| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.8 | Very low | 46.6 | Very low | 229 Ų | 229 | 119.5 Ų | 119.5 | 100% | 1.128 | 62% | 0.616 | S | S | * | * | 0 | 117.8 | 0 | -91.7 | -177.8 | -87.3 | 0 | 0 | 106.8 | D3 | M1-D3 PolarHBondContact O-N 2.92Š| |||
| 2 | V | 33.2 | Very low | 46.6 | Very low | 131 Ų | 131 | 112.1 Ų | 112.1 | 79% | 0.794 | 59% | 0.591 | S | S | * | * | trans | -89.6 | 100.9 | 176.3 | -175.8 | 0 | 0 | 0 | 0 | 105.9 | S4 | V2-S4 PolarHBondContact O-N 3.02Å; V2-S4 PolarHBondContact O-OG 3.35Å | ||
| 3 | D | 32.6 | Very low | 45.9 | Very low | 151 Ų | 151 | 114.7 Ų | 114.7 | 81% | 0.807 | 61% | 0.613 | S | S | * | * | trans | -68.6 | 70.2 | 173.1 | -76.6 | -24.9 | 0 | 0 | 0 | 109.8 | M1 V5 | M1-D3 PolarHBondContact O-N 2.92Å; D3-V5 PolarHBondContact O-N 2.98Å | ||
| 4 | S | 43.2 | Very low | 46.2 | Very low | 100 Ų | 100 | 108.2 Ų | 108.2 | 70% | 0.699 | 58% | 0.584 | S | S | * | * | trans | -88.6 | 88.1 | 171.9 | 44 | 0 | 0 | 0 | 0 | 107.9 | V2 Y6 | V2-S4 PolarHBondContact O-N 3.02Å; V2-S4 PolarHBondContact O-OG 3.35Å; S4-Y6 PolarHBondContact O-N 2.84Å | ||
| 5 | V | 53.8 | Low | 46.5 | Very low | 114 Ų | 114 | 103.1 Ų | 103.1 | 69% | 0.691 | 56% | 0.563 | S | S | * | * | trans | -64 | 115.8 | 170.7 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | D3 R7 | D3-V5 PolarHBondContact O-N 2.98Å; V5-R7 HydrophobicContact CG1-CG 4.2Å; V5-R7 PolarHBondContact O-N 3.34Å | ||
| 6 | Y | 50.2 | Low | 46.6 | Very low | 138 Ų | 138 | 107.3 Ų | 107.3 | 54% | 0.541 | 58% | 0.577 | S | S | . | * | trans | -67.4 | 102.9 | 172.6 | -167.6 | -84.9 | 0 | 0 | 0 | 108.7 | S4 S208 R242 | S4-Y6 PolarHBondContact O-N 2.84Å; Y6-S208 PolarHBondContact OH-OG 2.95Å; Y6-R242 VanDerWaalsContact CZ-NH1 3.33Å | ||
| 7 | R | 57.3 | Low | 46.9 | Very low | 140 Ų | 140 | 104.8 Ų | 104.8 | 53% | 0.528 | 58% | 0.582 | S | S | . | * | trans | -91.4 | 131.8 | 174.4 | -66.5 | -174.4 | 178.2 | 172.8 | -1.2 | 109.5 | V5 R9 R242 | V5-R7 HydrophobicContact CG1-CG 4.2Å; V5-R7 PolarHBondContact O-N 3.34Å; R7-R9 PolarHBondContact O-N 2.87Å; R7-R242 PolarHBondContact O-NH1 3.44Å | ||
| 8 | T | 54.6 | Low | 47.5 | Very low | 63 Ų | 63 | 100.3 Ų | 100.3 | 39% | 0.387 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -72.7 | -13.6 | 176.5 | 51.6 | 0 | 0 | 0 | 0 | 112.8 | M218 S244 | T8-M218 HydrophobicContact CG2-CE 3.51Å; T8-S244 PolarHBondContact O-OG 3.21Å |
| 9 | R | 55.2 | Low | 48.4 | Very low | 102 Ų | 102 | 97 Ų | 97 | 39% | 0.385 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -161.7 | 165 | 179.2 | 61.1 | -178.8 | -176.5 | -156.1 | 2.8 | 112.3 | R7 P19 | R7-R9 PolarHBondContact O-N 2.87Å; R9-P19 VanDerWaalsContact NH1-CG 3.35Å |
| 10 | S | 50 | Low | 49.6 | Very low | 26 Ų | 26 | 92.8 Ų | 92.8 | 18% | 0.182 | 52% | 0.517 | C | S | . | . | trans | -67.3 | 152.3 | 167.5 | -67.1 | 0 | 0 | 0 | 0 | 111.8 | D24 | S10-D24 WeakPolarHBondContact CB-OD2 3.15Å; S10-D24 PolarHBondContact OG-OD2 3.29Å | ||
| 11 | L | 48.2 | Very low | 50.9 | Low | 120 Ų | 120 | 89.2 Ų | 89.2 | 63% | 0.628 | 50% | 0.496 | S | S | * | . | trans | -86.2 | 126 | -179.7 | -70.3 | 178.6 | 0 | 0 | 0 | 110.7 | ||||
| 12 | G | 46.7 | Very low | 52.8 | Low | 31 Ų | 31 | 79.7 Ų | 79.7 | 32% | 0.32 | 45% | 0.448 | S | S | . | . | trans | -176.1 | 151.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 13 | V | 37.8 | Very low | 54.7 | Low | 146 Ų | 146 | 74.8 Ų | 74.8 | 89% | 0.885 | 42% | 0.421 | S | S | * | . | trans | -103.8 | 120.3 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 14 | A | 49.6 | Very low | 56.5 | Low | 24 Ų | 24 | 71 Ų | 71 | 20% | 0.198 | 40% | 0.4 | C | S | . | . | trans | -94.6 | -175.9 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | L18 D20 | A14-L18 WeakPolarHBondContact CB-O 3.47Å; A14-D20 HydrophobicContact CB-CB 3.47Å; A14-D20 VanDerWaalsContact CB-CB 3.47Å | ||
| 15 | A | 49.9 | Very low | 57.7 | Low | 32 Ų | 32 | 67.3 Ų | 67.3 | 26% | 0.264 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -40.8 | 151.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G17 L18 | A15-G17 PolarHBondContact O-N 3.45Å; A15-L18 PolarHBondContact O-N 3.25Å |
| 16 | E | 49.3 | Very low | 58.7 | Low | 170 Ų | 170 | 64.5 Ų | 64.5 | 79% | 0.794 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.9 | 118.7 | -171 | -69.5 | -174 | 166.6 | 0 | 0 | 113.6 | L18 N117 | E16-L18 PolarHBondContact O-N 3.25Å; E16-N117 PolarHBondContact O-ND2 3.26Å; E16-N117 VanDerWaalsContact O-ND2 3.12Å |
| 17 | G | 51.6 | Low | 59.8 | Low | 64 Ų | 64 | 58 Ų | 58 | 66% | 0.66 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | -7.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | A15 | A15-G17 PolarHBondContact O-N 3.45Š|
| 18 | L | 56.7 | Low | 60.5 | Low | 24 Ų | 24 | 51.4 Ų | 51.4 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | trans | -119.1 | 123.4 | 172.1 | -113.8 | 126.9 | 0 | 0 | 0 | 111.2 | A14 A15 E16 D20 N117 M119 L146 | A14-L18 WeakPolarHBondContact CB-O 3.47Å; A15-L18 PolarHBondContact O-N 3.25Å; E16-L18 PolarHBondContact O-N 3.25Å; L18-D20 PolarHBondContact O-N 3.24Å; L18-N117 WeakPolarHBondContact CD1-OD1 3.38Å; L18-M119 HydrophobicContact CD1-CG 4.02Å; L18-L146 HydrophobicContact CD1-CD1 3.79Å; L18-L146 HydrophobicContact CD2-CD1 4.19Å; L18-L146 HydrophobicContact CG-CD1 3.92Å | ||
| 19 | P | 64.9 | Low | 61.5 | Low | 38 Ų | 38 | 53.6 Ų | 53.6 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | trans | -71.3 | 124.5 | 168.1 | -23.7 | 38.2 | 0 | 0 | 0 | 110.5 | R9 Q21 | R9-P19 VanDerWaalsContact NH1-CG 3.35Å; P19-Q21 PolarHBondContact O-N 2.9Å | ||
| 20 | D | 72.9 | Confident | 62.4 | Low | 13 Ų | 13 | 48.8 Ų | 48.8 | 7% | 0.07 | 29% | 0.291 | C | S | . | . | trans | -79.5 | 111.6 | 179.4 | -176.5 | 10.9 | 0 | 0 | 0 | 110.2 | A14 L18 Y22 A23 S88 | A14-D20 HydrophobicContact CB-CB 3.47Å; A14-D20 VanDerWaalsContact CB-CB 3.47Å; L18-D20 PolarHBondContact O-N 3.24Å; D20-Y22 PolarHBondContact O-N 3.48Å; D20-Y22 WeakPolarHBondContact OD1-CA 3.49Å; D20-Y22 VanDerWaalsContact OD1-CB 3.27Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.14Å; D20-Y22 WeakPolarHBondContact OD1-CD2 3.2Å; D20-Y22 PolarHBondContact OD1-N 3.15Å; D20-A23 HydrophobicContact CB-CB 3.91Å; D20-A23 WeakPolarHBondContact O-CB 3.49Å; D20-A23 PolarHBondContact O-N 3.05Å; D20-A23 PolarHBondContact OD2-N 2.68Å; D20-S88 PolarHBondContact OD1-OG 3.48Å; D20-S88 PolarHBondContact OD2-OG 3.25Å | ||
| 21 | Q | 76.9 | Confident | 63.4 | Low | 17 Ų | 17 | 48.5 Ų | 48.5 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.6 | 175.3 | -61 | -168.6 | 61.3 | 0 | 0 | 112.9 | P19 H145 L243 S244 | P19-Q21 PolarHBondContact O-N 2.9Å; Q21-H145 PolarHBondContact NE2-ND1 3.36Å; Q21-H145 PolarHBondContact NE2-O 2.94Å; Q21-L243 HydrophobicContact CB-CD2 4.21Å; Q21-S244 PolarHBondContact NE2-O 3.41Å; Q21-S244 PolarHBondContact OE1-O 3.32Å |
| 22 | Y | 75.3 | Confident | 64.4 | Low | 30 Ų | 30 | 48 Ų | 48 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -1.6 | 180 | -54.8 | -77.5 | 0 | 0 | 0 | 113.4 | D20 D24 G25 A27 S88 K90 M91 H145 L243 | D20-Y22 PolarHBondContact O-N 3.48Å; D20-Y22 WeakPolarHBondContact OD1-CA 3.49Å; D20-Y22 VanDerWaalsContact OD1-CB 3.27Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.14Å; D20-Y22 WeakPolarHBondContact OD1-CD2 3.2Å; D20-Y22 PolarHBondContact OD1-N 3.15Å; Y22-D24 PolarHBondContact O-N 2.95Å; Y22-G25 WeakPolarHBondContact O-CA 3.22Å; Y22-G25 PolarHBondContact O-N 3.36Å; Y22-A27 HydrophobicContact CD1-CB 3.75Å; Y22-A27 HydrophobicContact CE1-CB 4.29Å; Y22-S88 WeakPolarHBondContact CB-OG 3.19Å; Y22-K90 WeakPolarHBondContact O-CG 3.27Å; Y22-M91 HydrophobicContact CD1-CG 4.34Å; Y22-M91 HydrophobicContact CD1-SD 4.13Å; Y22-M91 HydrophobicContact CD2-CG 4.29Å; Y22-M91 HydrophobicContact CE1-SD 4.5Å; Y22-M91 HydrophobicContact CG-CG 4.04Å; Y22-M91 HydrophobicContact CG-SD 4.42Å; Y22-H145 AromaticContact CZ-CE1 3.9Å; Y22-H145 PolarHBondContact OH-CE1 3.31Å; Y22-H145 PolarHBondContact OH-NE2 2.8Å; Y22-L243 HydrophobicContact CD1-CD2 4.44Å; Y22-L243 HydrophobicContact CE1-CD1 4.38Å; Y22-L243 HydrophobicContact CE1-CD2 3.95Å |
| 23 | A | 71.8 | Confident | 65.5 | Low | 27 Ų | 27 | 48.8 Ų | 48.8 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D20 G25 | D20-A23 HydrophobicContact CB-CB 3.91Å; D20-A23 WeakPolarHBondContact O-CB 3.49Å; D20-A23 PolarHBondContact O-N 3.05Å; D20-A23 PolarHBondContact OD2-N 2.68Å; A23-G25 PolarHBondContact O-N 2.86Å |
| 24 | D | 70.9 | Confident | 67 | Low | 72 Ų | 72 | 42.3 Ų | 42.3 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -11.8 | 173 | 70 | 11.1 | 0 | 0 | 0 | 112.9 | S10 Y22 E26 | S10-D24 WeakPolarHBondContact CB-OD2 3.15Å; S10-D24 PolarHBondContact OG-OD2 3.29Å; Y22-D24 PolarHBondContact O-N 2.95Å; D24-E26 PolarHBondContact O-N 3.29Å; D24-E26 PolarHBondContact OD1-N 2.74Å |
| 25 | G | 68.9 | Low | 67.7 | Low | 22 Ų | 22 | 41.2 Ų | 41.2 | 23% | 0.227 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 69.8 | -8.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y22 A23 A28 R29 | Y22-G25 WeakPolarHBondContact O-CA 3.22Å; Y22-G25 PolarHBondContact O-N 3.36Å; A23-G25 PolarHBondContact O-N 2.86Å; G25-A28 PolarHBondContact O-N 3.49Å; G25-R29 VanDerWaalsContact O-CB 3.25Å; G25-R29 WeakPolarHBondContact O-CB 3.15Å; G25-R29 PolarHBondContact O-N 3.15Å |
| 26 | E | 74.1 | Confident | 68.4 | Low | 55 Ų | 55 | 40.8 Ų | 40.8 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -73.7 | -45.3 | -176.8 | -178.4 | 60.2 | -170.7 | 0 | 0 | 110.1 | D24 A28 R29 V30 S239 | D24-E26 PolarHBondContact O-N 3.29Å; D24-E26 PolarHBondContact OD1-N 2.74Å; E26-A28 VanDerWaalsContact C-N 3.3Å; E26-A28 PolarHBondContact O-N 3.23Å; E26-R29 PolarHBondContact O-N 3.12Å; E26-R29 IonicContact OE1-CZ 2.68Å; E26-R29 IonicContact OE1-NE 2.76Å; E26-R29 IonicContact OE1-NH2 3.41Å; E26-R29 PolarHBondContact OE1-NH2 2.91Å; E26-R29 IonicContact OE2-CZ 2.64Å; E26-R29 IonicContact OE2-NE 3.5Å; E26-R29 PolarHBondContact OE2-NE 3.27Å; E26-R29 IonicContact OE2-NH2 3.49Å; E26-R29 PolarHBondContact OE2-NH2 3.3Å; E26-V30 WeakPolarHBondContact O-CG2 2.95Å; E26-V30 PolarHBondContact O-N 3.47Å; E26-V30 WeakPolarHBondContact OE1-CG2 3.5Å; E26-S239 WeakPolarHBondContact OE1-CB 3.21Å; E26-S239 PolarHBondContact OE1-OG 2.83Å |
| 27 | A | 72.2 | Confident | 69.2 | Low | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.7 | -47 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y22 R29 V30 W31 F241 | Y22-A27 HydrophobicContact CD1-CB 3.75Å; Y22-A27 HydrophobicContact CE1-CB 4.29Å; A27-R29 PolarHBondContact O-N 3.24Å; A27-V30 PolarHBondContact O-N 2.82Å; A27-W31 WeakPolarHBondContact O-CA 3.36Å; A27-W31 WeakPolarHBondContact O-CB 3.2Å; A27-W31 PolarHBondContact O-N 2.77Å; A27-F241 HydrophobicContact CB-CB 4.48Å; A27-F241 HydrophobicContact CB-CD2 3.99Å; A27-F241 HydrophobicContact CB-CG 4.32Å |
| 28 | A | 73.3 | Confident | 70 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -38.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G25 E26 W31 K90 M91 Y94 | G25-A28 PolarHBondContact O-N 3.49Å; E26-A28 VanDerWaalsContact C-N 3.3Å; E26-A28 PolarHBondContact O-N 3.23Å; A28-W31 WeakPolarHBondContact O-CB 3.19Å; A28-W31 PolarHBondContact O-N 3.41Å; A28-K90 HydrophobicContact CB-CB 3.98Å; A28-M91 HydrophobicContact CB-SD 3.87Å; A28-Y94 HydrophobicContact CB-CE2 4.04Å |
| 29 | R | 75.8 | Confident | 70.6 | Confident | 110 Ų | 110 | 46.2 Ų | 46.2 | 42% | 0.415 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65 | -43.2 | 177.3 | -173.6 | -169.5 | 71.6 | 78.5 | -2.6 | 111.8 | G25 E26 A27 | G25-R29 VanDerWaalsContact O-CB 3.25Å; G25-R29 WeakPolarHBondContact O-CB 3.15Å; G25-R29 PolarHBondContact O-N 3.15Å; E26-R29 PolarHBondContact O-N 3.12Å; E26-R29 IonicContact OE1-CZ 2.68Å; E26-R29 IonicContact OE1-NE 2.76Å; E26-R29 IonicContact OE1-NH2 3.41Å; E26-R29 PolarHBondContact OE1-NH2 2.91Å; E26-R29 IonicContact OE2-CZ 2.64Å; E26-R29 IonicContact OE2-NE 3.5Å; E26-R29 PolarHBondContact OE2-NE 3.27Å; E26-R29 IonicContact OE2-NH2 3.49Å; E26-R29 PolarHBondContact OE2-NH2 3.3Å; A27-R29 PolarHBondContact O-N 3.24Å |
| 30 | V | 73.8 | Confident | 70.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -88.6 | -12 | -177.4 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | E26 A27 Q32 L33 Y34 V225 F241 | E26-V30 WeakPolarHBondContact O-CG2 2.95Å; E26-V30 PolarHBondContact O-N 3.47Å; E26-V30 WeakPolarHBondContact OE1-CG2 3.5Å; A27-V30 PolarHBondContact O-N 2.82Å; V30-Q32 VanDerWaalsContact C-N 3.26Å; V30-Q32 PolarHBondContact O-N 3.16Å; V30-L33 HydrophobicContact CG1-CB 4.19Å; V30-L33 HydrophobicContact CG1-CD1 4.36Å; V30-L33 CarbonylContact O-C 3.59Å; V30-L33 WeakPolarHBondContact O-CA 3.4Å; V30-L33 WeakPolarHBondContact O-CB 3.46Å; V30-L33 PolarHBondContact O-N 3.32Å; V30-Y34 PolarHBondContact O-N 2.64Å; V30-V225 HydrophobicContact CG1-CB 3.84Å; V30-V225 HydrophobicContact CG1-CG1 3.82Å; V30-V225 HydrophobicContact CG1-CG2 4.15Å; V30-F241 HydrophobicContact CG1-CE1 4.23Å |
| 31 | W | 70.7 | Confident | 70.8 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 8% | 0.076 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.5 | -39.5 | -176.6 | -159.2 | 85 | 0 | 0 | 0 | 113 | A27 A28 L33 Y34 I35 T68 V70 M91 | A27-W31 WeakPolarHBondContact O-CA 3.36Å; A27-W31 WeakPolarHBondContact O-CB 3.2Å; A27-W31 PolarHBondContact O-N 2.77Å; A28-W31 WeakPolarHBondContact O-CB 3.19Å; A28-W31 PolarHBondContact O-N 3.41Å; W31-L33 VanDerWaalsContact C-N 3.3Å; W31-L33 PolarHBondContact O-N 2.77Å; W31-Y34 PolarHBondContact O-N 3.02Å; W31-I35 HydrophobicContact CD2-CD1 3.82Å; W31-I35 HydrophobicContact CD2-CG1 4.06Å; W31-I35 HydrophobicContact CE3-CD1 3.42Å; W31-I35 VanDerWaalsContact CE3-CD1 3.42Å; W31-I35 HydrophobicContact CE3-CG1 3.92Å; W31-I35 HydrophobicContact CH2-CD1 3.08Å; W31-I35 HydrophobicContact CH2-CG1 4.27Å; W31-I35 HydrophobicContact CZ2-CD1 3.47Å; W31-I35 VanDerWaalsContact CZ2-CD1 3.47Å; W31-I35 HydrophobicContact CZ2-CG1 4.34Å; W31-I35 HydrophobicContact CZ3-CD1 2.96Å; W31-I35 HydrophobicContact CZ3-CG1 3.96Å; W31-I35 PolarHBondContact O-N 3.28Å; W31-T68 HydrophobicContact CD2-CG2 4.02Å; W31-T68 HydrophobicContact CE3-CG2 3.37Å; W31-T68 HydrophobicContact CH2-CG2 4.17Å; W31-T68 WeakPolarHBondContact CH2-OG1 3.39Å; W31-T68 HydrophobicContact CZ3-CG2 3.51Å; W31-T68 WeakPolarHBondContact CZ3-OG1 3.24Å; W31-V70 HydrophobicContact CH2-CG2 3.96Å; W31-V70 HydrophobicContact CZ3-CG2 3.72Å; W31-M91 HydrophobicContact CD2-CE 3.75Å; W31-M91 VanDerWaalsContact CE2-CE 3.42Å; W31-M91 HydrophobicContact CE3-CE 4.45Å; W31-M91 HydrophobicContact CG-CE 3.92Å; W31-M91 HydrophobicContact CG-SD 4.44Å; W31-M91 HydrophobicContact CH2-CE 4.39Å; W31-M91 HydrophobicContact CZ2-CE 3.73Å |
| 32 | Q | 69.6 | Low | 70.7 | Confident | 109 Ų | 109 | 46.4 Ų | 46.4 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.7 | -37.7 | 174.9 | -66.9 | -174.1 | -21.6 | 0 | 0 | 112 | V30 G36 | V30-Q32 VanDerWaalsContact C-N 3.26Å; V30-Q32 PolarHBondContact O-N 3.16Å; Q32-G36 PolarHBondContact O-N 3.13Å |
| 33 | L | 70.4 | Confident | 70.9 | Confident | 49 Ų | 49 | 48.3 Ų | 48.3 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -72.2 | -35.5 | 174.2 | -60.2 | 175.2 | 0 | 0 | 0 | 111.6 | V30 W31 G36 S199 L201 V225 V227 | V30-L33 HydrophobicContact CG1-CB 4.19Å; V30-L33 HydrophobicContact CG1-CD1 4.36Å; V30-L33 CarbonylContact O-C 3.59Å; V30-L33 WeakPolarHBondContact O-CA 3.4Å; V30-L33 WeakPolarHBondContact O-CB 3.46Å; V30-L33 PolarHBondContact O-N 3.32Å; W31-L33 VanDerWaalsContact C-N 3.3Å; W31-L33 PolarHBondContact O-N 2.77Å; L33-G36 PolarHBondContact O-N 2.73Å; L33-S199 WeakPolarHBondContact O-CB 3.3Å; L33-S199 PolarHBondContact O-OG 2.95Å; L33-L201 HydrophobicContact CB-CD1 4.09Å; L33-L201 HydrophobicContact CD2-CD1 3.87Å; L33-V225 HydrophobicContact CB-CG1 4.18Å; L33-V227 HydrophobicContact CD1-CB 4.36Å; L33-V227 HydrophobicContact CD1-CG1 3.96Å; L33-V227 HydrophobicContact CD1-CG2 4Å |
| 34 | Y | 67.6 | Low | 71.2 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.7 | -41.8 | 179.6 | 174.9 | -116.1 | 0 | 0 | 0 | 112.7 | V30 W31 G36 Y197 S199 T202 Y223 V225 F241 | V30-Y34 PolarHBondContact O-N 2.64Å; W31-Y34 PolarHBondContact O-N 3.02Å; Y34-G36 VanDerWaalsContact C-N 3.26Å; Y34-G36 PolarHBondContact O-N 3.37Å; Y34-Y197 AromaticContact CD1-CD1 3.4Å; Y34-Y197 HydrophobicContact CD1-CD1 3.4Å; Y34-Y197 AromaticContact CD1-CE1 3.74Å; Y34-Y197 HydrophobicContact CD1-CE1 3.74Å; Y34-Y197 HydrophobicContact CD1-CG 4.21Å; Y34-Y197 AromaticContact CE1-CD1 3.07Å; Y34-Y197 HydrophobicContact CE1-CD1 3.07Å; Y34-Y197 HydrophobicContact CE1-CD2 4.15Å; Y34-Y197 AromaticContact CE1-CE1 3.43Å; Y34-Y197 HydrophobicContact CE1-CE1 3.43Å; Y34-Y197 VanDerWaalsContact CE1-CE1 3.43Å; Y34-Y197 HydrophobicContact CE1-CE2 4.41Å; Y34-Y197 AromaticContact CE1-CG 3.51Å; Y34-Y197 HydrophobicContact CE1-CG 3.51Å; Y34-Y197 HydrophobicContact CG-CD1 4.33Å; Y34-Y197 AromaticContact CZ-CD1 3.78Å; Y34-Y197 AromaticContact CZ-CG 3.73Å; Y34-S199 WeakPolarHBondContact O-CB 3.18Å; Y34-T202 HydrophobicContact CD2-CG2 4.46Å; Y34-T202 WeakPolarHBondContact CD2-OG1 3.43Å; Y34-T202 HydrophobicContact CE2-CG2 4.25Å; Y34-Y223 HydrophobicContact CD2-CD1 4.32Å; Y34-Y223 HydrophobicContact CE1-CE1 4.41Å; Y34-Y223 AromaticContact CE2-CD1 3.59Å; Y34-Y223 HydrophobicContact CE2-CD1 3.59Å; Y34-Y223 AromaticContact CE2-CE1 3.79Å; Y34-Y223 HydrophobicContact CE2-CE1 3.79Å; Y34-Y223 AromaticContact CZ-CD1 3.85Å; Y34-Y223 AromaticContact CZ-CE1 3.56Å; Y34-Y223 WeakPolarHBondContact OH-CE1 3.16Å; Y34-V225 HydrophobicContact CD2-CG2 4.24Å; Y34-F241 HydrophobicContact CD1-CZ 4.32Å; Y34-F241 HydrophobicContact CD2-CZ 4.35Å; Y34-F241 HydrophobicContact CG-CZ 4.06Å |
| 35 | I | 64.4 | Low | 72.1 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -38.1 | 169.1 | -72.1 | -163.8 | 0 | 0 | 0 | 111 | W31 T38 R41 V70 Y197 | W31-I35 HydrophobicContact CD2-CD1 3.82Å; W31-I35 HydrophobicContact CD2-CG1 4.06Å; W31-I35 HydrophobicContact CE3-CD1 3.42Å; W31-I35 VanDerWaalsContact CE3-CD1 3.42Å; W31-I35 HydrophobicContact CE3-CG1 3.92Å; W31-I35 HydrophobicContact CH2-CD1 3.08Å; W31-I35 HydrophobicContact CH2-CG1 4.27Å; W31-I35 HydrophobicContact CZ2-CD1 3.47Å; W31-I35 VanDerWaalsContact CZ2-CD1 3.47Å; W31-I35 HydrophobicContact CZ2-CG1 4.34Å; W31-I35 HydrophobicContact CZ3-CD1 2.96Å; W31-I35 HydrophobicContact CZ3-CG1 3.96Å; W31-I35 PolarHBondContact O-N 3.28Å; I35-T38 HydrophobicContact CG2-CG2 3.85Å; I35-R41 HydrophobicContact CG2-CB 4.48Å; I35-V70 HydrophobicContact CD1-CG2 4.12Å; I35-Y197 HydrophobicContact CB-CD1 4.4Å; I35-Y197 HydrophobicContact CD1-CD1 4.38Å; I35-Y197 HydrophobicContact CD1-CE1 3.99Å; I35-Y197 HydrophobicContact CG1-CD1 3.5Å; I35-Y197 VanDerWaalsContact CG1-CD1 3.5Å; I35-Y197 HydrophobicContact CG1-CE1 3.5Å |
| 36 | G | 64.9 | Low | 73.2 | Confident | 23 Ų | 23 | 49.4 Ų | 49.4 | 24% | 0.237 | 25% | 0.249 | C | C | . | . | trans | 72.4 | -138 | -171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q32 L33 Y34 T38 | Q32-G36 PolarHBondContact O-N 3.13Å; L33-G36 PolarHBondContact O-N 2.73Å; Y34-G36 VanDerWaalsContact C-N 3.26Å; Y34-G36 PolarHBondContact O-N 3.37Å; G36-T38 PolarHBondContact O-N 2.75Å | ||
| 37 | N | 66.9 | Low | 74.1 | Confident | 102 Ų | 102 | 50.6 Ų | 50.6 | 55% | 0.545 | 27% | 0.269 | S | S | . | . | trans | -71.3 | 102.8 | -178.6 | -173.6 | -20.4 | 0 | 0 | 0 | 111 | R39 S40 R41 | N37-R39 PolarHBondContact O-N 2.92Å; N37-R39 VanDerWaalsContact O-N 3.15Å; N37-R39 WeakPolarHBondContact OD1-CB 3.48Å; N37-R39 PolarHBondContact OD1-N 2.83Å; N37-S40 WeakPolarHBondContact O-CA 3.02Å; N37-S40 WeakPolarHBondContact O-CB 3.46Å; N37-S40 PolarHBondContact O-N 3.33Å; N37-S40 PolarHBondContact OD1-N 3.27Å; N37-R41 PolarHBondContact O-N 3.18Å; N37-R41 VanDerWaalsContact O-N 3.14Å | ||
| 38 | T | 67.6 | Low | 75.3 | Confident | 63 Ų | 63 | 53.2 Ų | 53.2 | 39% | 0.387 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55.5 | -30 | 179 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | I35 G36 R41 T42 V70 | I35-T38 HydrophobicContact CG2-CG2 3.85Å; G36-T38 PolarHBondContact O-N 2.75Å; T38-R41 PolarHBondContact O-N 3.29Å; T38-T42 PolarHBondContact O-N 3.19Å; T38-T42 VanDerWaalsContact O-N 3.14Å; T38-T42 PolarHBondContact O-OG1 3.27Å; T38-V70 HydrophobicContact CG2-CG1 4.18Å; T38-V70 HydrophobicContact CG2-CG2 3.72Å |
| 39 | R | 69.8 | Low | 76.4 | Confident | 207 Ų | 207 | 53.2 Ų | 53.2 | 78% | 0.781 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -71.1 | -33.2 | 174.5 | -54.7 | -174.6 | -163.8 | -162.3 | 2.3 | 112.4 | N37 T42 A43 | N37-R39 PolarHBondContact O-N 2.92Å; N37-R39 VanDerWaalsContact O-N 3.15Å; N37-R39 WeakPolarHBondContact OD1-CB 3.48Å; N37-R39 PolarHBondContact OD1-N 2.83Å; R39-T42 PolarHBondContact O-OG1 3.1Å; R39-A43 WeakPolarHBondContact O-CB 2.97Å; R39-A43 PolarHBondContact O-N 3.15Å; R39-A43 VanDerWaalsContact O-N 3.13Å |
| 40 | S | 69.9 | Low | 77.5 | Confident | 51 Ų | 51 | 48.3 Ų | 48.3 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -73.1 | -32.8 | 176.2 | -173.7 | 0 | 0 | 0 | 0 | 112 | N37 | N37-S40 WeakPolarHBondContact O-CA 3.02Å; N37-S40 WeakPolarHBondContact O-CB 3.46Å; N37-S40 PolarHBondContact O-N 3.33Å; N37-S40 PolarHBondContact OD1-N 3.27Å |
| 41 | R | 72.6 | Confident | 78.6 | Confident | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.019 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -58.9 | 170.7 | 169.8 | -176.1 | 177 | 128.5 | -10.1 | 110.4 | I35 N37 T38 A43 E44 Y45 D71 Y196 Y197 | I35-R41 HydrophobicContact CG2-CB 4.48Å; N37-R41 PolarHBondContact O-N 3.18Å; N37-R41 VanDerWaalsContact O-N 3.14Å; T38-R41 PolarHBondContact O-N 3.29Å; R41-A43 VanDerWaalsContact C-N 3.26Å; R41-A43 PolarHBondContact O-N 3.36Å; R41-E44 PolarHBondContact O-N 3.39Å; R41-Y45 HydrophobicContact CG-CE1 3.93Å; R41-Y45 PolarHBondContact NE-OH 2.76Å; R41-Y45 VanDerWaalsContact O-CE1 3.31Å; R41-Y45 WeakPolarHBondContact O-CE1 3.23Å; R41-D71 IonicContact NH2-OD2 2.72Å; R41-D71 PolarHBondContact NH2-OD2 3.14Å; R41-Y196 WeakPolarHBondContact CD-O 3.25Å; R41-Y196 VanDerWaalsContact CG-O 3.24Å; R41-Y196 WeakPolarHBondContact CG-O 3.43Å; R41-Y196 PolarHBondContact NH1-O 3.46Å; R41-Y197 VanDerWaalsContact NH1-CZ 3.31Å |
| 42 | T | 74.6 | Confident | 79.9 | Confident | 16 Ų | 16 | 50 Ų | 50 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.4 | -32.2 | -174.4 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | T38 R39 E44 Y45 K46 V70 M74 | T38-T42 PolarHBondContact O-N 3.19Å; T38-T42 VanDerWaalsContact O-N 3.14Å; T38-T42 PolarHBondContact O-OG1 3.27Å; R39-T42 PolarHBondContact O-OG1 3.1Å; T42-E44 PolarHBondContact O-N 3.04Å; T42-Y45 PolarHBondContact O-N 2.68Å; T42-Y45 VanDerWaalsContact O-N 3.16Å; T42-K46 WeakPolarHBondContact O-CA 3.37Å; T42-K46 WeakPolarHBondContact O-CB 3.37Å; T42-K46 PolarHBondContact O-N 2.87Å; T42-V70 HydrophobicContact CG2-CG1 4.04Å; T42-M74 HydrophobicContact CG2-CB 4.26Å; T42-M74 HydrophobicContact CG2-CG 4.4Å; T42-M74 HydrophobicContact CG2-SD 3.85Å |
| 43 | A | 80.3 | Confident | 81.3 | Confident | 70 Ų | 70 | 44.9 Ų | 44.9 | 58% | 0.579 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -53.4 | -28.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R39 R41 | R39-A43 WeakPolarHBondContact O-CB 2.97Å; R39-A43 PolarHBondContact O-N 3.15Å; R39-A43 VanDerWaalsContact O-N 3.13Å; R41-A43 VanDerWaalsContact C-N 3.26Å; R41-A43 PolarHBondContact O-N 3.36Å |
| 44 | E | 77.8 | Confident | 82.6 | Confident | 86 Ų | 86 | 49.1 Ų | 49.1 | 40% | 0.402 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72.4 | -37.5 | -179.6 | -69.6 | -155.6 | 148.5 | 0 | 0 | 114.1 | R41 T42 I195 K198 | R41-E44 PolarHBondContact O-N 3.39Å; T42-E44 PolarHBondContact O-N 3.04Å; E44-I195 WeakPolarHBondContact OE2-CA 3.39Å; E44-I195 WeakPolarHBondContact OE2-CB 3.34Å; E44-K198 WeakPolarHBondContact OE1-CE 3.39Å; E44-K198 IonicContact OE1-NZ 3.54Å; E44-K198 PolarHBondContact OE1-NZ 2.84Å; E44-K198 WeakPolarHBondContact OE2-CE 3.34Å; E44-K198 IonicContact OE2-NZ 3.09Å |
| 45 | Y | 89.2 | Confident | 84 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -120.6 | -8.3 | -172.8 | 65.9 | -91.4 | 0 | 0 | 0 | 113.8 | R41 T42 A47 W48 L49 D71 M74 Y196 F273 | R41-Y45 HydrophobicContact CG-CE1 3.93Å; R41-Y45 PolarHBondContact NE-OH 2.76Å; R41-Y45 VanDerWaalsContact O-CE1 3.31Å; R41-Y45 WeakPolarHBondContact O-CE1 3.23Å; T42-Y45 PolarHBondContact O-N 2.68Å; T42-Y45 VanDerWaalsContact O-N 3.16Å; Y45-A47 VanDerWaalsContact C-N 3.3Å; Y45-A47 PolarHBondContact O-N 3.41Å; Y45-W48 CarbonylContact O-C 3.47Å; Y45-W48 WeakPolarHBondContact O-CA 3.45Å; Y45-W48 WeakPolarHBondContact O-CB 3.36Å; Y45-W48 PolarHBondContact O-N 2.75Å; Y45-L49 HydrophobicContact CD2-CB 4.27Å; Y45-L49 HydrophobicContact CD2-CD2 4.32Å; Y45-L49 HydrophobicContact CE2-CD2 4.28Å; Y45-L49 PolarHBondContact O-N 2.92Å; Y45-D71 VanDerWaalsContact CE2-OD1 3.22Å; Y45-D71 WeakPolarHBondContact CE2-OD1 3.32Å; Y45-D71 PolarHBondContact OH-OD1 3.48Å; Y45-M74 HydrophobicContact CE2-CE 4.37Å; Y45-Y196 HydrophobicContact CD1-CD1 4.44Å; Y45-Y196 HydrophobicContact CD1-CE1 4.19Å; Y45-Y196 AromaticContact CE1-CD1 3.93Å; Y45-Y196 HydrophobicContact CE1-CD1 3.93Å; Y45-Y196 AromaticContact CE1-CE1 3.93Å; Y45-Y196 HydrophobicContact CE1-CE1 3.93Å; Y45-F273 AromaticContact CD1-CE2 3.9Å; Y45-F273 HydrophobicContact CD1-CE2 3.9Å; Y45-F273 AromaticContact CD1-CZ 3.93Å; Y45-F273 HydrophobicContact CD1-CZ 3.93Å; Y45-F273 HydrophobicContact CD2-CZ 4.22Å; Y45-F273 HydrophobicContact CG-CE1 4.16Å; Y45-F273 AromaticContact CG-CE2 3.82Å; Y45-F273 HydrophobicContact CG-CE2 3.82Å; Y45-F273 AromaticContact CG-CZ 3.56Å; Y45-F273 HydrophobicContact CG-CZ 3.56Å |
