| 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 | 51.9 | Low | 84.1 | Confident | 235 Ų | 235 | 99.9 Ų | 99.9 | 100% | 1.158 | 47% | 0.471 | S | S | * | . | 0 | 107.4 | 0 | -154.7 | -178.5 | -149.1 | 0 | 0 | 108.3 | R3 | M1-R3 PolarHBondContact O-N 3.36Š| |||
| 2 | F | 51.5 | Low | 85.1 | Confident | 209 Ų | 209 | 100.3 Ų | 100.3 | 92% | 0.917 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 129.7 | 179.4 | -71.4 | -85.1 | 0 | 0 | 0 | 109.9 | T4 | F2-T4 PolarHBondContact O-N 3.14Š|
| 3 | R | 74.8 | Confident | 85.9 | Confident | 192 Ų | 192 | 92.5 Ų | 92.5 | 73% | 0.725 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 124.7 | 178.8 | -76.9 | 168.7 | 163.2 | 177.4 | 1.4 | 109.2 | M1 | M1-R3 PolarHBondContact O-N 3.36Š|
| 4 | T | 89.4 | Confident | 86.4 | Confident | 88 Ų | 88 | 89.4 Ų | 89.4 | 54% | 0.54 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -68 | 148 | 175.2 | 63 | 0 | 0 | 0 | 0 | 110.7 | F2 R6 S7 A8 | F2-T4 PolarHBondContact O-N 3.14Å; T4-R6 VanDerWaalsContact C-N 3.28Å; T4-R6 PolarHBondContact O-N 3.24Å; T4-S7 PolarHBondContact N-OG 3.24Å; T4-S7 WeakPolarHBondContact O-CB 3Å; T4-S7 PolarHBondContact O-N 2.86Å; T4-S7 PolarHBondContact O-OG 3.45Å; T4-S7 WeakPolarHBondContact OG1-CB 3.42Å; T4-S7 PolarHBondContact OG1-N 2.99Å; T4-S7 PolarHBondContact OG1-OG 2.76Å; T4-A8 PolarHBondContact O-N 3.31Å |
| 5 | K | 92.8 | Very high | 86.9 | Confident | 114 Ų | 114 | 94.4 Ų | 94.4 | 50% | 0.496 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -50.9 | -47.8 | 176.4 | -177.6 | -179.7 | 174.4 | -167.6 | 0 | 111.6 | S7 A8 L9 E109 | K5-S7 PolarHBondContact O-N 3.11Å; K5-A8 WeakPolarHBondContact O-CB 3.29Å; K5-A8 PolarHBondContact O-N 2.94Å; K5-L9 PolarHBondContact O-N 3.35Å; K5-L9 VanDerWaalsContact O-N 3.08Å; K5-E109 WeakPolarHBondContact CE-OE1 3.31Å; K5-E109 IonicContact NZ-OE1 2.66Å; K5-E109 PolarHBondContact NZ-OE1 3.35Å |
| 6 | R | 93.9 | Very high | 87.3 | Confident | 65 Ų | 65 | 90.8 Ų | 90.8 | 25% | 0.245 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -49 | -50.4 | 171.1 | -176 | 177.6 | -169.2 | 71.9 | 2.7 | 114.1 | T4 A8 L9 V10 L100 K101 L103 E105 L108 | T4-R6 VanDerWaalsContact C-N 3.28Å; T4-R6 PolarHBondContact O-N 3.24Å; R6-A8 PolarHBondContact O-N 3.38Å; R6-L9 PolarHBondContact O-N 3.43Å; R6-V10 PolarHBondContact O-N 3.2Å; R6-V10 VanDerWaalsContact O-N 3.09Å; R6-L100 PolarHBondContact NH2-O 3.11Å; R6-K101 PolarHBondContact NH2-O 3.2Å; R6-L103 PolarHBondContact NH1-O 3.45Å; R6-L103 PolarHBondContact NH2-O 3.27Å; R6-E105 HydrophobicContact CB-CG 4.47Å; R6-E105 PolarHBondContact N-OE1 2.83Å; R6-L108 HydrophobicContact CG-CD1 4.07Å; R6-L108 VanDerWaalsContact NH1-CD1 3.33Å |
| 7 | S | 92.4 | Very high | 87.6 | Confident | 39 Ų | 39 | 90.8 Ų | 90.8 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.6 | -27.6 | -179.4 | 76.4 | 0 | 0 | 0 | 0 | 112.7 | T4 K5 R11 | T4-S7 PolarHBondContact N-OG 3.24Å; T4-S7 WeakPolarHBondContact O-CB 3Å; T4-S7 PolarHBondContact O-N 2.86Å; T4-S7 PolarHBondContact O-OG 3.45Å; T4-S7 WeakPolarHBondContact OG1-CB 3.42Å; T4-S7 PolarHBondContact OG1-N 2.99Å; T4-S7 PolarHBondContact OG1-OG 2.76Å; K5-S7 PolarHBondContact O-N 3.11Å; S7-R11 WeakPolarHBondContact O-CG 3.46Å; S7-R11 PolarHBondContact O-N 2.64Å; S7-R11 PolarHBondContact O-NE 3.42Å |
| 8 | A | 94.3 | Very high | 87.7 | Confident | 34 Ų | 34 | 86.6 Ų | 86.6 | 28% | 0.281 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -74.2 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T4 K5 R6 R11 R12 | T4-A8 PolarHBondContact O-N 3.31Å; K5-A8 WeakPolarHBondContact O-CB 3.29Å; K5-A8 PolarHBondContact O-N 2.94Å; R6-A8 PolarHBondContact O-N 3.38Å; A8-R11 PolarHBondContact O-N 2.89Å; A8-R12 WeakPolarHBondContact O-CG 3.36Å; A8-R12 PolarHBondContact O-N 3.49Å |
| 9 | L | 96.1 | Very high | 87.2 | Confident | 14 Ų | 14 | 87.8 Ų | 87.8 | 7% | 0.073 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.4 | -49.7 | 177.2 | -67.3 | 172.1 | 0 | 0 | 0 | 111.9 | K5 R6 R11 R12 L13 L108 E109 L112 | K5-L9 PolarHBondContact O-N 3.35Å; K5-L9 VanDerWaalsContact O-N 3.08Å; R6-L9 PolarHBondContact O-N 3.43Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 2.96Å; L9-R12 PolarHBondContact O-N 3.49Å; L9-R12 VanDerWaalsContact O-N 3.16Å; L9-L13 PolarHBondContact O-N 3.17Å; L9-L108 HydrophobicContact CB-CB 4.2Å; L9-L108 HydrophobicContact CD1-CB 3.94Å; L9-E109 HydrophobicContact CD1-CG 3.9Å; L9-E109 HydrophobicContact CD2-CG 4.16Å; L9-L112 HydrophobicContact CD2-CD2 3.56Å |
| 10 | V | 94.8 | Very high | 85.7 | Confident | 28 Ų | 28 | 84.9 Ų | 84.9 | 17% | 0.17 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 180 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | R6 R12 L13 W14 L100 L108 | R6-V10 PolarHBondContact O-N 3.2Å; R6-V10 VanDerWaalsContact O-N 3.09Å; V10-R12 PolarHBondContact O-N 3.3Å; V10-L13 PolarHBondContact O-N 3.37Å; V10-W14 WeakPolarHBondContact O-CB 3.21Å; V10-W14 PolarHBondContact O-N 3.07Å; V10-L100 HydrophobicContact CG1-CD1 4.21Å; V10-L108 HydrophobicContact CG2-CD1 4.08Å; V10-L108 HydrophobicContact CG2-CD2 4.29Å |
| 11 | R | 93.5 | Very high | 83.9 | Confident | 81 Ų | 81 | 85.1 Ų | 85.1 | 31% | 0.306 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65 | -37.4 | 176.3 | -77.7 | -177.2 | -65.1 | 122.8 | 1.1 | 112.9 | S7 A8 L9 R15 | S7-R11 WeakPolarHBondContact O-CG 3.46Å; S7-R11 PolarHBondContact O-N 2.64Å; S7-R11 PolarHBondContact O-NE 3.42Å; A8-R11 PolarHBondContact O-N 2.89Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 2.96Å; R11-R15 WeakPolarHBondContact O-CG 3.3Å; R11-R15 PolarHBondContact O-N 3.28Å; R11-R15 PolarHBondContact O-NH1 2.82Å |
| 12 | R | 95.6 | Very high | 83.3 | Confident | 104 Ų | 104 | 82.1 Ų | 82.1 | 39% | 0.392 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.8 | -48.4 | 175.4 | -76.6 | 177.2 | 66.4 | -176 | 0.8 | 110.9 | A8 L9 V10 W14 R15 S16 L112 E116 | A8-R12 WeakPolarHBondContact O-CG 3.36Å; A8-R12 PolarHBondContact O-N 3.49Å; L9-R12 PolarHBondContact O-N 3.49Å; L9-R12 VanDerWaalsContact O-N 3.16Å; V10-R12 PolarHBondContact O-N 3.3Å; R12-W14 VanDerWaalsContact C-N 3.26Å; R12-W14 PolarHBondContact O-N 2.56Å; R12-R15 VanDerWaalsContact CG-NH2 3.26Å; R12-R15 PolarHBondContact O-N 3.4Å; R12-R15 VanDerWaalsContact O-N 3.08Å; R12-S16 PolarHBondContact O-N 3.17Å; R12-S16 VanDerWaalsContact O-N 3.15Å; R12-S16 PolarHBondContact O-OG 2.81Å; R12-L112 HydrophobicContact CB-CD1 3.72Å; R12-L112 HydrophobicContact CB-CD2 4Å; R12-E116 IonicContact CZ-OE1 3.72Å; R12-E116 IonicContact CZ-OE2 3.11Å; R12-E116 IonicContact NE-OE1 3.46Å; R12-E116 PolarHBondContact NE-OE1 3.07Å; R12-E116 VanDerWaalsContact NE-OE1 3.11Å; R12-E116 IonicContact NH2-OE1 2.69Å; R12-E116 PolarHBondContact NH2-OE1 3.3Å; R12-E116 IonicContact NH2-OE2 3.34Å; R12-E116 PolarHBondContact NH2-OE2 3.42Å |
| 13 | L | 95.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -51.7 | -48.1 | 173.9 | -78.9 | 167.6 | 0 | 0 | 0 | 111 | L9 V10 R15 S16 R17 L100 L108 L111 L112 V115 F163 | L9-L13 PolarHBondContact O-N 3.17Å; V10-L13 PolarHBondContact O-N 3.37Å; L13-R15 VanDerWaalsContact C-N 3.27Å; L13-R15 PolarHBondContact O-N 3.2Å; L13-S16 CarbonylContact O-C 3.53Å; L13-S16 PolarHBondContact O-N 3.04Å; L13-R17 PolarHBondContact O-N 2.96Å; L13-L100 HydrophobicContact CD1-CD2 4.01Å; L13-L108 HydrophobicContact CD1-CD2 3.73Å; L13-L111 HydrophobicContact CD1-CD2 4.13Å; L13-L111 HydrophobicContact CD1-CG 4.49Å; L13-L111 HydrophobicContact CD2-CB 4.3Å; L13-L111 HydrophobicContact CD2-CD2 4.07Å; L13-L111 HydrophobicContact CD2-CG 3.74Å; L13-L112 HydrophobicContact CD2-CB 3.92Å; L13-L112 HydrophobicContact CD2-CD1 3.91Å; L13-L112 HydrophobicContact CG-CB 4.12Å; L13-L112 HydrophobicContact CG-CD1 3.9Å; L13-V115 HydrophobicContact CD2-CG2 4.38Å; L13-F163 HydrophobicContact CB-CE1 4.33Å; L13-F163 HydrophobicContact CB-CZ 4.34Å; L13-F163 HydrophobicContact CD2-CE1 4.27Å; L13-F163 HydrophobicContact CD2-CZ 4.16Å; L13-F163 WeakPolarHBondContact O-CE1 3.07Å |
| 14 | W | 93.1 | Very high | 81 | Confident | 49 Ų | 49 | 77.2 Ų | 77.2 | 19% | 0.186 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.2 | -28.6 | -178.3 | -158.5 | -111.4 | 0 | 0 | 0 | 114.9 | V10 R12 S16 R17 K93 T96 H97 V162 | V10-W14 WeakPolarHBondContact O-CB 3.21Å; V10-W14 PolarHBondContact O-N 3.07Å; R12-W14 VanDerWaalsContact C-N 3.26Å; R12-W14 PolarHBondContact O-N 2.56Å; W14-S16 VanDerWaalsContact C-N 3.34Å; W14-R17 WeakPolarHBondContact O-CG 3.33Å; W14-R17 PolarHBondContact O-NH1 3.44Å; W14-R17 VanDerWaalsContact O-NH1 3.1Å; W14-K93 HydrophobicContact CH2-CB 3.92Å; W14-K93 HydrophobicContact CH2-CG 3.73Å; W14-K93 HydrophobicContact CZ2-CB 4.07Å; W14-K93 HydrophobicContact CZ2-CD 4.2Å; W14-K93 HydrophobicContact CZ2-CG 3.67Å; W14-T96 HydrophobicContact CZ3-CG2 3.85Å; W14-H97 AromaticContact CE2-NE2 3.86Å; W14-H97 AromaticContact CH2-NE2 4Å; W14-H97 AromaticContact CZ2-NE2 3.85Å; W14-V162 HydrophobicContact CZ3-CG1 4.49Å |
| 15 | R | 93.1 | Very high | 78.5 | Confident | 164 Ų | 164 | 82 Ų | 82 | 62% | 0.619 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -76.9 | -22.7 | 172.9 | -73.6 | -168.8 | -62.9 | -87.6 | 4.5 | 112.8 | R11 R12 L13 R17 | R11-R15 WeakPolarHBondContact O-CG 3.3Å; R11-R15 PolarHBondContact O-N 3.28Å; R11-R15 PolarHBondContact O-NH1 2.82Å; R12-R15 VanDerWaalsContact CG-NH2 3.26Å; R12-R15 PolarHBondContact O-N 3.4Å; R12-R15 VanDerWaalsContact O-N 3.08Å; L13-R15 VanDerWaalsContact C-N 3.27Å; L13-R15 PolarHBondContact O-N 3.2Å; R15-R17 VanDerWaalsContact C-N 3.35Å |
| 16 | S | 93.3 | Very high | 75.6 | Confident | 37 Ų | 37 | 86.2 Ų | 86.2 | 26% | 0.259 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 12.8 | -179.9 | -51.8 | 0 | 0 | 0 | 0 | 113.4 | R12 L13 W14 V115 | R12-S16 PolarHBondContact O-N 3.17Å; R12-S16 VanDerWaalsContact O-N 3.15Å; R12-S16 PolarHBondContact O-OG 2.81Å; L13-S16 CarbonylContact O-C 3.53Å; L13-S16 PolarHBondContact O-N 3.04Å; W14-S16 VanDerWaalsContact C-N 3.34Å; S16-V115 VanDerWaalsContact CB-CG1 3.49Å; S16-V115 WeakPolarHBondContact O-CG1 3.41Å |
| 17 | R | 93.1 | Very high | 72.6 | Confident | 90 Ų | 90 | 87 Ų | 87 | 34% | 0.34 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -63.9 | 154 | 173.3 | 72.2 | -177.6 | -172.1 | -96.4 | 0.9 | 111 | L13 W14 R15 V162 | L13-R17 PolarHBondContact O-N 2.96Å; W14-R17 WeakPolarHBondContact O-CG 3.33Å; W14-R17 PolarHBondContact O-NH1 3.44Å; W14-R17 VanDerWaalsContact O-NH1 3.1Å; R15-R17 VanDerWaalsContact C-N 3.35Å; R17-V162 HydrophobicContact CB-CG1 4.17Å |
| 18 | A | 88.8 | Confident | 69.6 | Low | 15 Ų | 15 | 90 Ų | 90 | 12% | 0.124 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 139.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | G20 V162 P166 | A18-G20 PolarHBondContact O-N 2.79Å; A18-V162 PolarHBondContact N-O 2.89Å; A18-P166 HydrophobicContact CB-CG 3.73Å |
| 19 | P | 78.1 | Confident | 66.6 | Low | 110 Ų | 110 | 92.6 Ų | 92.6 | 71% | 0.714 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 128.2 | 175.9 | 23.9 | -30.5 | 0 | 0 | 0 | 109.5 | ||
| 20 | G | 57 | Low | 63.3 | Low | 29 Ų | 29 | 95.7 Ų | 95.7 | 30% | 0.299 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -71.7 | 146.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | A18 E22 D23 | A18-G20 PolarHBondContact O-N 2.79Å; G20-E22 PolarHBondContact O-N 3.14Å; G20-D23 PolarHBondContact O-N 3.03Å |
| 21 | G | 48.3 | Very low | 60.1 | Low | 90 Ų | 90 | 98.2 Ų | 98.2 | 93% | 0.928 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 19.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 22 | E | 39.7 | Very low | 56.9 | Low | 173 Ų | 173 | 98.5 Ų | 98.5 | 81% | 0.808 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.2 | 4.1 | -178.7 | -63.1 | -177.8 | 157.6 | 0 | 0 | 113.1 | G20 E24 | G20-E22 PolarHBondContact O-N 3.14Å; E22-E24 VanDerWaalsContact C-N 3.26Å; E22-E24 PolarHBondContact O-N 3.34Å |
| 23 | D | 37.1 | Very low | 53.6 | Low | 111 Ų | 111 | 97.2 Ų | 97.2 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | trans | -88.7 | 41.6 | 176.5 | -74 | -29.9 | 0 | 0 | 0 | 112.5 | G20 | G20-D23 PolarHBondContact O-N 3.03Š| ||
| 24 | E | 40.7 | Very low | 50.4 | Low | 186 Ų | 186 | 101 Ų | 101 | 87% | 0.869 | 68% | 0.683 | S | S | * | * | trans | -123.1 | 76.9 | 165.8 | -79.9 | -167.9 | 164.4 | 0 | 0 | 110.3 | E22 | E22-E24 VanDerWaalsContact C-N 3.26Å; E22-E24 PolarHBondContact O-N 3.34Å | ||
| 25 | E | 37.1 | Very low | 47.2 | Very low | 190 Ų | 190 | 102.5 Ų | 102.5 | 89% | 0.888 | 71% | 0.713 | S | S | * | * | trans | 163.5 | 102.8 | 141.1 | -97.7 | -171.1 | 149.7 | 0 | 0 | 109.5 | ||||
| 26 | E | 32.7 | Very low | 44.2 | Very low | 201 Ų | 201 | 103.8 Ų | 103.8 | 94% | 0.939 | 73% | 0.726 | S | S | * | * | -171.9 | 118.1 | 125.1 | -103.3 | -175.5 | 178.3 | 0 | 0 | 108.3 | |||||
| 27 | G | 30.4 | Very low | 41.3 | Very low | 83 Ų | 83 | 110.3 Ų | 110.3 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | -80.6 | 166.4 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 28 | A | 30.1 | Very low | 38.1 | Very low | 102 Ų | 102 | 118 Ų | 118 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -137.3 | 108.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 29 | G | 29.7 | Very low | 35.2 | Very low | 88 Ų | 88 | 120.9 Ų | 120.9 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | -62.5 | 141.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 30 | G | 27.3 | Very low | 32.8 | Very low | 78 Ų | 78 | 125.3 Ų | 125.3 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -169.4 | 90.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 31 | G | 26.8 | Very low | 31.3 | Very low | 82 Ų | 82 | 127.6 Ų | 127.6 | 85% | 0.845 | 85% | 0.851 | S | S | * | * | trans | -74.2 | 164.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 32 | G | 26 | Very low | 30.3 | Very low | 87 Ų | 87 | 127.5 Ų | 127.5 | 90% | 0.897 | 84% | 0.842 | S | S | * | * | trans | 89.6 | 125.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 33 | G | 26.9 | Very low | 29.8 | Very low | 77 Ų | 77 | 125.4 Ų | 125.4 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | cis | -164.7 | 143.8 | 6.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 34 | G | 28.8 | Very low | 29.3 | Very low | 80 Ų | 80 | 127 Ų | 127 | 83% | 0.825 | 85% | 0.85 | S | S | * | * | trans | -73.9 | 124.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | E36 | G34-E36 PolarHBondContact O-N 3.15Š| ||
| 35 | G | 26.5 | Very low | 28.7 | Very low | 79 Ų | 79 | 122.6 Ų | 122.6 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | trans | -77.4 | 105 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 36 | E | 30.5 | Very low | 28.2 | Very low | 191 Ų | 191 | 125 Ų | 125 | 89% | 0.893 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -104 | 139.2 | 159.9 | -81.2 | -174.1 | 117.4 | 0 | 0 | 109.7 | G34 | G34-E36 PolarHBondContact O-N 3.15Š|
| 37 | L | 30.6 | Very low | 27.9 | Very low | 175 Ų | 175 | 119.1 Ų | 119.1 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 139.9 | -173.2 | -74.7 | 107.3 | 0 | 0 | 0 | 112 | ||
| 38 | R | 26.6 | Very low | 27.8 | Very low | 252 Ų | 252 | 124.5 Ų | 124.5 | 95% | 0.951 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 129.2 | 170.8 | -74.2 | 176.1 | 159.1 | -150.6 | -4.5 | 111.3 | ||
| 39 | G | 27.9 | Very low | 27.6 | Very low | 75 Ų | 75 | 122.9 Ų | 122.9 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -133.6 | 117.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 40 | E | 28.3 | Very low | 27.4 | Very low | 203 Ų | 203 | 124 Ų | 124 | 95% | 0.949 | 82% | 0.823 | S | S | * | * | trans | -55.8 | 147.9 | 169.2 | -59.3 | 170.2 | 111.8 | 0 | 0 | 109.3 | ||||
| 41 | G | 25.5 | Very low | 27.3 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | cis | 126.2 | 110.1 | 27.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 42 | A | 28.2 | Very low | 27.2 | Very low | 89 Ų | 89 | 124.3 Ų | 124.3 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | trans | 167.1 | 104.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 43 | T | 27.6 | Very low | 27.1 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | 54.5 | 113.3 | 108.2 | 64.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 44 | D | 27.8 | Very low | 27.1 | Very low | 145 Ų | 145 | 124.2 Ų | 124.2 | 78% | 0.775 | 83% | 0.825 | S | S | * | * | 176.6 | 137.6 | 94.5 | -127.4 | -25.7 | 0 | 0 | 0 | 114.3 | |||||
| 45 | S | 27.4 | Very low | 27.5 | Very low | 92 Ų | 92 | 127 Ų | 127 | 64% | 0.643 | 83% | 0.829 | S | S | * | * | trans | 43.5 | 123.3 | 136.6 | -63 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 46 | R | 26.6 | Very low | 27.4 | Very low | 240 Ų | 240 | 126.8 Ų | 126.8 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | 81.8 | 120.4 | 126.6 | -86.3 | 179.8 | 169.5 | 170 | -2.3 | 123.4 | |||||
| 47 | A | 27.4 | Very low | 27.4 | Very low | 79 Ų | 79 | 129.4 Ų | 129.4 | 65% | 0.653 | 83% | 0.828 | S | S | * | * | 94.9 | 125.8 | 117.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 48 | H | 27.8 | Very low | 27.2 | Very low | 195 Ų | 195 | 126 Ų | 126 | 90% | 0.903 | 83% | 0.825 | S | S | * | * | trans | 46.3 | 141.5 | 142.3 | -61.4 | -68 | 0 | 0 | 0 | 120.1 | ||||
| 49 | G | 25.2 | Very low | 27.1 | Very low | 69 Ų | 69 | 117.1 Ų | 117.1 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | cis | 168.9 | 155.5 | 6.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 50 | A | 25.8 | Very low | 27 | Very low | 111 Ų | 111 | 119.2 Ų | 119.2 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | 50.9 | 130.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 51 | G | 24.7 | Very low | 26.8 | Very low | 86 Ų | 86 | 114.6 Ų | 114.6 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | 92.5 | 132.4 | 141.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 52 | G | 24.4 | Very low | 27 | Very low | 81 Ų | 81 | 119.5 Ų | 119.5 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | cis | 170 | 164.3 | 5.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 53 | G | 25.7 | Very low | 26.8 | Very low | 85 Ų | 85 | 119.1 Ų | 119.1 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | 105.8 | 104.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 54 | G | 25.1 | Very low | 26.7 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -79.3 | -148.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 55 | P | 37.5 | Very low | 26.5 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 90% | 0.903 | 82% | 0.819 | S | S | * | * | cis | -128.2 | 170.9 | -10.3 | 38.9 | -22.9 | 0 | 0 | 0 | 112.9 | ||||
| 56 | G | 25.2 | Very low | 26.5 | Very low | 73 Ų | 73 | 122.9 Ų | 122.9 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | trans | 161.7 | 110.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 57 | R | 29.9 | Very low | 26.5 | Very low | 246 Ų | 246 | 123.2 Ų | 123.2 | 93% | 0.928 | 83% | 0.832 | S | S | * | * | trans | 79.9 | 87.8 | 158.3 | -70.3 | -176.5 | 155.6 | -161.2 | -6.4 | 118.9 | ||||
| 58 | A | 27.3 | Very low | 26.3 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | 1.1 | 116.3 | 131.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 59 | G | 24.3 | Very low | 26.2 | Very low | 65 Ų | 65 | 118.1 Ų | 118.1 | 67% | 0.67 | 83% | 0.831 | S | S | * | * | trans | -79 | 165.3 | 138.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 60 | C | 25.3 | Very low | 26.3 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | 164.6 | 103.3 | 156.7 | -92 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 61 | C | 25.2 | Very low | 26.2 | Very low | 106 Ų | 106 | 123 Ų | 123 | 72% | 0.716 | 83% | 0.83 | S | S | * | * | 78.4 | 115.9 | 97.7 | 66.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 62 | L | 28.8 | Very low | 26.4 | Very low | 180 Ų | 180 | 128.1 Ų | 128.1 | 94% | 0.942 | 83% | 0.831 | S | S | * | * | 48.5 | 92.9 | 98.7 | -90.8 | 155.2 | 0 | 0 | 0 | 112.7 | |||||
| 63 | G | 25 | Very low | 26.5 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | -119.3 | 110.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 64 | K | 25.1 | Very low | 26.7 | Very low | 205 Ų | 205 | 137.6 Ų | 137.6 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | trans | -68.6 | 157.5 | 177.6 | -90.2 | 170.2 | 168 | 172.9 | 0 | 113.4 | ||||
| 65 | A | 24 | Very low | 27.1 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | trans | -20.1 | 140.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 66 | V | 26.9 | Very low | 26.6 | Very low | 146 Ų | 146 | 142 Ų | 142 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | trans | -117.2 | 132.1 | 159.5 | 172.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 67 | R | 25.2 | Very low | 26.9 | Very low | 248 Ų | 248 | 143.5 Ų | 143.5 | 94% | 0.936 | 82% | 0.824 | S | S | * | * | trans | -107.1 | 144.6 | 174.5 | -84.7 | -173.7 | 176.3 | -164.2 | -0.1 | 110.9 | ||||
| 68 | G | 23.9 | Very low | 26.9 | Very low | 78 Ų | 78 | 137.6 Ų | 137.6 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 118 | 133.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 69 | A | 25.8 | Very low | 27.4 | Very low | 89 Ų | 89 | 138.1 Ų | 138.1 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | cis | -169.3 | 159.2 | -0.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 70 | K | 27 | Very low | 28.1 | Very low | 217 Ų | 217 | 139.8 Ų | 139.8 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | trans | 64.8 | 130.6 | 161.1 | -59.6 | 179.8 | 179.3 | -178.6 | 0 | 117.3 | ||||
| 71 | G | 24 | Very low | 28.6 | Very low | 65 Ų | 65 | 136.6 Ų | 136.6 | 67% | 0.67 | 82% | 0.817 | S | S | * | * | cis | 164 | 128.3 | -1.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 72 | H | 27.9 | Very low | 29.2 | Very low | 194 Ų | 194 | 136 Ų | 136 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -156.4 | 125.7 | 158.4 | -94 | -65.1 | 0 | 0 | 0 | 108.6 | ||||
| 73 | H | 27.8 | Very low | 29.5 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 89% | 0.889 | 81% | 0.807 | S | S | * | * | trans | -71.1 | 121.6 | -178.5 | -81.5 | -50.1 | 0 | 0 | 0 | 111.6 | ||||
| 74 | H | 29.7 | Very low | 30.6 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -129.7 | 142.2 | 154.5 | -82.2 | -69.7 | 0 | 0 | 0 | 108.8 | ||||
| 75 | P | 32.7 | Very low | 31.9 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 132.8 | -170.1 | 28.7 | -32.2 | 0 | 0 | 0 | 111.6 | ||
| 76 | H | 27.3 | Very low | 33.7 | Very low | 185 Ų | 185 | 120.9 Ų | 120.9 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 138.2 | 169.3 | -96.6 | -89.7 | 0 | 0 | 0 | 110.9 | ||
| 77 | P | 31.6 | Very low | 35.8 | Very low | 106 Ų | 106 | 115.4 Ų | 115.4 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 152.1 | 158.5 | 32.5 | -29.9 | 0 | 0 | 0 | 109.5 | ||
| 78 | P | 31.4 | Very low | 38.2 | Very low | 122 Ų | 122 | 106.6 Ų | 106.6 | 79% | 0.792 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 141.1 | -177.1 | 28.2 | -32.3 | 0 | 0 | 0 | 111.1 | A80 | P78-A80 PolarHBondContact O-N 3.07Š|
| 79 | A | 36.8 | Very low | 40.9 | Very low | 115 Ų | 115 | 107 Ų | 107 | 95% | 0.95 | 70% | 0.696 | S | S | * | * | trans | -65.8 | 94.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 80 | A | 38.8 | Very low | 43.7 | Very low | 99 Ų | 99 | 105.2 Ų | 105.2 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | -113.4 | 102.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | P78 | P78-A80 PolarHBondContact O-N 3.07Š| ||
| 81 | G | 36.9 | Very low | 46.4 | Very low | 53 Ų | 53 | 98.9 Ų | 98.9 | 55% | 0.546 | 66% | 0.658 | S | S | . | * | trans | -165.6 | -32.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 82 | A | 36.2 | Very low | 49.4 | Very low | 93 Ų | 93 | 97.2 Ų | 97.2 | 77% | 0.769 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -84.5 | -37.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 83 | G | 35.5 | Very low | 52.2 | Low | 66 Ų | 66 | 91.3 Ų | 91.3 | 68% | 0.68 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.6 | -27.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G87 | G83-G87 PolarHBondContact O-N 3.26Å |
| 84 | A | 47.5 | Very low | 55.1 | Low | 77 Ų | 77 | 84.3 Ų | 84.3 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -78.7 | -35.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G87 A88 | A84-G87 PolarHBondContact O-N 3.11Å; A84-A88 PolarHBondContact O-N 3.15Å; A84-A88 VanDerWaalsContact O-N 3.13Å |
| 85 | A | 54.1 | Low | 57.9 | Low | 57 Ų | 57 | 77.1 Ų | 77.1 | 47% | 0.471 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.3 | -45.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G87 A88 E89 | A85-G87 VanDerWaalsContact C-N 3.32Å; A85-G87 PolarHBondContact O-N 2.89Å; A85-A88 PolarHBondContact O-N 2.68Å; A85-E89 PolarHBondContact O-N 2.77Å |
| 86 | G | 61.2 | Low | 60.7 | Low | 42 Ų | 42 | 71.2 Ų | 71.2 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -33.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A90 | G86-A90 WeakPolarHBondContact O-CB 3.37Å; G86-A90 PolarHBondContact O-N 3.23Å; G86-A90 VanDerWaalsContact O-N 3.15Å |
| 87 | G | 70.3 | Confident | 63.8 | Low | 31 Ų | 31 | 66.3 Ų | 66.3 | 32% | 0.32 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -47.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G83 A84 A85 E89 A90 D91 | G83-G87 PolarHBondContact O-N 3.26Å; A84-G87 PolarHBondContact O-N 3.11Å; A85-G87 VanDerWaalsContact C-N 3.32Å; A85-G87 PolarHBondContact O-N 2.89Å; G87-E89 VanDerWaalsContact C-N 3.31Å; G87-E89 PolarHBondContact O-N 3.15Å; G87-A90 PolarHBondContact O-N 3.16Å; G87-D91 PolarHBondContact O-N 2.94Å |
