE2-SG 3.38Å; Q362-L367 VanDerWaalsContact CD-N 3.3Å; Q362-L367 HydrophobicContact CG-CB 3.98Å; Q362-L367 HydrophobicContact CG-CD1 4.39Å; Q362-L367 VanDerWaalsContact NE2-N 3.12Å; Q362-L367 VanDerWaalsContact O-CA 3.3Å; Q362-L367 WeakPolarHBondContact O-CA 3.41Å; Q362-L367 WeakPolarHBondContact O-CB 3.39Å; Q362-L367 PolarHBondContact O-N 2.95Å; Q362-A368 PolarHBondContact O-N 2.7Å |
| 363 | N | 43.8 | Very low | 45.7 | Very low | 93 Ų | 93 | 81.8 Ų | 81.8 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.6 | 169.5 | -86.2 | -40.1 | 0 | 0 | 0 | 109.8 | M359 | M359-N363 WeakPolarHBondContact O-CA 3.44Å; M359-N363 WeakPolarHBondContact O-CB 3.34Å; M359-N363 PolarHBondContact O-N 2.93Å; M359-N363 PolarHBondContact O-ND2 2.87Å |
| 364 | S | 40.7 | Very low | 44.7 | Very low | 91 Ų | 91 | 77.9 Ų | 77.9 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -27.9 | 172.2 | -159.6 | 0 | 0 | 0 | 0 | 115.8 | Q362 A368 | Q362-S364 PolarHBondContact O-N 3.39Å; Q362-S364 VanDerWaalsContact O-N 3.14Å; S364-A368 WeakPolarHBondContact O-CB 3Å |
| 365 | W | 38.2 | Very low | 43.5 | Very low | 175 Ų | 175 | 82.1 Ų | 82.1 | 66% | 0.663 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -72.7 | -173.1 | -153.8 | -100.8 | 0 | 0 | 0 | 113.6 | F361 Q362 Q369 | F361-W365 WeakPolarHBondContact O-CA 3.34Å; F361-W365 WeakPolarHBondContact O-CB 3.34Å; F361-W365 PolarHBondContact O-N 3.33Å; Q362-W365 PolarHBondContact O-N 3.46Å; W365-Q369 WeakPolarHBondContact O-CB 3Å; W365-Q369 PolarHBondContact O-N 3.44Å; W365-Q369 PolarHBondContact O-OE1 3.22Å |
| 366 | C | 35.5 | Very low | 42.5 | Very low | 50 Ų | 50 | 87.2 Ų | 87.2 | 34% | 0.338 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -96 | -17.6 | -173.9 | 164.6 | 0 | 0 | 0 | 0 | 116.4 | Q362 T370 | Q362-C366 VanDerWaalsContact CD-C 3.45Å; Q362-C366 PolarHBondContact NE2-SG 3.38Å; C366-T370 WeakPolarHBondContact O-CB 3.1Å; C366-T370 PolarHBondContact O-N 2.91Å; C366-T370 PolarHBondContact O-OG1 3.44Å |
| 367 | L | 40.9 | Very low | 42.3 | Very low | 62 Ų | 62 | 88.1 Ų | 88.1 | 33% | 0.325 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -74.7 | -35.2 | 162.2 | -141.2 | 103.7 | 0 | 0 | 0 | 109.8 | Q362 T370 M371 | Q362-L367 VanDerWaalsContact CD-N 3.3Å; Q362-L367 HydrophobicContact CG-CB 3.98Å; Q362-L367 HydrophobicContact CG-CD1 4.39Å; Q362-L367 VanDerWaalsContact NE2-N 3.12Å; Q362-L367 VanDerWaalsContact O-CA 3.3Å; Q362-L367 WeakPolarHBondContact O-CA 3.41Å; Q362-L367 WeakPolarHBondContact O-CB 3.39Å; Q362-L367 PolarHBondContact O-N 2.95Å; L367-T370 WeakPolarHBondContact CA-OG1 3.36Å; L367-T370 PolarHBondContact O-OG1 2.97Å; L367-M371 HydrophobicContact CD2-CE 3.85Å; L367-M371 HydrophobicContact CD2-CG 3.85Å; L367-M371 HydrophobicContact CG-CG 4.15Å; L367-M371 WeakPolarHBondContact O-CA 3.44Å; L367-M371 WeakPolarHBondContact O-CB 3.31Å; L367-M371 WeakPolarHBondContact O-CG 3.47Å; L367-M371 PolarHBondContact O-N 3.33Å |
| 368 | A | 39.9 | Very low | 41.8 | Very low | 28 Ų | 28 | 92.8 Ų | 92.8 | 23% | 0.231 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q362 S364 K372 | Q362-A368 PolarHBondContact O-N 2.7Å; S364-A368 WeakPolarHBondContact O-CB 3Å; A368-K372 WeakPolarHBondContact O-CB 3.3Å; A368-K372 WeakPolarHBondContact O-CG 3.22Å; A368-K372 PolarHBondContact O-N 2.97Å |
| 369 | Q | 35.8 | Very low | 41.8 | Very low | 107 Ų | 107 | 93.4 Ų | 93.4 | 50% | 0.5 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.4 | -45.1 | 170.7 | -96.8 | 156.2 | -27.2 | 0 | 0 | 112.4 | W365 K372 T373 | W365-Q369 WeakPolarHBondContact O-CB 3Å; W365-Q369 PolarHBondContact O-N 3.44Å; W365-Q369 PolarHBondContact O-OE1 3.22Å; Q369-K372 PolarHBondContact O-N 3.42Å; Q369-T373 PolarHBondContact O-N 2.87Å; Q369-T373 PolarHBondContact O-OG1 3.4Å |
| 370 | T | 41.1 | Very low | 42.2 | Very low | 29 Ų | 29 | 94.6 Ų | 94.6 | 18% | 0.178 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -69.8 | -33.7 | 175.3 | 41 | 0 | 0 | 0 | 0 | 114.4 | V298 C366 L367 L374 | V298-T370 HydrophobicContact CB-CG2 4.44Å; V298-T370 HydrophobicContact CG1-CG2 4.22Å; V298-T370 HydrophobicContact CG2-CG2 3.34Å; C366-T370 WeakPolarHBondContact O-CB 3.1Å; C366-T370 PolarHBondContact O-N 2.91Å; C366-T370 PolarHBondContact O-OG1 3.44Å; L367-T370 WeakPolarHBondContact CA-OG1 3.36Å; L367-T370 PolarHBondContact O-OG1 2.97Å; T370-L374 WeakPolarHBondContact O-CB 3.16Å; T370-L374 WeakPolarHBondContact O-CD1 3.3Å; T370-L374 WeakPolarHBondContact O-CG 3.1Å; T370-L374 PolarHBondContact O-N 3.39Å |
| 371 | M | 44.8 | Very low | 42.7 | Very low | 45 Ų | 45 | 95.5 Ų | 95.5 | 22% | 0.222 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -72.8 | -30 | 171.7 | -74 | -84.2 | 173.5 | 0 | 0 | 112.1 | L367 R375 F383 | L367-M371 HydrophobicContact CD2-CE 3.85Å; L367-M371 HydrophobicContact CD2-CG 3.85Å; L367-M371 HydrophobicContact CG-CG 4.15Å; L367-M371 WeakPolarHBondContact O-CA 3.44Å; L367-M371 WeakPolarHBondContact O-CB 3.31Å; L367-M371 WeakPolarHBondContact O-CG 3.47Å; L367-M371 PolarHBondContact O-N 3.33Å; M371-R375 WeakPolarHBondContact O-CA 3.22Å; M371-R375 WeakPolarHBondContact O-CB 3.49Å; M371-R375 WeakPolarHBondContact O-CG 3.36Å; M371-R375 PolarHBondContact O-N 2.87Å; M371-F383 HydrophobicContact SD-CD2 3.92Å; M371-F383 HydrophobicContact SD-CE2 3.73Å |
| 372 | K | 40.1 | Very low | 43.3 | Very low | 143 Ų | 143 | 93 Ų | 93 | 62% | 0.622 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -70.5 | -44 | 169.7 | -81.2 | 177 | 176.5 | -173.1 | 0 | 110.9 | A368 Q369 L374 R375 L376 | A368-K372 WeakPolarHBondContact O-CB 3.3Å; A368-K372 WeakPolarHBondContact O-CG 3.22Å; A368-K372 PolarHBondContact O-N 2.97Å; Q369-K372 PolarHBondContact O-N 3.42Å; K372-L374 VanDerWaalsContact C-N 3.31Å; K372-L374 PolarHBondContact O-N 2.92Å; K372-R375 PolarHBondContact O-N 3.28Å; K372-L376 PolarHBondContact O-N 3.44Å; K372-L376 VanDerWaalsContact O-N 3.16Å |
| 373 | T | 40.9 | Very low | 43.6 | Very low | 64 Ų | 64 | 96 Ų | 96 | 39% | 0.393 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.9 | -28.5 | 173.4 | -44.1 | 0 | 0 | 0 | 0 | 112.6 | Q369 R377 | Q369-T373 PolarHBondContact O-N 2.87Å; Q369-T373 PolarHBondContact O-OG1 3.4Å; T373-R377 WeakPolarHBondContact O-CG 3.48Å |
| 374 | L | 42.6 | Very low | 44.2 | Very low | 72 Ų | 72 | 94.2 Ų | 94.2 | 38% | 0.377 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -86.8 | -26.5 | 173.4 | -71.5 | 168.4 | 0 | 0 | 0 | 113.9 | T370 K372 L376 R377 | T370-L374 WeakPolarHBondContact O-CB 3.16Å; T370-L374 WeakPolarHBondContact O-CD1 3.3Å; T370-L374 WeakPolarHBondContact O-CG 3.1Å; T370-L374 PolarHBondContact O-N 3.39Å; K372-L374 VanDerWaalsContact C-N 3.31Å; K372-L374 PolarHBondContact O-N 2.92Å; L374-L376 VanDerWaalsContact C-N 3.29Å; L374-R377 PolarHBondContact O-N 3.32Å; L374-R377 VanDerWaalsContact O-N 3.1Å |
| 375 | R | 39.3 | Very low | 45 | Very low | 189 Ų | 189 | 93.1 Ų | 93.1 | 71% | 0.713 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.5 | -35.2 | 169.5 | -98.6 | -177.4 | 177.6 | 170.9 | 0.2 | 111.3 | M371 K372 R377 | M371-R375 WeakPolarHBondContact O-CA 3.22Å; M371-R375 WeakPolarHBondContact O-CB 3.49Å; M371-R375 WeakPolarHBondContact O-CG 3.36Å; M371-R375 PolarHBondContact O-N 2.87Å; K372-R375 PolarHBondContact O-N 3.28Å; R375-R377 PolarHBondContact O-N 3.47Å |
| 376 | L | 40.4 | Very low | 46.1 | Very low | 155 Ų | 155 | 87.7 Ų | 87.7 | 81% | 0.812 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -15.3 | 172 | -76.8 | 163.3 | 0 | 0 | 0 | 113.3 | K372 L374 | K372-L376 PolarHBondContact O-N 3.44Å; K372-L376 VanDerWaalsContact O-N 3.16Å; L374-L376 VanDerWaalsContact C-N 3.29Å |
| 377 | R | 47.7 | Very low | 47.6 | Very low | 75 Ų | 75 | 93.2 Ų | 93.2 | 28% | 0.283 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 3.7 | -176.9 | -71.3 | -172.3 | -165.9 | -170.1 | 1.6 | 116.2 | T373 L374 R375 N379 M457 | T373-R377 WeakPolarHBondContact O-CG 3.48Å; L374-R377 PolarHBondContact O-N 3.32Å; L374-R377 VanDerWaalsContact O-N 3.1Å; R375-R377 PolarHBondContact O-N 3.47Å; R377-N379 PolarHBondContact O-N 2.77Å; R377-M457 HydrophobicContact CG-CE 4.49Å |
| 378 | K | 44.6 | Very low | 48.9 | Very low | 195 Ų | 195 | 95.5 Ų | 95.5 | 85% | 0.848 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 34 | 168.5 | -126.9 | -179.9 | -169.3 | 176 | 0 | 116.3 | ||
| 379 | N | 51.2 | Low | 50.3 | Low | 47 Ų | 47 | 95.7 Ų | 95.7 | 25% | 0.251 | 46% | 0.455 | S | S | . | . | trans | -103.4 | 81.8 | 172.8 | -165.3 | -6.5 | 0 | 0 | 0 | 110.4 | R377 V381 K382 F383 Y454 | R377-N379 PolarHBondContact O-N 2.77Å; N379-V381 PolarHBondContact O-N 3.14Å; N379-V381 VanDerWaalsContact O-N 3.16Å; N379-K382 PolarHBondContact O-N 3.35Å; N379-F383 PolarHBondContact O-N 3.38Å; N379-Y454 PolarHBondContact ND2-OH 3.37Å | ||
| 380 | T | 50 | Low | 52 | Low | 107 Ų | 107 | 92.7 Ų | 92.7 | 66% | 0.656 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58 | -27 | -175.1 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | S384 | T380-S384 PolarHBondContact O-N 3.29Å |
| 381 | V | 54.3 | Low | 53.6 | Low | 106 Ų | 106 | 95.2 Ų | 95.2 | 64% | 0.642 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -71.1 | -40.6 | 179.6 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | N379 L385 | N379-V381 PolarHBondContact O-N 3.14Å; N379-V381 VanDerWaalsContact O-N 3.16Å; V381-L385 WeakPolarHBondContact O-CB 3.49Å; V381-L385 PolarHBondContact O-N 3.3Å |
| 382 | K | 52.7 | Low | 55.1 | Low | 81 Ų | 81 | 95.7 Ų | 95.7 | 35% | 0.352 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73 | -27.8 | 177.4 | -71.6 | -172.8 | 174.6 | -174.4 | 0 | 112.8 | N379 Y386 | N379-K382 PolarHBondContact O-N 3.35Å; K382-Y386 PolarHBondContact O-N 3.37Å |
| 383 | F | 49.9 | Very low | 56.7 | Low | 103 Ų | 103 | 91.5 Ų | 91.5 | 45% | 0.452 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -73.2 | -43.8 | 177.4 | -178.4 | -102.3 | 0 | 0 | 0 | 112.8 | M371 N379 L385 Y386 R387 | M371-F383 HydrophobicContact SD-CD2 3.92Å; M371-F383 HydrophobicContact SD-CE2 3.73Å; N379-F383 PolarHBondContact O-N 3.38Å; F383-L385 VanDerWaalsContact C-N 3.3Å; F383-L385 PolarHBondContact O-N 3.09Å; F383-Y386 PolarHBondContact O-N 3.35Å; F383-R387 PolarHBondContact O-N 2.97Å; F383-R387 VanDerWaalsContact O-N 3.15Å |
| 384 | S | 56.5 | Low | 58.5 | Low | 54 Ų | 54 | 92.6 Ų | 92.6 | 38% | 0.378 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 174.6 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | T380 Y386 R387 H388 | T380-S384 PolarHBondContact O-N 3.29Å; S384-Y386 PolarHBondContact O-N 3.22Å; S384-R387 WeakPolarHBondContact O-CB 3.14Å; S384-R387 PolarHBondContact O-N 3.41Å; S384-H388 PolarHBondContact O-CD2 2.86Å; S384-H388 PolarHBondContact O-N 2.81Å; S384-H388 PolarHBondContact OG-NE2 3.32Å |