| 46 | K | 92.1 | Very high | 85.6 | Confident | 57 Ų | 57 | 58.9 Ų | 58.9 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -52 | -50.7 | 178.1 | 175 | 168.4 | -173.4 | 177.1 | 0 | 110.6 | T42 W48 L49 L50 M74 E78 | T42-K46 WeakPolarHBondContact O-CA 3.37Å; T42-K46 WeakPolarHBondContact O-CB 3.37Å; T42-K46 PolarHBondContact O-N 2.87Å; K46-W48 VanDerWaalsContact C-N 3.29Å; K46-W48 PolarHBondContact O-N 2.95Å; K46-L49 PolarHBondContact O-N 3Å; K46-L50 HydrophobicContact CD-CD1 4.25Å; K46-L50 HydrophobicContact CG-CD1 3.51Å; K46-L50 HydrophobicContact CG-CG 4.12Å; K46-L50 VanDerWaalsContact O-CB 3.27Å; K46-L50 WeakPolarHBondContact O-CB 3.34Å; K46-L50 WeakPolarHBondContact O-CG 3.36Å; K46-L50 PolarHBondContact O-N 3.46Å; K46-M74 HydrophobicContact CB-SD 3.61Å; K46-M74 HydrophobicContact CD-CG 3.99Å; K46-M74 HydrophobicContact CD-SD 3.83Å; K46-M74 HydrophobicContact CG-CG 4.25Å; K46-M74 HydrophobicContact CG-SD 3.55Å; K46-M74 VanDerWaalsContact CG-SD 3.55Å; K46-E78 WeakPolarHBondContact CE-OE1 3.45Å; K46-E78 IonicContact NZ-OE1 2.6Å; K46-E78 PolarHBondContact NZ-OE1 3.01Å |
| 47 | A | 93.6 | Very high | 87.2 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 67% | 0.669 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.3 | -41.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y45 G51 | Y45-A47 VanDerWaalsContact C-N 3.3Å; Y45-A47 PolarHBondContact O-N 3.41Å; A47-G51 PolarHBondContact O-N 3.4Å |
| 48 | W | 96.3 | Very high | 88.7 | Confident | 57 Ų | 57 | 55.8 Ų | 55.8 | 22% | 0.216 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.3 | -50.7 | 178.2 | 170.3 | 86 | 0 | 0 | 0 | 112.1 | Y45 K46 G51 L52 V174 L270 F273 I288 V290 | Y45-W48 CarbonylContact O-C 3.47Å; Y45-W48 WeakPolarHBondContact O-CA 3.45Å; Y45-W48 WeakPolarHBondContact O-CB 3.36Å; Y45-W48 PolarHBondContact O-N 2.75Å; K46-W48 VanDerWaalsContact C-N 3.29Å; K46-W48 PolarHBondContact O-N 2.95Å; W48-G51 PolarHBondContact O-N 3.08Å; W48-L52 HydrophobicContact CH2-CD2 3.87Å; W48-L52 HydrophobicContact CZ2-CD2 3.75Å; W48-L52 WeakPolarHBondContact O-CB 3.42Å; W48-L52 PolarHBondContact O-N 3.11Å; W48-V174 HydrophobicContact CH2-CG1 3.67Å; W48-V174 HydrophobicContact CZ3-CG1 4.21Å; W48-L270 HydrophobicContact CH2-CD1 4.27Å; W48-L270 HydrophobicContact CZ2-CD1 3.25Å; W48-F273 HydrophobicContact CD2-CB 4.45Å; W48-F273 AromaticContact CD2-CD1 3.66Å; W48-F273 HydrophobicContact CD2-CD1 3.66Å; W48-F273 HydrophobicContact CD2-CE1 4.38Å; W48-F273 HydrophobicContact CD2-CG 4.44Å; W48-F273 AromaticContact CE3-CD1 3.33Å; W48-F273 HydrophobicContact CE3-CD1 3.33Å; W48-F273 AromaticContact CE3-CE1 3.6Å; W48-F273 HydrophobicContact CE3-CE1 3.6Å; W48-F273 HydrophobicContact CE3-CG 4.36Å; W48-F273 HydrophobicContact CG-CB 4.31Å; W48-F273 HydrophobicContact CG-CD1 4.31Å; W48-F273 HydrophobicContact CH2-CD1 4.17Å; W48-F273 HydrophobicContact CH2-CE1 4.29Å; W48-F273 HydrophobicContact CZ2-CD1 4.44Å; W48-F273 AromaticContact CZ3-CD1 3.62Å; W48-F273 HydrophobicContact CZ3-CD1 3.62Å; W48-F273 AromaticContact CZ3-CE1 3.55Å; W48-F273 HydrophobicContact CZ3-CE1 3.55Å; W48-I288 HydrophobicContact CH2-CG2 3.84Å; W48-I288 HydrophobicContact CZ2-CG2 4.42Å; W48-V290 HydrophobicContact CH2-CG2 4.13Å; W48-V290 HydrophobicContact CZ2-CG2 3.8Å |
| 49 | L | 97.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.9 | -46.8 | -176.1 | -178.5 | 55.8 | 0 | 0 | 0 | 110.6 | Y45 K46 G51 L52 L53 M74 L139 | Y45-L49 HydrophobicContact CD2-CB 4.27Å; Y45-L49 HydrophobicContact CD2-CD2 4.32Å; Y45-L49 HydrophobicContact CE2-CD2 4.28Å; Y45-L49 PolarHBondContact O-N 2.92Å; K46-L49 PolarHBondContact O-N 3Å; L49-G51 VanDerWaalsContact C-N 3.32Å; L49-G51 PolarHBondContact O-N 2.85Å; L49-L52 PolarHBondContact O-N 3.37Å; L49-L53 HydrophobicContact CD1-CD1 4.01Å; L49-L53 HydrophobicContact CD1-CG 4.08Å; L49-L53 HydrophobicContact CG-CD1 4.02Å; L49-L53 HydrophobicContact CG-CG 4.49Å; L49-L53 WeakPolarHBondContact O-CB 3.3Å; L49-L53 VanDerWaalsContact O-CG 3.23Å; L49-L53 WeakPolarHBondContact O-CG 3.33Å; L49-L53 PolarHBondContact O-N 3.45Å; L49-M74 HydrophobicContact CD2-CE 3.88Å; L49-L139 HydrophobicContact CD2-CD1 4.12Å |
| 50 | L | 97.5 | Very high | 91.4 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 175.7 | -62.2 | 176.8 | 0 | 0 | 0 | 111.7 | K46 R54 L75 E78 F80 | K46-L50 HydrophobicContact CD-CD1 4.25Å; K46-L50 HydrophobicContact CG-CD1 3.51Å; K46-L50 HydrophobicContact CG-CG 4.12Å; K46-L50 VanDerWaalsContact O-CB 3.27Å; K46-L50 WeakPolarHBondContact O-CB 3.34Å; K46-L50 WeakPolarHBondContact O-CG 3.36Å; K46-L50 PolarHBondContact O-N 3.46Å; L50-R54 VanDerWaalsContact O-CB 3.22Å; L50-R54 WeakPolarHBondContact O-CB 3.22Å; L50-R54 WeakPolarHBondContact O-CG 3.3Å; L50-R54 PolarHBondContact O-N 3.19Å; L50-L75 HydrophobicContact CD2-CD2 4.02Å; L50-E78 HydrophobicContact CD1-CB 4.48Å; L50-E78 HydrophobicContact CD1-CG 3.72Å; L50-E78 WeakPolarHBondContact CD1-OE2 3.33Å; L50-E78 HydrophobicContact CD2-CB 3.76Å; L50-E78 HydrophobicContact CD2-CG 3.74Å; L50-E78 HydrophobicContact CG-CG 4.39Å; L50-F80 HydrophobicContact CD2-CD2 4.44Å; L50-F80 HydrophobicContact CD2-CE2 3.6Å; L50-F80 HydrophobicContact CD2-CZ 4.28Å |
| 51 | G | 97.5 | Very high | 92.7 | Very high | 36 Ų | 36 | 48 Ų | 48 | 37% | 0.371 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A47 W48 L49 Q55 | A47-G51 PolarHBondContact O-N 3.4Å; W48-G51 PolarHBondContact O-N 3.08Å; L49-G51 VanDerWaalsContact C-N 3.32Å; L49-G51 PolarHBondContact O-N 2.85Å; G51-Q55 WeakPolarHBondContact O-CB 3.29Å; G51-Q55 PolarHBondContact O-N 3.4Å |
| 52 | L | 98.2 | Very high | 94 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 11% | 0.105 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59 | -50.1 | 177.7 | 176.6 | 66 | 0 | 0 | 0 | 111.7 | W48 L49 Q55 H56 L172 V174 V290 | W48-L52 HydrophobicContact CH2-CD2 3.87Å; W48-L52 HydrophobicContact CZ2-CD2 3.75Å; W48-L52 WeakPolarHBondContact O-CB 3.42Å; W48-L52 PolarHBondContact O-N 3.11Å; L49-L52 PolarHBondContact O-N 3.37Å; L52-Q55 PolarHBondContact O-N 3.29Å; L52-H56 PolarHBondContact O-N 2.89Å; L52-H56 PolarHBondContact O-ND1 2.86Å; L52-L172 HydrophobicContact CD1-CD1 4.24Å; L52-L172 HydrophobicContact CD2-CD1 4.43Å; L52-L172 HydrophobicContact CG-CD1 4.01Å; L52-V174 HydrophobicContact CD2-CG2 3.86Å; L52-V290 HydrophobicContact CD1-CG1 4.32Å; L52-V290 HydrophobicContact CD2-CG1 4.01Å; L52-V290 HydrophobicContact CD2-CG2 4.1Å |
| 53 | L | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -46.2 | -178.7 | -68 | 175.3 | 0 | 0 | 0 | 111.5 | L49 H56 G57 C58 V61 L75 F80 A135 | L49-L53 HydrophobicContact CD1-CD1 4.01Å; L49-L53 HydrophobicContact CD1-CG 4.08Å; L49-L53 HydrophobicContact CG-CD1 4.02Å; L49-L53 HydrophobicContact CG-CG 4.49Å; L49-L53 WeakPolarHBondContact O-CB 3.3Å; L49-L53 VanDerWaalsContact O-CG 3.23Å; L49-L53 WeakPolarHBondContact O-CG 3.33Å; L49-L53 PolarHBondContact O-N 3.45Å; L53-H56 CarbonylContact O-C 3.58Å; L53-H56 PolarHBondContact O-N 2.85Å; L53-G57 PolarHBondContact O-N 2.85Å; L53-G57 VanDerWaalsContact O-N 3.15Å; L53-C58 HydrophobicContact CB-CB 4.14Å; L53-C58 HydrophobicContact CD2-CB 3.95Å; L53-C58 WeakPolarHBondContact O-CB 3.41Å; L53-C58 PolarHBondContact O-N 3.31Å; L53-V61 HydrophobicContact CD1-CG2 4.45Å; L53-L75 HydrophobicContact CD1-CD2 3.62Å; L53-F80 HydrophobicContact CB-CE1 3.75Å; L53-F80 HydrophobicContact CB-CZ 3.79Å; L53-F80 HydrophobicContact CD1-CE1 3.97Å; L53-F80 HydrophobicContact CD1-CZ 4Å; L53-F80 HydrophobicContact CG-CE1 4.45Å; L53-A135 HydrophobicContact CD2-CB 3.38Å |
| 54 | R | 98.2 | Very high | 96 | Very high | 139 Ų | 139 | 43.9 Ų | 43.9 | 53% | 0.525 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.9 | -39.9 | 178.2 | -71.8 | 172.1 | 177.4 | 154.7 | 4.2 | 112.1 | L50 H56 G57 E78 F80 | L50-R54 VanDerWaalsContact O-CB 3.22Å; L50-R54 WeakPolarHBondContact O-CB 3.22Å; L50-R54 WeakPolarHBondContact O-CG 3.3Å; L50-R54 PolarHBondContact O-N 3.19Å; R54-H56 PolarHBondContact O-N 2.92Å; R54-G57 PolarHBondContact O-N 3.01Å; R54-E78 IonicContact CZ-OE2 3.74Å; R54-E78 IonicContact NH1-OE2 3.91Å; R54-E78 IonicContact NH2-OE2 2.98Å; R54-E78 PolarHBondContact NH2-OE2 3.03Å; R54-F80 HydrophobicContact CG-CZ 4.34Å |
| 55 | Q | 97.9 | Very high | 96.9 | Very high | 156 Ų | 156 | 40.3 Ų | 40.3 | 73% | 0.729 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -59.1 | -32.5 | 176.1 | 179.2 | -177.9 | -8.3 | 0 | 0 | 112.2 | G51 L52 | G51-Q55 WeakPolarHBondContact O-CB 3.29Å; G51-Q55 PolarHBondContact O-N 3.4Å; L52-Q55 PolarHBondContact O-N 3.29Å |
| 56 | H | 97.8 | Very high | 97.3 | Very high | 60 Ų | 60 | 40.5 Ų | 40.5 | 28% | 0.278 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 4.2 | 178.9 | -70 | 80.1 | 0 | 0 | 0 | 113.5 | L52 L53 R54 C58 L172 | L52-H56 PolarHBondContact O-N 2.89Å; L52-H56 PolarHBondContact O-ND1 2.86Å; L53-H56 CarbonylContact O-C 3.58Å; L53-H56 PolarHBondContact O-N 2.85Å; R54-H56 PolarHBondContact O-N 2.92Å; H56-C58 PolarHBondContact O-N 2.95Å; H56-L172 HydrophobicContact CB-CD1 3.87Å; H56-L172 HydrophobicContact CB-CG 4.45Å |
| 57 | G | 97.4 | Very high | 97.4 | Very high | 53 Ų | 53 | 38.1 Ų | 38.1 | 55% | 0.546 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 28.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | L53 R54 | L53-G57 PolarHBondContact O-N 2.85Å; L53-G57 VanDerWaalsContact O-N 3.15Å; R54-G57 PolarHBondContact O-N 3.01Å |
| 58 | C | 97.9 | Very high | 97.4 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | trans | -70.2 | 136.1 | 178 | -59.5 | 0 | 0 | 0 | 0 | 110.4 | L53 H56 F80 D134 A135 | L53-C58 HydrophobicContact CB-CB 4.14Å; L53-C58 HydrophobicContact CD2-CB 3.95Å; L53-C58 WeakPolarHBondContact O-CB 3.41Å; L53-C58 PolarHBondContact O-N 3.31Å; H56-C58 PolarHBondContact O-N 2.95Å; C58-F80 WeakPolarHBondContact O-CE1 3.49Å; C58-D134 HydrophobicContact CB-CB 3.69Å; C58-A135 HydrophobicContact CB-CB 4.34Å | ||
| 59 | Q | 96.8 | Very high | 97.4 | Very high | 102 Ų | 102 | 32 Ų | 32 | 48% | 0.477 | 17% | 0.171 | S | C | . | . | trans | -126.6 | -42.3 | 176.3 | -176.7 | 59.4 | 44.9 | 0 | 0 | 111.8 | G79 S81 D134 | Q59-G79 PolarHBondContact NE2-O 2.76Å; Q59-S81 PolarHBondContact O-N 3.3Å; Q59-D134 PolarHBondContact N-OD2 2.87Å | ||
| 60 | R | 97.3 | Very high | 97.2 | Very high | 56 Ų | 56 | 32.6 Ų | 32.6 | 21% | 0.211 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 115.6 | 178.2 | -66.9 | 176 | 56.6 | -159.3 | -13.1 | 110 | S81 S128 E130 F133 D134 A135 | R60-S81 WeakPolarHBondContact CA-O 2.94Å; R60-S128 PolarHBondContact NH1-OG 3.12Å; R60-S128 VanDerWaalsContact NH2-CB 3.26Å; R60-S128 PolarHBondContact NH2-OG 2.57Å; R60-E130 IonicContact NH1-OE2 2.77Å; R60-E130 PolarHBondContact NH1-OE2 2.79Å; R60-F133 HydrophobicContact CB-CD1 4.32Å; R60-D134 PolarHBondContact N-OD2 2.85Å; R60-D134 WeakPolarHBondContact O-CB 3.18Å; R60-D134 PolarHBondContact O-N 3.07Å; R60-A135 PolarHBondContact O-N 3.35Å |
| 61 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 132 | -176.9 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | L53 L75 F80 S81 V82 M83 A135 I137 | L53-V61 HydrophobicContact CD1-CG2 4.45Å; V61-L75 HydrophobicContact CB-CD1 4.35Å; V61-L75 HydrophobicContact CG1-CD1 3.85Å; V61-F80 HydrophobicContact CG2-CB 4.36Å; V61-F80 HydrophobicContact CG2-CD1 3.79Å; V61-F80 HydrophobicContact CG2-CG 4.34Å; V61-S81 PolarHBondContact N-O 2.83Å; V61-V82 WeakPolarHBondContact O-CA 2.93Å; V61-M83 PolarHBondContact O-N 3.36Å; V61-A135 CarbonylContact C-O 3.51Å; V61-A135 VanDerWaalsContact CA-O 3.31Å; V61-A135 WeakPolarHBondContact CA-O 3.31Å; V61-A135 HydrophobicContact CG1-CB 4.32Å; V61-A135 HydrophobicContact CG2-CB 4.33Å; V61-I137 HydrophobicContact CG1-CG1 4.42Å; V61-I137 HydrophobicContact CG1-CG2 4.19Å |
| 62 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120.9 | 168.5 | 178.4 | 66.1 | 0 | 0 | 0 | 109.6 | V64 M83 V85 V125 F133 A135 V136 I137 M166 | L62-V64 HydrophobicContact CD2-CG1 3.59Å; L62-V64 HydrophobicContact CG-CG1 3.72Å; L62-M83 CarbonylContact C-O 3.45Å; L62-M83 WeakPolarHBondContact CA-O 3.37Å; L62-M83 HydrophobicContact CD1-CB 4.13Å; L62-M83 HydrophobicContact CD1-CG 4.01Å; L62-V85 HydrophobicContact CD1-CG1 4.48Å; L62-V85 HydrophobicContact CD1-CG2 4.31Å; L62-V125 HydrophobicContact CD1-CG1 4.43Å; L62-V125 HydrophobicContact CD2-CG1 4.48Å; L62-F133 HydrophobicContact CB-CB 4.16Å; L62-F133 HydrophobicContact CB-CD1 3.7Å; L62-F133 HydrophobicContact CB-CD2 3.66Å; L62-F133 HydrophobicContact CB-CE1 3.92Å; L62-F133 HydrophobicContact CB-CE2 3.9Å; L62-F133 HydrophobicContact CB-CG 3.56Å; L62-F133 HydrophobicContact CB-CZ 4.02Å; L62-F133 HydrophobicContact CD1-CE1 4.48Å; L62-F133 HydrophobicContact CD1-CE2 4.25Å; L62-F133 HydrophobicContact CD1-CZ 4.06Å; L62-F133 HydrophobicContact CD2-CD2 3.94Å; L62-F133 HydrophobicContact CD2-CE2 3.83Å; L62-F133 HydrophobicContact CD2-CZ 4.46Å; L62-F133 HydrophobicContact CG-CD2 4.34Å; L62-F133 HydrophobicContact CG-CE2 4.21Å; L62-F133 HydrophobicContact CG-CZ 4.4Å; L62-A135 PolarHBondContact N-O 2.91Å; L62-V136 HydrophobicContact CB-CG1 4.44Å; L62-V136 HydrophobicContact CB-CG2 4.26Å; L62-V136 HydrophobicContact CD2-CG1 4.33Å; L62-V136 HydrophobicContact CD2-CG2 4.47Å; L62-V136 CarbonylContact O-C 3.16Å; L62-V136 VanDerWaalsContact O-CA 3.27Å; L62-V136 WeakPolarHBondContact O-CA 3.2Å; L62-I137 PolarHBondContact O-N 3.49Å; L62-M166 HydrophobicContact CD2-CB 3.67Å; L62-M166 HydrophobicContact CD2-CG 3.71Å; L62-M166 HydrophobicContact CD2-SD 4.45Å |
| 63 | D | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.011 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 107.9 | 168.2 | -175.8 | -4.1 | 0 | 0 | 0 | 108.8 | A65 C66 S72 M83 S84 V85 I137 | D63-A65 VanDerWaalsContact C-N 3.3Å; D63-A65 VanDerWaalsContact OD1-C 3.25Å; D63-A65 PolarHBondContact OD1-N 2.97Å; D63-C66 PolarHBondContact OD1-N 2.79Å; D63-S72 WeakPolarHBondContact CB-OG 3.49Å; D63-S72 PolarHBondContact OD2-OG 2.88Å; D63-M83 PolarHBondContact N-O 3Å; D63-S84 CarbonylContact O-C 3.52Å; D63-S84 WeakPolarHBondContact O-CA 3.41Å; D63-V85 PolarHBondContact O-N 2.86Å; D63-I137 HydrophobicContact CB-CD1 4.08Å; D63-I137 HydrophobicContact CB-CG1 3.82Å |
| 64 | V | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -88.3 | 0.7 | -179.5 | -60.2 | 0 | 0 | 0 | 0 | 113 | L62 V85 W118 L121 V136 I137 C138 I163 | L62-V64 HydrophobicContact CD2-CG1 3.59Å; L62-V64 HydrophobicContact CG-CG1 3.72Å; V64-V85 CarbonylContact C-O 3.38Å; V64-V85 VanDerWaalsContact C-O 3.31Å; V64-V85 HydrophobicContact CB-CG2 4.36Å; V64-V85 HydrophobicContact CG1-CG2 4.34Å; V64-W118 PolarHBondContact O-NE1 3.1Å; V64-L121 HydrophobicContact CG1-CD2 3.92Å; V64-V136 HydrophobicContact CG1-CG1 3.79Å; V64-V136 HydrophobicContact CG2-CG1 4.32Å; V64-I137 WeakPolarHBondContact CG2-O 3.31Å; V64-I137 PolarHBondContact N-O 2.93Å; V64-C138 HydrophobicContact CG2-CB 3.61Å; V64-I163 HydrophobicContact CG2-CD1 4.3Å; V64-I163 HydrophobicContact CG2-CG1 4.27Å; V64-I163 HydrophobicContact CG2-CG2 4.38Å |
| 65 | A | 97.6 | Very high | 97 | Very high | 11 Ų | 11 | 25 Ų | 25 | 9% | 0.091 | 14% | 0.136 | C | C | . | . | trans | -134.3 | 51.7 | 179 | 0 | 0 | 0 | 0 | 0 | 109.7 | D63 G67 W118 S142 | D63-A65 VanDerWaalsContact C-N 3.3Å; D63-A65 VanDerWaalsContact OD1-C 3.25Å; D63-A65 PolarHBondContact OD1-N 2.97Å; A65-G67 PolarHBondContact O-N 2.82Å; A65-G67 VanDerWaalsContact O-N 3.12Å; A65-W118 HydrophobicContact CB-CZ2 4.3Å; A65-S142 VanDerWaalsContact CB-CB 3.48Å | ||
| 66 | C | 97.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 17.7 Ų | 17.7 | 3% | 0.034 | 10% | 0.102 | C | C | . | . | trans | -51.7 | -41.4 | -170.9 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | D63 T68 G69 S84 V85 D86 L92 | D63-C66 PolarHBondContact OD1-N 2.79Å; C66-T68 PolarHBondContact O-N 2.81Å; C66-G69 VanDerWaalsContact O-CA 3.3Å; C66-G69 WeakPolarHBondContact O-CA 3.41Å; C66-G69 PolarHBondContact O-N 3.42Å; C66-S84 WeakPolarHBondContact SG-CB 3.27Å; C66-V85 VanDerWaalsContact CB-O 3.3Å; C66-V85 WeakPolarHBondContact CB-O 3.24Å; C66-V85 PolarHBondContact N-O 2.6Å; C66-D86 HydrophobicContact CB-CB 4.16Å; C66-L92 HydrophobicContact CB-CD2 4.01Å | ||
| 67 | G | 94.2 | Very high | 97 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 6% | 0.062 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | -124.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | A65 G69 D86 M91 | A65-G67 PolarHBondContact O-N 2.82Å; A65-G67 VanDerWaalsContact O-N 3.12Å; G67-G69 VanDerWaalsContact C-N 3.3Å; G67-D86 WeakPolarHBondContact CA-OD2 3.22Å; G67-D86 PolarHBondContact N-OD2 2.78Å; G67-M91 CarbonylContact O-C 3.47Å; G67-M91 VanDerWaalsContact O-O 3.13Å |
| 68 | T | 93.4 | Very high | 97.1 | Very high | 11 Ų | 11 | 19.8 Ų | 19.8 | 7% | 0.067 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 6.5 | 173.2 | 76 | 0 | 0 | 0 | 0 | 114 | W31 C66 M91 Y94 A95 | W31-T68 HydrophobicContact CD2-CG2 4.02Å; W31-T68 HydrophobicContact CE3-CG2 3.37Å; W31-T68 HydrophobicContact CH2-CG2 4.17Å; W31-T68 WeakPolarHBondContact CH2-OG1 3.39Å; W31-T68 HydrophobicContact CZ3-CG2 3.51Å; W31-T68 WeakPolarHBondContact CZ3-OG1 3.24Å; C66-T68 PolarHBondContact O-N 2.81Å; T68-M91 HydrophobicContact CG2-CE 3.98Å; T68-M91 HydrophobicContact CG2-SD 4.23Å; T68-Y94 HydrophobicContact CG2-CD2 3.98Å; T68-Y94 HydrophobicContact CG2-CG 4Å; T68-A95 WeakPolarHBondContact O-CA 3.45Å; T68-A95 PolarHBondContact O-N 3.32Å |
| 69 | G | 95.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 92.9 | 11.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | C66 G67 D71 S72 I73 | C66-G69 VanDerWaalsContact O-CA 3.3Å; C66-G69 WeakPolarHBondContact O-CA 3.41Å; C66-G69 PolarHBondContact O-N 3.42Å; G67-G69 VanDerWaalsContact C-N 3.3Å; G69-D71 PolarHBondContact O-N 3.14Å; G69-S72 PolarHBondContact O-N 2.46Å; G69-I73 VanDerWaalsContact O-CB 3.31Å; G69-I73 WeakPolarHBondContact O-CB 3.15Å; G69-I73 VanDerWaalsContact O-CD1 3.29Å; G69-I73 WeakPolarHBondContact O-CD1 3.43Å; G69-I73 WeakPolarHBondContact O-CG1 3.37Å; G69-I73 PolarHBondContact O-N 3.49Å |
| 70 | V | 93.3 | Very high | 97.1 | Very high | 12 Ų | 12 | 17.7 Ų | 17.7 | 7% | 0.073 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56 | -47.2 | -172 | 177.9 | 0 | 0 | 0 | 0 | 113 | W31 I35 T38 T42 M74 | W31-V70 HydrophobicContact CH2-CG2 3.96Å; W31-V70 HydrophobicContact CZ3-CG2 3.72Å; I35-V70 HydrophobicContact CD1-CG2 4.12Å; T38-V70 HydrophobicContact CG2-CG1 4.18Å; T38-V70 HydrophobicContact CG2-CG2 3.72Å; T42-V70 HydrophobicContact CG2-CG1 4.04Å; V70-M74 PolarHBondContact O-N 3Å |
| 71 | D | 95.8 | Very high | 97.2 | Very high | 11 Ų | 11 | 18.1 Ų | 18.1 | 6% | 0.059 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.7 | -45 | 178.7 | -73.9 | -64 | 0 | 0 | 0 | 111.4 | R41 Y45 G69 M74 L75 I137 | R41-D71 IonicContact NH2-OD2 2.72Å; R41-D71 PolarHBondContact NH2-OD2 3.14Å; Y45-D71 VanDerWaalsContact CE2-OD1 3.22Å; Y45-D71 WeakPolarHBondContact CE2-OD1 3.32Å; Y45-D71 PolarHBondContact OH-OD1 3.48Å; G69-D71 PolarHBondContact O-N 3.14Å; D71-M74 WeakPolarHBondContact O-CB 3.37Å; D71-M74 PolarHBondContact O-N 2.92Å; D71-L75 WeakPolarHBondContact O-CG 3.3Å; D71-L75 PolarHBondContact O-N 2.97Å; D71-L75 VanDerWaalsContact O-N 3.15Å; D71-I137 HydrophobicContact CB-CD1 4.23Å |
| 72 | S | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60 | -45.8 | 177 | -74.6 | 0 | 0 | 0 | 0 | 113.6 | D63 G69 M74 L75 V76 S84 | D63-S72 WeakPolarHBondContact CB-OG 3.49Å; D63-S72 PolarHBondContact OD2-OG 2.88Å; G69-S72 PolarHBondContact O-N 2.46Å; S72-M74 VanDerWaalsContact C-N 3.31Å; S72-M74 PolarHBondContact O-N 2.97Å; S72-L75 PolarHBondContact O-N 2.95Å; S72-L75 VanDerWaalsContact O-N 3.1Å; S72-V76 WeakPolarHBondContact O-CG2 3.46Å; S72-V76 PolarHBondContact O-N 2.86Å; S72-S84 WeakPolarHBondContact CB-OG 3.41Å; S72-S84 WeakPolarHBondContact OG-CB 3.33Å; S72-S84 PolarHBondContact OG-OG 3.44Å |
| 73 | I | 97.5 | Very high | 97.2 | Very high | 28 Ų | 28 | 19.5 Ų | 19.5 | 14% | 0.144 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.4 | -46.4 | 177.1 | -71.4 | 158.7 | 0 | 0 | 0 | 110 | G69 L75 V76 E77 E98 F108 W111 | G69-I73 VanDerWaalsContact O-CB 3.31Å; G69-I73 WeakPolarHBondContact O-CB 3.15Å; G69-I73 VanDerWaalsContact O-CD1 3.29Å; G69-I73 WeakPolarHBondContact O-CD1 3.43Å; G69-I73 WeakPolarHBondContact O-CG1 3.37Å; G69-I73 PolarHBondContact O-N 3.49Å; I73-L75 VanDerWaalsContact C-N 3.28Å; I73-L75 PolarHBondContact O-N 2.98Å; I73-V76 PolarHBondContact O-N 2.65Å; I73-E77 HydrophobicContact CG2-CG 4.44Å; I73-E77 VanDerWaalsContact O-CG 3.3Å; I73-E77 WeakPolarHBondContact O-CG 3.43Å; I73-E77 PolarHBondContact O-N 3.17Å; I73-E98 HydrophobicContact CD1-CB 4.18Å; I73-E98 HydrophobicContact CD1-CG 3.69Å; I73-E98 HydrophobicContact CG1-CG 4.29Å; I73-F108 HydrophobicContact CG1-CE1 4.31Å; I73-F108 HydrophobicContact CG2-CE1 4.2Å; I73-F108 HydrophobicContact CG2-CZ 4.03Å; I73-W111 HydrophobicContact CD1-CH2 4.29Å; I73-W111 HydrophobicContact CG1-CH2 3.65Å; I73-W111 HydrophobicContact CG1-CZ3 3.79Å |
| 74 | M | 96.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.02 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.7 | -41.8 | 177.4 | -179 | -163.6 | 68.1 | 0 | 0 | 111.5 | T42 Y45 K46 L49 V70 D71 S72 E78 | T42-M74 HydrophobicContact CG2-CB 4.26Å; T42-M74 HydrophobicContact CG2-CG 4.4Å; T42-M74 HydrophobicContact CG2-SD 3.85Å; Y45-M74 HydrophobicContact CE2-CE 4.37Å; K46-M74 HydrophobicContact CB-SD 3.61Å; K46-M74 HydrophobicContact CD-CG 3.99Å; K46-M74 HydrophobicContact CD-SD 3.83Å; K46-M74 HydrophobicContact CG-CG 4.25Å; K46-M74 HydrophobicContact CG-SD 3.55Å; K46-M74 VanDerWaalsContact CG-SD 3.55Å; L49-M74 HydrophobicContact CD2-CE 3.88Å; V70-M74 PolarHBondContact O-N 3Å; D71-M74 WeakPolarHBondContact O-CB 3.37Å; D71-M74 PolarHBondContact O-N 2.92Å; S72-M74 VanDerWaalsContact C-N 3.31Å; S72-M74 PolarHBondContact O-N 2.97Å; M74-E78 WeakPolarHBondContact O-CB 3.36Å; M74-E78 WeakPolarHBondContact O-CG 3.09Å; M74-E78 PolarHBondContact O-N 2.9Å |
| 75 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -70.5 | -39.1 | 178.7 | -67.6 | 177.2 | 0 | 0 | 0 | 112.3 | L50 L53 V61 D71 S72 I73 E78 G79 F80 V82 I137 | L50-L75 HydrophobicContact CD2-CD2 4.02Å; L53-L75 HydrophobicContact CD1-CD2 3.62Å; V61-L75 HydrophobicContact CB-CD1 4.35Å; V61-L75 HydrophobicContact CG1-CD1 3.85Å; D71-L75 WeakPolarHBondContact O-CG 3.3Å; D71-L75 PolarHBondContact O-N 2.97Å; D71-L75 VanDerWaalsContact O-N 3.15Å; S72-L75 PolarHBondContact O-N 2.95Å; S72-L75 VanDerWaalsContact O-N 3.1Å; I73-L75 VanDerWaalsContact C-N 3.28Å; I73-L75 PolarHBondContact O-N 2.98Å; L75-E78 CarbonylContact O-C 3.57Å; L75-E78 PolarHBondContact O-N 3.45Å; L75-G79 PolarHBondContact O-N 3.42Å; L75-F80 HydrophobicContact CB-CB 4.22Å; L75-F80 HydrophobicContact CB-CD2 4.31Å; L75-F80 HydrophobicContact CB-CG 4.47Å; L75-F80 HydrophobicContact CD2-CD2 3.98Å; L75-F80 HydrophobicContact CD2-CE2 4.17Å; L75-F80 HydrophobicContact CD2-CG 4.42Å; L75-F80 WeakPolarHBondContact O-CB 3.19Å; L75-F80 WeakPolarHBondContact O-CD2 3.09Å; L75-F80 PolarHBondContact O-N 3.23Å; L75-V82 HydrophobicContact CB-CG2 3.58Å; L75-I137 HydrophobicContact CD1-CD1 3.79Å |
| 76 | V | 98.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | S72 I73 E78 G79 V82 A107 F108 W111 | S72-V76 WeakPolarHBondContact O-CG2 3.46Å; S72-V76 PolarHBondContact O-N 2.86Å; I73-V76 PolarHBondContact O-N 2.65Å; V76-E78 PolarHBondContact O-N 3.15Å; V76-G79 PolarHBondContact O-N 3.4Å; V76-G79 VanDerWaalsContact O-N 3.12Å; V76-V82 HydrophobicContact CG2-CB 3.83Å; V76-V82 HydrophobicContact CG2-CG2 3.77Å; V76-A107 HydrophobicContact CG1-CB 3.87Å; V76-F108 HydrophobicContact CB-CZ 4.39Å; V76-F108 HydrophobicContact CG1-CD1 4.23Å; V76-F108 HydrophobicContact CG1-CD2 3.83Å; V76-F108 HydrophobicContact CG1-CE1 4.2Å; V76-F108 HydrophobicContact CG1-CE2 3.77Å; V76-F108 HydrophobicContact CG1-CG 4.03Å; V76-F108 HydrophobicContact CG1-CZ 3.96Å; V76-W111 HydrophobicContact CG2-CB 3.96Å; V76-W111 HydrophobicContact CG2-CD2 4.02Å; V76-W111 HydrophobicContact CG2-CG 3.68Å |
| 77 | E | 97.4 | Very high | 96.9 | Very high | 98 Ų | 98 | 21 Ų | 21 | 46% | 0.458 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -60.3 | -31.9 | 176.1 | -72.9 | 178.5 | 159.2 | 0 | 0 | 112.9 | I73 G79 R102 F108 | I73-E77 HydrophobicContact CG2-CG 4.44Å; I73-E77 VanDerWaalsContact O-CG 3.3Å; I73-E77 WeakPolarHBondContact O-CG 3.43Å; I73-E77 PolarHBondContact O-N 3.17Å; E77-G79 VanDerWaalsContact C-N 3.26Å; E77-G79 PolarHBondContact O-N 3.32Å; E77-R102 IonicContact OE1-CZ 3.57Å; E77-R102 IonicContact OE1-NH1 3.38Å; E77-R102 PolarHBondContact OE1-NH1 2.89Å; E77-R102 IonicContact OE1-NH2 3.62Å; E77-R102 PolarHBondContact OE1-NH2 3.13Å; E77-F108 HydrophobicContact CG-CE2 4.05Å; E77-F108 HydrophobicContact CG-CZ 3.91Å |
| 78 | E | 97.8 | Very high | 96.7 | Very high | 59 Ų | 59 | 20.8 Ų | 20.8 | 28% | 0.276 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 8.1 | -179.4 | -66.3 | -74.4 | 154.6 | 0 | 0 | 113.2 | K46 L50 R54 M74 L75 V76 F80 | K46-E78 WeakPolarHBondContact CE-OE1 3.45Å; K46-E78 IonicContact NZ-OE1 2.6Å; K46-E78 PolarHBondContact NZ-OE1 3.01Å; L50-E78 HydrophobicContact CD1-CB 4.48Å; L50-E78 HydrophobicContact CD1-CG 3.72Å; L50-E78 WeakPolarHBondContact CD1-OE2 3.33Å; L50-E78 HydrophobicContact CD2-CB 3.76Å; L50-E78 HydrophobicContact CD2-CG 3.74Å; L50-E78 HydrophobicContact CG-CG 4.39Å; R54-E78 IonicContact CZ-OE2 3.74Å; R54-E78 IonicContact NH1-OE2 3.91Å; R54-E78 IonicContact NH2-OE2 2.98Å; R54-E78 PolarHBondContact NH2-OE2 3.03Å; M74-E78 WeakPolarHBondContact O-CB 3.36Å; M74-E78 WeakPolarHBondContact O-CG 3.09Å; M74-E78 PolarHBondContact O-N 2.9Å; L75-E78 CarbonylContact O-C 3.57Å; L75-E78 PolarHBondContact O-N 3.45Å; V76-E78 PolarHBondContact O-N 3.15Å; E78-F80 HydrophobicContact CB-CD2 4.01Å; E78-F80 HydrophobicContact CB-CE2 4.01Å |