| 88 | A | 76.2 | Confident | 66.6 | Low | 63 Ų | 63 | 63.4 Ų | 63.4 | 52% | 0.521 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A84 A85 L92 | A84-A88 PolarHBondContact O-N 3.15Å; A84-A88 VanDerWaalsContact O-N 3.13Å; A85-A88 PolarHBondContact O-N 2.68Å; A88-L92 WeakPolarHBondContact O-CB 3.25Å; A88-L92 PolarHBondContact O-N 2.87Å |
| 89 | E | 81 | Confident | 69.4 | Low | 86 Ų | 86 | 57.6 Ų | 57.6 | 40% | 0.402 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70 | -41.9 | 176.2 | -160.1 | -161 | 156.1 | 0 | 0 | 111.9 | A85 G87 D91 L92 K93 | A85-E89 PolarHBondContact O-N 2.77Å; G87-E89 VanDerWaalsContact C-N 3.31Å; G87-E89 PolarHBondContact O-N 3.15Å; E89-D91 VanDerWaalsContact C-N 3.31Å; E89-D91 PolarHBondContact O-N 3.35Å; E89-L92 PolarHBondContact O-N 2.99Å; E89-K93 VanDerWaalsContact O-CG 3.24Å; E89-K93 WeakPolarHBondContact O-CG 3.43Å; E89-K93 PolarHBondContact O-N 2.89Å; E89-K93 WeakPolarHBondContact OE1-CE 3.5Å; E89-K93 IonicContact OE1-NZ 2.63Å; E89-K93 PolarHBondContact OE1-NZ 3.04Å; E89-K93 IonicContact OE2-NZ 3.89Å |
| 90 | A | 83.3 | Confident | 72.1 | Confident | 52 Ų | 52 | 52.1 Ų | 52.1 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G86 G87 K93 A94 | G86-A90 WeakPolarHBondContact O-CB 3.37Å; G86-A90 PolarHBondContact O-N 3.23Å; G86-A90 VanDerWaalsContact O-N 3.15Å; G87-A90 PolarHBondContact O-N 3.16Å; A90-K93 PolarHBondContact O-N 3.43Å; A90-A94 WeakPolarHBondContact O-CB 3.47Å; A90-A94 PolarHBondContact O-N 2.91Å |
| 91 | D | 84.6 | Confident | 74.6 | Confident | 84 Ų | 84 | 55.4 Ų | 55.4 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 176 | -72 | -21.7 | 0 | 0 | 0 | 111.9 | G87 E89 K93 A94 L95 | G87-D91 PolarHBondContact O-N 2.94Å; E89-D91 VanDerWaalsContact C-N 3.31Å; E89-D91 PolarHBondContact O-N 3.35Å; D91-K93 VanDerWaalsContact C-N 3.29Å; D91-K93 PolarHBondContact O-N 3.31Å; D91-A94 PolarHBondContact O-N 2.82Å; D91-L95 VanDerWaalsContact O-CB 3.23Å; D91-L95 WeakPolarHBondContact O-CB 3.29Å; D91-L95 PolarHBondContact O-N 2.94Å |
| 92 | L | 85.9 | Confident | 77.1 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 15% | 0.152 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 174.9 | -173.2 | 70.1 | 0 | 0 | 0 | 111.1 | A88 E89 T96 Y153 L158 K161 V162 | A88-L92 WeakPolarHBondContact O-CB 3.25Å; A88-L92 PolarHBondContact O-N 2.87Å; E89-L92 PolarHBondContact O-N 2.99Å; L92-T96 WeakPolarHBondContact O-CB 3.26Å; L92-T96 PolarHBondContact O-N 2.9Å; L92-T96 PolarHBondContact O-OG1 3.28Å; L92-Y153 HydrophobicContact CD1-CD2 4.37Å; L92-Y153 HydrophobicContact CD1-CE2 4.14Å; L92-L158 HydrophobicContact CD1-CD1 3.4Å; L92-L158 HydrophobicContact CG-CD1 4.44Å; L92-K161 HydrophobicContact CD1-CD 4.08Å; L92-K161 HydrophobicContact CD2-CD 4.14Å; L92-K161 HydrophobicContact CD2-CG 4.25Å; L92-V162 HydrophobicContact CD1-CG2 4.5Å; L92-V162 HydrophobicContact CD2-CG2 4.41Å; L92-V162 HydrophobicContact CG-CG2 4.28Å |
| 93 | K | 87.6 | Confident | 79.9 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.6 | -48.7 | 177 | -69.4 | 172 | 164.7 | 157.6 | 0 | 111.2 | W14 E89 A90 D91 L95 T96 H97 | W14-K93 HydrophobicContact CH2-CB 3.92Å; W14-K93 HydrophobicContact CH2-CG 3.73Å; W14-K93 HydrophobicContact CZ2-CB 4.07Å; W14-K93 HydrophobicContact CZ2-CD 4.2Å; W14-K93 HydrophobicContact CZ2-CG 3.67Å; E89-K93 VanDerWaalsContact O-CG 3.24Å; E89-K93 WeakPolarHBondContact O-CG 3.43Å; E89-K93 PolarHBondContact O-N 2.89Å; E89-K93 WeakPolarHBondContact OE1-CE 3.5Å; E89-K93 IonicContact OE1-NZ 2.63Å; E89-K93 PolarHBondContact OE1-NZ 3.04Å; E89-K93 IonicContact OE2-NZ 3.89Å; A90-K93 PolarHBondContact O-N 3.43Å; D91-K93 VanDerWaalsContact C-N 3.29Å; D91-K93 PolarHBondContact O-N 3.31Å; K93-L95 PolarHBondContact O-N 3.12Å; K93-T96 PolarHBondContact O-N 3.1Å; K93-H97 PolarHBondContact O-CD2 3.5Å; K93-H97 PolarHBondContact O-N 2.74Å |
| 94 | A | 89.1 | Confident | 82.7 | Confident | 46 Ų | 46 | 58 Ų | 58 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A90 D91 T96 H97 S98 L136 | A90-A94 WeakPolarHBondContact O-CB 3.47Å; A90-A94 PolarHBondContact O-N 2.91Å; D91-A94 PolarHBondContact O-N 2.82Å; A94-T96 PolarHBondContact O-N 3.2Å; A94-H97 PolarHBondContact O-N 3.26Å; A94-S98 PolarHBondContact O-N 3.43Å; A94-L136 HydrophobicContact CB-CD2 4.21Å |
| 95 | L | 88.9 | Confident | 85 | Confident | 20 Ų | 20 | 58 Ų | 58 | 11% | 0.105 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 176 | 178.6 | 58.5 | 0 | 0 | 0 | 111.4 | D91 K93 H97 S98 V99 C134 Y153 L158 | D91-L95 VanDerWaalsContact O-CB 3.23Å; D91-L95 WeakPolarHBondContact O-CB 3.29Å; D91-L95 PolarHBondContact O-N 2.94Å; K93-L95 PolarHBondContact O-N 3.12Å; L95-H97 PolarHBondContact O-N 3Å; L95-S98 WeakPolarHBondContact O-CB 3.2Å; L95-S98 PolarHBondContact O-N 3.31Å; L95-V99 WeakPolarHBondContact O-CG2 3.46Å; L95-V99 PolarHBondContact O-N 3.24Å; L95-C134 HydrophobicContact CD1-CB 3.24Å; L95-Y153 HydrophobicContact CD2-CD2 4.02Å; L95-L158 HydrophobicContact CD2-CD1 3.8Å; L95-L158 HydrophobicContact CD2-CD2 4.01Å; L95-L158 HydrophobicContact CD2-CG 4.49Å; L95-L158 HydrophobicContact CG-CD1 4.1Å; L95-L158 HydrophobicContact CG-CD2 3.75Å |
| 96 | T | 91.1 | Very high | 87 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 178.2 | -53 | 0 | 0 | 0 | 0 | 111.8 | W14 L92 K93 A94 S98 V99 L100 V162 | W14-T96 HydrophobicContact CZ3-CG2 3.85Å; L92-T96 WeakPolarHBondContact O-CB 3.26Å; L92-T96 PolarHBondContact O-N 2.9Å; L92-T96 PolarHBondContact O-OG1 3.28Å; K93-T96 PolarHBondContact O-N 3.1Å; A94-T96 PolarHBondContact O-N 3.2Å; T96-S98 VanDerWaalsContact C-N 3.33Å; T96-S98 PolarHBondContact O-N 3.35Å; T96-V99 WeakPolarHBondContact O-CB 3.5Å; T96-V99 PolarHBondContact O-N 3.43Å; T96-L100 HydrophobicContact CG2-CD1 4.23Å; T96-L100 HydrophobicContact CG2-CG 4.32Å; T96-L100 WeakPolarHBondContact O-CG 3.19Å; T96-L100 PolarHBondContact O-N 3.46Å; T96-V162 HydrophobicContact CG2-CG1 4.23Å; T96-V162 HydrophobicContact CG2-CG2 4.12Å; T96-V162 VanDerWaalsContact OG1-CG2 3.29Å; T96-V162 WeakPolarHBondContact OG1-CG2 3.36Å |
| 97 | H | 91.1 | Very high | 88.7 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 176 | -83.5 | -66.9 | 0 | 0 | 0 | 112.6 | W14 K93 A94 L95 V99 L100 K101 | W14-H97 AromaticContact CE2-NE2 3.86Å; W14-H97 AromaticContact CH2-NE2 4Å; W14-H97 AromaticContact CZ2-NE2 3.85Å; K93-H97 PolarHBondContact O-CD2 3.5Å; K93-H97 PolarHBondContact O-N 2.74Å; A94-H97 PolarHBondContact O-N 3.26Å; L95-H97 PolarHBondContact O-N 3Å; H97-V99 VanDerWaalsContact C-N 3.33Å; H97-V99 PolarHBondContact O-N 3.39Å; H97-L100 PolarHBondContact O-N 3.29Å; H97-K101 WeakPolarHBondContact O-CB 3.35Å; H97-K101 PolarHBondContact O-N 2.72Å |
| 98 | S | 90.6 | Very high | 89.9 | Confident | 44 Ų | 44 | 61.4 Ų | 61.4 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 175.1 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | A94 L95 T96 K101 K102 | A94-S98 PolarHBondContact O-N 3.43Å; L95-S98 WeakPolarHBondContact O-CB 3.2Å; L95-S98 PolarHBondContact O-N 3.31Å; T96-S98 VanDerWaalsContact C-N 3.33Å; T96-S98 PolarHBondContact O-N 3.35Å; S98-K101 PolarHBondContact O-N 3.23Å; S98-K102 WeakPolarHBondContact O-CG 3.16Å; S98-K102 PolarHBondContact O-N 2.91Å |
| 99 | V | 91.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.4 | -54.3 | 174.8 | 167.2 | 0 | 0 | 0 | 0 | 111.2 | L95 T96 H97 K101 K102 L103 L132 L155 L158 L159 | L95-V99 WeakPolarHBondContact O-CG2 3.46Å; L95-V99 PolarHBondContact O-N 3.24Å; T96-V99 WeakPolarHBondContact O-CB 3.5Å; T96-V99 PolarHBondContact O-N 3.43Å; H97-V99 VanDerWaalsContact C-N 3.33Å; H97-V99 PolarHBondContact O-N 3.39Å; V99-K101 PolarHBondContact O-N 3.24Å; V99-K102 PolarHBondContact O-N 2.88Å; V99-L103 PolarHBondContact O-N 2.88Å; V99-L132 HydrophobicContact CG2-CD2 4.15Å; V99-L155 HydrophobicContact CB-CD1 4.34Å; V99-L155 HydrophobicContact CG1-CD1 3.5Å; V99-L155 HydrophobicContact CG2-CD1 3.86Å; V99-L158 HydrophobicContact CG2-CD2 3.76Å; V99-L159 HydrophobicContact CG1-CD2 4.46Å |
| 100 | L | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -33.1 | -178.2 | -65.5 | -178.3 | 0 | 0 | 0 | 111.9 | R6 V10 L13 T96 H97 K102 L103 L108 L111 | R6-L100 PolarHBondContact NH2-O 3.11Å; V10-L100 HydrophobicContact CG1-CD1 4.21Å; L13-L100 HydrophobicContact CD1-CD2 4.01Å; T96-L100 HydrophobicContact CG2-CD1 4.23Å; T96-L100 HydrophobicContact CG2-CG 4.32Å; T96-L100 WeakPolarHBondContact O-CG 3.19Å; T96-L100 PolarHBondContact O-N 3.46Å; H97-L100 PolarHBondContact O-N 3.29Å; L100-K102 VanDerWaalsContact C-N 3.28Å; L100-K102 PolarHBondContact O-N 2.79Å; L100-L103 HydrophobicContact CD2-CD1 4.01Å; L100-L103 PolarHBondContact O-N 3.44Å; L100-L108 HydrophobicContact CB-CD2 4.38Å; L100-L108 HydrophobicContact CD2-CD2 3.98Å; L100-L111 HydrophobicContact CD2-CD2 3.76Å |
| 101 | K | 90.5 | Very high | 92.4 | Very high | 169 Ų | 169 | 55.5 Ų | 55.5 | 74% | 0.735 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.9 | -25.7 | 175.5 | -171.6 | 178.4 | 178.4 | -176.8 | 0 | 113 | R6 H97 S98 V99 | R6-K101 PolarHBondContact NH2-O 3.2Å; H97-K101 WeakPolarHBondContact O-CB 3.35Å; H97-K101 PolarHBondContact O-N 2.72Å; S98-K101 PolarHBondContact O-N 3.23Å; V99-K101 PolarHBondContact O-N 3.24Å |
| 102 | K | 90.6 | Very high | 93 | Very high | 103 Ų | 103 | 51.8 Ų | 51.8 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -87.6 | -17.4 | 178.1 | -68.8 | 173.7 | 178.4 | -175 | 0 | 113.6 | S98 V99 L100 L132 D133 | S98-K102 WeakPolarHBondContact O-CG 3.16Å; S98-K102 PolarHBondContact O-N 2.91Å; V99-K102 PolarHBondContact O-N 2.88Å; L100-K102 VanDerWaalsContact C-N 3.28Å; L100-K102 PolarHBondContact O-N 2.79Å; K102-L132 HydrophobicContact CB-CD2 4.1Å; K102-L132 HydrophobicContact CD-CD1 4.17Å; K102-L132 HydrophobicContact CD-CD2 3.5Å; K102-L132 HydrophobicContact CD-CG 3.81Å; K102-L132 HydrophobicContact CG-CD2 4.43Å; K102-D133 PolarHBondContact NZ-O 2.84Å |
| 103 | L | 93.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -73 | 142.3 | -179.7 | -60.9 | -173.8 | 0 | 0 | 0 | 112.8 | R6 V99 L100 Q107 L108 L111 L128 | R6-L103 PolarHBondContact NH1-O 3.45Å; R6-L103 PolarHBondContact NH2-O 3.27Å; V99-L103 PolarHBondContact O-N 2.88Å; L100-L103 HydrophobicContact CD2-CD1 4.01Å; L100-L103 PolarHBondContact O-N 3.44Å; L103-Q107 HydrophobicContact CB-CB 4.13Å; L103-L108 HydrophobicContact CB-CD2 3.97Å; L103-L108 HydrophobicContact CB-CG 3.97Å; L103-L108 HydrophobicContact CD1-CD2 3.96Å; L103-L111 HydrophobicContact CD1-CD2 4.25Å; L103-L128 HydrophobicContact CD2-CD1 3.68Å; L103-L128 HydrophobicContact CD2-CD2 3.53Å; L103-L128 HydrophobicContact CD2-CG 4.3Å |
| 104 | K | 94.6 | Very high | 93.9 | Very high | 155 Ų | 155 | 51.9 Ų | 51.9 | 67% | 0.674 | 24% | 0.243 | S | C | * | . | trans | -68 | 158.4 | 170 | -62.4 | -179.3 | -178.9 | 178.8 | 0 | 110.8 | R106 Q107 L108 | K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 2.89Å; K104-Q107 HydrophobicContact CB-CG 4.39Å; K104-Q107 WeakPolarHBondContact O-CB 3.46Å; K104-Q107 PolarHBondContact O-N 2.99Å; K104-L108 PolarHBondContact O-N 2.72Å | ||
| 105 | E | 95.8 | Very high | 94.2 | Very high | 77 Ų | 77 | 50 Ų | 50 | 36% | 0.36 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.4 | -42.9 | 179.9 | -67 | -160.6 | 152.4 | 0 | 0 | 112.5 | R6 Q107 L108 E109 | R6-E105 HydrophobicContact CB-CG 4.47Å; R6-E105 PolarHBondContact N-OE1 2.83Å; E105-Q107 VanDerWaalsContact C-N 3.3Å; E105-Q107 PolarHBondContact O-N 2.76Å; E105-L108 WeakPolarHBondContact O-CB 3.22Å; E105-L108 PolarHBondContact O-N 2.73Å; E105-L108 VanDerWaalsContact O-N 3.15Å; E105-E109 WeakPolarHBondContact O-CG 3.41Å; E105-E109 PolarHBondContact O-N 2.91Å |
| 106 | R | 96.3 | Very high | 94.4 | Very high | 156 Ų | 156 | 52.9 Ų | 52.9 | 59% | 0.589 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -59.4 | -39.1 | 175.6 | -177.1 | 57 | 177.7 | 171.7 | 0.4 | 112.9 | K104 E109 L110 | K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 2.89Å; R106-E109 IonicContact NH1-OE2 3.37Å; R106-E109 PolarHBondContact NH1-OE2 3.06Å; R106-E109 PolarHBondContact O-N 3.48Å; R106-L110 WeakPolarHBondContact O-CG 3.01Å; R106-L110 PolarHBondContact O-N 3.43Å |
| 107 | Q | 96.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 54 Ų | 54 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.5 | -37.1 | 177.4 | -71.8 | 170.6 | -33.8 | 0 | 0 | 111.6 | L103 K104 E105 L110 L111 L126 L128 | L103-Q107 HydrophobicContact CB-CB 4.13Å; K104-Q107 HydrophobicContact CB-CG 4.39Å; K104-Q107 WeakPolarHBondContact O-CB 3.46Å; K104-Q107 PolarHBondContact O-N 2.99Å; E105-Q107 VanDerWaalsContact C-N 3.3Å; E105-Q107 PolarHBondContact O-N 2.76Å; Q107-L110 PolarHBondContact O-N 2.85Å; Q107-L111 WeakPolarHBondContact O-CB 3.27Å; Q107-L111 PolarHBondContact O-N 3Å; Q107-L126 HydrophobicContact CB-CD1 3.84Å; Q107-L126 HydrophobicContact CG-CD1 4.08Å; Q107-L128 HydrophobicContact CG-CD2 4.4Å; Q107-L128 VanDerWaalsContact NE2-CD2 3.27Å |
| 108 | L | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 173.5 | -69.3 | 171.2 | 0 | 0 | 0 | 112 | R6 L9 V10 L13 L100 L103 K104 E105 L112 | R6-L108 HydrophobicContact CG-CD1 4.07Å; R6-L108 VanDerWaalsContact NH1-CD1 3.33Å; L9-L108 HydrophobicContact CB-CB 4.2Å; L9-L108 HydrophobicContact CD1-CB 3.94Å; V10-L108 HydrophobicContact CG2-CD1 4.08Å; V10-L108 HydrophobicContact CG2-CD2 4.29Å; L13-L108 HydrophobicContact CD1-CD2 3.73Å; L100-L108 HydrophobicContact CB-CD2 4.38Å; L100-L108 HydrophobicContact CD2-CD2 3.98Å; L103-L108 HydrophobicContact CB-CD2 3.97Å; L103-L108 HydrophobicContact CB-CG 3.97Å; L103-L108 HydrophobicContact CD1-CD2 3.96Å; K104-L108 PolarHBondContact O-N 2.72Å; E105-L108 WeakPolarHBondContact O-CB 3.22Å; E105-L108 PolarHBondContact O-N 2.73Å; E105-L108 VanDerWaalsContact O-N 3.15Å; L108-L112 WeakPolarHBondContact O-CB 3.45Å; L108-L112 PolarHBondContact O-N 2.97Å |
| 109 | E | 97.2 | Very high | 93.9 | Very high | 48 Ų | 48 | 58.9 Ų | 58.9 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -46.4 | 174.3 | -70.5 | 170.1 | 174.9 | 0 | 0 | 111.7 | K5 L9 E105 R106 L112 Q113 | K5-E109 WeakPolarHBondContact CE-OE1 3.31Å; K5-E109 IonicContact NZ-OE1 2.66Å; K5-E109 PolarHBondContact NZ-OE1 3.35Å; L9-E109 HydrophobicContact CD1-CG 3.9Å; L9-E109 HydrophobicContact CD2-CG 4.16Å; E105-E109 WeakPolarHBondContact O-CG 3.41Å; E105-E109 PolarHBondContact O-N 2.91Å; R106-E109 IonicContact NH1-OE2 3.37Å; R106-E109 PolarHBondContact NH1-OE2 3.06Å; R106-E109 PolarHBondContact O-N 3.48Å; E109-L112 PolarHBondContact O-N 2.91Å; E109-Q113 WeakPolarHBondContact O-CB 3.33Å; E109-Q113 PolarHBondContact O-N 2.93Å |
| 110 | L | 97.1 | Very high | 93.5 | Very high | 29 Ų | 29 | 59.4 Ų | 59.4 | 15% | 0.152 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 177.5 | -70.6 | 175.8 | 0 | 0 | 0 | 111.9 | R106 Q107 L112 Q113 A114 A124 | R106-L110 WeakPolarHBondContact O-CG 3.01Å; R106-L110 PolarHBondContact O-N 3.43Å; Q107-L110 PolarHBondContact O-N 2.85Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L110-Q113 PolarHBondContact O-N 2.83Å; L110-A114 WeakPolarHBondContact O-CB 3.34Å; L110-A114 PolarHBondContact O-N 2.77Å; L110-A124 HydrophobicContact CD2-CB 4.23Å |
| 111 | L | 97.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 176.1 | -177.6 | 58.3 | 0 | 0 | 0 | 111.1 | L13 L100 L103 Q107 A114 V115 L126 L159 F163 P195 | L13-L111 HydrophobicContact CD1-CD2 4.13Å; L13-L111 HydrophobicContact CD1-CG 4.49Å; L13-L111 HydrophobicContact CD2-CB 4.3Å; L13-L111 HydrophobicContact CD2-CD2 4.07Å; L13-L111 HydrophobicContact CD2-CG 3.74Å; L100-L111 HydrophobicContact CD2-CD2 3.76Å; L103-L111 HydrophobicContact CD1-CD2 4.25Å; Q107-L111 WeakPolarHBondContact O-CB 3.27Å; Q107-L111 PolarHBondContact O-N 3Å; L111-A114 PolarHBondContact O-N 2.78Å; L111-V115 HydrophobicContact CD1-CG2 4.06Å; L111-V115 HydrophobicContact CG-CG2 4.4Å; L111-V115 VanDerWaalsContact O-CG2 3.3Å; L111-V115 WeakPolarHBondContact O-CG2 3.38Å; L111-V115 PolarHBondContact O-N 3.4Å; L111-L126 HydrophobicContact CB-CD2 3.91Å; L111-L126 HydrophobicContact CD1-CD2 3.87Å; L111-L126 HydrophobicContact CD2-CD2 4.4Å; L111-L126 HydrophobicContact CG-CD2 4.26Å; L111-L159 HydrophobicContact CD2-CD2 4.43Å; L111-F163 HydrophobicContact CD1-CE2 4.39Å; L111-F163 HydrophobicContact CD2-CE2 4.06Å; L111-F163 HydrophobicContact CD2-CZ 4.43Å; L111-F163 HydrophobicContact CG-CE2 4.49Å; L111-P195 HydrophobicContact CD1-CG 4.13Å |
| 112 | L | 97.3 | Very high | 93 | Very high | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | -179.5 | -178.9 | 63.7 | 0 | 0 | 0 | 111.4 | L9 R12 L13 L108 E109 L110 A114 V115 E116 | L9-L112 HydrophobicContact CD2-CD2 3.56Å; R12-L112 HydrophobicContact CB-CD1 3.72Å; R12-L112 HydrophobicContact CB-CD2 4Å; L13-L112 HydrophobicContact CD2-CB 3.92Å; L13-L112 HydrophobicContact CD2-CD1 3.91Å; L13-L112 HydrophobicContact CG-CB 4.12Å; L13-L112 HydrophobicContact CG-CD1 3.9Å; L108-L112 WeakPolarHBondContact O-CB 3.45Å; L108-L112 PolarHBondContact O-N 2.97Å; E109-L112 PolarHBondContact O-N 2.91Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L112-A114 VanDerWaalsContact C-N 3.3Å; L112-A114 PolarHBondContact O-N 2.83Å; L112-V115 PolarHBondContact O-N 2.89Å; L112-E116 HydrophobicContact CD1-CG 3.84Å; L112-E116 WeakPolarHBondContact CD1-OE1 3.31Å; L112-E116 HydrophobicContact CG-CG 4.32Å; L112-E116 WeakPolarHBondContact O-CB 3.42Å; L112-E116 WeakPolarHBondContact O-CG 3.28Å; L112-E116 PolarHBondContact O-N 3.38Å |
| 113 | Q | 96.3 | Very high | 93.1 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 48% | 0.477 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 175 | -173.1 | -176.1 | 17.1 | 0 | 0 | 111.3 | E109 L110 S117 T123 | E109-Q113 WeakPolarHBondContact O-CB 3.33Å; E109-Q113 PolarHBondContact O-N 2.93Å; L110-Q113 PolarHBondContact O-N 2.83Å; Q113-S117 VanDerWaalsContact O-CB 3.32Å; Q113-S117 WeakPolarHBondContact O-CB 3.4Å; Q113-S117 PolarHBondContact O-N 3.43Å; Q113-T123 HydrophobicContact CG-CG2 4.07Å |
| 114 | A | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L110 L111 L112 S117 T123 N194 H196 | L110-A114 WeakPolarHBondContact O-CB 3.34Å; L110-A114 PolarHBondContact O-N 2.77Å; L111-A114 PolarHBondContact O-N 2.78Å; L112-A114 VanDerWaalsContact C-N 3.3Å; L112-A114 PolarHBondContact O-N 2.83Å; A114-S117 PolarHBondContact O-N 3.04Å; A114-S117 PolarHBondContact O-OG 3.09Å; A114-T123 HydrophobicContact CB-CG2 4.44Å; A114-N194 WeakPolarHBondContact CB-ND2 3.45Å; A114-N194 WeakPolarHBondContact CB-OD1 3.5Å; A114-H196 PolarHBondContact O-CD2 2.85Å; A114-H196 PolarHBondContact O-NE2 2.81Å |
| 115 | V | 95.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.5 | -42.6 | -177.6 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | L13 S16 L111 L112 S117 R118 F163 | L13-V115 HydrophobicContact CD2-CG2 4.38Å; S16-V115 VanDerWaalsContact CB-CG1 3.49Å; S16-V115 WeakPolarHBondContact O-CG1 3.41Å; L111-V115 HydrophobicContact CD1-CG2 4.06Å; L111-V115 HydrophobicContact CG-CG2 4.4Å; L111-V115 VanDerWaalsContact O-CG2 3.3Å; L111-V115 WeakPolarHBondContact O-CG2 3.38Å; L111-V115 PolarHBondContact O-N 3.4Å; L112-V115 PolarHBondContact O-N 2.89Å; V115-S117 VanDerWaalsContact C-N 3.33Å; V115-S117 PolarHBondContact O-N 3.3Å; V115-R118 PolarHBondContact O-N 2.85Å; V115-F163 HydrophobicContact CB-CD1 4.4Å; V115-F163 HydrophobicContact CG1-CB 4.23Å; V115-F163 HydrophobicContact CG1-CD1 3.71Å; V115-F163 HydrophobicContact CG1-CE1 4.44Å; V115-F163 HydrophobicContact CG1-CG 4.18Å; V115-F163 HydrophobicContact CG2-CB 3.85Å; V115-F163 HydrophobicContact CG2-CD1 3.78Å; V115-F163 HydrophobicContact CG2-CD2 4Å; V115-F163 HydrophobicContact CG2-CE1 4.35Å; V115-F163 HydrophobicContact CG2-CG 3.59Å |
| 116 | E | 93.9 | Very high | 93.2 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -71.8 | -26 | 179.7 | -71.6 | -179.6 | 159.8 | 0 | 0 | 112.8 | R12 L112 R118 | R12-E116 IonicContact CZ-OE1 3.72Å; R12-E116 IonicContact CZ-OE2 3.11Å; R12-E116 IonicContact NE-OE1 3.46Å; R12-E116 PolarHBondContact NE-OE1 3.07Å; R12-E116 VanDerWaalsContact NE-OE1 3.11Å; R12-E116 IonicContact NH2-OE1 2.69Å; R12-E116 PolarHBondContact NH2-OE1 3.3Å; R12-E116 IonicContact NH2-OE2 3.34Å; R12-E116 PolarHBondContact NH2-OE2 3.42Å; L112-E116 HydrophobicContact CD1-CG 3.84Å; L112-E116 WeakPolarHBondContact CD1-OE1 3.31Å; L112-E116 HydrophobicContact CG-CG 4.32Å; L112-E116 WeakPolarHBondContact O-CB 3.42Å; L112-E116 WeakPolarHBondContact O-CG 3.28Å; L112-E116 PolarHBondContact O-N 3.38Å; E116-R118 PolarHBondContact O-N 2.85Å |
| 117 | S | 90.7 | Very high | 93.1 | Very high | 25 Ų | 25 | 44.5 Ų | 44.5 | 18% | 0.175 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.1 | -19.7 | 174.4 | 80.1 | 0 | 0 | 0 | 0 | 113 | Q113 A114 V115 G119 G120 T121 | Q113-S117 VanDerWaalsContact O-CB 3.32Å; Q113-S117 WeakPolarHBondContact O-CB 3.4Å; Q113-S117 PolarHBondContact O-N 3.43Å; A114-S117 PolarHBondContact O-N 3.04Å; A114-S117 PolarHBondContact O-OG 3.09Å; V115-S117 VanDerWaalsContact C-N 3.33Å; V115-S117 PolarHBondContact O-N 3.3Å; S117-G119 PolarHBondContact O-N 3.19Å; S117-G119 VanDerWaalsContact O-N 3.07Å; S117-G119 PolarHBondContact OG-N 3.09Å; S117-G120 PolarHBondContact O-N 3.4Å; S117-T121 WeakPolarHBondContact CB-OG1 3.18Å |
| 118 | R | 87.8 | Confident | 92.9 | Very high | 215 Ų | 215 | 42.6 Ų | 42.6 | 81% | 0.811 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 28.7 | -176 | -58.1 | -177.2 | 176.3 | -154.5 | -2.7 | 113.1 | V115 E116 G120 | V115-R118 PolarHBondContact O-N 2.85Å; E116-R118 PolarHBondContact O-N 2.85Å; R118-G120 VanDerWaalsContact C-N 3.26Å; R118-G120 PolarHBondContact O-N 2.83Å |
| 119 | G | 83.6 | Confident | 92.4 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 7.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S117 H196 | S117-G119 PolarHBondContact O-N 3.19Å; S117-G119 VanDerWaalsContact O-N 3.07Å; S117-G119 PolarHBondContact OG-N 3.09Å; G119-H196 PolarHBondContact N-CE1 2.91Å; G119-H196 PolarHBondContact N-ND1 2.96Å |
| 120 | G | 81.6 | Confident | 91.1 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -73 | -40.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | S117 R118 L290 C319 R335 | S117-G120 PolarHBondContact O-N 3.4Å; R118-G120 VanDerWaalsContact C-N 3.26Å; R118-G120 PolarHBondContact O-N 2.83Å; G120-L290 WeakPolarHBondContact O-CD1 3.35Å; G120-C319 WeakPolarHBondContact CA-SG 3.04Å; G120-R335 PolarHBondContact O-NH2 3.37Å |
| 121 | T | 85.1 | Confident | 89.7 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 33% | 0.331 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -108.4 | 148.6 | 175.1 | 63.6 | 0 | 0 | 0 | 0 | 111.3 | S117 T123 | S117-T121 WeakPolarHBondContact CB-OG1 3.18Å; T121-T123 PolarHBondContact O-N 3.33Å |
| 122 | R | 87.8 | Confident | 88 | Confident | 155 Ų | 155 | 56 Ų | 56 | 59% | 0.585 | 28% | 0.275 | S | S | * | . | trans | -67.2 | 130.4 | 170.9 | -69.6 | -172.8 | 176.2 | -148.9 | 0.3 | 109.1 | D285 | R122-D285 IonicContact CZ-OD2 2.78Å; R122-D285 IonicContact NE-OD2 2.7Å; R122-D285 PolarHBondContact NE-OD2 2.91Å; R122-D285 IonicContact NH2-OD2 3.45Å; R122-D285 PolarHBondContact NH2-OD2 3.31Å | ||
| 123 | T | 93.4 | Very high | 86 | Confident | 16 Ų | 16 | 61.9 Ų | 61.9 | 10% | 0.098 | 31% | 0.307 | C | S | . | . | trans | -126.3 | 151.2 | 178.4 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | Q113 A114 T121 N194 H197 | Q113-T123 HydrophobicContact CG-CG2 4.07Å; A114-T123 HydrophobicContact CB-CG2 4.44Å; T121-T123 PolarHBondContact O-N 3.33Å; T123-N194 PolarHBondContact OG1-ND2 3.27Å; T123-H197 PolarHBondContact O-CE1 2.83Å; T123-H197 VanDerWaalsContact O-CE1 3.27Å; T123-H197 PolarHBondContact O-NE2 3.46Å | ||
| 124 | A | 95.4 | Very high | 83.8 | Confident | 48 Ų | 48 | 58.8 Ų | 58.8 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | trans | -65.6 | 162.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L110 N194 | L110-A124 HydrophobicContact CD2-CB 4.23Å; A124-N194 PolarHBondContact O-ND2 2.9Å | ||
| 125 | C | 95.6 | Very high | 81.7 | Confident | 12 Ų | 12 | 69.1 Ų | 69.1 | 8% | 0.081 | 34% | 0.335 | C | S | . | . | trans | -64.8 | 136.7 | 172.7 | -72.6 | 0 | 0 | 0 | 0 | 111 | L127 E181 C192 H197 | C125-L127 HydrophobicContact CB-CD2 3.98Å; C125-L127 HydrophobicContact CB-CG 4.14Å; C125-E181 PolarHBondContact SG-N 3.07Å; C125-C192 HydrophobicContact CB-CB 4.41Å; C125-H197 VanDerWaalsContact SG-CE1 3.57Å | ||
| 126 | L | 95.6 | Very high | 79.3 | Confident | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | trans | -97.6 | 86.7 | 168.8 | 177.9 | 63.6 | 0 | 0 | 0 | 108.5 | Q107 L111 L128 L159 C192 C193 N194 | Q107-L126 HydrophobicContact CB-CD1 3.84Å; Q107-L126 HydrophobicContact CG-CD1 4.08Å; L111-L126 HydrophobicContact CB-CD2 3.91Å; L111-L126 HydrophobicContact CD1-CD2 3.87Å; L111-L126 HydrophobicContact CD2-CD2 4.4Å; L111-L126 HydrophobicContact CG-CD2 4.26Å; L126-L128 HydrophobicContact CD1-CD1 4.38Å; L126-L128 HydrophobicContact CD1-CD2 4.26Å; L126-L128 HydrophobicContact CD1-CG 4.31Å; L126-L128 HydrophobicContact CD2-CD1 3.94Å; L126-L128 HydrophobicContact CG-CD1 3.87Å; L126-L128 HydrophobicContact CG-CD2 4.48Å; L126-L128 HydrophobicContact CG-CG 3.99Å; L126-L128 PolarHBondContact O-N 3.05Å; L126-L159 HydrophobicContact CD2-CD1 4.37Å; L126-C192 CarbonylContact O-C 3.59Å; L126-C192 WeakPolarHBondContact O-CA 3.36Å; L126-C193 HydrophobicContact CD2-CB 4.18Å; L126-C193 HydrophobicContact CG-CB 4.28Å; L126-C193 WeakPolarHBondContact O-CB 3.34Å; L126-C193 PolarHBondContact O-N 3.45Å; L126-N194 HydrophobicContact CB-CB 4.24Å | ||
| 127 | L | 94.4 | Very high | 76.7 | Confident | 67 Ų | 67 | 72.8 Ų | 72.8 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 119 | -178.1 | -59.8 | -178.6 | 0 | 0 | 0 | 110.7 | C125 L190 C192 | C125-L127 HydrophobicContact CB-CD2 3.98Å; C125-L127 HydrophobicContact CB-CG 4.14Å; L127-L190 HydrophobicContact CB-CB 4.34Å; L127-L190 HydrophobicContact CB-CD1 4.41Å; L127-C192 HydrophobicContact CD2-CB 4.06Å |