| 385 | L | 59.2 | Low | 60.4 | Low | 69 Ų | 69 | 96.4 Ų | 96.4 | 36% | 0.361 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 178.8 | -174.1 | 127 | 0 | 0 | 0 | 113 | V381 F383 H388 F389 L444 | V381-L385 WeakPolarHBondContact O-CB 3.49Å; V381-L385 PolarHBondContact O-N 3.3Å; F383-L385 VanDerWaalsContact C-N 3.3Å; F383-L385 PolarHBondContact O-N 3.09Å; L385-H388 PolarHBondContact O-N 2.97Å; L385-F389 PolarHBondContact O-N 3.28Å; L385-L444 HydrophobicContact CD1-CD1 4.38Å; L385-L444 HydrophobicContact CD2-CD1 3.13Å; L385-L444 HydrophobicContact CD2-CG 3.6Å; L385-L444 HydrophobicContact CG-CD1 3.45Å; L385-L444 VanDerWaalsContact CG-CD1 3.45Å; L385-L444 HydrophobicContact CG-CG 4.38Å |
| 386 | Y | 61.2 | Low | 62.3 | Low | 60 Ų | 60 | 88.1 Ų | 88.1 | 24% | 0.235 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 173.2 | -98.4 | -91.2 | 0 | 0 | 0 | 113.2 | K382 F383 S384 H388 F389 T390 | K382-Y386 PolarHBondContact O-N 3.37Å; F383-Y386 PolarHBondContact O-N 3.35Å; S384-Y386 PolarHBondContact O-N 3.22Å; Y386-H388 VanDerWaalsContact C-N 3.35Å; Y386-F389 WeakPolarHBondContact O-CB 3.26Å; Y386-F389 PolarHBondContact O-N 2.79Å; Y386-T390 PolarHBondContact O-N 3.11Å; Y386-T390 PolarHBondContact O-OG1 3.22Å |
| 387 | R | 66.9 | Low | 64.2 | Low | 167 Ų | 167 | 84.7 Ų | 84.7 | 63% | 0.63 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 174.2 | -175.9 | 179.5 | 178 | -172 | -1.6 | 111.6 | F383 S384 N391 | F383-R387 PolarHBondContact O-N 2.97Å; F383-R387 VanDerWaalsContact O-N 3.15Å; S384-R387 WeakPolarHBondContact O-CB 3.14Å; S384-R387 PolarHBondContact O-N 3.41Å; R387-N391 WeakPolarHBondContact O-CB 3.32Å; R387-N391 PolarHBondContact O-N 2.87Å; R387-N391 PolarHBondContact O-OD1 2.85Å |
| 388 | H | 68.5 | Low | 65.8 | Low | 109 Ų | 109 | 86 Ų | 86 | 51% | 0.505 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 175.4 | -67.8 | -61.4 | 0 | 0 | 0 | 112 | S384 L385 Y386 N391 T392 | S384-H388 PolarHBondContact O-CD2 2.86Å; S384-H388 PolarHBondContact O-N 2.81Å; S384-H388 PolarHBondContact OG-NE2 3.32Å; L385-H388 PolarHBondContact O-N 2.97Å; Y386-H388 VanDerWaalsContact C-N 3.35Å; H388-N391 PolarHBondContact O-N 3.47Å; H388-T392 PolarHBondContact O-N 3.23Å; H388-T392 PolarHBondContact O-OG1 2.9Å |
| 389 | F | 69.3 | Low | 67.8 | Low | 32 Ų | 32 | 78.3 Ų | 78.3 | 14% | 0.14 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.3 | -51.4 | 174.8 | 177.3 | -111.2 | 0 | 0 | 0 | 113 | L385 Y386 N391 T392 L393 V440 I441 L444 | L385-F389 PolarHBondContact O-N 3.28Å; Y386-F389 WeakPolarHBondContact O-CB 3.26Å; Y386-F389 PolarHBondContact O-N 2.79Å; F389-N391 VanDerWaalsContact C-N 3.33Å; F389-N391 PolarHBondContact O-N 3.49Å; F389-T392 PolarHBondContact O-N 3.23Å; F389-L393 HydrophobicContact CD1-CD1 4.09Å; F389-L393 HydrophobicContact CE1-CD1 3.45Å; F389-L393 VanDerWaalsContact CE1-CD1 3.45Å; F389-L393 HydrophobicContact CE1-CG 4.33Å; F389-L393 HydrophobicContact CE2-CD1 4.08Å; F389-L393 HydrophobicContact CE2-CG 4.21Å; F389-L393 HydrophobicContact CZ-CD1 3.45Å; F389-L393 VanDerWaalsContact CZ-CD1 3.45Å; F389-L393 HydrophobicContact CZ-CG 4.09Å; F389-L393 PolarHBondContact O-N 3.31Å; F389-V440 HydrophobicContact CD2-CG1 3.9Å; F389-I441 HydrophobicContact CE2-CG1 4.06Å; F389-L444 HydrophobicContact CB-CD1 3.84Å; F389-L444 HydrophobicContact CB-CD2 4.04Å; F389-L444 HydrophobicContact CD1-CD2 4.2Å; F389-L444 HydrophobicContact CD2-CD1 4.49Å; F389-L444 HydrophobicContact CD2-CD2 3.71Å; F389-L444 HydrophobicContact CE2-CD2 4.16Å; F389-L444 HydrophobicContact CG-CD1 4.38Å; F389-L444 HydrophobicContact CG-CD2 3.71Å |
| 390 | T | 70.6 | Confident | 69.4 | Low | 45 Ų | 45 | 77.4 Ų | 77.4 | 28% | 0.276 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 178.9 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | Y386 T392 L393 I394 | Y386-T390 PolarHBondContact O-N 3.11Å; Y386-T390 PolarHBondContact O-OG1 3.22Å; T390-T392 VanDerWaalsContact C-N 3.34Å; T390-T392 PolarHBondContact O-N 3.44Å; T390-L393 PolarHBondContact O-N 3.46Å; T390-I394 HydrophobicContact CG2-CD1 3.97Å; T390-I394 HydrophobicContact CG2-CG1 4.49Å; T390-I394 WeakPolarHBondContact O-CD1 3.48Å; T390-I394 VanDerWaalsContact O-CG1 3.23Å; T390-I394 WeakPolarHBondContact O-CG1 3.24Å; T390-I394 PolarHBondContact O-N 3.39Å |
| 391 | N | 74.9 | Confident | 70.9 | Confident | 82 Ų | 82 | 76.8 Ų | 76.8 | 44% | 0.439 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 174.8 | -73.5 | 1.5 | 0 | 0 | 0 | 112.2 | R387 H388 F389 I394 F395 | R387-N391 WeakPolarHBondContact O-CB 3.32Å; R387-N391 PolarHBondContact O-N 2.87Å; R387-N391 PolarHBondContact O-OD1 2.85Å; H388-N391 PolarHBondContact O-N 3.47Å; F389-N391 VanDerWaalsContact C-N 3.33Å; F389-N391 PolarHBondContact O-N 3.49Å; N391-I394 PolarHBondContact O-N 2.74Å; N391-F395 PolarHBondContact O-N 2.85Å |
| 392 | T | 76.3 | Confident | 72.5 | Confident | 54 Ų | 54 | 76.8 Ų | 76.8 | 33% | 0.331 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 177.7 | -57.1 | 0 | 0 | 0 | 0 | 112 | H388 F389 T390 F395 A396 V440 | H388-T392 PolarHBondContact O-N 3.23Å; H388-T392 PolarHBondContact O-OG1 2.9Å; F389-T392 PolarHBondContact O-N 3.23Å; T390-T392 VanDerWaalsContact C-N 3.34Å; T390-T392 PolarHBondContact O-N 3.44Å; T392-F395 PolarHBondContact O-N 3.09Å; T392-A396 WeakPolarHBondContact O-CB 3.26Å; T392-A396 PolarHBondContact O-N 3.49Å; T392-V440 HydrophobicContact CG2-CG1 4.34Å; T392-V440 HydrophobicContact CG2-CG2 3.71Å |
| 393 | L | 74.2 | Confident | 74.1 | Confident | 55 Ų | 55 | 74.1 Ų | 74.1 | 29% | 0.288 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 173.5 | -74.9 | -178.1 | 0 | 0 | 0 | 112.1 | F389 T390 F395 A396 V397 I437 | F389-L393 HydrophobicContact CD1-CD1 4.09Å; F389-L393 HydrophobicContact CE1-CD1 3.45Å; F389-L393 VanDerWaalsContact CE1-CD1 3.45Å; F389-L393 HydrophobicContact CE1-CG 4.33Å; F389-L393 HydrophobicContact CE2-CD1 4.08Å; F389-L393 HydrophobicContact CE2-CG 4.21Å; F389-L393 HydrophobicContact CZ-CD1 3.45Å; F389-L393 VanDerWaalsContact CZ-CD1 3.45Å; F389-L393 HydrophobicContact CZ-CG 4.09Å; F389-L393 PolarHBondContact O-N 3.31Å; T390-L393 PolarHBondContact O-N 3.46Å; L393-F395 VanDerWaalsContact C-N 3.35Å; L393-F395 PolarHBondContact O-N 3.36Å; L393-A396 PolarHBondContact O-N 2.86Å; L393-V397 WeakPolarHBondContact O-CG2 3.49Å; L393-V397 PolarHBondContact O-N 3.04Å; L393-I437 HydrophobicContact CD2-CG2 4.29Å |
| 394 | I | 78.9 | Confident | 75.4 | Confident | 88 Ų | 88 | 74.7 Ų | 74.7 | 45% | 0.451 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 175.4 | -69.2 | 163.7 | 0 | 0 | 0 | 110.4 | T390 N391 A396 V397 L398 | T390-I394 HydrophobicContact CG2-CD1 3.97Å; T390-I394 HydrophobicContact CG2-CG1 4.49Å; T390-I394 WeakPolarHBondContact O-CD1 3.48Å; T390-I394 VanDerWaalsContact O-CG1 3.23Å; T390-I394 WeakPolarHBondContact O-CG1 3.24Å; T390-I394 PolarHBondContact O-N 3.39Å; N391-I394 PolarHBondContact O-N 2.74Å; I394-A396 VanDerWaalsContact C-N 3.34Å; I394-A396 PolarHBondContact O-N 3.25Å; I394-V397 PolarHBondContact O-N 2.9Å; I394-L398 HydrophobicContact CG2-CD1 4.21Å; I394-L398 WeakPolarHBondContact O-CG 3.26Å; I394-L398 PolarHBondContact O-N 3.37Å |
| 395 | F | 81.9 | Confident | 76.6 | Confident | 151 Ų | 151 | 76.1 Ų | 76.1 | 66% | 0.662 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.2 | -40.6 | 177.1 | -174.1 | -95.3 | 0 | 0 | 0 | 112.2 | N391 T392 L393 V397 L398 A399 | N391-F395 PolarHBondContact O-N 2.85Å; T392-F395 PolarHBondContact O-N 3.09Å; L393-F395 VanDerWaalsContact C-N 3.35Å; L393-F395 PolarHBondContact O-N 3.36Å; F395-V397 PolarHBondContact O-N 3.38Å; F395-L398 PolarHBondContact O-N 2.89Å; F395-A399 WeakPolarHBondContact O-CB 3.46Å; F395-A399 PolarHBondContact O-N 3.17Å |
| 396 | A | 79.1 | Confident | 77.8 | Confident | 15 Ų | 15 | 80.1 Ų | 80.1 | 12% | 0.124 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T392 L393 I394 A399 S400 I437 | T392-A396 WeakPolarHBondContact O-CB 3.26Å; T392-A396 PolarHBondContact O-N 3.49Å; L393-A396 PolarHBondContact O-N 2.86Å; I394-A396 VanDerWaalsContact C-N 3.34Å; I394-A396 PolarHBondContact O-N 3.25Å; A396-A399 PolarHBondContact O-N 3.16Å; A396-S400 PolarHBondContact O-N 3.21Å; A396-I437 HydrophobicContact CB-CD1 4.27Å; A396-I437 HydrophobicContact CB-CG1 4.35Å |
| 397 | V | 81.4 | Confident | 78.6 | Confident | 83 Ų | 83 | 78 Ų | 78 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | 175.3 | 173 | 0 | 0 | 0 | 0 | 111.6 | L393 I394 F395 S400 I401 | L393-V397 WeakPolarHBondContact O-CG2 3.49Å; L393-V397 PolarHBondContact O-N 3.04Å; I394-V397 PolarHBondContact O-N 2.9Å; F395-V397 PolarHBondContact O-N 3.38Å; V397-S400 PolarHBondContact O-N 2.93Å; V397-S400 PolarHBondContact O-OG 2.95Å; V397-I401 HydrophobicContact CG1-CD1 4.13Å; V397-I401 WeakPolarHBondContact O-CG1 3.26Å; V397-I401 PolarHBondContact O-N 3.43Å; V397-I401 VanDerWaalsContact O-N 3.15Å |
| 398 | L | 81.2 | Confident | 78.9 | Confident | 103 Ų | 103 | 72.2 Ų | 72.2 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 175 | -69.8 | 173.4 | 0 | 0 | 0 | 111.4 | I394 F395 S400 I401 V402 | I394-L398 HydrophobicContact CG2-CD1 4.21Å; I394-L398 WeakPolarHBondContact O-CG 3.26Å; I394-L398 PolarHBondContact O-N 3.37Å; F395-L398 PolarHBondContact O-N 2.89Å; L398-S400 VanDerWaalsContact C-N 3.34Å; L398-S400 PolarHBondContact O-N 3.31Å; L398-I401 PolarHBondContact O-N 3.47Å; L398-V402 WeakPolarHBondContact O-CG2 3.2Å; L398-V402 PolarHBondContact O-N 3.31Å |
| 399 | A | 85.8 | Confident | 79.2 | Confident | 34 Ų | 34 | 73.5 Ų | 73.5 | 28% | 0.281 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F395 A396 V402 F403 | F395-A399 WeakPolarHBondContact O-CB 3.46Å; F395-A399 PolarHBondContact O-N 3.17Å; A396-A399 PolarHBondContact O-N 3.16Å; A399-V402 PolarHBondContact O-N 3.06Å; A399-F403 WeakPolarHBondContact O-CB 3.44Å; A399-F403 PolarHBondContact O-N 3.1Å |
| 400 | S | 84.1 | Confident | 79.3 | Confident | 27 Ų | 27 | 73.1 Ų | 73.1 | 19% | 0.189 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.2 | -37.9 | 177.8 | 67.9 | 0 | 0 | 0 | 0 | 112.9 | A396 V397 L398 F403 M404 | A396-S400 PolarHBondContact O-N 3.21Å; V397-S400 PolarHBondContact O-N 2.93Å; V397-S400 PolarHBondContact O-OG 2.95Å; L398-S400 VanDerWaalsContact C-N 3.34Å; L398-S400 PolarHBondContact O-N 3.31Å; S400-F403 PolarHBondContact O-N 2.89Å; S400-M404 VanDerWaalsContact O-CB 3.29Å; S400-M404 WeakPolarHBondContact O-CB 3.32Å; S400-M404 PolarHBondContact O-N 3.17Å |
| 401 | I | 81.3 | Confident | 79.1 | Confident | 95 Ų | 95 | 72.6 Ų | 72.6 | 49% | 0.487 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 175.4 | -66.9 | 166.3 | 0 | 0 | 0 | 110.5 | V397 L398 F403 M404 V405 | V397-I401 HydrophobicContact CG1-CD1 4.13Å; V397-I401 WeakPolarHBondContact O-CG1 3.26Å; V397-I401 PolarHBondContact O-N 3.43Å; V397-I401 VanDerWaalsContact O-N 3.15Å; L398-I401 PolarHBondContact O-N 3.47Å; I401-F403 VanDerWaalsContact C-N 3.31Å; I401-F403 PolarHBondContact O-N 3.3Å; I401-M404 PolarHBondContact O-N 3.44Å; I401-V405 WeakPolarHBondContact O-CG2 3.5Å; I401-V405 PolarHBondContact O-N 3.16Å |
| 402 | V | 88.2 | Confident | 78.7 | Confident | 105 Ų | 105 | 79 Ų | 79 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.2 | -45.5 | 178.1 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | L398 A399 V405 W406 | L398-V402 WeakPolarHBondContact O-CG2 3.2Å; L398-V402 PolarHBondContact O-N 3.31Å; A399-V402 PolarHBondContact O-N 3.06Å; V402-V405 PolarHBondContact O-N 3.04Å; V402-W406 PolarHBondContact O-N 3.35Å |