| 79 | G | 97.9 | Very high | 96.4 | Very high | 47 Ų | 47 | 24 Ų | 24 | 49% | 0.485 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 12.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q59 L75 V76 E77 | Q59-G79 PolarHBondContact NE2-O 2.76Å; L75-G79 PolarHBondContact O-N 3.42Å; V76-G79 PolarHBondContact O-N 3.4Å; V76-G79 VanDerWaalsContact O-N 3.12Å; E77-G79 VanDerWaalsContact C-N 3.26Å; E77-G79 PolarHBondContact O-N 3.32Å |
| 80 | F | 98.5 | Very high | 96 | Very high | 17 Ų | 17 | 27.3 Ų | 27.3 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | trans | -76.8 | 150.4 | 174 | -66.9 | -94.3 | 0 | 0 | 0 | 111.3 | L50 L53 R54 C58 V61 L75 E78 V82 | L50-F80 HydrophobicContact CD2-CD2 4.44Å; L50-F80 HydrophobicContact CD2-CE2 3.6Å; L50-F80 HydrophobicContact CD2-CZ 4.28Å; L53-F80 HydrophobicContact CB-CE1 3.75Å; L53-F80 HydrophobicContact CB-CZ 3.79Å; L53-F80 HydrophobicContact CD1-CE1 3.97Å; L53-F80 HydrophobicContact CD1-CZ 4Å; L53-F80 HydrophobicContact CG-CE1 4.45Å; R54-F80 HydrophobicContact CG-CZ 4.34Å; C58-F80 WeakPolarHBondContact O-CE1 3.49Å; V61-F80 HydrophobicContact CG2-CB 4.36Å; V61-F80 HydrophobicContact CG2-CD1 3.79Å; V61-F80 HydrophobicContact CG2-CG 4.34Å; L75-F80 HydrophobicContact CB-CB 4.22Å; L75-F80 HydrophobicContact CB-CD2 4.31Å; L75-F80 HydrophobicContact CB-CG 4.47Å; L75-F80 HydrophobicContact CD2-CD2 3.98Å; L75-F80 HydrophobicContact CD2-CE2 4.17Å; L75-F80 HydrophobicContact CD2-CG 4.42Å; L75-F80 WeakPolarHBondContact O-CB 3.19Å; L75-F80 WeakPolarHBondContact O-CD2 3.09Å; L75-F80 PolarHBondContact O-N 3.23Å; E78-F80 HydrophobicContact CB-CD2 4.01Å; E78-F80 HydrophobicContact CB-CE2 4.01Å; F80-V82 HydrophobicContact CB-CG2 3.9Å; F80-V82 PolarHBondContact O-N 2.95Å | ||
| 81 | S | 97.9 | Very high | 95.7 | Very high | 65 Ų | 65 | 27 Ų | 27 | 46% | 0.455 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 97.8 | 169.4 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | Q59 R60 V61 | Q59-S81 PolarHBondContact O-N 3.3Å; R60-S81 WeakPolarHBondContact CA-O 2.94Å; V61-S81 PolarHBondContact N-O 2.83Å |
| 82 | V | 98.4 | Very high | 95.5 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.03 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 133.1 | -172 | -170.7 | 0 | 0 | 0 | 0 | 111 | V61 L75 V76 F80 S84 V112 | V61-V82 WeakPolarHBondContact O-CA 2.93Å; L75-V82 HydrophobicContact CB-CG2 3.58Å; V76-V82 HydrophobicContact CG2-CB 3.83Å; V76-V82 HydrophobicContact CG2-CG2 3.77Å; F80-V82 HydrophobicContact CB-CG2 3.9Å; F80-V82 PolarHBondContact O-N 2.95Å; V82-S84 WeakPolarHBondContact CG1-OG 3.24Å; V82-V112 PolarHBondContact O-N 3.17Å |
| 83 | M | 98.3 | Very high | 95.3 | Very high | 25 Ų | 25 | 32.1 Ų | 32.1 | 12% | 0.123 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.8 | 159.3 | -179.2 | 168 | -175.4 | 0 | 0 | 108 | V61 L62 D63 V85 V112 E114 V125 F133 | V61-M83 PolarHBondContact O-N 3.36Å; L62-M83 CarbonylContact C-O 3.45Å; L62-M83 WeakPolarHBondContact CA-O 3.37Å; L62-M83 HydrophobicContact CD1-CB 4.13Å; L62-M83 HydrophobicContact CD1-CG 4.01Å; D63-M83 PolarHBondContact N-O 3Å; M83-V85 HydrophobicContact CE-CG1 4.19Å; M83-V112 CarbonylContact C-O 3.18Å; M83-V112 WeakPolarHBondContact CA-O 3.25Å; M83-V112 HydrophobicContact CB-CB 4.22Å; M83-V112 HydrophobicContact CE-CG1 4Å; M83-V112 HydrophobicContact CG-CB 4Å; M83-V112 HydrophobicContact CG-CG1 3.88Å; M83-V112 HydrophobicContact SD-CG1 4.16Å; M83-E114 HydrophobicContact CE-CB 4.34Å; M83-E114 HydrophobicContact CE-CG 4.07Å; M83-V125 HydrophobicContact CE-CG1 4.13Å; M83-V125 HydrophobicContact CE-CG2 4.34Å; M83-V125 HydrophobicContact SD-CG1 4.07Å; M83-F133 HydrophobicContact CB-CE1 3.93Å; M83-F133 HydrophobicContact CB-CZ 4.18Å; M83-F133 HydrophobicContact SD-CZ 3.99Å |
| 84 | S | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 133.3 | -176.5 | -46.9 | 0 | 0 | 0 | 0 | 110 | D63 C66 S72 V82 W111 V112 I113 E114 | D63-S84 CarbonylContact O-C 3.52Å; D63-S84 WeakPolarHBondContact O-CA 3.41Å; C66-S84 WeakPolarHBondContact SG-CB 3.27Å; S72-S84 WeakPolarHBondContact CB-OG 3.41Å; S72-S84 WeakPolarHBondContact OG-CB 3.33Å; S72-S84 PolarHBondContact OG-OG 3.44Å; V82-S84 WeakPolarHBondContact CG1-OG 3.24Å; S84-W111 PolarHBondContact OG-NE1 3.4Å; S84-V112 PolarHBondContact N-O 3.32Å; S84-I113 VanDerWaalsContact O-CA 3.31Å; S84-I113 WeakPolarHBondContact O-CA 3.49Å; S84-E114 PolarHBondContact O-N 3.38Å |
| 85 | V | 98.3 | Very high | 95 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 151.1 | 178 | -58 | 0 | 0 | 0 | 0 | 111.8 | L62 D63 V64 C66 M83 E114 A116 L121 V125 | L62-V85 HydrophobicContact CD1-CG1 4.48Å; L62-V85 HydrophobicContact CD1-CG2 4.31Å; D63-V85 PolarHBondContact O-N 2.86Å; V64-V85 CarbonylContact C-O 3.38Å; V64-V85 VanDerWaalsContact C-O 3.31Å; V64-V85 HydrophobicContact CB-CG2 4.36Å; V64-V85 HydrophobicContact CG1-CG2 4.34Å; C66-V85 VanDerWaalsContact CB-O 3.3Å; C66-V85 WeakPolarHBondContact CB-O 3.24Å; C66-V85 PolarHBondContact N-O 2.6Å; M83-V85 HydrophobicContact CE-CG1 4.19Å; V85-E114 VanDerWaalsContact CA-O 3.25Å; V85-E114 WeakPolarHBondContact CA-O 3.16Å; V85-E114 HydrophobicContact CG1-CB 4.24Å; V85-A116 HydrophobicContact CB-CB 3.63Å; V85-A116 HydrophobicContact CG1-CB 3.94Å; V85-A116 HydrophobicContact CG2-CB 3.85Å; V85-L121 HydrophobicContact CG2-CD1 4.05Å; V85-V125 HydrophobicContact CG1-CG2 3.89Å; V85-V125 HydrophobicContact CG2-CG2 4.42Å |
| 86 | D | 96.9 | Very high | 94.9 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 14% | 0.139 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 157.3 | 172.8 | -154.7 | -70.4 | 0 | 0 | 0 | 109 | C66 G67 S88 L92 E115 A116 | C66-D86 HydrophobicContact CB-CB 4.16Å; G67-D86 WeakPolarHBondContact CA-OD2 3.22Å; G67-D86 PolarHBondContact N-OD2 2.78Å; D86-S88 PolarHBondContact OD1-N 3.37Å; D86-L92 HydrophobicContact CB-CD1 4.17Å; D86-L92 HydrophobicContact CB-CD2 3.57Å; D86-L92 HydrophobicContact CB-CG 3.7Å; D86-E115 WeakPolarHBondContact O-CA 3.31Å; D86-A116 CarbonylContact C-O 3.53Å; D86-A116 PolarHBondContact O-N 2.94Å |
| 87 | A | 93.1 | Very high | 94.8 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 19% | 0.19 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -86.9 | -15.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A116 | A87-A116 WeakPolarHBondContact CA-O 3.31Å; A87-A116 PolarHBondContact N-O 3.22Å |
| 88 | S | 89.8 | Confident | 94.8 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | trans | -96.4 | 108.3 | -179.2 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | D20 Y22 D86 K90 M91 L92 | D20-S88 PolarHBondContact OD1-OG 3.48Å; D20-S88 PolarHBondContact OD2-OG 3.25Å; Y22-S88 WeakPolarHBondContact CB-OG 3.19Å; D86-S88 PolarHBondContact OD1-N 3.37Å; S88-K90 PolarHBondContact O-N 3.41Å; S88-M91 PolarHBondContact O-N 3.41Å; S88-M91 VanDerWaalsContact O-N 3.11Å; S88-L92 PolarHBondContact O-N 3.02Å | ||
| 89 | D | 86.8 | Confident | 94.8 | Very high | 79 Ų | 79 | 40.9 Ų | 40.9 | 42% | 0.422 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -54.3 | -35.7 | 171.5 | 77.1 | -40.4 | 0 | 0 | 0 | 111.8 | M91 L92 K93 | D89-M91 VanDerWaalsContact C-N 3.3Å; D89-M91 PolarHBondContact O-N 3.35Å; D89-L92 PolarHBondContact O-N 3.43Å; D89-K93 WeakPolarHBondContact O-CB 3.48Å; D89-K93 PolarHBondContact O-N 3.01Å |
| 90 | K | 87.4 | Confident | 94.8 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 30% | 0.3 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.5 | -37.5 | -179.8 | -58.7 | -48.5 | 174.2 | -140.4 | 0 | 112.2 | Y22 A28 S88 Y94 | Y22-K90 WeakPolarHBondContact O-CG 3.27Å; A28-K90 HydrophobicContact CB-CB 3.98Å; S88-K90 PolarHBondContact O-N 3.41Å; K90-Y94 VanDerWaalsContact O-CD2 3.23Å; K90-Y94 WeakPolarHBondContact O-CD2 3.46Å; K90-Y94 VanDerWaalsContact O-CE2 3.27Å; K90-Y94 WeakPolarHBondContact O-CE2 3.34Å |
| 91 | M | 87.5 | Confident | 94.7 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -78.3 | -49.1 | 178.2 | -65.5 | -65.9 | -78.5 | 0 | 0 | 110.4 | Y22 A28 W31 G67 T68 S88 D89 K93 Y94 | Y22-M91 HydrophobicContact CD1-CG 4.34Å; Y22-M91 HydrophobicContact CD1-SD 4.13Å; Y22-M91 HydrophobicContact CD2-CG 4.29Å; Y22-M91 HydrophobicContact CE1-SD 4.5Å; Y22-M91 HydrophobicContact CG-CG 4.04Å; Y22-M91 HydrophobicContact CG-SD 4.42Å; A28-M91 HydrophobicContact CB-SD 3.87Å; W31-M91 HydrophobicContact CD2-CE 3.75Å; W31-M91 VanDerWaalsContact CE2-CE 3.42Å; W31-M91 HydrophobicContact CE3-CE 4.45Å; W31-M91 HydrophobicContact CG-CE 3.92Å; W31-M91 HydrophobicContact CG-SD 4.44Å; W31-M91 HydrophobicContact CH2-CE 4.39Å; W31-M91 HydrophobicContact CZ2-CE 3.73Å; G67-M91 CarbonylContact O-C 3.47Å; G67-M91 VanDerWaalsContact O-O 3.13Å; T68-M91 HydrophobicContact CG2-CE 3.98Å; T68-M91 HydrophobicContact CG2-SD 4.23Å; S88-M91 PolarHBondContact O-N 3.41Å; S88-M91 VanDerWaalsContact O-N 3.11Å; D89-M91 VanDerWaalsContact C-N 3.3Å; D89-M91 PolarHBondContact O-N 3.35Å; M91-K93 PolarHBondContact O-N 2.96Å; M91-K93 VanDerWaalsContact O-N 3.16Å; M91-Y94 PolarHBondContact O-N 3.2Å |
| 92 | L | 92.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.9 | -33.6 | 178.7 | -73.2 | -179 | 0 | 0 | 0 | 113.1 | C66 D86 S88 D89 Y94 A95 L96 I113 E114 E115 | C66-L92 HydrophobicContact CB-CD2 4.01Å; D86-L92 HydrophobicContact CB-CD1 4.17Å; D86-L92 HydrophobicContact CB-CD2 3.57Å; D86-L92 HydrophobicContact CB-CG 3.7Å; S88-L92 PolarHBondContact O-N 3.02Å; D89-L92 PolarHBondContact O-N 3.43Å; L92-Y94 PolarHBondContact O-N 3.08Å; L92-Y94 VanDerWaalsContact O-N 3.07Å; L92-A95 PolarHBondContact O-N 2.94Å; L92-L96 HydrophobicContact CB-CD1 4.45Å; L92-L96 WeakPolarHBondContact O-CB 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.32Å; L92-L96 PolarHBondContact O-N 3.37Å; L92-I113 HydrophobicContact CD2-CG2 3.77Å; L92-E114 WeakPolarHBondContact CD1-O 3.23Å; L92-E115 HydrophobicContact CD1-CB 4.18Å |
| 93 | K | 93.3 | Very high | 94.7 | Very high | 112 Ų | 112 | 53 Ų | 53 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -47.3 | -39.4 | 174.1 | -176.9 | -170.9 | 72 | -173.7 | 0 | 112.6 | D89 M91 K97 | D89-K93 WeakPolarHBondContact O-CB 3.48Å; D89-K93 PolarHBondContact O-N 3.01Å; M91-K93 PolarHBondContact O-N 2.96Å; M91-K93 VanDerWaalsContact O-N 3.16Å; K93-K97 VanDerWaalsContact O-CB 3.31Å; K93-K97 WeakPolarHBondContact O-CB 3.39Å; K93-K97 PolarHBondContact O-N 2.87Å |
| 94 | Y | 92.1 | Very high | 94.7 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 15% | 0.153 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -76.3 | -40.2 | -179.1 | -66.3 | -87.5 | 0 | 0 | 0 | 112.3 | A28 T68 K90 M91 L92 K97 E98 | A28-Y94 HydrophobicContact CB-CE2 4.04Å; T68-Y94 HydrophobicContact CG2-CD2 3.98Å; T68-Y94 HydrophobicContact CG2-CG 4Å; K90-Y94 VanDerWaalsContact O-CD2 3.23Å; K90-Y94 WeakPolarHBondContact O-CD2 3.46Å; K90-Y94 VanDerWaalsContact O-CE2 3.27Å; K90-Y94 WeakPolarHBondContact O-CE2 3.34Å; M91-Y94 PolarHBondContact O-N 3.2Å; L92-Y94 PolarHBondContact O-N 3.08Å; L92-Y94 VanDerWaalsContact O-N 3.07Å; Y94-K97 PolarHBondContact O-N 2.89Å; Y94-E98 PolarHBondContact O-N 3.42Å |
| 95 | A | 95.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | T68 L92 K97 E98 R99 W111 I113 | T68-A95 WeakPolarHBondContact O-CA 3.45Å; T68-A95 PolarHBondContact O-N 3.32Å; L92-A95 PolarHBondContact O-N 2.94Å; A95-K97 VanDerWaalsContact C-N 3.33Å; A95-K97 PolarHBondContact O-N 3.04Å; A95-E98 PolarHBondContact O-N 3.28Å; A95-R99 PolarHBondContact O-N 3.08Å; A95-W111 HydrophobicContact CB-CH2 3.94Å; A95-W111 HydrophobicContact CB-CZ2 4.29Å; A95-I113 HydrophobicContact CB-CD1 4.03Å; A95-I113 HydrophobicContact CB-CG2 4.47Å |
| 96 | L | 96.9 | Very high | 94.7 | Very high | 66 Ų | 66 | 67.2 Ų | 67.2 | 35% | 0.346 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 175.4 | -72.9 | 167.2 | 0 | 0 | 0 | 112 | L92 W100 I113 | L92-L96 HydrophobicContact CB-CD1 4.45Å; L92-L96 WeakPolarHBondContact O-CB 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.32Å; L92-L96 PolarHBondContact O-N 3.37Å; L96-W100 WeakPolarHBondContact O-CB 3.49Å; L96-W100 PolarHBondContact O-N 3.12Å; L96-I113 HydrophobicContact CD2-CB 3.95Å; L96-I113 HydrophobicContact CD2-CD1 4.25Å; L96-I113 HydrophobicContact CD2-CG2 4Å; L96-I113 HydrophobicContact CG-CG2 4.1Å |
| 97 | K | 96.6 | Very high | 94.7 | Very high | 135 Ų | 135 | 68.1 Ų | 68.1 | 59% | 0.587 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.2 | -43.2 | 175.2 | -175.6 | 178.7 | -179 | -177.8 | 0 | 111.5 | K93 Y94 A95 W100 N101 | K93-K97 VanDerWaalsContact O-CB 3.31Å; K93-K97 WeakPolarHBondContact O-CB 3.39Å; K93-K97 PolarHBondContact O-N 2.87Å; Y94-K97 PolarHBondContact O-N 2.89Å; A95-K97 VanDerWaalsContact C-N 3.33Å; A95-K97 PolarHBondContact O-N 3.04Å; K97-W100 PolarHBondContact O-N 2.71Å; K97-N101 PolarHBondContact O-N 3.46Å; K97-N101 PolarHBondContact O-ND2 3.17Å; K97-N101 PolarHBondContact O-OD1 3.02Å |
| 98 | E | 96.8 | Very high | 95 | Very high | 64 Ų | 64 | 67.1 Ų | 67.1 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67 | -45.1 | 179 | -170.2 | 59.9 | -161.3 | 0 | 0 | 111.9 | I73 Y94 A95 W100 N101 R102 | I73-E98 HydrophobicContact CD1-CB 4.18Å; I73-E98 HydrophobicContact CD1-CG 3.69Å; I73-E98 HydrophobicContact CG1-CG 4.29Å; Y94-E98 PolarHBondContact O-N 3.42Å; A95-E98 PolarHBondContact O-N 3.28Å; E98-W100 VanDerWaalsContact C-N 3.28Å; E98-W100 PolarHBondContact O-N 2.89Å; E98-N101 PolarHBondContact O-N 3.12Å; E98-R102 PolarHBondContact O-N 2.91Å; E98-R102 WeakPolarHBondContact OE1-CD 3.39Å |
| 99 | R | 97.9 | Very high | 95.3 | Very high | 72 Ų | 72 | 72.5 Ų | 72.5 | 27% | 0.272 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -54.3 | -46.6 | 171.9 | -172.2 | -179.7 | 67.8 | 175.3 | -0.4 | 111.3 | A95 N101 R102 R103 F108 W111 I113 | A95-R99 PolarHBondContact O-N 3.08Å; R99-N101 PolarHBondContact O-N 2.87Å; R99-R102 CarbonylContact O-C 3.5Å; R99-R102 PolarHBondContact O-N 3.05Å; R99-R103 WeakPolarHBondContact O-CA 3.21Å; R99-R103 PolarHBondContact O-N 2.77Å; R99-F108 WeakPolarHBondContact CG-O 3.4Å; R99-W111 HydrophobicContact CB-CE3 3.69Å; R99-W111 HydrophobicContact CB-CZ3 3.83Å; R99-W111 WeakPolarHBondContact CD-O 3.37Å; R99-W111 HydrophobicContact CG-CE3 3.92Å; R99-W111 PolarHBondContact NH1-O 2.83Å; R99-I113 HydrophobicContact CB-CD1 3.84Å; R99-I113 HydrophobicContact CG-CD1 4.39Å |
| 100 | W | 97.8 | Very high | 95.9 | Very high | 162 Ų | 162 | 76.2 Ų | 76.2 | 61% | 0.614 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.4 | -43.9 | 178.1 | 179.7 | -100.1 | 0 | 0 | 0 | 112.5 | L96 K97 E98 R102 R103 | L96-W100 WeakPolarHBondContact O-CB 3.49Å; L96-W100 PolarHBondContact O-N 3.12Å; K97-W100 PolarHBondContact O-N 2.71Å; E98-W100 VanDerWaalsContact C-N 3.28Å; E98-W100 PolarHBondContact O-N 2.89Å; W100-R102 VanDerWaalsContact C-N 3.26Å; W100-R102 PolarHBondContact O-N 3.39Å; W100-R103 WeakPolarHBondContact O-CB 3.45Å; W100-R103 VanDerWaalsContact O-CD 3.28Å; W100-R103 WeakPolarHBondContact O-CD 3.32Å; W100-R103 WeakPolarHBondContact O-CG 3.21Å; W100-R103 PolarHBondContact O-N 3.2Å; W100-R103 PolarHBondContact O-NH1 3.26Å |
| 101 | N | 98 | Very high | 96.4 | Very high | 85 Ų | 85 | 73 Ų | 73 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 179.1 | -67.8 | -22.3 | 0 | 0 | 0 | 112 | K97 E98 R99 | K97-N101 PolarHBondContact O-N 3.46Å; K97-N101 PolarHBondContact O-ND2 3.17Å; K97-N101 PolarHBondContact O-OD1 3.02Å; E98-N101 PolarHBondContact O-N 3.12Å; R99-N101 PolarHBondContact O-N 2.87Å |
| 102 | R | 98.1 | Very high | 96.9 | Very high | 49 Ų | 49 | 75.6 Ų | 75.6 | 19% | 0.185 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 12.7 | -176.2 | -62.3 | -177.2 | 67.5 | 178.1 | -1.8 | 113.9 | E77 E98 R99 W100 H104 E105 F108 | E77-R102 IonicContact OE1-CZ 3.57Å; E77-R102 IonicContact OE1-NH1 3.38Å; E77-R102 PolarHBondContact OE1-NH1 2.89Å; E77-R102 IonicContact OE1-NH2 3.62Å; E77-R102 PolarHBondContact OE1-NH2 3.13Å; E98-R102 PolarHBondContact O-N 2.91Å; E98-R102 WeakPolarHBondContact OE1-CD 3.39Å; R99-R102 CarbonylContact O-C 3.5Å; R99-R102 PolarHBondContact O-N 3.05Å; W100-R102 VanDerWaalsContact C-N 3.26Å; W100-R102 PolarHBondContact O-N 3.39Å; R102-H104 PolarHBondContact O-N 3.03Å; R102-E105 IonicContact CZ-OE1 3.69Å; R102-E105 IonicContact CZ-OE2 3.39Å; R102-E105 IonicContact NE-OE1 3.33Å; R102-E105 PolarHBondContact NE-OE1 3.2Å; R102-E105 IonicContact NE-OE2 2.86Å; R102-E105 PolarHBondContact NE-OE2 3.16Å; R102-E105 IonicContact NH2-OE1 3.55Å; R102-E105 PolarHBondContact NH2-OE1 2.93Å; R102-E105 IonicContact NH2-OE2 2.73Å; R102-E105 PolarHBondContact NH2-OE2 3.17Å; R102-E105 WeakPolarHBondContact O-CB 3.44Å; R102-E105 PolarHBondContact O-N 3.23Å; R102-F108 HydrophobicContact CB-CB 4.06Å; R102-F108 HydrophobicContact CB-CD1 3.88Å; R102-F108 HydrophobicContact CB-CD2 4.1Å; R102-F108 HydrophobicContact CB-CE1 4.41Å; R102-F108 HydrophobicContact CB-CG 3.72Å; R102-F108 VanDerWaalsContact NH2-CE2 3.25Å; R102-F108 WeakPolarHBondContact O-CB 3.45Å |
| 103 | R | 97.5 | Very high | 97.2 | Very high | 92 Ų | 92 | 75.4 Ų | 75.4 | 35% | 0.347 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -18.4 | -177.7 | 72 | -171.1 | 179.6 | -75.5 | -4 | 115.1 | R99 W100 E105 | R99-R103 WeakPolarHBondContact O-CA 3.21Å; R99-R103 PolarHBondContact O-N 2.77Å; W100-R103 WeakPolarHBondContact O-CB 3.45Å; W100-R103 VanDerWaalsContact O-CD 3.28Å; W100-R103 WeakPolarHBondContact O-CD 3.32Å; W100-R103 WeakPolarHBondContact O-CG 3.21Å; W100-R103 PolarHBondContact O-N 3.2Å; W100-R103 PolarHBondContact O-NH1 3.26Å; R103-E105 VanDerWaalsContact C-N 3.26Å |
| 104 | H | 97.7 | Very high | 97.4 | Very high | 148 Ų | 148 | 75 Ų | 75 | 69% | 0.685 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -16.2 | 175.1 | -59.7 | -63.6 | 0 | 0 | 0 | 112.9 | R102 | R102-H104 PolarHBondContact O-N 3.03Š|
| 105 | E | 98.3 | Very high | 97.6 | Very high | 79 Ų | 79 | 78 Ų | 78 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -84.7 | 120.9 | 173.5 | -63.1 | 173.6 | -126.7 | 0 | 0 | 109.3 | R102 R103 A107 F108 D109 | R102-E105 IonicContact CZ-OE1 3.69Å; R102-E105 IonicContact CZ-OE2 3.39Å; R102-E105 IonicContact NE-OE1 3.33Å; R102-E105 PolarHBondContact NE-OE1 3.2Å; R102-E105 IonicContact NE-OE2 2.86Å; R102-E105 PolarHBondContact NE-OE2 3.16Å; R102-E105 IonicContact NH2-OE1 3.55Å; R102-E105 PolarHBondContact NH2-OE1 2.93Å; R102-E105 IonicContact NH2-OE2 2.73Å; R102-E105 PolarHBondContact NH2-OE2 3.17Å; R102-E105 WeakPolarHBondContact O-CB 3.44Å; R102-E105 PolarHBondContact O-N 3.23Å; R103-E105 VanDerWaalsContact C-N 3.26Å; E105-A107 PolarHBondContact O-N 2.57Å; E105-F108 HydrophobicContact CB-CB 4.43Å; E105-F108 HydrophobicContact CB-CD2 3.98Å; E105-F108 PolarHBondContact O-N 2.99Å; E105-D109 PolarHBondContact O-N 3.31Å; E105-D109 VanDerWaalsContact O-N 3.08Å |
| 106 | P | 98.1 | Very high | 97.6 | Very high | 97 Ų | 97 | 78.3 Ų | 78.3 | 63% | 0.63 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -57.2 | -24.1 | -175.9 | -28.1 | 35.2 | 0 | 0 | 0 | 115.1 | K110 | P106-K110 WeakPolarHBondContact O-CG 3.32Å |
| 107 | A | 97.9 | Very high | 97.4 | Very high | 46 Ų | 46 | 75.3 Ų | 75.3 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.3 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | V76 E105 K110 W111 | V76-A107 HydrophobicContact CG1-CB 3.87Å; E105-A107 PolarHBondContact O-N 2.57Å; A107-K110 PolarHBondContact O-N 2.97Å; A107-W111 PolarHBondContact O-N 2.84Å |
| 108 | F | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 70.3 Ų | 70.3 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -77 | -30.7 | 179.9 | -77.8 | -95.9 | 0 | 0 | 0 | 112.6 | I73 V76 E77 R99 R102 E105 K110 W111 | I73-F108 HydrophobicContact CG1-CE1 4.31Å; I73-F108 HydrophobicContact CG2-CE1 4.2Å; I73-F108 HydrophobicContact CG2-CZ 4.03Å; V76-F108 HydrophobicContact CB-CZ 4.39Å; V76-F108 HydrophobicContact CG1-CD1 4.23Å; V76-F108 HydrophobicContact CG1-CD2 3.83Å; V76-F108 HydrophobicContact CG1-CE1 4.2Å; V76-F108 HydrophobicContact CG1-CE2 3.77Å; V76-F108 HydrophobicContact CG1-CG 4.03Å; V76-F108 HydrophobicContact CG1-CZ 3.96Å; E77-F108 HydrophobicContact CG-CE2 4.05Å; E77-F108 HydrophobicContact CG-CZ 3.91Å; R99-F108 WeakPolarHBondContact CG-O 3.4Å; R102-F108 HydrophobicContact CB-CB 4.06Å; R102-F108 HydrophobicContact CB-CD1 3.88Å; R102-F108 HydrophobicContact CB-CD2 4.1Å; R102-F108 HydrophobicContact CB-CE1 4.41Å; R102-F108 HydrophobicContact CB-CG 3.72Å; R102-F108 VanDerWaalsContact NH2-CE2 3.25Å; R102-F108 WeakPolarHBondContact O-CB 3.45Å; E105-F108 HydrophobicContact CB-CB 4.43Å; E105-F108 HydrophobicContact CB-CD2 3.98Å; E105-F108 PolarHBondContact O-N 2.99Å; F108-K110 PolarHBondContact O-N 2.74Å; F108-W111 AromaticContact CD1-CE3 3.8Å; F108-W111 HydrophobicContact CD1-CE3 3.8Å; F108-W111 HydrophobicContact CD1-CZ3 4.21Å; F108-W111 HydrophobicContact CE1-CE3 4.12Å; F108-W111 HydrophobicContact CE1-CZ3 4.23Å; F108-W111 WeakPolarHBondContact O-CB 3.38Å; F108-W111 PolarHBondContact O-N 3.02Å |
| 109 | D | 97.8 | Very high | 97.4 | Very high | 115 Ų | 115 | 68.9 Ų | 68.9 | 62% | 0.615 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.8 | -34.5 | 172.2 | -171.7 | 60.2 | 0 | 0 | 0 | 112 | E105 | E105-D109 PolarHBondContact O-N 3.31Å; E105-D109 VanDerWaalsContact O-N 3.08Å |
| 110 | K | 97.9 | Very high | 97.3 | Very high | 157 Ų | 157 | 67 Ų | 67 | 68% | 0.683 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -6.4 | 177.3 | -66 | 175.2 | -174.5 | 179.8 | 0 | 114.3 | P106 A107 F108 V112 | P106-K110 WeakPolarHBondContact O-CG 3.32Å; A107-K110 PolarHBondContact O-N 2.97Å; F108-K110 PolarHBondContact O-N 2.74Å; K110-V112 PolarHBondContact O-N 2.82Å |
| 111 | W | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 1% | 0.011 | 30% | 0.297 | C | S | . | . | trans | -72.9 | 117.6 | -179.2 | 177.9 | 24.3 | 0 | 0 | 0 | 110.4 | I73 V76 S84 A95 R99 A107 F108 I113 | I73-W111 HydrophobicContact CD1-CH2 4.29Å; I73-W111 HydrophobicContact CG1-CH2 3.65Å; I73-W111 HydrophobicContact CG1-CZ3 3.79Å; V76-W111 HydrophobicContact CG2-CB 3.96Å; V76-W111 HydrophobicContact CG2-CD2 4.02Å; V76-W111 HydrophobicContact CG2-CG 3.68Å; S84-W111 PolarHBondContact OG-NE1 3.4Å; A95-W111 HydrophobicContact CB-CH2 3.94Å; A95-W111 HydrophobicContact CB-CZ2 4.29Å; R99-W111 HydrophobicContact CB-CE3 3.69Å; R99-W111 HydrophobicContact CB-CZ3 3.83Å; R99-W111 WeakPolarHBondContact CD-O 3.37Å; R99-W111 HydrophobicContact CG-CE3 3.92Å; R99-W111 PolarHBondContact NH1-O 2.83Å; A107-W111 PolarHBondContact O-N 2.84Å; F108-W111 AromaticContact CD1-CE3 3.8Å; F108-W111 HydrophobicContact CD1-CE3 3.8Å; F108-W111 HydrophobicContact CD1-CZ3 4.21Å; F108-W111 HydrophobicContact CE1-CE3 4.12Å; F108-W111 HydrophobicContact CE1-CZ3 4.23Å; F108-W111 WeakPolarHBondContact O-CB 3.38Å; F108-W111 PolarHBondContact O-N 3.02Å; W111-I113 HydrophobicContact CD2-CD1 3.76Å; W111-I113 HydrophobicContact CD2-CG1 3.85Å; W111-I113 VanDerWaalsContact CE2-CG1 3.47Å; W111-I113 HydrophobicContact CE3-CD1 3.83Å; W111-I113 HydrophobicContact CE3-CG1 4.43Å; W111-I113 HydrophobicContact CG-CG1 4.22Å; W111-I113 HydrophobicContact CH2-CD1 3.58Å; W111-I113 HydrophobicContact CH2-CG1 4.33Å; W111-I113 HydrophobicContact CZ2-CD1 3.5Å; W111-I113 HydrophobicContact CZ2-CG1 3.74Å; W111-I113 HydrophobicContact CZ3-CD1 3.75Å | ||
| 112 | V | 98.2 | Very high | 96.9 | Very high | 57 Ų | 57 | 59 Ų | 59 | 35% | 0.345 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 129.2 | 179.5 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | V82 M83 S84 K110 E114 | V82-V112 PolarHBondContact O-N 3.17Å; M83-V112 CarbonylContact C-O 3.18Å; M83-V112 WeakPolarHBondContact CA-O 3.25Å; M83-V112 HydrophobicContact CB-CB 4.22Å; M83-V112 HydrophobicContact CE-CG1 4Å; M83-V112 HydrophobicContact CG-CB 4Å; M83-V112 HydrophobicContact CG-CG1 3.88Å; M83-V112 HydrophobicContact SD-CG1 4.16Å; S84-V112 PolarHBondContact N-O 3.32Å; K110-V112 PolarHBondContact O-N 2.82Å; V112-E114 HydrophobicContact CG1-CG 3.98Å |
| 113 | I | 98.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 117.9 | 178.2 | -54.2 | 172.6 | 0 | 0 | 0 | 107.3 | S84 L92 A95 L96 R99 W111 | S84-I113 VanDerWaalsContact O-CA 3.31Å; S84-I113 WeakPolarHBondContact O-CA 3.49Å; L92-I113 HydrophobicContact CD2-CG2 3.77Å; A95-I113 HydrophobicContact CB-CD1 4.03Å; A95-I113 HydrophobicContact CB-CG2 4.47Å; L96-I113 HydrophobicContact CD2-CB 3.95Å; L96-I113 HydrophobicContact CD2-CD1 4.25Å; L96-I113 HydrophobicContact CD2-CG2 4Å; L96-I113 HydrophobicContact CG-CG2 4.1Å; R99-I113 HydrophobicContact CB-CD1 3.84Å; R99-I113 HydrophobicContact CG-CD1 4.39Å; W111-I113 HydrophobicContact CD2-CD1 3.76Å; W111-I113 HydrophobicContact CD2-CG1 3.85Å; W111-I113 VanDerWaalsContact CE2-CG1 3.47Å; W111-I113 HydrophobicContact CE3-CD1 3.83Å; W111-I113 HydrophobicContact CE3-CG1 4.43Å; W111-I113 HydrophobicContact CG-CG1 4.22Å; W111-I113 HydrophobicContact CH2-CD1 3.58Å; W111-I113 HydrophobicContact CH2-CG1 4.33Å; W111-I113 HydrophobicContact CZ2-CD1 3.5Å; W111-I113 HydrophobicContact CZ2-CG1 3.74Å; W111-I113 HydrophobicContact CZ3-CD1 3.75Å |