| 128 | L | 91.9 | Very high | 74.5 | Confident | 5 Ų | 5 | 78.5 Ų | 78.5 | 3% | 0.026 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 156.3 | -178.9 | -59.1 | 175.8 | 0 | 0 | 0 | 110.5 | L103 Q107 L126 G130 L155 L190 V191 C193 | L103-L128 HydrophobicContact CD2-CD1 3.68Å; L103-L128 HydrophobicContact CD2-CD2 3.53Å; L103-L128 HydrophobicContact CD2-CG 4.3Å; Q107-L128 HydrophobicContact CG-CD2 4.4Å; Q107-L128 VanDerWaalsContact NE2-CD2 3.27Å; L126-L128 HydrophobicContact CD1-CD1 4.38Å; L126-L128 HydrophobicContact CD1-CD2 4.26Å; L126-L128 HydrophobicContact CD1-CG 4.31Å; L126-L128 HydrophobicContact CD2-CD1 3.94Å; L126-L128 HydrophobicContact CG-CD1 3.87Å; L126-L128 HydrophobicContact CG-CD2 4.48Å; L126-L128 HydrophobicContact CG-CG 3.99Å; L126-L128 PolarHBondContact O-N 3.05Å; L128-G130 PolarHBondContact O-N 3.12Å; L128-L155 HydrophobicContact CB-CD2 3.59Å; L128-L155 HydrophobicContact CD1-CD2 3.55Å; L128-L155 HydrophobicContact CD1-CG 4.28Å; L128-L155 HydrophobicContact CG-CD2 4.2Å; L128-L190 WeakPolarHBondContact O-CA 3.35Å; L128-V191 PolarHBondContact N-O 3.36Å; L128-V191 PolarHBondContact O-N 3.46Å; L128-C193 HydrophobicContact CB-CB 4.46Å; L128-C193 HydrophobicContact CD1-CB 3.73Å; L128-C193 HydrophobicContact CG-CB 4.22Å |
| 129 | P | 87.2 | Confident | 72.2 | Confident | 60 Ų | 60 | 71.8 Ų | 71.8 | 39% | 0.39 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 130.1 | 173.1 | -25.9 | 35.4 | 0 | 0 | 0 | 112.1 | R131 E189 L190 | P129-R131 PolarHBondContact O-N 2.85Å; P129-E189 WeakPolarHBondContact CA-O 3.26Å; P129-L190 HydrophobicContact CG-CD2 4.45Å |
| 130 | G | 69.9 | Low | 70 | Confident | 24 Ų | 24 | 75.8 Ų | 75.8 | 25% | 0.247 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -62.3 | -26.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | L128 | L128-G130 PolarHBondContact O-N 3.12Š|
| 131 | R | 67.5 | Low | 67.8 | Low | 226 Ų | 226 | 80.5 Ų | 80.5 | 85% | 0.853 | 46% | 0.464 | S | S | * | . | trans | -120.8 | 112.5 | 166.2 | -68 | -167.9 | 179.4 | -156.1 | 1.1 | 108.7 | P129 | P129-R131 PolarHBondContact O-N 2.85Š| ||
| 132 | L | 62 | Low | 65.5 | Low | 48 Ų | 48 | 83.3 Ų | 83.3 | 25% | 0.251 | 49% | 0.492 | S | S | . | . | trans | -94.5 | 122 | 161.8 | -158.5 | 66.4 | 0 | 0 | 0 | 105.5 | V99 K102 C134 | V99-L132 HydrophobicContact CG2-CD2 4.15Å; K102-L132 HydrophobicContact CB-CD2 4.1Å; K102-L132 HydrophobicContact CD-CD1 4.17Å; K102-L132 HydrophobicContact CD-CD2 3.5Å; K102-L132 HydrophobicContact CD-CG 3.81Å; K102-L132 HydrophobicContact CG-CD2 4.43Å; L132-C134 PolarHBondContact O-N 2.88Å; L132-C134 PolarHBondContact O-SG 2.89Å; L132-C134 VanDerWaalsContact O-SG 3.39Å | ||
| 133 | D | 53.6 | Low | 63.3 | Low | 131 Ų | 131 | 80.8 Ų | 80.8 | 70% | 0.701 | 50% | 0.498 | S | S | * | . | trans | -60.8 | 91.9 | 175.3 | -74.6 | -44.4 | 0 | 0 | 0 | 109 | K102 R135 | K102-D133 PolarHBondContact NZ-O 2.84Å; D133-R135 VanDerWaalsContact C-N 3.34Å | ||
| 134 | C | 51 | Low | 60.6 | Low | 36 Ų | 36 | 84.7 Ų | 84.7 | 24% | 0.243 | 53% | 0.532 | C | S | . | . | trans | -103.7 | 57 | 177.5 | -66.8 | 0 | 0 | 0 | 0 | 108.1 | L95 L132 L136 | L95-C134 HydrophobicContact CD1-CB 3.24Å; L132-C134 PolarHBondContact O-N 2.88Å; L132-C134 PolarHBondContact O-SG 2.89Å; L132-C134 VanDerWaalsContact O-SG 3.39Å; C134-L136 PolarHBondContact O-N 3.08Å | ||
| 135 | R | 51.4 | Low | 57.7 | Low | 218 Ų | 218 | 90.8 Ų | 90.8 | 82% | 0.823 | 55% | 0.553 | S | S | * | * | trans | -66.5 | 123.5 | 164.4 | -67 | -171.8 | 177.6 | -123.6 | 1.9 | 107.6 | D133 G137 | D133-R135 VanDerWaalsContact C-N 3.34Å; R135-G137 PolarHBondContact O-N 3.23Å | ||
| 136 | L | 45.7 | Very low | 55.1 | Low | 108 Ų | 108 | 96.5 Ų | 96.5 | 57% | 0.565 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -67.2 | 96.9 | 167.8 | -73.3 | 161.4 | 0 | 0 | 0 | 107.6 | A94 C134 | A94-L136 HydrophobicContact CB-CD2 4.21Å; C134-L136 PolarHBondContact O-N 3.08Å |
| 137 | G | 40.6 | Very low | 52.5 | Low | 55 Ų | 55 | 100.6 Ų | 100.6 | 57% | 0.567 | 62% | 0.624 | S | S | * | * | trans | 78.3 | 140 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | R135 | R135-G137 PolarHBondContact O-N 3.23Š| ||
| 138 | P | 43.4 | Very low | 49.9 | Very low | 144 Ų | 144 | 105.4 Ų | 105.4 | 94% | 0.935 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -86.4 | 110 | 156.2 | 27.8 | -17.2 | 0 | 0 | 0 | 108.7 | ||
| 139 | G | 40.4 | Very low | 47.3 | Very low | 75 Ų | 75 | 110.3 Ų | 110.3 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | trans | 156.4 | 5.1 | 174 | 0 | 0 | 0 | 0 | 0 | 119.1 | P141 | G139-P141 WeakPolarHBondContact O-CD 3.24Š| ||
| 140 | A | 36.2 | Very low | 45.6 | Very low | 95 Ų | 95 | 112.7 Ų | 112.7 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | trans | -81.2 | 120.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 141 | P | 34.8 | Very low | 44.9 | Very low | 111 Ų | 111 | 114.8 Ų | 114.8 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | trans | -61.8 | 141.5 | 176.5 | 24.9 | -31.5 | 0 | 0 | 0 | 110.1 | G139 S143 | G139-P141 WeakPolarHBondContact O-CD 3.24Å; P141-S143 PolarHBondContact O-N 3.27Å | ||
| 142 | A | 38 | Very low | 44.9 | Very low | 112 Ų | 112 | 109.6 Ų | 109.6 | 93% | 0.926 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -71.1 | 69.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 143 | S | 42.2 | Very low | 45.6 | Very low | 102 Ų | 102 | 110.4 Ų | 110.4 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | trans | -165.6 | 83.1 | 169.9 | 59.6 | 0 | 0 | 0 | 0 | 111.6 | P141 | P141-S143 PolarHBondContact O-N 3.27Š| ||
| 144 | A | 36.6 | Very low | 47.2 | Very low | 98 Ų | 98 | 106.7 Ų | 106.7 | 81% | 0.81 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -168.1 | 143.1 | 150.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 145 | Q | 33.8 | Very low | 49 | Very low | 177 Ų | 177 | 105.3 Ų | 105.3 | 83% | 0.827 | 68% | 0.676 | S | S | * | * | trans | -42.3 | 158.2 | -177.8 | -90.6 | 137.6 | -45.1 | 0 | 0 | 116.2 | A147 | Q145-A147 PolarHBondContact O-N 3.29Š| ||
| 146 | P | 41.6 | Very low | 51 | Low | 132 Ų | 132 | 95.6 Ų | 95.6 | 86% | 0.857 | 64% | 0.641 | S | S | * | * | trans | -72.8 | 75.1 | 175.5 | 32.6 | -33.5 | 0 | 0 | 0 | 110.6 | Q148 | P146-Q148 PolarHBondContact O-N 3.18Š| ||
| 147 | A | 41.2 | Very low | 53.2 | Low | 89 Ų | 89 | 91.2 Ų | 91.2 | 74% | 0.736 | 62% | 0.618 | S | S | * | * | trans | -83.9 | 91.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q145 | Q145-A147 PolarHBondContact O-N 3.29Š| ||
| 148 | Q | 38.1 | Very low | 55.7 | Low | 168 Ų | 168 | 88.8 Ų | 88.8 | 79% | 0.785 | 59% | 0.592 | S | S | * | * | S | Bend | trans | 60.1 | 127.6 | 172.8 | -60.7 | -71.4 | -26 | 0 | 0 | 115.3 | P146 | P146-Q148 PolarHBondContact O-N 3.18Š|
| 149 | P | 38.6 | Very low | 58.1 | Low | 108 Ų | 108 | 81.9 Ų | 81.9 | 70% | 0.701 | 55% | 0.547 | S | S | * | . | trans | -60.2 | 135.8 | 173.4 | 25.9 | -31.2 | 0 | 0 | 0 | 109 | S151 | P149-S151 PolarHBondContact O-N 2.97Š| ||
| 150 | P | 51.7 | Low | 60.7 | Low | 109 Ų | 109 | 78.3 Ų | 78.3 | 71% | 0.708 | 51% | 0.51 | S | S | * | . | trans | -53.2 | 131 | 171.5 | 22.6 | -31.6 | 0 | 0 | 0 | 107.3 | S152 | P150-S152 VanDerWaalsContact C-N 3.3Å; P150-S152 PolarHBondContact O-N 3.15Å | ||
| 151 | S | 55.5 | Low | 63.4 | Low | 69 Ų | 69 | 75.2 Ų | 75.2 | 48% | 0.483 | 48% | 0.479 | S | S | . | . | trans | -52.7 | 92.1 | -174.6 | 56.3 | 0 | 0 | 0 | 0 | 110.4 | P149 Y153 | P149-S151 PolarHBondContact O-N 2.97Å; S151-Y153 VanDerWaalsContact C-N 3.27Å; S151-Y153 WeakPolarHBondContact O-CD2 3.37Å; S151-Y153 PolarHBondContact O-N 3.46Å; S151-Y153 VanDerWaalsContact OG-CE2 3.3Å; S151-Y153 WeakPolarHBondContact OG-CE2 3.14Å | ||
| 152 | S | 67.4 | Low | 66.3 | Low | 116 Ų | 116 | 70.5 Ų | 70.5 | 81% | 0.811 | 45% | 0.448 | S | S | * | . | trans | -81.9 | 82.1 | -176.9 | -171.9 | 0 | 0 | 0 | 0 | 107.3 | P150 S154 | P150-S152 VanDerWaalsContact C-N 3.3Å; P150-S152 PolarHBondContact O-N 3.15Å; S152-S154 PolarHBondContact O-N 3.27Å | ||
| 153 | Y | 75.4 | Confident | 69 | Low | 66 Ų | 66 | 65.7 Ų | 65.7 | 26% | 0.259 | 41% | 0.406 | S | S | . | . | trans | -65.9 | 131.4 | 171.9 | -64.4 | -74.9 | 0 | 0 | 0 | 108.8 | L92 L95 S151 L157 K161 | L92-Y153 HydrophobicContact CD1-CD2 4.37Å; L92-Y153 HydrophobicContact CD1-CE2 4.14Å; L95-Y153 HydrophobicContact CD2-CD2 4.02Å; S151-Y153 VanDerWaalsContact C-N 3.27Å; S151-Y153 WeakPolarHBondContact O-CD2 3.37Å; S151-Y153 PolarHBondContact O-N 3.46Å; S151-Y153 VanDerWaalsContact OG-CE2 3.3Å; S151-Y153 WeakPolarHBondContact OG-CE2 3.14Å; Y153-L157 HydrophobicContact CD1-CD2 3.81Å; Y153-L157 HydrophobicContact CD1-CG 4.04Å; Y153-K161 HydrophobicContact CE1-CD 4.04Å | ||
| 154 | S | 87.3 | Confident | 71.6 | Confident | 52 Ų | 52 | 62.5 Ų | 62.5 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | trans | -60.2 | 148.9 | 163.4 | 71.5 | 0 | 0 | 0 | 0 | 109 | S152 P156 L157 L158 | S152-S154 PolarHBondContact O-N 3.27Å; S154-P156 VanDerWaalsContact C-CD 3.5Å; S154-P156 VanDerWaalsContact C-N 3.35Å; S154-L157 WeakPolarHBondContact O-CB 3.41Å; S154-L157 PolarHBondContact O-N 2.92Å; S154-L157 VanDerWaalsContact OG-CB 3.26Å; S154-L157 WeakPolarHBondContact OG-CB 3.16Å; S154-L157 PolarHBondContact OG-N 3.37Å; S154-L158 PolarHBondContact O-N 2.83Å | ||
| 155 | L | 90.1 | Very high | 74.3 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.4 | -40.5 | -175.9 | -174.4 | 57.4 | 0 | 0 | 0 | 113.6 | V99 L128 L157 L158 L159 C193 | V99-L155 HydrophobicContact CB-CD1 4.34Å; V99-L155 HydrophobicContact CG1-CD1 3.5Å; V99-L155 HydrophobicContact CG2-CD1 3.86Å; L128-L155 HydrophobicContact CB-CD2 3.59Å; L128-L155 HydrophobicContact CD1-CD2 3.55Å; L128-L155 HydrophobicContact CD1-CG 4.28Å; L128-L155 HydrophobicContact CG-CD2 4.2Å; L155-L157 PolarHBondContact O-N 2.9Å; L155-L158 HydrophobicContact CD1-CD2 4.4Å; L155-L159 HydrophobicContact CD1-CD1 4.32Å; L155-L159 HydrophobicContact CD1-CG 4.32Å; L155-L159 HydrophobicContact CG-CD1 4.44Å; L155-L159 WeakPolarHBondContact O-CG 3.18Å; L155-L159 PolarHBondContact O-N 2.9Å; L155-L159 VanDerWaalsContact O-N 3.17Å; L155-C193 HydrophobicContact CG-CB 4.37Å |
| 156 | P | 92.5 | Very high | 77.2 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 172.2 | -21.9 | 33.3 | 0 | 0 | 0 | 113 | S154 L159 C160 V191 L198 | S154-P156 VanDerWaalsContact C-CD 3.5Å; S154-P156 VanDerWaalsContact C-N 3.35Å; P156-L159 PolarHBondContact O-N 3.35Å; P156-C160 WeakPolarHBondContact O-CB 3.47Å; P156-C160 PolarHBondContact O-N 3.07Å; P156-V191 HydrophobicContact CG-CG1 3.56Å; P156-L198 HydrophobicContact CB-CD1 3.99Å |
| 157 | L | 91.8 | Very high | 79.5 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.8 | -44.2 | -179.2 | -175.3 | 63.8 | 0 | 0 | 0 | 111.1 | Y153 S154 L155 C160 K161 L168 | Y153-L157 HydrophobicContact CD1-CD2 3.81Å; Y153-L157 HydrophobicContact CD1-CG 4.04Å; S154-L157 WeakPolarHBondContact O-CB 3.41Å; S154-L157 PolarHBondContact O-N 2.92Å; S154-L157 VanDerWaalsContact OG-CB 3.26Å; S154-L157 WeakPolarHBondContact OG-CB 3.16Å; S154-L157 PolarHBondContact OG-N 3.37Å; L155-L157 PolarHBondContact O-N 2.9Å; L157-C160 PolarHBondContact O-N 2.85Å; L157-K161 WeakPolarHBondContact O-CB 3.41Å; L157-K161 PolarHBondContact O-N 2.93Å; L157-L168 HydrophobicContact CD1-CD2 3.44Å; L157-L168 VanDerWaalsContact CD1-CD2 3.44Å; L157-L168 HydrophobicContact CD1-CG 3.71Å |
| 158 | L | 92.3 | Very high | 81.9 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.7 | -51.7 | 175.5 | 175.9 | 63.5 | 0 | 0 | 0 | 111.8 | L92 L95 V99 S154 L155 K161 V162 | L92-L158 HydrophobicContact CD1-CD1 3.4Å; L92-L158 HydrophobicContact CG-CD1 4.44Å; L95-L158 HydrophobicContact CD2-CD1 3.8Å; L95-L158 HydrophobicContact CD2-CD2 4.01Å; L95-L158 HydrophobicContact CD2-CG 4.49Å; L95-L158 HydrophobicContact CG-CD1 4.1Å; L95-L158 HydrophobicContact CG-CD2 3.75Å; V99-L158 HydrophobicContact CG2-CD2 3.76Å; S154-L158 PolarHBondContact O-N 2.83Å; L155-L158 HydrophobicContact CD1-CD2 4.4Å; L158-K161 PolarHBondContact O-N 3.1Å; L158-V162 HydrophobicContact CD1-CG2 4.35Å; L158-V162 WeakPolarHBondContact O-CG2 3.21Å; L158-V162 PolarHBondContact O-N 3.03Å |
| 159 | L | 94.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70 | -35.1 | -176.9 | -60.3 | 175.5 | 0 | 0 | 0 | 111.9 | V99 L111 L126 L155 P156 K161 V162 F163 C193 P195 | V99-L159 HydrophobicContact CG1-CD2 4.46Å; L111-L159 HydrophobicContact CD2-CD2 4.43Å; L126-L159 HydrophobicContact CD2-CD1 4.37Å; L155-L159 HydrophobicContact CD1-CD1 4.32Å; L155-L159 HydrophobicContact CD1-CG 4.32Å; L155-L159 HydrophobicContact CG-CD1 4.44Å; L155-L159 WeakPolarHBondContact O-CG 3.18Å; L155-L159 PolarHBondContact O-N 2.9Å; L155-L159 VanDerWaalsContact O-N 3.17Å; P156-L159 PolarHBondContact O-N 3.35Å; L159-K161 VanDerWaalsContact C-N 3.35Å; L159-V162 PolarHBondContact O-N 2.93Å; L159-F163 HydrophobicContact CB-CD2 4.21Å; L159-F163 HydrophobicContact CD2-CD2 4.38Å; L159-F163 HydrophobicContact CD2-CE2 3.83Å; L159-F163 WeakPolarHBondContact O-CB 3.44Å; L159-F163 VanDerWaalsContact O-CD2 3.25Å; L159-F163 WeakPolarHBondContact O-CD2 3.3Å; L159-F163 PolarHBondContact O-N 2.63Å; L159-C193 HydrophobicContact CD1-CB 3.8Å; L159-C193 VanDerWaalsContact CD1-O 3.28Å; L159-C193 WeakPolarHBondContact CD1-O 3.47Å; L159-P195 HydrophobicContact CB-CG 3.98Å |
| 160 | C | 95.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 170 | -82.1 | 0 | 0 | 0 | 0 | 112 | P156 L157 V162 R164 W165 L168 L198 | P156-C160 WeakPolarHBondContact O-CB 3.47Å; P156-C160 PolarHBondContact O-N 3.07Å; L157-C160 PolarHBondContact O-N 2.85Å; C160-V162 VanDerWaalsContact C-N 3.34Å; C160-V162 PolarHBondContact O-N 2.84Å; C160-R164 WeakPolarHBondContact O-CA 3.44Å; C160-R164 WeakPolarHBondContact O-CB 3.49Å; C160-R164 PolarHBondContact O-N 3.02Å; C160-W165 HydrophobicContact CB-CE3 4.27Å; C160-W165 HydrophobicContact CB-CZ3 4.46Å; C160-W165 PolarHBondContact O-N 3.03Å; C160-L168 HydrophobicContact CB-CD2 3.75Å; C160-L198 WeakPolarHBondContact SG-CD1 3.2Å |
| 161 | K | 93.9 | Very high | 88.5 | Confident | 29 Ų | 29 | 46.2 Ų | 46.2 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62 | -42.1 | 179.3 | -166.3 | 174.8 | 179.3 | 67.5 | 0 | 111.9 | L92 Y153 L157 L158 L159 W165 P166 L168 | L92-K161 HydrophobicContact CD1-CD 4.08Å; L92-K161 HydrophobicContact CD2-CD 4.14Å; L92-K161 HydrophobicContact CD2-CG 4.25Å; Y153-K161 HydrophobicContact CE1-CD 4.04Å; L157-K161 WeakPolarHBondContact O-CB 3.41Å; L157-K161 PolarHBondContact O-N 2.93Å; L158-K161 PolarHBondContact O-N 3.1Å; L159-K161 VanDerWaalsContact C-N 3.35Å; K161-W165 WeakPolarHBondContact CA-O 3.37Å; K161-W165 CarbonylContact O-C 3.6Å; K161-P166 WeakPolarHBondContact CE-O 3.35Å; K161-P166 PolarHBondContact NZ-O 2.64Å; K161-P166 VanDerWaalsContact O-CA 3.29Å; K161-P166 WeakPolarHBondContact O-CA 3.4Å; K161-L168 PolarHBondContact NZ-O 2.87Å |
| 162 | V | 94.8 | Very high | 90.2 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75 | -44.3 | -179 | 175 | 0 | 0 | 0 | 0 | 112.9 | W14 R17 A18 L92 T96 L158 L159 C160 | W14-V162 HydrophobicContact CZ3-CG1 4.49Å; R17-V162 HydrophobicContact CB-CG1 4.17Å; A18-V162 PolarHBondContact N-O 2.89Å; L92-V162 HydrophobicContact CD1-CG2 4.5Å; L92-V162 HydrophobicContact CD2-CG2 4.41Å; L92-V162 HydrophobicContact CG-CG2 4.28Å; T96-V162 HydrophobicContact CG2-CG1 4.23Å; T96-V162 HydrophobicContact CG2-CG2 4.12Å; T96-V162 VanDerWaalsContact OG1-CG2 3.29Å; T96-V162 WeakPolarHBondContact OG1-CG2 3.36Å; L158-V162 HydrophobicContact CD1-CG2 4.35Å; L158-V162 WeakPolarHBondContact O-CG2 3.21Å; L158-V162 PolarHBondContact O-N 3.03Å; L159-V162 PolarHBondContact O-N 2.93Å; C160-V162 VanDerWaalsContact C-N 3.34Å; C160-V162 PolarHBondContact O-N 2.84Å |
| 163 | F | 95.9 | Very high | 91.5 | Very high | 11 Ų | 11 | 42.8 Ų | 42.8 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -99.3 | -12 | -169 | -64 | -64.1 | 0 | 0 | 0 | 114.5 | L13 L111 V115 L159 P195 | L13-F163 HydrophobicContact CB-CE1 4.33Å; L13-F163 HydrophobicContact CB-CZ 4.34Å; L13-F163 HydrophobicContact CD2-CE1 4.27Å; L13-F163 HydrophobicContact CD2-CZ 4.16Å; L13-F163 WeakPolarHBondContact O-CE1 3.07Å; L111-F163 HydrophobicContact CD1-CE2 4.39Å; L111-F163 HydrophobicContact CD2-CE2 4.06Å; L111-F163 HydrophobicContact CD2-CZ 4.43Å; L111-F163 HydrophobicContact CG-CE2 4.49Å; V115-F163 HydrophobicContact CB-CD1 4.4Å; V115-F163 HydrophobicContact CG1-CB 4.23Å; V115-F163 HydrophobicContact CG1-CD1 3.71Å; V115-F163 HydrophobicContact CG1-CE1 4.44Å; V115-F163 HydrophobicContact CG1-CG 4.18Å; V115-F163 HydrophobicContact CG2-CB 3.85Å; V115-F163 HydrophobicContact CG2-CD1 3.78Å; V115-F163 HydrophobicContact CG2-CD2 4Å; V115-F163 HydrophobicContact CG2-CE1 4.35Å; V115-F163 HydrophobicContact CG2-CG 3.59Å; L159-F163 HydrophobicContact CB-CD2 4.21Å; L159-F163 HydrophobicContact CD2-CD2 4.38Å; L159-F163 HydrophobicContact CD2-CE2 3.83Å; L159-F163 WeakPolarHBondContact O-CB 3.44Å; L159-F163 VanDerWaalsContact O-CD2 3.25Å; L159-F163 WeakPolarHBondContact O-CD2 3.3Å; L159-F163 PolarHBondContact O-N 2.63Å; F163-P195 HydrophobicContact CB-CB 4.45Å; F163-P195 HydrophobicContact CB-CG 4.22Å; F163-P195 HydrophobicContact CD2-CG 4.11Å |
| 164 | R | 95.1 | Very high | 92.4 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.1 | -55.8 | -176.2 | -60.7 | -171 | 67.5 | -179.4 | 2.9 | 114 | C160 P195 L198 Y333 | C160-R164 WeakPolarHBondContact O-CA 3.44Å; C160-R164 WeakPolarHBondContact O-CB 3.49Å; C160-R164 PolarHBondContact O-N 3.02Å; R164-P195 WeakPolarHBondContact CD-O 3.25Å; R164-P195 HydrophobicContact CG-CB 3.95Å; R164-P195 PolarHBondContact NH1-O 3.44Å; R164-L198 PolarHBondContact NH1-O 3.12Å; R164-Y333 PolarHBondContact NH2-OH 2.9Å |
| 165 | W | 94.8 | Very high | 92.8 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 8% | 0.076 | 20% | 0.204 | C | C | . | . | trans | -133 | 85.8 | -166.8 | -56.3 | -54.3 | 0 | 0 | 0 | 111.4 | C160 K161 D167 L168 V174 R200 G363 | C160-W165 HydrophobicContact CB-CE3 4.27Å; C160-W165 HydrophobicContact CB-CZ3 4.46Å; C160-W165 PolarHBondContact O-N 3.03Å; K161-W165 WeakPolarHBondContact CA-O 3.37Å; K161-W165 CarbonylContact O-C 3.6Å; W165-D167 PolarHBondContact O-N 2.83Å; W165-D167 VanDerWaalsContact O-N 3.12Å; W165-L168 HydrophobicContact CB-CB 3.95Å; W165-L168 HydrophobicContact CE3-CD2 4.19Å; W165-L168 WeakPolarHBondContact O-CB 3.43Å; W165-L168 PolarHBondContact O-N 2.73Å; W165-V174 HydrophobicContact CE3-CG1 4.15Å; W165-V174 HydrophobicContact CZ3-CG1 3.75Å; W165-R200 HydrophobicContact CD2-CB 4.34Å; W165-R200 HydrophobicContact CE3-CB 4.42Å; W165-R200 HydrophobicContact CH2-CB 4.06Å; W165-R200 VanDerWaalsContact CH2-N 3.33Å; W165-R200 HydrophobicContact CZ2-CB 3.93Å; W165-R200 HydrophobicContact CZ3-CB 4.29Å; W165-G363 VanDerWaalsContact CZ2-O 3.25Å; W165-G363 WeakPolarHBondContact CZ2-O 3.3Å | ||
| 166 | P | 92.9 | Very high | 93.1 | Very high | 48 Ų | 48 | 41.8 Ų | 41.8 | 31% | 0.312 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.3 | -179.4 | -26.3 | 36.1 | 0 | 0 | 0 | 113.7 | A18 K161 | A18-P166 HydrophobicContact CB-CG 3.73Å; K161-P166 WeakPolarHBondContact CE-O 3.35Å; K161-P166 PolarHBondContact NZ-O 2.64Å; K161-P166 VanDerWaalsContact O-CA 3.29Å; K161-P166 WeakPolarHBondContact O-CA 3.4Å |
| 167 | D | 91.8 | Very high | 93.2 | Very high | 85 Ų | 85 | 41.4 Ų | 41.4 | 46% | 0.455 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -5.9 | -179.9 | 68.2 | -48.3 | 0 | 0 | 0 | 114.1 | W165 R169 R200 | W165-D167 PolarHBondContact O-N 2.83Å; W165-D167 VanDerWaalsContact O-N 3.12Å; D167-R169 VanDerWaalsContact O-CG 3.27Å; D167-R169 WeakPolarHBondContact O-CG 3.49Å; D167-R169 PolarHBondContact O-N 3.38Å; D167-R200 VanDerWaalsContact CG-NH1 3.27Å; D167-R200 IonicContact OD1-NH1 3.55Å; D167-R200 PolarHBondContact OD1-NH1 3.06Å; D167-R200 VanDerWaalsContact OD1-NH1 3.16Å; D167-R200 IonicContact OD2-CZ 3.56Å; D167-R200 VanDerWaalsContact OD2-CZ 3.28Å; D167-R200 IonicContact OD2-NH1 2.98Å; D167-R200 PolarHBondContact OD2-NH1 3.49Å; D167-R200 IonicContact OD2-NH2 2.89Å; D167-R200 PolarHBondContact OD2-NH2 2.92Å |
| 168 | L | 91.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -60.9 | 128.7 | 179.6 | -175.5 | 66.5 | 0 | 0 | 0 | 111.7 | L157 C160 K161 W165 E173 V174 | L157-L168 HydrophobicContact CD1-CD2 3.44Å; L157-L168 VanDerWaalsContact CD1-CD2 3.44Å; L157-L168 HydrophobicContact CD1-CG 3.71Å; C160-L168 HydrophobicContact CB-CD2 3.75Å; K161-L168 PolarHBondContact NZ-O 2.87Å; W165-L168 HydrophobicContact CB-CB 3.95Å; W165-L168 HydrophobicContact CE3-CD2 4.19Å; W165-L168 WeakPolarHBondContact O-CB 3.43Å; W165-L168 PolarHBondContact O-N 2.73Å; L168-E173 HydrophobicContact CD1-CB 3.7Å; L168-E173 HydrophobicContact CD1-CG 4.46Å; L168-V174 HydrophobicContact CD1-CG1 3.79Å; L168-V174 HydrophobicContact CD2-CG1 4.13Å | ||
| 169 | R | 88.3 | Confident | 93 | Very high | 187 Ų | 187 | 44 Ų | 44 | 71% | 0.706 | 23% | 0.228 | S | C | * | . | trans | -110.6 | -48 | -173.1 | -50.9 | -177.1 | 178.9 | -170.4 | -2 | 112.1 | D167 E173 | D167-R169 VanDerWaalsContact O-CG 3.27Å; D167-R169 WeakPolarHBondContact O-CG 3.49Å; D167-R169 PolarHBondContact O-N 3.38Å; R169-E173 WeakPolarHBondContact CA-OE1 3.33Å; R169-E173 VanDerWaalsContact CB-OE1 3.28Å; R169-E173 WeakPolarHBondContact CB-OE1 3.37Å; R169-E173 PolarHBondContact N-OE1 3.47Å | ||
| 170 | H | 87.8 | Confident | 93 | Very high | 116 Ų | 116 | 44.3 Ų | 44.3 | 54% | 0.537 | 23% | 0.229 | S | C | . | . | trans | -127 | 153.9 | -171.3 | -56.9 | 96.7 | 0 | 0 | 0 | 112.5 | S172 E173 | H170-S172 WeakPolarHBondContact CB-OG 3.31Å; H170-S172 PolarHBondContact O-N 3.16Å; H170-E173 PolarHBondContact N-OE1 3.15Å; H170-E173 PolarHBondContact O-N 3.11Å | ||
| 171 | S | 89.1 | Confident | 92.8 | Very high | 82 Ų | 82 | 50.3 Ų | 50.3 | 57% | 0.573 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -66.7 | -20.3 | 174.8 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | E173 V174 | S171-E173 PolarHBondContact O-N 3.24Å; S171-V174 WeakPolarHBondContact O-CG2 3.48Å; S171-V174 PolarHBondContact O-N 3.21Å |
| 172 | S | 92.1 | Very high | 92.6 | Very high | 89 Ų | 89 | 50.2 Ų | 50.2 | 62% | 0.622 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -69.2 | -19.6 | 175.8 | 51 | 0 | 0 | 0 | 0 | 113.3 | H170 V174 L201 | H170-S172 WeakPolarHBondContact CB-OG 3.31Å; H170-S172 PolarHBondContact O-N 3.16Å; S172-V174 PolarHBondContact O-N 3.36Å; S172-L201 WeakPolarHBondContact O-CD1 3.22Å |
| 173 | E | 94.3 | Very high | 92.5 | Very high | 25 Ų | 25 | 53.3 Ų | 53.3 | 12% | 0.117 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -77.6 | -7.1 | 178 | -66 | 176.1 | -105.9 | 0 | 0 | 112.7 | L168 R169 H170 S171 R200 L201 | L168-E173 HydrophobicContact CD1-CB 3.7Å; L168-E173 HydrophobicContact CD1-CG 4.46Å; R169-E173 WeakPolarHBondContact CA-OE1 3.33Å; R169-E173 VanDerWaalsContact CB-OE1 3.28Å; R169-E173 WeakPolarHBondContact CB-OE1 3.37Å; R169-E173 PolarHBondContact N-OE1 3.47Å; H170-E173 PolarHBondContact N-OE1 3.15Å; H170-E173 PolarHBondContact O-N 3.11Å; S171-E173 PolarHBondContact O-N 3.24Å; E173-R200 CarbonylContact O-C 3.56Å; E173-R200 WeakPolarHBondContact O-CA 3.46Å; E173-R200 WeakPolarHBondContact O-CG 3.44Å; E173-R200 IonicContact OE2-CZ 3.16Å; E173-R200 IonicContact OE2-NE 2.69Å; E173-R200 PolarHBondContact OE2-NE 3.02Å; E173-R200 IonicContact OE2-NH2 3.28Å; E173-R200 PolarHBondContact OE2-NH2 3.39Å; E173-L201 PolarHBondContact O-N 3.21Å |
| 174 | V | 95.4 | Very high | 91.9 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 15% | 0.145 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145.8 | -175.9 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | W165 L168 S171 S172 L198 S199 | W165-V174 HydrophobicContact CE3-CG1 4.15Å; W165-V174 HydrophobicContact CZ3-CG1 3.75Å; L168-V174 HydrophobicContact CD1-CG1 3.79Å; L168-V174 HydrophobicContact CD2-CG1 4.13Å; S171-V174 WeakPolarHBondContact O-CG2 3.48Å; S171-V174 PolarHBondContact O-N 3.21Å; S172-V174 PolarHBondContact O-N 3.36Å; V174-L198 HydrophobicContact CB-CD2 4.4Å; V174-L198 HydrophobicContact CG2-CD2 4.26Å; V174-S199 CarbonylContact C-O 3.56Å; V174-S199 WeakPolarHBondContact CA-O 3.41Å; V174-S199 WeakPolarHBondContact CB-O 3.18Å |
| 175 | K | 94.8 | Very high | 91.5 | Very high | 28 Ų | 28 | 61.8 Ų | 61.8 | 12% | 0.122 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 151.8 | 169.2 | 70.6 | 170.7 | -61.8 | -172.4 | 0 | 111.8 | L198 S199 L201 E326 W331 | K175-L198 CarbonylContact O-C 3.58Å; K175-L198 WeakPolarHBondContact O-CA 3.33Å; K175-S199 VanDerWaalsContact CG-OG 3.22Å; K175-S199 WeakPolarHBondContact CG-OG 3.29Å; K175-S199 PolarHBondContact N-O 3.4Å; K175-S199 PolarHBondContact O-N 3.27Å; K175-L201 HydrophobicContact CB-CD2 3.89Å; K175-L201 HydrophobicContact CD-CD2 3.69Å; K175-L201 HydrophobicContact CG-CD2 3.65Å; K175-E326 IonicContact NZ-OE1 2.73Å; K175-E326 PolarHBondContact NZ-OE1 2.69Å; K175-E326 IonicContact NZ-OE2 2.97Å; K175-E326 PolarHBondContact NZ-OE2 3.16Å; K175-W331 HydrophobicContact CD-CD2 4.15Å; K175-W331 HydrophobicContact CD-CE3 3.71Å; K175-W331 HydrophobicContact CD-CH2 4.09Å; K175-W331 HydrophobicContact CD-CZ2 4.48Å; K175-W331 HydrophobicContact CD-CZ3 3.7Å; K175-W331 VanDerWaalsContact NZ-CG 3.27Å |