| 403 | F | 85.8 | Confident | 78.3 | Confident | 26 Ų | 26 | 81.4 Ų | 81.4 | 11% | 0.114 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 177.8 | -171.5 | -99.9 | 0 | 0 | 0 | 112.2 | A399 S400 I401 V405 W406 T407 V425 F429 | A399-F403 WeakPolarHBondContact O-CB 3.44Å; A399-F403 PolarHBondContact O-N 3.1Å; S400-F403 PolarHBondContact O-N 2.89Å; I401-F403 VanDerWaalsContact C-N 3.31Å; I401-F403 PolarHBondContact O-N 3.3Å; F403-V405 VanDerWaalsContact C-N 3.3Å; F403-V405 PolarHBondContact O-N 3.41Å; F403-W406 WeakPolarHBondContact O-CB 3.48Å; F403-W406 PolarHBondContact O-N 3.35Å; F403-W406 VanDerWaalsContact O-N 3.13Å; F403-T407 HydrophobicContact CD1-CG2 3.8Å; F403-T407 HydrophobicContact CD2-CG2 4.49Å; F403-T407 HydrophobicContact CE1-CG2 3.35Å; F403-T407 HydrophobicContact CE2-CG2 4.1Å; F403-T407 HydrophobicContact CG-CG2 4.35Å; F403-T407 HydrophobicContact CZ-CG2 3.52Å; F403-T407 WeakPolarHBondContact O-CG2 3.48Å; F403-T407 PolarHBondContact O-N 2.83Å; F403-T407 PolarHBondContact O-OG1 2.89Å; F403-V425 HydrophobicContact CE2-CG1 4Å; F403-V425 HydrophobicContact CZ-CG1 4.15Å; F403-F429 HydrophobicContact CB-CD1 4.1Å; F403-F429 HydrophobicContact CB-CD2 4.32Å; F403-F429 HydrophobicContact CB-CE1 3.56Å; F403-F429 HydrophobicContact CB-CE2 3.82Å; F403-F429 HydrophobicContact CB-CG 4.45Å; F403-F429 HydrophobicContact CB-CZ 3.4Å; F403-F429 VanDerWaalsContact CB-CZ 3.4Å; F403-F429 HydrophobicContact CD1-CB 4.13Å; F403-F429 AromaticContact CD1-CD1 3.12Å; F403-F429 HydrophobicContact CD1-CD1 3.12Å; F403-F429 HydrophobicContact CD1-CD2 4.19Å; F403-F429 AromaticContact CD1-CE1 3.44Å; F403-F429 HydrophobicContact CD1-CE1 3.44Å; F403-F429 VanDerWaalsContact CD1-CE1 3.44Å; F403-F429 HydrophobicContact CD1-CE2 4.44Å; F403-F429 AromaticContact CD1-CG 3.55Å; F403-F429 HydrophobicContact CD1-CG 3.55Å; F403-F429 HydrophobicContact CD1-CZ 4.1Å; F403-F429 HydrophobicContact CD2-CB 4.26Å; F403-F429 HydrophobicContact CD2-CD1 4.09Å; F403-F429 AromaticContact CD2-CD2 3.59Å; F403-F429 HydrophobicContact CD2-CD2 3.59Å; F403-F429 HydrophobicContact CD2-CE1 4.35Å; F403-F429 AromaticContact CD2-CE2 3.88Å; F403-F429 HydrophobicContact CD2-CE2 3.88Å; F403-F429 AromaticContact CD2-CG 3.71Å; F403-F429 HydrophobicContact CD2-CG 3.71Å; F403-F429 HydrophobicContact CD2-CZ 4.25Å; F403-F429 HydrophobicContact CE1-CB 3.56Å; F403-F429 AromaticContact CE1-CD1 3.41Å; F403-F429 HydrophobicContact CE1-CD1 3.41Å; F403-F429 VanDerWaalsContact CE1-CD1 3.41Å; F403-F429 HydrophobicContact CE1-CD2 4.41Å; F403-F429 HydrophobicContact CE1-CE1 4.21Å; F403-F429 AromaticContact CE1-CG 3.53Å; F403-F429 HydrophobicContact CE1-CG 3.53Å; F403-F429 HydrophobicContact CE2-CB 3.74Å; F403-F429 HydrophobicContact CE2-CD1 4.33Å; F403-F429 AromaticContact CE2-CD2 3.87Å; F403-F429 HydrophobicContact CE2-CD2 3.87Å; F403-F429 AromaticContact CE2-CG 3.71Å; F403-F429 HydrophobicContact CE2-CG 3.71Å; F403-F429 HydrophobicContact CG-CB 4.44Å; F403-F429 AromaticContact CG-CD1 3.49Å; F403-F429 HydrophobicContact CG-CD1 3.49Å; F403-F429 VanDerWaalsContact CG-CD1 3.49Å; F403-F429 AromaticContact CG-CD2 3.77Å; F403-F429 HydrophobicContact CG-CD2 3.77Å; F403-F429 AromaticContact CG-CE1 3.51Å; F403-F429 HydrophobicContact CG-CE1 3.51Å; F403-F429 AromaticContact CG-CE2 3.79Å; F403-F429 HydrophobicContact CG-CE2 3.79Å; F403-F429 AromaticContact CG-CG 3.62Å; F403-F429 HydrophobicContact CG-CG 3.62Å; F403-F429 AromaticContact CG-CZ 3.66Å; F403-F429 HydrophobicContact CG-CZ 3.66Å; F403-F429 HydrophobicContact CZ-CB 3.35Å; F403-F429 HydrophobicContact CZ-CD1 4.03Å; F403-F429 HydrophobicContact CZ-CD2 4.27Å; F403-F429 AromaticContact CZ-CG 3.63Å; F403-F429 HydrophobicContact CZ-CG 3.63Å |
| 404 | M | 78.8 | Confident | 78 | Confident | 114 Ų | 114 | 80.3 Ų | 80.3 | 56% | 0.562 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.9 | -37.2 | 178 | -169.6 | -179.6 | -171.8 | 0 | 0 | 112.5 | S400 I401 T407 T408 | S400-M404 VanDerWaalsContact O-CB 3.29Å; S400-M404 WeakPolarHBondContact O-CB 3.32Å; S400-M404 PolarHBondContact O-N 3.17Å; I401-M404 PolarHBondContact O-N 3.44Å; M404-T407 PolarHBondContact O-OG1 2.88Å; M404-T408 VanDerWaalsContact O-CB 3.23Å; M404-T408 WeakPolarHBondContact O-CB 3.21Å; M404-T408 PolarHBondContact O-N 3.32Å; M404-T408 PolarHBondContact O-OG1 2.69Å |
| 405 | V | 80.5 | Confident | 77.5 | Confident | 85 Ų | 85 | 85.8 Ų | 85.8 | 52% | 0.515 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 174 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | I401 V402 F403 K409 | I401-V405 WeakPolarHBondContact O-CG2 3.5Å; I401-V405 PolarHBondContact O-N 3.16Å; V402-V405 PolarHBondContact O-N 3.04Å; F403-V405 VanDerWaalsContact C-N 3.3Å; F403-V405 PolarHBondContact O-N 3.41Å; V405-K409 HydrophobicContact CG1-CG 4.48Å; V405-K409 WeakPolarHBondContact O-CB 3.16Å; V405-K409 VanDerWaalsContact O-CG 3.23Å; V405-K409 WeakPolarHBondContact O-CG 3.23Å; V405-K409 PolarHBondContact O-N 2.62Å |
| 406 | W | 85.3 | Confident | 77 | Confident | 152 Ų | 152 | 80.9 Ų | 80.9 | 58% | 0.576 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -58.7 | -55.1 | 175.9 | 178.8 | -93 | 0 | 0 | 0 | 111.5 | V402 F403 T408 K409 T410 | V402-W406 PolarHBondContact O-N 3.35Å; F403-W406 WeakPolarHBondContact O-CB 3.48Å; F403-W406 PolarHBondContact O-N 3.35Å; F403-W406 VanDerWaalsContact O-N 3.13Å; W406-T408 VanDerWaalsContact C-N 3.32Å; W406-T408 PolarHBondContact O-N 2.74Å; W406-K409 PolarHBondContact O-N 3.42Å; W406-K409 VanDerWaalsContact O-N 3.08Å; W406-T410 PolarHBondContact O-N 3.47Å; W406-T410 PolarHBondContact O-OG1 3.01Å; W406-T410 VanDerWaalsContact O-OG1 3.11Å |
| 407 | T | 77.3 | Confident | 76.6 | Confident | 17 Ų | 17 | 81.3 Ų | 81.3 | 10% | 0.104 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.9 | -37.2 | -178.2 | 58.1 | 0 | 0 | 0 | 0 | 112.5 | F403 M404 F411 | F403-T407 HydrophobicContact CD1-CG2 3.8Å; F403-T407 HydrophobicContact CD2-CG2 4.49Å; F403-T407 HydrophobicContact CE1-CG2 3.35Å; F403-T407 HydrophobicContact CE2-CG2 4.1Å; F403-T407 HydrophobicContact CG-CG2 4.35Å; F403-T407 HydrophobicContact CZ-CG2 3.52Å; F403-T407 WeakPolarHBondContact O-CG2 3.48Å; F403-T407 PolarHBondContact O-N 2.83Å; F403-T407 PolarHBondContact O-OG1 2.89Å; M404-T407 PolarHBondContact O-OG1 2.88Å; T407-F411 HydrophobicContact CG2-CD2 4.41Å; T407-F411 HydrophobicContact CG2-CE2 4.45Å; T407-F411 WeakPolarHBondContact O-CB 3.41Å; T407-F411 PolarHBondContact O-N 3.49Å |
| 408 | T | 73.6 | Confident | 76.1 | Confident | 45 Ų | 45 | 80 Ų | 80 | 28% | 0.276 | 40% | 0.404 | S | S | . | . | I | π-helix | trans | -64.1 | -41.2 | 174.4 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | M404 W406 R412 I413 | M404-T408 VanDerWaalsContact O-CB 3.23Å; M404-T408 WeakPolarHBondContact O-CB 3.21Å; M404-T408 PolarHBondContact O-N 3.32Å; M404-T408 PolarHBondContact O-OG1 2.69Å; W406-T408 VanDerWaalsContact C-N 3.32Å; W406-T408 PolarHBondContact O-N 2.74Å; T408-R412 HydrophobicContact CG2-CB 4.33Å; T408-R412 WeakPolarHBondContact O-CB 3.48Å; T408-R412 PolarHBondContact O-N 3.38Å; T408-I413 HydrophobicContact CG2-CD1 4.03Å; T408-I413 HydrophobicContact CG2-CG1 4.47Å; T408-I413 PolarHBondContact O-N 3.36Å; T408-I413 VanDerWaalsContact O-N 3.17Å |
| 409 | K | 74.9 | Confident | 75.9 | Confident | 135 Ų | 135 | 79.2 Ų | 79.2 | 59% | 0.587 | 40% | 0.401 | S | S | * | . | I | π-helix | trans | -68.8 | -44.1 | 178.5 | -73.6 | -74.8 | -179 | 179.1 | 0 | 112.1 | V405 W406 I413 | V405-K409 HydrophobicContact CG1-CG 4.48Å; V405-K409 WeakPolarHBondContact O-CB 3.16Å; V405-K409 VanDerWaalsContact O-CG 3.23Å; V405-K409 WeakPolarHBondContact O-CG 3.23Å; V405-K409 PolarHBondContact O-N 2.62Å; W406-K409 PolarHBondContact O-N 3.42Å; W406-K409 VanDerWaalsContact O-N 3.08Å; K409-I413 HydrophobicContact CD-CD1 4.2Å |
| 410 | T | 70.8 | Confident | 75.6 | Confident | 25 Ų | 25 | 78.7 Ų | 78.7 | 15% | 0.153 | 39% | 0.391 | C | S | . | . | I | π-helix | trans | -79.1 | -41.3 | -174.1 | -54.1 | 0 | 0 | 0 | 0 | 112.7 | W406 A414 | W406-T410 PolarHBondContact O-N 3.47Å; W406-T410 PolarHBondContact O-OG1 3.01Å; W406-T410 VanDerWaalsContact O-OG1 3.11Å; T410-A414 WeakPolarHBondContact O-CB 3.38Å |
| 411 | F | 67.9 | Low | 75.4 | Confident | 34 Ų | 34 | 81.1 Ų | 81.1 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | I | π-helix | trans | -103.2 | -36 | -173.8 | -61.8 | -66.2 | 0 | 0 | 0 | 114.5 | T407 Q417 E422 L423 | T407-F411 HydrophobicContact CG2-CD2 4.41Å; T407-F411 HydrophobicContact CG2-CE2 4.45Å; T407-F411 WeakPolarHBondContact O-CB 3.41Å; T407-F411 PolarHBondContact O-N 3.49Å; F411-Q417 HydrophobicContact CD1-CG 4.18Å; F411-E422 HydrophobicContact CZ-CB 4.11Å; F411-L423 HydrophobicContact CD1-CD2 3.93Å; F411-L423 HydrophobicContact CE1-CD2 3.77Å; F411-L423 HydrophobicContact CE1-CG 4.04Å; F411-L423 HydrophobicContact CZ-CD2 4.31Å |
| 412 | R | 66.5 | Low | 75.4 | Confident | 216 Ų | 216 | 80.5 Ų | 80.5 | 82% | 0.815 | 40% | 0.396 | S | S | * | . | I | π-helix | trans | -91.2 | -30.3 | -174.8 | -68.7 | -173.1 | 173.7 | -120.3 | 0.2 | 114.7 | T408 | T408-R412 HydrophobicContact CG2-CB 4.33Å; T408-R412 WeakPolarHBondContact O-CB 3.48Å; T408-R412 PolarHBondContact O-N 3.38Å |
| 413 | I | 67.6 | Low | 74.9 | Confident | 104 Ų | 104 | 78.2 Ų | 78.2 | 53% | 0.533 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -103.4 | -17.9 | -173.5 | -62.6 | 170.2 | 0 | 0 | 0 | 111.8 | T408 K409 K415 | T408-I413 HydrophobicContact CG2-CD1 4.03Å; T408-I413 HydrophobicContact CG2-CG1 4.47Å; T408-I413 PolarHBondContact O-N 3.36Å; T408-I413 VanDerWaalsContact O-N 3.17Å; K409-I413 HydrophobicContact CD-CD1 4.2Å; I413-K415 PolarHBondContact O-N 3.44Å |
| 414 | A | 67.7 | Low | 74.9 | Confident | 33 Ų | 33 | 80.5 Ų | 80.5 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | trans | -66.9 | 127.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T410 C416 | T410-A414 WeakPolarHBondContact O-CB 3.38Å; A414-C416 PolarHBondContact O-N 3.14Å | ||
| 415 | K | 67.3 | Low | 75.2 | Confident | 203 Ų | 203 | 77.4 Ų | 77.4 | 88% | 0.883 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -62.1 | -35 | 175.5 | -69.7 | -177.8 | 178.1 | -179.6 | 0 | 111.8 | N85 I413 | N85-K415 PolarHBondContact ND2-O 2.96Å; I413-K415 PolarHBondContact O-N 3.44Å |
| 416 | C | 71.8 | Confident | 75.3 | Confident | 48 Ų | 48 | 76 Ų | 76 | 32% | 0.324 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -123.7 | 115.6 | 177 | 169 | 0 | 0 | 0 | 0 | 109.1 | C83 A414 S418 | C83-C416 WeakPolarHBondContact CA-SG 3.16Å; C83-C416 HydrophobicContact CB-CB 3.85Å; C83-C416 WeakPolarHBondContact CB-SG 3.47Å; C83-C416 WeakPolarHBondContact SG-CB 3.2Å; C83-C416 CovalentContact SG-SG 2.01Å; C83-C416 PolarHBondContact SG-SG 3.27Å; A414-C416 PolarHBondContact O-N 3.14Å; C416-S418 PolarHBondContact O-N 3.27Å |