| 114 | E | 97 | Very high | 96.4 | Very high | 103 Ų | 103 | 63.3 Ų | 63.3 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 162 | -177.9 | -62.5 | -60.5 | 158.3 | 0 | 0 | 111.1 | M83 S84 V85 L92 V112 | M83-E114 HydrophobicContact CE-CB 4.34Å; M83-E114 HydrophobicContact CE-CG 4.07Å; S84-E114 PolarHBondContact O-N 3.38Å; V85-E114 VanDerWaalsContact CA-O 3.25Å; V85-E114 WeakPolarHBondContact CA-O 3.16Å; V85-E114 HydrophobicContact CG1-CB 4.24Å; L92-E114 WeakPolarHBondContact CD1-O 3.23Å; V112-E114 HydrophobicContact CG1-CG 3.98Å |
| 115 | E | 95.9 | Very high | 96.3 | Very high | 103 Ų | 103 | 56.3 Ų | 56.3 | 48% | 0.481 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 133.1 | 169.5 | -170.7 | -175.6 | 148.3 | 0 | 0 | 109.7 | D86 L92 | D86-E115 WeakPolarHBondContact O-CA 3.31Å; L92-E115 HydrophobicContact CD1-CB 4.18Å |
| 116 | A | 95.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 5% | 0.05 | 30% | 0.302 | C | S | . | . | trans | -154.8 | 154.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V85 D86 A87 L121 D124 V125 | V85-A116 HydrophobicContact CB-CB 3.63Å; V85-A116 HydrophobicContact CG1-CB 3.94Å; V85-A116 HydrophobicContact CG2-CB 3.85Å; D86-A116 CarbonylContact C-O 3.53Å; D86-A116 PolarHBondContact O-N 2.94Å; A87-A116 WeakPolarHBondContact CA-O 3.31Å; A87-A116 PolarHBondContact N-O 3.22Å; A116-L121 HydrophobicContact CB-CD1 3.82Å; A116-D124 HydrophobicContact CB-CB 3.59Å; A116-V125 HydrophobicContact CB-CG2 4.09Å | ||
| 117 | N | 94.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | trans | -119.1 | 135 | 178.6 | -178.5 | -27.3 | 0 | 0 | 0 | 110.1 | E16 L18 M119 T120 L121 D124 | E16-N117 PolarHBondContact O-ND2 3.26Å; E16-N117 VanDerWaalsContact O-ND2 3.12Å; L18-N117 WeakPolarHBondContact CD1-OD1 3.38Å; N117-M119 PolarHBondContact O-N 3.34Å; N117-M119 WeakPolarHBondContact OD1-CB 3.38Å; N117-M119 PolarHBondContact OD1-N 2.88Å; N117-T120 CarbonylContact O-C 3.51Å; N117-T120 PolarHBondContact O-N 3.38Å; N117-T120 PolarHBondContact O-OG1 2.77Å; N117-L121 WeakPolarHBondContact O-CA 3.37Å; N117-L121 PolarHBondContact O-N 3.5Å; N117-D124 PolarHBondContact N-OD2 3.07Å | ||
| 118 | W | 97.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 57.6 Ų | 57.6 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -30 | 179.7 | -55.8 | -30.7 | 0 | 0 | 0 | 113.4 | V64 A65 T120 S142 F143 L146 A159 N162 I163 | V64-W118 PolarHBondContact O-NE1 3.1Å; A65-W118 HydrophobicContact CB-CZ2 4.3Å; W118-T120 VanDerWaalsContact C-N 3.26Å; W118-T120 PolarHBondContact O-N 2.62Å; W118-S142 WeakPolarHBondContact CH2-O 3.42Å; W118-F143 AromaticContact CE3-CD2 3.95Å; W118-F143 HydrophobicContact CE3-CD2 3.95Å; W118-F143 HydrophobicContact CE3-CE2 4.22Å; W118-F143 AromaticContact CZ3-CD2 3.95Å; W118-F143 HydrophobicContact CZ3-CD2 3.95Å; W118-L146 HydrophobicContact CE3-CB 4.49Å; W118-L146 HydrophobicContact CE3-CD2 4.46Å; W118-L146 HydrophobicContact CZ3-CB 4.3Å; W118-A159 HydrophobicContact CB-CB 3.72Å; W118-N162 VanDerWaalsContact O-CB 3.23Å; W118-N162 WeakPolarHBondContact O-CB 3.47Å; W118-N162 PolarHBondContact O-ND2 3.2Å; W118-I163 HydrophobicContact CB-CD1 4.26Å; W118-I163 HydrophobicContact CB-CG1 4.42Å; W118-I163 HydrophobicContact CD2-CD1 4.1Å; W118-I163 HydrophobicContact CG-CD1 3.83Å; W118-I163 HydrophobicContact CG-CG1 4.22Å |
| 119 | M | 95.2 | Very high | 91.7 | Very high | 35 Ų | 35 | 63.2 Ų | 63.2 | 17% | 0.172 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -22.2 | 178.6 | -62.1 | -59.6 | -71.8 | 0 | 0 | 113.6 | L18 N117 L146 E155 L158 A159 N162 | L18-M119 HydrophobicContact CD1-CG 4.02Å; N117-M119 PolarHBondContact O-N 3.34Å; N117-M119 WeakPolarHBondContact OD1-CB 3.38Å; N117-M119 PolarHBondContact OD1-N 2.88Å; M119-L146 HydrophobicContact SD-CD2 4.32Å; M119-E155 HydrophobicContact CE-CB 3.97Å; M119-E155 HydrophobicContact CE-CG 3.95Å; M119-E155 HydrophobicContact SD-CB 4.26Å; M119-E155 VanDerWaalsContact SD-O 3.41Å; M119-L158 HydrophobicContact CE-CB 4.26Å; M119-L158 HydrophobicContact CE-CD2 3.67Å; M119-L158 HydrophobicContact CE-CG 4.21Å; M119-L158 HydrophobicContact SD-CB 4.47Å; M119-L158 HydrophobicContact SD-CG 4.49Å; M119-A159 HydrophobicContact SD-CB 3.99Å; M119-N162 PolarHBondContact O-ND2 3.21Å; M119-N162 VanDerWaalsContact O-ND2 3.1Å |
| 120 | T | 95.7 | Very high | 90 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 19% | 0.19 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | 13.4 | -177 | 48.8 | 0 | 0 | 0 | 0 | 112.9 | N117 W118 D122 K123 D124 | N117-T120 CarbonylContact O-C 3.51Å; N117-T120 PolarHBondContact O-N 3.38Å; N117-T120 PolarHBondContact O-OG1 2.77Å; W118-T120 VanDerWaalsContact C-N 3.26Å; W118-T120 PolarHBondContact O-N 2.62Å; T120-D122 VanDerWaalsContact C-OD1 3.29Å; T120-D122 PolarHBondContact O-N 2.82Å; T120-K123 WeakPolarHBondContact O-CA 3.4Å; T120-K123 WeakPolarHBondContact O-CB 3.29Å; T120-K123 PolarHBondContact O-N 2.87Å; T120-D124 WeakPolarHBondContact CB-OD2 3.41Å; T120-D124 PolarHBondContact O-N 3.39Å; T120-D124 PolarHBondContact OG1-OD1 3.35Å; T120-D124 PolarHBondContact OG1-OD2 3.31Å |
| 121 | L | 95.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.2 | -29.1 | -172.7 | -165.6 | 70.3 | 0 | 0 | 0 | 113.3 | V64 V85 A116 N117 K123 D124 V125 N162 I163 M166 | V64-L121 HydrophobicContact CG1-CD2 3.92Å; V85-L121 HydrophobicContact CG2-CD1 4.05Å; A116-L121 HydrophobicContact CB-CD1 3.82Å; N117-L121 WeakPolarHBondContact O-CA 3.37Å; N117-L121 PolarHBondContact O-N 3.5Å; L121-K123 PolarHBondContact O-N 3.01Å; L121-D124 PolarHBondContact O-N 3.39Å; L121-V125 HydrophobicContact CD1-CB 4.4Å; L121-V125 HydrophobicContact CD1-CG2 3.62Å; L121-V125 HydrophobicContact CG-CG2 4.29Å; L121-V125 PolarHBondContact O-N 2.77Å; L121-N162 HydrophobicContact CB-CB 4.09Å; L121-I163 HydrophobicContact CD2-CG1 4.08Å; L121-M166 HydrophobicContact CD2-CG 3.74Å; L121-M166 HydrophobicContact CG-CG 4.18Å |
| 122 | D | 91.4 | Very high | 88.8 | Confident | 81 Ų | 81 | 59.5 Ų | 59.5 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63 | -23.4 | 175.1 | 62.3 | -49.6 | 0 | 0 | 0 | 113.6 | T120 | T120-D122 VanDerWaalsContact C-OD1 3.29Å; T120-D122 PolarHBondContact O-N 2.82Å |
| 123 | K | 93 | Very high | 88.7 | Confident | 164 Ų | 164 | 57.3 Ų | 57.3 | 71% | 0.713 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -102.7 | -36.1 | 176.3 | -58.4 | 174.2 | -172.7 | 170.7 | 0 | 112 | T120 L121 | T120-K123 WeakPolarHBondContact O-CA 3.4Å; T120-K123 WeakPolarHBondContact O-CB 3.29Å; T120-K123 PolarHBondContact O-N 2.87Å; L121-K123 PolarHBondContact O-N 3.01Å |
| 124 | D | 93.6 | Very high | 88.7 | Confident | 66 Ų | 66 | 58.1 Ų | 58.1 | 35% | 0.353 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -74.1 | -36.5 | -174.3 | -56.8 | -19.1 | 0 | 0 | 0 | 111.7 | A116 N117 T120 L121 | A116-D124 HydrophobicContact CB-CB 3.59Å; N117-D124 PolarHBondContact N-OD2 3.07Å; T120-D124 WeakPolarHBondContact CB-OD2 3.41Å; T120-D124 PolarHBondContact O-N 3.39Å; T120-D124 PolarHBondContact OG1-OD1 3.35Å; T120-D124 PolarHBondContact OG1-OD2 3.31Å; L121-D124 PolarHBondContact O-N 3.39Å |
| 125 | V | 94 | Very high | 88.8 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -109.6 | 115.5 | -179.4 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | L62 M83 V85 A116 L121 Q127 F133 M166 | L62-V125 HydrophobicContact CD1-CG1 4.43Å; L62-V125 HydrophobicContact CD2-CG1 4.48Å; M83-V125 HydrophobicContact CE-CG1 4.13Å; M83-V125 HydrophobicContact CE-CG2 4.34Å; M83-V125 HydrophobicContact SD-CG1 4.07Å; V85-V125 HydrophobicContact CG1-CG2 3.89Å; V85-V125 HydrophobicContact CG2-CG2 4.42Å; A116-V125 HydrophobicContact CB-CG2 4.09Å; L121-V125 HydrophobicContact CD1-CB 4.4Å; L121-V125 HydrophobicContact CD1-CG2 3.62Å; L121-V125 HydrophobicContact CG-CG2 4.29Å; L121-V125 PolarHBondContact O-N 2.77Å; V125-Q127 PolarHBondContact O-N 2.63Å; V125-F133 HydrophobicContact CG1-CE2 3.96Å; V125-F133 HydrophobicContact CG1-CZ 4.19Å; V125-M166 HydrophobicContact CB-SD 4.22Å; V125-M166 HydrophobicContact CG1-SD 4.1Å |
| 126 | P | 86.1 | Confident | 88.9 | Confident | 99 Ų | 99 | 48.3 Ų | 48.3 | 64% | 0.643 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 131.4 | -179.6 | 27.3 | -33 | 0 | 0 | 0 | 110.6 | ||
| 127 | Q | 76.5 | Confident | 89.1 | Confident | 111 Ų | 111 | 48.1 Ų | 48.1 | 52% | 0.519 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 134.2 | 167.6 | -66.1 | -168.9 | -16.2 | 0 | 0 | 109.5 | V125 S165 M166 | V125-Q127 PolarHBondContact O-N 2.63Å; Q127-S165 PolarHBondContact NE2-O 3.49Å; Q127-M166 HydrophobicContact CG-CE 4.29Å; Q127-M166 HydrophobicContact CG-SD 4.45Å |
| 128 | S | 70.6 | Confident | 89.3 | Confident | 39 Ų | 39 | 48 Ų | 48 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | -75.9 | 160.4 | 179.1 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | R60 E130 G131 | R60-S128 PolarHBondContact NH1-OG 3.12Å; R60-S128 VanDerWaalsContact NH2-CB 3.26Å; R60-S128 PolarHBondContact NH2-OG 2.57Å; S128-E130 PolarHBondContact O-N 2.81Å; S128-E130 VanDerWaalsContact O-N 3.13Å; S128-G131 PolarHBondContact N-O 3.41Å; S128-G131 WeakPolarHBondContact O-CA 3.32Å; S128-G131 PolarHBondContact O-N 2.84Å; S128-G131 PolarHBondContact OG-O 2.85Å |
| 129 | A | 62.7 | Low | 89.3 | Confident | 119 Ų | 119 | 46.9 Ų | 46.9 | 98% | 0.983 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -23.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G131 | A129-G131 VanDerWaalsContact C-N 3.29Š|
| 130 | E | 63.6 | Low | 89.2 | Confident | 158 Ų | 158 | 45.4 Ų | 45.4 | 74% | 0.738 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 0.7 | 175.6 | -59.6 | 175.7 | 167 | 0 | 0 | 113.2 | R60 S128 | R60-E130 IonicContact NH1-OE2 2.77Å; R60-E130 PolarHBondContact NH1-OE2 2.79Å; S128-E130 PolarHBondContact O-N 2.81Å; S128-E130 VanDerWaalsContact O-N 3.13Å |
| 131 | G | 79.8 | Confident | 89.2 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | 100 | -152.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S128 A129 | S128-G131 PolarHBondContact N-O 3.41Å; S128-G131 WeakPolarHBondContact O-CA 3.32Å; S128-G131 PolarHBondContact O-N 2.84Å; S128-G131 PolarHBondContact OG-O 2.85Å; A129-G131 VanDerWaalsContact C-N 3.29Å |
| 132 | G | 90.8 | Very high | 89.3 | Confident | 10 Ų | 10 | 45.2 Ų | 45.2 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -74.1 | -164.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | M166 | G132-M166 CarbonylContact C-O 3.49Å; G132-M166 WeakPolarHBondContact CA-O 3.23Å |
| 133 | F | 97 | Very high | 89.6 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 5% | 0.053 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 150.8 | 177.9 | -65.4 | -97.6 | 0 | 0 | 0 | 111.7 | R60 L62 M83 V125 A135 V136 M166 R168 | R60-F133 HydrophobicContact CB-CD1 4.32Å; L62-F133 HydrophobicContact CB-CB 4.16Å; L62-F133 HydrophobicContact CB-CD1 3.7Å; L62-F133 HydrophobicContact CB-CD2 3.66Å; L62-F133 HydrophobicContact CB-CE1 3.92Å; L62-F133 HydrophobicContact CB-CE2 3.9Å; L62-F133 HydrophobicContact CB-CG 3.56Å; L62-F133 HydrophobicContact CB-CZ 4.02Å; L62-F133 HydrophobicContact CD1-CE1 4.48Å; L62-F133 HydrophobicContact CD1-CE2 4.25Å; L62-F133 HydrophobicContact CD1-CZ 4.06Å; L62-F133 HydrophobicContact CD2-CD2 3.94Å; L62-F133 HydrophobicContact CD2-CE2 3.83Å; L62-F133 HydrophobicContact CD2-CZ 4.46Å; L62-F133 HydrophobicContact CG-CD2 4.34Å; L62-F133 HydrophobicContact CG-CE2 4.21Å; L62-F133 HydrophobicContact CG-CZ 4.4Å; M83-F133 HydrophobicContact CB-CE1 3.93Å; M83-F133 HydrophobicContact CB-CZ 4.18Å; M83-F133 HydrophobicContact SD-CZ 3.99Å; V125-F133 HydrophobicContact CG1-CE2 3.96Å; V125-F133 HydrophobicContact CG1-CZ 4.19Å; F133-A135 PolarHBondContact O-N 3.35Å; F133-V136 HydrophobicContact CB-CG2 4.28Å; F133-M166 HydrophobicContact CD2-CB 4.33Å; F133-M166 PolarHBondContact N-O 3.03Å; F133-R168 WeakPolarHBondContact O-CG 3.39Å; F133-R168 PolarHBondContact O-N 3.32Å |
| 134 | D | 97.6 | Very high | 89.8 | Confident | 22 Ų | 22 | 33.6 Ų | 33.6 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | -35.6 | 175.4 | -62.5 | -56 | 0 | 0 | 0 | 111.8 | C58 Q59 R60 R168 G171 L172 | C58-D134 HydrophobicContact CB-CB 3.69Å; Q59-D134 PolarHBondContact N-OD2 2.87Å; R60-D134 PolarHBondContact N-OD2 2.85Å; R60-D134 WeakPolarHBondContact O-CB 3.18Å; R60-D134 PolarHBondContact O-N 3.07Å; D134-R168 IonicContact OD1-CZ 2.68Å; D134-R168 IonicContact OD1-NE 3.14Å; D134-R168 PolarHBondContact OD1-NE 2.81Å; D134-R168 IonicContact OD1-NH2 2.74Å; D134-R168 PolarHBondContact OD1-NH2 3.13Å; D134-G171 CarbonylContact O-C 3.5Å; D134-G171 WeakPolarHBondContact O-CA 3.35Å; D134-L172 PolarHBondContact O-N 3.19Å |
| 135 | A | 98.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 144.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | L53 C58 R60 V61 L62 F133 L172 | L53-A135 HydrophobicContact CD2-CB 3.38Å; C58-A135 HydrophobicContact CB-CB 4.34Å; R60-A135 PolarHBondContact O-N 3.35Å; V61-A135 CarbonylContact C-O 3.51Å; V61-A135 VanDerWaalsContact CA-O 3.31Å; V61-A135 WeakPolarHBondContact CA-O 3.31Å; V61-A135 HydrophobicContact CG1-CB 4.32Å; V61-A135 HydrophobicContact CG2-CB 4.33Å; L62-A135 PolarHBondContact N-O 2.91Å; F133-A135 PolarHBondContact O-N 3.35Å; A135-L172 CarbonylContact C-O 3.6Å; A135-L172 VanDerWaalsContact CA-O 3.25Å; A135-L172 WeakPolarHBondContact CA-O 3.45Å; A135-L172 HydrophobicContact CB-CB 4.19Å |
| 136 | V | 98.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.6 | 169 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | L62 V64 F133 I163 M166 V167 L172 L173 V174 | L62-V136 HydrophobicContact CB-CG1 4.44Å; L62-V136 HydrophobicContact CB-CG2 4.26Å; L62-V136 HydrophobicContact CD2-CG1 4.33Å; L62-V136 HydrophobicContact CD2-CG2 4.47Å; L62-V136 CarbonylContact O-C 3.16Å; L62-V136 VanDerWaalsContact O-CA 3.27Å; L62-V136 WeakPolarHBondContact O-CA 3.2Å; V64-V136 HydrophobicContact CG1-CG1 3.79Å; V64-V136 HydrophobicContact CG2-CG1 4.32Å; F133-V136 HydrophobicContact CB-CG2 4.28Å; V136-I163 HydrophobicContact CG1-CG2 4.02Å; V136-M166 HydrophobicContact CG2-CB 3.88Å; V136-V167 HydrophobicContact CB-CG2 3.98Å; V136-V167 HydrophobicContact CG2-CB 4.4Å; V136-V167 HydrophobicContact CG2-CG2 3.57Å; V136-L172 PolarHBondContact N-O 3.44Å; V136-L173 HydrophobicContact CB-CD1 3.98Å; V136-L173 HydrophobicContact CG1-CD1 4.01Å; V136-L173 CarbonylContact O-C 3.31Å; V136-L173 WeakPolarHBondContact O-CA 3.46Å; V136-V174 PolarHBondContact O-N 3.22Å |
| 137 | I | 98.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.6 | 179.3 | 68.5 | 171.1 | 0 | 0 | 0 | 111.4 | V61 L62 D63 V64 D71 L75 V174 | V61-I137 HydrophobicContact CG1-CG1 4.42Å; V61-I137 HydrophobicContact CG1-CG2 4.19Å; L62-I137 PolarHBondContact O-N 3.49Å; D63-I137 HydrophobicContact CB-CD1 4.08Å; D63-I137 HydrophobicContact CB-CG1 3.82Å; V64-I137 WeakPolarHBondContact CG2-O 3.31Å; V64-I137 PolarHBondContact N-O 2.93Å; D71-I137 HydrophobicContact CB-CD1 4.23Å; L75-I137 HydrophobicContact CD1-CD1 3.79Å; I137-V174 CarbonylContact C-O 3.58Å; I137-V174 VanDerWaalsContact CA-O 3.31Å; I137-V174 WeakPolarHBondContact CA-O 3.47Å; I137-V174 HydrophobicContact CG2-CB 4.21Å |
| 138 | C | 98.6 | Very high | 91 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 82 | 173 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | V64 V174 I175 D176 | V64-C138 HydrophobicContact CG2-CB 3.61Å; C138-V174 PolarHBondContact N-O 2.79Å; C138-I175 HydrophobicContact CB-CB 4.2Å; C138-I175 HydrophobicContact CB-CD1 4.04Å; C138-I175 HydrophobicContact CB-CG1 3.86Å; C138-I175 VanDerWaalsContact O-CA 3.31Å; C138-I175 WeakPolarHBondContact O-CA 3.18Å; C138-D176 PolarHBondContact O-N 3.04Å; C138-D176 VanDerWaalsContact O-N 3.12Å |
| 139 | L | 97.1 | Very high | 91.9 | Very high | 6 Ų | 6 | 25.5 Ų | 25.5 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | trans | -105.9 | 166.9 | -172.7 | -63.2 | -179.7 | 0 | 0 | 0 | 112 | L49 S142 V174 D176 Y196 | L49-L139 HydrophobicContact CD2-CD1 4.12Å; L139-S142 PolarHBondContact O-OG 3.31Å; L139-V174 HydrophobicContact CD2-CG1 3.81Å; L139-D176 WeakPolarHBondContact CA-OD1 3.16Å; L139-D176 HydrophobicContact CD2-CB 4.29Å; L139-Y196 HydrophobicContact CB-CE1 4.48Å | ||
| 140 | G | 93.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 86.3 | 23 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S142 D176 | G140-S142 PolarHBondContact O-N 3.07Å; G140-D176 PolarHBondContact N-OD1 3.04Å; G140-D176 PolarHBondContact N-OD2 3Å |
| 141 | N | 96.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 3% | 0.027 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 61 | 27.3 | -174.1 | 174.2 | 74.3 | 0 | 0 | 0 | 112.7 | F143 A144 D176 R178 Y180 Y245 Y286 | N141-F143 PolarHBondContact O-N 2.9Å; N141-A144 PolarHBondContact O-N 2.96Å; N141-A144 VanDerWaalsContact OD1-CB 3.31Å; N141-A144 WeakPolarHBondContact OD1-CB 3.41Å; N141-D176 WeakPolarHBondContact CA-OD1 3.31Å; N141-D176 PolarHBondContact N-OD1 3.07Å; N141-R178 HydrophobicContact CB-CB 4.35Å; N141-R178 WeakPolarHBondContact OD1-CB 3.48Å; N141-R178 PolarHBondContact OD1-N 2.85Å; N141-Y180 PolarHBondContact ND2-OH 2.79Å; N141-Y180 WeakPolarHBondContact OD1-CE2 2.94Å; N141-Y180 PolarHBondContact OD1-OH 3.17Å; N141-Y245 WeakPolarHBondContact ND2-CD1 3.44Å; N141-Y245 WeakPolarHBondContact ND2-CE1 3.47Å; N141-Y286 HydrophobicContact CB-CD1 4.21Å; N141-Y286 HydrophobicContact CB-CE1 3.63Å |
| 142 | S | 96.6 | Very high | 95 | Very high | 22 Ų | 22 | 24 Ų | 24 | 15% | 0.154 | 14% | 0.142 | C | C | . | . | trans | -65.8 | -42.4 | -174 | -63.2 | 0 | 0 | 0 | 0 | 112 | A65 W118 L139 G140 A144 H145 | A65-S142 VanDerWaalsContact CB-CB 3.48Å; W118-S142 WeakPolarHBondContact CH2-O 3.42Å; L139-S142 PolarHBondContact O-OG 3.31Å; G140-S142 PolarHBondContact O-N 3.07Å; S142-A144 PolarHBondContact O-N 3.42Å; S142-A144 VanDerWaalsContact O-N 3.11Å; S142-H145 WeakPolarHBondContact O-CB 3.31Å; S142-H145 PolarHBondContact O-CD2 3.03Å; S142-H145 VanDerWaalsContact O-CD2 3.26Å; S142-H145 PolarHBondContact O-N 2.76Å | ||
| 143 | F | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -57.6 | -32.4 | -178.3 | -171.1 | -95.8 | 0 | 0 | 0 | 113.5 | W118 N141 H145 L146 H156 A159 L160 I163 I175 H248 F253 | W118-F143 AromaticContact CE3-CD2 3.95Å; W118-F143 HydrophobicContact CE3-CD2 3.95Å; W118-F143 HydrophobicContact CE3-CE2 4.22Å; W118-F143 AromaticContact CZ3-CD2 3.95Å; W118-F143 HydrophobicContact CZ3-CD2 3.95Å; N141-F143 PolarHBondContact O-N 2.9Å; F143-H145 PolarHBondContact O-N 3.17Å; F143-L146 HydrophobicContact CE2-CD2 4.35Å; F143-L146 HydrophobicContact CZ-CD2 4.26Å; F143-L146 PolarHBondContact O-N 2.99Å; F143-L146 VanDerWaalsContact O-N 3.1Å; F143-H156 HydrophobicContact CE1-CB 4.29Å; F143-H156 HydrophobicContact CZ-CB 4.12Å; F143-A159 HydrophobicContact CE2-CB 3.87Å; F143-A159 HydrophobicContact CZ-CB 4.28Å; F143-L160 HydrophobicContact CD1-CD2 4.48Å; F143-L160 HydrophobicContact CD2-CD2 3.97Å; F143-L160 HydrophobicContact CE1-CD1 4.21Å; F143-L160 HydrophobicContact CE1-CD2 4.1Å; F143-L160 HydrophobicContact CE1-CG 4.08Å; F143-L160 HydrophobicContact CE2-CD2 3.52Å; F143-L160 HydrophobicContact CE2-CG 3.74Å; F143-L160 HydrophobicContact CG-CD2 4.42Å; F143-L160 HydrophobicContact CZ-CD1 3.98Å; F143-L160 HydrophobicContact CZ-CD2 3.61Å; F143-L160 HydrophobicContact CZ-CG 3.42Å; F143-L160 VanDerWaalsContact CZ-CG 3.42Å; F143-I163 HydrophobicContact CD2-CD1 4.08Å; F143-I163 HydrophobicContact CE2-CD1 4.14Å; F143-I175 HydrophobicContact CB-CD1 3.99Å; F143-I175 HydrophobicContact CB-CG1 4.46Å; F143-I175 HydrophobicContact CD2-CD1 4.13Å; F143-I175 HydrophobicContact CG-CD1 4.04Å; F143-H248 AromaticContact CD1-NE2 3.68Å; F143-H248 AromaticContact CE1-CE1 3.88Å; F143-H248 AromaticContact CE1-NE2 3.69Å; F143-F253 AromaticContact CD1-CE2 3.46Å; F143-F253 HydrophobicContact CD1-CE2 3.46Å; F143-F253 VanDerWaalsContact CD1-CE2 3.46Å; F143-F253 AromaticContact CD1-CZ 3.84Å; F143-F253 HydrophobicContact CD1-CZ 3.84Å; F143-F253 AromaticContact CE1-CE2 3.71Å; F143-F253 HydrophobicContact CE1-CE2 3.71Å; F143-F253 HydrophobicContact CE1-CZ 4.42Å; F143-F253 HydrophobicContact CG-CE2 4.37Å; F143-F253 HydrophobicContact CG-CZ 4.35Å |
| 144 | A | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -64.1 | -12 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N141 S142 L146 Y180 Y245 Y246 | N141-A144 PolarHBondContact O-N 2.96Å; N141-A144 VanDerWaalsContact OD1-CB 3.31Å; N141-A144 WeakPolarHBondContact OD1-CB 3.41Å; S142-A144 PolarHBondContact O-N 3.42Å; S142-A144 VanDerWaalsContact O-N 3.11Å; A144-L146 PolarHBondContact O-N 3.28Å; A144-Y180 HydrophobicContact CB-CE2 3.92Å; A144-Y180 WeakPolarHBondContact CB-OH 3.4Å; A144-Y245 HydrophobicContact CB-CD1 4.09Å; A144-Y245 CarbonylContact O-C 3.59Å; A144-Y245 WeakPolarHBondContact O-CA 3.42Å; A144-Y246 PolarHBondContact O-N 3.42Å |
| 145 | H | 94.9 | Very high | 95.1 | Very high | 21 Ų | 21 | 25.5 Ų | 25.5 | 10% | 0.097 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -68.1 | -21.7 | 172.9 | -78.2 | -77.2 | 0 | 0 | 0 | 114 | Q21 Y22 S142 F143 P147 Y245 | Q21-H145 PolarHBondContact NE2-ND1 3.36Å; Q21-H145 PolarHBondContact NE2-O 2.94Å; Y22-H145 AromaticContact CZ-CE1 3.9Å; Y22-H145 PolarHBondContact OH-CE1 3.31Å; Y22-H145 PolarHBondContact OH-NE2 2.8Å; S142-H145 WeakPolarHBondContact O-CB 3.31Å; S142-H145 PolarHBondContact O-CD2 3.03Å; S142-H145 VanDerWaalsContact O-CD2 3.26Å; S142-H145 PolarHBondContact O-N 2.76Å; F143-H145 PolarHBondContact O-N 3.17Å; H145-P147 WeakPolarHBondContact O-CD 3.37Å; H145-Y245 AromaticContact CD2-CE1 3.94Å; H145-Y245 AromaticContact CE1-CE1 3.32Å; H145-Y245 WeakPolarHBondContact CE1-CE1 3.23Å; H145-Y245 AromaticContact CE1-CZ 3.85Å; H145-Y245 AromaticContact ND1-CE1 3.91Å; H145-Y245 AromaticContact NE2-CE1 3.31Å; H145-Y245 VanDerWaalsContact NE2-CE1 3.31Å; H145-Y245 WeakPolarHBondContact NE2-CE1 3.31Å |
| 146 | L | 95 | Very high | 95.1 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -72.9 | 113.2 | 178.5 | -177.2 | 54.5 | 0 | 0 | 0 | 109.2 | L18 W118 M119 F143 A144 H156 A159 | L18-L146 HydrophobicContact CD1-CD1 3.79Å; L18-L146 HydrophobicContact CD2-CD1 4.19Å; L18-L146 HydrophobicContact CG-CD1 3.92Å; W118-L146 HydrophobicContact CE3-CB 4.49Å; W118-L146 HydrophobicContact CE3-CD2 4.46Å; W118-L146 HydrophobicContact CZ3-CB 4.3Å; M119-L146 HydrophobicContact SD-CD2 4.32Å; F143-L146 HydrophobicContact CE2-CD2 4.35Å; F143-L146 HydrophobicContact CZ-CD2 4.26Å; F143-L146 PolarHBondContact O-N 2.99Å; F143-L146 VanDerWaalsContact O-N 3.1Å; A144-L146 PolarHBondContact O-N 3.28Å; L146-H156 PolarHBondContact O-NE2 3.36Å; L146-A159 HydrophobicContact CD2-CB 3.46Å; L146-A159 VanDerWaalsContact CD2-CB 3.46Å |
| 147 | P | 92.9 | Very high | 95.1 | Very high | 38 Ų | 38 | 31.9 Ų | 31.9 | 25% | 0.247 | 17% | 0.174 | C | C | . | . | trans | -70.7 | 163.3 | 176.5 | 31.3 | -37.9 | 0 | 0 | 0 | 111.7 | H145 C149 | H145-P147 WeakPolarHBondContact O-CD 3.37Å; P147-C149 VanDerWaalsContact CG-SG 3.53Å | ||
| 148 | D | 92.6 | Very high | 95 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | trans | -100.6 | 77.4 | 166.6 | -179.6 | 15 | 0 | 0 | 0 | 108.6 | K150 G151 D152 Q153 H217 Y246 | D148-K150 VanDerWaalsContact C-N 3.27Å; D148-K150 PolarHBondContact O-N 3.23Å; D148-G151 PolarHBondContact O-N 3.48Å; D148-G151 VanDerWaalsContact OD1-CA 3.24Å; D148-G151 WeakPolarHBondContact OD1-CA 3.05Å; D148-G151 PolarHBondContact OD1-N 2.85Å; D148-G151 VanDerWaalsContact OD2-C 3.23Å; D148-G151 WeakPolarHBondContact OD2-CA 3.46Å; D148-D152 PolarHBondContact OD1-N 3.28Å; D148-D152 VanDerWaalsContact OD1-N 3.12Å; D148-Q153 WeakPolarHBondContact OD1-CA 3.43Å; D148-Q153 PolarHBondContact OD1-N 3.42Å; D148-Q153 PolarHBondContact OD2-N 3.49Å; D148-H217 PolarHBondContact O-CE1 2.67Å; D148-Y246 HydrophobicContact CB-CD2 3.7Å; D148-Y246 HydrophobicContact CB-CE2 3.35Å | ||
| 149 | C | 88.4 | Confident | 95 | Very high | 82 Ų | 82 | 35.3 Ų | 35.3 | 55% | 0.554 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -69.7 | -29.1 | -174.2 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | P147 E155 | P147-C149 VanDerWaalsContact CG-SG 3.53Å; C149-E155 WeakPolarHBondContact CB-OE2 3.12Å; C149-E155 PolarHBondContact N-OE2 2.93Å |
| 150 | K | 88.7 | Confident | 95.1 | Very high | 146 Ų | 146 | 35.1 Ų | 35.1 | 64% | 0.635 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -87.2 | -19.4 | -179.3 | -65.2 | 177.2 | -176.5 | 175.1 | 0 | 113.5 | D148 S154 E155 | D148-K150 VanDerWaalsContact C-N 3.27Å; D148-K150 PolarHBondContact O-N 3.23Å; K150-S154 WeakPolarHBondContact CD-OG 3.21Å; K150-E155 HydrophobicContact CD-CG 4.5Å |
| 151 | G | 89.4 | Confident | 95.3 | Very high | 38 Ų | 38 | 41.2 Ų | 41.2 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 86.7 | -1.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D148 | D148-G151 PolarHBondContact O-N 3.48Å; D148-G151 VanDerWaalsContact OD1-CA 3.24Å; D148-G151 WeakPolarHBondContact OD1-CA 3.05Å; D148-G151 PolarHBondContact OD1-N 2.85Å; D148-G151 VanDerWaalsContact OD2-C 3.23Å; D148-G151 WeakPolarHBondContact OD2-CA 3.46Å |
| 152 | D | 93.3 | Very high | 95.3 | Very high | 91 Ų | 91 | 41.4 Ų | 41.4 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -112.5 | 1.3 | -176.4 | 70.5 | -6.3 | 0 | 0 | 0 | 114 | D148 S154 | D148-D152 PolarHBondContact OD1-N 3.28Å; D148-D152 VanDerWaalsContact OD1-N 3.12Å; D152-S154 PolarHBondContact O-N 3Å; D152-S154 WeakPolarHBondContact OD1-CB 3.21Å; D152-S154 PolarHBondContact OD1-N 3.22Å; D152-S154 PolarHBondContact OD1-OG 3.33Å; D152-S154 PolarHBondContact OD2-OG 3.43Å |