| 176 | R | 95.5 | Very high | 90.8 | Very high | 53 Ų | 53 | 69 Ų | 69 | 20% | 0.2 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 137.3 | 172.1 | -162.8 | 69.6 | 64.9 | 164.6 | 0.9 | 109.9 | C180 Y183 C192 H197 L198 | R176-C180 HydrophobicContact CG-CB 3.92Å; R176-Y183 HydrophobicContact CB-CD2 4.08Å; R176-Y183 HydrophobicContact CG-CD2 4.21Å; R176-Y183 WeakPolarHBondContact O-CD2 3.45Å; R176-Y183 WeakPolarHBondContact O-CE2 3.41Å; R176-C192 PolarHBondContact NH1-O 3.13Å; R176-C192 PolarHBondContact NH2-O 3.12Å; R176-H197 VanDerWaalsContact CD-O 3.29Å; R176-H197 WeakPolarHBondContact CD-O 3.5Å; R176-L198 HydrophobicContact CB-CD2 4.45Å |
| 177 | L | 95 | Very high | 90.2 | Very high | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.026 | 37% | 0.374 | C | S | . | . | trans | -84.7 | 147.9 | 174.9 | -66.6 | 170.5 | 0 | 0 | 0 | 111 | C179 C180 H197 S199 Y333 | L177-C179 PolarHBondContact O-N 2.72Å; L177-C180 WeakPolarHBondContact O-CB 3.45Å; L177-C180 PolarHBondContact O-N 2.89Å; L177-H197 PolarHBondContact N-O 2.79Å; L177-S199 WeakPolarHBondContact CD2-OG 3.43Å; L177-Y333 HydrophobicContact CD1-CD1 3.75Å; L177-Y333 HydrophobicContact CD1-CE1 3.4Å; L177-Y333 VanDerWaalsContact CD1-CE1 3.4Å; L177-Y333 HydrophobicContact CD1-CE2 4.21Å; L177-Y333 HydrophobicContact CD1-CG 4.3Å; L177-Y333 HydrophobicContact CD2-CD1 3.8Å; L177-Y333 HydrophobicContact CD2-CD2 4.09Å; L177-Y333 HydrophobicContact CD2-CE1 4.31Å; L177-Y333 HydrophobicContact CD2-CG 3.69Å; L177-Y333 HydrophobicContact CG-CD1 4.44Å | ||
| 178 | C | 91.6 | Very high | 89.4 | Confident | 33 Ų | 33 | 72 Ų | 72 | 22% | 0.223 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -19.3 | 179.9 | 64.8 | 0 | 0 | 0 | 0 | 113.9 | C180 Y183 T324 | C178-C180 PolarHBondContact O-N 2.98Å; C178-Y183 HydrophobicContact CB-CD1 4.22Å; C178-Y183 HydrophobicContact CB-CE1 4.29Å; C178-Y183 HydrophobicContact CB-CG 4.38Å; C178-T324 HydrophobicContact CB-CG2 3.77Å; C178-T324 WeakPolarHBondContact SG-CG2 3.42Å; C178-T324 PolarHBondContact SG-OG1 3.42Å |
| 179 | C | 88.8 | Confident | 89.1 | Confident | 42 Ų | 42 | 79.2 Ų | 79.2 | 28% | 0.284 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -9 | 173.4 | 69.5 | 0 | 0 | 0 | 0 | 113.5 | L177 | L177-C179 PolarHBondContact O-N 2.72Š|
| 180 | C | 93.8 | Very high | 89.1 | Confident | 5 Ų | 5 | 73.3 Ų | 73.3 | 3% | 0.034 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -82.3 | 128.7 | 174.9 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | R176 L177 C178 S182 Y183 H197 | R176-C180 HydrophobicContact CG-CB 3.92Å; L177-C180 WeakPolarHBondContact O-CB 3.45Å; L177-C180 PolarHBondContact O-N 2.89Å; C178-C180 PolarHBondContact O-N 2.98Å; C180-S182 PolarHBondContact O-N 2.69Å; C180-S182 VanDerWaalsContact O-N 3.11Å; C180-S182 PolarHBondContact SG-N 3.34Å; C180-Y183 WeakPolarHBondContact O-CB 3.34Å; C180-Y183 PolarHBondContact O-N 3.46Å; C180-H197 HydrophobicContact CB-CB 3.92Å |
| 181 | E | 92.3 | Very high | 89.3 | Confident | 127 Ų | 127 | 69.8 Ų | 69.8 | 59% | 0.593 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -20.8 | 177.4 | -60.3 | 167.4 | -174.1 | 0 | 0 | 113.3 | C125 K185 | C125-E181 PolarHBondContact SG-N 3.07Å; E181-K185 WeakPolarHBondContact O-CD 3.41Å; E181-K185 WeakPolarHBondContact O-CE 3.48Å; E181-K185 PolarHBondContact O-NZ 3.35Å |
| 182 | S | 89.8 | Confident | 89.6 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 0.9 | 173.4 | -44.7 | 0 | 0 | 0 | 0 | 113.6 | C180 G184 K185 | C180-S182 PolarHBondContact O-N 2.69Å; C180-S182 VanDerWaalsContact O-N 3.11Å; C180-S182 PolarHBondContact SG-N 3.34Å; S182-G184 PolarHBondContact O-N 3.25Å; S182-K185 PolarHBondContact O-N 3.37Å |
| 183 | Y | 91.1 | Very high | 89.7 | Confident | 78 Ų | 78 | 61.7 Ų | 61.7 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 132.4 | 176.7 | 178.5 | -95.5 | 0 | 0 | 0 | 110.5 | R176 C178 C180 K185 E326 | R176-Y183 HydrophobicContact CB-CD2 4.08Å; R176-Y183 HydrophobicContact CG-CD2 4.21Å; R176-Y183 WeakPolarHBondContact O-CD2 3.45Å; R176-Y183 WeakPolarHBondContact O-CE2 3.41Å; C178-Y183 HydrophobicContact CB-CD1 4.22Å; C178-Y183 HydrophobicContact CB-CE1 4.29Å; C178-Y183 HydrophobicContact CB-CG 4.38Å; C180-Y183 WeakPolarHBondContact O-CB 3.34Å; C180-Y183 PolarHBondContact O-N 3.46Å; Y183-K185 PolarHBondContact O-N 3.29Å; Y183-K185 VanDerWaalsContact O-N 3.11Å; Y183-E326 WeakPolarHBondContact OH-CG 3.48Å; Y183-E326 PolarHBondContact OH-OE2 3.18Å |
| 184 | G | 85 | Confident | 89.8 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 80% | 0.804 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 0.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S182 | S182-G184 PolarHBondContact O-N 3.25Š|
| 185 | K | 86.6 | Confident | 89.9 | Confident | 146 Ų | 146 | 59.5 Ų | 59.5 | 64% | 0.635 | 32% | 0.323 | S | S | * | . | trans | -106.9 | 128.9 | -179.6 | -61.6 | -179.7 | -170.3 | 160.6 | 0 | 110.4 | E181 S182 Y183 | E181-K185 WeakPolarHBondContact O-CD 3.41Å; E181-K185 WeakPolarHBondContact O-CE 3.48Å; E181-K185 PolarHBondContact O-NZ 3.35Å; S182-K185 PolarHBondContact O-N 3.37Å; Y183-K185 PolarHBondContact O-N 3.29Å; Y183-K185 VanDerWaalsContact O-N 3.11Å | ||
| 186 | I | 79.4 | Confident | 89.9 | Confident | 172 Ų | 172 | 59 Ų | 59 | 88% | 0.882 | 32% | 0.322 | S | S | * | . | trans | -93.6 | 109 | 169.7 | -57.9 | 174.5 | 0 | 0 | 0 | 106.8 | ||||
| 187 | N | 79.7 | Confident | 90 | Very high | 75 Ų | 75 | 56.9 Ų | 56.9 | 40% | 0.401 | 31% | 0.314 | S | S | . | . | trans | -113.9 | 113.2 | 169.5 | -175.4 | -32.7 | 0 | 0 | 0 | 108.1 | E189 L190 | N187-E189 VanDerWaalsContact C-N 3.26Å; N187-E189 PolarHBondContact O-N 3.3Å; N187-E189 PolarHBondContact OD1-N 3.32Å; N187-L190 WeakPolarHBondContact CB-O 3.43Å; N187-L190 PolarHBondContact OD1-N 3.41Å | ||
| 188 | P | 76 | Confident | 90 | Very high | 122 Ų | 122 | 57.1 Ų | 57.1 | 79% | 0.792 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -70.5 | -22.1 | -177 | 27.3 | -33.1 | 0 | 0 | 0 | 113.2 | ||
| 189 | E | 83.9 | Confident | 90.3 | Very high | 150 Ų | 150 | 55.5 Ų | 55.5 | 70% | 0.701 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -91.7 | -45.2 | -176 | -60.9 | -174.2 | 167.3 | 0 | 0 | 112.4 | P129 N187 | P129-E189 WeakPolarHBondContact CA-O 3.26Å; N187-E189 VanDerWaalsContact C-N 3.26Å; N187-E189 PolarHBondContact O-N 3.3Å; N187-E189 PolarHBondContact OD1-N 3.32Å |
| 190 | L | 90.1 | Very high | 90.6 | Very high | 64 Ų | 64 | 54.9 Ų | 54.9 | 34% | 0.335 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128 | -172.3 | -65.3 | 177.2 | 0 | 0 | 0 | 111.8 | L127 L128 P129 N187 | L127-L190 HydrophobicContact CB-CB 4.34Å; L127-L190 HydrophobicContact CB-CD1 4.41Å; L128-L190 WeakPolarHBondContact O-CA 3.35Å; P129-L190 HydrophobicContact CG-CD2 4.45Å; N187-L190 WeakPolarHBondContact CB-O 3.43Å; N187-L190 PolarHBondContact OD1-N 3.41Å |
| 191 | V | 91.7 | Very high | 90.7 | Very high | 42 Ų | 42 | 57 Ų | 57 | 26% | 0.255 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 137.2 | 177 | 175.9 | 0 | 0 | 0 | 0 | 109.6 | L128 P156 C193 | L128-V191 PolarHBondContact N-O 3.36Å; L128-V191 PolarHBondContact O-N 3.46Å; P156-V191 HydrophobicContact CG-CG1 3.56Å; V191-C193 PolarHBondContact O-N 3.25Å; V191-C193 PolarHBondContact O-SG 3.1Å |
| 192 | C | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 126.6 | 170.7 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | C125 L126 L127 R176 H197 | C125-C192 HydrophobicContact CB-CB 4.41Å; L126-C192 CarbonylContact O-C 3.59Å; L126-C192 WeakPolarHBondContact O-CA 3.36Å; L127-C192 HydrophobicContact CD2-CB 4.06Å; R176-C192 PolarHBondContact NH1-O 3.13Å; R176-C192 PolarHBondContact NH2-O 3.12Å; C192-H197 PolarHBondContact SG-ND1 2.99Å |
| 193 | C | 94.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | trans | -116.3 | 13.6 | -176.6 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | L126 L128 L155 L159 V191 P195 | L126-C193 HydrophobicContact CD2-CB 4.18Å; L126-C193 HydrophobicContact CG-CB 4.28Å; L126-C193 WeakPolarHBondContact O-CB 3.34Å; L126-C193 PolarHBondContact O-N 3.45Å; L128-C193 HydrophobicContact CB-CB 4.46Å; L128-C193 HydrophobicContact CD1-CB 3.73Å; L128-C193 HydrophobicContact CG-CB 4.22Å; L155-C193 HydrophobicContact CG-CB 4.37Å; L159-C193 HydrophobicContact CD1-CB 3.8Å; L159-C193 VanDerWaalsContact CD1-O 3.28Å; L159-C193 WeakPolarHBondContact CD1-O 3.47Å; V191-C193 PolarHBondContact O-N 3.25Å; V191-C193 PolarHBondContact O-SG 3.1Å; C193-P195 VanDerWaalsContact O-CD 3.27Å; C193-P195 WeakPolarHBondContact O-CD 3.44Å | ||
| 194 | N | 96.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.011 | 32% | 0.319 | C | S | . | . | trans | -70.3 | 117.2 | 173.6 | -177.6 | -27.8 | 0 | 0 | 0 | 109.1 | A114 T123 A124 L126 H196 H197 | A114-N194 WeakPolarHBondContact CB-ND2 3.45Å; A114-N194 WeakPolarHBondContact CB-OD1 3.5Å; T123-N194 PolarHBondContact OG1-ND2 3.27Å; A124-N194 PolarHBondContact O-ND2 2.9Å; L126-N194 HydrophobicContact CB-CB 4.24Å; N194-H196 PolarHBondContact O-N 3.11Å; N194-H196 PolarHBondContact OD1-N 3.02Å; N194-H197 HydrophobicContact CB-CB 4.21Å; N194-H197 PolarHBondContact O-N 2.69Å; N194-H197 VanDerWaalsContact O-N 3.1Å | ||
| 195 | P | 96.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -60.7 | -28.2 | -177.8 | -25 | 35.9 | 0 | 0 | 0 | 113.7 | L111 L159 F163 R164 C193 H197 | L111-P195 HydrophobicContact CD1-CG 4.13Å; L159-P195 HydrophobicContact CB-CG 3.98Å; F163-P195 HydrophobicContact CB-CB 4.45Å; F163-P195 HydrophobicContact CB-CG 4.22Å; F163-P195 HydrophobicContact CD2-CG 4.11Å; R164-P195 WeakPolarHBondContact CD-O 3.25Å; R164-P195 HydrophobicContact CG-CB 3.95Å; R164-P195 PolarHBondContact NH1-O 3.44Å; C193-P195 VanDerWaalsContact O-CD 3.27Å; C193-P195 WeakPolarHBondContact O-CD 3.44Å; P195-H197 VanDerWaalsContact C-N 3.3Å |
| 196 | H | 95.6 | Very high | 86.3 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 9% | 0.088 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -85.4 | 1.7 | -179.4 | -69.9 | -77.5 | 0 | 0 | 0 | 114.3 | A114 G119 N194 | A114-H196 PolarHBondContact O-CD2 2.85Å; A114-H196 PolarHBondContact O-NE2 2.81Å; G119-H196 PolarHBondContact N-CE1 2.91Å; G119-H196 PolarHBondContact N-ND1 2.96Å; N194-H196 PolarHBondContact O-N 3.11Å; N194-H196 PolarHBondContact OD1-N 3.02Å |
| 197 | H | 96.4 | Very high | 84.9 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 3% | 0.032 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -95.4 | 1.3 | 169.5 | -72 | 178.2 | 0 | 0 | 0 | 113.3 | T123 C125 R176 L177 C180 C192 N194 P195 | T123-H197 PolarHBondContact O-CE1 2.83Å; T123-H197 VanDerWaalsContact O-CE1 3.27Å; T123-H197 PolarHBondContact O-NE2 3.46Å; C125-H197 VanDerWaalsContact SG-CE1 3.57Å; R176-H197 VanDerWaalsContact CD-O 3.29Å; R176-H197 WeakPolarHBondContact CD-O 3.5Å; L177-H197 PolarHBondContact N-O 2.79Å; C180-H197 HydrophobicContact CB-CB 3.92Å; C192-H197 PolarHBondContact SG-ND1 2.99Å; N194-H197 HydrophobicContact CB-CB 4.21Å; N194-H197 PolarHBondContact O-N 2.69Å; N194-H197 VanDerWaalsContact O-N 3.1Å; P195-H197 VanDerWaalsContact C-N 3.3Å |
| 198 | L | 96.4 | Very high | 83.1 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 152 | 171.7 | -71.5 | 159.5 | 0 | 0 | 0 | 109 | P156 C160 R164 V174 K175 R176 | P156-L198 HydrophobicContact CB-CD1 3.99Å; C160-L198 WeakPolarHBondContact SG-CD1 3.2Å; R164-L198 PolarHBondContact NH1-O 3.12Å; V174-L198 HydrophobicContact CB-CD2 4.4Å; V174-L198 HydrophobicContact CG2-CD2 4.26Å; K175-L198 CarbonylContact O-C 3.58Å; K175-L198 WeakPolarHBondContact O-CA 3.33Å; R176-L198 HydrophobicContact CB-CD2 4.45Å |
| 199 | S | 96.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 146.5 | 169.7 | 57.4 | 0 | 0 | 0 | 0 | 108.6 | V174 K175 L177 Y333 S365 | V174-S199 CarbonylContact C-O 3.56Å; V174-S199 WeakPolarHBondContact CA-O 3.41Å; V174-S199 WeakPolarHBondContact CB-O 3.18Å; K175-S199 VanDerWaalsContact CG-OG 3.22Å; K175-S199 WeakPolarHBondContact CG-OG 3.29Å; K175-S199 PolarHBondContact N-O 3.4Å; K175-S199 PolarHBondContact O-N 3.27Å; L177-S199 WeakPolarHBondContact CD2-OG 3.43Å; S199-Y333 VanDerWaalsContact CB-CD2 3.49Å; S199-S365 WeakPolarHBondContact CB-OG 3.47Å; S199-S365 WeakPolarHBondContact OG-CB 3.41Å; S199-S365 PolarHBondContact OG-OG 3.16Å |
| 200 | R | 96.6 | Very high | 79.7 | Confident | 28 Ų | 28 | 54.5 Ų | 54.5 | 11% | 0.106 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 142.7 | 173.9 | -163.7 | 164.5 | 179 | -171.3 | 4.6 | 109.2 | W165 D167 E173 G363 F364 S365 | W165-R200 HydrophobicContact CD2-CB 4.34Å; W165-R200 HydrophobicContact CE3-CB 4.42Å; W165-R200 HydrophobicContact CH2-CB 4.06Å; W165-R200 VanDerWaalsContact CH2-N 3.33Å; W165-R200 HydrophobicContact CZ2-CB 3.93Å; W165-R200 HydrophobicContact CZ3-CB 4.29Å; D167-R200 VanDerWaalsContact CG-NH1 3.27Å; D167-R200 IonicContact OD1-NH1 3.55Å; D167-R200 PolarHBondContact OD1-NH1 3.06Å; D167-R200 VanDerWaalsContact OD1-NH1 3.16Å; D167-R200 IonicContact OD2-CZ 3.56Å; D167-R200 VanDerWaalsContact OD2-CZ 3.28Å; D167-R200 IonicContact OD2-NH1 2.98Å; D167-R200 PolarHBondContact OD2-NH1 3.49Å; D167-R200 IonicContact OD2-NH2 2.89Å; D167-R200 PolarHBondContact OD2-NH2 2.92Å; E173-R200 CarbonylContact O-C 3.56Å; E173-R200 WeakPolarHBondContact O-CA 3.46Å; E173-R200 WeakPolarHBondContact O-CG 3.44Å; E173-R200 IonicContact OE2-CZ 3.16Å; E173-R200 IonicContact OE2-NE 2.69Å; E173-R200 PolarHBondContact OE2-NE 3.02Å; E173-R200 IonicContact OE2-NH2 3.28Å; E173-R200 PolarHBondContact OE2-NH2 3.39Å; R200-G363 PolarHBondContact N-O 3.49Å; R200-F364 HydrophobicContact CB-CD1 3.84Å; R200-F364 HydrophobicContact CB-CD2 4.36Å; R200-F364 HydrophobicContact CB-CE1 3.92Å; R200-F364 HydrophobicContact CB-CE2 4.41Å; R200-F364 HydrophobicContact CB-CG 4.09Å; R200-F364 HydrophobicContact CB-CZ 4.22Å; R200-F364 HydrophobicContact CG-CD1 3.97Å; R200-F364 HydrophobicContact CG-CE1 3.63Å; R200-F364 HydrophobicContact CG-CZ 4.05Å; R200-F364 CarbonylContact O-C 3.48Å; R200-F364 WeakPolarHBondContact O-CA 3.44Å; R200-S365 PolarHBondContact O-N 3.49Å |
| 201 | L | 95.9 | Very high | 77.6 | Confident | 50 Ų | 50 | 60.4 Ų | 60.4 | 26% | 0.262 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 133.2 | 177.2 | -64.2 | 177.5 | 0 | 0 | 0 | 109.2 | S172 E173 K175 E203 W331 | S172-L201 WeakPolarHBondContact O-CD1 3.22Å; E173-L201 PolarHBondContact O-N 3.21Å; K175-L201 HydrophobicContact CB-CD2 3.89Å; K175-L201 HydrophobicContact CD-CD2 3.69Å; K175-L201 HydrophobicContact CG-CD2 3.65Å; L201-E203 PolarHBondContact O-N 3.42Å; L201-W331 HydrophobicContact CD2-CH2 3.83Å; L201-W331 HydrophobicContact CD2-CZ3 3.61Å |
| 202 | C | 92.8 | Very high | 75.5 | Confident | 27 Ų | 27 | 62.2 Ų | 62.2 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 117.5 | 169.7 | -164.9 | 0 | 0 | 0 | 0 | 108 | L204 S365 I366 | C202-L204 PolarHBondContact O-N 3.02Å; C202-S365 WeakPolarHBondContact CB-O 3.39Å; C202-S365 PolarHBondContact N-O 2.73Å; C202-I366 HydrophobicContact CB-CB 3.93Å; C202-I366 HydrophobicContact CB-CD1 4.39Å; C202-I366 HydrophobicContact CB-CG1 4.21Å |
| 203 | E | 80.3 | Confident | 73 | Confident | 154 Ų | 154 | 73 Ų | 73 | 72% | 0.72 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 120.9 | 170.9 | -64.7 | -177.1 | 179.8 | 0 | 0 | 108 | L201 E205 | L201-E203 PolarHBondContact O-N 3.42Å; E203-E205 PolarHBondContact O-N 3.48Å; E203-E205 VanDerWaalsContact O-N 3.09Å |
| 204 | L | 74.3 | Confident | 70.2 | Confident | 82 Ų | 82 | 83 Ų | 83 | 43% | 0.429 | 42% | 0.422 | S | S | . | . | trans | -72.2 | 100.8 | 167.3 | -73.9 | 164.5 | 0 | 0 | 0 | 105.9 | C202 S206 L347 H358 I366 | C202-L204 PolarHBondContact O-N 3.02Å; L204-S206 PolarHBondContact O-N 3.48Å; L204-S206 VanDerWaalsContact O-N 3.12Å; L204-L347 HydrophobicContact CD2-CD2 4.32Å; L204-H358 WeakPolarHBondContact CD2-CE1 3.49Å; L204-H358 WeakPolarHBondContact CD2-ND1 3.44Å; L204-I366 HydrophobicContact CD2-CD1 4.21Å | ||
| 205 | E | 58.8 | Low | 67.4 | Low | 181 Ų | 181 | 87.8 Ų | 87.8 | 85% | 0.846 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 121.6 | 177.6 | -159.8 | 167.9 | -162.6 | 0 | 0 | 107.7 | E203 | E203-E205 PolarHBondContact O-N 3.48Å; E203-E205 VanDerWaalsContact O-N 3.09Å |
| 206 | S | 45.8 | Very low | 64.7 | Low | 99 Ų | 99 | 96.7 Ų | 96.7 | 69% | 0.692 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 133.5 | 174.5 | -61.8 | 0 | 0 | 0 | 0 | 106.9 | L204 | L204-S206 PolarHBondContact O-N 3.48Å; L204-S206 VanDerWaalsContact O-N 3.12Å |
| 207 | P | 49.6 | Very low | 62 | Low | 98 Ų | 98 | 102 Ų | 102 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 139 | 178.2 | 21.4 | -31.5 | 0 | 0 | 0 | 108.4 | ||
| 208 | P | 42.3 | Very low | 59.4 | Low | 95 Ų | 95 | 111.3 Ų | 111.3 | 62% | 0.617 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 137.9 | -178.4 | 21.8 | -32 | 0 | 0 | 0 | 108.3 | ||
| 209 | P | 40.2 | Very low | 56.6 | Low | 59 Ų | 59 | 119.2 Ų | 119.2 | 38% | 0.383 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 149.3 | -175 | 21 | -32.5 | 0 | 0 | 0 | 110.7 | Y211 S212 | P209-Y211 HydrophobicContact CB-CD1 4.11Å; P209-Y211 HydrophobicContact CB-CE1 3.47Å; P209-Y211 VanDerWaalsContact CB-CE1 3.47Å; P209-Y211 HydrophobicContact CB-CE2 4.3Å; P209-Y211 HydrophobicContact CG-CE1 3.77Å; P209-Y211 HydrophobicContact CG-CE2 3.74Å; P209-Y211 WeakPolarHBondContact CG-OH 3.45Å; P209-Y211 PolarHBondContact O-N 2.88Å; P209-S212 PolarHBondContact O-N 3.42Å |
| 210 | P | 47.1 | Very low | 53.4 | Low | 126 Ų | 126 | 128.7 Ų | 128.7 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 2.8 | -158.8 | 19 | -31.9 | 0 | 0 | 0 | 116.9 | ||
| 211 | Y | 47.6 | Very low | 50.5 | Low | 189 Ų | 189 | 133.2 Ų | 133.2 | 74% | 0.741 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 2.1 | 176.3 | 44.1 | -98 | 0 | 0 | 0 | 114.8 | P209 R213 | P209-Y211 HydrophobicContact CB-CD1 4.11Å; P209-Y211 HydrophobicContact CB-CE1 3.47Å; P209-Y211 VanDerWaalsContact CB-CE1 3.47Å; P209-Y211 HydrophobicContact CB-CE2 4.3Å; P209-Y211 HydrophobicContact CG-CE1 3.77Å; P209-Y211 HydrophobicContact CG-CE2 3.74Å; P209-Y211 WeakPolarHBondContact CG-OH 3.45Å; P209-Y211 PolarHBondContact O-N 2.88Å; Y211-R213 PolarHBondContact O-N 3.02Å |
| 212 | S | 46.5 | Very low | 47.5 | Very low | 79 Ų | 79 | 137.5 Ų | 137.5 | 55% | 0.552 | 71% | 0.71 | S | S | * | * | trans | -81.4 | 33.5 | 172.7 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | P209 | P209-S212 PolarHBondContact O-N 3.42Š| ||
| 213 | R | 42.4 | Very low | 44.8 | Very low | 226 Ų | 226 | 140.4 Ų | 140.4 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | trans | -83.3 | 114.3 | 167.7 | -73.5 | -154.5 | -173.1 | 170.1 | 4.7 | 108.9 | Y211 | Y211-R213 PolarHBondContact O-N 3.02Š| ||
| 214 | Y | 36 | Very low | 42.4 | Very low | 213 Ų | 213 | 141 Ų | 141 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | -56 | 143.9 | 157.5 | -91.5 | -95.2 | 0 | 0 | 0 | 109.5 | M216 | Y214-M216 PolarHBondContact O-N 3.5Å; Y214-M216 VanDerWaalsContact O-N 3.14Å | ||
| 215 | P | 37.8 | Very low | 40.2 | Very low | 102 Ų | 102 | 143 Ų | 143 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | trans | -64.2 | 116 | -176.9 | -16 | 29.1 | 0 | 0 | 0 | 110.4 | D217 | P215-D217 PolarHBondContact O-N 3.28Š| ||
| 216 | M | 38.7 | Very low | 39.5 | Very low | 186 Ų | 186 | 139.1 Ų | 139.1 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | trans | -85.8 | 72.1 | 162.3 | -69.2 | -73.4 | -79.1 | 0 | 0 | 107.5 | Y214 | Y214-M216 PolarHBondContact O-N 3.5Å; Y214-M216 VanDerWaalsContact O-N 3.14Å | ||
| 217 | D | 40.6 | Very low | 38.8 | Very low | 132 Ų | 132 | 142 Ų | 142 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -103.7 | 108.7 | 163.6 | -73.3 | -39.7 | 0 | 0 | 0 | 107.3 | P215 | P215-D217 PolarHBondContact O-N 3.28Š| ||
| 218 | F | 40.6 | Very low | 37.8 | Very low | 201 Ų | 201 | 141.9 Ų | 141.9 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | trans | 150.3 | 58.9 | 151.6 | -81.3 | -65.1 | 0 | 0 | 0 | 110.8 | ||||
| 219 | L | 37.6 | Very low | 37.6 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | trans | -140.9 | 88.3 | 143.5 | -73 | -178.4 | 0 | 0 | 0 | 107.6 | ||||
| 220 | K | 30.3 | Very low | 37.4 | Very low | 198 Ų | 198 | 146.7 Ų | 146.7 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -76.4 | 126.6 | 169.2 | -147.8 | 173.5 | -171.4 | 177.3 | 0 | 107.1 | ||||
| 221 | P | 35.3 | Very low | 36.6 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -83.2 | 117.7 | 175.7 | 26.6 | -21.2 | 0 | 0 | 0 | 109.3 | ||||
| 222 | T | 32.9 | Very low | 35.8 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -103 | 110.6 | 157.9 | 32.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 223 | A | 36.3 | Very low | 35.2 | Very low | 88 Ų | 88 | 143 Ų | 143 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -65.1 | 137.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 224 | D | 29.1 | Very low | 34.6 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | -167.3 | 139.7 | 126 | -92 | -33.9 | 0 | 0 | 0 | 110.2 | |||||
| 225 | C | 28.2 | Very low | 34.3 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | trans | -79 | -167.2 | -168.1 | -123.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 226 | P | 44.3 | Very low | 33.8 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | cis | -138.4 | 176.1 | -13.4 | 28.2 | -4 | 0 | 0 | 0 | 116.4 | ||||
| 227 | D | 31.3 | Very low | 33.2 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | 53.7 | 120.7 | 150.2 | -69.4 | -31.4 | 0 | 0 | 0 | 123.4 | ||||
| 228 | A | 29.5 | Very low | 32.7 | Very low | 94 Ų | 94 | 130.2 Ų | 130.2 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | -176.1 | 120.1 | 117.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 229 | V | 37.3 | Very low | 32.1 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -82.8 | 143.1 | 156.6 | -177.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 230 | P | 35.3 | Very low | 31.8 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | -137.5 | 148.4 | 107.5 | 22.4 | -2.6 | 0 | 0 | 0 | 114 | |||||
| 231 | S | 30.3 | Very low | 31.7 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -62.8 | 143.6 | 164.8 | -180 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 232 | S | 31.7 | Very low | 31.4 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -166.6 | 146.7 | 144 | -76.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 233 | A | 32.7 | Very low | 31.4 | Very low | 89 Ų | 89 | 126.5 Ų | 126.5 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | -91.3 | 179.4 | -162.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 234 | E | 31 | Very low | 31.1 | Very low | 178 Ų | 178 | 126 Ų | 126 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | 115 | 100.1 | 144.6 | -52.6 | -145.3 | 136.5 | 0 | 0 | 118.6 | ||||
| 235 | T | 29.8 | Very low | 31.1 | Very low | 139 Ų | 139 | 121.4 Ų | 121.4 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | 77.6 | 125.2 | 120.8 | -31.7 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 236 | G | 26.8 | Very low | 31.3 | Very low | 74 Ų | 74 | 124 Ų | 124 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | 168.2 | 41.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 237 | G | 26.1 | Very low | 30.8 | Very low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -91.3 | 116.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 238 | T | 29.9 | Very low | 30.7 | Very low | 126 Ų | 126 | 121.7 Ų | 121.7 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -94.2 | 106.2 | 168.4 | 47.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 239 | N | 28.4 | Very low | 30.8 | Very low | 146 Ų | 146 | 122.7 Ų | 122.7 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | -72.2 | 132.9 | 165.9 | -71 | -34 | 0 | 0 | 0 | 110 | ||||
| 240 | Y | 30.5 | Very low | 30.9 | Very low | 223 Ų | 223 | 124.6 Ų | 124.6 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | trans | -113.2 | 111.5 | 152.8 | -76.5 | -76.4 | 0 | 0 | 0 | 108.3 | ||||
| 241 | L | 29.1 | Very low | 30.8 | Very low | 163 Ų | 163 | 126 Ų | 126 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 130.8 | 174.8 | -70.1 | 155.8 | 0 | 0 | 0 | 109.9 | ||
| 242 | A | 28.7 | Very low | 30.9 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 133.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 243 | P | 33.9 | Very low | 31.1 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 126.6 | 170 | -11.4 | 27.5 | 0 | 0 | 0 | 110.5 | ||
| 244 | G | 30 | Very low | 30.8 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 154.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 245 | G | 29.1 | Very low | 31.2 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | 100.7 | 126.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 246 | L | 31 | Very low | 31.6 | Very low | 177 Ų | 177 | 128 Ų | 128 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | cis | -154.1 | 149.2 | 39 | -64.6 | 169.3 | 0 | 0 | 0 | 113.4 | ||||
| 247 | S | 33.4 | Very low | 32.6 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -11.6 | 153.4 | 160.6 | -124.4 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 248 | D | 30.3 | Very low | 33.9 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 60% | 0.599 | 78% | 0.783 | S | S | * | * | trans | 73.6 | 103.3 | 141.6 | -78 | -49.8 | 0 | 0 | 0 | 121.4 | ||||
| 249 | S | 30.9 | Very low | 36.5 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | -138.8 | 91.6 | 126.6 | -67.8 | 0 | 0 | 0 | 0 | 108.4 | L251 | S249-L251 VanDerWaalsContact C-N 3.28Å; S249-L251 PolarHBondContact O-N 2.87Å | |||
| 250 | Q | 40.2 | Very low | 39.4 | Very low | 175 Ų | 175 | 128 Ų | 128 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -56.4 | 95.3 | 155.2 | -70.4 | 178 | -7.1 | 0 | 0 | 108.3 | ||||
| 251 | L | 33.3 | Very low | 42.4 | Very low | 150 Ų | 150 | 118 Ų | 118 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | -104.1 | 103.3 | 155.9 | -73.6 | 177.5 | 0 | 0 | 0 | 106.6 | S249 L253 | S249-L251 VanDerWaalsContact C-N 3.28Å; S249-L251 PolarHBondContact O-N 2.87Å; L251-L253 PolarHBondContact O-N 3.32Å | ||