| 417 | Q | 70 | Confident | 75.1 | Confident | 24 Ų | 24 | 72.3 Ų | 72.3 | 11% | 0.112 | 36% | 0.356 | C | S | . | . | trans | -84.1 | 86.1 | 172.2 | -177.5 | -179.3 | -14.4 | 0 | 0 | 109 | H84 F411 L423 | H84-Q417 HydrophobicContact CB-CB 4.04Å; H84-Q417 HydrophobicContact CB-CG 4.34Å; H84-Q417 PolarHBondContact N-O 2.95Å; F411-Q417 HydrophobicContact CD1-CG 4.18Å; Q417-L423 VanDerWaalsContact NE2-CD2 3.3Å | ||
| 418 | S | 72.6 | Confident | 75.7 | Confident | 54 Ų | 54 | 71.8 Ų | 71.8 | 38% | 0.378 | 35% | 0.354 | S | S | . | . | trans | -91.3 | -23.2 | 179.1 | -153.1 | 0 | 0 | 0 | 0 | 112.9 | T82 C416 W420 | T82-S418 WeakPolarHBondContact O-CA 3.38Å; T82-S418 WeakPolarHBondContact O-CB 3.34Å; T82-S418 PolarHBondContact O-OG 2.87Å; C416-S418 PolarHBondContact O-N 3.27Å; S418-W420 PolarHBondContact O-N 3.37Å | ||
| 419 | D | 77.1 | Confident | 76.4 | Confident | 87 Ų | 87 | 71.5 Ų | 71.5 | 47% | 0.465 | 35% | 0.349 | S | S | . | . | trans | -83.7 | 49.8 | -177.4 | -58.2 | -41.5 | 0 | 0 | 0 | 112.8 | M421 E422 | D419-M421 PolarHBondContact O-N 2.92Å; D419-E422 PolarHBondContact O-N 2.68Å | ||
| 420 | W | 77.6 | Confident | 76.9 | Confident | 23 Ų | 23 | 70.6 Ų | 70.6 | 9% | 0.087 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -62.9 | -25.5 | -179.5 | 57.9 | -97.1 | 0 | 0 | 0 | 113.7 | T50 D162 G163 F164 A197 S418 E422 L423 | T50-W420 HydrophobicContact CG2-CD2 3.77Å; T50-W420 HydrophobicContact CG2-CE3 3.46Å; T50-W420 VanDerWaalsContact CG2-CE3 3.46Å; T50-W420 HydrophobicContact CG2-CG 4.39Å; T50-W420 HydrophobicContact CG2-CH2 4.26Å; T50-W420 HydrophobicContact CG2-CZ3 3.73Å; D162-W420 HydrophobicContact CB-CH2 3.97Å; D162-W420 HydrophobicContact CB-CZ2 3.83Å; G163-W420 VanDerWaalsContact CA-CZ2 3.47Å; F164-W420 HydrophobicContact CD2-CB 4.41Å; F164-W420 AromaticContact CD2-CD1 3.92Å; F164-W420 HydrophobicContact CD2-CG 4.28Å; F164-W420 HydrophobicContact CE1-CB 4.07Å; F164-W420 HydrophobicContact CE2-CB 3.34Å; F164-W420 AromaticContact CE2-CD1 3.52Å; F164-W420 AromaticContact CE2-CG 3.61Å; F164-W420 HydrophobicContact CE2-CG 3.61Å; F164-W420 HydrophobicContact CZ-CB 3.13Å; F164-W420 AromaticContact CZ-CG 3.78Å; F164-W420 HydrophobicContact CZ-CG 3.78Å; A197-W420 HydrophobicContact CB-CH2 3.96Å; A197-W420 HydrophobicContact CB-CZ3 3.68Å; S418-W420 PolarHBondContact O-N 3.37Å; W420-E422 PolarHBondContact O-N 2.82Å; W420-L423 HydrophobicContact CB-CD1 4.34Å; W420-L423 WeakPolarHBondContact O-CB 3.46Å; W420-L423 PolarHBondContact O-N 2.89Å |
| 421 | M | 79.8 | Confident | 77.8 | Confident | 78 Ų | 78 | 70.2 Ų | 70.2 | 38% | 0.384 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -67 | -20.2 | 175.6 | -170.1 | 63.5 | 78 | 0 | 0 | 112.3 | P201 D419 W424 | P201-M421 HydrophobicContact CG-SD 4.32Å; D419-M421 PolarHBondContact O-N 2.92Å; M421-W424 PolarHBondContact O-NE1 3.32Å |
| 422 | E | 81.4 | Confident | 78.9 | Confident | 83 Ų | 83 | 74.1 Ų | 74.1 | 39% | 0.388 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -95.1 | -2.6 | 179.3 | -62.4 | -168.4 | 177.2 | 0 | 0 | 113.2 | F411 D419 W420 W424 V425 | F411-E422 HydrophobicContact CZ-CB 4.11Å; D419-E422 PolarHBondContact O-N 2.68Å; W420-E422 PolarHBondContact O-N 2.82Å; E422-W424 VanDerWaalsContact C-N 3.32Å; E422-W424 PolarHBondContact O-N 3.04Å; E422-V425 HydrophobicContact CB-CG2 4.42Å; E422-V425 WeakPolarHBondContact O-CB 3.46Å; E422-V425 VanDerWaalsContact O-CG2 3.31Å; E422-V425 WeakPolarHBondContact O-CG2 3.15Å; E422-V425 PolarHBondContact O-N 3.02Å |
| 423 | L | 78.8 | Confident | 80 | Confident | 57 Ų | 57 | 65.2 Ų | 65.2 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -41.6 | -177 | -87.6 | 170.4 | 0 | 0 | 0 | 113.4 | F411 Q417 W420 V425 D426 | F411-L423 HydrophobicContact CD1-CD2 3.93Å; F411-L423 HydrophobicContact CE1-CD2 3.77Å; F411-L423 HydrophobicContact CE1-CG 4.04Å; F411-L423 HydrophobicContact CZ-CD2 4.31Å; Q417-L423 VanDerWaalsContact NE2-CD2 3.3Å; W420-L423 HydrophobicContact CB-CD1 4.34Å; W420-L423 WeakPolarHBondContact O-CB 3.46Å; W420-L423 PolarHBondContact O-N 2.89Å; L423-V425 PolarHBondContact O-N 2.95Å; L423-V425 VanDerWaalsContact O-N 3.1Å; L423-D426 PolarHBondContact O-N 3.18Å |
| 424 | W | 85 | Confident | 81.1 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 28% | 0.277 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.5 | -19 | 179.1 | 70.2 | -88.4 | 0 | 0 | 0 | 113.1 | P201 L202 F205 M421 E422 D426 D427 A428 | P201-W424 HydrophobicContact CB-CD2 3.79Å; P201-W424 HydrophobicContact CB-CE3 4.45Å; P201-W424 HydrophobicContact CB-CG 3.96Å; P201-W424 HydrophobicContact CB-CZ2 4.13Å; P201-W424 HydrophobicContact CG-CG 4.42Å; L202-W424 HydrophobicContact CB-CB 4.03Å; L202-W424 HydrophobicContact CD1-CB 4.26Å; F205-W424 HydrophobicContact CB-CZ3 4.33Å; F205-W424 HydrophobicContact CD2-CZ3 4.44Å; F205-W424 HydrophobicContact CG-CZ3 4.5Å; M421-W424 PolarHBondContact O-NE1 3.32Å; E422-W424 VanDerWaalsContact C-N 3.32Å; E422-W424 PolarHBondContact O-N 3.04Å; W424-D426 VanDerWaalsContact C-N 3.25Å; W424-D426 PolarHBondContact O-N 3.46Å; W424-D427 PolarHBondContact O-N 3.28Å; W424-A428 HydrophobicContact CE3-CB 3.67Å; W424-A428 HydrophobicContact CZ3-CB 3.7Å; W424-A428 VanDerWaalsContact O-CB 3.29Å; W424-A428 WeakPolarHBondContact O-CB 3.32Å; W424-A428 PolarHBondContact O-N 3.32Å |
| 425 | V | 86.2 | Confident | 82.2 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 30% | 0.303 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.8 | -30.9 | 179.7 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | F403 E422 L423 A428 F429 | F403-V425 HydrophobicContact CE2-CG1 4Å; F403-V425 HydrophobicContact CZ-CG1 4.15Å; E422-V425 HydrophobicContact CB-CG2 4.42Å; E422-V425 WeakPolarHBondContact O-CB 3.46Å; E422-V425 VanDerWaalsContact O-CG2 3.31Å; E422-V425 WeakPolarHBondContact O-CG2 3.15Å; E422-V425 PolarHBondContact O-N 3.02Å; L423-V425 PolarHBondContact O-N 2.95Å; L423-V425 VanDerWaalsContact O-N 3.1Å; V425-A428 PolarHBondContact O-N 3.48Å; V425-F429 WeakPolarHBondContact O-CB 3.31Å; V425-F429 PolarHBondContact O-N 2.85Å |
| 426 | D | 81.3 | Confident | 83.3 | Confident | 55 Ų | 55 | 54.1 Ų | 54.1 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.2 | -54.5 | 176.6 | -168.4 | 69.2 | 0 | 0 | 0 | 110.9 | L423 W424 A428 F429 W430 | L423-D426 PolarHBondContact O-N 3.18Å; W424-D426 VanDerWaalsContact C-N 3.25Å; W424-D426 PolarHBondContact O-N 3.46Å; D426-A428 VanDerWaalsContact C-N 3.34Å; D426-A428 PolarHBondContact O-N 3.03Å; D426-F429 PolarHBondContact O-N 3.26Å; D426-W430 PolarHBondContact O-N 3.16Å |
| 427 | D | 82.7 | Confident | 84 | Confident | 74 Ų | 74 | 53.9 Ų | 53.9 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 177.2 | -73.5 | -51 | 0 | 0 | 0 | 112.9 | L202 W424 S431 | L202-D427 HydrophobicContact CD1-CB 4.24Å; W424-D427 PolarHBondContact O-N 3.28Å; D427-S431 PolarHBondContact O-N 3.34Å; D427-S431 PolarHBondContact O-OG 3Å |
| 428 | A | 88.6 | Confident | 84.9 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 5% | 0.05 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.3 | -41.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F205 W424 V425 D426 W430 S431 F432 | F205-A428 HydrophobicContact CD1-CB 3.96Å; F205-A428 HydrophobicContact CD2-CB 3.96Å; F205-A428 HydrophobicContact CE1-CB 3.78Å; F205-A428 HydrophobicContact CE2-CB 3.77Å; F205-A428 HydrophobicContact CG-CB 4.05Å; F205-A428 HydrophobicContact CZ-CB 3.67Å; F205-A428 VanDerWaalsContact CZ-O 3.29Å; F205-A428 WeakPolarHBondContact CZ-O 3.33Å; W424-A428 HydrophobicContact CE3-CB 3.67Å; W424-A428 HydrophobicContact CZ3-CB 3.7Å; W424-A428 VanDerWaalsContact O-CB 3.29Å; W424-A428 WeakPolarHBondContact O-CB 3.32Å; W424-A428 PolarHBondContact O-N 3.32Å; V425-A428 PolarHBondContact O-N 3.48Å; D426-A428 VanDerWaalsContact C-N 3.34Å; D426-A428 PolarHBondContact O-N 3.03Å; A428-W430 PolarHBondContact O-N 3Å; A428-S431 PolarHBondContact O-N 3.28Å; A428-F432 VanDerWaalsContact O-CB 3.28Å; A428-F432 WeakPolarHBondContact O-CB 3.43Å; A428-F432 PolarHBondContact O-N 3.06Å |
| 429 | F | 88.1 | Confident | 85.6 | Confident | 39 Ų | 39 | 53 Ų | 53 | 17% | 0.171 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.7 | -48.7 | -179 | 173.8 | -96.1 | 0 | 0 | 0 | 111.8 | F403 V425 D426 S431 F432 L433 | F403-F429 HydrophobicContact CB-CD1 4.1Å; F403-F429 HydrophobicContact CB-CD2 4.32Å; F403-F429 HydrophobicContact CB-CE1 3.56Å; F403-F429 HydrophobicContact CB-CE2 3.82Å; F403-F429 HydrophobicContact CB-CG 4.45Å; F403-F429 HydrophobicContact CB-CZ 3.4Å; F403-F429 VanDerWaalsContact CB-CZ 3.4Å; F403-F429 HydrophobicContact CD1-CB 4.13Å; F403-F429 AromaticContact CD1-CD1 3.12Å; F403-F429 HydrophobicContact CD1-CD1 3.12Å; F403-F429 HydrophobicContact CD1-CD2 4.19Å; F403-F429 AromaticContact CD1-CE1 3.44Å; F403-F429 HydrophobicContact CD1-CE1 3.44Å; F403-F429 VanDerWaalsContact CD1-CE1 3.44Å; F403-F429 HydrophobicContact CD1-CE2 4.44Å; F403-F429 AromaticContact CD1-CG 3.55Å; F403-F429 HydrophobicContact CD1-CG 3.55Å; F403-F429 HydrophobicContact CD1-CZ 4.1Å; F403-F429 HydrophobicContact CD2-CB 4.26Å; F403-F429 HydrophobicContact CD2-CD1 4.09Å; F403-F429 AromaticContact CD2-CD2 3.59Å; F403-F429 HydrophobicContact CD2-CD2 3.59Å; F403-F429 HydrophobicContact CD2-CE1 4.35Å; F403-F429 AromaticContact CD2-CE2 3.88Å; F403-F429 HydrophobicContact CD2-CE2 3.88Å; F403-F429 AromaticContact CD2-CG 3.71Å; F403-F429 HydrophobicContact CD2-CG 3.71Å; F403-F429 HydrophobicContact CD2-CZ 4.25Å; F403-F429 HydrophobicContact CE1-CB 3.56Å; F403-F429 AromaticContact CE1-CD1 3.41Å; F403-F429 HydrophobicContact CE1-CD1 3.41Å; F403-F429 VanDerWaalsContact CE1-CD1 3.41Å; F403-F429 HydrophobicContact CE1-CD2 4.41Å; F403-F429 HydrophobicContact CE1-CE1 4.21Å; F403-F429 AromaticContact CE1-CG 3.53Å; F403-F429 HydrophobicContact CE1-CG 3.53Å; F403-F429 HydrophobicContact CE2-CB 3.74Å; F403-F429 HydrophobicContact CE2-CD1 4.33Å; F403-F429 AromaticContact CE2-CD2 3.87Å; F403-F429 HydrophobicContact CE2-CD2 3.87Å; F403-F429 AromaticContact CE2-CG 3.71Å; F403-F429 HydrophobicContact CE2-CG 3.71Å; F403-F429 HydrophobicContact CG-CB 4.44Å; F403-F429 AromaticContact CG-CD1 3.49Å; F403-F429 HydrophobicContact CG-CD1 3.49Å; F403-F429 VanDerWaalsContact CG-CD1 3.49Å; F403-F429 AromaticContact CG-CD2 3.77Å; F403-F429 HydrophobicContact CG-CD2 3.77Å; F403-F429 AromaticContact CG-CE1 3.51Å; F403-F429 HydrophobicContact CG-CE1 3.51Å; F403-F429 AromaticContact CG-CE2 3.79Å; F403-F429 HydrophobicContact CG-CE2 3.79Å; F403-F429 AromaticContact CG-CG 3.62Å; F403-F429 HydrophobicContact CG-CG 3.62Å; F403-F429 AromaticContact CG-CZ 3.66Å; F403-F429 HydrophobicContact CG-CZ 3.66Å; F403-F429 HydrophobicContact CZ-CB 3.35Å; F403-F429 HydrophobicContact CZ-CD1 4.03Å; F403-F429 HydrophobicContact CZ-CD2 4.27Å; F403-F429 AromaticContact CZ-CG 3.63Å; F403-F429 HydrophobicContact CZ-CG 3.63Å; V425-F429 WeakPolarHBondContact O-CB 3.31Å; V425-F429 PolarHBondContact O-N 2.85Å; D426-F429 PolarHBondContact O-N 3.26Å; F429-S431 VanDerWaalsContact C-N 3.34Å; F429-S431 PolarHBondContact O-N 3.36Å; F429-F432 PolarHBondContact O-N 3.48Å; F429-L433 HydrophobicContact CE1-CD1 3.93Å; F429-L433 HydrophobicContact CZ-CD1 3.76Å; F429-L433 WeakPolarHBondContact O-CB 3.38Å; F429-L433 PolarHBondContact O-N 2.8Å |