| 153 | Q | 96.1 | Very high | 95.4 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | trans | 56.7 | 21.6 | -173.7 | -56.2 | 179.8 | -5.5 | 0 | 0 | 114.2 | D148 E155 H156 R157 Y246 | D148-Q153 WeakPolarHBondContact OD1-CA 3.43Å; D148-Q153 PolarHBondContact OD1-N 3.42Å; D148-Q153 PolarHBondContact OD2-N 3.49Å; Q153-E155 PolarHBondContact O-N 2.94Å; Q153-H156 HydrophobicContact CB-CB 4.2Å; Q153-H156 WeakPolarHBondContact CG-ND1 3.31Å; Q153-H156 PolarHBondContact O-N 3.19Å; Q153-R157 WeakPolarHBondContact O-CG 3.3Å; Q153-R157 PolarHBondContact O-N 3.46Å; Q153-Y246 PolarHBondContact NE2-OH 3.12Å | ||
| 154 | S | 96.6 | Very high | 95.4 | Very high | 34 Ų | 34 | 40.4 Ų | 40.4 | 24% | 0.238 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.2 | -34.6 | 176.3 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | K150 D152 R157 L158 | K150-S154 WeakPolarHBondContact CD-OG 3.21Å; D152-S154 PolarHBondContact O-N 3Å; D152-S154 WeakPolarHBondContact OD1-CB 3.21Å; D152-S154 PolarHBondContact OD1-N 3.22Å; D152-S154 PolarHBondContact OD1-OG 3.33Å; D152-S154 PolarHBondContact OD2-OG 3.43Å; S154-R157 PolarHBondContact O-N 3.45Å; S154-L158 WeakPolarHBondContact O-CB 3.33Å; S154-L158 PolarHBondContact O-N 3.06Å |
| 155 | E | 95.5 | Very high | 95.3 | Very high | 23 Ų | 23 | 42 Ų | 42 | 11% | 0.107 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65 | -45.5 | 174.9 | -65.3 | 168.3 | 129.1 | 0 | 0 | 111.1 | M119 C149 K150 Q153 R157 L158 A159 | M119-E155 HydrophobicContact CE-CB 3.97Å; M119-E155 HydrophobicContact CE-CG 3.95Å; M119-E155 HydrophobicContact SD-CB 4.26Å; M119-E155 VanDerWaalsContact SD-O 3.41Å; C149-E155 WeakPolarHBondContact CB-OE2 3.12Å; C149-E155 PolarHBondContact N-OE2 2.93Å; K150-E155 HydrophobicContact CD-CG 4.5Å; Q153-E155 PolarHBondContact O-N 2.94Å; E155-R157 PolarHBondContact O-N 3.36Å; E155-L158 PolarHBondContact O-N 3.21Å; E155-A159 WeakPolarHBondContact O-CB 3.46Å; E155-A159 PolarHBondContact O-N 3.23Å |
| 156 | H | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 174.9 | -58.2 | 150.1 | 0 | 0 | 0 | 112.1 | F143 L146 Q153 L158 A159 L160 Y246 H248 | F143-H156 HydrophobicContact CE1-CB 4.29Å; F143-H156 HydrophobicContact CZ-CB 4.12Å; L146-H156 PolarHBondContact O-NE2 3.36Å; Q153-H156 HydrophobicContact CB-CB 4.2Å; Q153-H156 WeakPolarHBondContact CG-ND1 3.31Å; Q153-H156 PolarHBondContact O-N 3.19Å; H156-L158 PolarHBondContact O-N 2.89Å; H156-A159 PolarHBondContact O-N 3.14Å; H156-L160 WeakPolarHBondContact O-CB 3.35Å; H156-L160 VanDerWaalsContact O-CG 3.31Å; H156-L160 WeakPolarHBondContact O-CG 3.07Å; H156-L160 PolarHBondContact O-N 2.87Å; H156-Y246 AromaticContact CE1-CD1 3.58Å; H156-Y246 AromaticContact CE1-CD2 3.68Å; H156-Y246 AromaticContact CE1-CE1 3.83Å; H156-Y246 AromaticContact CE1-CE2 3.92Å; H156-Y246 AromaticContact CE1-CG 3.46Å; H156-Y246 VanDerWaalsContact CE1-CG 3.46Å; H156-Y246 AromaticContact CE1-CZ 3.97Å; H156-Y246 AromaticContact NE2-CG 3.98Å; H156-H248 AromaticContact CE1-CE1 3.67Å; H156-H248 AromaticContact CG-CE1 3.98Å; H156-H248 AromaticContact ND1-CE1 3.66Å; H156-H248 AromaticContact NE2-CE1 3.99Å |
| 157 | R | 98.4 | Very high | 95.5 | Very high | 134 Ų | 134 | 40.9 Ų | 40.9 | 51% | 0.506 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 178.8 | -69.4 | 175 | -165.1 | -78.4 | -3.7 | 111.6 | Q153 S154 E155 K161 L256 | Q153-R157 WeakPolarHBondContact O-CG 3.3Å; Q153-R157 PolarHBondContact O-N 3.46Å; S154-R157 PolarHBondContact O-N 3.45Å; E155-R157 PolarHBondContact O-N 3.36Å; R157-K161 VanDerWaalsContact O-CB 3.23Å; R157-K161 WeakPolarHBondContact O-CB 3.29Å; R157-K161 PolarHBondContact O-N 2.79Å; R157-L256 HydrophobicContact CG-CD2 3.67Å |
| 158 | L | 97.7 | Very high | 95.6 | Very high | 73 Ų | 73 | 43 Ų | 43 | 38% | 0.382 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.7 | -49.4 | 177.6 | 178.7 | 55.3 | 0 | 0 | 0 | 111.2 | M119 S154 E155 H156 L160 K161 N162 | M119-L158 HydrophobicContact CE-CB 4.26Å; M119-L158 HydrophobicContact CE-CD2 3.67Å; M119-L158 HydrophobicContact CE-CG 4.21Å; M119-L158 HydrophobicContact SD-CB 4.47Å; M119-L158 HydrophobicContact SD-CG 4.49Å; S154-L158 WeakPolarHBondContact O-CB 3.33Å; S154-L158 PolarHBondContact O-N 3.06Å; E155-L158 PolarHBondContact O-N 3.21Å; H156-L158 PolarHBondContact O-N 2.89Å; L158-L160 PolarHBondContact O-N 2.94Å; L158-K161 WeakPolarHBondContact O-CB 3.47Å; L158-K161 PolarHBondContact O-N 3.49Å; L158-N162 WeakPolarHBondContact O-CB 3.45Å; L158-N162 PolarHBondContact O-N 3.46Å |
| 159 | A | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.7 | -47.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | W118 M119 F143 L146 E155 H156 K161 N162 I163 | W118-A159 HydrophobicContact CB-CB 3.72Å; M119-A159 HydrophobicContact SD-CB 3.99Å; F143-A159 HydrophobicContact CE2-CB 3.87Å; F143-A159 HydrophobicContact CZ-CB 4.28Å; L146-A159 HydrophobicContact CD2-CB 3.46Å; L146-A159 VanDerWaalsContact CD2-CB 3.46Å; E155-A159 WeakPolarHBondContact O-CB 3.46Å; E155-A159 PolarHBondContact O-N 3.23Å; H156-A159 PolarHBondContact O-N 3.14Å; A159-K161 PolarHBondContact O-N 3.44Å; A159-N162 PolarHBondContact O-N 2.98Å; A159-I163 VanDerWaalsContact O-CG1 3.27Å; A159-I163 WeakPolarHBondContact O-CG1 3.44Å; A159-I163 PolarHBondContact O-N 2.98Å |
| 160 | L | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.4 | -37.4 | 177.8 | -70.5 | 173.7 | 0 | 0 | 0 | 112.5 | F143 H156 L158 N162 I163 A164 I175 F253 L256 L257 A260 | F143-L160 HydrophobicContact CD1-CD2 4.48Å; F143-L160 HydrophobicContact CD2-CD2 3.97Å; F143-L160 HydrophobicContact CE1-CD1 4.21Å; F143-L160 HydrophobicContact CE1-CD2 4.1Å; F143-L160 HydrophobicContact CE1-CG 4.08Å; F143-L160 HydrophobicContact CE2-CD2 3.52Å; F143-L160 HydrophobicContact CE2-CG 3.74Å; F143-L160 HydrophobicContact CG-CD2 4.42Å; F143-L160 HydrophobicContact CZ-CD1 3.98Å; F143-L160 HydrophobicContact CZ-CD2 3.61Å; F143-L160 HydrophobicContact CZ-CG 3.42Å; F143-L160 VanDerWaalsContact CZ-CG 3.42Å; H156-L160 WeakPolarHBondContact O-CB 3.35Å; H156-L160 VanDerWaalsContact O-CG 3.31Å; H156-L160 WeakPolarHBondContact O-CG 3.07Å; H156-L160 PolarHBondContact O-N 2.87Å; L158-L160 PolarHBondContact O-N 2.94Å; L160-N162 VanDerWaalsContact C-N 3.34Å; L160-I163 PolarHBondContact O-N 2.83Å; L160-A164 WeakPolarHBondContact O-CB 3.46Å; L160-A164 PolarHBondContact O-N 2.88Å; L160-I175 HydrophobicContact CD2-CD1 3.79Å; L160-F253 HydrophobicContact CD1-CE2 4.37Å; L160-L256 HydrophobicContact CD1-CB 3.7Å; L160-L256 HydrophobicContact CD1-CD1 4.47Å; L160-L257 HydrophobicContact CD1-CD2 4.31Å; L160-L257 HydrophobicContact CD2-CD2 3.75Å; L160-A260 HydrophobicContact CB-CB 3.78Å |
| 161 | K | 97.9 | Very high | 96.5 | Very high | 133 Ų | 133 | 35.8 Ų | 35.8 | 58% | 0.578 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -61.7 | -43.7 | 174.8 | 179.4 | -176.4 | 175.1 | -172.3 | 0 | 111.1 | R157 L158 A159 A164 S165 | R157-K161 VanDerWaalsContact O-CB 3.23Å; R157-K161 WeakPolarHBondContact O-CB 3.29Å; R157-K161 PolarHBondContact O-N 2.79Å; L158-K161 WeakPolarHBondContact O-CB 3.47Å; L158-K161 PolarHBondContact O-N 3.49Å; A159-K161 PolarHBondContact O-N 3.44Å; K161-A164 PolarHBondContact O-N 3.28Å; K161-S165 WeakPolarHBondContact O-CB 3.37Å; K161-S165 PolarHBondContact O-N 3.49Å |
| 162 | N | 97.7 | Very high | 96.9 | Very high | 10 Ų | 10 | 34 Ų | 34 | 5% | 0.053 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.6 | -41.8 | 178.2 | -75.5 | -6.1 | 0 | 0 | 0 | 112.1 | W118 M119 L121 L158 A159 L160 A164 S165 M166 | W118-N162 VanDerWaalsContact O-CB 3.23Å; W118-N162 WeakPolarHBondContact O-CB 3.47Å; W118-N162 PolarHBondContact O-ND2 3.2Å; M119-N162 PolarHBondContact O-ND2 3.21Å; M119-N162 VanDerWaalsContact O-ND2 3.1Å; L121-N162 HydrophobicContact CB-CB 4.09Å; L158-N162 WeakPolarHBondContact O-CB 3.45Å; L158-N162 PolarHBondContact O-N 3.46Å; A159-N162 PolarHBondContact O-N 2.98Å; L160-N162 VanDerWaalsContact C-N 3.34Å; N162-A164 VanDerWaalsContact C-N 3.35Å; N162-A164 PolarHBondContact O-N 2.94Å; N162-S165 PolarHBondContact O-N 2.76Å; N162-S165 PolarHBondContact O-OG 3.05Å; N162-M166 PolarHBondContact O-N 3.12Å |
| 163 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 172.6 | -69.1 | 166.6 | 0 | 0 | 0 | 110.4 | V64 W118 L121 V136 F143 A159 L160 S165 M166 L173 | V64-I163 HydrophobicContact CG2-CD1 4.3Å; V64-I163 HydrophobicContact CG2-CG1 4.27Å; V64-I163 HydrophobicContact CG2-CG2 4.38Å; W118-I163 HydrophobicContact CB-CD1 4.26Å; W118-I163 HydrophobicContact CB-CG1 4.42Å; W118-I163 HydrophobicContact CD2-CD1 4.1Å; W118-I163 HydrophobicContact CG-CD1 3.83Å; W118-I163 HydrophobicContact CG-CG1 4.22Å; L121-I163 HydrophobicContact CD2-CG1 4.08Å; V136-I163 HydrophobicContact CG1-CG2 4.02Å; F143-I163 HydrophobicContact CD2-CD1 4.08Å; F143-I163 HydrophobicContact CE2-CD1 4.14Å; A159-I163 VanDerWaalsContact O-CG1 3.27Å; A159-I163 WeakPolarHBondContact O-CG1 3.44Å; A159-I163 PolarHBondContact O-N 2.98Å; L160-I163 PolarHBondContact O-N 2.83Å; I163-S165 VanDerWaalsContact C-N 3.3Å; I163-S165 PolarHBondContact O-N 2.83Å; I163-M166 WeakPolarHBondContact O-CB 3.28Å; I163-M166 PolarHBondContact O-N 3.46Å; I163-L173 HydrophobicContact CG2-CD1 3.65Å; I163-L173 HydrophobicContact CG2-CD2 4.31Å |
| 164 | A | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.6 | -35.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L160 K161 N162 M166 V167 A260 F261 R293 | L160-A164 WeakPolarHBondContact O-CB 3.46Å; L160-A164 PolarHBondContact O-N 2.88Å; K161-A164 PolarHBondContact O-N 3.28Å; N162-A164 VanDerWaalsContact C-N 3.35Å; N162-A164 PolarHBondContact O-N 2.94Å; A164-M166 PolarHBondContact O-N 2.89Å; A164-V167 WeakPolarHBondContact O-CB 3.4Å; A164-V167 PolarHBondContact O-N 3.36Å; A164-A260 HydrophobicContact CB-CB 4.17Å; A164-F261 HydrophobicContact CB-CD2 4.03Å; A164-F261 HydrophobicContact CB-CE1 4.25Å; A164-F261 HydrophobicContact CB-CE2 3.69Å; A164-F261 HydrophobicContact CB-CG 4.45Å; A164-F261 HydrophobicContact CB-CZ 3.81Å; A164-R293 VanDerWaalsContact C-NH2 3.32Å; A164-R293 VanDerWaalsContact O-CZ 3.28Å; A164-R293 PolarHBondContact O-NH2 3.18Å |
| 165 | S | 95.8 | Very high | 97.4 | Very high | 34 Ų | 34 | 27.3 Ų | 27.3 | 24% | 0.238 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.6 | -22.5 | 179.4 | 80.3 | 0 | 0 | 0 | 0 | 113 | Q127 K161 N162 I163 V167 | Q127-S165 PolarHBondContact NE2-O 3.49Å; K161-S165 WeakPolarHBondContact O-CB 3.37Å; K161-S165 PolarHBondContact O-N 3.49Å; N162-S165 PolarHBondContact O-N 2.76Å; N162-S165 PolarHBondContact O-OG 3.05Å; I163-S165 VanDerWaalsContact C-N 3.3Å; I163-S165 PolarHBondContact O-N 2.83Å; S165-V167 VanDerWaalsContact C-N 3.3Å |
| 166 | M | 97.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -13.7 | 174.3 | -62.1 | -60 | 133.1 | 0 | 0 | 113.8 | L62 L121 V125 Q127 G132 F133 V136 N162 I163 A164 | L62-M166 HydrophobicContact CD2-CB 3.67Å; L62-M166 HydrophobicContact CD2-CG 3.71Å; L62-M166 HydrophobicContact CD2-SD 4.45Å; L121-M166 HydrophobicContact CD2-CG 3.74Å; L121-M166 HydrophobicContact CG-CG 4.18Å; V125-M166 HydrophobicContact CB-SD 4.22Å; V125-M166 HydrophobicContact CG1-SD 4.1Å; Q127-M166 HydrophobicContact CG-CE 4.29Å; Q127-M166 HydrophobicContact CG-SD 4.45Å; G132-M166 CarbonylContact C-O 3.49Å; G132-M166 WeakPolarHBondContact CA-O 3.23Å; F133-M166 HydrophobicContact CD2-CB 4.33Å; F133-M166 PolarHBondContact N-O 3.03Å; V136-M166 HydrophobicContact CG2-CB 3.88Å; N162-M166 PolarHBondContact O-N 3.12Å; I163-M166 WeakPolarHBondContact O-CB 3.28Å; I163-M166 PolarHBondContact O-N 3.46Å; A164-M166 PolarHBondContact O-N 2.89Å |
| 167 | V | 97.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 122.8 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | V136 A164 S165 L173 F261 R293 | V136-V167 HydrophobicContact CB-CG2 3.98Å; V136-V167 HydrophobicContact CG2-CB 4.4Å; V136-V167 HydrophobicContact CG2-CG2 3.57Å; A164-V167 WeakPolarHBondContact O-CB 3.4Å; A164-V167 PolarHBondContact O-N 3.36Å; S165-V167 VanDerWaalsContact C-N 3.3Å; V167-L173 HydrophobicContact CG2-CB 3.97Å; V167-F261 HydrophobicContact CB-CE1 4.33Å; V167-F261 HydrophobicContact CG1-CE1 4.48Å; V167-F261 HydrophobicContact CG2-CE1 4.38Å; V167-F261 HydrophobicContact CG2-CZ 4.13Å; V167-R293 HydrophobicContact CG1-CB 4.24Å; V167-R293 PolarHBondContact O-NH1 3.49Å |
| 168 | R | 95.7 | Very high | 97.4 | Very high | 81 Ų | 81 | 20.4 Ų | 20.4 | 31% | 0.306 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 168 | 175.4 | 73.9 | 167.5 | 174.3 | 88.3 | -6.4 | 112.4 | F133 D134 G170 G171 | F133-R168 WeakPolarHBondContact O-CG 3.39Å; F133-R168 PolarHBondContact O-N 3.32Å; D134-R168 IonicContact OD1-CZ 2.68Å; D134-R168 IonicContact OD1-NE 3.14Å; D134-R168 PolarHBondContact OD1-NE 2.81Å; D134-R168 IonicContact OD1-NH2 2.74Å; D134-R168 PolarHBondContact OD1-NH2 3.13Å; R168-G170 PolarHBondContact O-N 2.59Å; R168-G171 WeakPolarHBondContact O-CA 3.26Å; R168-G171 PolarHBondContact O-N 2.84Å |
| 169 | A | 94.5 | Very high | 97.3 | Very high | 50 Ų | 50 | 17.3 Ų | 17.3 | 41% | 0.413 | 10% | 0.096 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 127.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G171 D295 | A169-G171 PolarHBondContact O-N 2.83Å; A169-D295 WeakPolarHBondContact CA-O 3.49Å; A169-D295 WeakPolarHBondContact CB-O 3.48Å; A169-D295 WeakPolarHBondContact CB-OXT 2.92Å |
| 170 | G | 95.5 | Very high | 97.3 | Very high | 30 Ų | 30 | 17.3 Ų | 17.3 | 31% | 0.309 | 10% | 0.096 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 74.6 | -3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R168 K292 R293 | R168-G170 PolarHBondContact O-N 2.59Å; G170-K292 WeakPolarHBondContact O-CE 3.39Å; G170-R293 WeakPolarHBondContact CA-O 3.48Å; G170-R293 PolarHBondContact N-O 3.38Å |
| 171 | G | 97.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 175.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | D134 R168 A169 K292 R293 | D134-G171 CarbonylContact O-C 3.5Å; D134-G171 WeakPolarHBondContact O-CA 3.35Å; R168-G171 WeakPolarHBondContact O-CA 3.26Å; R168-G171 PolarHBondContact O-N 2.84Å; A169-G171 PolarHBondContact O-N 2.83Å; G171-K292 WeakPolarHBondContact O-CA 3.46Å; G171-R293 PolarHBondContact O-N 3Å |
| 172 | L | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 145.6 | -175.5 | -62.4 | 177.7 | 0 | 0 | 0 | 113 | L52 H56 D134 A135 V136 V290 L291 K292 | L52-L172 HydrophobicContact CD1-CD1 4.24Å; L52-L172 HydrophobicContact CD2-CD1 4.43Å; L52-L172 HydrophobicContact CG-CD1 4.01Å; H56-L172 HydrophobicContact CB-CD1 3.87Å; H56-L172 HydrophobicContact CB-CG 4.45Å; D134-L172 PolarHBondContact O-N 3.19Å; A135-L172 CarbonylContact C-O 3.6Å; A135-L172 VanDerWaalsContact CA-O 3.25Å; A135-L172 WeakPolarHBondContact CA-O 3.45Å; A135-L172 HydrophobicContact CB-CB 4.19Å; V136-L172 PolarHBondContact N-O 3.44Å; L172-V290 HydrophobicContact CD2-CG1 4.44Å; L172-L291 CarbonylContact C-O 3.5Å; L172-L291 VanDerWaalsContact CA-O 3.3Å; L172-L291 WeakPolarHBondContact CA-O 3.4Å; L172-K292 HydrophobicContact CD2-CB 3.76Å; L172-K292 HydrophobicContact CD2-CD 4.4Å; L172-K292 HydrophobicContact CD2-CG 3.99Å |
| 173 | L | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.2 | 156.1 | 172.9 | 64.4 | 0 | 0 | 0 | 108.3 | V136 I163 V167 I175 L257 F261 V290 L291 | V136-L173 HydrophobicContact CB-CD1 3.98Å; V136-L173 HydrophobicContact CG1-CD1 4.01Å; V136-L173 CarbonylContact O-C 3.31Å; V136-L173 WeakPolarHBondContact O-CA 3.46Å; I163-L173 HydrophobicContact CG2-CD1 3.65Å; I163-L173 HydrophobicContact CG2-CD2 4.31Å; V167-L173 HydrophobicContact CG2-CB 3.97Å; L173-I175 HydrophobicContact CD1-CB 4.28Å; L173-I175 HydrophobicContact CD1-CG2 4.5Å; L173-I175 HydrophobicContact CD2-CG2 3.96Å; L173-I175 HydrophobicContact CG-CB 4.26Å; L173-I175 HydrophobicContact CG-CG2 3.96Å; L173-L257 HydrophobicContact CD2-CD2 4.24Å; L173-F261 HydrophobicContact CB-CE2 4.38Å; L173-F261 HydrophobicContact CB-CZ 3.87Å; L173-F261 HydrophobicContact CD2-CE2 3.71Å; L173-F261 HydrophobicContact CD2-CZ 3.94Å; L173-V290 WeakPolarHBondContact O-CA 3.45Å; L173-L291 HydrophobicContact CB-CB 4.29Å; L173-L291 HydrophobicContact CD2-CD1 4.34Å; L173-L291 PolarHBondContact N-O 3.47Å; L173-L291 PolarHBondContact O-N 3.37Å |
| 174 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 110.2 | 170 | -170.7 | 0 | 0 | 0 | 0 | 108.3 | W48 L52 V136 I137 C138 L139 I288 H289 V290 | W48-V174 HydrophobicContact CH2-CG1 3.67Å; W48-V174 HydrophobicContact CZ3-CG1 4.21Å; L52-V174 HydrophobicContact CD2-CG2 3.86Å; V136-V174 PolarHBondContact O-N 3.22Å; I137-V174 CarbonylContact C-O 3.58Å; I137-V174 VanDerWaalsContact CA-O 3.31Å; I137-V174 WeakPolarHBondContact CA-O 3.47Å; I137-V174 HydrophobicContact CG2-CB 4.21Å; C138-V174 PolarHBondContact N-O 2.79Å; L139-V174 HydrophobicContact CD2-CG1 3.81Å; V174-I288 HydrophobicContact CG1-CG2 3.77Å; V174-H289 WeakPolarHBondContact CA-O 3.45Å; V174-V290 HydrophobicContact CG1-CG2 4.47Å |
| 175 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 140.5 | -176.7 | -177.6 | 164.6 | 0 | 0 | 0 | 110.1 | C138 F143 L160 L173 F253 L257 H289 L291 | C138-I175 HydrophobicContact CB-CB 4.2Å; C138-I175 HydrophobicContact CB-CD1 4.04Å; C138-I175 HydrophobicContact CB-CG1 3.86Å; C138-I175 VanDerWaalsContact O-CA 3.31Å; C138-I175 WeakPolarHBondContact O-CA 3.18Å; F143-I175 HydrophobicContact CB-CD1 3.99Å; F143-I175 HydrophobicContact CB-CG1 4.46Å; F143-I175 HydrophobicContact CD2-CD1 4.13Å; F143-I175 HydrophobicContact CG-CD1 4.04Å; L160-I175 HydrophobicContact CD2-CD1 3.79Å; L173-I175 HydrophobicContact CD1-CB 4.28Å; L173-I175 HydrophobicContact CD1-CG2 4.5Å; L173-I175 HydrophobicContact CD2-CG2 3.96Å; L173-I175 HydrophobicContact CG-CB 4.26Å; L173-I175 HydrophobicContact CG-CG2 3.96Å; I175-F253 HydrophobicContact CD1-CZ 3.97Å; I175-F253 HydrophobicContact CG1-CE1 4.37Å; I175-F253 HydrophobicContact CG1-CZ 4.15Å; I175-F253 HydrophobicContact CG2-CE1 4.49Å; I175-L257 HydrophobicContact CD1-CD2 4.4Å; I175-L257 HydrophobicContact CG2-CD1 3.96Å; I175-L257 HydrophobicContact CG2-CD2 3.61Å; I175-L257 HydrophobicContact CG2-CG 4.45Å; I175-H289 HydrophobicContact CG2-CB 4.06Å; I175-H289 PolarHBondContact N-O 2.84Å; I175-H289 WeakPolarHBondContact O-CA 3.47Å; I175-H289 WeakPolarHBondContact O-CB 3.39Å; I175-H289 PolarHBondContact O-N 3.09Å; I175-L291 HydrophobicContact CG2-CD1 4.28Å |
| 176 | D | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 166.7 | -178.5 | 74.7 | 1.6 | 0 | 0 | 0 | 113.8 | C138 L139 G140 N141 Y196 F287 I288 | C138-D176 PolarHBondContact O-N 3.04Å; C138-D176 VanDerWaalsContact O-N 3.12Å; L139-D176 WeakPolarHBondContact CA-OD1 3.16Å; L139-D176 HydrophobicContact CD2-CB 4.29Å; G140-D176 PolarHBondContact N-OD1 3.04Å; G140-D176 PolarHBondContact N-OD2 3Å; N141-D176 WeakPolarHBondContact CA-OD1 3.31Å; N141-D176 PolarHBondContact N-OD1 3.07Å; D176-Y196 WeakPolarHBondContact OD2-CE2 3.45Å; D176-Y196 PolarHBondContact OD2-OH 2.91Å; D176-F287 WeakPolarHBondContact CA-O 3.42Å; D176-F287 VanDerWaalsContact CB-O 3.23Å; D176-F287 WeakPolarHBondContact CB-O 3.5Å; D176-I288 HydrophobicContact CB-CB 4.42Å; D176-I288 HydrophobicContact CB-CG1 4.07Å |
| 177 | H | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 158.3 | 166.4 | 66.6 | 97 | 0 | 0 | 0 | 109.7 | H248 F253 Y286 F287 H289 | H177-H248 PolarHBondContact CE1-O 3.2Å; H177-H248 VanDerWaalsContact CE1-O 3.23Å; H177-H248 PolarHBondContact ND1-O 2.81Å; H177-H248 VanDerWaalsContact ND1-O 3.14Å; H177-F253 AromaticContact CD2-CD1 3.16Å; H177-F253 WeakPolarHBondContact CD2-CD1 3.39Å; H177-F253 AromaticContact CD2-CE1 3.6Å; H177-F253 AromaticContact CD2-CG 3.8Å; H177-F253 AromaticContact NE2-CD1 3.6Å; H177-Y286 WeakPolarHBondContact O-CA 3.18Å; H177-F287 AromaticContact CE1-CD2 3.7Å; H177-F287 PolarHBondContact N-O 2.75Å; H177-F287 PolarHBondContact O-N 2.94Å; H177-H289 AromaticContact CD2-CD2 3.88Å; H177-H289 AromaticContact CD2-NE2 3.46Å; H177-H289 PolarHBondContact CD2-NE2 2.62Å; H177-H289 AromaticContact NE2-NE2 3.17Å; H177-H289 PolarHBondContact NE2-NE2 3.38Å; H177-H289 VanDerWaalsContact NE2-NE2 3.17Å |
| 178 | R | 95.2 | Very high | 95.9 | Very high | 12 Ų | 12 | 29 Ų | 29 | 5% | 0.045 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 155.3 | 173.1 | -153.6 | 169.4 | -171.1 | -164.3 | 5.9 | 109.8 | N141 Y180 I183 C285 Y286 | N141-R178 HydrophobicContact CB-CB 4.35Å; N141-R178 WeakPolarHBondContact OD1-CB 3.48Å; N141-R178 PolarHBondContact OD1-N 2.85Å; R178-Y180 HydrophobicContact CB-CD2 4.4Å; R178-Y180 HydrophobicContact CB-CE1 4.48Å; R178-Y180 HydrophobicContact CB-CE2 3.96Å; R178-Y180 WeakPolarHBondContact O-CD2 3.37Å; R178-Y180 PolarHBondContact O-N 3.04Å; R178-I183 HydrophobicContact CG-CD1 3.99Å; R178-C285 VanDerWaalsContact CG-O 3.32Å; R178-C285 WeakPolarHBondContact CG-O 3.42Å; R178-Y286 HydrophobicContact CB-CE1 4.43Å; R178-Y286 HydrophobicContact CG-CE1 4.43Å |
| 179 | N | 96.1 | Very high | 95 | Very high | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.043 | 18% | 0.175 | C | C | . | . | trans | -70.9 | 79.1 | 174.6 | -173.6 | -11.6 | 0 | 0 | 0 | 111 | D181 H182 I183 V283 P284 C285 F287 | N179-D181 VanDerWaalsContact C-N 3.28Å; N179-D181 PolarHBondContact O-N 3Å; N179-D181 PolarHBondContact OD1-N 2.98Å; N179-H182 HydrophobicContact CB-CB 4.42Å; N179-H182 PolarHBondContact O-N 3.47Å; N179-H182 PolarHBondContact OD1-N 2.79Å; N179-I183 WeakPolarHBondContact O-CG1 3.31Å; N179-I183 PolarHBondContact O-N 3.32Å; N179-V283 WeakPolarHBondContact ND2-CG1 3.43Å; N179-P284 WeakPolarHBondContact CB-O 3.44Å; N179-P284 PolarHBondContact ND2-O 3.43Å; N179-C285 PolarHBondContact N-O 3.16Å; N179-F287 HydrophobicContact CB-CD2 4.28Å; N179-F287 HydrophobicContact CB-CE2 3.92Å; N179-F287 VanDerWaalsContact CG-CE2 3.49Å; N179-F287 WeakPolarHBondContact OD1-CE2 3.31Å | ||
| 180 | Y | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.1 | -23.4 | 178.5 | -67.9 | -73.4 | 0 | 0 | 0 | 112.5 | N141 A144 R178 H182 I183 L184 V219 Y245 P247 H248 | N141-Y180 PolarHBondContact ND2-OH 2.79Å; N141-Y180 WeakPolarHBondContact OD1-CE2 2.94Å; N141-Y180 PolarHBondContact OD1-OH 3.17Å; A144-Y180 HydrophobicContact CB-CE2 3.92Å; A144-Y180 WeakPolarHBondContact CB-OH 3.4Å; R178-Y180 HydrophobicContact CB-CD2 4.4Å; R178-Y180 HydrophobicContact CB-CE1 4.48Å; R178-Y180 HydrophobicContact CB-CE2 3.96Å; R178-Y180 WeakPolarHBondContact O-CD2 3.37Å; R178-Y180 PolarHBondContact O-N 3.04Å; Y180-H182 VanDerWaalsContact C-N 3.26Å; Y180-H182 PolarHBondContact O-N 3.17Å; Y180-I183 HydrophobicContact CD1-CB 4.41Å; Y180-I183 HydrophobicContact CD1-CD1 3.84Å; Y180-I183 HydrophobicContact CE1-CD1 4.08Å; Y180-I183 PolarHBondContact O-N 3.36Å; Y180-L184 VanDerWaalsContact O-CB 3.28Å; Y180-L184 WeakPolarHBondContact O-CB 3.4Å; Y180-L184 WeakPolarHBondContact O-CG 3.39Å; Y180-L184 PolarHBondContact O-N 3.18Å; Y180-V219 HydrophobicContact CD1-CB 4.48Å; Y180-V219 HydrophobicContact CD1-CG2 4.19Å; Y180-V219 HydrophobicContact CE1-CB 4.17Å; Y180-V219 HydrophobicContact CE1-CG1 4.37Å; Y180-V219 HydrophobicContact CE1-CG2 4.38Å; Y180-Y245 WeakPolarHBondContact OH-CB 3.2Å; Y180-P247 HydrophobicContact CD1-CB 3.72Å; Y180-P247 HydrophobicContact CE1-CB 4.41Å; Y180-P247 VanDerWaalsContact CG-CA 3.42Å; Y180-P247 HydrophobicContact CG-CB 3.86Å; Y180-H248 HydrophobicContact CD2-CB 4.4Å; Y180-H248 WeakPolarHBondContact CD2-O 3.4Å |
| 181 | D | 96.5 | Very high | 91.8 | Very high | 64 Ų | 64 | 28.9 Ų | 28.9 | 34% | 0.342 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -56.5 | -43 | 170.5 | -57.6 | -91.3 | 0 | 0 | 0 | 111 | N179 S185 C249 L250 | N179-D181 VanDerWaalsContact C-N 3.28Å; N179-D181 PolarHBondContact O-N 3Å; N179-D181 PolarHBondContact OD1-N 2.98Å; D181-S185 WeakPolarHBondContact O-CB 3.27Å; D181-S185 PolarHBondContact O-N 3.35Å; D181-S185 PolarHBondContact O-OG 2.77Å; D181-C249 WeakPolarHBondContact OD1-CB 3.49Å; D181-L250 WeakPolarHBondContact OD2-CB 3.43Å; D181-L250 PolarHBondContact OD2-N 3.19Å |
| 182 | H | 94.6 | Very high | 89.8 | Confident | 40 Ų | 40 | 30.9 Ų | 30.9 | 19% | 0.185 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.4 | -43.4 | 173.2 | -174.1 | 83.6 | 0 | 0 | 0 | 112.8 | N179 Y180 L184 S185 T186 P190 V283 | N179-H182 HydrophobicContact CB-CB 4.42Å; N179-H182 PolarHBondContact O-N 3.47Å; N179-H182 PolarHBondContact OD1-N 2.79Å; Y180-H182 VanDerWaalsContact C-N 3.26Å; Y180-H182 PolarHBondContact O-N 3.17Å; H182-L184 PolarHBondContact O-N 3.1Å; H182-S185 WeakPolarHBondContact CA-OG 3.48Å; H182-S185 PolarHBondContact O-N 2.93Å; H182-S185 PolarHBondContact O-OG 3.44Å; H182-T186 WeakPolarHBondContact O-CB 3.47Å; H182-T186 WeakPolarHBondContact O-CG2 3.11Å; H182-T186 PolarHBondContact O-N 2.97Å; H182-T186 PolarHBondContact O-OG1 3.06Å; H182-P190 HydrophobicContact CB-CG 4.45Å; H182-V283 HydrophobicContact CB-CG1 4.25Å |
| 183 | I | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | -178.3 | -65.5 | 171.6 | 0 | 0 | 0 | 111.3 | R178 N179 Y180 S185 G187 C188 P190 T207 V219 | R178-I183 HydrophobicContact CG-CD1 3.99Å; N179-I183 WeakPolarHBondContact O-CG1 3.31Å; N179-I183 PolarHBondContact O-N 3.32Å; Y180-I183 HydrophobicContact CD1-CB 4.41Å; Y180-I183 HydrophobicContact CD1-CD1 3.84Å; Y180-I183 HydrophobicContact CE1-CD1 4.08Å; Y180-I183 PolarHBondContact O-N 3.36Å; I183-S185 VanDerWaalsContact C-N 3.35Å; I183-G187 VanDerWaalsContact O-CA 3.22Å; I183-G187 WeakPolarHBondContact O-CA 3.35Å; I183-G187 PolarHBondContact O-N 3.45Å; I183-C188 WeakPolarHBondContact CA-O 3.08Å; I183-P190 HydrophobicContact CG1-CG 4.47Å; I183-T207 HydrophobicContact CG2-CG2 3.9Å; I183-V219 HydrophobicContact CG2-CG1 4.09Å; I183-V219 HydrophobicContact CG2-CG2 4.18Å |