| 252 | L | 31.9 | Very low | 45.5 | Very low | 155 Ų | 155 | 110.3 Ų | 110.3 | 81% | 0.812 | 66% | 0.659 | S | S | * | * | trans | 11.8 | 101.3 | 157.1 | -67.2 | 166.8 | 0 | 0 | 0 | 114.6 | E254 | L252-E254 VanDerWaalsContact C-N 3.3Å; L252-E254 PolarHBondContact O-N 3.44Å | ||
| 253 | L | 35.7 | Very low | 48.7 | Very low | 171 Ų | 171 | 106.7 Ų | 106.7 | 90% | 0.895 | 63% | 0.628 | S | S | * | * | trans | -61.4 | 95.4 | 160.3 | -107.8 | 81 | 0 | 0 | 0 | 108.2 | L251 | L251-L253 PolarHBondContact O-N 3.32Š| ||
| 254 | E | 27.3 | Very low | 51.8 | Low | 152 Ų | 152 | 100.2 Ų | 100.2 | 71% | 0.71 | 59% | 0.586 | S | S | * | * | trans | -67.7 | 127.5 | 156.1 | -71.9 | -70.8 | 104.9 | 0 | 0 | 107.6 | L252 G256 | L252-E254 VanDerWaalsContact C-N 3.3Å; L252-E254 PolarHBondContact O-N 3.44Å; E254-G256 PolarHBondContact O-N 3.31Å | ||
| 255 | P | 38.5 | Very low | 55 | Low | 137 Ų | 137 | 96.6 Ų | 96.6 | 89% | 0.89 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 77.5 | 175.3 | -8.6 | 23.3 | 0 | 0 | 0 | 110.4 | ||
| 256 | G | 39.2 | Very low | 58.3 | Low | 62 Ų | 62 | 93.3 Ų | 93.3 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -161.7 | 10.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E254 R258 | E254-G256 PolarHBondContact O-N 3.31Å; G256-R258 PolarHBondContact O-N 2.95Å |
| 257 | D | 47.3 | Very low | 61.5 | Low | 148 Ų | 148 | 87.4 Ų | 87.4 | 79% | 0.791 | 48% | 0.479 | S | S | * | . | trans | -70.4 | 105.6 | -172.3 | -156.8 | 14.9 | 0 | 0 | 0 | 110.2 | S259 | D257-S259 PolarHBondContact O-N 3.17Š| ||
| 258 | R | 53.7 | Low | 64.6 | Low | 160 Ų | 160 | 82.6 Ų | 82.6 | 60% | 0.604 | 45% | 0.446 | S | S | * | . | trans | -63.2 | 88.6 | 176.1 | -77.9 | 179 | 149.7 | -147.4 | -5.2 | 108.2 | G256 H260 Q280 E281 | G256-R258 PolarHBondContact O-N 2.95Å; R258-H260 PolarHBondContact O-N 2.97Å; R258-H260 VanDerWaalsContact O-N 3.13Å; R258-Q280 HydrophobicContact CB-CG 4.47Å; R258-Q280 WeakPolarHBondContact O-CG 3.07Å; R258-Q280 PolarHBondContact O-NE2 3.18Å; R258-E281 IonicContact NH1-OE1 2.95Å; R258-E281 PolarHBondContact NH1-OE1 2.67Å | ||
| 259 | S | 83.3 | Confident | 67.7 | Low | 53 Ų | 53 | 80.2 Ų | 80.2 | 37% | 0.371 | 43% | 0.431 | S | S | . | . | trans | -53.9 | 121.6 | 176.9 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | D257 | D257-S259 PolarHBondContact O-N 3.17Š| ||
| 260 | H | 90.2 | Very high | 70.8 | Confident | 59 Ų | 59 | 82.5 Ų | 82.5 | 27% | 0.273 | 43% | 0.426 | S | S | . | . | trans | -59.7 | 147.9 | 168.6 | 57.3 | -82.2 | 0 | 0 | 0 | 108.8 | R258 V263 C278 V279 Q280 N424 | R258-H260 PolarHBondContact O-N 2.97Å; R258-H260 VanDerWaalsContact O-N 3.13Å; H260-V263 VanDerWaalsContact CD2-CG2 3.47Å; H260-V263 WeakPolarHBondContact CD2-CG2 3.07Å; H260-C278 HydrophobicContact CB-CB 4.05Å; H260-V279 CarbonylContact C-O 3.41Å; H260-V279 WeakPolarHBondContact CA-O 3.29Å; H260-V279 VanDerWaalsContact CB-O 3.24Å; H260-V279 WeakPolarHBondContact CB-O 3.25Å; H260-Q280 HydrophobicContact CB-CG 4.22Å; H260-N424 PolarHBondContact CD2-ND2 2.78Å; H260-N424 PolarHBondContact NE2-ND2 3.45Å; H260-N424 PolarHBondContact O-ND2 2.91Å | ||
| 261 | W | 93.3 | Very high | 73.4 | Confident | 13 Ų | 13 | 78.3 Ų | 78.3 | 5% | 0.049 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -98.4 | -21.4 | 179.7 | 63.8 | -92.7 | 0 | 0 | 0 | 112.3 | V279 E281 L323 R325 V330 F423 N424 | W261-V279 HydrophobicContact CZ2-CB 4.34Å; W261-V279 HydrophobicContact CZ2-CG1 3.79Å; W261-V279 PolarHBondContact N-O 3.49Å; W261-V279 PolarHBondContact NE1-O 2.88Å; W261-E281 PolarHBondContact NE1-O 2.75Å; W261-L323 HydrophobicContact CH2-CB 4.45Å; W261-R325 VanDerWaalsContact CB-NH1 3.3Å; W261-R325 HydrophobicContact CD2-CB 4.02Å; W261-R325 HydrophobicContact CE3-CB 4.07Å; W261-R325 HydrophobicContact CH2-CB 4.16Å; W261-R325 HydrophobicContact CZ2-CB 4.11Å; W261-R325 HydrophobicContact CZ3-CB 4.12Å; W261-V330 HydrophobicContact CE3-CG2 4.38Å; W261-V330 HydrophobicContact CH2-CG1 3.86Å; W261-V330 HydrophobicContact CZ3-CB 4.41Å; W261-V330 HydrophobicContact CZ3-CG1 3.71Å; W261-V330 HydrophobicContact CZ3-CG2 3.74Å; W261-F423 HydrophobicContact CE3-CD1 4.17Å; W261-F423 HydrophobicContact CE3-CE1 4.35Å; W261-F423 HydrophobicContact CZ3-CD1 4.02Å; W261-F423 AromaticContact CZ3-CE1 3.74Å; W261-F423 HydrophobicContact CZ3-CE1 3.74Å; W261-N424 PolarHBondContact O-N 2.79Å |
| 262 | C | 95.1 | Very high | 76.4 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 166 | 168.5 | 72.6 | 0 | 0 | 0 | 0 | 112.2 | V279 V421 I422 F423 | C262-V279 PolarHBondContact O-N 2.95Å; C262-V279 WeakPolarHBondContact SG-CG2 3.48Å; C262-V421 HydrophobicContact CB-CG1 4.12Å; C262-I422 CarbonylContact C-O 3.44Å; C262-I422 WeakPolarHBondContact CA-O 3.48Å; C262-I422 VanDerWaalsContact CB-O 3.27Å; C262-I422 WeakPolarHBondContact CB-O 3.39Å; C262-F423 HydrophobicContact CB-CD1 3.61Å; C262-F423 HydrophobicContact CB-CE1 3.97Å |
| 263 | V | 96 | Very high | 79.5 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.8 | 171.9 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | H260 L276 Y277 I422 | H260-V263 VanDerWaalsContact CD2-CG2 3.47Å; H260-V263 WeakPolarHBondContact CD2-CG2 3.07Å; V263-L276 HydrophobicContact CG1-CB 3.65Å; V263-L276 HydrophobicContact CG1-CD1 4.16Å; V263-L276 HydrophobicContact CG1-CD2 4.08Å; V263-L276 HydrophobicContact CG1-CG 4.16Å; V263-Y277 WeakPolarHBondContact CA-O 3.32Å; V263-I422 PolarHBondContact N-O 3.05Å; V263-I422 PolarHBondContact O-N 2.97Å |
| 264 | V | 97.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.2 | 178.4 | -173.9 | 0 | 0 | 0 | 0 | 110 | Y277 V279 L284 I286 F296 L323 L419 E420 V421 | V264-Y277 PolarHBondContact N-O 3.19Å; V264-Y277 PolarHBondContact O-N 3.09Å; V264-V279 HydrophobicContact CG2-CG2 4.01Å; V264-L284 HydrophobicContact CG2-CD2 4.09Å; V264-I286 HydrophobicContact CG1-CD1 4.04Å; V264-I286 HydrophobicContact CG2-CD1 4.43Å; V264-F296 HydrophobicContact CB-CD1 4.42Å; V264-F296 HydrophobicContact CB-CE1 4.38Å; V264-F296 HydrophobicContact CG1-CD1 4.12Å; V264-F296 HydrophobicContact CG1-CE1 3.99Å; V264-L323 HydrophobicContact CG2-CD1 4.07Å; V264-L419 HydrophobicContact CG1-CD2 3.96Å; V264-E420 CarbonylContact C-O 3.54Å; V264-E420 WeakPolarHBondContact CA-O 3.36Å; V264-V421 HydrophobicContact CG1-CG2 4.42Å; V264-V421 HydrophobicContact CG2-CG1 4.33Å; V264-V421 HydrophobicContact CG2-CG2 4.34Å |
| 265 | A | 97.6 | Very high | 85.5 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 2% | 0.017 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L276 L419 E420 | A265-L276 HydrophobicContact CB-CD2 3.61Å; A265-L419 VanDerWaalsContact O-CA 3.3Å; A265-L419 WeakPolarHBondContact O-CA 3.36Å; A265-E420 HydrophobicContact CB-CB 4.3Å; A265-E420 PolarHBondContact N-O 2.71Å; A265-E420 PolarHBondContact O-N 3.21Å |
| 266 | Y | 98.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 138.2 | 173.7 | 175.2 | -111.4 | 0 | 0 | 0 | 110.7 | E268 V273 L298 L301 R314 C417 W418 L419 | Y266-E268 HydrophobicContact CE1-CG 3.7Å; Y266-E268 VanDerWaalsContact CE1-OE1 3.27Å; Y266-E268 WeakPolarHBondContact CE1-OE1 3.15Å; Y266-E268 VanDerWaalsContact OH-CG 3.26Å; Y266-E268 WeakPolarHBondContact OH-CG 3.33Å; Y266-E268 PolarHBondContact OH-OE1 2.93Å; Y266-V273 HydrophobicContact CD1-CB 3.72Å; Y266-V273 HydrophobicContact CD1-CG1 4.05Å; Y266-V273 HydrophobicContact CE1-CB 3.94Å; Y266-V273 HydrophobicContact CE1-CG1 4.08Å; Y266-V273 PolarHBondContact O-N 2.84Å; Y266-L298 HydrophobicContact CD1-CD2 4.25Å; Y266-L298 HydrophobicContact CD2-CD1 3.94Å; Y266-L298 HydrophobicContact CD2-CD2 3.87Å; Y266-L298 HydrophobicContact CD2-CG 4.49Å; Y266-L298 HydrophobicContact CE2-CD1 3.92Å; Y266-L298 HydrophobicContact CE2-CD2 4.48Å; Y266-L298 HydrophobicContact CG-CD2 3.75Å; Y266-L301 HydrophobicContact CD1-CD1 3.51Å; Y266-L301 HydrophobicContact CE1-CD1 4.32Å; Y266-L301 HydrophobicContact CG-CD1 4.07Å; Y266-R314 PolarHBondContact OH-NH1 3.46Å; Y266-R314 VanDerWaalsContact OH-NH1 3.15Å; Y266-C417 HydrophobicContact CE2-CB 4.09Å; Y266-C417 PolarHBondContact OH-SG 3.43Å; Y266-W418 WeakPolarHBondContact CD2-O 3.24Å; Y266-L419 HydrophobicContact CD2-CD2 3.8Å; Y266-L419 HydrophobicContact CG-CD2 4.36Å |
| 267 | W | 98.2 | Very high | 90.8 | Very high | 54 Ų | 54 | 66 Ų | 66 | 21% | 0.205 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.4 | -173.5 | -63.1 | 89.2 | 0 | 0 | 0 | 111.1 | T271 R272 C417 W418 | W267-T271 WeakPolarHBondContact CA-O 3.46Å; W267-T271 VanDerWaalsContact CE3-C 3.49Å; W267-R272 HydrophobicContact CD2-CB 4.07Å; W267-R272 HydrophobicContact CD2-CG 4.43Å; W267-R272 HydrophobicContact CE3-CB 3.76Å; W267-R272 VanDerWaalsContact CE3-N 3.26Å; W267-R272 HydrophobicContact CH2-CB 3.87Å; W267-R272 HydrophobicContact CH2-CG 4.5Å; W267-R272 HydrophobicContact CZ2-CB 4.18Å; W267-R272 HydrophobicContact CZ2-CG 4.35Å; W267-R272 HydrophobicContact CZ3-CB 3.65Å; W267-C417 WeakPolarHBondContact O-CA 3.29Å; W267-W418 HydrophobicContact CB-CD2 3.66Å; W267-W418 HydrophobicContact CB-CE3 4.34Å; W267-W418 HydrophobicContact CB-CG 4.01Å; W267-W418 HydrophobicContact CB-CH2 4.23Å; W267-W418 HydrophobicContact CB-CZ2 3.53Å; W267-W418 VanDerWaalsContact CB-NE1 3.29Å; W267-W418 AromaticContact CD1-CE3 3.92Å; W267-W418 AromaticContact CD1-CH2 3.59Å; W267-W418 AromaticContact CD1-CZ2 3.81Å; W267-W418 AromaticContact CD1-CZ3 3.68Å; W267-W418 AromaticContact CD2-CH2 3.84Å; W267-W418 HydrophobicContact CD2-CH2 3.84Å; W267-W418 AromaticContact CD2-CZ2 3.63Å; W267-W418 HydrophobicContact CD2-CZ2 3.63Å; W267-W418 AromaticContact CE2-CH2 3.94Å; W267-W418 HydrophobicContact CE3-CZ2 4.05Å; W267-W418 HydrophobicContact CG-CD2 4.06Å; W267-W418 AromaticContact CG-CE2 3.61Å; W267-W418 HydrophobicContact CG-CE3 4.28Å; W267-W418 AromaticContact CG-CH2 3.67Å; W267-W418 HydrophobicContact CG-CH2 3.67Å; W267-W418 AromaticContact CG-CZ2 3.39Å; W267-W418 HydrophobicContact CG-CZ2 3.39Å; W267-W418 HydrophobicContact CG-CZ3 4.13Å; W267-W418 PolarHBondContact N-O 3.42Å; W267-W418 AromaticContact NE1-CH2 3.74Å; W267-W418 AromaticContact NE1-CZ3 3.99Å; W267-W418 PolarHBondContact O-N 3.43Å |
| 268 | E | 97.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 108.7 | 170 | -68 | 179.9 | 174.8 | 0 | 0 | 108.4 | Y266 K270 T271 V273 S303 N305 V310 R314 P416 | Y266-E268 HydrophobicContact CE1-CG 3.7Å; Y266-E268 VanDerWaalsContact CE1-OE1 3.27Å; Y266-E268 WeakPolarHBondContact CE1-OE1 3.15Å; Y266-E268 VanDerWaalsContact OH-CG 3.26Å; Y266-E268 WeakPolarHBondContact OH-CG 3.33Å; Y266-E268 PolarHBondContact OH-OE1 2.93Å; E268-K270 PolarHBondContact O-N 3.37Å; E268-T271 PolarHBondContact N-O 2.94Å; E268-T271 PolarHBondContact O-N 2.81Å; E268-V273 HydrophobicContact CB-CG2 3.94Å; E268-V273 HydrophobicContact CG-CG2 3.81Å; E268-S303 WeakPolarHBondContact OE2-CB 3.2Å; E268-S303 PolarHBondContact OE2-OG 2.86Å; E268-N305 VanDerWaalsContact OE2-CB 3.3Å; E268-N305 WeakPolarHBondContact OE2-CB 3.38Å; E268-V310 HydrophobicContact CB-CG1 4.08Å; E268-V310 HydrophobicContact CG-CG1 3.84Å; E268-R314 WeakPolarHBondContact OE1-CD 3.46Å; E268-R314 IonicContact OE1-CZ 3.42Å; E268-R314 IonicContact OE1-NE 3.58Å; E268-R314 IonicContact OE1-NH1 2.68Å; E268-R314 PolarHBondContact OE1-NH1 3.42Å; E268-P416 VanDerWaalsContact CA-O 3.25Å; E268-P416 WeakPolarHBondContact CA-O 3.15Å |
| 269 | E | 96.1 | Very high | 95.1 | Very high | 61 Ų | 61 | 54.9 Ų | 54.9 | 29% | 0.285 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | -112.1 | -170.6 | -58.4 | 167.4 | 157.1 | 0 | 0 | 110.5 | N305 S307 V310 S413 C415 P416 W418 | E269-N305 PolarHBondContact OE2-ND2 3.05Å; E269-S307 PolarHBondContact OE1-OG 3.45Å; E269-V310 HydrophobicContact CG-CG2 4.03Å; E269-S413 CarbonylContact C-O 3.06Å; E269-S413 WeakPolarHBondContact CA-O 3.25Å; E269-S413 WeakPolarHBondContact O-CA 3.16Å; E269-C415 VanDerWaalsContact CA-O 3.29Å; E269-C415 WeakPolarHBondContact CA-O 3.43Å; E269-C415 PolarHBondContact N-O 3.47Å; E269-P416 PolarHBondContact N-O 3.01Å; E269-W418 PolarHBondContact O-NE1 2.81Å |
| 270 | K | 95.6 | Very high | 95.6 | Very high | 162 Ų | 162 | 56.7 Ų | 56.7 | 70% | 0.704 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -4 | -179.9 | -67.6 | 175.3 | -177.5 | -176.4 | 0 | 113.6 | E268 | E268-K270 PolarHBondContact O-N 3.37Š|
| 271 | T | 95.8 | Very high | 95.7 | Very high | 88 Ų | 88 | 58.6 Ų | 58.6 | 54% | 0.54 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127.8 | -169.5 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | W267 E268 | W267-T271 WeakPolarHBondContact CA-O 3.46Å; W267-T271 VanDerWaalsContact CE3-C 3.49Å; E268-T271 PolarHBondContact N-O 2.94Å; E268-T271 PolarHBondContact O-N 2.81Å |
| 272 | R | 96.2 | Very high | 95.7 | Very high | 128 Ų | 128 | 61 Ų | 61 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 131 | 172.6 | -172.6 | 177.1 | 62.7 | 109.5 | -2 | 109.4 | W267 G274 | W267-R272 HydrophobicContact CD2-CB 4.07Å; W267-R272 HydrophobicContact CD2-CG 4.43Å; W267-R272 HydrophobicContact CE3-CB 3.76Å; W267-R272 VanDerWaalsContact CE3-N 3.26Å; W267-R272 HydrophobicContact CH2-CB 3.87Å; W267-R272 HydrophobicContact CH2-CG 4.5Å; W267-R272 HydrophobicContact CZ2-CB 4.18Å; W267-R272 HydrophobicContact CZ2-CG 4.35Å; W267-R272 HydrophobicContact CZ3-CB 3.65Å; R272-G274 PolarHBondContact NH1-O 3.04Å |
| 273 | V | 96.6 | Very high | 95.6 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | trans | -118 | 120.3 | -177.9 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | Y266 E268 L301 N302 | Y266-V273 HydrophobicContact CD1-CB 3.72Å; Y266-V273 HydrophobicContact CD1-CG1 4.05Å; Y266-V273 HydrophobicContact CE1-CB 3.94Å; Y266-V273 HydrophobicContact CE1-CG1 4.08Å; Y266-V273 PolarHBondContact O-N 2.84Å; E268-V273 HydrophobicContact CB-CG2 3.94Å; E268-V273 HydrophobicContact CG-CG2 3.81Å; V273-L301 HydrophobicContact CG1-CB 4Å; V273-N302 WeakPolarHBondContact CG1-O 3.32Å | ||
| 274 | G | 94.4 | Very high | 95.6 | Very high | 36 Ų | 36 | 62.3 Ų | 62.3 | 37% | 0.371 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 83 | -174.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R272 | R272-G274 PolarHBondContact NH1-O 3.04Š|
| 275 | R | 93.8 | Very high | 95.5 | Very high | 221 Ų | 221 | 62.6 Ų | 62.6 | 83% | 0.834 | 31% | 0.306 | S | S | * | . | trans | -84.7 | 163.8 | 177.3 | -63 | -178.1 | -178.4 | -179.8 | 0.2 | 110.7 | ||||
| 276 | L | 95 | Very high | 95.4 | Very high | 92 Ų | 92 | 62.5 Ų | 62.5 | 48% | 0.482 | 31% | 0.305 | S | S | . | . | trans | -66 | 136.1 | 167.9 | -65.6 | 177.3 | 0 | 0 | 0 | 109.5 | V263 A265 | V263-L276 HydrophobicContact CG1-CB 3.65Å; V263-L276 HydrophobicContact CG1-CD1 4.16Å; V263-L276 HydrophobicContact CG1-CD2 4.08Å; V263-L276 HydrophobicContact CG1-CG 4.16Å; A265-L276 HydrophobicContact CB-CD2 3.61Å | ||
| 277 | Y | 95.4 | Very high | 95.3 | Very high | 80 Ų | 80 | 62.6 Ų | 62.6 | 31% | 0.314 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 109 | 178.7 | -168.7 | -75.9 | 0 | 0 | 0 | 109.6 | V263 V264 V279 L284 F296 | V263-Y277 WeakPolarHBondContact CA-O 3.32Å; V264-Y277 PolarHBondContact N-O 3.19Å; V264-Y277 PolarHBondContact O-N 3.09Å; Y277-V279 HydrophobicContact CD1-CG2 3.96Å; Y277-V279 HydrophobicContact CE1-CG2 4.3Å; Y277-L284 HydrophobicContact CD1-CD1 4.39Å; Y277-L284 HydrophobicContact CD1-CD2 3.91Å; Y277-L284 HydrophobicContact CE1-CD1 3.59Å; Y277-L284 HydrophobicContact CE1-CD2 3.9Å; Y277-L284 HydrophobicContact CE1-CG 4.41Å; Y277-F296 HydrophobicContact CD1-CB 4.5Å; Y277-F296 HydrophobicContact CD2-CB 3.93Å; Y277-F296 HydrophobicContact CD2-CD1 4.29Å; Y277-F296 AromaticContact CD2-CD2 3.59Å; Y277-F296 HydrophobicContact CD2-CD2 3.59Å; Y277-F296 HydrophobicContact CD2-CE2 4.12Å; Y277-F296 AromaticContact CD2-CG 3.69Å; Y277-F296 HydrophobicContact CD2-CG 3.69Å; Y277-F296 HydrophobicContact CE2-CB 3.97Å; Y277-F296 HydrophobicContact CE2-CD2 4.17Å; Y277-F296 HydrophobicContact CE2-CG 4.22Å; Y277-F296 HydrophobicContact CG-CB 4.2Å; Y277-F296 HydrophobicContact CG-CD1 4.08Å; Y277-F296 HydrophobicContact CG-CD2 4.2Å; Y277-F296 AromaticContact CG-CG 3.92Å; Y277-F296 HydrophobicContact CG-CG 3.92Å |
| 278 | C | 95.1 | Very high | 95.1 | Very high | 71 Ų | 71 | 63.2 Ų | 63.2 | 48% | 0.48 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129.7 | 178.7 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | H260 | H260-C278 HydrophobicContact CB-CB 4.05Å |
| 279 | V | 95.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 113.8 | -174.7 | -163.3 | 0 | 0 | 0 | 0 | 110.9 | H260 W261 C262 V264 Y277 L284 | H260-V279 CarbonylContact C-O 3.41Å; H260-V279 WeakPolarHBondContact CA-O 3.29Å; H260-V279 VanDerWaalsContact CB-O 3.24Å; H260-V279 WeakPolarHBondContact CB-O 3.25Å; W261-V279 HydrophobicContact CZ2-CB 4.34Å; W261-V279 HydrophobicContact CZ2-CG1 3.79Å; W261-V279 PolarHBondContact N-O 3.49Å; W261-V279 PolarHBondContact NE1-O 2.88Å; C262-V279 PolarHBondContact O-N 2.95Å; C262-V279 WeakPolarHBondContact SG-CG2 3.48Å; V264-V279 HydrophobicContact CG2-CG2 4.01Å; Y277-V279 HydrophobicContact CD1-CG2 3.96Å; Y277-V279 HydrophobicContact CE1-CG2 4.3Å; V279-L284 HydrophobicContact CG1-CB 3.87Å; V279-L284 HydrophobicContact CG1-CD2 4.33Å; V279-L284 HydrophobicContact CG2-CD2 3.59Å |
| 280 | Q | 93.3 | Very high | 93.7 | Very high | 91 Ų | 91 | 66.7 Ų | 66.7 | 43% | 0.425 | 33% | 0.329 | S | S | . | . | trans | -98.4 | -44.6 | 175.9 | -66.6 | 177.8 | -14.9 | 0 | 0 | 112 | R258 H260 | R258-Q280 HydrophobicContact CB-CG 4.47Å; R258-Q280 WeakPolarHBondContact O-CG 3.07Å; R258-Q280 PolarHBondContact O-NE2 3.18Å; H260-Q280 HydrophobicContact CB-CG 4.22Å | ||
| 281 | E | 93.2 | Very high | 92.5 | Very high | 100 Ų | 100 | 64.8 Ų | 64.8 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -66.4 | 146.9 | -179.4 | -66.3 | -57.2 | 140.1 | 0 | 0 | 111.4 | R258 W261 S283 | R258-E281 IonicContact NH1-OE1 2.95Å; R258-E281 PolarHBondContact NH1-OE1 2.67Å; W261-E281 PolarHBondContact NE1-O 2.75Å; E281-S283 PolarHBondContact O-N 2.92Å |
| 282 | P | 92.9 | Very high | 91.3 | Very high | 64 Ų | 64 | 68.4 Ų | 68.4 | 42% | 0.416 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -65 | -13.7 | -175 | 27.5 | -35.8 | 0 | 0 | 0 | 113.7 | T324 R325 | P282-T324 CarbonylContact O-C 3.39Å; P282-T324 WeakPolarHBondContact O-CA 3.37Å; P282-R325 PolarHBondContact O-N 2.89Å |
| 283 | S | 94.4 | Very high | 90.1 | Very high | 36 Ų | 36 | 63.3 Ų | 63.3 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 140.8 | 175.7 | 66.9 | 0 | 0 | 0 | 0 | 111.7 | E281 L323 | E281-S283 PolarHBondContact O-N 2.92Å; S283-L323 CarbonylContact C-O 3.58Å; S283-L323 VanDerWaalsContact CA-O 3.22Å; S283-L323 WeakPolarHBondContact CA-O 3.29Å |
| 284 | L | 95.5 | Very high | 89.3 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 125.6 | 174.7 | 175.3 | 65.5 | 0 | 0 | 0 | 110.3 | V264 Y277 V279 I286 F296 Q322 L323 | V264-L284 HydrophobicContact CG2-CD2 4.09Å; Y277-L284 HydrophobicContact CD1-CD1 4.39Å; Y277-L284 HydrophobicContact CD1-CD2 3.91Å; Y277-L284 HydrophobicContact CE1-CD1 3.59Å; Y277-L284 HydrophobicContact CE1-CD2 3.9Å; Y277-L284 HydrophobicContact CE1-CG 4.41Å; V279-L284 HydrophobicContact CG1-CB 3.87Å; V279-L284 HydrophobicContact CG1-CD2 4.33Å; V279-L284 HydrophobicContact CG2-CD2 3.59Å; L284-I286 HydrophobicContact CD2-CD1 4.04Å; L284-I286 HydrophobicContact CD2-CG1 3.84Å; L284-I286 HydrophobicContact CG-CG1 3.92Å; L284-F296 HydrophobicContact CD1-CB 4.24Å; L284-F296 HydrophobicContact CD2-CB 4.35Å; L284-Q322 CarbonylContact O-C 3.44Å; L284-Q322 WeakPolarHBondContact O-CA 3.47Å; L284-L323 HydrophobicContact CB-CB 4.47Å; L284-L323 PolarHBondContact N-O 3.08Å; L284-L323 PolarHBondContact O-N 3.06Å |
| 285 | D | 94.8 | Very high | 89.2 | Confident | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.027 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 131.5 | 166.4 | -67.6 | -39.1 | 0 | 0 | 0 | 109.4 | R122 F287 G295 F296 Q322 R335 | R122-D285 IonicContact CZ-OD2 2.78Å; R122-D285 IonicContact NE-OD2 2.7Å; R122-D285 PolarHBondContact NE-OD2 2.91Å; R122-D285 IonicContact NH2-OD2 3.45Å; R122-D285 PolarHBondContact NH2-OD2 3.31Å; D285-F287 HydrophobicContact CB-CD1 4.16Å; D285-F287 HydrophobicContact CB-CE1 4.36Å; D285-G295 CarbonylContact O-C 3.57Å; D285-G295 WeakPolarHBondContact O-CA 3.33Å; D285-F296 PolarHBondContact O-N 3.28Å; D285-Q322 WeakPolarHBondContact OD1-CB 3.27Å; D285-Q322 WeakPolarHBondContact OD1-CG 3.48Å; D285-Q322 PolarHBondContact OD1-NE2 3.23Å; D285-R335 IonicContact OD1-NH1 3.17Å; D285-R335 PolarHBondContact OD1-NH1 2.89Å; D285-R335 IonicContact OD2-NH1 2.79Å; D285-R335 PolarHBondContact OD2-NH1 2.83Å |
| 286 | I | 96.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 119.7 | 176 | -50.8 | 174.9 | 0 | 0 | 0 | 107.9 | V264 L284 F296 L298 G320 I321 L323 L419 | V264-I286 HydrophobicContact CG1-CD1 4.04Å; V264-I286 HydrophobicContact CG2-CD1 4.43Å; L284-I286 HydrophobicContact CD2-CD1 4.04Å; L284-I286 HydrophobicContact CD2-CG1 3.84Å; L284-I286 HydrophobicContact CG-CG1 3.92Å; I286-F296 WeakPolarHBondContact CA-O 3.45Å; I286-F296 HydrophobicContact CG1-CB 4.15Å; I286-F296 HydrophobicContact CG1-CD1 4.47Å; I286-F296 HydrophobicContact CG2-CB 4.3Å; I286-F296 HydrophobicContact CG2-CD1 4.13Å; I286-F296 HydrophobicContact CG2-CG 4.44Å; I286-L298 HydrophobicContact CG2-CD1 4.02Å; I286-L298 HydrophobicContact CG2-CD2 4.1Å; I286-L298 HydrophobicContact CG2-CG 4Å; I286-G320 CarbonylContact O-C 3.57Å; I286-G320 VanDerWaalsContact O-CA 3.25Å; I286-G320 WeakPolarHBondContact O-CA 3.36Å; I286-I321 HydrophobicContact CB-CG1 4Å; I286-I321 HydrophobicContact CD1-CD1 4.25Å; I286-I321 HydrophobicContact CD1-CG1 4.32Å; I286-I321 HydrophobicContact CG1-CG1 4.45Å; I286-I321 PolarHBondContact N-O 3.49Å; I286-I321 PolarHBondContact O-N 2.96Å; I286-L323 HydrophobicContact CD1-CD1 3.61Å; I286-L323 HydrophobicContact CD1-CG 4.01Å; I286-L419 HydrophobicContact CD1-CD1 3.78Å; I286-L419 HydrophobicContact CG2-CD1 4.11Å; I286-L419 HydrophobicContact CG2-CD2 4.48Å |
| 287 | F | 95.4 | Very high | 89.2 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 165.3 | -169.8 | 55 | -91.4 | 0 | 0 | 0 | 111.5 | D285 L290 G293 F296 C297 L298 G318 | D285-F287 HydrophobicContact CB-CD1 4.16Å; D285-F287 HydrophobicContact CB-CE1 4.36Å; F287-L290 HydrophobicContact CD2-CB 3.45Å; F287-L290 VanDerWaalsContact CD2-CB 3.45Å; F287-L290 HydrophobicContact CE2-CB 3.59Å; F287-L290 HydrophobicContact CG-CB 3.99Å; F287-L290 HydrophobicContact CZ-CB 4.23Å; F287-G293 WeakPolarHBondContact CZ-O 3.06Å; F287-F296 PolarHBondContact N-O 2.98Å; F287-F296 VanDerWaalsContact N-O 3.12Å; F287-C297 HydrophobicContact CD2-CB 4.38Å; F287-C297 HydrophobicContact CE2-CB 3.71Å; F287-C297 HydrophobicContact CZ-CB 4.04Å; F287-L298 PolarHBondContact O-N 3.46Å; F287-G318 WeakPolarHBondContact CB-O 3.16Å |
| 288 | Y | 93.6 | Very high | 89.2 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 26% | 0.263 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -83.4 | -55.9 | 177.6 | -175.7 | -108.8 | 0 | 0 | 0 | 112.3 | C297 G299 R314 G318 | Y288-C297 PolarHBondContact O-SG 3.31Å; Y288-G299 WeakPolarHBondContact O-CA 3.32Å; Y288-G299 PolarHBondContact O-N 2.69Å; Y288-R314 HydrophobicContact CD2-CB 4.2Å; Y288-R314 WeakPolarHBondContact CD2-O 3.39Å; Y288-R314 HydrophobicContact CE2-CB 3.68Å; Y288-R314 HydrophobicContact CE2-CG 4.36Å; Y288-R314 VanDerWaalsContact CG-O 3.31Å; Y288-G318 PolarHBondContact N-O 2.84Å |
| 289 | D | 84.4 | Confident | 89 | Confident | 107 Ų | 107 | 50.1 Ų | 50.1 | 57% | 0.572 | 29% | 0.285 | S | S | * | . | trans | -147.2 | 126 | 174.7 | -175.1 | 14.4 | 0 | 0 | 0 | 108.8 | ||||
| 290 | L | 80.6 | Confident | 88.9 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | trans | -147.9 | 105.9 | 176.3 | -169.5 | 63.5 | 0 | 0 | 0 | 108.1 | G120 F287 Q292 G293 | G120-L290 WeakPolarHBondContact O-CD1 3.35Å; F287-L290 HydrophobicContact CD2-CB 3.45Å; F287-L290 VanDerWaalsContact CD2-CB 3.45Å; F287-L290 HydrophobicContact CE2-CB 3.59Å; F287-L290 HydrophobicContact CG-CB 3.99Å; F287-L290 HydrophobicContact CZ-CB 4.23Å; L290-Q292 PolarHBondContact O-N 2.94Å; L290-G293 PolarHBondContact O-N 3.4Å | ||
| 291 | P | 70.3 | Confident | 88.8 | Confident | 121 Ų | 121 | 54.4 Ų | 54.4 | 79% | 0.786 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.7 | -172.4 | -28.8 | 34.4 | 0 | 0 | 0 | 115 | ||
| 292 | Q | 71.3 | Confident | 88.5 | Confident | 165 Ų | 165 | 56.5 Ų | 56.5 | 77% | 0.771 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 15.5 | 179.7 | -60.9 | 173.4 | 1.8 | 0 | 0 | 111.9 | L290 | L290-Q292 PolarHBondContact O-N 2.94Š|
| 293 | G | 69.7 | Low | 88.1 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 22% | 0.216 | 31% | 0.313 | C | S | . | . | trans | -85.7 | 127 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F287 L290 | F287-G293 WeakPolarHBondContact CZ-O 3.06Å; L290-G293 PolarHBondContact O-N 3.4Å | ||
| 294 | N | 80.7 | Confident | 87.8 | Confident | 143 Ų | 143 | 60.7 Ų | 60.7 | 77% | 0.765 | 34% | 0.339 | S | S | * | . | trans | -97.9 | 129.9 | 165 | -68.9 | -8.8 | 0 | 0 | 0 | 108.6 | ||||
| 295 | G | 91.3 | Very high | 87.3 | Confident | 31 Ų | 31 | 61.9 Ų | 61.9 | 32% | 0.32 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 146 | -153.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D285 C297 | D285-G295 CarbonylContact O-C 3.57Å; D285-G295 WeakPolarHBondContact O-CA 3.33Å; G295-C297 PolarHBondContact O-N 3.03Å |