| 430 | W | 86.9 | Confident | 86 | Confident | 117 Ų | 117 | 50.4 Ų | 50.4 | 44% | 0.443 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.2 | -41.2 | 179.3 | -65.8 | 113 | 0 | 0 | 0 | 112.1 | D426 A428 F434 | D426-W430 PolarHBondContact O-N 3.16Å; A428-W430 PolarHBondContact O-N 3Å; W430-F434 WeakPolarHBondContact O-CB 3.11Å; W430-F434 PolarHBondContact O-N 3.34Å; W430-F434 VanDerWaalsContact O-N 3.11Å |
| 431 | S | 89.1 | Confident | 86.2 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 12% | 0.119 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 175.5 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | K249 D427 A428 F429 S435 | K249-S431 PolarHBondContact NZ-OG 3.24Å; D427-S431 PolarHBondContact O-N 3.34Å; D427-S431 PolarHBondContact O-OG 3Å; A428-S431 PolarHBondContact O-N 3.28Å; F429-S431 VanDerWaalsContact C-N 3.34Å; F429-S431 PolarHBondContact O-N 3.36Å; S431-S435 PolarHBondContact O-N 3.37Å |
| 432 | F | 91.4 | Very high | 86.5 | Confident | 115 Ų | 115 | 47.5 Ų | 47.5 | 50% | 0.504 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.8 | -47.1 | 178.6 | -179 | -103.9 | 0 | 0 | 0 | 111.9 | M209 A428 F429 F434 S435 V436 | M209-F432 HydrophobicContact CE-CB 4.4Å; M209-F432 HydrophobicContact CE-CD2 4.4Å; A428-F432 VanDerWaalsContact O-CB 3.28Å; A428-F432 WeakPolarHBondContact O-CB 3.43Å; A428-F432 PolarHBondContact O-N 3.06Å; F429-F432 PolarHBondContact O-N 3.48Å; F432-F434 VanDerWaalsContact C-N 3.3Å; F432-F434 PolarHBondContact O-N 3.39Å; F432-S435 WeakPolarHBondContact O-CA 3.12Å; F432-S435 WeakPolarHBondContact O-CB 3.46Å; F432-S435 PolarHBondContact O-N 3.45Å; F432-V436 HydrophobicContact CD1-CG2 4.21Å; F432-V436 HydrophobicContact CE1-CG2 3.78Å; F432-V436 HydrophobicContact CE2-CG2 4.29Å; F432-V436 HydrophobicContact CZ-CG2 3.82Å; F432-V436 WeakPolarHBondContact O-CG2 3.28Å; F432-V436 PolarHBondContact O-N 3.48Å |
| 433 | L | 89 | Confident | 86.5 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 15% | 0.152 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58 | -43.5 | 177.3 | -176.3 | 147.4 | 0 | 0 | 0 | 111.5 | F429 S435 V436 I437 | F429-L433 HydrophobicContact CE1-CD1 3.93Å; F429-L433 HydrophobicContact CZ-CD1 3.76Å; F429-L433 WeakPolarHBondContact O-CB 3.38Å; F429-L433 PolarHBondContact O-N 2.8Å; L433-S435 VanDerWaalsContact C-N 3.34Å; L433-S435 PolarHBondContact O-N 3.3Å; L433-V436 PolarHBondContact O-N 3.11Å; L433-I437 HydrophobicContact CD2-CD1 3.57Å; L433-I437 HydrophobicContact CD2-CG1 4.47Å; L433-I437 HydrophobicContact CG-CD1 4.45Å; L433-I437 WeakPolarHBondContact O-CG1 3.24Å; L433-I437 PolarHBondContact O-N 2.98Å |
| 434 | F | 89.8 | Confident | 86.3 | Confident | 50 Ų | 50 | 48 Ų | 48 | 22% | 0.219 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 174.5 | -178.5 | -89.6 | 0 | 0 | 0 | 112.2 | Y213 V241 K280 A284 W430 F432 V436 I437 L438 | Y213-F434 WeakPolarHBondContact OH-CD1 3.49Å; V241-F434 HydrophobicContact CG1-CE1 4.43Å; V241-F434 HydrophobicContact CG1-CZ 3.94Å; K280-F434 HydrophobicContact CD-CE1 4.12Å; K280-F434 HydrophobicContact CD-CZ 4.29Å; K280-F434 HydrophobicContact CG-CZ 4.49Å; A284-F434 HydrophobicContact CB-CE2 3.64Å; A284-F434 HydrophobicContact CB-CZ 3.9Å; W430-F434 WeakPolarHBondContact O-CB 3.11Å; W430-F434 PolarHBondContact O-N 3.34Å; W430-F434 VanDerWaalsContact O-N 3.11Å; F432-F434 VanDerWaalsContact C-N 3.3Å; F432-F434 PolarHBondContact O-N 3.39Å; F434-V436 PolarHBondContact O-N 3.38Å; F434-I437 PolarHBondContact O-N 3.4Å; F434-L438 HydrophobicContact CE1-CD1 3.89Å; F434-L438 HydrophobicContact CZ-CD1 4.36Å; F434-L438 WeakPolarHBondContact O-CB 3.47Å; F434-L438 PolarHBondContact O-N 2.91Å |
| 435 | S | 91.6 | Very high | 85.9 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 176.6 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | Y216 S431 F432 L433 L438 I439 | Y216-S435 WeakPolarHBondContact CE2-OG 3.46Å; Y216-S435 PolarHBondContact OH-OG 2.83Å; S431-S435 PolarHBondContact O-N 3.37Å; F432-S435 WeakPolarHBondContact O-CA 3.12Å; F432-S435 WeakPolarHBondContact O-CB 3.46Å; F432-S435 PolarHBondContact O-N 3.45Å; L433-S435 VanDerWaalsContact C-N 3.34Å; L433-S435 PolarHBondContact O-N 3.3Å; S435-L438 PolarHBondContact O-N 2.99Å; S435-I439 PolarHBondContact O-N 3.14Å |
| 436 | V | 89.9 | Confident | 85.7 | Confident | 56 Ų | 56 | 49.1 Ų | 49.1 | 34% | 0.339 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.7 | -40.3 | 176.3 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | F432 L433 F434 L438 I439 V440 | F432-V436 HydrophobicContact CD1-CG2 4.21Å; F432-V436 HydrophobicContact CE1-CG2 3.78Å; F432-V436 HydrophobicContact CE2-CG2 4.29Å; F432-V436 HydrophobicContact CZ-CG2 3.82Å; F432-V436 WeakPolarHBondContact O-CG2 3.28Å; F432-V436 PolarHBondContact O-N 3.48Å; L433-V436 PolarHBondContact O-N 3.11Å; F434-V436 PolarHBondContact O-N 3.38Å; V436-L438 VanDerWaalsContact C-N 3.35Å; V436-I439 WeakPolarHBondContact O-CG2 3.5Å; V436-V440 WeakPolarHBondContact O-CG2 3.31Å; V436-V440 PolarHBondContact O-N 2.99Å |
| 437 | I | 86.4 | Confident | 85.2 | Confident | 42 Ų | 42 | 46.7 Ų | 46.7 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.5 | -41.6 | 174.9 | -66.8 | 171.9 | 0 | 0 | 0 | 110.3 | L393 A396 L433 F434 I439 V440 I441 | L393-I437 HydrophobicContact CD2-CG2 4.29Å; A396-I437 HydrophobicContact CB-CD1 4.27Å; A396-I437 HydrophobicContact CB-CG1 4.35Å; L433-I437 HydrophobicContact CD2-CD1 3.57Å; L433-I437 HydrophobicContact CD2-CG1 4.47Å; L433-I437 HydrophobicContact CG-CD1 4.45Å; L433-I437 WeakPolarHBondContact O-CG1 3.24Å; L433-I437 PolarHBondContact O-N 2.98Å; F434-I437 PolarHBondContact O-N 3.4Å; I437-I439 PolarHBondContact O-N 3.39Å; I437-V440 PolarHBondContact O-N 3.24Å; I437-I441 HydrophobicContact CG2-CD1 3.8Å; I437-I441 HydrophobicContact CG2-CG1 4.38Å; I437-I441 WeakPolarHBondContact O-CG1 3.38Å; I437-I441 PolarHBondContact O-N 3.35Å |
| 438 | L | 89.1 | Confident | 84.5 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | -178.9 | -176.6 | 143 | 0 | 0 | 0 | 112.1 | Y213 Y216 V241 I242 F434 S435 V436 V440 I441 M442 | Y213-L438 HydrophobicContact CE1-CD1 4.39Å; Y216-L438 HydrophobicContact CD2-CD2 3.52Å; Y216-L438 HydrophobicContact CE2-CD2 3.89Å; Y216-L438 HydrophobicContact CG-CD2 4.42Å; V241-L438 HydrophobicContact CG1-CD1 3.89Å; I242-L438 HydrophobicContact CD1-CD2 4.49Å; I242-L438 HydrophobicContact CG1-CD1 4.13Å; I242-L438 HydrophobicContact CG1-CD2 3.93Å; I242-L438 HydrophobicContact CG1-CG 4.43Å; F434-L438 HydrophobicContact CE1-CD1 3.89Å; F434-L438 HydrophobicContact CZ-CD1 4.36Å; F434-L438 WeakPolarHBondContact O-CB 3.47Å; F434-L438 PolarHBondContact O-N 2.91Å; S435-L438 PolarHBondContact O-N 2.99Å; V436-L438 VanDerWaalsContact C-N 3.35Å; L438-V440 VanDerWaalsContact C-N 3.31Å; L438-V440 PolarHBondContact O-N 3.08Å; L438-I441 PolarHBondContact O-N 3.06Å; L438-M442 HydrophobicContact CD2-CG 4.12Å; L438-M442 HydrophobicContact CD2-SD 3.54Å; L438-M442 VanDerWaalsContact CD2-SD 3.54Å; L438-M442 WeakPolarHBondContact O-CG 3.34Å; L438-M442 PolarHBondContact O-N 3.34Å |
| 439 | I | 88.6 | Confident | 82.9 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.4 | -37 | 177.2 | -165 | -178.4 | 0 | 0 | 0 | 111.9 | Y216 S435 V436 I437 M442 F443 | Y216-I439 HydrophobicContact CE1-CB 4.17Å; Y216-I439 HydrophobicContact CE1-CD1 3.68Å; Y216-I439 HydrophobicContact CE1-CG1 3.92Å; Y216-I439 HydrophobicContact CE2-CB 4.25Å; S435-I439 PolarHBondContact O-N 3.14Å; V436-I439 WeakPolarHBondContact O-CG2 3.5Å; I437-I439 PolarHBondContact O-N 3.39Å; I439-M442 WeakPolarHBondContact O-CB 3.34Å; I439-M442 PolarHBondContact O-N 3.08Å; I439-F443 HydrophobicContact CD1-CE2 3.9Å; I439-F443 HydrophobicContact CG1-CD2 4.04Å; I439-F443 HydrophobicContact CG1-CE2 3.69Å; I439-F443 WeakPolarHBondContact O-CD2 3.38Å; I439-F443 PolarHBondContact O-N 2.94Å |
| 440 | V | 84.6 | Confident | 81.4 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 175 | 175 | 0 | 0 | 0 | 0 | 110.4 | F389 T392 V436 I437 L438 M442 F443 L444 | F389-V440 HydrophobicContact CD2-CG1 3.9Å; T392-V440 HydrophobicContact CG2-CG1 4.34Å; T392-V440 HydrophobicContact CG2-CG2 3.71Å; V436-V440 WeakPolarHBondContact O-CG2 3.31Å; V436-V440 PolarHBondContact O-N 2.99Å; I437-V440 PolarHBondContact O-N 3.24Å; L438-V440 VanDerWaalsContact C-N 3.31Å; L438-V440 PolarHBondContact O-N 3.08Å; V440-M442 VanDerWaalsContact C-N 3.31Å; V440-M442 PolarHBondContact O-N 3.22Å; V440-F443 PolarHBondContact O-N 3.49Å; V440-L444 WeakPolarHBondContact O-CB 3.23Å; V440-L444 PolarHBondContact O-N 2.9Å |
| 441 | I | 82.5 | Confident | 80.1 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 20% | 0.195 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 174.6 | -68.4 | 170.1 | 0 | 0 | 0 | 110.4 | I238 F389 I437 L438 F443 L444 W445 | I238-I441 HydrophobicContact CD1-CG2 4.09Å; I238-I441 HydrophobicContact CG1-CG2 4.49Å; F389-I441 HydrophobicContact CE2-CG1 4.06Å; I437-I441 HydrophobicContact CG2-CD1 3.8Å; I437-I441 HydrophobicContact CG2-CG1 4.38Å; I437-I441 WeakPolarHBondContact O-CG1 3.38Å; I437-I441 PolarHBondContact O-N 3.35Å; L438-I441 PolarHBondContact O-N 3.06Å; I441-F443 PolarHBondContact O-N 3.09Å; I441-L444 PolarHBondContact O-N 3.15Å; I441-W445 HydrophobicContact CG2-CG 4.44Å; I441-W445 WeakPolarHBondContact O-CB 3.11Å; I441-W445 VanDerWaalsContact O-CD1 3.31Å; I441-W445 PolarHBondContact O-N 3.45Å |
| 442 | M | 85.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 177.2 | -72.9 | 174.1 | 61.3 | 0 | 0 | 112.4 | Y216 L219 W220 W223 I242 L438 I439 V440 L444 R446 | Y216-M442 HydrophobicContact CD1-SD 4.42Å; Y216-M442 HydrophobicContact CD2-SD 4.18Å; Y216-M442 HydrophobicContact CG-CE 4.39Å; Y216-M442 HydrophobicContact CG-SD 3.91Å; Y216-M442 WeakPolarHBondContact O-CE 3.33Å; L219-M442 HydrophobicContact CD2-CE 4.22Å; W220-M442 HydrophobicContact CB-CE 4.08Å; W220-M442 HydrophobicContact CE3-CB 4.13Å; W220-M442 HydrophobicContact CE3-CE 4.14Å; W220-M442 HydrophobicContact CE3-CG 3.97Å; W220-M442 HydrophobicContact CZ3-CB 4.11Å; W220-M442 HydrophobicContact CZ3-CG 4.22Å; W223-M442 HydrophobicContact CZ3-CE 4.42Å; I242-M442 HydrophobicContact CD1-CE 4.23Å; I242-M442 HydrophobicContact CD1-CG 3.99Å; I242-M442 HydrophobicContact CD1-SD 3.77Å; I242-M442 HydrophobicContact CG1-SD 4.47Å; L438-M442 HydrophobicContact CD2-CG 4.12Å; L438-M442 HydrophobicContact CD2-SD 3.54Å; L438-M442 VanDerWaalsContact CD2-SD 3.54Å; L438-M442 WeakPolarHBondContact O-CG 3.34Å; L438-M442 PolarHBondContact O-N 3.34Å; I439-M442 WeakPolarHBondContact O-CB 3.34Å; I439-M442 PolarHBondContact O-N 3.08Å; V440-M442 VanDerWaalsContact C-N 3.31Å; V440-M442 PolarHBondContact O-N 3.22Å; M442-L444 VanDerWaalsContact C-N 3.34Å; M442-R446 PolarHBondContact O-N 3.5Å; M442-R446 VanDerWaalsContact O-N 3.08Å |