| 184 | L | 96.1 | Very high | 87 | Confident | 54 Ų | 54 | 40.5 Ų | 40.5 | 28% | 0.283 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.9 | -32.9 | -180 | -67.1 | 178.5 | 0 | 0 | 0 | 112.2 | Y180 H182 V209 A216 V219 P247 | Y180-L184 VanDerWaalsContact O-CB 3.28Å; Y180-L184 WeakPolarHBondContact O-CB 3.4Å; Y180-L184 WeakPolarHBondContact O-CG 3.39Å; Y180-L184 PolarHBondContact O-N 3.18Å; H182-L184 PolarHBondContact O-N 3.1Å; L184-V209 HydrophobicContact CD2-CG1 3.7Å; L184-A216 HydrophobicContact CD1-CB 3.72Å; L184-A216 HydrophobicContact CD2-CB 3.58Å; L184-A216 HydrophobicContact CG-CB 4.31Å; L184-V219 HydrophobicContact CD2-CG2 4.17Å; L184-P247 HydrophobicContact CD1-CB 4.06Å; L184-P247 HydrophobicContact CD1-CG 4.49Å; L184-P247 HydrophobicContact CD2-CB 3.98Å; L184-P247 HydrophobicContact CD2-CG 4.28Å; L184-P247 HydrophobicContact CG-CB 4.19Å |
| 185 | S | 95.3 | Very high | 86.1 | Confident | 94 Ų | 94 | 41 Ų | 41 | 66% | 0.657 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -77.5 | -31.1 | 178.3 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | D181 H182 I183 | D181-S185 WeakPolarHBondContact O-CB 3.27Å; D181-S185 PolarHBondContact O-N 3.35Å; D181-S185 PolarHBondContact O-OG 2.77Å; H182-S185 WeakPolarHBondContact CA-OG 3.48Å; H182-S185 PolarHBondContact O-N 2.93Å; H182-S185 PolarHBondContact O-OG 3.44Å; I183-S185 VanDerWaalsContact C-N 3.35Å |
| 186 | T | 93.9 | Very high | 84.9 | Confident | 68 Ų | 68 | 41 Ų | 41 | 42% | 0.417 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -103 | -19.4 | -177 | 61.9 | 0 | 0 | 0 | 0 | 114 | H182 C188 | H182-T186 WeakPolarHBondContact O-CB 3.47Å; H182-T186 WeakPolarHBondContact O-CG2 3.11Å; H182-T186 PolarHBondContact O-N 2.97Å; H182-T186 PolarHBondContact O-OG1 3.06Å; T186-C188 PolarHBondContact O-N 3.43Å; T186-C188 PolarHBondContact OG1-N 2.96Å; T186-C188 PolarHBondContact OG1-O 3.17Å; T186-C188 VanDerWaalsContact OG1-O 3.06Å |
| 187 | G | 91.7 | Very high | 83.7 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 32% | 0.32 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 73 | 3.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I183 T207 | I183-G187 VanDerWaalsContact O-CA 3.22Å; I183-G187 WeakPolarHBondContact O-CA 3.35Å; I183-G187 PolarHBondContact O-N 3.45Å; G187-T207 WeakPolarHBondContact O-CB 3.48Å; G187-T207 WeakPolarHBondContact O-CG2 3.25Å |
| 188 | C | 87.7 | Confident | 82.3 | Confident | 73 Ų | 73 | 45.6 Ų | 45.6 | 49% | 0.493 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -128 | 142.2 | -175.6 | -63 | 0 | 0 | 0 | 0 | 111.5 | I183 T186 | I183-C188 WeakPolarHBondContact CA-O 3.08Å; T186-C188 PolarHBondContact O-N 3.43Å; T186-C188 PolarHBondContact OG1-N 2.96Å; T186-C188 PolarHBondContact OG1-O 3.17Å; T186-C188 VanDerWaalsContact OG1-O 3.06Å |
| 189 | A | 76.6 | Confident | 80.9 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | trans | -49.1 | 136.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111 | T207 | A189-T207 PolarHBondContact N-OG1 2.93Š| ||
| 190 | P | 68.6 | Low | 79.5 | Confident | 12 Ų | 12 | 53 Ų | 53 | 8% | 0.078 | 31% | 0.312 | C | S | . | . | trans | -54.1 | 135.7 | -176.6 | -23.3 | 29.7 | 0 | 0 | 0 | 112 | H182 I183 G192 | H182-P190 HydrophobicContact CB-CG 4.45Å; I183-P190 HydrophobicContact CG1-CG 4.47Å; P190-G192 PolarHBondContact O-N 3.05Å | ||
| 191 | P | 54.9 | Low | 78.2 | Confident | 130 Ų | 130 | 55.1 Ų | 55.1 | 84% | 0.844 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -75 | 78 | 174.7 | 31.2 | -33.6 | 0 | 0 | 0 | 109.1 | ||
| 192 | G | 55 | Low | 76.9 | Confident | 43 Ų | 43 | 53.8 Ų | 53.8 | 44% | 0.443 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -150.9 | 148.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P190 N194 | P190-G192 PolarHBondContact O-N 3.05Å; G192-N194 PolarHBondContact O-N 2.77Å; G192-N194 VanDerWaalsContact O-N 3.08Å |
| 193 | K | 65.7 | Low | 75.8 | Confident | 187 Ų | 187 | 57.4 Ų | 57.4 | 81% | 0.813 | 33% | 0.332 | S | S | * | . | trans | -59.5 | 119.7 | 171.3 | -74.4 | -170 | 178.1 | -172.4 | 0 | 107.5 | I195 | K193-I195 PolarHBondContact O-N 3.44Š| ||
| 194 | N | 72.8 | Confident | 75 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | trans | -63.8 | 121.6 | 177.9 | -174.7 | -33.5 | 0 | 0 | 0 | 108.7 | G192 Y196 Y197 K198 Y286 | G192-N194 PolarHBondContact O-N 2.77Å; G192-N194 VanDerWaalsContact O-N 3.08Å; N194-Y196 PolarHBondContact O-N 3.42Å; N194-Y196 WeakPolarHBondContact OD1-CB 3.37Å; N194-Y196 PolarHBondContact OD1-N 2.91Å; N194-Y197 WeakPolarHBondContact CB-O 3.34Å; N194-Y197 VanDerWaalsContact ND2-CD2 3.35Å; N194-Y197 WeakPolarHBondContact ND2-CD2 2.7Å; N194-Y197 PolarHBondContact O-N 3.11Å; N194-Y197 WeakPolarHBondContact OD1-CD2 3.45Å; N194-Y197 PolarHBondContact OD1-N 3.1Å; N194-K198 VanDerWaalsContact O-CG 3.31Å; N194-K198 WeakPolarHBondContact O-CG 3.34Å; N194-Y286 PolarHBondContact ND2-OH 3.41Å; N194-Y286 VanDerWaalsContact OD1-CE2 3.29Å; N194-Y286 WeakPolarHBondContact OD1-CE2 3.09Å; N194-Y286 PolarHBondContact OD1-OH 3.04Å | ||
| 195 | I | 79.7 | Confident | 74.4 | Confident | 11 Ų | 11 | 61.1 Ų | 61.1 | 6% | 0.056 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -63.6 | -24.2 | -176.7 | 67.4 | -171.4 | 0 | 0 | 0 | 112.8 | E44 K193 D272 F273 Y286 | E44-I195 WeakPolarHBondContact OE2-CA 3.39Å; E44-I195 WeakPolarHBondContact OE2-CB 3.34Å; K193-I195 PolarHBondContact O-N 3.44Å; I195-D272 HydrophobicContact CD1-CB 4.17Å; I195-D272 HydrophobicContact CG2-CB 4.08Å; I195-F273 HydrophobicContact CB-CE2 4.49Å; I195-F273 HydrophobicContact CD1-CD2 3.9Å; I195-F273 HydrophobicContact CD1-CE2 3.43Å; I195-F273 VanDerWaalsContact CD1-CE2 3.43Å; I195-F273 HydrophobicContact CD1-CZ 4.26Å; I195-F273 HydrophobicContact CG1-CE2 4.05Å; I195-Y286 HydrophobicContact CD1-CD2 3.67Å; I195-Y286 HydrophobicContact CD1-CG 4.02Å; I195-Y286 HydrophobicContact CG1-CD2 3.7Å; I195-Y286 HydrophobicContact CG1-CE2 4.11Å; I195-Y286 HydrophobicContact CG1-CG 4.41Å |
| 196 | Y | 75.5 | Confident | 74.1 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -99.3 | -24.1 | -179.1 | -71.4 | -57.6 | 0 | 0 | 0 | 113.7 | R41 Y45 L139 D176 N194 F273 Y286 | R41-Y196 WeakPolarHBondContact CD-O 3.25Å; R41-Y196 VanDerWaalsContact CG-O 3.24Å; R41-Y196 WeakPolarHBondContact CG-O 3.43Å; R41-Y196 PolarHBondContact NH1-O 3.46Å; Y45-Y196 HydrophobicContact CD1-CD1 4.44Å; Y45-Y196 HydrophobicContact CD1-CE1 4.19Å; Y45-Y196 AromaticContact CE1-CD1 3.93Å; Y45-Y196 HydrophobicContact CE1-CD1 3.93Å; Y45-Y196 AromaticContact CE1-CE1 3.93Å; Y45-Y196 HydrophobicContact CE1-CE1 3.93Å; L139-Y196 HydrophobicContact CB-CE1 4.48Å; D176-Y196 WeakPolarHBondContact OD2-CE2 3.45Å; D176-Y196 PolarHBondContact OD2-OH 2.91Å; N194-Y196 PolarHBondContact O-N 3.42Å; N194-Y196 WeakPolarHBondContact OD1-CB 3.37Å; N194-Y196 PolarHBondContact OD1-N 2.91Å; Y196-F273 HydrophobicContact CE1-CE2 4.29Å; Y196-F273 AromaticContact CE1-CZ 3.78Å; Y196-F273 HydrophobicContact CE1-CZ 3.78Å; Y196-F273 AromaticContact CZ-CZ 3.63Å; Y196-F273 VanDerWaalsContact OH-CZ 3.24Å; Y196-F273 WeakPolarHBondContact OH-CZ 3.36Å; Y196-Y286 AromaticContact CD2-CD1 3.84Å; Y196-Y286 HydrophobicContact CD2-CD1 3.84Å; Y196-Y286 HydrophobicContact CD2-CD2 4Å; Y196-Y286 AromaticContact CD2-CE1 3.59Å; Y196-Y286 HydrophobicContact CD2-CE1 3.59Å; Y196-Y286 AromaticContact CD2-CE2 3.82Å; Y196-Y286 HydrophobicContact CD2-CE2 3.82Å; Y196-Y286 HydrophobicContact CD2-CG 4.04Å; Y196-Y286 AromaticContact CD2-CZ 3.61Å; Y196-Y286 AromaticContact CE2-CD1 3.64Å; Y196-Y286 HydrophobicContact CE2-CD1 3.64Å; Y196-Y286 HydrophobicContact CE2-CD2 4.19Å; Y196-Y286 AromaticContact CE2-CE1 3.86Å; Y196-Y286 HydrophobicContact CE2-CE1 3.86Å; Y196-Y286 HydrophobicContact CE2-CE2 4.43Å; Y196-Y286 AromaticContact CE2-CG 3.82Å; Y196-Y286 HydrophobicContact CE2-CG 3.82Å |
| 197 | Y | 71.8 | Confident | 74.1 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 12% | 0.122 | 33% | 0.327 | C | S | . | . | trans | -134.5 | 89.2 | -170.1 | -56.6 | -87.7 | 0 | 0 | 0 | 110.1 | Y34 I35 R41 N194 | Y34-Y197 AromaticContact CD1-CD1 3.4Å; Y34-Y197 HydrophobicContact CD1-CD1 3.4Å; Y34-Y197 AromaticContact CD1-CE1 3.74Å; Y34-Y197 HydrophobicContact CD1-CE1 3.74Å; Y34-Y197 HydrophobicContact CD1-CG 4.21Å; Y34-Y197 AromaticContact CE1-CD1 3.07Å; Y34-Y197 HydrophobicContact CE1-CD1 3.07Å; Y34-Y197 HydrophobicContact CE1-CD2 4.15Å; Y34-Y197 AromaticContact CE1-CE1 3.43Å; Y34-Y197 HydrophobicContact CE1-CE1 3.43Å; Y34-Y197 VanDerWaalsContact CE1-CE1 3.43Å; Y34-Y197 HydrophobicContact CE1-CE2 4.41Å; Y34-Y197 AromaticContact CE1-CG 3.51Å; Y34-Y197 HydrophobicContact CE1-CG 3.51Å; Y34-Y197 HydrophobicContact CG-CD1 4.33Å; Y34-Y197 AromaticContact CZ-CD1 3.78Å; Y34-Y197 AromaticContact CZ-CG 3.73Å; I35-Y197 HydrophobicContact CB-CD1 4.4Å; I35-Y197 HydrophobicContact CD1-CD1 4.38Å; I35-Y197 HydrophobicContact CD1-CE1 3.99Å; I35-Y197 HydrophobicContact CG1-CD1 3.5Å; I35-Y197 VanDerWaalsContact CG1-CD1 3.5Å; I35-Y197 HydrophobicContact CG1-CE1 3.5Å; R41-Y197 VanDerWaalsContact NH1-CZ 3.31Å; N194-Y197 WeakPolarHBondContact CB-O 3.34Å; N194-Y197 VanDerWaalsContact ND2-CD2 3.35Å; N194-Y197 WeakPolarHBondContact ND2-CD2 2.7Å; N194-Y197 PolarHBondContact O-N 3.11Å; N194-Y197 WeakPolarHBondContact OD1-CD2 3.45Å; N194-Y197 PolarHBondContact OD1-N 3.1Å | ||
| 198 | K | 68.3 | Low | 74.2 | Confident | 65 Ų | 65 | 58 Ų | 58 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | trans | -106.1 | 33.3 | -174.4 | -66.1 | -177.5 | 175 | 179.3 | 0 | 113.3 | E44 N194 D200 | E44-K198 WeakPolarHBondContact OE1-CE 3.39Å; E44-K198 IonicContact OE1-NZ 3.54Å; E44-K198 PolarHBondContact OE1-NZ 2.84Å; E44-K198 WeakPolarHBondContact OE2-CE 3.34Å; E44-K198 IonicContact OE2-NZ 3.09Å; N194-K198 VanDerWaalsContact O-CG 3.31Å; N194-K198 WeakPolarHBondContact O-CG 3.34Å; K198-D200 PolarHBondContact O-N 3.49Å | ||
| 199 | S | 66 | Low | 74.6 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 11% | 0.105 | 32% | 0.316 | C | S | . | . | trans | -74.3 | 122 | 178.9 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | L33 Y34 L201 T202 | L33-S199 WeakPolarHBondContact O-CB 3.3Å; L33-S199 PolarHBondContact O-OG 2.95Å; Y34-S199 WeakPolarHBondContact O-CB 3.18Å; S199-L201 PolarHBondContact O-N 3.33Å; S199-L201 VanDerWaalsContact O-N 3.1Å; S199-L201 VanDerWaalsContact OG-CB 3.25Å; S199-L201 WeakPolarHBondContact OG-CB 3.31Å; S199-L201 PolarHBondContact OG-N 2.9Å; S199-L201 VanDerWaalsContact OG-N 3.13Å; S199-T202 PolarHBondContact O-N 2.94Å | ||
| 200 | D | 67.3 | Low | 75.5 | Confident | 162 Ų | 162 | 59.7 Ų | 59.7 | 87% | 0.866 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -9.1 | 167.6 | -61.1 | -41.1 | 0 | 0 | 0 | 112.1 | K198 | K198-D200 PolarHBondContact O-N 3.49Š|
| 201 | L | 69.5 | Low | 76.8 | Confident | 43 Ų | 43 | 64 Ų | 64 | 23% | 0.225 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -14.4 | 178.7 | -53.7 | 174.9 | 0 | 0 | 0 | 113 | L33 S199 K203 V225 Q226 P228 | L33-L201 HydrophobicContact CB-CD1 4.09Å; L33-L201 HydrophobicContact CD2-CD1 3.87Å; S199-L201 PolarHBondContact O-N 3.33Å; S199-L201 VanDerWaalsContact O-N 3.1Å; S199-L201 VanDerWaalsContact OG-CB 3.25Å; S199-L201 WeakPolarHBondContact OG-CB 3.31Å; S199-L201 PolarHBondContact OG-N 2.9Å; S199-L201 VanDerWaalsContact OG-N 3.13Å; L201-K203 PolarHBondContact O-N 3.25Å; L201-V225 HydrophobicContact CB-CG1 4.1Å; L201-Q226 WeakPolarHBondContact O-CB 3.39Å; L201-Q226 PolarHBondContact O-N 3.13Å; L201-P228 HydrophobicContact CD2-CG 4.24Å |
| 202 | T | 69.8 | Low | 78.6 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 113.3 | 176.1 | -53.4 | 0 | 0 | 0 | 0 | 108.7 | Y34 S199 I205 | Y34-T202 HydrophobicContact CD2-CG2 4.46Å; Y34-T202 WeakPolarHBondContact CD2-OG1 3.43Å; Y34-T202 HydrophobicContact CE2-CG2 4.25Å; S199-T202 PolarHBondContact O-N 2.94Å; T202-I205 HydrophobicContact CG2-CD1 4.23Å; T202-I205 HydrophobicContact CG2-CG1 4.03Å |
| 203 | K | 70.8 | Confident | 80.5 | Confident | 116 Ų | 116 | 66.4 Ų | 66.4 | 50% | 0.504 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -41.2 | -178.1 | -67.6 | -157.3 | -179.4 | -171 | 0 | 113 | L201 T224 Q226 L238 | L201-K203 PolarHBondContact O-N 3.25Å; K203-T224 PolarHBondContact N-O 2.85Å; K203-Q226 HydrophobicContact CG-CB 4.28Å; K203-L238 HydrophobicContact CD-CD2 3.87Å |
| 204 | D | 79.2 | Confident | 81.8 | Confident | 84 Ų | 84 | 65.1 Ų | 65.1 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 146.6 | -169.6 | -173.1 | 39.8 | 0 | 0 | 0 | 111.4 | T206 T224 | D204-T206 PolarHBondContact OD2-OG1 2.97Å; D204-T224 PolarHBondContact O-N 3.26Å |
| 205 | I | 83.6 | Confident | 82.7 | Confident | 47 Ų | 47 | 69.3 Ų | 69.3 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 103 | 174.5 | -56.2 | 177 | 0 | 0 | 0 | 108 | T202 L221 D222 Y223 | T202-I205 HydrophobicContact CG2-CD1 4.23Å; T202-I205 HydrophobicContact CG2-CG1 4.03Å; I205-L221 HydrophobicContact CG2-CB 4.13Å; I205-L221 HydrophobicContact CG2-CD2 4.16Å; I205-D222 WeakPolarHBondContact CA-O 3.31Å; I205-Y223 HydrophobicContact CD1-CD1 3.92Å; I205-Y223 HydrophobicContact CD1-CE1 3.81Å; I205-Y223 HydrophobicContact CG1-CD1 3.82Å; I205-Y223 HydrophobicContact CG1-CE1 4.14Å; I205-Y223 HydrophobicContact CG2-CD1 4.31Å; I205-Y223 HydrophobicContact CG2-CE1 4.17Å |
| 206 | T | 88.8 | Confident | 83.5 | Confident | 67 Ų | 67 | 70 Ų | 70 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 130.8 | 173.4 | -57.1 | 0 | 0 | 0 | 0 | 109.5 | D204 L221 D222 | D204-T206 PolarHBondContact OD2-OG1 2.97Å; T206-L221 WeakPolarHBondContact O-CA 3.5Å; T206-D222 PolarHBondContact N-O 3.4Å; T206-D222 PolarHBondContact O-N 2.88Å |
| 207 | T | 92.4 | Very high | 84.3 | Confident | 26 Ų | 26 | 73.1 Ų | 73.1 | 16% | 0.16 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.7 | 179.8 | -55.4 | 0 | 0 | 0 | 0 | 109.9 | I183 G187 A189 V209 V219 L221 | I183-T207 HydrophobicContact CG2-CG2 3.9Å; G187-T207 WeakPolarHBondContact O-CB 3.48Å; G187-T207 WeakPolarHBondContact O-CG2 3.25Å; A189-T207 PolarHBondContact N-OG1 2.93Å; T207-V209 HydrophobicContact CG2-CG2 4.37Å; T207-V219 HydrophobicContact CG2-CG1 4.09Å; T207-L221 HydrophobicContact CG2-CD2 3.85Å; T207-L221 WeakPolarHBondContact OG1-CD2 3.23Å |
| 208 | S | 94.2 | Very high | 85.5 | Confident | 34 Ų | 34 | 73 Ų | 73 | 24% | 0.238 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.7 | 172 | -62.8 | 0 | 0 | 0 | 0 | 109.1 | Y6 V219 T220 | Y6-S208 PolarHBondContact OH-OG 2.95Å; S208-V219 CarbonylContact O-C 3.58Å; S208-V219 WeakPolarHBondContact O-CA 3.47Å; S208-T220 PolarHBondContact N-O 2.84Å; S208-T220 PolarHBondContact O-N 3Å |
| 209 | V | 95.8 | Very high | 86.8 | Confident | 55 Ų | 55 | 70 Ų | 70 | 33% | 0.333 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123 | 177.8 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | L184 T207 I211 V219 | L184-V209 HydrophobicContact CD2-CG1 3.7Å; T207-V209 HydrophobicContact CG2-CG2 4.37Å; V209-I211 HydrophobicContact CG1-CG1 4.12Å; V209-V219 HydrophobicContact CG1-CG2 4.43Å; V209-V219 HydrophobicContact CG2-CG2 4.29Å |
| 210 | L | 95.6 | Very high | 88.1 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 38% | 0.377 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 119.1 | 172.7 | 178.4 | 63.2 | 0 | 0 | 0 | 109.5 | V212 H217 M218 | L210-V212 HydrophobicContact CG-CG2 4.22Å; L210-H217 PolarHBondContact O-N 3.04Å; L210-M218 HydrophobicContact CB-CB 4.21Å; L210-M218 HydrophobicContact CB-CE 4.41Å; L210-M218 HydrophobicContact CD2-CB 4.42Å; L210-M218 HydrophobicContact CD2-CE 3.86Å; L210-M218 PolarHBondContact N-O 3.48Å; L210-M218 PolarHBondContact O-N 2.98Å |
| 211 | I | 95.6 | Very high | 89.2 | Confident | 102 Ų | 102 | 61.7 Ų | 61.7 | 52% | 0.523 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.9 | 175.4 | -56.9 | 176.8 | 0 | 0 | 0 | 108.3 | V209 K215 | V209-I211 HydrophobicContact CG1-CG1 4.12Å; I211-K215 WeakPolarHBondContact CA-O 3.48Å |
| 212 | V | 94.3 | Very high | 90.1 | Very high | 65 Ų | 65 | 61.4 Ų | 61.4 | 39% | 0.394 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.3 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | L210 N214 K215 H217 | L210-V212 HydrophobicContact CG-CG2 4.22Å; V212-N214 VanDerWaalsContact C-N 3.27Å; V212-N214 PolarHBondContact O-N 3.1Å; V212-K215 PolarHBondContact N-O 3.2Å; V212-K215 WeakPolarHBondContact O-CB 3.2Å; V212-K215 PolarHBondContact O-N 2.94Å; V212-H217 HydrophobicContact CB-CB 4.24Å; V212-H217 HydrophobicContact CG2-CB 3.8Å |
| 213 | N | 94.6 | Very high | 90.8 | Very high | 160 Ų | 160 | 59.9 Ų | 59.9 | 86% | 0.856 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 46.3 | -179 | -60.5 | -25 | 0 | 0 | 0 | 113.2 | K215 | N213-K215 PolarHBondContact O-N 3.3Š|
| 214 | N | 92.2 | Very high | 91.4 | Very high | 160 Ų | 160 | 55 Ų | 55 | 86% | 0.856 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 15.1 | -178.5 | -155.9 | 45 | 0 | 0 | 0 | 115.4 | V212 | V212-N214 VanDerWaalsContact C-N 3.27Å; V212-N214 PolarHBondContact O-N 3.1Å |
| 215 | K | 92.9 | Very high | 91.5 | Very high | 103 Ų | 103 | 51 Ų | 51 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.6 | 172.2 | -173 | -178.6 | 176.2 | -171.8 | 0 | 109.6 | I211 V212 N213 H217 | I211-K215 WeakPolarHBondContact CA-O 3.48Å; V212-K215 PolarHBondContact N-O 3.2Å; V212-K215 WeakPolarHBondContact O-CB 3.2Å; V212-K215 PolarHBondContact O-N 2.94Å; N213-K215 PolarHBondContact O-N 3.3Å; K215-H217 PolarHBondContact O-N 2.96Å |
| 216 | A | 95 | Very high | 91.4 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 123 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | L184 P247 | L184-A216 HydrophobicContact CD1-CB 3.72Å; L184-A216 HydrophobicContact CD2-CB 3.58Å; L184-A216 HydrophobicContact CG-CB 4.31Å; A216-P247 HydrophobicContact CB-CG 3.79Å |
| 217 | H | 93.6 | Very high | 90.9 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 30% | 0.296 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -36.1 | -173 | -172.2 | 66.4 | 0 | 0 | 0 | 111.9 | D148 L210 V212 K215 | D148-H217 PolarHBondContact O-CE1 2.67Å; L210-H217 PolarHBondContact O-N 3.04Å; V212-H217 HydrophobicContact CB-CB 4.24Å; V212-H217 HydrophobicContact CG2-CB 3.8Å; K215-H217 PolarHBondContact O-N 2.96Å |
| 218 | M | 95.9 | Very high | 90.2 | Very high | 30 Ų | 30 | 51.3 Ų | 51.3 | 15% | 0.148 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 141.9 | -177.4 | -176.3 | 175.8 | 70.4 | 0 | 0 | 110.8 | T8 L210 Y245 | T8-M218 HydrophobicContact CG2-CE 3.51Å; L210-M218 HydrophobicContact CB-CB 4.21Å; L210-M218 HydrophobicContact CB-CE 4.41Å; L210-M218 HydrophobicContact CD2-CB 4.42Å; L210-M218 HydrophobicContact CD2-CE 3.86Å; L210-M218 PolarHBondContact N-O 3.48Å; L210-M218 PolarHBondContact O-N 2.98Å; M218-Y245 CarbonylContact C-O 3.59Å; M218-Y245 WeakPolarHBondContact CA-O 3.28Å |
| 219 | V | 95.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125.6 | 166.5 | 170.2 | 0 | 0 | 0 | 0 | 107.7 | Y180 I183 L184 T207 S208 V209 L221 S244 Y245 P247 | Y180-V219 HydrophobicContact CD1-CB 4.48Å; Y180-V219 HydrophobicContact CD1-CG2 4.19Å; Y180-V219 HydrophobicContact CE1-CB 4.17Å; Y180-V219 HydrophobicContact CE1-CG1 4.37Å; Y180-V219 HydrophobicContact CE1-CG2 4.38Å; I183-V219 HydrophobicContact CG2-CG1 4.09Å; I183-V219 HydrophobicContact CG2-CG2 4.18Å; L184-V219 HydrophobicContact CD2-CG2 4.17Å; T207-V219 HydrophobicContact CG2-CG1 4.09Å; S208-V219 CarbonylContact O-C 3.58Å; S208-V219 WeakPolarHBondContact O-CA 3.47Å; V209-V219 HydrophobicContact CG1-CG2 4.43Å; V209-V219 HydrophobicContact CG2-CG2 4.29Å; V219-L221 HydrophobicContact CG1-CD2 3.95Å; V219-L221 HydrophobicContact CG1-CG 4.29Å; V219-S244 CarbonylContact O-C 3.59Å; V219-S244 WeakPolarHBondContact O-CA 3.22Å; V219-Y245 PolarHBondContact N-O 2.8Å; V219-Y245 PolarHBondContact O-N 3.49Å; V219-P247 HydrophobicContact CG2-CB 3.77Å; V219-P247 HydrophobicContact CG2-CG 4.29Å |
| 220 | T | 93.8 | Very high | 88 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.1 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 108.9 | S208 R242 L243 S244 | S208-T220 PolarHBondContact N-O 2.84Å; S208-T220 PolarHBondContact O-N 3Å; T220-R242 VanDerWaalsContact CG2-CD 3.42Å; T220-R242 HydrophobicContact CG2-CG 3.38Å; T220-L243 WeakPolarHBondContact CA-O 3.36Å; T220-S244 PolarHBondContact OG1-OG 3.04Å |
| 221 | L | 90.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 121.4 | 178.2 | -57.4 | 180 | 0 | 0 | 0 | 109 | I205 T206 T207 V219 Y223 R242 L243 Y245 | I205-L221 HydrophobicContact CG2-CB 4.13Å; I205-L221 HydrophobicContact CG2-CD2 4.16Å; T206-L221 WeakPolarHBondContact O-CA 3.5Å; T207-L221 HydrophobicContact CG2-CD2 3.85Å; T207-L221 WeakPolarHBondContact OG1-CD2 3.23Å; V219-L221 HydrophobicContact CG1-CD2 3.95Å; V219-L221 HydrophobicContact CG1-CG 4.29Å; L221-Y223 HydrophobicContact CB-CD2 4.31Å; L221-Y223 HydrophobicContact CB-CE1 4.47Å; L221-Y223 HydrophobicContact CB-CE2 3.59Å; L221-Y223 VanDerWaalsContact CD1-OH 3.23Å; L221-Y223 WeakPolarHBondContact CD1-OH 3.39Å; L221-R242 WeakPolarHBondContact O-CA 3.38Å; L221-L243 PolarHBondContact N-O 3.48Å; L221-L243 PolarHBondContact O-N 2.86Å; L221-Y245 HydrophobicContact CB-CE2 4.12Å; L221-Y245 HydrophobicContact CD1-CD2 4.09Å; L221-Y245 HydrophobicContact CD1-CE2 3.62Å; L221-Y245 HydrophobicContact CG-CD2 4.16Å; L221-Y245 HydrophobicContact CG-CE2 3.86Å |
| 222 | D | 87.8 | Confident | 85.3 | Confident | 37 Ų | 37 | 55 Ų | 55 | 20% | 0.198 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 109.6 | 172.1 | -70.8 | -66.6 | 0 | 0 | 0 | 108.9 | I205 T206 R242 | I205-D222 WeakPolarHBondContact CA-O 3.31Å; T206-D222 PolarHBondContact N-O 3.4Å; T206-D222 PolarHBondContact O-N 2.88Å; D222-R242 VanDerWaalsContact CG-NH2 3.32Å; D222-R242 IonicContact OD1-CZ 3.49Å; D222-R242 IonicContact OD1-NE 3.76Å; D222-R242 PolarHBondContact OD1-NE 3.43Å; D222-R242 IonicContact OD1-NH2 2.75Å; D222-R242 PolarHBondContact OD1-NH2 2.85Å; D222-R242 VanDerWaalsContact OD1-NH2 3.09Å; D222-R242 IonicContact OD2-CZ 3.46Å; D222-R242 IonicContact OD2-NE 2.79Å; D222-R242 IonicContact OD2-NH2 3.4Å; D222-R242 PolarHBondContact OD2-NH2 2.96Å |
| 223 | Y | 84.2 | Confident | 84.1 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 125.9 | -179.5 | -60.8 | -88.7 | 0 | 0 | 0 | 109.6 | Y34 I205 L221 K240 F241 L243 Y245 | Y34-Y223 HydrophobicContact CD2-CD1 4.32Å; Y34-Y223 HydrophobicContact CE1-CE1 4.41Å; Y34-Y223 AromaticContact CE2-CD1 3.59Å; Y34-Y223 HydrophobicContact CE2-CD1 3.59Å; Y34-Y223 AromaticContact CE2-CE1 3.79Å; Y34-Y223 HydrophobicContact CE2-CE1 3.79Å; Y34-Y223 AromaticContact CZ-CD1 3.85Å; Y34-Y223 AromaticContact CZ-CE1 3.56Å; Y34-Y223 WeakPolarHBondContact OH-CE1 3.16Å; I205-Y223 HydrophobicContact CD1-CD1 3.92Å; I205-Y223 HydrophobicContact CD1-CE1 3.81Å; I205-Y223 HydrophobicContact CG1-CD1 3.82Å; I205-Y223 HydrophobicContact CG1-CE1 4.14Å; I205-Y223 HydrophobicContact CG2-CD1 4.31Å; I205-Y223 HydrophobicContact CG2-CE1 4.17Å; L221-Y223 HydrophobicContact CB-CD2 4.31Å; L221-Y223 HydrophobicContact CB-CE1 4.47Å; L221-Y223 HydrophobicContact CB-CE2 3.59Å; L221-Y223 VanDerWaalsContact CD1-OH 3.23Å; L221-Y223 WeakPolarHBondContact CD1-OH 3.39Å; Y223-K240 VanDerWaalsContact O-CA 3.27Å; Y223-K240 WeakPolarHBondContact O-CA 3.49Å; Y223-F241 HydrophobicContact CD1-CZ 4.4Å; Y223-F241 AromaticContact CD2-CD2 3.84Å; Y223-F241 HydrophobicContact CD2-CD2 3.84Å; Y223-F241 AromaticContact CD2-CE2 3.33Å; Y223-F241 HydrophobicContact CD2-CE2 3.33Å; Y223-F241 AromaticContact CD2-CZ 3.82Å; Y223-F241 HydrophobicContact CD2-CZ 3.82Å; Y223-F241 AromaticContact CE2-CE2 3.99Å; Y223-F241 HydrophobicContact CE2-CE2 3.99Å; Y223-F241 HydrophobicContact CG-CD2 4.4Å; Y223-F241 HydrophobicContact CG-CE1 4.32Å; Y223-F241 AromaticContact CG-CE2 3.71Å; Y223-F241 HydrophobicContact CG-CE2 3.71Å; Y223-F241 AromaticContact CG-CZ 3.66Å; Y223-F241 HydrophobicContact CG-CZ 3.66Å; Y223-F241 PolarHBondContact N-O 3.37Å; Y223-F241 PolarHBondContact O-N 2.95Å; Y223-F241 VanDerWaalsContact O-N 3.15Å; Y223-L243 HydrophobicContact CE2-CB 4.07Å; Y223-L243 HydrophobicContact CE2-CD1 3.91Å; Y223-L243 HydrophobicContact CE2-CG 4.15Å; Y223-Y245 PolarHBondContact OH-OH 2.87Å |
| 224 | T | 83.8 | Confident | 82.6 | Confident | 14 Ų | 14 | 54.4 Ų | 54.4 | 9% | 0.086 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 109.4 | 169.7 | -58.9 | 0 | 0 | 0 | 0 | 109.2 | K203 D204 L238 K240 | K203-T224 PolarHBondContact N-O 2.85Å; D204-T224 PolarHBondContact O-N 3.26Å; T224-L238 HydrophobicContact CG2-CB 4.32Å; T224-L238 HydrophobicContact CG2-CD1 4.22Å; T224-L238 HydrophobicContact CG2-CD2 4.09Å; T224-L238 HydrophobicContact CG2-CG 4.45Å; T224-K240 HydrophobicContact CG2-CG 4.27Å; T224-K240 WeakPolarHBondContact OG1-CE 3.32Å |
| 225 | V | 81.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.1 | -177.8 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | V30 L33 Y34 L201 L238 S239 F241 | V30-V225 HydrophobicContact CG1-CB 3.84Å; V30-V225 HydrophobicContact CG1-CG1 3.82Å; V30-V225 HydrophobicContact CG1-CG2 4.15Å; L33-V225 HydrophobicContact CB-CG1 4.18Å; Y34-V225 HydrophobicContact CD2-CG2 4.24Å; L201-V225 HydrophobicContact CB-CG1 4.1Å; V225-L238 WeakPolarHBondContact O-CA 3.19Å; V225-S239 PolarHBondContact N-O 3.17Å; V225-S239 PolarHBondContact O-N 2.77Å; V225-F241 HydrophobicContact CG2-CE1 3.81Å |