| 296 | F | 94.8 | Very high | 87.1 | Confident | 12 Ų | 12 | 70.7 Ų | 70.7 | 5% | 0.053 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 99.8 | -176.7 | -172.4 | -163.9 | 0 | 0 | 0 | 110.9 | V264 Y277 L284 D285 I286 F287 L298 L301 | V264-F296 HydrophobicContact CB-CD1 4.42Å; V264-F296 HydrophobicContact CB-CE1 4.38Å; V264-F296 HydrophobicContact CG1-CD1 4.12Å; V264-F296 HydrophobicContact CG1-CE1 3.99Å; Y277-F296 HydrophobicContact CD1-CB 4.5Å; Y277-F296 HydrophobicContact CD2-CB 3.93Å; Y277-F296 HydrophobicContact CD2-CD1 4.29Å; Y277-F296 AromaticContact CD2-CD2 3.59Å; Y277-F296 HydrophobicContact CD2-CD2 3.59Å; Y277-F296 HydrophobicContact CD2-CE2 4.12Å; Y277-F296 AromaticContact CD2-CG 3.69Å; Y277-F296 HydrophobicContact CD2-CG 3.69Å; Y277-F296 HydrophobicContact CE2-CB 3.97Å; Y277-F296 HydrophobicContact CE2-CD2 4.17Å; Y277-F296 HydrophobicContact CE2-CG 4.22Å; Y277-F296 HydrophobicContact CG-CB 4.2Å; Y277-F296 HydrophobicContact CG-CD1 4.08Å; Y277-F296 HydrophobicContact CG-CD2 4.2Å; Y277-F296 AromaticContact CG-CG 3.92Å; Y277-F296 HydrophobicContact CG-CG 3.92Å; L284-F296 HydrophobicContact CD1-CB 4.24Å; L284-F296 HydrophobicContact CD2-CB 4.35Å; D285-F296 PolarHBondContact O-N 3.28Å; I286-F296 WeakPolarHBondContact CA-O 3.45Å; I286-F296 HydrophobicContact CG1-CB 4.15Å; I286-F296 HydrophobicContact CG1-CD1 4.47Å; I286-F296 HydrophobicContact CG2-CB 4.3Å; I286-F296 HydrophobicContact CG2-CD1 4.13Å; I286-F296 HydrophobicContact CG2-CG 4.44Å; F287-F296 PolarHBondContact N-O 2.98Å; F287-F296 VanDerWaalsContact N-O 3.12Å; F296-L298 HydrophobicContact CD1-CD2 4.21Å; F296-L298 HydrophobicContact CD2-CD2 4.41Å; F296-L298 HydrophobicContact CE1-CD2 3.97Å; F296-L298 HydrophobicContact CE2-CD2 4.18Å; F296-L298 HydrophobicContact CG-CD2 4.43Å; F296-L298 HydrophobicContact CZ-CD2 3.96Å; F296-L301 HydrophobicContact CE2-CD1 3.94Å; F296-L301 HydrophobicContact CE2-CD2 4.15Å; F296-L301 HydrophobicContact CE2-CG 4.38Å; F296-L301 HydrophobicContact CZ-CD1 3.96Å |
| 297 | C | 94.9 | Very high | 87.1 | Confident | 13 Ų | 13 | 72.2 Ų | 72.2 | 9% | 0.088 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 108.1 | -180 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | F287 Y288 G295 G299 Q300 | F287-C297 HydrophobicContact CD2-CB 4.38Å; F287-C297 HydrophobicContact CE2-CB 3.71Å; F287-C297 HydrophobicContact CZ-CB 4.04Å; Y288-C297 PolarHBondContact O-SG 3.31Å; G295-C297 PolarHBondContact O-N 3.03Å; C297-G299 VanDerWaalsContact C-N 3.3Å; C297-G299 PolarHBondContact O-N 3.22Å; C297-Q300 HydrophobicContact CB-CB 4.48Å; C297-Q300 HydrophobicContact CB-CG 4.15Å; C297-Q300 PolarHBondContact O-N 2.9Å |
| 298 | L | 95.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -73.5 | -21.5 | -179.5 | -56.7 | -179.2 | 0 | 0 | 0 | 113 | Y266 I286 F287 F296 Q300 L301 R314 I317 F399 | Y266-L298 HydrophobicContact CD1-CD2 4.25Å; Y266-L298 HydrophobicContact CD2-CD1 3.94Å; Y266-L298 HydrophobicContact CD2-CD2 3.87Å; Y266-L298 HydrophobicContact CD2-CG 4.49Å; Y266-L298 HydrophobicContact CE2-CD1 3.92Å; Y266-L298 HydrophobicContact CE2-CD2 4.48Å; Y266-L298 HydrophobicContact CG-CD2 3.75Å; I286-L298 HydrophobicContact CG2-CD1 4.02Å; I286-L298 HydrophobicContact CG2-CD2 4.1Å; I286-L298 HydrophobicContact CG2-CG 4Å; F287-L298 PolarHBondContact O-N 3.46Å; F296-L298 HydrophobicContact CD1-CD2 4.21Å; F296-L298 HydrophobicContact CD2-CD2 4.41Å; F296-L298 HydrophobicContact CE1-CD2 3.97Å; F296-L298 HydrophobicContact CE2-CD2 4.18Å; F296-L298 HydrophobicContact CG-CD2 4.43Å; F296-L298 HydrophobicContact CZ-CD2 3.96Å; L298-Q300 VanDerWaalsContact C-N 3.28Å; L298-Q300 PolarHBondContact O-N 3.42Å; L298-L301 HydrophobicContact CD2-CD1 3.85Å; L298-L301 WeakPolarHBondContact O-CB 3.19Å; L298-L301 PolarHBondContact O-N 2.97Å; L298-R314 PolarHBondContact O-NH2 3.15Å; L298-I317 HydrophobicContact CD1-CD1 3.9Å; L298-I317 HydrophobicContact CD1-CG2 4.41Å; L298-F399 HydrophobicContact CD1-CE2 3.97Å; L298-F399 HydrophobicContact CD1-CZ 4.21Å |
| 299 | G | 92.1 | Very high | 87.2 | Confident | 34 Ų | 34 | 79.4 Ų | 79.4 | 35% | 0.351 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -69.7 | -24.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y288 C297 L301 | Y288-G299 WeakPolarHBondContact O-CA 3.32Å; Y288-G299 PolarHBondContact O-N 2.69Å; C297-G299 VanDerWaalsContact C-N 3.3Å; C297-G299 PolarHBondContact O-N 3.22Å; G299-L301 VanDerWaalsContact C-N 3.28Å |
| 300 | Q | 91.8 | Very high | 87.8 | Confident | 155 Ų | 155 | 74.3 Ų | 74.3 | 72% | 0.724 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -81.7 | -7.7 | 175.6 | -69.3 | 173.7 | -8.3 | 0 | 0 | 113.1 | C297 L298 | C297-Q300 HydrophobicContact CB-CB 4.48Å; C297-Q300 HydrophobicContact CB-CG 4.15Å; C297-Q300 PolarHBondContact O-N 2.9Å; L298-Q300 VanDerWaalsContact C-N 3.28Å; L298-Q300 PolarHBondContact O-N 3.42Å |
| 301 | L | 91.5 | Very high | 88.4 | Confident | 29 Ų | 29 | 78.1 Ų | 78.1 | 15% | 0.152 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -81.4 | 127.3 | 177.8 | -58.4 | 179.8 | 0 | 0 | 0 | 110.3 | Y266 V273 F296 L298 G299 S303 | Y266-L301 HydrophobicContact CD1-CD1 3.51Å; Y266-L301 HydrophobicContact CE1-CD1 4.32Å; Y266-L301 HydrophobicContact CG-CD1 4.07Å; V273-L301 HydrophobicContact CG1-CB 4Å; F296-L301 HydrophobicContact CE2-CD1 3.94Å; F296-L301 HydrophobicContact CE2-CD2 4.15Å; F296-L301 HydrophobicContact CE2-CG 4.38Å; F296-L301 HydrophobicContact CZ-CD1 3.96Å; L298-L301 HydrophobicContact CD2-CD1 3.85Å; L298-L301 WeakPolarHBondContact O-CB 3.19Å; L298-L301 PolarHBondContact O-N 2.97Å; G299-L301 VanDerWaalsContact C-N 3.28Å; L301-S303 PolarHBondContact O-N 2.71Å; L301-S303 VanDerWaalsContact O-N 3.11Å |
| 302 | N | 86.3 | Confident | 89.7 | Confident | 144 Ų | 144 | 78.8 Ų | 78.8 | 77% | 0.77 | 41% | 0.413 | S | S | * | . | trans | -66 | 109.7 | 173.4 | -67.1 | -8.5 | 0 | 0 | 0 | 109.2 | V273 | V273-N302 WeakPolarHBondContact CG1-O 3.32Š| ||
| 303 | S | 86.1 | Confident | 90.9 | Very high | 37 Ų | 37 | 71 Ų | 71 | 26% | 0.259 | 38% | 0.376 | S | S | . | . | trans | -100.8 | 115.7 | 173 | 170.2 | 0 | 0 | 0 | 0 | 108.8 | E268 L301 N305 | E268-S303 WeakPolarHBondContact OE2-CB 3.2Å; E268-S303 PolarHBondContact OE2-OG 2.86Å; L301-S303 PolarHBondContact O-N 2.71Å; L301-S303 VanDerWaalsContact O-N 3.11Å; S303-N305 PolarHBondContact OG-N 2.85Å | ||
| 304 | D | 87.6 | Confident | 92.1 | Very high | 152 Ų | 152 | 70.8 Ų | 70.8 | 81% | 0.813 | 37% | 0.369 | S | S | * | . | trans | -85.3 | 1.9 | 170.5 | -61.1 | -39.6 | 0 | 0 | 0 | 111.8 | K306 | D304-K306 PolarHBondContact O-N 2.89Š| ||
| 305 | N | 85.3 | Confident | 92.7 | Very high | 33 Ų | 33 | 67.5 Ų | 67.5 | 18% | 0.176 | 36% | 0.357 | C | S | . | . | trans | -77 | 114.8 | -175.9 | -164.7 | -34.7 | 0 | 0 | 0 | 110.8 | E268 E269 S303 S307 V310 | E268-N305 VanDerWaalsContact OE2-CB 3.3Å; E268-N305 WeakPolarHBondContact OE2-CB 3.38Å; E269-N305 PolarHBondContact OE2-ND2 3.05Å; S303-N305 PolarHBondContact OG-N 2.85Å; N305-S307 VanDerWaalsContact C-N 3.29Å; N305-S307 PolarHBondContact O-N 3.1Å; N305-S307 WeakPolarHBondContact OD1-CB 3.37Å; N305-S307 PolarHBondContact OD1-N 3.33Å; N305-V310 HydrophobicContact CB-CG1 4.42Å | ||
| 306 | K | 90.6 | Very high | 92.9 | Very high | 189 Ų | 189 | 69.1 Ų | 69.1 | 82% | 0.822 | 36% | 0.355 | S | S | * | . | trans | -83.7 | 1.3 | -179.8 | -59.7 | -177.4 | -177.6 | 177.3 | 0 | 113.8 | D304 Q308 | D304-K306 PolarHBondContact O-N 2.89Å; K306-Q308 PolarHBondContact O-N 2.84Å | ||
| 307 | S | 95.6 | Very high | 93 | Very high | 32 Ų | 32 | 68.6 Ų | 68.6 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | trans | -64.4 | 117.4 | 179 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | E269 N305 L309 V310 Q311 | E269-S307 PolarHBondContact OE1-OG 3.45Å; N305-S307 VanDerWaalsContact C-N 3.29Å; N305-S307 PolarHBondContact O-N 3.1Å; N305-S307 WeakPolarHBondContact OD1-CB 3.37Å; N305-S307 PolarHBondContact OD1-N 3.33Å; S307-L309 PolarHBondContact O-N 3.04Å; S307-V310 PolarHBondContact O-N 3.26Å; S307-V310 VanDerWaalsContact O-N 3.11Å; S307-Q311 PolarHBondContact O-N 2.98Å; S307-Q311 VanDerWaalsContact O-N 3.11Å | ||
| 308 | Q | 95.7 | Very high | 92.9 | Very high | 166 Ų | 166 | 69.3 Ų | 69.3 | 78% | 0.776 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.4 | -32.2 | 176.4 | -66.7 | -176 | -6.5 | 0 | 0 | 112.1 | K306 K312 | K306-Q308 PolarHBondContact O-N 2.84Å; Q308-K312 VanDerWaalsContact O-CB 3.31Å; Q308-K312 WeakPolarHBondContact O-CB 3.3Å; Q308-K312 PolarHBondContact O-N 3.3Å |
| 309 | L | 95.8 | Very high | 92.9 | Very high | 56 Ų | 56 | 70.7 Ų | 70.7 | 29% | 0.293 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69 | -41.2 | 178 | 179.8 | 61.7 | 0 | 0 | 0 | 111.6 | S307 K312 V313 R409 P416 | S307-L309 PolarHBondContact O-N 3.04Å; L309-K312 PolarHBondContact O-N 2.78Å; L309-V313 HydrophobicContact CD1-CG2 4.31Å; L309-V313 WeakPolarHBondContact O-CG2 3.44Å; L309-V313 PolarHBondContact O-N 3.3Å; L309-R409 VanDerWaalsContact CD2-NH2 3.28Å; L309-P416 HydrophobicContact CD1-CG 4.41Å; L309-P416 HydrophobicContact CD2-CG 3.62Å; L309-P416 HydrophobicContact CG-CB 4.21Å; L309-P416 HydrophobicContact CG-CG 3.62Å |
| 310 | V | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.7 | -50 | 175.4 | 173.3 | 0 | 0 | 0 | 0 | 109.8 | E268 E269 N305 S307 K312 V313 R314 P416 | E268-V310 HydrophobicContact CB-CG1 4.08Å; E268-V310 HydrophobicContact CG-CG1 3.84Å; E269-V310 HydrophobicContact CG-CG2 4.03Å; N305-V310 HydrophobicContact CB-CG1 4.42Å; S307-V310 PolarHBondContact O-N 3.26Å; S307-V310 VanDerWaalsContact O-N 3.11Å; V310-K312 VanDerWaalsContact C-N 3.3Å; V310-K312 PolarHBondContact O-N 2.7Å; V310-V313 PolarHBondContact O-N 2.98Å; V310-R314 HydrophobicContact CG1-CG 4.22Å; V310-R314 WeakPolarHBondContact O-CB 3.47Å; V310-R314 WeakPolarHBondContact O-CG 3.4Å; V310-R314 PolarHBondContact O-N 3.16Å; V310-P416 HydrophobicContact CB-CB 4.45Å; V310-P416 HydrophobicContact CG2-CB 3.88Å |
| 311 | Q | 94.4 | Very high | 93.3 | Very high | 108 Ų | 108 | 61.7 Ų | 61.7 | 51% | 0.505 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.2 | -41.3 | 177.6 | -66.1 | 176.2 | -5.8 | 0 | 0 | 112.4 | S307 V313 R314 S315 | S307-Q311 PolarHBondContact O-N 2.98Å; S307-Q311 VanDerWaalsContact O-N 3.11Å; Q311-V313 PolarHBondContact O-N 2.79Å; Q311-R314 PolarHBondContact O-N 3.39Å; Q311-S315 PolarHBondContact O-N 3.4Å; Q311-S315 PolarHBondContact O-OG 3.42Å |
| 312 | K | 95.8 | Very high | 93.5 | Very high | 135 Ų | 135 | 60.5 Ų | 60.5 | 59% | 0.587 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.5 | -31.9 | 176.4 | -173.1 | 172.2 | -174.6 | 169.6 | 0 | 113.4 | Q308 L309 V310 S315 K316 | Q308-K312 VanDerWaalsContact O-CB 3.31Å; Q308-K312 WeakPolarHBondContact O-CB 3.3Å; Q308-K312 PolarHBondContact O-N 3.3Å; L309-K312 PolarHBondContact O-N 2.78Å; V310-K312 VanDerWaalsContact C-N 3.3Å; V310-K312 PolarHBondContact O-N 2.7Å; K312-S315 PolarHBondContact O-OG 3.05Å; K312-K316 WeakPolarHBondContact O-CG 3.15Å |
| 313 | V | 97.1 | Very high | 94 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -79.1 | -41.7 | 175.5 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | L309 V310 Q311 S315 K316 I317 F399 V400 K401 P416 C417 | L309-V313 HydrophobicContact CD1-CG2 4.31Å; L309-V313 WeakPolarHBondContact O-CG2 3.44Å; L309-V313 PolarHBondContact O-N 3.3Å; V310-V313 PolarHBondContact O-N 2.98Å; Q311-V313 PolarHBondContact O-N 2.79Å; V313-S315 VanDerWaalsContact C-N 3.33Å; V313-S315 PolarHBondContact O-N 3.26Å; V313-K316 WeakPolarHBondContact O-CA 3.42Å; V313-K316 WeakPolarHBondContact O-CB 3.27Å; V313-K316 PolarHBondContact O-N 3.08Å; V313-I317 PolarHBondContact O-N 3.07Å; V313-F399 HydrophobicContact CG1-CB 4.34Å; V313-F399 WeakPolarHBondContact CG1-O 3.22Å; V313-V400 HydrophobicContact CG1-CB 4.07Å; V313-V400 HydrophobicContact CG1-CG2 4.02Å; V313-V400 HydrophobicContact CG2-CB 4.44Å; V313-K401 HydrophobicContact CG2-CG 4.14Å; V313-P416 HydrophobicContact CB-CB 4.05Å; V313-P416 HydrophobicContact CG1-CB 4.44Å; V313-P416 HydrophobicContact CG2-CB 3.95Å; V313-P416 HydrophobicContact CG2-CG 3.96Å; V313-C417 HydrophobicContact CG1-CB 3.77Å |
| 314 | R | 95.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 52.3 Ų | 52.3 | 6% | 0.057 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -50.1 | -51.2 | 174.2 | -78.1 | 176.8 | 71.9 | 68.6 | 3.2 | 111.6 | Y266 E268 Y288 L298 V310 Q311 K316 I317 | Y266-R314 PolarHBondContact OH-NH1 3.46Å; Y266-R314 VanDerWaalsContact OH-NH1 3.15Å; E268-R314 WeakPolarHBondContact OE1-CD 3.46Å; E268-R314 IonicContact OE1-CZ 3.42Å; E268-R314 IonicContact OE1-NE 3.58Å; E268-R314 IonicContact OE1-NH1 2.68Å; E268-R314 PolarHBondContact OE1-NH1 3.42Å; Y288-R314 HydrophobicContact CD2-CB 4.2Å; Y288-R314 WeakPolarHBondContact CD2-O 3.39Å; Y288-R314 HydrophobicContact CE2-CB 3.68Å; Y288-R314 HydrophobicContact CE2-CG 4.36Å; Y288-R314 VanDerWaalsContact CG-O 3.31Å; L298-R314 PolarHBondContact O-NH2 3.15Å; V310-R314 HydrophobicContact CG1-CG 4.22Å; V310-R314 WeakPolarHBondContact O-CB 3.47Å; V310-R314 WeakPolarHBondContact O-CG 3.4Å; V310-R314 PolarHBondContact O-N 3.16Å; Q311-R314 PolarHBondContact O-N 3.39Å; R314-K316 PolarHBondContact O-N 3.38Å; R314-K316 VanDerWaalsContact O-N 3.16Å; R314-I317 WeakPolarHBondContact O-CB 3.47Å; R314-I317 PolarHBondContact O-N 3.31Å; R314-I317 VanDerWaalsContact O-N 3.15Å |
| 315 | S | 93.1 | Very high | 94.9 | Very high | 75 Ų | 75 | 50.1 Ų | 50.1 | 52% | 0.524 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65 | -19.1 | 179.1 | 64.7 | 0 | 0 | 0 | 0 | 114.4 | Q311 K312 V313 | Q311-S315 PolarHBondContact O-N 3.4Å; Q311-S315 PolarHBondContact O-OG 3.42Å; K312-S315 PolarHBondContact O-OG 3.05Å; V313-S315 VanDerWaalsContact C-N 3.33Å; V313-S315 PolarHBondContact O-N 3.26Å |
| 316 | K | 96.2 | Very high | 95.3 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -89.8 | -13.4 | 177.7 | -74.5 | -176.3 | 174.3 | -143.7 | 0 | 114.2 | K312 V313 R314 G318 Y338 V400 | K312-K316 WeakPolarHBondContact O-CG 3.15Å; V313-K316 WeakPolarHBondContact O-CA 3.42Å; V313-K316 WeakPolarHBondContact O-CB 3.27Å; V313-K316 PolarHBondContact O-N 3.08Å; R314-K316 PolarHBondContact O-N 3.38Å; R314-K316 VanDerWaalsContact O-N 3.16Å; K316-G318 VanDerWaalsContact C-N 3.29Å; K316-G318 PolarHBondContact O-N 2.88Å; K316-Y338 HydrophobicContact CB-CD2 3.79Å; K316-Y338 HydrophobicContact CB-CE2 3.66Å; K316-Y338 HydrophobicContact CD-CD2 4.41Å; K316-Y338 HydrophobicContact CD-CE1 3.99Å; K316-Y338 HydrophobicContact CD-CE2 3.9Å; K316-Y338 WeakPolarHBondContact CE-OH 3.41Å; K316-Y338 HydrophobicContact CG-CD2 4.23Å; K316-Y338 HydrophobicContact CG-CE2 3.61Å; K316-Y338 PolarHBondContact NZ-OH 3.04Å; K316-Y338 VanDerWaalsContact O-CD2 3.28Å; K316-Y338 WeakPolarHBondContact O-CD2 3.37Å; K316-V400 HydrophobicContact CB-CG2 3.78Å; K316-V400 HydrophobicContact CD-CG1 4.19Å |
| 317 | I | 96.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 177.3 | -65.1 | 172.3 | 0 | 0 | 0 | 109.7 | L298 V313 R314 C319 G320 S336 F399 C417 | L298-I317 HydrophobicContact CD1-CD1 3.9Å; L298-I317 HydrophobicContact CD1-CG2 4.41Å; V313-I317 PolarHBondContact O-N 3.07Å; R314-I317 WeakPolarHBondContact O-CB 3.47Å; R314-I317 PolarHBondContact O-N 3.31Å; R314-I317 VanDerWaalsContact O-N 3.15Å; I317-C319 PolarHBondContact O-N 3.02Å; I317-G320 WeakPolarHBondContact O-CA 3.25Å; I317-G320 PolarHBondContact O-N 3.49Å; I317-S336 WeakPolarHBondContact O-CB 3.41Å; I317-F399 HydrophobicContact CD1-CB 4.42Å; I317-F399 HydrophobicContact CD1-CD2 3.79Å; I317-F399 HydrophobicContact CD1-CE2 4.11Å; I317-F399 HydrophobicContact CD1-CG 4.06Å; I317-F399 HydrophobicContact CG1-CB 3.87Å; I317-F399 HydrophobicContact CG1-CD1 4.06Å; I317-F399 HydrophobicContact CG1-CD2 4.01Å; I317-F399 HydrophobicContact CG1-CG 3.73Å; I317-F399 HydrophobicContact CG2-CD1 4.09Å; I317-F399 HydrophobicContact CG2-CE1 3.91Å; I317-F399 HydrophobicContact CG2-CZ 4.2Å; I317-C417 HydrophobicContact CD1-CB 4.21Å |
| 318 | G | 94 | Very high | 95.1 | Very high | 29 Ų | 29 | 49.5 Ų | 49.5 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | -123.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | F287 Y288 K316 G320 | F287-G318 WeakPolarHBondContact CB-O 3.16Å; Y288-G318 PolarHBondContact N-O 2.84Å; K316-G318 VanDerWaalsContact C-N 3.29Å; K316-G318 PolarHBondContact O-N 2.88Å; G318-G320 PolarHBondContact O-N 3.34Å |
| 319 | C | 93.5 | Very high | 95.1 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -7.7 | 177.3 | -62.9 | 0 | 0 | 0 | 0 | 114.5 | G120 I317 I321 R335 | G120-C319 WeakPolarHBondContact CA-SG 3.04Å; I317-C319 PolarHBondContact O-N 3.02Å; C319-I321 PolarHBondContact O-N 2.95Å; C319-R335 HydrophobicContact CB-CB 4Å; C319-R335 WeakPolarHBondContact CB-O 3.34Å |
| 320 | G | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | 58 | -126.4 | 171 | 0 | 0 | 0 | 0 | 0 | 114.6 | I286 I317 G318 R335 S336 | I286-G320 CarbonylContact O-C 3.57Å; I286-G320 VanDerWaalsContact O-CA 3.25Å; I286-G320 WeakPolarHBondContact O-CA 3.36Å; I317-G320 WeakPolarHBondContact O-CA 3.25Å; I317-G320 PolarHBondContact O-N 3.49Å; G318-G320 PolarHBondContact O-N 3.34Å; G320-R335 CarbonylContact O-C 3.52Å; G320-R335 WeakPolarHBondContact O-CA 3.18Å; G320-R335 WeakPolarHBondContact O-CB 3.32Å; G320-R335 PolarHBondContact O-N 3.39Å; G320-S336 PolarHBondContact O-N 3.27Å | ||
| 321 | I | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 160.7 | -174.2 | 63.6 | 173.3 | 0 | 0 | 0 | 111.7 | I286 C319 L323 V332 Y333 I340 I397 F399 L419 | I286-I321 HydrophobicContact CB-CG1 4Å; I286-I321 HydrophobicContact CD1-CD1 4.25Å; I286-I321 HydrophobicContact CD1-CG1 4.32Å; I286-I321 HydrophobicContact CG1-CG1 4.45Å; I286-I321 PolarHBondContact N-O 3.49Å; I286-I321 PolarHBondContact O-N 2.96Å; C319-I321 PolarHBondContact O-N 2.95Å; I321-L323 HydrophobicContact CD1-CD2 3.93Å; I321-L323 HydrophobicContact CD1-CG 4.34Å; I321-V332 HydrophobicContact CB-CG1 4.2Å; I321-V332 HydrophobicContact CD1-CG1 4.07Å; I321-V332 HydrophobicContact CG2-CG1 4.31Å; I321-Y333 CarbonylContact C-O 3.46Å; I321-Y333 VanDerWaalsContact CA-O 3.29Å; I321-Y333 WeakPolarHBondContact CA-O 3.43Å; I321-I340 HydrophobicContact CG2-CD1 3.56Å; I321-I340 HydrophobicContact CG2-CG2 4.05Å; I321-I397 HydrophobicContact CD1-CD1 3.83Å; I321-I397 HydrophobicContact CD1-CG2 4.4Å; I321-F399 HydrophobicContact CG2-CE1 4.11Å; I321-L419 HydrophobicContact CD1-CD1 3.79Å |
| 322 | Q | 96.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.7 | 164.8 | 176.4 | 172.6 | 86.8 | 0 | 0 | 108.9 | L284 D285 V332 Y333 | L284-Q322 CarbonylContact O-C 3.44Å; L284-Q322 WeakPolarHBondContact O-CA 3.47Å; D285-Q322 WeakPolarHBondContact OD1-CB 3.27Å; D285-Q322 WeakPolarHBondContact OD1-CG 3.48Å; D285-Q322 PolarHBondContact OD1-NE2 3.23Å; Q322-V332 WeakPolarHBondContact O-CA 3.22Å; Q322-Y333 HydrophobicContact CB-CD1 4.32Å; Q322-Y333 PolarHBondContact N-O 3.36Å; Q322-Y333 PolarHBondContact O-N 3.03Å |
| 323 | L | 97.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 132.1 | 169.1 | -61 | -177.1 | 0 | 0 | 0 | 108.7 | W261 V264 S283 L284 I286 I321 W331 V332 I397 V421 | W261-L323 HydrophobicContact CH2-CB 4.45Å; V264-L323 HydrophobicContact CG2-CD1 4.07Å; S283-L323 CarbonylContact C-O 3.58Å; S283-L323 VanDerWaalsContact CA-O 3.22Å; S283-L323 WeakPolarHBondContact CA-O 3.29Å; L284-L323 HydrophobicContact CB-CB 4.47Å; L284-L323 PolarHBondContact N-O 3.08Å; L284-L323 PolarHBondContact O-N 3.06Å; I286-L323 HydrophobicContact CD1-CD1 3.61Å; I286-L323 HydrophobicContact CD1-CG 4.01Å; I321-L323 HydrophobicContact CD1-CD2 3.93Å; I321-L323 HydrophobicContact CD1-CG 4.34Å; L323-W331 WeakPolarHBondContact CA-O 3.39Å; L323-V332 HydrophobicContact CD2-CB 4.35Å; L323-V332 HydrophobicContact CD2-CG1 4.24Å; L323-V332 HydrophobicContact CD2-CG2 3.6Å; L323-I397 HydrophobicContact CD2-CD1 4.2Å; L323-V421 HydrophobicContact CD1-CG1 4.27Å; L323-V421 HydrophobicContact CD1-CG2 3.97Å |
| 324 | T | 96.5 | Very high | 95.4 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 126.5 | 178.6 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | C178 P282 E326 V330 W331 | C178-T324 HydrophobicContact CB-CG2 3.77Å; C178-T324 WeakPolarHBondContact SG-CG2 3.42Å; C178-T324 PolarHBondContact SG-OG1 3.42Å; P282-T324 CarbonylContact O-C 3.39Å; P282-T324 WeakPolarHBondContact O-CA 3.37Å; T324-E326 HydrophobicContact CG2-CG 3.69Å; T324-V330 CarbonylContact O-C 3.53Å; T324-V330 WeakPolarHBondContact O-CA 3.39Å; T324-W331 PolarHBondContact N-O 3.3Å; T324-W331 PolarHBondContact O-N 2.99Å |
| 325 | R | 95.5 | Very high | 95.4 | Very high | 105 Ų | 105 | 30.1 Ų | 30.1 | 40% | 0.396 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 113.6 | 166.8 | 178.2 | 171.5 | 68.5 | 164.1 | -1.3 | 109.1 | W261 P282 Y371 | W261-R325 VanDerWaalsContact CB-NH1 3.3Å; W261-R325 HydrophobicContact CD2-CB 4.02Å; W261-R325 HydrophobicContact CE3-CB 4.07Å; W261-R325 HydrophobicContact CH2-CB 4.16Å; W261-R325 HydrophobicContact CZ2-CB 4.11Å; W261-R325 HydrophobicContact CZ3-CB 4.12Å; P282-R325 PolarHBondContact O-N 2.89Å; R325-Y371 WeakPolarHBondContact CD-OH 3.37Å; R325-Y371 WeakPolarHBondContact CG-OH 3.35Å |
| 326 | E | 93.9 | Very high | 95.5 | Very high | 25 Ų | 25 | 26.9 Ų | 26.9 | 12% | 0.117 | 14% | 0.141 | C | C | . | . | trans | -114 | 171.5 | 176 | -57.7 | -173.7 | -154.1 | 0 | 0 | 109.8 | K175 Y183 T324 D328 G329 | K175-E326 IonicContact NZ-OE1 2.73Å; K175-E326 PolarHBondContact NZ-OE1 2.69Å; K175-E326 IonicContact NZ-OE2 2.97Å; K175-E326 PolarHBondContact NZ-OE2 3.16Å; Y183-E326 WeakPolarHBondContact OH-CG 3.48Å; Y183-E326 PolarHBondContact OH-OE2 3.18Å; T324-E326 HydrophobicContact CG2-CG 3.69Å; E326-D328 PolarHBondContact O-N 3.21Å; E326-G329 CarbonylContact C-O 3.49Å; E326-G329 WeakPolarHBondContact CA-O 3.41Å; E326-G329 PolarHBondContact N-O 3.31Å; E326-G329 PolarHBondContact O-N 3.47Å; E326-G329 VanDerWaalsContact O-O 3.14Å | ||
| 327 | V | 91 | Very high | 95.4 | Very high | 153 Ų | 153 | 28.8 Ų | 28.8 | 93% | 0.927 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -62.5 | -30.8 | -177 | -65.2 | 0 | 0 | 0 | 0 | 113 | ||
| 328 | D | 91.2 | Very high | 95.5 | Very high | 63 Ų | 63 | 32.8 Ų | 32.8 | 34% | 0.337 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -92 | -17.9 | -176.8 | 71.7 | -37.9 | 0 | 0 | 0 | 112.4 | E326 W331 K367 | E326-D328 PolarHBondContact O-N 3.21Å; D328-W331 PolarHBondContact OD1-NE1 3.09Å; D328-W331 PolarHBondContact OD2-NE1 3.3Å; D328-K367 WeakPolarHBondContact O-CE 3.48Å; D328-K367 PolarHBondContact O-NZ 2.91Å; D328-K367 WeakPolarHBondContact OD2-CE 3.43Å; D328-K367 IonicContact OD2-NZ 3.38Å; D328-K367 PolarHBondContact OD2-NZ 3.01Å |
| 329 | G | 94.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | 161.9 | -168.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E326 F369 | E326-G329 CarbonylContact C-O 3.49Å; E326-G329 WeakPolarHBondContact CA-O 3.41Å; E326-G329 PolarHBondContact N-O 3.31Å; E326-G329 PolarHBondContact O-N 3.47Å; E326-G329 VanDerWaalsContact O-O 3.14Å; G329-F369 CarbonylContact C-O 3.55Å; G329-F369 WeakPolarHBondContact CA-O 3.36Å | ||
| 330 | V | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 125.8 | 175.5 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | W261 T324 K367 A368 F369 Y371 F423 | W261-V330 HydrophobicContact CE3-CG2 4.38Å; W261-V330 HydrophobicContact CH2-CG1 3.86Å; W261-V330 HydrophobicContact CZ3-CB 4.41Å; W261-V330 HydrophobicContact CZ3-CG1 3.71Å; W261-V330 HydrophobicContact CZ3-CG2 3.74Å; T324-V330 CarbonylContact O-C 3.53Å; T324-V330 WeakPolarHBondContact O-CA 3.39Å; V330-K367 CarbonylContact O-C 3.55Å; V330-A368 PolarHBondContact O-N 3.39Å; V330-F369 HydrophobicContact CB-CB 3.81Å; V330-F369 HydrophobicContact CG2-CB 4.07Å; V330-F369 HydrophobicContact CG2-CD1 4.14Å; V330-F369 PolarHBondContact N-O 3.18Å; V330-F369 PolarHBondContact O-N 3.38Å; V330-F369 VanDerWaalsContact O-N 3.1Å; V330-Y371 WeakPolarHBondContact CG2-OH 3.38Å; V330-F423 HydrophobicContact CB-CE1 4.14Å; V330-F423 HydrophobicContact CB-CZ 4.16Å; V330-F423 HydrophobicContact CG1-CE1 4Å; V330-F423 HydrophobicContact CG1-CZ 4.19Å; V330-F423 HydrophobicContact CG2-CD1 4.14Å; V330-F423 HydrophobicContact CG2-CE1 3.71Å; V330-F423 HydrophobicContact CG2-CZ 4.11Å |
| 331 | W | 97.6 | Very high | 96 | Very high | 34 Ų | 34 | 31.9 Ų | 31.9 | 13% | 0.129 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 145.1 | -179.9 | -70.9 | 82.1 | 0 | 0 | 0 | 111.5 | K175 L201 L323 T324 D328 I366 K367 | K175-W331 HydrophobicContact CD-CD2 4.15Å; K175-W331 HydrophobicContact CD-CE3 3.71Å; K175-W331 HydrophobicContact CD-CH2 4.09Å; K175-W331 HydrophobicContact CD-CZ2 4.48Å; K175-W331 HydrophobicContact CD-CZ3 3.7Å; K175-W331 VanDerWaalsContact NZ-CG 3.27Å; L201-W331 HydrophobicContact CD2-CH2 3.83Å; L201-W331 HydrophobicContact CD2-CZ3 3.61Å; L323-W331 WeakPolarHBondContact CA-O 3.39Å; T324-W331 PolarHBondContact N-O 3.3Å; T324-W331 PolarHBondContact O-N 2.99Å; D328-W331 PolarHBondContact OD1-NE1 3.09Å; D328-W331 PolarHBondContact OD2-NE1 3.3Å; W331-I366 WeakPolarHBondContact CA-O 3.47Å; W331-K367 HydrophobicContact CD2-CB 3.9Å; W331-K367 HydrophobicContact CD2-CG 4.31Å; W331-K367 HydrophobicContact CE3-CB 4.04Å; W331-K367 VanDerWaalsContact CE3-N 3.34Å; W331-K367 HydrophobicContact CH2-CB 3.88Å; W331-K367 HydrophobicContact CZ2-CB 3.74Å; W331-K367 HydrophobicContact CZ2-CD 4.19Å; W331-K367 HydrophobicContact CZ2-CG 4.1Å; W331-K367 HydrophobicContact CZ3-CB 4.02Å |