| 443 | F | 81.5 | Confident | 76.3 | Confident | 120 Ų | 120 | 52.4 Ų | 52.4 | 53% | 0.526 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 176.5 | -78.6 | -66.2 | 0 | 0 | 0 | 112.2 | W223 I439 V440 I441 | W223-F443 AromaticContact CH2-CD1 3.94Å; W223-F443 HydrophobicContact CH2-CD1 3.94Å; W223-F443 AromaticContact CH2-CE1 3.77Å; W223-F443 HydrophobicContact CH2-CE1 3.77Å; W223-F443 HydrophobicContact CZ2-CE1 4.33Å; I439-F443 HydrophobicContact CD1-CE2 3.9Å; I439-F443 HydrophobicContact CG1-CD2 4.04Å; I439-F443 HydrophobicContact CG1-CE2 3.69Å; I439-F443 WeakPolarHBondContact O-CD2 3.38Å; I439-F443 PolarHBondContact O-N 2.94Å; V440-F443 PolarHBondContact O-N 3.49Å; I441-F443 PolarHBondContact O-N 3.09Å |
| 444 | L | 75.6 | Confident | 74.4 | Confident | 31 Ų | 31 | 55 Ų | 55 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.8 | -41.4 | -178.1 | -156.1 | 82.4 | 0 | 0 | 0 | 112.6 | L385 F389 V440 I441 M442 | L385-L444 HydrophobicContact CD1-CD1 4.38Å; L385-L444 HydrophobicContact CD2-CD1 3.13Å; L385-L444 HydrophobicContact CD2-CG 3.6Å; L385-L444 HydrophobicContact CG-CD1 3.45Å; L385-L444 VanDerWaalsContact CG-CD1 3.45Å; L385-L444 HydrophobicContact CG-CG 4.38Å; F389-L444 HydrophobicContact CB-CD1 3.84Å; F389-L444 HydrophobicContact CB-CD2 4.04Å; F389-L444 HydrophobicContact CD1-CD2 4.2Å; F389-L444 HydrophobicContact CD2-CD1 4.49Å; F389-L444 HydrophobicContact CD2-CD2 3.71Å; F389-L444 HydrophobicContact CE2-CD2 4.16Å; F389-L444 HydrophobicContact CG-CD1 4.38Å; F389-L444 HydrophobicContact CG-CD2 3.71Å; V440-L444 WeakPolarHBondContact O-CB 3.23Å; V440-L444 PolarHBondContact O-N 2.9Å; I441-L444 PolarHBondContact O-N 3.15Å; M442-L444 VanDerWaalsContact C-N 3.34Å |
| 445 | W | 76.3 | Confident | 72.4 | Confident | 38 Ų | 38 | 54.4 Ų | 54.4 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 10.3 | -173.2 | -70.5 | 83.8 | 0 | 0 | 0 | 113.5 | W220 I234 Q235 I238 V291 I441 | W220-W445 HydrophobicContact CH2-CB 4.42Å; I234-W445 HydrophobicContact CB-CZ3 4.33Å; I234-W445 HydrophobicContact CD1-CH2 4.22Å; I234-W445 HydrophobicContact CD1-CZ3 3.91Å; I234-W445 HydrophobicContact CG2-CE3 3.97Å; I234-W445 HydrophobicContact CG2-CH2 4.43Å; I234-W445 HydrophobicContact CG2-CZ3 3.82Å; Q235-W445 PolarHBondContact NE2-O 3.27Å; I238-W445 HydrophobicContact CD1-CB 3.68Å; I238-W445 HydrophobicContact CD1-CD2 4.31Å; I238-W445 HydrophobicContact CD1-CG 3.89Å; V291-W445 HydrophobicContact CB-CZ2 4.26Å; V291-W445 HydrophobicContact CG1-CZ2 3.75Å; V291-W445 HydrophobicContact CG2-CH2 3.94Å; V291-W445 HydrophobicContact CG2-CZ2 3.54Å; I441-W445 HydrophobicContact CG2-CG 4.44Å; I441-W445 WeakPolarHBondContact O-CB 3.11Å; I441-W445 VanDerWaalsContact O-CD1 3.31Å; I441-W445 PolarHBondContact O-N 3.45Å |
| 446 | R | 80.8 | Confident | 70.2 | Confident | 109 Ų | 109 | 61 Ų | 61 | 41% | 0.411 | 30% | 0.3 | S | S | . | . | trans | -46 | 130.2 | 178.4 | 179.2 | -176.5 | 171.9 | -145.1 | -1.9 | 110.5 | W223 M442 S448 | W223-R446 HydrophobicContact CD2-CG 3.83Å; W223-R446 HydrophobicContact CE3-CB 4.47Å; W223-R446 HydrophobicContact CE3-CG 3.95Å; W223-R446 HydrophobicContact CG-CG 4.1Å; W223-R446 HydrophobicContact CZ3-CG 4.46Å; M442-R446 PolarHBondContact O-N 3.5Å; M442-R446 VanDerWaalsContact O-N 3.08Å; R446-S448 PolarHBondContact O-N 2.98Å | ||
| 447 | P | 70.9 | Confident | 68 | Low | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | trans | -52 | 126.1 | 170 | -24.6 | 32.5 | 0 | 0 | 0 | 111.2 | W223 Y227 | W223-P447 HydrophobicContact CB-CG 4.41Å; Y227-P447 HydrophobicContact CD2-CB 4.01Å; Y227-P447 WeakPolarHBondContact CD2-O 3.46Å; Y227-P447 WeakPolarHBondContact CE2-O 3.32Å; Y227-P447 HydrophobicContact CG-CB 4.22Å | ||
| 448 | S | 67.9 | Low | 65.9 | Low | 54 Ų | 54 | 65.9 Ų | 65.9 | 38% | 0.378 | 33% | 0.329 | S | S | . | . | trans | -139.1 | 137.1 | 178.1 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | R446 N450 N451 | R446-S448 PolarHBondContact O-N 2.98Å; S448-N450 PolarHBondContact O-N 3.04Å; S448-N451 PolarHBondContact N-ND2 3.18Å; S448-N451 WeakPolarHBondContact O-CB 3.3Å; S448-N451 PolarHBondContact O-N 3.41Å | ||
| 449 | A | 55.8 | Low | 63.8 | Low | 61 Ų | 61 | 70.2 Ų | 70.2 | 50% | 0.504 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -22.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y227 | Y227-A449 HydrophobicContact CD1-CB 4.07Å; Y227-A449 HydrophobicContact CE1-CB 3.84Å |
| 450 | N | 57.3 | Low | 61.6 | Low | 62 Ų | 62 | 74.9 Ų | 74.9 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -1.8 | -178.7 | -145 | 17.1 | 0 | 0 | 0 | 113.6 | S448 Q452 R453 Y454 | S448-N450 PolarHBondContact O-N 3.04Å; N450-Q452 PolarHBondContact O-N 3.49Å; N450-R453 PolarHBondContact O-N 3.46Å; N450-Y454 HydrophobicContact CB-CD2 4.37Å; N450-Y454 HydrophobicContact CB-CE2 3.92Å; N450-Y454 WeakPolarHBondContact ND2-CE2 3.03Å; N450-Y454 PolarHBondContact ND2-OH 3.29Å; N450-Y454 VanDerWaalsContact ND2-OH 3.11Å; N450-Y454 WeakPolarHBondContact O-CD2 3.31Å |
| 451 | N | 58.1 | Low | 59.3 | Low | 40 Ų | 40 | 80 Ų | 80 | 21% | 0.214 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69.3 | -34.3 | -170.9 | -76.3 | -14 | 0 | 0 | 0 | 114 | L232 S448 A455 | L232-N451 HydrophobicContact CD1-CB 4.02Å; S448-N451 PolarHBondContact N-ND2 3.18Å; S448-N451 WeakPolarHBondContact O-CB 3.3Å; S448-N451 PolarHBondContact O-N 3.41Å; N451-A455 PolarHBondContact O-N 3.37Å |
| 452 | Q | 51 | Low | 57.2 | Low | 68 Ų | 68 | 85 Ų | 85 | 32% | 0.318 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 175.6 | -68.5 | -111.9 | -22.1 | 0 | 0 | 111.9 | D230 N450 Y454 A455 F456 | D230-Q452 HydrophobicContact CB-CG 4.01Å; N450-Q452 PolarHBondContact O-N 3.49Å; Q452-Y454 PolarHBondContact O-N 3.47Å; Q452-A455 PolarHBondContact O-N 3.02Å; Q452-F456 VanDerWaalsContact O-CD2 3.3Å; Q452-F456 WeakPolarHBondContact O-CD2 3.34Å; Q452-F456 PolarHBondContact O-N 3.06Å |
| 453 | R | 49.5 | Very low | 54.9 | Low | 204 Ų | 204 | 89.7 Ų | 89.7 | 77% | 0.77 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.3 | -24.8 | -178.6 | -134.1 | 174.5 | -173.6 | 176.4 | 1.5 | 113.5 | N450 | N450-R453 PolarHBondContact O-N 3.46Å |
| 454 | Y | 49.4 | Very low | 53.1 | Low | 82 Ų | 82 | 91.3 Ų | 91.3 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -90.5 | -19.2 | 174.9 | -67.8 | -65.2 | 0 | 0 | 0 | 114.5 | N379 N450 Q452 | N379-Y454 PolarHBondContact ND2-OH 3.37Å; N450-Y454 HydrophobicContact CB-CD2 4.37Å; N450-Y454 HydrophobicContact CB-CE2 3.92Å; N450-Y454 WeakPolarHBondContact ND2-CE2 3.03Å; N450-Y454 PolarHBondContact ND2-OH 3.29Å; N450-Y454 VanDerWaalsContact ND2-OH 3.11Å; N450-Y454 WeakPolarHBondContact O-CD2 3.31Å; Q452-Y454 PolarHBondContact O-N 3.47Å |
| 455 | A | 48.3 | Very low | 51.6 | Low | 38 Ų | 38 | 97 Ų | 97 | 31% | 0.314 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -82.2 | -21.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N451 Q452 | N451-A455 PolarHBondContact O-N 3.37Å; Q452-A455 PolarHBondContact O-N 3.02Å |
| 456 | F | 45.5 | Very low | 50.1 | Low | 140 Ų | 140 | 104.1 Ų | 104.1 | 61% | 0.614 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -114.4 | 15 | -177.4 | -63.2 | -69.6 | 0 | 0 | 0 | 114.5 | Q452 P458 | Q452-F456 VanDerWaalsContact O-CD2 3.3Å; Q452-F456 WeakPolarHBondContact O-CD2 3.34Å; Q452-F456 PolarHBondContact O-N 3.06Å; F456-P458 WeakPolarHBondContact O-CD 3.36Å |
| 457 | M | 42.7 | Very low | 48.2 | Very low | 93 Ų | 93 | 105 Ų | 105 | 46% | 0.458 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -68.7 | 117.4 | 171.3 | -160.4 | 149.8 | 72.8 | 0 | 0 | 107.8 | R377 L459 | R377-M457 HydrophobicContact CG-CE 4.49Å; M457-L459 PolarHBondContact O-N 3.11Å; M457-L459 VanDerWaalsContact O-N 3.12Å |
| 458 | P | 42.7 | Very low | 46.7 | Very low | 109 Ų | 109 | 114.6 Ų | 114.6 | 71% | 0.708 | 60% | 0.603 | S | S | * | * | trans | -57.8 | 124.4 | -176.5 | -14.6 | 26.4 | 0 | 0 | 0 | 107.6 | F456 I460 | F456-P458 WeakPolarHBondContact O-CD 3.36Å; P458-I460 VanDerWaalsContact C-N 3.32Å; P458-I460 PolarHBondContact O-N 3.12Å | ||
| 459 | L | 45.3 | Very low | 45.3 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 53% | 0.534 | 62% | 0.623 | S | S | . | * | trans | -64.9 | 104.6 | 160.6 | -69.7 | 163.4 | 0 | 0 | 0 | 104.1 | M457 D461 | M457-L459 PolarHBondContact O-N 3.11Å; M457-L459 VanDerWaalsContact O-N 3.12Å; L459-D461 VanDerWaalsContact C-N 3.27Å; L459-D461 PolarHBondContact O-N 3.01Å | ||
| 460 | I | 42 | Very low | 44.2 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | trans | -61.9 | 108.2 | 158.5 | -61.8 | 171.9 | 0 | 0 | 0 | 103 | P458 D462 | P458-I460 VanDerWaalsContact C-N 3.32Å; P458-I460 PolarHBondContact O-N 3.12Å; I460-D462 VanDerWaalsContact C-N 3.31Å; I460-D462 PolarHBondContact O-N 3.01Å | ||
| 461 | D | 36.3 | Very low | 43.1 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 76% | 0.759 | 66% | 0.664 | S | S | * | * | trans | -66.3 | 96.5 | 175 | -161.5 | 36.1 | 0 | 0 | 0 | 105 | L459 S463 | L459-D461 VanDerWaalsContact C-N 3.27Å; L459-D461 PolarHBondContact O-N 3.01Å; D461-S463 PolarHBondContact O-N 3.04Å | ||
| 462 | D | 39.7 | Very low | 42 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 77% | 0.765 | 69% | 0.694 | S | S | * | * | trans | -66.9 | 90.1 | 160.7 | -78.5 | -26.8 | 0 | 0 | 0 | 104.9 | I460 D464 | I460-D462 VanDerWaalsContact C-N 3.31Å; I460-D462 PolarHBondContact O-N 3.01Å; D462-D464 VanDerWaalsContact C-N 3.33Å; D462-D464 PolarHBondContact O-N 2.88Å | ||
| 463 | S | 35.5 | Very low | 41.4 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | trans | -53.6 | 105.6 | 155.4 | 50.1 | 0 | 0 | 0 | 0 | 106.4 | D461 D465 | D461-S463 PolarHBondContact O-N 3.04Å; S463-D465 VanDerWaalsContact C-N 3.34Å; S463-D465 PolarHBondContact O-N 3.03Å | ||
| 464 | D | 45 | Very low | 40.8 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | trans | -52.5 | 104.8 | 159.4 | -88.5 | -33.8 | 0 | 0 | 0 | 106.9 | D462 | D462-D464 VanDerWaalsContact C-N 3.33Å; D462-D464 PolarHBondContact O-N 2.88Å | ||
| 465 | D | 44.1 | Very low | 40.1 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -161.8 | 105 | 134.8 | -81.8 | -32 | 0 | 0 | 0 | 107.6 | S463 | S463-D465 VanDerWaalsContact C-N 3.34Å; S463-D465 PolarHBondContact O-N 3.03Å |
| 466 | E | 44.1 | Very low | 39.6 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 61.7 | 97.1 | 161.4 | -52.2 | -169.2 | 176.1 | 0 | 0 | 118.4 | ||
| 467 | V | 40.3 | Very low | 39.1 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | -166.4 | 87 | 120.7 | -176.6 | 0 | 0 | 0 | 0 | 108 | E469 | V467-E469 HydrophobicContact CG1-CB 4.22Å; V467-E469 PolarHBondContact O-N 2.95Å; V467-E469 VanDerWaalsContact O-N 3.11Å | |||
| 468 | E | 40.4 | Very low | 39 | Very low | 206 Ų | 206 | 147.9 Ų | 147.9 | 96% | 0.963 | 79% | 0.793 | S | S | * | * | trans | -80.8 | 62.6 | 164.3 | -162.5 | 176.5 | -155 | 0 | 0 | 109.2 | ||||