| 226 | Q | 81.1 | Confident | 80.6 | Confident | 48 Ų | 48 | 48 Ų | 48 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 123.9 | 173.1 | -163.9 | 168.8 | 11.2 | 0 | 0 | 110 | L201 K203 P228 P236 G237 | L201-Q226 WeakPolarHBondContact O-CB 3.39Å; L201-Q226 PolarHBondContact O-N 3.13Å; K203-Q226 HydrophobicContact CG-CB 4.28Å; Q226-P228 WeakPolarHBondContact O-CD 3.49Å; Q226-P236 HydrophobicContact CG-CB 3.44Å; Q226-P236 VanDerWaalsContact CG-CB 3.44Å; Q226-P236 HydrophobicContact CG-CG 4.46Å; Q226-G237 CarbonylContact C-O 3.58Å; Q226-G237 WeakPolarHBondContact CA-O 3.36Å |
| 227 | V | 79.5 | Confident | 79.8 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 110.1 | 177.2 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | L33 G229 A230 G237 | L33-V227 HydrophobicContact CD1-CB 4.36Å; L33-V227 HydrophobicContact CD1-CG1 3.96Å; L33-V227 HydrophobicContact CD1-CG2 4Å; V227-G229 PolarHBondContact O-N 3.49Å; V227-A230 HydrophobicContact CB-CB 3.84Å; V227-A230 HydrophobicContact CG1-CB 3.71Å; V227-A230 PolarHBondContact O-N 3.41Å; V227-G237 PolarHBondContact N-O 3.04Å; V227-G237 PolarHBondContact O-N 3.21Å |
| 228 | P | 77 | Confident | 79.2 | Confident | 81 Ų | 81 | 49.2 Ų | 49.2 | 53% | 0.526 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 134.8 | 177.8 | -23.8 | 34.1 | 0 | 0 | 0 | 111.5 | L201 Q226 A230 | L201-P228 HydrophobicContact CD2-CG 4.24Å; Q226-P228 WeakPolarHBondContact O-CD 3.49Å; P228-A230 VanDerWaalsContact C-N 3.26Å; P228-A230 PolarHBondContact O-N 3.44Å |
| 229 | G | 71.8 | Confident | 78.5 | Confident | 60 Ų | 60 | 48.1 Ų | 48.1 | 62% | 0.619 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 9.9 | 175 | 0 | 0 | 0 | 0 | 0 | 116.2 | V227 | V227-G229 PolarHBondContact O-N 3.49Š|
| 230 | A | 71.4 | Confident | 77.9 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 51% | 0.512 | 34% | 0.34 | S | S | . | . | trans | -91.1 | -4.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V227 P228 | V227-A230 HydrophobicContact CB-CB 3.84Å; V227-A230 HydrophobicContact CG1-CB 3.71Å; V227-A230 PolarHBondContact O-N 3.41Å; P228-A230 VanDerWaalsContact C-N 3.26Å; P228-A230 PolarHBondContact O-N 3.44Å | ||
| 231 | G | 70.8 | Confident | 77.3 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 22% | 0.216 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -83 | 154.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D233 G234 S235 | G231-D233 PolarHBondContact O-N 3.39Å; G231-D233 VanDerWaalsContact O-N 3.13Å; G231-G234 PolarHBondContact O-N 3.47Å; G231-S235 WeakPolarHBondContact CA-O 3.4Å; G231-S235 PolarHBondContact N-O 3.11Å |
| 232 | Q | 63.6 | Low | 77.2 | Confident | 199 Ų | 199 | 58.1 Ų | 58.1 | 93% | 0.93 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24 | -176.3 | -72.8 | -177.3 | -18.1 | 0 | 0 | 113.8 | ||
| 233 | D | 71.1 | Confident | 77.2 | Confident | 151 Ų | 151 | 56.7 Ų | 56.7 | 81% | 0.807 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | 20.3 | -177.5 | -54.5 | -34.3 | 0 | 0 | 0 | 113 | G231 S235 | G231-D233 PolarHBondContact O-N 3.39Å; G231-D233 VanDerWaalsContact O-N 3.13Å; D233-S235 PolarHBondContact O-N 3.01Å |
| 234 | G | 63.2 | Low | 77.6 | Confident | 61 Ų | 61 | 56.8 Ų | 56.8 | 63% | 0.629 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 76.2 | 2.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114 | G231 | G231-G234 PolarHBondContact O-N 3.47Š|
| 235 | S | 69.1 | Low | 78.2 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 158.1 | 169.7 | 62 | 0 | 0 | 0 | 0 | 111.1 | G231 D233 G237 | G231-S235 WeakPolarHBondContact CA-O 3.4Å; G231-S235 PolarHBondContact N-O 3.11Å; D233-S235 PolarHBondContact O-N 3.01Å; S235-G237 PolarHBondContact O-N 2.87Å |
| 236 | P | 72.4 | Confident | 79 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 127.4 | 177.5 | -15 | 29.5 | 0 | 0 | 0 | 110.8 | Q226 | Q226-P236 HydrophobicContact CG-CB 3.44Å; Q226-P236 VanDerWaalsContact CG-CB 3.44Å; Q226-P236 HydrophobicContact CG-CG 4.46Å |
| 237 | G | 78.4 | Confident | 79.8 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 14% | 0.144 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 167.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q226 V227 S235 | Q226-G237 CarbonylContact C-O 3.58Å; Q226-G237 WeakPolarHBondContact CA-O 3.36Å; V227-G237 PolarHBondContact N-O 3.04Å; V227-G237 PolarHBondContact O-N 3.21Å; S235-G237 PolarHBondContact O-N 2.87Å |
| 238 | L | 81.2 | Confident | 80.7 | Confident | 103 Ų | 103 | 54.6 Ų | 54.6 | 54% | 0.539 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128 | 169.8 | -61.6 | 177.2 | 0 | 0 | 0 | 108.8 | K203 T224 V225 | K203-L238 HydrophobicContact CD-CD2 3.87Å; T224-L238 HydrophobicContact CG2-CB 4.32Å; T224-L238 HydrophobicContact CG2-CD1 4.22Å; T224-L238 HydrophobicContact CG2-CD2 4.09Å; T224-L238 HydrophobicContact CG2-CG 4.45Å; V225-L238 WeakPolarHBondContact O-CA 3.19Å |
| 239 | S | 81 | Confident | 81.7 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 5% | 0.049 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 142.2 | 162.9 | 171.1 | 0 | 0 | 0 | 0 | 109 | E26 V225 | E26-S239 WeakPolarHBondContact OE1-CB 3.21Å; E26-S239 PolarHBondContact OE1-OG 2.83Å; V225-S239 PolarHBondContact N-O 3.17Å; V225-S239 PolarHBondContact O-N 2.77Å |
| 240 | K | 82.6 | Confident | 82.9 | Confident | 152 Ų | 152 | 51 Ų | 51 | 66% | 0.661 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132.4 | 174.1 | -64.7 | -171.4 | 178.6 | -172.4 | 0 | 109.3 | Y223 T224 | Y223-K240 VanDerWaalsContact O-CA 3.27Å; Y223-K240 WeakPolarHBondContact O-CA 3.49Å; T224-K240 HydrophobicContact CG2-CG 4.27Å; T224-K240 WeakPolarHBondContact OG1-CE 3.32Å |
| 241 | F | 82.8 | Confident | 84.2 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 154.6 | 169.9 | 66.8 | -88.5 | 0 | 0 | 0 | 109.9 | A27 V30 Y34 Y223 V225 L243 | A27-F241 HydrophobicContact CB-CB 4.48Å; A27-F241 HydrophobicContact CB-CD2 3.99Å; A27-F241 HydrophobicContact CB-CG 4.32Å; V30-F241 HydrophobicContact CG1-CE1 4.23Å; Y34-F241 HydrophobicContact CD1-CZ 4.32Å; Y34-F241 HydrophobicContact CD2-CZ 4.35Å; Y34-F241 HydrophobicContact CG-CZ 4.06Å; Y223-F241 HydrophobicContact CD1-CZ 4.4Å; Y223-F241 AromaticContact CD2-CD2 3.84Å; Y223-F241 HydrophobicContact CD2-CD2 3.84Å; Y223-F241 AromaticContact CD2-CE2 3.33Å; Y223-F241 HydrophobicContact CD2-CE2 3.33Å; Y223-F241 AromaticContact CD2-CZ 3.82Å; Y223-F241 HydrophobicContact CD2-CZ 3.82Å; Y223-F241 AromaticContact CE2-CE2 3.99Å; Y223-F241 HydrophobicContact CE2-CE2 3.99Å; Y223-F241 HydrophobicContact CG-CD2 4.4Å; Y223-F241 HydrophobicContact CG-CE1 4.32Å; Y223-F241 AromaticContact CG-CE2 3.71Å; Y223-F241 HydrophobicContact CG-CE2 3.71Å; Y223-F241 AromaticContact CG-CZ 3.66Å; Y223-F241 HydrophobicContact CG-CZ 3.66Å; Y223-F241 PolarHBondContact N-O 3.37Å; Y223-F241 PolarHBondContact O-N 2.95Å; Y223-F241 VanDerWaalsContact O-N 3.15Å; V225-F241 HydrophobicContact CG2-CE1 3.81Å; F241-L243 HydrophobicContact CD2-CD1 4.24Å; F241-L243 HydrophobicContact CD2-CG 4.06Å; F241-L243 HydrophobicContact CE2-CD1 3.8Å; F241-L243 HydrophobicContact CE2-CG 4.12Å |
| 242 | R | 86.4 | Confident | 85.5 | Confident | 50 Ų | 50 | 52.2 Ų | 52.2 | 19% | 0.189 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.7 | -174.6 | 174.8 | 173.6 | -77.3 | -164.3 | -7.9 | 109.4 | Y6 R7 T220 L221 D222 | Y6-R242 VanDerWaalsContact CZ-NH1 3.33Å; R7-R242 PolarHBondContact O-NH1 3.44Å; T220-R242 VanDerWaalsContact CG2-CD 3.42Å; T220-R242 HydrophobicContact CG2-CG 3.38Å; L221-R242 WeakPolarHBondContact O-CA 3.38Å; D222-R242 VanDerWaalsContact CG-NH2 3.32Å; D222-R242 IonicContact OD1-CZ 3.49Å; D222-R242 IonicContact OD1-NE 3.76Å; D222-R242 PolarHBondContact OD1-NE 3.43Å; D222-R242 IonicContact OD1-NH2 2.75Å; D222-R242 PolarHBondContact OD1-NH2 2.85Å; D222-R242 VanDerWaalsContact OD1-NH2 3.09Å; D222-R242 IonicContact OD2-CZ 3.46Å; D222-R242 IonicContact OD2-NE 2.79Å; D222-R242 IonicContact OD2-NH2 3.4Å; D222-R242 PolarHBondContact OD2-NH2 2.96Å |
| 243 | L | 89.1 | Confident | 87.2 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 144.5 | 170.1 | -60.3 | 171.3 | 0 | 0 | 0 | 109.7 | Q21 Y22 T220 L221 Y223 F241 Y245 | Q21-L243 HydrophobicContact CB-CD2 4.21Å; Y22-L243 HydrophobicContact CD1-CD2 4.44Å; Y22-L243 HydrophobicContact CE1-CD1 4.38Å; Y22-L243 HydrophobicContact CE1-CD2 3.95Å; T220-L243 WeakPolarHBondContact CA-O 3.36Å; L221-L243 PolarHBondContact N-O 3.48Å; L221-L243 PolarHBondContact O-N 2.86Å; Y223-L243 HydrophobicContact CE2-CB 4.07Å; Y223-L243 HydrophobicContact CE2-CD1 3.91Å; Y223-L243 HydrophobicContact CE2-CG 4.15Å; F241-L243 HydrophobicContact CD2-CD1 4.24Å; F241-L243 HydrophobicContact CD2-CG 4.06Å; F241-L243 HydrophobicContact CE2-CD1 3.8Å; F241-L243 HydrophobicContact CE2-CG 4.12Å; L243-Y245 HydrophobicContact CB-CE2 3.68Å; L243-Y245 VanDerWaalsContact CB-OH 3.32Å; L243-Y245 WeakPolarHBondContact CB-OH 3.32Å; L243-Y245 WeakPolarHBondContact CD1-OH 3.33Å |
| 244 | S | 93.1 | Very high | 88.5 | Confident | 8 Ų | 8 | 36.8 Ų | 36.8 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 141.9 | -179.7 | -73.8 | 0 | 0 | 0 | 0 | 110.9 | T8 Q21 V219 T220 | T8-S244 PolarHBondContact O-OG 3.21Å; Q21-S244 PolarHBondContact NE2-O 3.41Å; Q21-S244 PolarHBondContact OE1-O 3.32Å; V219-S244 CarbonylContact O-C 3.59Å; V219-S244 WeakPolarHBondContact O-CA 3.22Å; T220-S244 PolarHBondContact OG1-OG 3.04Å |
| 245 | Y | 95.9 | Very high | 90.1 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 146.1 | -170.9 | -52.3 | -88.8 | 0 | 0 | 0 | 111 | N141 A144 H145 Y180 M218 V219 L221 Y223 L243 | N141-Y245 WeakPolarHBondContact ND2-CD1 3.44Å; N141-Y245 WeakPolarHBondContact ND2-CE1 3.47Å; A144-Y245 HydrophobicContact CB-CD1 4.09Å; A144-Y245 CarbonylContact O-C 3.59Å; A144-Y245 WeakPolarHBondContact O-CA 3.42Å; H145-Y245 AromaticContact CD2-CE1 3.94Å; H145-Y245 AromaticContact CE1-CE1 3.32Å; H145-Y245 WeakPolarHBondContact CE1-CE1 3.23Å; H145-Y245 AromaticContact CE1-CZ 3.85Å; H145-Y245 AromaticContact ND1-CE1 3.91Å; H145-Y245 AromaticContact NE2-CE1 3.31Å; H145-Y245 VanDerWaalsContact NE2-CE1 3.31Å; H145-Y245 WeakPolarHBondContact NE2-CE1 3.31Å; Y180-Y245 WeakPolarHBondContact OH-CB 3.2Å; M218-Y245 CarbonylContact C-O 3.59Å; M218-Y245 WeakPolarHBondContact CA-O 3.28Å; V219-Y245 PolarHBondContact N-O 2.8Å; V219-Y245 PolarHBondContact O-N 3.49Å; L221-Y245 HydrophobicContact CB-CE2 4.12Å; L221-Y245 HydrophobicContact CD1-CD2 4.09Å; L221-Y245 HydrophobicContact CD1-CE2 3.62Å; L221-Y245 HydrophobicContact CG-CD2 4.16Å; L221-Y245 HydrophobicContact CG-CE2 3.86Å; Y223-Y245 PolarHBondContact OH-OH 2.87Å; L243-Y245 HydrophobicContact CB-CE2 3.68Å; L243-Y245 VanDerWaalsContact CB-OH 3.32Å; L243-Y245 WeakPolarHBondContact CB-OH 3.32Å; L243-Y245 WeakPolarHBondContact CD1-OH 3.33Å |
| 246 | Y | 97.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | trans | -77 | 125.8 | 164.4 | -168.1 | -92.1 | 0 | 0 | 0 | 110.1 | A144 D148 Q153 H156 H248 | A144-Y246 PolarHBondContact O-N 3.42Å; D148-Y246 HydrophobicContact CB-CD2 3.7Å; D148-Y246 HydrophobicContact CB-CE2 3.35Å; Q153-Y246 PolarHBondContact NE2-OH 3.12Å; H156-Y246 AromaticContact CE1-CD1 3.58Å; H156-Y246 AromaticContact CE1-CD2 3.68Å; H156-Y246 AromaticContact CE1-CE1 3.83Å; H156-Y246 AromaticContact CE1-CE2 3.92Å; H156-Y246 AromaticContact CE1-CG 3.46Å; H156-Y246 VanDerWaalsContact CE1-CG 3.46Å; H156-Y246 AromaticContact CE1-CZ 3.97Å; H156-Y246 AromaticContact NE2-CG 3.98Å; Y246-H248 VanDerWaalsContact C-N 3.33Å; Y246-H248 AromaticContact CD1-CD2 3.85Å; Y246-H248 AromaticContact CD1-CE1 3.36Å; Y246-H248 WeakPolarHBondContact CD1-CE1 3.38Å; Y246-H248 AromaticContact CD1-CG 3.8Å; Y246-H248 AromaticContact CD1-ND1 3.5Å; Y246-H248 WeakPolarHBondContact CD1-ND1 3.23Å; Y246-H248 AromaticContact CD1-NE2 3.59Å; Y246-H248 AromaticContact CE1-CE1 3.93Å; Y246-H248 AromaticContact CE1-ND1 3.84Å; Y246-H248 PolarHBondContact O-CD2 2.83Å; Y246-H248 PolarHBondContact O-N 3.27Å | ||
| 247 | P | 97.4 | Very high | 92.8 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | trans | -82.3 | 76.1 | -174.1 | 32.7 | -34.4 | 0 | 0 | 0 | 112.2 | Y180 L184 A216 V219 C249 | Y180-P247 HydrophobicContact CD1-CB 3.72Å; Y180-P247 HydrophobicContact CE1-CB 4.41Å; Y180-P247 VanDerWaalsContact CG-CA 3.42Å; Y180-P247 HydrophobicContact CG-CB 3.86Å; L184-P247 HydrophobicContact CD1-CB 4.06Å; L184-P247 HydrophobicContact CD1-CG 4.49Å; L184-P247 HydrophobicContact CD2-CB 3.98Å; L184-P247 HydrophobicContact CD2-CG 4.28Å; L184-P247 HydrophobicContact CG-CB 4.19Å; A216-P247 HydrophobicContact CB-CG 3.79Å; V219-P247 HydrophobicContact CG2-CB 3.77Å; V219-P247 HydrophobicContact CG2-CG 4.29Å; P247-C249 PolarHBondContact O-N 3.49Å; P247-C249 VanDerWaalsContact O-N 3.1Å | ||
| 248 | H | 98.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | trans | -63.1 | 108.1 | 177.1 | -68.4 | -72.1 | 0 | 0 | 0 | 111.8 | F143 H156 H177 Y180 Y246 F253 | F143-H248 AromaticContact CD1-NE2 3.68Å; F143-H248 AromaticContact CE1-CE1 3.88Å; F143-H248 AromaticContact CE1-NE2 3.69Å; H156-H248 AromaticContact CE1-CE1 3.67Å; H156-H248 AromaticContact CG-CE1 3.98Å; H156-H248 AromaticContact ND1-CE1 3.66Å; H156-H248 AromaticContact NE2-CE1 3.99Å; H177-H248 PolarHBondContact CE1-O 3.2Å; H177-H248 VanDerWaalsContact CE1-O 3.23Å; H177-H248 PolarHBondContact ND1-O 2.81Å; H177-H248 VanDerWaalsContact ND1-O 3.14Å; Y180-H248 HydrophobicContact CD2-CB 4.4Å; Y180-H248 WeakPolarHBondContact CD2-O 3.4Å; Y246-H248 VanDerWaalsContact C-N 3.33Å; Y246-H248 AromaticContact CD1-CD2 3.85Å; Y246-H248 AromaticContact CD1-CE1 3.36Å; Y246-H248 WeakPolarHBondContact CD1-CE1 3.38Å; Y246-H248 AromaticContact CD1-CG 3.8Å; Y246-H248 AromaticContact CD1-ND1 3.5Å; Y246-H248 WeakPolarHBondContact CD1-ND1 3.23Å; Y246-H248 AromaticContact CD1-NE2 3.59Å; Y246-H248 AromaticContact CE1-CE1 3.93Å; Y246-H248 AromaticContact CE1-ND1 3.84Å; Y246-H248 PolarHBondContact O-CD2 2.83Å; Y246-H248 PolarHBondContact O-N 3.27Å; H248-F253 HydrophobicContact CB-CB 4.16Å; H248-F253 HydrophobicContact CB-CD2 3.92Å; H248-F253 HydrophobicContact CB-CG 4.19Å; H248-F253 AromaticContact CG-CD2 3.68Å; H248-F253 AromaticContact ND1-CD2 3.57Å | ||
| 249 | C | 98.1 | Very high | 94.5 | Very high | 40 Ų | 40 | 35.4 Ų | 35.4 | 27% | 0.27 | 20% | 0.195 | S | C | . | . | trans | -70.7 | 146 | 168.4 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | D181 P247 A251 S252 F253 | D181-C249 WeakPolarHBondContact OD1-CB 3.49Å; P247-C249 PolarHBondContact O-N 3.49Å; P247-C249 VanDerWaalsContact O-N 3.1Å; C249-A251 VanDerWaalsContact C-N 3.32Å; C249-A251 PolarHBondContact O-N 3.32Å; C249-S252 PolarHBondContact O-N 2.96Å; C249-F253 PolarHBondContact O-N 2.86Å | ||
| 250 | L | 98.4 | Very high | 95.3 | Very high | 26 Ų | 26 | 36 Ų | 36 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -53.2 | -45.5 | -174.1 | 173.7 | 61.5 | 0 | 0 | 0 | 113.5 | D181 T254 V269 Y276 F287 | D181-L250 WeakPolarHBondContact OD2-CB 3.43Å; D181-L250 PolarHBondContact OD2-N 3.19Å; L250-T254 VanDerWaalsContact O-CB 3.32Å; L250-T254 WeakPolarHBondContact O-CB 3.48Å; L250-T254 PolarHBondContact O-N 2.82Å; L250-T254 PolarHBondContact O-OG1 3.47Å; L250-V269 HydrophobicContact CD1-CG1 3.95Å; L250-V269 HydrophobicContact CD1-CG2 4.37Å; L250-Y276 HydrophobicContact CD2-CD1 4.24Å; L250-Y276 HydrophobicContact CD2-CE1 3.48Å; L250-Y276 VanDerWaalsContact CD2-CE1 3.48Å; L250-F287 HydrophobicContact CB-CD2 4.14Å; L250-F287 HydrophobicContact CB-CE2 4Å; L250-F287 HydrophobicContact CB-CZ 4.48Å; L250-F287 HydrophobicContact CD1-CB 4.15Å; L250-F287 HydrophobicContact CD1-CD1 4.08Å; L250-F287 HydrophobicContact CD1-CD2 4.11Å; L250-F287 HydrophobicContact CD1-CG 3.86Å; L250-F287 HydrophobicContact CD2-CD1 4.22Å; L250-F287 HydrophobicContact CD2-CE1 3.86Å; L250-F287 HydrophobicContact CD2-CE2 4.18Å; L250-F287 HydrophobicContact CD2-CZ 3.84Å; L250-F287 HydrophobicContact CG-CD2 4.48Å; L250-F287 HydrophobicContact CG-CE2 4.46Å |
| 251 | A | 98.1 | Very high | 96 | Very high | 67 Ų | 67 | 29.2 Ų | 29.2 | 55% | 0.554 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -64.9 | -49.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C249 F253 T254 E255 | C249-A251 VanDerWaalsContact C-N 3.32Å; C249-A251 PolarHBondContact O-N 3.32Å; A251-F253 VanDerWaalsContact C-N 3.35Å; A251-F253 PolarHBondContact O-N 2.84Å; A251-T254 WeakPolarHBondContact O-CB 3.49Å; A251-T254 PolarHBondContact O-N 2.79Å; A251-E255 PolarHBondContact O-N 2.88Å; A251-E255 VanDerWaalsContact O-N 3.12Å |
| 252 | S | 97.6 | Very high | 96.6 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 28% | 0.28 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.5 | -40.8 | -179.7 | -176.9 | 0 | 0 | 0 | 0 | 112 | C249 E255 L256 | C249-S252 PolarHBondContact O-N 2.96Å; S252-E255 PolarHBondContact O-N 2.96Å; S252-L256 WeakPolarHBondContact O-CG 3.48Å; S252-L256 PolarHBondContact O-N 2.83Å |
| 253 | F | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.4 | -37.5 | 178.6 | -161.9 | -115.8 | 0 | 0 | 0 | 112.3 | F143 L160 I175 H177 H248 C249 A251 E255 L256 L257 H289 | F143-F253 AromaticContact CD1-CE2 3.46Å; F143-F253 HydrophobicContact CD1-CE2 3.46Å; F143-F253 VanDerWaalsContact CD1-CE2 3.46Å; F143-F253 AromaticContact CD1-CZ 3.84Å; F143-F253 HydrophobicContact CD1-CZ 3.84Å; F143-F253 AromaticContact CE1-CE2 3.71Å; F143-F253 HydrophobicContact CE1-CE2 3.71Å; F143-F253 HydrophobicContact CE1-CZ 4.42Å; F143-F253 HydrophobicContact CG-CE2 4.37Å; F143-F253 HydrophobicContact CG-CZ 4.35Å; L160-F253 HydrophobicContact CD1-CE2 4.37Å; I175-F253 HydrophobicContact CD1-CZ 3.97Å; I175-F253 HydrophobicContact CG1-CE1 4.37Å; I175-F253 HydrophobicContact CG1-CZ 4.15Å; I175-F253 HydrophobicContact CG2-CE1 4.49Å; H177-F253 AromaticContact CD2-CD1 3.16Å; H177-F253 WeakPolarHBondContact CD2-CD1 3.39Å; H177-F253 AromaticContact CD2-CE1 3.6Å; H177-F253 AromaticContact CD2-CG 3.8Å; H177-F253 AromaticContact NE2-CD1 3.6Å; H248-F253 HydrophobicContact CB-CB 4.16Å; H248-F253 HydrophobicContact CB-CD2 3.92Å; H248-F253 HydrophobicContact CB-CG 4.19Å; H248-F253 AromaticContact CG-CD2 3.68Å; H248-F253 AromaticContact ND1-CD2 3.57Å; C249-F253 PolarHBondContact O-N 2.86Å; A251-F253 VanDerWaalsContact C-N 3.35Å; A251-F253 PolarHBondContact O-N 2.84Å; F253-E255 VanDerWaalsContact C-N 3.34Å; F253-E255 PolarHBondContact O-N 3.02Å; F253-L256 HydrophobicContact CD2-CD1 4.42Å; F253-L256 PolarHBondContact O-N 3.39Å; F253-L257 HydrophobicContact CD1-CD1 3.5Å; F253-L257 VanDerWaalsContact CD1-CD1 3.5Å; F253-L257 HydrophobicContact CD1-CG 4.18Å; F253-L257 HydrophobicContact CE1-CD1 3.43Å; F253-L257 VanDerWaalsContact CE1-CD1 3.43Å; F253-L257 HydrophobicContact CE1-CD2 4.36Å; F253-L257 HydrophobicContact CE1-CG 4.02Å; F253-L257 HydrophobicContact CG-CD1 4.33Å; F253-L257 HydrophobicContact CZ-CD1 4.17Å; F253-L257 HydrophobicContact CZ-CD2 4.34Å; F253-L257 HydrophobicContact CZ-CG 4.29Å; F253-L257 WeakPolarHBondContact O-CB 3.43Å; F253-L257 VanDerWaalsContact O-CG 3.31Å; F253-L257 WeakPolarHBondContact O-CG 3.32Å; F253-L257 PolarHBondContact O-N 2.88Å; F253-H289 AromaticContact CD1-CD2 3.97Å; F253-H289 AromaticContact CD1-CE1 3.9Å; F253-H289 AromaticContact CD1-NE2 3.69Å |
| 254 | T | 98.6 | Very high | 97.1 | Very high | 26 Ų | 26 | 36.9 Ų | 36.9 | 16% | 0.16 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.7 | -47.2 | 172.6 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | L250 A251 L257 Q258 H267 H289 | L250-T254 VanDerWaalsContact O-CB 3.32Å; L250-T254 WeakPolarHBondContact O-CB 3.48Å; L250-T254 PolarHBondContact O-N 2.82Å; L250-T254 PolarHBondContact O-OG1 3.47Å; A251-T254 WeakPolarHBondContact O-CB 3.49Å; A251-T254 PolarHBondContact O-N 2.79Å; T254-L257 PolarHBondContact O-N 2.83Å; T254-Q258 WeakPolarHBondContact O-CG 3.19Å; T254-Q258 PolarHBondContact O-N 2.78Å; T254-H267 WeakPolarHBondContact CG2-CE1 3.25Å; T254-H289 PolarHBondContact OG1-CE1 3.07Å |
| 255 | E | 98.3 | Very high | 97.3 | Very high | 131 Ų | 131 | 37.6 Ų | 37.6 | 61% | 0.612 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.5 | -44.4 | 177.9 | -70.1 | 175.1 | -176.1 | 0 | 0 | 112.4 | A251 S252 F253 L257 Q258 A259 | A251-E255 PolarHBondContact O-N 2.88Å; A251-E255 VanDerWaalsContact O-N 3.12Å; S252-E255 PolarHBondContact O-N 2.96Å; F253-E255 VanDerWaalsContact C-N 3.34Å; F253-E255 PolarHBondContact O-N 3.02Å; E255-L257 VanDerWaalsContact C-N 3.33Å; E255-L257 PolarHBondContact O-N 2.83Å; E255-Q258 PolarHBondContact O-N 3.33Å; E255-A259 VanDerWaalsContact O-CB 3.26Å; E255-A259 WeakPolarHBondContact O-CB 3.49Å; E255-A259 PolarHBondContact O-N 3.29Å |
| 256 | L | 98.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 177.1 | -75.7 | 173.8 | 0 | 0 | 0 | 112 | R157 L160 S252 F253 A259 A260 | R157-L256 HydrophobicContact CG-CD2 3.67Å; L160-L256 HydrophobicContact CD1-CB 3.7Å; L160-L256 HydrophobicContact CD1-CD1 4.47Å; S252-L256 WeakPolarHBondContact O-CG 3.48Å; S252-L256 PolarHBondContact O-N 2.83Å; F253-L256 HydrophobicContact CD2-CD1 4.42Å; F253-L256 PolarHBondContact O-N 3.39Å; L256-A259 PolarHBondContact O-N 3.28Å; L256-A260 PolarHBondContact O-N 3.27Å |
| 257 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.1 | -47.7 | 179.5 | -73.9 | 169 | 0 | 0 | 0 | 111.8 | L160 L173 I175 F253 T254 E255 A259 A260 F261 H289 L291 | L160-L257 HydrophobicContact CD1-CD2 4.31Å; L160-L257 HydrophobicContact CD2-CD2 3.75Å; L173-L257 HydrophobicContact CD2-CD2 4.24Å; I175-L257 HydrophobicContact CD1-CD2 4.4Å; I175-L257 HydrophobicContact CG2-CD1 3.96Å; I175-L257 HydrophobicContact CG2-CD2 3.61Å; I175-L257 HydrophobicContact CG2-CG 4.45Å; F253-L257 HydrophobicContact CD1-CD1 3.5Å; F253-L257 VanDerWaalsContact CD1-CD1 3.5Å; F253-L257 HydrophobicContact CD1-CG 4.18Å; F253-L257 HydrophobicContact CE1-CD1 3.43Å; F253-L257 VanDerWaalsContact CE1-CD1 3.43Å; F253-L257 HydrophobicContact CE1-CD2 4.36Å; F253-L257 HydrophobicContact CE1-CG 4.02Å; F253-L257 HydrophobicContact CG-CD1 4.33Å; F253-L257 HydrophobicContact CZ-CD1 4.17Å; F253-L257 HydrophobicContact CZ-CD2 4.34Å; F253-L257 HydrophobicContact CZ-CG 4.29Å; F253-L257 WeakPolarHBondContact O-CB 3.43Å; F253-L257 VanDerWaalsContact O-CG 3.31Å; F253-L257 WeakPolarHBondContact O-CG 3.32Å; F253-L257 PolarHBondContact O-N 2.88Å; T254-L257 PolarHBondContact O-N 2.83Å; E255-L257 VanDerWaalsContact C-N 3.33Å; E255-L257 PolarHBondContact O-N 2.83Å; L257-A259 VanDerWaalsContact C-N 3.27Å; L257-A259 PolarHBondContact O-N 3.01Å; L257-A260 WeakPolarHBondContact O-CB 3.48Å; L257-A260 PolarHBondContact O-N 3.15Å; L257-A260 VanDerWaalsContact O-N 3.12Å; L257-F261 WeakPolarHBondContact O-CD2 3.48Å; L257-F261 PolarHBondContact O-N 3.2Å; L257-H289 HydrophobicContact CD1-CB 3.67Å; L257-H289 VanDerWaalsContact CD1-CG 3.48Å; L257-H289 VanDerWaalsContact CD1-ND1 3.31Å; L257-H289 WeakPolarHBondContact CD1-ND1 3.49Å; L257-L291 HydrophobicContact CB-CD1 4.44Å; L257-L291 HydrophobicContact CB-CD2 3.89Å; L257-L291 HydrophobicContact CD1-CD1 4.18Å; L257-L291 HydrophobicContact CD2-CD1 4.43Å |
| 258 | Q | 97.7 | Very high | 97.4 | Very high | 80 Ų | 80 | 47.3 Ų | 47.3 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 177.2 | -70.7 | 176.5 | -7.8 | 0 | 0 | 111.7 | T254 E255 A260 F261 G262 G263 H267 | T254-Q258 WeakPolarHBondContact O-CG 3.19Å; T254-Q258 PolarHBondContact O-N 2.78Å; E255-Q258 PolarHBondContact O-N 3.33Å; Q258-A260 VanDerWaalsContact C-N 3.34Å; Q258-A260 PolarHBondContact O-N 3.12Å; Q258-F261 PolarHBondContact O-N 3.49Å; Q258-G262 PolarHBondContact O-N 2.57Å; Q258-G263 PolarHBondContact O-N 2.99Å; Q258-H267 HydrophobicContact CG-CB 4.43Å; Q258-H267 PolarHBondContact NE2-ND1 2.86Å |
| 259 | A | 97.9 | Very high | 97.5 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 49% | 0.488 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.4 | -35.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E255 L256 L257 F261 G262 | E255-A259 VanDerWaalsContact O-CB 3.26Å; E255-A259 WeakPolarHBondContact O-CB 3.49Å; E255-A259 PolarHBondContact O-N 3.29Å; L256-A259 PolarHBondContact O-N 3.28Å; L257-A259 VanDerWaalsContact C-N 3.27Å; L257-A259 PolarHBondContact O-N 3.01Å; A259-F261 PolarHBondContact O-N 2.9Å; A259-G262 PolarHBondContact O-N 2.77Å |
| 260 | A | 97.8 | Very high | 97.4 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -26.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L160 A164 L256 L257 Q258 | L160-A260 HydrophobicContact CB-CB 3.78Å; A164-A260 HydrophobicContact CB-CB 4.17Å; L256-A260 PolarHBondContact O-N 3.27Å; L257-A260 WeakPolarHBondContact O-CB 3.48Å; L257-A260 PolarHBondContact O-N 3.15Å; L257-A260 VanDerWaalsContact O-N 3.12Å; Q258-A260 VanDerWaalsContact C-N 3.34Å; Q258-A260 PolarHBondContact O-N 3.12Å |
| 261 | F | 97.3 | Very high | 97.3 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 6.1 | 171.7 | -73.3 | -98.3 | 0 | 0 | 0 | 113.3 | A164 V167 L173 L257 Q258 A259 G263 K264 C265 L291 R293 | A164-F261 HydrophobicContact CB-CD2 4.03Å; A164-F261 HydrophobicContact CB-CE1 4.25Å; A164-F261 HydrophobicContact CB-CE2 3.69Å; A164-F261 HydrophobicContact CB-CG 4.45Å; A164-F261 HydrophobicContact CB-CZ 3.81Å; V167-F261 HydrophobicContact CB-CE1 4.33Å; V167-F261 HydrophobicContact CG1-CE1 4.48Å; V167-F261 HydrophobicContact CG2-CE1 4.38Å; V167-F261 HydrophobicContact CG2-CZ 4.13Å; L173-F261 HydrophobicContact CB-CE2 4.38Å; L173-F261 HydrophobicContact CB-CZ 3.87Å; L173-F261 HydrophobicContact CD2-CE2 3.71Å; L173-F261 HydrophobicContact CD2-CZ 3.94Å; L257-F261 WeakPolarHBondContact O-CD2 3.48Å; L257-F261 PolarHBondContact O-N 3.2Å; Q258-F261 PolarHBondContact O-N 3.49Å; A259-F261 PolarHBondContact O-N 2.9Å; F261-G263 PolarHBondContact O-N 2.92Å; F261-K264 PolarHBondContact O-N 3.49Å; F261-C265 HydrophobicContact CB-CB 3.83Å; F261-C265 HydrophobicContact CD1-CB 4Å; F261-C265 HydrophobicContact CD2-CB 4.46Å; F261-C265 HydrophobicContact CG-CB 3.84Å; F261-L291 HydrophobicContact CD2-CD2 3.74Å; F261-L291 HydrophobicContact CE2-CB 4.12Å; F261-L291 HydrophobicContact CE2-CD2 3.73Å; F261-L291 HydrophobicContact CE2-CG 4.45Å; F261-L291 HydrophobicContact CZ-CB 4.22Å; F261-R293 HydrophobicContact CD1-CB 4.19Å; F261-R293 HydrophobicContact CD1-CG 4.4Å; F261-R293 HydrophobicContact CE1-CB 4.04Å |