| 332 | V | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 118.2 | 173.3 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | I321 Q322 L323 I340 I342 S365 I366 A368 I397 | I321-V332 HydrophobicContact CB-CG1 4.2Å; I321-V332 HydrophobicContact CD1-CG1 4.07Å; I321-V332 HydrophobicContact CG2-CG1 4.31Å; Q322-V332 WeakPolarHBondContact O-CA 3.22Å; L323-V332 HydrophobicContact CD2-CB 4.35Å; L323-V332 HydrophobicContact CD2-CG1 4.24Å; L323-V332 HydrophobicContact CD2-CG2 3.6Å; V332-I340 HydrophobicContact CG1-CD1 3.78Å; V332-I342 HydrophobicContact CB-CD1 3.86Å; V332-I342 HydrophobicContact CG1-CD1 3.78Å; V332-I342 HydrophobicContact CG2-CD1 4.03Å; V332-S365 VanDerWaalsContact O-CA 3.22Å; V332-S365 WeakPolarHBondContact O-CA 3.38Å; V332-I366 HydrophobicContact CB-CG2 4.26Å; V332-I366 PolarHBondContact N-O 2.88Å; V332-I366 PolarHBondContact O-N 2.97Å; V332-A368 HydrophobicContact CB-CB 4.42Å; V332-A368 HydrophobicContact CG2-CB 3.46Å; V332-A368 VanDerWaalsContact CG2-CB 3.46Å; V332-I397 HydrophobicContact CG1-CD1 4.29Å; V332-I397 HydrophobicContact CG2-CD1 4.04Å |
| 333 | Y | 97.7 | Very high | 95.8 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 5% | 0.051 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 121.9 | 173.7 | 171.5 | -129.6 | 0 | 0 | 0 | 110.5 | R164 L177 S199 I321 Q322 R335 S365 | R164-Y333 PolarHBondContact NH2-OH 2.9Å; L177-Y333 HydrophobicContact CD1-CD1 3.75Å; L177-Y333 HydrophobicContact CD1-CE1 3.4Å; L177-Y333 VanDerWaalsContact CD1-CE1 3.4Å; L177-Y333 HydrophobicContact CD1-CE2 4.21Å; L177-Y333 HydrophobicContact CD1-CG 4.3Å; L177-Y333 HydrophobicContact CD2-CD1 3.8Å; L177-Y333 HydrophobicContact CD2-CD2 4.09Å; L177-Y333 HydrophobicContact CD2-CE1 4.31Å; L177-Y333 HydrophobicContact CD2-CG 3.69Å; L177-Y333 HydrophobicContact CG-CD1 4.44Å; S199-Y333 VanDerWaalsContact CB-CD2 3.49Å; I321-Y333 CarbonylContact C-O 3.46Å; I321-Y333 VanDerWaalsContact CA-O 3.29Å; I321-Y333 WeakPolarHBondContact CA-O 3.43Å; Q322-Y333 HydrophobicContact CB-CD1 4.32Å; Q322-Y333 PolarHBondContact N-O 3.36Å; Q322-Y333 PolarHBondContact O-N 3.03Å; Y333-R335 HydrophobicContact CD1-CG 3.51Å; Y333-R335 HydrophobicContact CE1-CG 3.37Å; Y333-R335 HydrophobicContact CG-CG 4.44Å; Y333-R335 PolarHBondContact O-N 2.94Å; Y333-S365 WeakPolarHBondContact CB-OG 3.2Å; Y333-S365 WeakPolarHBondContact CD2-OG 3.38Å |
| 334 | N | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 108.4 | 178.4 | -174.1 | 2.6 | 0 | 0 | 0 | 111.2 | S336 Y338 I340 V360 F361 G363 F364 | N334-S336 WeakPolarHBondContact OD1-CB 3.47Å; N334-S336 PolarHBondContact OD1-N 3.13Å; N334-S336 PolarHBondContact OD1-OG 3.24Å; N334-Y338 PolarHBondContact ND2-O 3.26Å; N334-I340 HydrophobicContact CB-CD1 3.94Å; N334-I340 HydrophobicContact CB-CG1 4.27Å; N334-V360 HydrophobicContact CB-CG1 4.17Å; N334-V360 PolarHBondContact ND2-O 3.46Å; N334-F361 PolarHBondContact ND2-O 3.48Å; N334-G363 PolarHBondContact O-N 2.9Å; N334-F364 PolarHBondContact N-O 3Å |
| 335 | R | 94.9 | Very high | 95.1 | Very high | 26 Ų | 26 | 35.2 Ų | 35.2 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | trans | -94.9 | -11.1 | 176.5 | -67.7 | 175.4 | 55 | -168.1 | -11.7 | 113.1 | G120 D285 C319 G320 Y333 | G120-R335 PolarHBondContact O-NH2 3.37Å; D285-R335 IonicContact OD1-NH1 3.17Å; D285-R335 PolarHBondContact OD1-NH1 2.89Å; D285-R335 IonicContact OD2-NH1 2.79Å; D285-R335 PolarHBondContact OD2-NH1 2.83Å; C319-R335 HydrophobicContact CB-CB 4Å; C319-R335 WeakPolarHBondContact CB-O 3.34Å; G320-R335 CarbonylContact O-C 3.52Å; G320-R335 WeakPolarHBondContact O-CA 3.18Å; G320-R335 WeakPolarHBondContact O-CB 3.32Å; G320-R335 PolarHBondContact O-N 3.39Å; Y333-R335 HydrophobicContact CD1-CG 3.51Å; Y333-R335 HydrophobicContact CE1-CG 3.37Å; Y333-R335 HydrophobicContact CG-CG 4.44Å; Y333-R335 PolarHBondContact O-N 2.94Å | ||
| 336 | S | 94.8 | Very high | 94.8 | Very high | 6 Ų | 6 | 30.4 Ų | 30.4 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -74.4 | 164.8 | -178.2 | 78.8 | 0 | 0 | 0 | 0 | 111.3 | I317 G320 N334 Y338 P362 | I317-S336 WeakPolarHBondContact O-CB 3.41Å; G320-S336 PolarHBondContact O-N 3.27Å; N334-S336 WeakPolarHBondContact OD1-CB 3.47Å; N334-S336 PolarHBondContact OD1-N 3.13Å; N334-S336 PolarHBondContact OD1-OG 3.24Å; S336-Y338 PolarHBondContact O-N 2.93Å; S336-Y338 PolarHBondContact OG-N 3.2Å; S336-Y338 PolarHBondContact OG-O 2.89Å; S336-P362 WeakPolarHBondContact O-CB 3.48Å; S336-P362 WeakPolarHBondContact O-CG 3.45Å |
| 337 | S | 94.6 | Very high | 94.6 | Very high | 105 Ų | 105 | 29.9 Ų | 29.9 | 73% | 0.734 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -82.1 | 2.3 | 173.8 | -50.5 | 0 | 0 | 0 | 0 | 113.3 | P362 | S337-P362 VanDerWaalsContact C-CG 3.45Š|
| 338 | Y | 97 | Very high | 94.1 | Very high | 85 Ų | 85 | 23.1 Ų | 23.1 | 33% | 0.333 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -126.4 | 157.7 | -176.6 | -66.5 | -84.5 | 0 | 0 | 0 | 111.3 | K316 N334 S336 V400 | K316-Y338 HydrophobicContact CB-CD2 3.79Å; K316-Y338 HydrophobicContact CB-CE2 3.66Å; K316-Y338 HydrophobicContact CD-CD2 4.41Å; K316-Y338 HydrophobicContact CD-CE1 3.99Å; K316-Y338 HydrophobicContact CD-CE2 3.9Å; K316-Y338 WeakPolarHBondContact CE-OH 3.41Å; K316-Y338 HydrophobicContact CG-CD2 4.23Å; K316-Y338 HydrophobicContact CG-CE2 3.61Å; K316-Y338 PolarHBondContact NZ-OH 3.04Å; K316-Y338 VanDerWaalsContact O-CD2 3.28Å; K316-Y338 WeakPolarHBondContact O-CD2 3.37Å; N334-Y338 PolarHBondContact ND2-O 3.26Å; S336-Y338 PolarHBondContact O-N 2.93Å; S336-Y338 PolarHBondContact OG-N 3.2Å; S336-Y338 PolarHBondContact OG-O 2.89Å; Y338-V400 HydrophobicContact CD1-CG1 4.45Å; Y338-V400 HydrophobicContact CG-CG2 4.23Å |
| 339 | P | 97.7 | Very high | 93.1 | Very high | 29 Ų | 29 | 24.5 Ų | 24.5 | 19% | 0.188 | 13% | 0.13 | C | C | . | . | trans | -63.7 | 146.6 | 172.4 | -21.4 | 33.5 | 0 | 0 | 0 | 111.9 | F341 K359 V360 F361 V400 | P339-F341 HydrophobicContact CB-CE2 4.2Å; P339-F341 HydrophobicContact CB-CZ 4.24Å; P339-K359 HydrophobicContact CB-CD 4.42Å; P339-K359 HydrophobicContact CB-CG 3.96Å; P339-V360 WeakPolarHBondContact CA-O 3.41Å; P339-F361 HydrophobicContact CG-CD1 4.11Å; P339-F361 HydrophobicContact CG-CE1 4.34Å; P339-V400 WeakPolarHBondContact O-CA 3.49Å; P339-V400 PolarHBondContact O-N 3.3Å | ||
| 340 | I | 98.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 161 | 163.6 | 65.5 | 180 | 0 | 0 | 0 | 108.9 | I321 V332 N334 I342 V360 I397 S398 F399 | I321-I340 HydrophobicContact CG2-CD1 3.56Å; I321-I340 HydrophobicContact CG2-CG2 4.05Å; V332-I340 HydrophobicContact CG1-CD1 3.78Å; N334-I340 HydrophobicContact CB-CD1 3.94Å; N334-I340 HydrophobicContact CB-CG1 4.27Å; I340-I342 HydrophobicContact CD1-CD1 3.89Å; I340-I342 HydrophobicContact CD1-CG1 4.34Å; I340-I342 HydrophobicContact CG1-CD1 4.37Å; I340-I342 HydrophobicContact CG1-CG1 4.37Å; I340-V360 HydrophobicContact CD1-CB 4.25Å; I340-V360 HydrophobicContact CG1-CB 3.71Å; I340-V360 HydrophobicContact CG1-CG1 4.42Å; I340-V360 HydrophobicContact CG1-CG2 4.38Å; I340-V360 PolarHBondContact N-O 2.78Å; I340-V360 PolarHBondContact O-N 3.32Å; I340-I397 HydrophobicContact CB-CG2 4.31Å; I340-I397 HydrophobicContact CD1-CG2 4.34Å; I340-S398 CarbonylContact C-O 3.43Å; I340-S398 WeakPolarHBondContact CA-O 3.36Å; I340-F399 HydrophobicContact CG2-CD1 3.92Å; I340-F399 HydrophobicContact CG2-CE1 4.44Å |
| 341 | F | 97.7 | Very high | 90.2 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 4% | 0.039 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.6 | -176.8 | -61.5 | -93.7 | 0 | 0 | 0 | 108.2 | P339 V357 H358 K359 I397 S398 V400 K401 G402 W403 Y407 | P339-F341 HydrophobicContact CB-CE2 4.2Å; P339-F341 HydrophobicContact CB-CZ 4.24Å; F341-V357 HydrophobicContact CB-CG1 3.77Å; F341-V357 HydrophobicContact CD1-CG1 4.42Å; F341-H358 CarbonylContact C-O 3.6Å; F341-H358 WeakPolarHBondContact CA-O 3.49Å; F341-K359 HydrophobicContact CD1-CB 3.99Å; F341-K359 HydrophobicContact CD1-CG 4.08Å; F341-K359 HydrophobicContact CE1-CB 3.88Å; F341-K359 HydrophobicContact CE1-CD 3.8Å; F341-K359 HydrophobicContact CE1-CG 3.58Å; F341-K359 HydrophobicContact CZ-CD 4.18Å; F341-K359 HydrophobicContact CZ-CG 4.06Å; F341-I397 CarbonylContact O-C 3.6Å; F341-I397 VanDerWaalsContact O-CA 3.3Å; F341-I397 WeakPolarHBondContact O-CA 3.42Å; F341-S398 PolarHBondContact N-O 2.93Å; F341-S398 PolarHBondContact O-N 3.33Å; F341-V400 WeakPolarHBondContact CE2-O 3.42Å; F341-K401 WeakPolarHBondContact CD2-O 3.42Å; F341-K401 VanDerWaalsContact CE2-C 3.45Å; F341-G402 VanDerWaalsContact CD1-CA 3.43Å; F341-G402 VanDerWaalsContact CE2-N 3.29Å; F341-W403 HydrophobicContact CB-CE3 4Å; F341-W403 HydrophobicContact CB-CH2 4.48Å; F341-W403 HydrophobicContact CB-CZ3 3.54Å; F341-W403 WeakPolarHBondContact O-CH2 3.32Å; F341-W403 VanDerWaalsContact O-CZ3 3.26Å; F341-W403 WeakPolarHBondContact O-CZ3 3.26Å; F341-Y407 HydrophobicContact CD1-CE1 4.18Å; F341-Y407 HydrophobicContact CD1-CE2 4.49Å; F341-Y407 AromaticContact CD1-CZ 3.82Å; F341-Y407 AromaticContact CE1-CE1 3.58Å; F341-Y407 HydrophobicContact CE1-CE1 3.58Å; F341-Y407 AromaticContact CE1-CZ 3.58Å; F341-Y407 VanDerWaalsContact CE1-OH 3.24Å; F341-Y407 WeakPolarHBondContact CE1-OH 3.26Å; F341-Y407 HydrophobicContact CZ-CE1 4.33Å |
| 342 | I | 96.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.1 | -169.7 | -57.9 | -170.4 | 0 | 0 | 0 | 109.9 | V332 I340 L347 V357 H358 V360 I366 A368 V395 Q396 I397 | V332-I342 HydrophobicContact CB-CD1 3.86Å; V332-I342 HydrophobicContact CG1-CD1 3.78Å; V332-I342 HydrophobicContact CG2-CD1 4.03Å; I340-I342 HydrophobicContact CD1-CD1 3.89Å; I340-I342 HydrophobicContact CD1-CG1 4.34Å; I340-I342 HydrophobicContact CG1-CD1 4.37Å; I340-I342 HydrophobicContact CG1-CG1 4.37Å; I342-L347 HydrophobicContact CG2-CD1 3.94Å; I342-V357 WeakPolarHBondContact O-CA 3.28Å; I342-H358 PolarHBondContact N-O 3.25Å; I342-H358 PolarHBondContact O-N 2.74Å; I342-V360 HydrophobicContact CD1-CG2 4.04Å; I342-V360 HydrophobicContact CG1-CG2 4.29Å; I342-I366 HydrophobicContact CD1-CG2 3.72Å; I342-A368 HydrophobicContact CG2-CB 4.14Å; I342-V395 HydrophobicContact CG2-CG1 3.92Å; I342-Q396 CarbonylContact C-O 3.5Å; I342-Q396 WeakPolarHBondContact CA-O 3.46Å; I342-I397 HydrophobicContact CD1-CD1 4.39Å; I342-I397 HydrophobicContact CD1-CG1 4.32Å; I342-I397 HydrophobicContact CD1-CG2 4.48Å; I342-I397 HydrophobicContact CG1-CB 4.48Å; I342-I397 HydrophobicContact CG1-CG1 4.11Å; I342-I397 HydrophobicContact CG1-CG2 4.08Å; I342-I397 HydrophobicContact CG2-CG1 4.43Å |
| 343 | K | 93.1 | Very high | 87.1 | Confident | 61 Ų | 61 | 48.2 Ų | 48.2 | 27% | 0.265 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.5 | 170.6 | -174.4 | -176.2 | 177.1 | -171.8 | 0 | 109.2 | L355 V357 Q396 W403 | K343-L355 HydrophobicContact CG-CB 4.47Å; K343-V357 HydrophobicContact CB-CG2 4.3Å; K343-V357 HydrophobicContact CD-CG2 4.46Å; K343-Q396 HydrophobicContact CB-CB 4.34Å; K343-Q396 PolarHBondContact N-O 3.2Å; K343-Q396 PolarHBondContact O-N 3.44Å; K343-W403 HydrophobicContact CB-CH2 4.07Å; K343-W403 HydrophobicContact CB-CZ2 3.48Å; K343-W403 VanDerWaalsContact CB-CZ2 3.48Å; K343-W403 HydrophobicContact CD-CZ2 4.23Å; K343-W403 HydrophobicContact CG-CZ2 4.49Å |
| 344 | S | 92.2 | Very high | 85.4 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 140.1 | -180 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | T346 L347 A368 V395 | S344-T346 PolarHBondContact O-N 3.5Å; S344-T346 PolarHBondContact OG-N 2.75Å; S344-T346 PolarHBondContact OG-OG1 2.93Å; S344-T346 VanDerWaalsContact OG-OG1 3.06Å; S344-L347 PolarHBondContact O-N 2.84Å; S344-A368 WeakPolarHBondContact CB-O 3.42Å; S344-A368 PolarHBondContact OG-O 3.3Å; S344-V395 WeakPolarHBondContact OG-CG2 3.47Å |
| 345 | A | 87.7 | Confident | 84.1 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 17% | 0.174 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -26.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L377 | A345-L377 HydrophobicContact CB-CD1 4.06Š|
| 346 | T | 89.3 | Confident | 83.6 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -10.4 | -175.1 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | S344 A368 F369 D370 K373 A374 | S344-T346 PolarHBondContact O-N 3.5Å; S344-T346 PolarHBondContact OG-N 2.75Å; S344-T346 PolarHBondContact OG-OG1 2.93Å; S344-T346 VanDerWaalsContact OG-OG1 3.06Å; T346-A368 PolarHBondContact OG1-O 2.94Å; T346-F369 HydrophobicContact CG2-CD2 3.96Å; T346-F369 HydrophobicContact CG2-CE2 4Å; T346-F369 WeakPolarHBondContact OG1-CA 3.33Å; T346-D370 WeakPolarHBondContact CG2-O 3.48Å; T346-D370 PolarHBondContact OG1-N 3.39Å; T346-K373 HydrophobicContact CG2-CB 4.11Å; T346-K373 WeakPolarHBondContact O-CD 3.36Å; T346-K373 PolarHBondContact O-NZ 3.48Å; T346-A374 HydrophobicContact CG2-CB 3.8Å |
| 347 | L | 88.1 | Confident | 83.5 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 7% | 0.068 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -28.2 | 177.4 | -74.8 | 176 | 0 | 0 | 0 | 112.6 | L204 I342 S344 I366 K367 | L204-L347 HydrophobicContact CD2-CD2 4.32Å; I342-L347 HydrophobicContact CG2-CD1 3.94Å; S344-L347 PolarHBondContact O-N 2.84Å; L347-I366 HydrophobicContact CD1-CD1 4.02Å; L347-I366 HydrophobicContact CD2-CD1 3.74Å; L347-I366 HydrophobicContact CD2-CG1 3.89Å; L347-K367 WeakPolarHBondContact CD2-O 3.45Å |
| 348 | D | 80.6 | Confident | 83.4 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 6% | 0.064 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -91.2 | 158.9 | -174.9 | -59.8 | -46.9 | 0 | 0 | 0 | 111.2 | L355 L356 H358 | D348-L355 HydrophobicContact CB-CD2 4.35Å; D348-L355 WeakPolarHBondContact OD2-CA 3.45Å; D348-L355 VanDerWaalsContact OD2-CD2 3.31Å; D348-L355 WeakPolarHBondContact OD2-CD2 3.49Å; D348-L356 WeakPolarHBondContact OD1-CB 3.38Å; D348-L356 PolarHBondContact OD1-N 2.85Å; D348-L356 PolarHBondContact OD2-N 3.18Å; D348-H358 IonicContact OD1-CE1 3.91Å; D348-H358 IonicContact OD1-NE2 3.04Å; D348-H358 PolarHBondContact OD1-NE2 2.87Å |
| 349 | N | 71.1 | Confident | 83.3 | Confident | 91 Ų | 91 | 53.7 Ų | 53.7 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | trans | -65.2 | 131.3 | 171.8 | -178.4 | -20.7 | 0 | 0 | 0 | 108.4 | D351 S352 | N349-D351 PolarHBondContact O-N 2.92Å; N349-D351 VanDerWaalsContact O-N 3.09Å; N349-D351 WeakPolarHBondContact OD1-CB 3.41Å; N349-D351 PolarHBondContact OD1-N 3.43Å; N349-S352 WeakPolarHBondContact O-CA 3.06Å; N349-S352 WeakPolarHBondContact O-CB 3.42Å; N349-S352 PolarHBondContact O-N 3.24Å | ||
| 350 | P | 66.6 | Low | 83.3 | Confident | 100 Ų | 100 | 52.3 Ų | 52.3 | 65% | 0.649 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -27.2 | 175 | 22 | -35.2 | 0 | 0 | 0 | 113.9 | S352 L377 | P350-S352 VanDerWaalsContact C-N 3.32Å; P350-L377 HydrophobicContact CB-CD2 4.34Å |
| 351 | D | 63.7 | Low | 83.2 | Confident | 139 Ų | 139 | 57 Ų | 57 | 74% | 0.743 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -12.6 | 177.1 | -59 | -37.6 | 0 | 0 | 0 | 113.2 | N349 | N349-D351 PolarHBondContact O-N 2.92Å; N349-D351 VanDerWaalsContact O-N 3.09Å; N349-D351 WeakPolarHBondContact OD1-CB 3.41Å; N349-D351 PolarHBondContact OD1-N 3.43Å |
| 352 | S | 67.2 | Low | 83.1 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | trans | -76.1 | 124.5 | 177 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | N349 P350 T354 | N349-S352 WeakPolarHBondContact O-CA 3.06Å; N349-S352 WeakPolarHBondContact O-CB 3.42Å; N349-S352 PolarHBondContact O-N 3.24Å; P350-S352 VanDerWaalsContact C-N 3.32Å; S352-T354 PolarHBondContact O-N 3.1Å; S352-T354 PolarHBondContact OG-N 2.89Å; S352-T354 PolarHBondContact OG-O 2.65Å; S352-T354 PolarHBondContact OG-OG1 2.83Å | ||
| 353 | R | 61.9 | Low | 83.1 | Confident | 251 Ų | 251 | 59 Ų | 59 | 95% | 0.947 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -78.7 | -4.8 | 173.3 | -62.8 | -173.4 | -177.2 | -179.4 | 0.3 | 113.3 | ||
| 354 | T | 63.7 | Low | 83.3 | Confident | 56 Ų | 56 | 57.9 Ų | 57.9 | 34% | 0.344 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -118.4 | 118.3 | -178.1 | 52 | 0 | 0 | 0 | 0 | 110.3 | S352 L356 | S352-T354 PolarHBondContact O-N 3.1Å; S352-T354 PolarHBondContact OG-N 2.89Å; S352-T354 PolarHBondContact OG-O 2.65Å; S352-T354 PolarHBondContact OG-OG1 2.83Å; T354-L356 PolarHBondContact O-N 2.98Å |
| 355 | L | 69.2 | Low | 83.6 | Confident | 88 Ų | 88 | 57.9 Ų | 57.9 | 46% | 0.461 | 30% | 0.298 | S | S | . | . | trans | -74.3 | 117.9 | 168.8 | -67.1 | 176.1 | 0 | 0 | 0 | 109.5 | K343 D348 | K343-L355 HydrophobicContact CG-CB 4.47Å; D348-L355 HydrophobicContact CB-CD2 4.35Å; D348-L355 WeakPolarHBondContact OD2-CA 3.45Å; D348-L355 VanDerWaalsContact OD2-CD2 3.31Å; D348-L355 WeakPolarHBondContact OD2-CD2 3.49Å | ||
| 356 | L | 85.4 | Confident | 84 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 35% | 0.351 | 29% | 0.291 | S | S | . | . | trans | -89.7 | 155 | -175.4 | -60.2 | 177.3 | 0 | 0 | 0 | 111.3 | D348 T354 | D348-L356 WeakPolarHBondContact OD1-CB 3.38Å; D348-L356 PolarHBondContact OD1-N 2.85Å; D348-L356 PolarHBondContact OD2-N 3.18Å; T354-L356 PolarHBondContact O-N 2.98Å | ||
| 357 | V | 91.3 | Very high | 84.3 | Confident | 26 Ų | 26 | 59.2 Ų | 59.2 | 16% | 0.158 | 30% | 0.299 | C | S | . | . | trans | -104.9 | 109.8 | 172.9 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | F341 I342 K343 W403 | F341-V357 HydrophobicContact CB-CG1 3.77Å; F341-V357 HydrophobicContact CD1-CG1 4.42Å; I342-V357 WeakPolarHBondContact O-CA 3.28Å; K343-V357 HydrophobicContact CB-CG2 4.3Å; K343-V357 HydrophobicContact CD-CG2 4.46Å; V357-W403 WeakPolarHBondContact CB-O 3.3Å; V357-W403 HydrophobicContact CG1-CD2 4.1Å; V357-W403 HydrophobicContact CG1-CE3 3.91Å; V357-W403 HydrophobicContact CG1-CH2 4Å; V357-W403 HydrophobicContact CG1-CZ2 4.19Å; V357-W403 HydrophobicContact CG1-CZ3 3.86Å; V357-W403 HydrophobicContact CG2-CD2 4.08Å; V357-W403 HydrophobicContact CG2-CG 4.41Å; V357-W403 HydrophobicContact CG2-CZ2 3.94Å; V357-W403 VanDerWaalsContact CG2-O 3.22Å; V357-W403 WeakPolarHBondContact CG2-O 3.35Å | ||
| 358 | H | 92.9 | Very high | 84.7 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 12% | 0.12 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 126.1 | -175.6 | -65 | -85.7 | 0 | 0 | 0 | 110.3 | L204 F341 I342 D348 I366 | L204-H358 WeakPolarHBondContact CD2-CE1 3.49Å; L204-H358 WeakPolarHBondContact CD2-ND1 3.44Å; F341-H358 CarbonylContact C-O 3.6Å; F341-H358 WeakPolarHBondContact CA-O 3.49Å; I342-H358 PolarHBondContact N-O 3.25Å; I342-H358 PolarHBondContact O-N 2.74Å; D348-H358 IonicContact OD1-CE1 3.91Å; D348-H358 IonicContact OD1-NE2 3.04Å; D348-H358 PolarHBondContact OD1-NE2 2.87Å; H358-I366 HydrophobicContact CB-CD1 4.04Å |
| 359 | K | 95.6 | Very high | 85.4 | Confident | 88 Ų | 88 | 58 Ų | 58 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 120.3 | 178.2 | -177.9 | -178.9 | -178.8 | -176.2 | 0 | 110 | P339 F341 F361 | P339-K359 HydrophobicContact CB-CD 4.42Å; P339-K359 HydrophobicContact CB-CG 3.96Å; F341-K359 HydrophobicContact CD1-CB 3.99Å; F341-K359 HydrophobicContact CD1-CG 4.08Å; F341-K359 HydrophobicContact CE1-CB 3.88Å; F341-K359 HydrophobicContact CE1-CD 3.8Å; F341-K359 HydrophobicContact CE1-CG 3.58Å; F341-K359 HydrophobicContact CZ-CD 4.18Å; F341-K359 HydrophobicContact CZ-CG 4.06Å; K359-F361 HydrophobicContact CD-CE1 4.4Å; K359-F361 HydrophobicContact CD-CE2 4.42Å; K359-F361 HydrophobicContact CD-CZ 4.02Å |
| 360 | V | 97.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 115.8 | -179.2 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | N334 P339 I340 I342 F364 I366 | N334-V360 HydrophobicContact CB-CG1 4.17Å; N334-V360 PolarHBondContact ND2-O 3.46Å; P339-V360 WeakPolarHBondContact CA-O 3.41Å; I340-V360 HydrophobicContact CD1-CB 4.25Å; I340-V360 HydrophobicContact CG1-CB 3.71Å; I340-V360 HydrophobicContact CG1-CG1 4.42Å; I340-V360 HydrophobicContact CG1-CG2 4.38Å; I340-V360 PolarHBondContact N-O 2.78Å; I340-V360 PolarHBondContact O-N 3.32Å; I342-V360 HydrophobicContact CD1-CG2 4.04Å; I342-V360 HydrophobicContact CG1-CG2 4.29Å; V360-F364 HydrophobicContact CG1-CB 3.82Å; V360-I366 HydrophobicContact CG2-CB 4.17Å; V360-I366 HydrophobicContact CG2-CD1 4.35Å; V360-I366 HydrophobicContact CG2-CG2 3.7Å |
| 361 | F | 96.8 | Very high | 87.5 | Confident | 97 Ų | 97 | 52.9 Ų | 52.9 | 43% | 0.425 | 26% | 0.256 | S | S | . | . | trans | -75.3 | 159.4 | -178.7 | -70.6 | -82.5 | 0 | 0 | 0 | 113 | N334 P339 K359 G363 F364 | N334-F361 PolarHBondContact ND2-O 3.48Å; P339-F361 HydrophobicContact CG-CD1 4.11Å; P339-F361 HydrophobicContact CG-CE1 4.34Å; K359-F361 HydrophobicContact CD-CE1 4.4Å; K359-F361 HydrophobicContact CD-CE2 4.42Å; K359-F361 HydrophobicContact CD-CZ 4.02Å; F361-G363 PolarHBondContact O-N 3.47Å; F361-F364 HydrophobicContact CB-CD2 3.65Å; F361-F364 HydrophobicContact CB-CE2 3.9Å; F361-F364 HydrophobicContact CB-CG 4.34Å; F361-F364 WeakPolarHBondContact O-CB 3.24Å; F361-F364 PolarHBondContact O-N 3.45Å | ||
| 362 | P | 96.2 | Very high | 88.7 | Confident | 47 Ų | 47 | 53 Ų | 53 | 31% | 0.305 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 129.8 | 170.8 | -32.9 | 40 | 0 | 0 | 0 | 113.2 | S336 S337 F364 | S336-P362 WeakPolarHBondContact O-CB 3.48Å; S336-P362 WeakPolarHBondContact O-CG 3.45Å; S337-P362 VanDerWaalsContact C-CG 3.45Å; P362-F364 VanDerWaalsContact C-N 3.29Å; P362-F364 WeakPolarHBondContact O-CD2 3.14Å; P362-F364 PolarHBondContact O-N 3.17Å |
| 363 | G | 95.7 | Very high | 89.7 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 6% | 0.062 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -1.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | W165 R200 N334 F361 | W165-G363 VanDerWaalsContact CZ2-O 3.25Å; W165-G363 WeakPolarHBondContact CZ2-O 3.3Å; R200-G363 PolarHBondContact N-O 3.49Å; N334-G363 PolarHBondContact O-N 2.9Å; F361-G363 PolarHBondContact O-N 3.47Å |
| 364 | F | 97.4 | Very high | 90.9 | Very high | 36 Ų | 36 | 43.3 Ų | 43.3 | 16% | 0.158 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 153 | 175.7 | -71.1 | -113.5 | 0 | 0 | 0 | 111.8 | R200 N334 V360 F361 P362 | R200-F364 HydrophobicContact CB-CD1 3.84Å; R200-F364 HydrophobicContact CB-CD2 4.36Å; R200-F364 HydrophobicContact CB-CE1 3.92Å; R200-F364 HydrophobicContact CB-CE2 4.41Å; R200-F364 HydrophobicContact CB-CG 4.09Å; R200-F364 HydrophobicContact CB-CZ 4.22Å; R200-F364 HydrophobicContact CG-CD1 3.97Å; R200-F364 HydrophobicContact CG-CE1 3.63Å; R200-F364 HydrophobicContact CG-CZ 4.05Å; R200-F364 CarbonylContact O-C 3.48Å; R200-F364 WeakPolarHBondContact O-CA 3.44Å; N334-F364 PolarHBondContact N-O 3Å; V360-F364 HydrophobicContact CG1-CB 3.82Å; F361-F364 HydrophobicContact CB-CD2 3.65Å; F361-F364 HydrophobicContact CB-CE2 3.9Å; F361-F364 HydrophobicContact CB-CG 4.34Å; F361-F364 WeakPolarHBondContact O-CB 3.24Å; F361-F364 PolarHBondContact O-N 3.45Å; P362-F364 VanDerWaalsContact C-N 3.29Å; P362-F364 WeakPolarHBondContact O-CD2 3.14Å; P362-F364 PolarHBondContact O-N 3.17Å |
| 365 | S | 97.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 143.3 | 173.1 | -69.1 | 0 | 0 | 0 | 0 | 110.6 | S199 R200 C202 V332 Y333 | S199-S365 WeakPolarHBondContact CB-OG 3.47Å; S199-S365 WeakPolarHBondContact OG-CB 3.41Å; S199-S365 PolarHBondContact OG-OG 3.16Å; R200-S365 PolarHBondContact O-N 3.49Å; C202-S365 WeakPolarHBondContact CB-O 3.39Å; C202-S365 PolarHBondContact N-O 2.73Å; V332-S365 VanDerWaalsContact O-CA 3.22Å; V332-S365 WeakPolarHBondContact O-CA 3.38Å; Y333-S365 WeakPolarHBondContact CB-OG 3.2Å; Y333-S365 WeakPolarHBondContact CD2-OG 3.38Å |
| 366 | I | 96.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 143.8 | 172.7 | -168.8 | 172.6 | 0 | 0 | 0 | 109.6 | C202 L204 W331 V332 I342 L347 H358 V360 A368 | C202-I366 HydrophobicContact CB-CB 3.93Å; C202-I366 HydrophobicContact CB-CD1 4.39Å; C202-I366 HydrophobicContact CB-CG1 4.21Å; L204-I366 HydrophobicContact CD2-CD1 4.21Å; W331-I366 WeakPolarHBondContact CA-O 3.47Å; V332-I366 HydrophobicContact CB-CG2 4.26Å; V332-I366 PolarHBondContact N-O 2.88Å; V332-I366 PolarHBondContact O-N 2.97Å; I342-I366 HydrophobicContact CD1-CG2 3.72Å; L347-I366 HydrophobicContact CD1-CD1 4.02Å; L347-I366 HydrophobicContact CD2-CD1 3.74Å; L347-I366 HydrophobicContact CD2-CG1 3.89Å; H358-I366 HydrophobicContact CB-CD1 4.04Å; V360-I366 HydrophobicContact CG2-CB 4.17Å; V360-I366 HydrophobicContact CG2-CD1 4.35Å; V360-I366 HydrophobicContact CG2-CG2 3.7Å; I366-A368 VanDerWaalsContact C-N 3.3Å; I366-A368 HydrophobicContact CG2-CB 4.43Å; I366-A368 PolarHBondContact O-N 3.33Å |
| 367 | K | 96.2 | Very high | 92.2 | Very high | 48 Ų | 48 | 45.2 Ų | 45.2 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 82.9 | 170.9 | -170.6 | -176.3 | -175.5 | -176 | 0 | 108.6 | D328 V330 W331 L347 F369 D370 | D328-K367 WeakPolarHBondContact O-CE 3.48Å; D328-K367 PolarHBondContact O-NZ 2.91Å; D328-K367 WeakPolarHBondContact OD2-CE 3.43Å; D328-K367 IonicContact OD2-NZ 3.38Å; D328-K367 PolarHBondContact OD2-NZ 3.01Å; V330-K367 CarbonylContact O-C 3.55Å; W331-K367 HydrophobicContact CD2-CB 3.9Å; W331-K367 HydrophobicContact CD2-CG 4.31Å; W331-K367 HydrophobicContact CE3-CB 4.04Å; W331-K367 VanDerWaalsContact CE3-N 3.34Å; W331-K367 HydrophobicContact CH2-CB 3.88Å; W331-K367 HydrophobicContact CZ2-CB 3.74Å; W331-K367 HydrophobicContact CZ2-CD 4.19Å; W331-K367 HydrophobicContact CZ2-CG 4.1Å; W331-K367 HydrophobicContact CZ3-CB 4.02Å; L347-K367 WeakPolarHBondContact CD2-O 3.45Å; K367-F369 PolarHBondContact O-N 2.68Å; K367-D370 WeakPolarHBondContact CE-OD2 3.28Å; K367-D370 IonicContact NZ-OD2 2.65Å; K367-D370 PolarHBondContact NZ-OD2 3.19Å |