| 469 | E | 38 | Very low | 38.8 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -162.1 | 61.3 | 175.5 | -152.7 | 174.1 | -166.3 | 0 | 0 | 113.4 | V467 | V467-E469 HydrophobicContact CG1-CB 4.22Å; V467-E469 PolarHBondContact O-N 2.95Å; V467-E469 VanDerWaalsContact O-N 3.11Å | ||
| 470 | F | 32.8 | Very low | 38.4 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | trans | -146.7 | 44.2 | 166.7 | -155.5 | -100.2 | 0 | 0 | 0 | 114 | ||||
| 471 | M | 33.3 | Very low | 38.2 | Very low | 185 Ų | 185 | 150.6 Ų | 150.6 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -133.1 | 17.8 | 168.6 | -148.8 | 178.6 | 149.9 | 0 | 0 | 114.2 | ||
| 472 | V | 36.8 | Very low | 38 | Very low | 139 Ų | 139 | 150.7 Ų | 150.7 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -138.5 | 54.3 | 175.1 | -160.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 473 | T | 37.2 | Very low | 37.9 | Very low | 105 Ų | 105 | 152.1 Ų | 152.1 | 64% | 0.644 | 81% | 0.812 | S | S | * | * | trans | -150.6 | 33.2 | 172.2 | 37.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 474 | S | 37.5 | Very low | 37.7 | Very low | 122 Ų | 122 | 156.8 Ų | 156.8 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -97.6 | 15.2 | 175.2 | 70.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 475 | E | 34.8 | Very low | 36.9 | Very low | 185 Ų | 185 | 154 Ų | 154 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -124.7 | 7.1 | -179.2 | -73.1 | -164.3 | 150.1 | 0 | 0 | 115.8 | ||
| 476 | N | 36.6 | Very low | 36.2 | Very low | 152 Ų | 152 | 151.7 Ų | 151.7 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -141.3 | 28.2 | -176.7 | -136.9 | -2.3 | 0 | 0 | 0 | 117.1 | ||
| 477 | L | 36 | Very low | 35.4 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -112.7 | 53 | 175.2 | -149.9 | 82.2 | 0 | 0 | 0 | 112.4 | ||||
| 478 | T | 41.6 | Very low | 34.7 | Very low | 138 Ų | 138 | 152.3 Ų | 152.3 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -113.9 | 3.4 | 168.5 | 32.4 | 0 | 0 | 0 | 0 | 115 | ||
| 479 | E | 37.4 | Very low | 34.1 | Very low | 188 Ų | 188 | 148.4 Ų | 148.4 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -135.6 | 117.1 | 175.6 | -86.2 | -174.8 | 142.3 | 0 | 0 | 113.1 | ||
| 480 | G | 37.5 | Very low | 33.6 | Very low | 63 Ų | 63 | 145.3 Ų | 145.3 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | 85.5 | 113.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 481 | I | 37.1 | Very low | 33.2 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | -151.2 | 126 | 74.9 | -79.7 | 147.7 | 0 | 0 | 0 | 110.7 | |||||
| 482 | K | 31.6 | Very low | 33 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | trans | -68.5 | 124.1 | 164.4 | 170.4 | -174.8 | -178 | 179.2 | 0 | 110.5 | R484 | K482-R484 VanDerWaalsContact CE-CZ 3.46Å; K482-R484 HydrophobicContact CG-CG 4.48Å | ||
| 483 | L | 37.3 | Very low | 32.5 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -123.2 | 127.8 | 151.6 | -83.1 | 169.4 | 0 | 0 | 0 | 109.5 | ||||
| 484 | R | 31.9 | Very low | 32.2 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | -93.8 | 141.3 | -165.7 | -99.7 | 178.9 | 175.5 | 144.3 | -7.2 | 112.1 | K482 | K482-R484 VanDerWaalsContact CE-CZ 3.46Å; K482-R484 HydrophobicContact CG-CG 4.48Å | ||
| 485 | A | 27.9 | Very low | 31.7 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | 63.9 | 137.9 | 132.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 486 | S | 29.7 | Very low | 32.2 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | -170.9 | 148.7 | 24.7 | 43.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 487 | K | 27.2 | Very low | 31.9 | Very low | 198 Ų | 198 | 138 Ų | 138 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | -164.7 | 139.5 | 73.8 | -103.2 | 177.5 | 176.4 | 174.3 | 0 | 113.2 | |||||
| 488 | T | 26.3 | Very low | 32.3 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -29.2 | 142.5 | 162.9 | -34 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 489 | V | 27.7 | Very low | 32.5 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | 162.1 | 98.2 | 116.1 | 168.1 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 490 | S | 26.8 | Very low | 32.8 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 82.8 | 112.9 | 98.9 | 113.3 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 491 | N | 25.7 | Very low | 33.5 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | 108 | 120.3 | 124.6 | -135.8 | 19.1 | 0 | 0 | 0 | 119.6 | |||||
| 492 | G | 28.4 | Very low | 34.1 | Very low | 60 Ų | 60 | 134.7 Ų | 134.7 | 62% | 0.619 | 76% | 0.762 | S | S | * | * | trans | 113.4 | 97.1 | 136.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 493 | T | 26.1 | Very low | 35.2 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 94% | 0.939 | 76% | 0.763 | S | S | * | * | trans | 75.5 | 139.9 | 130.5 | -42.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 494 | A | 30.3 | Very low | 36.1 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -86.4 | 148.3 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 495 | K | 28.5 | Very low | 37.5 | Very low | 203 Ų | 203 | 126.6 Ų | 126.6 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | 176.4 | 162.4 | 123.4 | -116.8 | -161.6 | 162.8 | 170.3 | 0 | 110.8 | |||||
| 496 | P | 44.8 | Very low | 38.7 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | trans | -93.2 | 148.6 | -161.5 | 37.4 | -34.7 | 0 | 0 | 0 | 113.1 | ||||
| 497 | T | 29.7 | Very low | 40.5 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 81% | 0.81 | 72% | 0.723 | S | S | * | * | trans | -157.8 | 138.9 | 160 | 22.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 498 | S | 44.7 | Very low | 42 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 78% | 0.783 | 70% | 0.702 | S | S | * | * | trans | -96.1 | 74.8 | -171.1 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 499 | D | 44.7 | Very low | 43.9 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | trans | -143.7 | 13.8 | -178.3 | -81.9 | -40.6 | 0 | 0 | 0 | 115.9 | ||||
| 500 | N | 44.3 | Very low | 45.4 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 60% | 0.604 | 70% | 0.699 | S | S | * | * | trans | -98.2 | 0.8 | -173.5 | -83.5 | 14.9 | 0 | 0 | 0 | 116.8 | D504 | N500-D504 PolarHBondContact O-N 3.4Š| ||
| 501 | F | 52.3 | Low | 46.6 | Very low | 165 Ų | 165 | 128 Ų | 128 | 72% | 0.724 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -75.6 | -31.3 | -177.4 | -146 | -90.7 | 0 | 0 | 0 | 112.8 | L505 | F501-L505 HydrophobicContact CD1-CD1 3.87Å; F501-L505 HydrophobicContact CD1-CG 4.37Å; F501-L505 HydrophobicContact CE1-CD1 4.21Å; F501-L505 WeakPolarHBondContact O-CG 3.41Å; F501-L505 PolarHBondContact O-N 3.2Å |
| 502 | D | 51 | Low | 47.8 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 67% | 0.674 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -79.8 | -29.2 | -178.5 | -69.4 | -38.5 | 0 | 0 | 0 | 112.7 | K506 | D502-K506 WeakPolarHBondContact O-CB 3.35Å; D502-K506 PolarHBondContact O-N 3.14Å; D502-K506 VanDerWaalsContact O-N 3.14Å |
| 503 | E | 54.4 | Low | 48.5 | Very low | 141 Ų | 141 | 127 Ų | 127 | 66% | 0.659 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -72.7 | -37.3 | 172.3 | -77.1 | -158.5 | 149.2 | 0 | 0 | 112.2 | L505 K506 W507 | E503-L505 VanDerWaalsContact C-N 3.35Å; E503-K506 PolarHBondContact O-N 2.98Å; E503-W507 PolarHBondContact O-N 3.36Å |
| 504 | D | 56 | Low | 49.4 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 60% | 0.599 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.6 | -37.3 | 174.9 | -81.9 | -13.5 | 0 | 0 | 0 | 111.6 | N500 V508 | N500-D504 PolarHBondContact O-N 3.4Å; D504-V508 WeakPolarHBondContact O-CG2 3.42Å; D504-V508 PolarHBondContact O-N 3.31Å |
| 505 | L | 60.2 | Low | 50.1 | Low | 91 Ų | 91 | 124.7 Ų | 124.7 | 48% | 0.476 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -65.1 | -38.9 | 172.6 | -79 | 164.8 | 0 | 0 | 0 | 112 | F501 E503 V508 E509 | F501-L505 HydrophobicContact CD1-CD1 3.87Å; F501-L505 HydrophobicContact CD1-CG 4.37Å; F501-L505 HydrophobicContact CE1-CD1 4.21Å; F501-L505 WeakPolarHBondContact O-CG 3.41Å; F501-L505 PolarHBondContact O-N 3.2Å; E503-L505 VanDerWaalsContact C-N 3.35Å; L505-V508 PolarHBondContact O-N 3.38Å; L505-E509 PolarHBondContact O-N 3.13Å; L505-E509 VanDerWaalsContact O-N 3.12Å |
| 506 | K | 54.7 | Low | 50.8 | Low | 138 Ų | 138 | 124.2 Ų | 124.2 | 60% | 0.6 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.9 | -36.2 | -178.7 | -149.7 | 175.3 | -173.9 | -177.5 | 0 | 112.6 | D502 E503 V508 E509 E510 | D502-K506 WeakPolarHBondContact O-CB 3.35Å; D502-K506 PolarHBondContact O-N 3.14Å; D502-K506 VanDerWaalsContact O-N 3.14Å; E503-K506 PolarHBondContact O-N 2.98Å; K506-V508 VanDerWaalsContact C-N 3.33Å; K506-E509 PolarHBondContact O-N 3.25Å; K506-E510 PolarHBondContact O-N 3.22Å |
| 507 | W | 66.9 | Low | 50.6 | Low | 166 Ų | 166 | 124.8 Ų | 124.8 | 63% | 0.629 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.8 | -39 | 172.9 | -176.8 | 88.4 | 0 | 0 | 0 | 112 | E503 E510 N511 | E503-W507 PolarHBondContact O-N 3.36Å; W507-E510 PolarHBondContact O-N 3.01Å; W507-N511 HydrophobicContact CZ2-CB 4.47Å; W507-N511 PolarHBondContact NE1-ND2 3.06Å; W507-N511 WeakPolarHBondContact O-CB 3.35Å; W507-N511 PolarHBondContact O-N 3.12Å; W507-N511 VanDerWaalsContact O-N 3.13Å; W507-N511 PolarHBondContact O-ND2 3.34Å |
| 508 | V | 59.2 | Low | 51 | Low | 69 Ų | 69 | 125.7 Ų | 125.7 | 42% | 0.418 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -66 | -39.2 | 176.9 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | D504 L505 K506 I512 | D504-V508 WeakPolarHBondContact O-CG2 3.42Å; D504-V508 PolarHBondContact O-N 3.31Å; L505-V508 PolarHBondContact O-N 3.38Å; K506-V508 VanDerWaalsContact C-N 3.33Å; V508-I512 HydrophobicContact CG1-CD1 3.74Å; V508-I512 WeakPolarHBondContact O-CG1 3.41Å; V508-I512 PolarHBondContact O-N 2.82Å |
| 509 | E | 64.6 | Low | 50.8 | Low | 166 Ų | 166 | 126.8 Ų | 126.8 | 78% | 0.776 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72.8 | -29.8 | 179.5 | -160.3 | 149.4 | -157.9 | 0 | 0 | 112.9 | L505 K506 | L505-E509 PolarHBondContact O-N 3.13Å; L505-E509 VanDerWaalsContact O-N 3.12Å; K506-E509 PolarHBondContact O-N 3.25Å |
| 510 | E | 60.6 | Low | 50.5 | Low | 152 Ų | 152 | 124.7 Ų | 124.7 | 71% | 0.71 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -82.4 | -21.3 | 176.2 | -78.1 | -178.5 | 169.8 | 0 | 0 | 114.5 | K506 W507 | K506-E510 PolarHBondContact O-N 3.22Å; W507-E510 PolarHBondContact O-N 3.01Å |
| 511 | N | 51.7 | Low | 50 | Low | 90 Ų | 90 | 126.5 Ų | 126.5 | 48% | 0.481 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -105.7 | -2.8 | -174.8 | -72.1 | -86.2 | 0 | 0 | 0 | 114.9 | W507 P513 | W507-N511 HydrophobicContact CZ2-CB 4.47Å; W507-N511 PolarHBondContact NE1-ND2 3.06Å; W507-N511 WeakPolarHBondContact O-CB 3.35Å; W507-N511 PolarHBondContact O-N 3.12Å; W507-N511 VanDerWaalsContact O-N 3.13Å; W507-N511 PolarHBondContact O-ND2 3.34Å; N511-P513 WeakPolarHBondContact O-CD 3.39Å |