| 262 | G | 95.6 | Very high | 97.1 | Very high | 63 Ų | 63 | 44 Ų | 44 | 65% | 0.649 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 28.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q258 A259 K264 | Q258-G262 PolarHBondContact O-N 2.57Å; A259-G262 PolarHBondContact O-N 2.77Å; G262-K264 PolarHBondContact O-N 3.39Å |
| 263 | G | 91.4 | Very high | 96.9 | Very high | 57 Ų | 57 | 43.1 Ų | 43.1 | 59% | 0.588 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | -2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q258 F261 C265 | Q258-G263 PolarHBondContact O-N 2.99Å; F261-G263 PolarHBondContact O-N 2.92Å; G263-C265 VanDerWaalsContact C-N 3.33Å; G263-C265 PolarHBondContact O-N 2.73Å |
| 264 | K | 94.8 | Very high | 96.6 | Very high | 107 Ų | 107 | 49.5 Ų | 49.5 | 47% | 0.465 | 29% | 0.287 | S | S | . | . | trans | -94 | 59.6 | -177.1 | -58.1 | -177.4 | -172.9 | -179.2 | 0 | 112.2 | F261 G262 T294 D295 | F261-K264 PolarHBondContact O-N 3.49Å; G262-K264 PolarHBondContact O-N 3.39Å; K264-T294 WeakPolarHBondContact CA-OG1 3.39Å; K264-T294 PolarHBondContact O-N 3.31Å; K264-T294 VanDerWaalsContact O-N 3.12Å; K264-T294 PolarHBondContact O-OG1 2.76Å; K264-T294 VanDerWaalsContact O-OG1 3.07Å; K264-D295 HydrophobicContact CD-CB 3.98Å; K264-D295 WeakPolarHBondContact CD-OD2 3.49Å; K264-D295 IonicContact NZ-OD2 2.75Å; K264-D295 PolarHBondContact NZ-OD2 3.47Å | ||
| 265 | C | 97.3 | Very high | 96.5 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 16% | 0.155 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 152.4 | 176.5 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | F261 G263 K292 | F261-C265 HydrophobicContact CB-CB 3.83Å; F261-C265 HydrophobicContact CD1-CB 4Å; F261-C265 HydrophobicContact CD2-CB 4.46Å; F261-C265 HydrophobicContact CG-CB 3.84Å; G263-C265 VanDerWaalsContact C-N 3.33Å; G263-C265 PolarHBondContact O-N 2.73Å; C265-K292 CarbonylContact C-O 3.59Å; C265-K292 WeakPolarHBondContact CA-O 3.48Å; C265-K292 WeakPolarHBondContact CB-O 3.24Å |
| 266 | Q | 98.1 | Very high | 96.4 | Very high | 123 Ų | 123 | 49.9 Ų | 49.9 | 58% | 0.575 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 128.5 | 159.4 | -63.7 | 172.8 | -6.8 | 0 | 0 | 107.3 | L291 K292 T294 | Q266-L291 CarbonylContact O-C 3.48Å; Q266-L291 VanDerWaalsContact O-CA 3.24Å; Q266-L291 WeakPolarHBondContact O-CA 3.27Å; Q266-K292 HydrophobicContact CB-CB 4.31Å; Q266-K292 PolarHBondContact N-O 3.18Å; Q266-K292 PolarHBondContact O-N 3.29Å; Q266-T294 HydrophobicContact CG-CG2 3.86Å |
| 267 | H | 98.1 | Very high | 96.2 | Very high | 48 Ų | 48 | 56.8 Ų | 56.8 | 22% | 0.222 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.2 | -178 | 173.8 | -129.5 | 0 | 0 | 0 | 110.5 | T254 Q258 V269 H289 L291 | T254-H267 WeakPolarHBondContact CG2-CE1 3.25Å; Q258-H267 HydrophobicContact CG-CB 4.43Å; Q258-H267 PolarHBondContact NE2-ND1 2.86Å; H267-V269 VanDerWaalsContact CE1-CG2 3.41Å; H267-V269 WeakPolarHBondContact CE1-CG2 3.27Å; H267-V269 VanDerWaalsContact NE2-CG2 3.29Å; H267-V269 WeakPolarHBondContact NE2-CG2 3.23Å; H267-H289 AromaticContact CE1-ND1 3.61Å; H267-H289 AromaticContact NE2-CE1 4Å; H267-H289 AromaticContact NE2-CG 3.74Å; H267-H289 AromaticContact NE2-ND1 3.02Å; H267-H289 PolarHBondContact NE2-ND1 2.72Å; H267-L291 HydrophobicContact CB-CG 4.38Å |
| 268 | S | 97.9 | Very high | 96 | Very high | 64 Ų | 64 | 62.2 Ų | 62.2 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 153.8 | 171.3 | 63.2 | 0 | 0 | 0 | 0 | 110.4 | V290 | S268-V290 PolarHBondContact N-O 3.46Å; S268-V290 PolarHBondContact O-N 2.6Å; S268-V290 PolarHBondContact OG-O 3.05Å |
| 269 | V | 98.3 | Very high | 95.7 | Very high | 31 Ų | 31 | 62.3 Ų | 62.3 | 19% | 0.188 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.1 | 179 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | L250 H267 Y276 F287 I288 | L250-V269 HydrophobicContact CD1-CG1 3.95Å; L250-V269 HydrophobicContact CD1-CG2 4.37Å; H267-V269 VanDerWaalsContact CE1-CG2 3.41Å; H267-V269 WeakPolarHBondContact CE1-CG2 3.27Å; H267-V269 VanDerWaalsContact NE2-CG2 3.29Å; H267-V269 WeakPolarHBondContact NE2-CG2 3.23Å; V269-Y276 HydrophobicContact CG1-CD1 4.44Å; V269-F287 HydrophobicContact CG1-CB 4.18Å; V269-F287 HydrophobicContact CG1-CD1 3.92Å; V269-F287 HydrophobicContact CG1-CG 4.44Å; V269-I288 CarbonylContact C-O 3.56Å; V269-I288 WeakPolarHBondContact CA-O 3.27Å |
| 270 | L | 97.9 | Very high | 95.5 | Very high | 23 Ų | 23 | 62.2 Ų | 62.2 | 12% | 0.12 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 149.1 | 172.8 | -59.6 | 150.4 | 0 | 0 | 0 | 108.9 | W48 K274 F287 I288 V290 | W48-L270 HydrophobicContact CH2-CD1 4.27Å; W48-L270 HydrophobicContact CZ2-CD1 3.25Å; L270-K274 CarbonylContact C-O 3.58Å; L270-K274 WeakPolarHBondContact CA-O 3.35Å; L270-K274 WeakPolarHBondContact CB-O 3.39Å; L270-K274 WeakPolarHBondContact CD2-O 3.38Å; L270-F287 WeakPolarHBondContact O-CA 3.4Å; L270-I288 HydrophobicContact CB-CB 4.28Å; L270-I288 PolarHBondContact N-O 3.25Å; L270-I288 PolarHBondContact O-N 3.13Å; L270-V290 HydrophobicContact CD1-CG2 4.05Å |
| 271 | G | 95.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.01 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 115 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | F273 K274 P284 Y286 | G271-F273 VanDerWaalsContact C-N 3.3Å; G271-F273 PolarHBondContact O-N 3.21Å; G271-K274 PolarHBondContact N-O 3.24Å; G271-K274 PolarHBondContact O-N 2.94Å; G271-P284 VanDerWaalsContact CA-CB 3.48Å; G271-Y286 WeakPolarHBondContact CA-O 3.19Å |
| 272 | D | 93.4 | Very high | 94.9 | Very high | 11 Ų | 11 | 71.3 Ų | 71.3 | 6% | 0.059 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 50.8 | -176.5 | -57.7 | -25.7 | 0 | 0 | 0 | 113 | I195 K274 Y282 P284 C285 Y286 | I195-D272 HydrophobicContact CD1-CB 4.17Å; I195-D272 HydrophobicContact CG2-CB 4.08Å; D272-K274 PolarHBondContact O-N 2.89Å; D272-K274 VanDerWaalsContact O-N 3.15Å; D272-Y282 HydrophobicContact CB-CE1 4.27Å; D272-Y282 WeakPolarHBondContact OD2-CE1 3.44Å; D272-Y282 PolarHBondContact OD2-OH 3.12Å; D272-P284 HydrophobicContact CB-CB 4.5Å; D272-P284 VanDerWaalsContact OD2-CA 3.23Å; D272-P284 WeakPolarHBondContact OD2-CA 3.41Å; D272-C285 PolarHBondContact OD1-N 2.63Å; D272-C285 PolarHBondContact OD2-N 3.38Å; D272-Y286 PolarHBondContact N-O 2.83Å; D272-Y286 VanDerWaalsContact N-O 3.08Å; D272-Y286 PolarHBondContact OD1-N 3.24Å |
| 273 | F | 93.3 | Very high | 94.8 | Very high | 22 Ų | 22 | 71.8 Ų | 71.8 | 10% | 0.096 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 12.2 | -178.8 | -51.2 | -72 | 0 | 0 | 0 | 116.3 | Y45 W48 I195 Y196 G271 I288 | Y45-F273 AromaticContact CD1-CE2 3.9Å; Y45-F273 HydrophobicContact CD1-CE2 3.9Å; Y45-F273 AromaticContact CD1-CZ 3.93Å; Y45-F273 HydrophobicContact CD1-CZ 3.93Å; Y45-F273 HydrophobicContact CD2-CZ 4.22Å; Y45-F273 HydrophobicContact CG-CE1 4.16Å; Y45-F273 AromaticContact CG-CE2 3.82Å; Y45-F273 HydrophobicContact CG-CE2 3.82Å; Y45-F273 AromaticContact CG-CZ 3.56Å; Y45-F273 HydrophobicContact CG-CZ 3.56Å; W48-F273 HydrophobicContact CD2-CB 4.45Å; W48-F273 AromaticContact CD2-CD1 3.66Å; W48-F273 HydrophobicContact CD2-CD1 3.66Å; W48-F273 HydrophobicContact CD2-CE1 4.38Å; W48-F273 HydrophobicContact CD2-CG 4.44Å; W48-F273 AromaticContact CE3-CD1 3.33Å; W48-F273 HydrophobicContact CE3-CD1 3.33Å; W48-F273 AromaticContact CE3-CE1 3.6Å; W48-F273 HydrophobicContact CE3-CE1 3.6Å; W48-F273 HydrophobicContact CE3-CG 4.36Å; W48-F273 HydrophobicContact CG-CB 4.31Å; W48-F273 HydrophobicContact CG-CD1 4.31Å; W48-F273 HydrophobicContact CH2-CD1 4.17Å; W48-F273 HydrophobicContact CH2-CE1 4.29Å; W48-F273 HydrophobicContact CZ2-CD1 4.44Å; W48-F273 AromaticContact CZ3-CD1 3.62Å; W48-F273 HydrophobicContact CZ3-CD1 3.62Å; W48-F273 AromaticContact CZ3-CE1 3.55Å; W48-F273 HydrophobicContact CZ3-CE1 3.55Å; I195-F273 HydrophobicContact CB-CE2 4.49Å; I195-F273 HydrophobicContact CD1-CD2 3.9Å; I195-F273 HydrophobicContact CD1-CE2 3.43Å; I195-F273 VanDerWaalsContact CD1-CE2 3.43Å; I195-F273 HydrophobicContact CD1-CZ 4.26Å; I195-F273 HydrophobicContact CG1-CE2 4.05Å; Y196-F273 HydrophobicContact CE1-CE2 4.29Å; Y196-F273 AromaticContact CE1-CZ 3.78Å; Y196-F273 HydrophobicContact CE1-CZ 3.78Å; Y196-F273 AromaticContact CZ-CZ 3.63Å; Y196-F273 VanDerWaalsContact OH-CZ 3.24Å; Y196-F273 WeakPolarHBondContact OH-CZ 3.36Å; G271-F273 VanDerWaalsContact C-N 3.3Å; G271-F273 PolarHBondContact O-N 3.21Å; F273-I288 HydrophobicContact CD1-CD1 4.18Å; F273-I288 HydrophobicContact CD1-CG1 4.08Å; F273-I288 HydrophobicContact CE1-CD1 4.27Å; F273-I288 HydrophobicContact CE1-CG1 3.84Å; F273-I288 HydrophobicContact CG-CD1 4.43Å; F273-I288 HydrophobicContact CZ-CG1 4.34Å |
| 274 | K | 93.3 | Very high | 94.8 | Very high | 133 Ų | 133 | 69.2 Ų | 69.2 | 58% | 0.578 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 152.8 | 173.1 | -62.6 | 175.3 | -174.1 | 171.8 | 0 | 110.7 | L270 G271 D272 Y276 | L270-K274 CarbonylContact C-O 3.58Å; L270-K274 WeakPolarHBondContact CA-O 3.35Å; L270-K274 WeakPolarHBondContact CB-O 3.39Å; L270-K274 WeakPolarHBondContact CD2-O 3.38Å; G271-K274 PolarHBondContact N-O 3.24Å; G271-K274 PolarHBondContact O-N 2.94Å; D272-K274 PolarHBondContact O-N 2.89Å; D272-K274 VanDerWaalsContact O-N 3.15Å; K274-Y276 PolarHBondContact O-N 3.35Å |
| 275 | P | 95.6 | Very high | 94.7 | Very high | 107 Ų | 107 | 64.3 Ų | 64.3 | 70% | 0.695 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -51.3 | 127.3 | 175 | -27.4 | 35.6 | 0 | 0 | 0 | 111.7 | ||
| 276 | Y | 96.3 | Very high | 94.6 | Very high | 59 Ų | 59 | 63.5 Ų | 63.5 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | trans | -97.6 | 135.6 | 178.6 | 179.2 | -109.8 | 0 | 0 | 0 | 111.1 | L250 V269 K274 P278 Q280 P284 F287 | L250-Y276 HydrophobicContact CD2-CD1 4.24Å; L250-Y276 HydrophobicContact CD2-CE1 3.48Å; L250-Y276 VanDerWaalsContact CD2-CE1 3.48Å; V269-Y276 HydrophobicContact CG1-CD1 4.44Å; K274-Y276 PolarHBondContact O-N 3.35Å; Y276-P278 HydrophobicContact CE1-CG 4.32Å; Y276-Q280 HydrophobicContact CD2-CG 4.28Å; Y276-Q280 HydrophobicContact CE2-CG 4.11Å; Y276-P284 HydrophobicContact CD2-CG 4.31Å; Y276-P284 HydrophobicContact CE2-CG 4.3Å; Y276-F287 HydrophobicContact CD1-CE1 4.1Å; Y276-F287 AromaticContact CD2-CE1 3.81Å; Y276-F287 HydrophobicContact CD2-CE1 3.81Å; Y276-F287 AromaticContact CE1-CE1 3.87Å; Y276-F287 HydrophobicContact CE1-CE1 3.87Å; Y276-F287 HydrophobicContact CE1-CZ 4.49Å; Y276-F287 AromaticContact CE2-CE1 3.58Å; Y276-F287 HydrophobicContact CE2-CE1 3.58Å; Y276-F287 HydrophobicContact CE2-CZ 4.15Å; Y276-F287 HydrophobicContact CG-CE1 4.07Å; Y276-F287 AromaticContact CZ-CE1 3.59Å; Y276-F287 AromaticContact CZ-CZ 3.97Å | ||
| 277 | K | 95.3 | Very high | 94.6 | Very high | 151 Ų | 151 | 57.8 Ų | 57.8 | 66% | 0.657 | 34% | 0.335 | S | S | * | . | trans | -128.2 | 130.7 | 168.5 | -66.8 | -176.6 | -179.4 | -179.6 | 0 | 109.8 | G279 Q280 | K277-G279 PolarHBondContact O-N 2.92Å; K277-Q280 VanDerWaalsContact O-CB 3.3Å; K277-Q280 WeakPolarHBondContact O-CB 3.48Å; K277-Q280 WeakPolarHBondContact O-CG 3.48Å; K277-Q280 PolarHBondContact O-N 3.34Å; K277-Q280 VanDerWaalsContact O-N 3.11Å | ||
| 278 | P | 93.3 | Very high | 94.6 | Very high | 114 Ų | 114 | 55.5 Ų | 55.5 | 74% | 0.74 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 134.3 | 172.7 | -26.5 | 35 | 0 | 0 | 0 | 111.5 | Y276 Q280 | Y276-P278 HydrophobicContact CE1-CG 4.32Å; P278-Q280 VanDerWaalsContact C-N 3.34Å |
| 279 | G | 90.8 | Very high | 94.7 | Very high | 83 Ų | 83 | 52.5 Ų | 52.5 | 86% | 0.856 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | K277 | K277-G279 PolarHBondContact O-N 2.92Š|
| 280 | Q | 93.5 | Very high | 94.7 | Very high | 56 Ų | 56 | 51.6 Ų | 51.6 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | trans | -62.3 | 148.8 | 172.3 | 69.4 | -179.7 | 35.5 | 0 | 0 | 111.7 | Y276 K277 P278 Y282 | Y276-Q280 HydrophobicContact CD2-CG 4.28Å; Y276-Q280 HydrophobicContact CE2-CG 4.11Å; K277-Q280 VanDerWaalsContact O-CB 3.3Å; K277-Q280 WeakPolarHBondContact O-CB 3.48Å; K277-Q280 WeakPolarHBondContact O-CG 3.48Å; K277-Q280 PolarHBondContact O-N 3.34Å; K277-Q280 VanDerWaalsContact O-N 3.11Å; P278-Q280 VanDerWaalsContact C-N 3.34Å; Q280-Y282 VanDerWaalsContact C-N 3.31Å; Q280-Y282 WeakPolarHBondContact CG-O 3.43Å; Q280-Y282 PolarHBondContact NE2-O 3.43Å; Q280-Y282 PolarHBondContact O-N 3.48Å | ||
| 281 | A | 92.2 | Very high | 94.7 | Very high | 107 Ų | 107 | 50.5 Ų | 50.5 | 88% | 0.884 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -66.2 | -31.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V283 | A281-V283 PolarHBondContact O-N 2.87Š|
| 282 | Y | 91.9 | Very high | 94.8 | Very high | 114 Ų | 114 | 53.7 Ų | 53.7 | 45% | 0.447 | 31% | 0.305 | S | S | . | . | trans | -79.3 | 116.5 | 179.1 | 179.2 | -100.6 | 0 | 0 | 0 | 111 | D272 Q280 P284 | D272-Y282 HydrophobicContact CB-CE1 4.27Å; D272-Y282 WeakPolarHBondContact OD2-CE1 3.44Å; D272-Y282 PolarHBondContact OD2-OH 3.12Å; Q280-Y282 VanDerWaalsContact C-N 3.31Å; Q280-Y282 WeakPolarHBondContact CG-O 3.43Å; Q280-Y282 PolarHBondContact NE2-O 3.43Å; Q280-Y282 PolarHBondContact O-N 3.48Å; Y282-P284 HydrophobicContact CD1-CB 4.48Å; Y282-P284 HydrophobicContact CE1-CB 4.02Å; Y282-P284 WeakPolarHBondContact O-CD 3.14Å | ||
| 283 | V | 91.9 | Very high | 95 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | trans | -87.8 | 112.1 | 174.6 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | N179 H182 A281 | N179-V283 WeakPolarHBondContact ND2-CG1 3.43Å; H182-V283 HydrophobicContact CB-CG1 4.25Å; A281-V283 PolarHBondContact O-N 2.87Å | ||
| 284 | P | 93.1 | Very high | 95 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.013 | 33% | 0.33 | C | S | . | . | trans | -73.9 | 151.4 | -179 | 31.4 | -35.1 | 0 | 0 | 0 | 111.6 | N179 G271 D272 Y276 Y282 F287 | N179-P284 WeakPolarHBondContact CB-O 3.44Å; N179-P284 PolarHBondContact ND2-O 3.43Å; G271-P284 VanDerWaalsContact CA-CB 3.48Å; D272-P284 HydrophobicContact CB-CB 4.5Å; D272-P284 VanDerWaalsContact OD2-CA 3.23Å; D272-P284 WeakPolarHBondContact OD2-CA 3.41Å; Y276-P284 HydrophobicContact CD2-CG 4.31Å; Y276-P284 HydrophobicContact CE2-CG 4.3Å; Y282-P284 HydrophobicContact CD1-CB 4.48Å; Y282-P284 HydrophobicContact CE1-CB 4.02Å; Y282-P284 WeakPolarHBondContact O-CD 3.14Å; P284-F287 HydrophobicContact CG-CD1 4.07Å; P284-F287 HydrophobicContact CG-CE1 3.49Å; P284-F287 VanDerWaalsContact CG-CE1 3.49Å; P284-F287 HydrophobicContact CG-CZ 3.85Å | ||
| 285 | C | 92.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.034 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -73.8 | -34.9 | 171 | -74.2 | 0 | 0 | 0 | 0 | 111.5 | R178 N179 D272 | R178-C285 VanDerWaalsContact CG-O 3.32Å; R178-C285 WeakPolarHBondContact CG-O 3.42Å; N179-C285 PolarHBondContact N-O 3.16Å; D272-C285 PolarHBondContact OD1-N 2.63Å; D272-C285 PolarHBondContact OD2-N 3.38Å |
| 286 | Y | 94.9 | Very high | 94.1 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 143.1 | -176.6 | -67.3 | -97.8 | 0 | 0 | 0 | 111.5 | N141 H177 R178 N194 I195 Y196 G271 D272 | N141-Y286 HydrophobicContact CB-CD1 4.21Å; N141-Y286 HydrophobicContact CB-CE1 3.63Å; H177-Y286 WeakPolarHBondContact O-CA 3.18Å; R178-Y286 HydrophobicContact CB-CE1 4.43Å; R178-Y286 HydrophobicContact CG-CE1 4.43Å; N194-Y286 PolarHBondContact ND2-OH 3.41Å; N194-Y286 VanDerWaalsContact OD1-CE2 3.29Å; N194-Y286 WeakPolarHBondContact OD1-CE2 3.09Å; N194-Y286 PolarHBondContact OD1-OH 3.04Å; I195-Y286 HydrophobicContact CD1-CD2 3.67Å; I195-Y286 HydrophobicContact CD1-CG 4.02Å; I195-Y286 HydrophobicContact CG1-CD2 3.7Å; I195-Y286 HydrophobicContact CG1-CE2 4.11Å; I195-Y286 HydrophobicContact CG1-CG 4.41Å; Y196-Y286 AromaticContact CD2-CD1 3.84Å; Y196-Y286 HydrophobicContact CD2-CD1 3.84Å; Y196-Y286 HydrophobicContact CD2-CD2 4Å; Y196-Y286 AromaticContact CD2-CE1 3.59Å; Y196-Y286 HydrophobicContact CD2-CE1 3.59Å; Y196-Y286 AromaticContact CD2-CE2 3.82Å; Y196-Y286 HydrophobicContact CD2-CE2 3.82Å; Y196-Y286 HydrophobicContact CD2-CG 4.04Å; Y196-Y286 AromaticContact CD2-CZ 3.61Å; Y196-Y286 AromaticContact CE2-CD1 3.64Å; Y196-Y286 HydrophobicContact CE2-CD1 3.64Å; Y196-Y286 HydrophobicContact CE2-CD2 4.19Å; Y196-Y286 AromaticContact CE2-CE1 3.86Å; Y196-Y286 HydrophobicContact CE2-CE1 3.86Å; Y196-Y286 HydrophobicContact CE2-CE2 4.43Å; Y196-Y286 AromaticContact CE2-CG 3.82Å; Y196-Y286 HydrophobicContact CE2-CG 3.82Å; G271-Y286 WeakPolarHBondContact CA-O 3.19Å; D272-Y286 PolarHBondContact N-O 2.83Å; D272-Y286 VanDerWaalsContact N-O 3.08Å; D272-Y286 PolarHBondContact OD1-N 3.24Å |
| 287 | F | 97.8 | Very high | 94 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.8 | 164.8 | -69.2 | -62.9 | 0 | 0 | 0 | 109.1 | D176 H177 N179 L250 V269 L270 Y276 P284 | D176-F287 WeakPolarHBondContact CA-O 3.42Å; D176-F287 VanDerWaalsContact CB-O 3.23Å; D176-F287 WeakPolarHBondContact CB-O 3.5Å; H177-F287 AromaticContact CE1-CD2 3.7Å; H177-F287 PolarHBondContact N-O 2.75Å; H177-F287 PolarHBondContact O-N 2.94Å; N179-F287 HydrophobicContact CB-CD2 4.28Å; N179-F287 HydrophobicContact CB-CE2 3.92Å; N179-F287 VanDerWaalsContact CG-CE2 3.49Å; N179-F287 WeakPolarHBondContact OD1-CE2 3.31Å; L250-F287 HydrophobicContact CB-CD2 4.14Å; L250-F287 HydrophobicContact CB-CE2 4Å; L250-F287 HydrophobicContact CB-CZ 4.48Å; L250-F287 HydrophobicContact CD1-CB 4.15Å; L250-F287 HydrophobicContact CD1-CD1 4.08Å; L250-F287 HydrophobicContact CD1-CD2 4.11Å; L250-F287 HydrophobicContact CD1-CG 3.86Å; L250-F287 HydrophobicContact CD2-CD1 4.22Å; L250-F287 HydrophobicContact CD2-CE1 3.86Å; L250-F287 HydrophobicContact CD2-CE2 4.18Å; L250-F287 HydrophobicContact CD2-CZ 3.84Å; L250-F287 HydrophobicContact CG-CD2 4.48Å; L250-F287 HydrophobicContact CG-CE2 4.46Å; V269-F287 HydrophobicContact CG1-CB 4.18Å; V269-F287 HydrophobicContact CG1-CD1 3.92Å; V269-F287 HydrophobicContact CG1-CG 4.44Å; L270-F287 WeakPolarHBondContact O-CA 3.4Å; Y276-F287 HydrophobicContact CD1-CE1 4.1Å; Y276-F287 AromaticContact CD2-CE1 3.81Å; Y276-F287 HydrophobicContact CD2-CE1 3.81Å; Y276-F287 AromaticContact CE1-CE1 3.87Å; Y276-F287 HydrophobicContact CE1-CE1 3.87Å; Y276-F287 HydrophobicContact CE1-CZ 4.49Å; Y276-F287 AromaticContact CE2-CE1 3.58Å; Y276-F287 HydrophobicContact CE2-CE1 3.58Å; Y276-F287 HydrophobicContact CE2-CZ 4.15Å; Y276-F287 HydrophobicContact CG-CE1 4.07Å; Y276-F287 AromaticContact CZ-CE1 3.59Å; Y276-F287 AromaticContact CZ-CZ 3.97Å; P284-F287 HydrophobicContact CG-CD1 4.07Å; P284-F287 HydrophobicContact CG-CE1 3.49Å; P284-F287 VanDerWaalsContact CG-CE1 3.49Å; P284-F287 HydrophobicContact CG-CZ 3.85Å |
| 288 | I | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 117.1 | 177.4 | -54.5 | 84.2 | 0 | 0 | 0 | 107.6 | W48 V174 D176 V269 L270 F273 | W48-I288 HydrophobicContact CH2-CG2 3.84Å; W48-I288 HydrophobicContact CZ2-CG2 4.42Å; V174-I288 HydrophobicContact CG1-CG2 3.77Å; D176-I288 HydrophobicContact CB-CB 4.42Å; D176-I288 HydrophobicContact CB-CG1 4.07Å; V269-I288 CarbonylContact C-O 3.56Å; V269-I288 WeakPolarHBondContact CA-O 3.27Å; L270-I288 HydrophobicContact CB-CB 4.28Å; L270-I288 PolarHBondContact N-O 3.25Å; L270-I288 PolarHBondContact O-N 3.13Å; F273-I288 HydrophobicContact CD1-CD1 4.18Å; F273-I288 HydrophobicContact CD1-CG1 4.08Å; F273-I288 HydrophobicContact CE1-CD1 4.27Å; F273-I288 HydrophobicContact CE1-CG1 3.84Å; F273-I288 HydrophobicContact CG-CD1 4.43Å; F273-I288 HydrophobicContact CZ-CG1 4.34Å |
| 289 | H | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 125 | 177.5 | -62.9 | -116.6 | 0 | 0 | 0 | 108.7 | V174 I175 H177 F253 T254 L257 H267 L291 | V174-H289 WeakPolarHBondContact CA-O 3.45Å; I175-H289 HydrophobicContact CG2-CB 4.06Å; I175-H289 PolarHBondContact N-O 2.84Å; I175-H289 WeakPolarHBondContact O-CA 3.47Å; I175-H289 WeakPolarHBondContact O-CB 3.39Å; I175-H289 PolarHBondContact O-N 3.09Å; H177-H289 AromaticContact CD2-CD2 3.88Å; H177-H289 AromaticContact CD2-NE2 3.46Å; H177-H289 PolarHBondContact CD2-NE2 2.62Å; H177-H289 AromaticContact NE2-NE2 3.17Å; H177-H289 PolarHBondContact NE2-NE2 3.38Å; H177-H289 VanDerWaalsContact NE2-NE2 3.17Å; F253-H289 AromaticContact CD1-CD2 3.97Å; F253-H289 AromaticContact CD1-CE1 3.9Å; F253-H289 AromaticContact CD1-NE2 3.69Å; T254-H289 PolarHBondContact OG1-CE1 3.07Å; L257-H289 HydrophobicContact CD1-CB 3.67Å; L257-H289 VanDerWaalsContact CD1-CG 3.48Å; L257-H289 VanDerWaalsContact CD1-ND1 3.31Å; L257-H289 WeakPolarHBondContact CD1-ND1 3.49Å; H267-H289 AromaticContact CE1-ND1 3.61Å; H267-H289 AromaticContact NE2-CE1 4Å; H267-H289 AromaticContact NE2-CG 3.74Å; H267-H289 AromaticContact NE2-ND1 3.02Å; H267-H289 PolarHBondContact NE2-ND1 2.72Å; H289-L291 HydrophobicContact CB-CD1 3.84Å |
| 290 | V | 98.7 | Very high | 94.1 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 117.3 | 171.3 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | W48 L52 L172 L173 V174 S268 L270 | W48-V290 HydrophobicContact CH2-CG2 4.13Å; W48-V290 HydrophobicContact CZ2-CG2 3.8Å; L52-V290 HydrophobicContact CD1-CG1 4.32Å; L52-V290 HydrophobicContact CD2-CG1 4.01Å; L52-V290 HydrophobicContact CD2-CG2 4.1Å; L172-V290 HydrophobicContact CD2-CG1 4.44Å; L173-V290 WeakPolarHBondContact O-CA 3.45Å; V174-V290 HydrophobicContact CG1-CG2 4.47Å; S268-V290 PolarHBondContact N-O 3.46Å; S268-V290 PolarHBondContact O-N 2.6Å; S268-V290 PolarHBondContact OG-O 3.05Å; L270-V290 HydrophobicContact CD1-CG2 4.05Å |
| 291 | L | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 133.6 | 177.4 | -63 | 89.9 | 0 | 0 | 0 | 109.3 | L172 L173 I175 L257 F261 Q266 H267 H289 | L172-L291 CarbonylContact C-O 3.5Å; L172-L291 VanDerWaalsContact CA-O 3.3Å; L172-L291 WeakPolarHBondContact CA-O 3.4Å; L173-L291 HydrophobicContact CB-CB 4.29Å; L173-L291 HydrophobicContact CD2-CD1 4.34Å; L173-L291 PolarHBondContact N-O 3.47Å; L173-L291 PolarHBondContact O-N 3.37Å; I175-L291 HydrophobicContact CG2-CD1 4.28Å; L257-L291 HydrophobicContact CB-CD1 4.44Å; L257-L291 HydrophobicContact CB-CD2 3.89Å; L257-L291 HydrophobicContact CD1-CD1 4.18Å; L257-L291 HydrophobicContact CD2-CD1 4.43Å; F261-L291 HydrophobicContact CD2-CD2 3.74Å; F261-L291 HydrophobicContact CE2-CB 4.12Å; F261-L291 HydrophobicContact CE2-CD2 3.73Å; F261-L291 HydrophobicContact CE2-CG 4.45Å; F261-L291 HydrophobicContact CZ-CB 4.22Å; Q266-L291 CarbonylContact O-C 3.48Å; Q266-L291 VanDerWaalsContact O-CA 3.24Å; Q266-L291 WeakPolarHBondContact O-CA 3.27Å; H267-L291 HydrophobicContact CB-CG 4.38Å; H289-L291 HydrophobicContact CB-CD1 3.84Å |
| 292 | K | 98.4 | Very high | 94.3 | Very high | 68 Ų | 68 | 37.1 Ų | 37.1 | 30% | 0.296 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121.9 | 170.9 | -176.5 | 176.6 | -178.6 | 176.7 | 0 | 109.3 | G170 G171 L172 C265 Q266 | G170-K292 WeakPolarHBondContact O-CE 3.39Å; G171-K292 WeakPolarHBondContact O-CA 3.46Å; L172-K292 HydrophobicContact CD2-CB 3.76Å; L172-K292 HydrophobicContact CD2-CD 4.4Å; L172-K292 HydrophobicContact CD2-CG 3.99Å; C265-K292 CarbonylContact C-O 3.59Å; C265-K292 WeakPolarHBondContact CA-O 3.48Å; C265-K292 WeakPolarHBondContact CB-O 3.24Å; Q266-K292 HydrophobicContact CB-CB 4.31Å; Q266-K292 PolarHBondContact N-O 3.18Å; Q266-K292 PolarHBondContact O-N 3.29Å |
| 293 | R | 96.8 | Very high | 94.5 | Very high | 46 Ų | 46 | 31.2 Ų | 31.2 | 17% | 0.174 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 134.5 | 175.5 | -177.8 | 166.3 | -77.6 | -176.3 | -5.9 | 110 | A164 V167 G170 G171 F261 D295 | A164-R293 VanDerWaalsContact C-NH2 3.32Å; A164-R293 VanDerWaalsContact O-CZ 3.28Å; A164-R293 PolarHBondContact O-NH2 3.18Å; V167-R293 HydrophobicContact CG1-CB 4.24Å; V167-R293 PolarHBondContact O-NH1 3.49Å; G170-R293 WeakPolarHBondContact CA-O 3.48Å; G170-R293 PolarHBondContact N-O 3.38Å; G171-R293 PolarHBondContact O-N 3Å; F261-R293 HydrophobicContact CD1-CB 4.19Å; F261-R293 HydrophobicContact CD1-CG 4.4Å; F261-R293 HydrophobicContact CE1-CB 4.04Å; R293-D295 WeakPolarHBondContact CG-O 3.11Å; R293-D295 WeakPolarHBondContact CG-OD1 3.47Å |
| 294 | T | 93.1 | Very high | 94.7 | Very high | 82 Ų | 82 | 27.6 Ų | 27.6 | 50% | 0.503 | 14% | 0.142 | S | C | . | . | trans | -103.8 | -10.7 | -175.4 | 53.5 | 0 | 0 | 0 | 0 | 114.9 | K264 Q266 | K264-T294 WeakPolarHBondContact CA-OG1 3.39Å; K264-T294 PolarHBondContact O-N 3.31Å; K264-T294 VanDerWaalsContact O-N 3.12Å; K264-T294 PolarHBondContact O-OG1 2.76Å; K264-T294 VanDerWaalsContact O-OG1 3.07Å; Q266-T294 HydrophobicContact CG-CG2 3.86Å | ||
| 295 | D | 75.8 | Confident | 94.9 | Very high | 106 Ų | 106 | 29.9 Ų | 29.9 | 57% | 0.567 | 15% | 0.153 | S | C | * | . | trans | -113.6 | 0 | 176.7 | 64.9 | -31.9 | 0 | 0 | 0 | 112.9 | A169 K264 R293 | A169-D295 WeakPolarHBondContact CA-O 3.49Å; A169-D295 WeakPolarHBondContact CB-O 3.48Å; A169-D295 WeakPolarHBondContact CB-OXT 2.92Å; K264-D295 HydrophobicContact CD-CB 3.98Å; K264-D295 WeakPolarHBondContact CD-OD2 3.49Å; K264-D295 IonicContact NZ-OD2 2.75Å; K264-D295 PolarHBondContact NZ-OD2 3.47Å; R293-D295 WeakPolarHBondContact CG-O 3.11Å; R293-D295 WeakPolarHBondContact CG-OD1 3.47Å |
Retrieved 295 of 295 residues in 118.4 ms
(Link to these results)