| 512 | I | 51.4 | Low | 49 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 60% | 0.6 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -93.6 | 110.6 | 168.6 | -60.6 | 170.5 | 0 | 0 | 0 | 108.2 | V508 S514 | V508-I512 HydrophobicContact CG1-CD1 3.74Å; V508-I512 WeakPolarHBondContact O-CG1 3.41Å; V508-I512 PolarHBondContact O-N 2.82Å; I512-S514 PolarHBondContact O-N 3.17Å |
| 513 | P | 41.8 | Very low | 48.2 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 60% | 0.597 | 67% | 0.672 | S | S | * | * | trans | -63 | 126.8 | 179.7 | 22.9 | -30.1 | 0 | 0 | 0 | 110.9 | N511 S515 | N511-P513 WeakPolarHBondContact O-CD 3.39Å; P513-S515 PolarHBondContact O-N 3.06Å | ||
| 514 | S | 46.4 | Very low | 47.6 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 40.6 | -178.4 | 59.3 | 0 | 0 | 0 | 0 | 114 | I512 | I512-S514 PolarHBondContact O-N 3.17Š|
| 515 | S | 44.5 | Very low | 46.5 | Very low | 82 Ų | 82 | 125.8 Ų | 125.8 | 57% | 0.573 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | 5.5 | -179.3 | 63.3 | 0 | 0 | 0 | 0 | 114.6 | P513 | P513-S515 PolarHBondContact O-N 3.06Š|
| 516 | F | 42.6 | Very low | 45.1 | Very low | 194 Ų | 194 | 128.6 Ų | 128.6 | 85% | 0.851 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -98.7 | 2.8 | 176.6 | -101 | -85 | 0 | 0 | 0 | 115 | ||
| 517 | T | 40.7 | Very low | 44.6 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -101.6 | -4.7 | -178.6 | 41.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 518 | D | 37.8 | Very low | 43.4 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -109.6 | 5.9 | -175.9 | -82.7 | -22 | 0 | 0 | 0 | 116.4 | ||
| 519 | V | 40.8 | Very low | 42.7 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -121.7 | 5.9 | -176 | -176.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 520 | A | 37.5 | Very low | 41.8 | Very low | 85 Ų | 85 | 130 Ų | 130 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -127.2 | 63.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 521 | L | 35.3 | Very low | 41.1 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | 174.6 | 127.7 | 122.9 | -112.7 | 89 | 0 | 0 | 0 | 109.6 | V523 | L521-V523 HydrophobicContact CD2-CG2 4.2Š| |||
| 522 | P | 31.2 | Very low | 40.7 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | -116.5 | 135.1 | 129.7 | 22.4 | -9.6 | 0 | 0 | 0 | 111.3 | |||||
| 523 | V | 33.9 | Very low | 40.5 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 67% | 0.667 | 73% | 0.729 | S | S | * | * | trans | -61.8 | 130.1 | 170 | 162.5 | 0 | 0 | 0 | 0 | 110.5 | L521 | L521-V523 HydrophobicContact CD2-CG2 4.2Š| ||
| 524 | L | 42.4 | Very low | 40.9 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | trans | 42.9 | 108.1 | 147.6 | -58.2 | 166.9 | 0 | 0 | 0 | 119 | ||||
| 525 | V | 32.9 | Very low | 41.2 | Very low | 137 Ų | 137 | 131 Ų | 131 | 83% | 0.83 | 72% | 0.72 | S | S | * | * | trans | -157.4 | 130.6 | 131.7 | -176.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 526 | D | 30.4 | Very low | 41.4 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | trans | 46.8 | 99.7 | 162.9 | -68.1 | -22 | 0 | 0 | 0 | 122.1 | ||||
| 527 | S | 44 | Very low | 42.2 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 76% | 0.762 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -83.7 | 108.1 | 147.9 | -56.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 528 | D | 41.3 | Very low | 42.8 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -169.7 | -21.4 | 149.2 | -90.8 | -20 | 0 | 0 | 0 | 112.3 | ||
| 529 | E | 44.7 | Very low | 43.7 | Very low | 172 Ų | 172 | 124.3 Ų | 124.3 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -81.7 | -21.6 | 178.2 | -82.5 | -173.4 | 154.5 | 0 | 0 | 115.5 | T533 | E529-T533 PolarHBondContact O-OG1 3.44Å |
| 530 | E | 45.9 | Very low | 44.2 | Very low | 153 Ų | 153 | 125.3 Ų | 125.3 | 72% | 0.715 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -81.3 | -20.8 | -177.5 | -105.7 | -166.2 | 159.8 | 0 | 0 | 114.4 | T533 R534 | E530-T533 WeakPolarHBondContact CA-OG1 3.33Å; E530-T533 PolarHBondContact O-OG1 2.81Å; E530-R534 WeakPolarHBondContact O-CB 3.43Å; E530-R534 PolarHBondContact O-N 3.03Å |
| 531 | I | 45.9 | Very low | 44.8 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 65% | 0.646 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -78.2 | -35.3 | 179.9 | -55.5 | 175.2 | 0 | 0 | 0 | 110.1 | S535 | I531-S535 PolarHBondContact O-N 3.35Å; I531-S535 VanDerWaalsContact O-N 3.12Å; I531-S535 PolarHBondContact O-OG 3.46Å |
| 532 | M | 42.3 | Very low | 45.4 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 64% | 0.64 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.7 | -41.2 | 177.9 | -165.1 | -179.6 | -62.1 | 0 | 0 | 111.9 | S535 E536 | M532-S535 WeakPolarHBondContact CA-OG 3.5Å; M532-S535 PolarHBondContact O-N 3.12Å; M532-S535 PolarHBondContact O-OG 3.28Å; M532-E536 PolarHBondContact O-N 3.27Å |
| 533 | T | 48 | Very low | 46.2 | Very low | 68 Ų | 68 | 125.9 Ų | 125.9 | 42% | 0.417 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -69.5 | -37.2 | 177 | 43.8 | 0 | 0 | 0 | 0 | 112.2 | E529 E530 E536 I537 | E529-T533 PolarHBondContact O-OG1 3.44Å; E530-T533 WeakPolarHBondContact CA-OG1 3.33Å; E530-T533 PolarHBondContact O-OG1 2.81Å; T533-E536 PolarHBondContact O-N 2.85Å; T533-I537 WeakPolarHBondContact O-CB 3.4Å; T533-I537 VanDerWaalsContact O-CD1 3.29Å; T533-I537 WeakPolarHBondContact O-CD1 3.12Å; T533-I537 WeakPolarHBondContact O-CG1 3.29Å; T533-I537 PolarHBondContact O-N 2.99Å |
| 534 | R | 51.2 | Low | 46.8 | Very low | 196 Ų | 196 | 125.1 Ų | 125.1 | 74% | 0.74 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.1 | -35.6 | 172.3 | -87.3 | -174.9 | 160.6 | -168.3 | -3.5 | 113.3 | E530 A538 | E530-R534 WeakPolarHBondContact O-CB 3.43Å; E530-R534 PolarHBondContact O-N 3.03Å; R534-A538 WeakPolarHBondContact O-CB 3.46Å; R534-A538 PolarHBondContact O-N 3.17Å |
| 535 | S | 51 | Low | 47.1 | Very low | 66 Ų | 66 | 125.2 Ų | 125.2 | 46% | 0.462 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.2 | -40 | 174.3 | 51.8 | 0 | 0 | 0 | 0 | 112.9 | I531 M532 A538 E539 | I531-S535 PolarHBondContact O-N 3.35Å; I531-S535 VanDerWaalsContact O-N 3.12Å; I531-S535 PolarHBondContact O-OG 3.46Å; M532-S535 WeakPolarHBondContact CA-OG 3.5Å; M532-S535 PolarHBondContact O-N 3.12Å; M532-S535 PolarHBondContact O-OG 3.28Å; S535-A538 PolarHBondContact O-N 3.02Å; S535-E539 WeakPolarHBondContact O-CB 3.4Å; S535-E539 PolarHBondContact O-N 3.42Å |
| 536 | E | 50.2 | Low | 47.7 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 51% | 0.505 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69 | -34.7 | 176.9 | -78.7 | -171.4 | 147.8 | 0 | 0 | 112.9 | M532 T533 K540 | M532-E536 PolarHBondContact O-N 3.27Å; T533-E536 PolarHBondContact O-N 2.85Å; E536-K540 WeakPolarHBondContact O-CG 3.35Å; E536-K540 PolarHBondContact O-N 3.12Å; E536-K540 VanDerWaalsContact O-N 3.12Å |
| 537 | I | 58 | Low | 48.6 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 52% | 0.523 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -72.3 | -36.9 | 176.6 | -65.6 | 163.9 | 0 | 0 | 0 | 110.7 | T533 K540 M541 | T533-I537 WeakPolarHBondContact O-CB 3.4Å; T533-I537 VanDerWaalsContact O-CD1 3.29Å; T533-I537 WeakPolarHBondContact O-CD1 3.12Å; T533-I537 WeakPolarHBondContact O-CG1 3.29Å; T533-I537 PolarHBondContact O-N 2.99Å; I537-K540 PolarHBondContact O-N 3.06Å; I537-M541 PolarHBondContact O-N 3.48Å |
| 538 | A | 54.8 | Low | 48.6 | Very low | 47 Ų | 47 | 134 Ų | 134 | 39% | 0.388 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -66.3 | -40 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R534 S535 M541 F542 | R534-A538 WeakPolarHBondContact O-CB 3.46Å; R534-A538 PolarHBondContact O-N 3.17Å; S535-A538 PolarHBondContact O-N 3.02Å; A538-M541 PolarHBondContact O-N 3.4Å; A538-F542 WeakPolarHBondContact O-CD2 3.44Å; A538-F542 PolarHBondContact O-N 3.26Å; A538-F542 VanDerWaalsContact O-N 3.13Å |
| 539 | E | 56.7 | Low | 48.9 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.5 | -34.5 | 177.9 | -157.6 | 171.1 | -164.7 | 0 | 0 | 112.2 | S535 S543 | S535-E539 WeakPolarHBondContact O-CB 3.4Å; S535-E539 PolarHBondContact O-N 3.42Å; E539-S543 PolarHBondContact O-N 3.4Å; E539-S543 VanDerWaalsContact O-N 3.14Å |
| 540 | K | 51.5 | Low | 49.2 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 67% | 0.674 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.9 | -34.4 | 172.4 | -76.8 | 178.7 | -178.9 | 171.3 | 0 | 113.5 | E536 I537 S544 | E536-K540 WeakPolarHBondContact O-CG 3.35Å; E536-K540 PolarHBondContact O-N 3.12Å; E536-K540 VanDerWaalsContact O-N 3.12Å; I537-K540 PolarHBondContact O-N 3.06Å; K540-S544 PolarHBondContact O-N 3.25Å |
| 541 | M | 49.9 | Very low | 49.4 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 68% | 0.68 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.8 | -43 | 173.9 | -88.6 | -175.9 | 175.1 | 0 | 0 | 112 | I537 A538 S543 S544 E545 | I537-M541 PolarHBondContact O-N 3.48Å; A538-M541 PolarHBondContact O-N 3.4Å; M541-S543 VanDerWaalsContact C-N 3.32Å; M541-S543 PolarHBondContact O-N 3.32Å; M541-S544 PolarHBondContact O-N 3.14Å; M541-E545 PolarHBondContact O-N 3.13Å |
| 542 | F | 47.6 | Very low | 49.6 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 69% | 0.693 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.5 | -25.5 | 177.3 | -85.3 | -73.6 | 0 | 0 | 0 | 114 | A538 | A538-F542 WeakPolarHBondContact O-CD2 3.44Å; A538-F542 PolarHBondContact O-N 3.26Å; A538-F542 VanDerWaalsContact O-N 3.13Å |
| 543 | S | 47.5 | Very low | 50 | Low | 78 Ų | 78 | 131.3 Ų | 131.3 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -77.5 | -26.4 | 173.8 | -170.8 | 0 | 0 | 0 | 0 | 113.1 | E539 M541 | E539-S543 PolarHBondContact O-N 3.4Å; E539-S543 VanDerWaalsContact O-N 3.14Å; M541-S543 VanDerWaalsContact C-N 3.32Å; M541-S543 PolarHBondContact O-N 3.32Å |
| 544 | S | 47.4 | Very low | 50.1 | Low | 94 Ų | 94 | 135.5 Ų | 135.5 | 66% | 0.657 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -82.4 | -20.4 | -178.9 | -149.8 | 0 | 0 | 0 | 0 | 112.9 | K540 M541 K546 | K540-S544 PolarHBondContact O-N 3.25Å; M541-S544 PolarHBondContact O-N 3.14Å; S544-K546 VanDerWaalsContact C-N 3.29Å |
| 545 | E | 47.8 | Very low | 50.1 | Low | 158 Ų | 158 | 131.1 Ų | 131.1 | 74% | 0.738 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -5.4 | 176.6 | -156.5 | 168.5 | 168.3 | 0 | 0 | 113.3 | M541 | M541-E545 PolarHBondContact O-N 3.13Š|
| 546 | K | 45.9 | Very low | 50 | Low | 190 Ų | 190 | 136.2 Ų | 136.2 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 1 | 176.1 | -99.8 | -177.5 | 179.6 | 178.5 | 0 | 115 | S544 | S544-K546 VanDerWaalsContact C-N 3.29Š|
| 547 | I | 49.5 | Very low | 50 | Low | 149 Ų | 149 | 138.5 Ų | 138.5 | 76% | 0.764 | 70% | 0.699 | S | S | * | * | trans | -126.2 | 31.9 | -177.8 | -39.8 | -178.1 | 0 | 0 | 0 | 111.9 | ||||
| 548 | M | 43.1 | Very low | 49.3 | Very low | 243 Ų | 243 | 141.8 Ų | 141.8 | 100% | 1.197 | 72% | 0.715 | S | S | * | * | trans | -123.6 | 0 | 163.5 | -155.8 | 176 | 78.4 | 0 | 0 | 111.5 |
Retrieved 548 of 548 residues in 690.9 ms
(Link to these results)