| 368 | A | 95.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | -20.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V330 V332 I342 S344 T346 I366 V395 | V330-A368 PolarHBondContact O-N 3.39Å; V332-A368 HydrophobicContact CB-CB 4.42Å; V332-A368 HydrophobicContact CG2-CB 3.46Å; V332-A368 VanDerWaalsContact CG2-CB 3.46Å; I342-A368 HydrophobicContact CG2-CB 4.14Å; S344-A368 WeakPolarHBondContact CB-O 3.42Å; S344-A368 PolarHBondContact OG-O 3.3Å; T346-A368 PolarHBondContact OG1-O 2.94Å; I366-A368 VanDerWaalsContact C-N 3.3Å; I366-A368 HydrophobicContact CG2-CB 4.43Å; I366-A368 PolarHBondContact O-N 3.33Å; A368-V395 HydrophobicContact CB-CG1 4.11Å; A368-V395 HydrophobicContact CB-CG2 4.29Å; A368-V395 VanDerWaalsContact O-CG2 3.32Å; A368-V395 WeakPolarHBondContact O-CG2 3.36Å |
| 369 | F | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 134.5 | 176.5 | -168.3 | -106.6 | 0 | 0 | 0 | 111.2 | G329 V330 T346 K367 Y371 A374 G392 F393 V395 F423 | G329-F369 CarbonylContact C-O 3.55Å; G329-F369 WeakPolarHBondContact CA-O 3.36Å; V330-F369 HydrophobicContact CB-CB 3.81Å; V330-F369 HydrophobicContact CG2-CB 4.07Å; V330-F369 HydrophobicContact CG2-CD1 4.14Å; V330-F369 PolarHBondContact N-O 3.18Å; V330-F369 PolarHBondContact O-N 3.38Å; V330-F369 VanDerWaalsContact O-N 3.1Å; T346-F369 HydrophobicContact CG2-CD2 3.96Å; T346-F369 HydrophobicContact CG2-CE2 4Å; T346-F369 WeakPolarHBondContact OG1-CA 3.33Å; K367-F369 PolarHBondContact O-N 2.68Å; F369-Y371 HydrophobicContact CD1-CD1 4.04Å; F369-Y371 HydrophobicContact CD1-CE1 4.01Å; F369-Y371 AromaticContact CE1-CD1 3.59Å; F369-Y371 HydrophobicContact CE1-CD1 3.59Å; F369-Y371 AromaticContact CE1-CE1 3.8Å; F369-Y371 HydrophobicContact CE1-CE1 3.8Å; F369-Y371 HydrophobicContact CE1-CG 4.34Å; F369-A374 HydrophobicContact CE1-CB 4.13Å; F369-A374 HydrophobicContact CE2-CB 3.62Å; F369-A374 HydrophobicContact CZ-CB 3.29Å; F369-G392 WeakPolarHBondContact CE2-O 3.41Å; F369-F393 AromaticContact CZ-CD1 3.73Å; F369-F393 HydrophobicContact CZ-CD1 3.73Å; F369-F393 HydrophobicContact CZ-CE1 4.03Å; F369-F393 HydrophobicContact CZ-CG 4.31Å; F369-V395 HydrophobicContact CB-CG2 4.24Å; F369-V395 HydrophobicContact CD2-CG2 4.38Å; F369-F423 HydrophobicContact CB-CD2 4.27Å; F369-F423 HydrophobicContact CB-CE2 3.58Å; F369-F423 HydrophobicContact CB-CZ 3.87Å; F369-F423 AromaticContact CD1-CD2 3.81Å; F369-F423 HydrophobicContact CD1-CD2 3.81Å; F369-F423 AromaticContact CD1-CE2 4Å; F369-F423 HydrophobicContact CD1-CE2 4Å; F369-F423 HydrophobicContact CD1-CG 4.21Å; F369-F423 AromaticContact CD2-CD2 3.48Å; F369-F423 HydrophobicContact CD2-CD2 3.48Å; F369-F423 VanDerWaalsContact CD2-CD2 3.48Å; F369-F423 AromaticContact CD2-CE2 3.42Å; F369-F423 HydrophobicContact CD2-CE2 3.42Å; F369-F423 VanDerWaalsContact CD2-CE2 3.42Å; F369-F423 HydrophobicContact CD2-CZ 4.49Å; F369-F423 HydrophobicContact CE1-CB 4.38Å; F369-F423 AromaticContact CE1-CD2 3.92Å; F369-F423 HydrophobicContact CE1-CD2 3.92Å; F369-F423 HydrophobicContact CE1-CG 4.19Å; F369-F423 AromaticContact CE2-CD2 3.61Å; F369-F423 HydrophobicContact CE2-CD2 3.61Å; F369-F423 HydrophobicContact CE2-CE2 4.04Å; F369-F423 AromaticContact CG-CD2 3.58Å; F369-F423 HydrophobicContact CG-CD2 3.58Å; F369-F423 AromaticContact CG-CE2 3.38Å; F369-F423 HydrophobicContact CG-CE2 3.38Å; F369-F423 HydrophobicContact CG-CG 4.39Å; F369-F423 HydrophobicContact CG-CZ 4.08Å; F369-F423 HydrophobicContact CZ-CB 4.42Å; F369-F423 AromaticContact CZ-CD2 3.81Å; F369-F423 HydrophobicContact CZ-CD2 3.81Å; F369-F423 HydrophobicContact CZ-CG 4.37Å |
| 370 | D | 93.1 | Very high | 87.3 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 13% | 0.134 | 28% | 0.281 | C | S | . | . | trans | -121.4 | 118.4 | 175.3 | -173.6 | -55.4 | 0 | 0 | 0 | 109 | T346 K367 E372 K373 A374 | T346-D370 WeakPolarHBondContact CG2-O 3.48Å; T346-D370 PolarHBondContact OG1-N 3.39Å; K367-D370 WeakPolarHBondContact CE-OD2 3.28Å; K367-D370 IonicContact NZ-OD2 2.65Å; K367-D370 PolarHBondContact NZ-OD2 3.19Å; D370-E372 PolarHBondContact OD1-N 2.85Å; D370-K373 HydrophobicContact CB-CB 4.04Å; D370-K373 HydrophobicContact CB-CD 3.99Å; D370-K373 HydrophobicContact CB-CG 4.06Å; D370-K373 PolarHBondContact O-N 2.92Å; D370-K373 PolarHBondContact OD1-N 3.38Å; D370-K373 VanDerWaalsContact OD1-N 3.15Å; D370-A374 WeakPolarHBondContact O-CB 3.32Å; D370-A374 PolarHBondContact O-N 3.15Å | ||
| 371 | Y | 89.8 | Confident | 84.8 | Confident | 57 Ų | 57 | 64 Ų | 64 | 22% | 0.224 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.8 | -49.8 | -174 | -66.8 | -70.3 | 0 | 0 | 0 | 111.5 | R325 V330 F369 K373 A374 Y375 | R325-Y371 WeakPolarHBondContact CD-OH 3.37Å; R325-Y371 WeakPolarHBondContact CG-OH 3.35Å; V330-Y371 WeakPolarHBondContact CG2-OH 3.38Å; F369-Y371 HydrophobicContact CD1-CD1 4.04Å; F369-Y371 HydrophobicContact CD1-CE1 4.01Å; F369-Y371 AromaticContact CE1-CD1 3.59Å; F369-Y371 HydrophobicContact CE1-CD1 3.59Å; F369-Y371 AromaticContact CE1-CE1 3.8Å; F369-Y371 HydrophobicContact CE1-CE1 3.8Å; F369-Y371 HydrophobicContact CE1-CG 4.34Å; Y371-K373 PolarHBondContact O-N 3.39Å; Y371-A374 WeakPolarHBondContact O-CB 3.29Å; Y371-A374 PolarHBondContact O-N 3.35Å; Y371-A374 VanDerWaalsContact O-N 3.16Å; Y371-Y375 WeakPolarHBondContact O-CD2 3.38Å; Y371-Y375 PolarHBondContact O-N 3.03Å; Y371-Y375 VanDerWaalsContact O-N 3.08Å |
| 372 | E | 88.7 | Confident | 82.5 | Confident | 141 Ų | 141 | 63.1 Ų | 63.1 | 66% | 0.659 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | -177.2 | -64 | -59.4 | 145.7 | 0 | 0 | 111.7 | D370 S376 | D370-E372 PolarHBondContact OD1-N 2.85Å; E372-S376 WeakPolarHBondContact O-CB 3.37Å; E372-S376 PolarHBondContact O-N 2.75Å; E372-S376 PolarHBondContact O-OG 3.29Å |
| 373 | K | 88.3 | Confident | 80.3 | Confident | 92 Ų | 92 | 68.4 Ų | 68.4 | 40% | 0.4 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 175.5 | -67.6 | -174.9 | -178.2 | -178.5 | 0 | 111.9 | T346 D370 Y371 S376 L377 | T346-K373 HydrophobicContact CG2-CB 4.11Å; T346-K373 WeakPolarHBondContact O-CD 3.36Å; T346-K373 PolarHBondContact O-NZ 3.48Å; D370-K373 HydrophobicContact CB-CB 4.04Å; D370-K373 HydrophobicContact CB-CD 3.99Å; D370-K373 HydrophobicContact CB-CG 4.06Å; D370-K373 PolarHBondContact O-N 2.92Å; D370-K373 PolarHBondContact OD1-N 3.38Å; D370-K373 VanDerWaalsContact OD1-N 3.15Å; Y371-K373 PolarHBondContact O-N 3.39Å; K373-S376 PolarHBondContact O-N 2.66Å; K373-L377 VanDerWaalsContact O-CG 3.26Å; K373-L377 WeakPolarHBondContact O-CG 3.27Å; K373-L377 PolarHBondContact O-N 3.37Å |
| 374 | A | 87.3 | Confident | 77.7 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.008 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.8 | -43 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | T346 F369 D370 Y371 L377 F393 | T346-A374 HydrophobicContact CG2-CB 3.8Å; F369-A374 HydrophobicContact CE1-CB 4.13Å; F369-A374 HydrophobicContact CE2-CB 3.62Å; F369-A374 HydrophobicContact CZ-CB 3.29Å; D370-A374 WeakPolarHBondContact O-CB 3.32Å; D370-A374 PolarHBondContact O-N 3.15Å; Y371-A374 WeakPolarHBondContact O-CB 3.29Å; Y371-A374 PolarHBondContact O-N 3.35Å; Y371-A374 VanDerWaalsContact O-N 3.16Å; A374-L377 PolarHBondContact O-N 3.03Å; A374-F393 HydrophobicContact CB-CE1 4.25Å; A374-F393 HydrophobicContact CB-CE2 4.3Å; A374-F393 HydrophobicContact CB-CZ 4.01Å |
| 375 | Y | 83.7 | Confident | 74.9 | Confident | 82 Ų | 82 | 82.9 Ų | 82.9 | 32% | 0.322 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.2 | -39.3 | 175.1 | -70.9 | -68.4 | 0 | 0 | 0 | 112.2 | Y371 L377 Q378 F393 | Y371-Y375 WeakPolarHBondContact O-CD2 3.38Å; Y371-Y375 PolarHBondContact O-N 3.03Å; Y371-Y375 VanDerWaalsContact O-N 3.08Å; Y375-L377 PolarHBondContact O-N 3.29Å; Y375-Q378 WeakPolarHBondContact O-CB 3.18Å; Y375-Q378 PolarHBondContact O-N 2.95Å; Y375-F393 HydrophobicContact CD1-CZ 4.01Å; Y375-F393 HydrophobicContact CE1-CE1 4.29Å; Y375-F393 AromaticContact CE1-CZ 3.92Å; Y375-F393 HydrophobicContact CE1-CZ 3.92Å |
| 376 | S | 83 | Confident | 72.3 | Confident | 101 Ų | 101 | 89.8 Ų | 89.8 | 71% | 0.706 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.5 | -25.9 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 113.5 | E372 K373 Q378 | E372-S376 WeakPolarHBondContact O-CB 3.37Å; E372-S376 PolarHBondContact O-N 2.75Å; E372-S376 PolarHBondContact O-OG 3.29Å; K373-S376 PolarHBondContact O-N 2.66Å; S376-Q378 VanDerWaalsContact C-N 3.32Å |
| 377 | L | 77.3 | Confident | 69.5 | Low | 69 Ų | 69 | 99.4 Ų | 99.4 | 36% | 0.361 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.4 | 175.6 | -70.1 | 169.6 | 0 | 0 | 0 | 113.1 | A345 P350 K373 A374 Y375 R379 | A345-L377 HydrophobicContact CB-CD1 4.06Å; P350-L377 HydrophobicContact CB-CD2 4.34Å; K373-L377 VanDerWaalsContact O-CG 3.26Å; K373-L377 WeakPolarHBondContact O-CG 3.27Å; K373-L377 PolarHBondContact O-N 3.37Å; A374-L377 PolarHBondContact O-N 3.03Å; Y375-L377 PolarHBondContact O-N 3.29Å; L377-R379 PolarHBondContact O-N 2.69Å |
| 378 | Q | 68.6 | Low | 66.8 | Low | 85 Ų | 85 | 104.1 Ų | 104.1 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | trans | -70.9 | 112 | 172.8 | -66.9 | -179.3 | -19.6 | 0 | 0 | 109.3 | Y375 S376 F393 | Y375-Q378 WeakPolarHBondContact O-CB 3.18Å; Y375-Q378 PolarHBondContact O-N 2.95Å; S376-Q378 VanDerWaalsContact C-N 3.32Å; Q378-F393 HydrophobicContact CG-CE2 4.1Å | ||
| 379 | R | 59.1 | Low | 64.4 | Low | 184 Ų | 184 | 109.1 Ų | 109.1 | 69% | 0.694 | 54% | 0.536 | S | S | * | . | trans | -85.9 | 137.7 | 173.5 | -61 | -168 | -166.7 | -162.4 | 5.2 | 110.4 | L377 N381 D382 | L377-R379 PolarHBondContact O-N 2.69Å; R379-N381 PolarHBondContact O-N 2.78Å; R379-N381 VanDerWaalsContact O-N 3.1Å; R379-D382 PolarHBondContact O-N 3.02Å | ||
| 380 | P | 49.4 | Very low | 62.5 | Low | 123 Ų | 123 | 116 Ų | 116 | 80% | 0.799 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -21.9 | -177.9 | -26.3 | 33.9 | 0 | 0 | 0 | 116.4 | ||
| 381 | N | 45.8 | Very low | 61.1 | Low | 143 Ų | 143 | 120 Ų | 120 | 77% | 0.765 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 5.8 | -176.1 | -91.3 | 7.5 | 0 | 0 | 0 | 114.7 | R379 H383 | R379-N381 PolarHBondContact O-N 2.78Å; R379-N381 VanDerWaalsContact O-N 3.1Å; N381-H383 PolarHBondContact O-N 3.38Å |
| 382 | D | 47.8 | Very low | 60.4 | Low | 77 Ų | 77 | 118 Ų | 118 | 41% | 0.412 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -75.5 | 0.7 | -179.6 | -77.9 | -18.1 | 0 | 0 | 0 | 113.5 | R379 E384 W390 | R379-D382 PolarHBondContact O-N 3.02Å; D382-E384 PolarHBondContact O-N 2.7Å; D382-W390 HydrophobicContact CB-CZ3 4.41Å |
| 383 | H | 50.5 | Low | 60.4 | Low | 158 Ų | 158 | 111.8 Ų | 111.8 | 73% | 0.731 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -64.7 | -22.8 | 175.5 | -77.5 | -159.8 | 0 | 0 | 0 | 113.4 | N381 | N381-H383 PolarHBondContact O-N 3.38Š|
| 384 | E | 41.2 | Very low | 60.5 | Low | 177 Ų | 177 | 108.3 Ų | 108.3 | 83% | 0.827 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -91.5 | -10.5 | -174.8 | -63.7 | -157 | 127.3 | 0 | 0 | 114.3 | D382 | D382-E384 PolarHBondContact O-N 2.7Š|
| 385 | F | 39 | Very low | 60.9 | Low | 170 Ų | 170 | 108.3 Ų | 108.3 | 75% | 0.746 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -115.5 | 93.6 | 179.3 | -89.4 | -92.6 | 0 | 0 | 0 | 113.1 | ||
| 386 | M | 41.4 | Very low | 61.6 | Low | 147 Ų | 147 | 106.4 Ų | 106.4 | 72% | 0.724 | 54% | 0.536 | S | S | * | . | trans | 84.3 | 136.6 | 139.3 | -58.5 | 178.2 | 68.4 | 0 | 0 | 120.5 | Q388 | M386-Q388 PolarHBondContact O-N 3.33Š| ||
| 387 | Q | 38.3 | Very low | 62.3 | Low | 207 Ų | 207 | 101.6 Ų | 101.6 | 97% | 0.967 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -50.7 | 26.6 | 171.3 | -63.6 | 167.8 | -0.3 | 0 | 0 | 117.4 | ||
| 388 | Q | 39.6 | Very low | 63.3 | Low | 146 Ų | 146 | 98.3 Ų | 98.3 | 68% | 0.682 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -102.5 | 140.3 | 176.4 | -80.5 | -173.5 | -13 | 0 | 0 | 112.1 | M386 W390 | M386-Q388 PolarHBondContact O-N 3.33Å; Q388-W390 PolarHBondContact O-N 3.41Å |
| 389 | P | 45.4 | Very low | 64.8 | Low | 106 Ų | 106 | 94.3 Ų | 94.3 | 69% | 0.688 | 47% | 0.466 | S | S | * | . | trans | -54.5 | 137.3 | 174.1 | -21 | 30.4 | 0 | 0 | 0 | 110.9 | T391 | P389-T391 PolarHBondContact O-N 3.46Š| ||
| 390 | W | 55.2 | Low | 66.6 | Low | 144 Ų | 144 | 86.7 Ų | 86.7 | 55% | 0.545 | 44% | 0.44 | S | S | . | . | trans | -54.7 | 100.6 | 178.8 | -63.2 | 86.4 | 0 | 0 | 0 | 111 | D382 Q388 G392 F393 | D382-W390 HydrophobicContact CB-CZ3 4.41Å; Q388-W390 PolarHBondContact O-N 3.41Å; W390-G392 PolarHBondContact O-N 3.11Å; W390-G392 VanDerWaalsContact O-N 3.11Å; W390-F393 PolarHBondContact O-N 2.88Å; W390-F393 VanDerWaalsContact O-N 3.16Å | ||
| 391 | T | 63.7 | Low | 68.9 | Low | 109 Ų | 109 | 84.6 Ų | 84.6 | 67% | 0.669 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -60.8 | -23.1 | -178.3 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | P389 F393 T394 | P389-T391 PolarHBondContact O-N 3.46Å; T391-F393 VanDerWaalsContact C-N 3.29Å; T391-F393 PolarHBondContact O-N 2.76Å; T391-T394 PolarHBondContact O-N 3.31Å |
| 392 | G | 74.6 | Confident | 71.2 | Confident | 17 Ų | 17 | 78.2 Ų | 78.2 | 18% | 0.175 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -66.1 | -23.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | F369 W390 | F369-G392 WeakPolarHBondContact CE2-O 3.41Å; W390-G392 PolarHBondContact O-N 3.11Å; W390-G392 VanDerWaalsContact O-N 3.11Å |
| 393 | F | 88.8 | Confident | 73.4 | Confident | 10 Ų | 10 | 74.9 Ų | 74.9 | 4% | 0.044 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -107.4 | 20.7 | -179.3 | -75 | -100.8 | 0 | 0 | 0 | 112.6 | F369 A374 Y375 Q378 W390 T391 F423 | F369-F393 AromaticContact CZ-CD1 3.73Å; F369-F393 HydrophobicContact CZ-CD1 3.73Å; F369-F393 HydrophobicContact CZ-CE1 4.03Å; F369-F393 HydrophobicContact CZ-CG 4.31Å; A374-F393 HydrophobicContact CB-CE1 4.25Å; A374-F393 HydrophobicContact CB-CE2 4.3Å; A374-F393 HydrophobicContact CB-CZ 4.01Å; Y375-F393 HydrophobicContact CD1-CZ 4.01Å; Y375-F393 HydrophobicContact CE1-CE1 4.29Å; Y375-F393 AromaticContact CE1-CZ 3.92Å; Y375-F393 HydrophobicContact CE1-CZ 3.92Å; Q378-F393 HydrophobicContact CG-CE2 4.1Å; W390-F393 PolarHBondContact O-N 2.88Å; W390-F393 VanDerWaalsContact O-N 3.16Å; T391-F393 VanDerWaalsContact C-N 3.29Å; T391-F393 PolarHBondContact O-N 2.76Å; F393-F423 HydrophobicContact CD1-CB 4.35Å; F393-F423 VanDerWaalsContact O-CD2 3.25Å; F393-F423 WeakPolarHBondContact O-CD2 3.33Å; F393-F423 PolarHBondContact O-N 3.04Å |
| 394 | T | 91.7 | Very high | 75.3 | Confident | 18 Ų | 18 | 67.9 Ų | 67.9 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.8 | -178.6 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | T391 Q396 E420 V421 I422 | T391-T394 PolarHBondContact O-N 3.31Å; T394-Q396 HydrophobicContact CG2-CG 4.44Å; T394-E420 HydrophobicContact CG2-CG 3.48Å; T394-E420 VanDerWaalsContact CG2-CG 3.48Å; T394-V421 CarbonylContact C-O 3.5Å; T394-V421 VanDerWaalsContact CA-O 3.29Å; T394-V421 WeakPolarHBondContact CA-O 3.36Å; T394-I422 HydrophobicContact CG2-CG1 4.46Å |
| 395 | V | 95.7 | Very high | 77.3 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.2 | 169.5 | 166.5 | 0 | 0 | 0 | 0 | 108.9 | I342 S344 A368 F369 I397 V421 F423 | I342-V395 HydrophobicContact CG2-CG1 3.92Å; S344-V395 WeakPolarHBondContact OG-CG2 3.47Å; A368-V395 HydrophobicContact CB-CG1 4.11Å; A368-V395 HydrophobicContact CB-CG2 4.29Å; A368-V395 VanDerWaalsContact O-CG2 3.32Å; A368-V395 WeakPolarHBondContact O-CG2 3.36Å; F369-V395 HydrophobicContact CB-CG2 4.24Å; F369-V395 HydrophobicContact CD2-CG2 4.38Å; V395-I397 HydrophobicContact CG1-CD1 3.99Å; V395-I397 HydrophobicContact CG1-CG1 3.72Å; V395-V421 HydrophobicContact CB-CB 4.31Å; V395-V421 PolarHBondContact N-O 2.81Å; V395-V421 PolarHBondContact O-N 3.27Å; V395-F423 HydrophobicContact CB-CE2 4.06Å; V395-F423 HydrophobicContact CB-CZ 4.23Å; V395-F423 HydrophobicContact CG2-CE2 3.52Å; V395-F423 HydrophobicContact CG2-CZ 3.93Å |
| 396 | Q | 97.4 | Very high | 79.6 | Confident | 42 Ų | 42 | 64 Ų | 64 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 126.2 | 179.7 | -81.4 | -175.8 | -15.1 | 0 | 0 | 109.8 | I342 K343 T394 W403 I412 W418 | I342-Q396 CarbonylContact C-O 3.5Å; I342-Q396 WeakPolarHBondContact CA-O 3.46Å; K343-Q396 HydrophobicContact CB-CB 4.34Å; K343-Q396 PolarHBondContact N-O 3.2Å; K343-Q396 PolarHBondContact O-N 3.44Å; T394-Q396 HydrophobicContact CG2-CG 4.44Å; Q396-W403 HydrophobicContact CB-CH2 4.48Å; Q396-W403 HydrophobicContact CB-CZ2 4.28Å; Q396-I412 HydrophobicContact CB-CD1 3.54Å; Q396-I412 HydrophobicContact CG-CD1 3.98Å; Q396-W418 HydrophobicContact CG-CZ3 4.49Å |
| 397 | I | 98.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 119.7 | -174.2 | -51.5 | 177.2 | 0 | 0 | 0 | 110 | I321 L323 V332 I340 F341 I342 V395 W418 L419 V421 | I321-I397 HydrophobicContact CD1-CD1 3.83Å; I321-I397 HydrophobicContact CD1-CG2 4.4Å; L323-I397 HydrophobicContact CD2-CD1 4.2Å; V332-I397 HydrophobicContact CG1-CD1 4.29Å; V332-I397 HydrophobicContact CG2-CD1 4.04Å; I340-I397 HydrophobicContact CB-CG2 4.31Å; I340-I397 HydrophobicContact CD1-CG2 4.34Å; F341-I397 CarbonylContact O-C 3.6Å; F341-I397 VanDerWaalsContact O-CA 3.3Å; F341-I397 WeakPolarHBondContact O-CA 3.42Å; I342-I397 HydrophobicContact CD1-CD1 4.39Å; I342-I397 HydrophobicContact CD1-CG1 4.32Å; I342-I397 HydrophobicContact CD1-CG2 4.48Å; I342-I397 HydrophobicContact CG1-CB 4.48Å; I342-I397 HydrophobicContact CG1-CG1 4.11Å; I342-I397 HydrophobicContact CG1-CG2 4.08Å; I342-I397 HydrophobicContact CG2-CG1 4.43Å; V395-I397 HydrophobicContact CG1-CD1 3.99Å; V395-I397 HydrophobicContact CG1-CG1 3.72Å; I397-W418 CarbonylContact O-C 3.49Å; I397-W418 WeakPolarHBondContact O-CA 3.45Å; I397-W418 VanDerWaalsContact O-CB 3.31Å; I397-W418 WeakPolarHBondContact O-CB 3.47Å; I397-L419 HydrophobicContact CB-CB 4.33Å; I397-L419 PolarHBondContact N-O 2.75Å; I397-L419 PolarHBondContact O-N 3.11Å; I397-V421 HydrophobicContact CD1-CG2 4.29Å |
| 398 | S | 98.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 140.7 | 171.4 | -170.4 | 0 | 0 | 0 | 0 | 112.4 | I340 F341 K401 W403 C415 C417 | I340-S398 CarbonylContact C-O 3.43Å; I340-S398 WeakPolarHBondContact CA-O 3.36Å; F341-S398 PolarHBondContact N-O 2.93Å; F341-S398 PolarHBondContact O-N 3.33Å; S398-K401 WeakPolarHBondContact CB-O 3.23Å; S398-K401 PolarHBondContact OG-O 3.34Å; S398-W403 VanDerWaalsContact CB-CZ3 3.41Å; S398-C415 WeakPolarHBondContact OG-CB 3.34Å; S398-C415 PolarHBondContact OG-SG 2.92Å; S398-C417 PolarHBondContact OG-O 3.34Å; S398-C417 VanDerWaalsContact OG-O 3.1Å |
| 399 | F | 98.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 133.9 | 175.1 | -62.4 | -78.2 | 0 | 0 | 0 | 111.1 | L298 V313 I317 I321 I340 K401 C417 L419 | L298-F399 HydrophobicContact CD1-CE2 3.97Å; L298-F399 HydrophobicContact CD1-CZ 4.21Å; V313-F399 HydrophobicContact CG1-CB 4.34Å; V313-F399 WeakPolarHBondContact CG1-O 3.22Å; I317-F399 HydrophobicContact CD1-CB 4.42Å; I317-F399 HydrophobicContact CD1-CD2 3.79Å; I317-F399 HydrophobicContact CD1-CE2 4.11Å; I317-F399 HydrophobicContact CD1-CG 4.06Å; I317-F399 HydrophobicContact CG1-CB 3.87Å; I317-F399 HydrophobicContact CG1-CD1 4.06Å; I317-F399 HydrophobicContact CG1-CD2 4.01Å; I317-F399 HydrophobicContact CG1-CG 3.73Å; I317-F399 HydrophobicContact CG2-CD1 4.09Å; I317-F399 HydrophobicContact CG2-CE1 3.91Å; I317-F399 HydrophobicContact CG2-CZ 4.2Å; I321-F399 HydrophobicContact CG2-CE1 4.11Å; I340-F399 HydrophobicContact CG2-CD1 3.92Å; I340-F399 HydrophobicContact CG2-CE1 4.44Å; F399-K401 PolarHBondContact O-N 3.04Å; F399-C417 HydrophobicContact CD2-CB 4.28Å; F399-C417 PolarHBondContact N-O 3.18Å; F399-C417 VanDerWaalsContact N-O 3.12Å; F399-L419 HydrophobicContact CE2-CD1 3.81Å; F399-L419 HydrophobicContact CE2-CD2 4.35Å; F399-L419 HydrophobicContact CE2-CG 3.73Å; F399-L419 HydrophobicContact CZ-CD1 3.59Å; F399-L419 HydrophobicContact CZ-CG 4.07Å |
| 400 | V | 97.7 | Very high | 89.1 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 66.8 | -34.7 | 170.4 | -171.3 | 0 | 0 | 0 | 0 | 115.3 | V313 K316 Y338 P339 F341 | V313-V400 HydrophobicContact CG1-CB 4.07Å; V313-V400 HydrophobicContact CG1-CG2 4.02Å; V313-V400 HydrophobicContact CG2-CB 4.44Å; K316-V400 HydrophobicContact CB-CG2 3.78Å; K316-V400 HydrophobicContact CD-CG1 4.19Å; Y338-V400 HydrophobicContact CD1-CG1 4.45Å; Y338-V400 HydrophobicContact CG-CG2 4.23Å; P339-V400 WeakPolarHBondContact O-CA 3.49Å; P339-V400 PolarHBondContact O-N 3.3Å; F341-V400 WeakPolarHBondContact CE2-O 3.42Å |
| 401 | K | 97.2 | Very high | 91 | Very high | 79 Ų | 79 | 52.8 Ų | 52.8 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | trans | -116.2 | 125.6 | -174.4 | -60.4 | -57.7 | -175 | 178.8 | 0 | 110.5 | V313 F341 S398 F399 P416 | V313-K401 HydrophobicContact CG2-CG 4.14Å; F341-K401 WeakPolarHBondContact CD2-O 3.42Å; F341-K401 VanDerWaalsContact CE2-C 3.45Å; S398-K401 WeakPolarHBondContact CB-O 3.23Å; S398-K401 PolarHBondContact OG-O 3.34Å; F399-K401 PolarHBondContact O-N 3.04Å; K401-P416 HydrophobicContact CG-CG 4.12Å | ||
| 402 | G | 94.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 48.3 Ų | 48.3 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | trans | -83.7 | 162.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F341 | F341-G402 VanDerWaalsContact CD1-CA 3.43Å; F341-G402 VanDerWaalsContact CE2-N 3.29Å | ||
| 403 | W | 95.1 | Very high | 93.5 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 2% | 0.023 | 26% | 0.256 | C | S | . | . | trans | -142.1 | 168.9 | 173.5 | 78.5 | 99.3 | 0 | 0 | 0 | 110.8 | F341 K343 V357 Q396 S398 Y407 R409 I412 | F341-W403 HydrophobicContact CB-CE3 4Å; F341-W403 HydrophobicContact CB-CH2 4.48Å; F341-W403 HydrophobicContact CB-CZ3 3.54Å; F341-W403 WeakPolarHBondContact O-CH2 3.32Å; F341-W403 VanDerWaalsContact O-CZ3 3.26Å; F341-W403 WeakPolarHBondContact O-CZ3 3.26Å; K343-W403 HydrophobicContact CB-CH2 4.07Å; K343-W403 HydrophobicContact CB-CZ2 3.48Å; K343-W403 VanDerWaalsContact CB-CZ2 3.48Å; K343-W403 HydrophobicContact CD-CZ2 4.23Å; K343-W403 HydrophobicContact CG-CZ2 4.49Å; V357-W403 WeakPolarHBondContact CB-O 3.3Å; V357-W403 HydrophobicContact CG1-CD2 4.1Å; V357-W403 HydrophobicContact CG1-CE3 3.91Å; V357-W403 HydrophobicContact CG1-CH2 4Å; V357-W403 HydrophobicContact CG1-CZ2 4.19Å; V357-W403 HydrophobicContact CG1-CZ3 3.86Å; V357-W403 HydrophobicContact CG2-CD2 4.08Å; V357-W403 HydrophobicContact CG2-CG 4.41Å; V357-W403 HydrophobicContact CG2-CZ2 3.94Å; V357-W403 VanDerWaalsContact CG2-O 3.22Å; V357-W403 WeakPolarHBondContact CG2-O 3.35Å; Q396-W403 HydrophobicContact CB-CH2 4.48Å; Q396-W403 HydrophobicContact CB-CZ2 4.28Å; S398-W403 VanDerWaalsContact CB-CZ3 3.41Å; W403-Y407 VanDerWaalsContact C-CD2 3.42Å; W403-Y407 WeakPolarHBondContact O-CD2 3.33Å; W403-R409 CarbonylContact C-O 3.35Å; W403-R409 WeakPolarHBondContact CA-O 3.32Å; W403-R409 HydrophobicContact CB-CB 3.98Å; W403-R409 WeakPolarHBondContact CB-O 2.85Å; W403-I412 HydrophobicContact CD2-CB 4.12Å; W403-I412 HydrophobicContact CD2-CG1 4.23Å; W403-I412 HydrophobicContact CE3-CG1 4.39Å; W403-I412 HydrophobicContact CG-CB 4.31Å; W403-I412 HydrophobicContact CH2-CD1 3.76Å; W403-I412 HydrophobicContact CH2-CG1 4.38Å; W403-I412 HydrophobicContact CZ2-CB 4.22Å; W403-I412 HydrophobicContact CZ2-CD1 3.7Å; W403-I412 HydrophobicContact CZ2-CG1 4.18Å; W403-I412 HydrophobicContact CZ3-CD1 4.21Å; W403-I412 HydrophobicContact CZ3-CG1 4.47Å | ||
| 404 | G | 89.6 | Confident | 93.9 | Very high | 12 Ų | 12 | 50.9 Ų | 50.9 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 104.1 | -169.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C406 Y407 R409 | G404-C406 PolarHBondContact O-N 2.71Å; G404-C406 VanDerWaalsContact O-N 3.15Å; G404-Y407 PolarHBondContact O-N 3.23Å; G404-Y407 VanDerWaalsContact O-O 3.11Å; G404-R409 PolarHBondContact N-O 3.36Å |
| 405 | Q | 83.8 | Confident | 94.2 | Very high | 151 Ų | 151 | 50 Ų | 50 | 71% | 0.706 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -32.1 | -169.5 | -65.2 | 174 | -2.5 | 0 | 0 | 113.7 | Y407 | Q405-Y407 VanDerWaalsContact C-N 3.27Å; Q405-Y407 PolarHBondContact O-N 2.7Å |
| 406 | C | 85.5 | Confident | 94.3 | Very high | 113 Ų | 113 | 49.9 Ų | 49.9 | 76% | 0.764 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 6.6 | 179.6 | -54.5 | 0 | 0 | 0 | 0 | 113.7 | G404 | G404-C406 PolarHBondContact O-N 2.71Å; G404-C406 VanDerWaalsContact O-N 3.15Å |
| 407 | Y | 90.1 | Very high | 94.3 | Very high | 69 Ų | 69 | 47.9 Ų | 47.9 | 27% | 0.271 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -133.6 | 160.2 | -173.6 | -58.4 | -85.6 | 0 | 0 | 0 | 111.5 | F341 W403 G404 Q405 R409 Q410 | F341-Y407 HydrophobicContact CD1-CE1 4.18Å; F341-Y407 HydrophobicContact CD1-CE2 4.49Å; F341-Y407 AromaticContact CD1-CZ 3.82Å; F341-Y407 AromaticContact CE1-CE1 3.58Å; F341-Y407 HydrophobicContact CE1-CE1 3.58Å; F341-Y407 AromaticContact CE1-CZ 3.58Å; F341-Y407 VanDerWaalsContact CE1-OH 3.24Å; F341-Y407 WeakPolarHBondContact CE1-OH 3.26Å; F341-Y407 HydrophobicContact CZ-CE1 4.33Å; W403-Y407 VanDerWaalsContact C-CD2 3.42Å; W403-Y407 WeakPolarHBondContact O-CD2 3.33Å; G404-Y407 PolarHBondContact O-N 3.23Å; G404-Y407 VanDerWaalsContact O-O 3.11Å; Q405-Y407 VanDerWaalsContact C-N 3.27Å; Q405-Y407 PolarHBondContact O-N 2.7Å; Y407-R409 PolarHBondContact O-N 3.02Å; Y407-Q410 PolarHBondContact O-NE2 3.39Å |
| 408 | T | 90.2 | Very high | 94.3 | Very high | 140 Ų | 140 | 48.5 Ų | 48.5 | 86% | 0.859 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -66.8 | -28.4 | 175.8 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 409 | R | 93.4 | Very high | 94.3 | Very high | 64 Ų | 64 | 48.5 Ų | 48.5 | 24% | 0.242 | 26% | 0.255 | C | S | . | . | trans | -88 | 120.8 | 176.2 | -62.5 | 178.3 | -170.7 | -73.1 | -13.9 | 108.7 | L309 W403 G404 Y407 S414 | L309-R409 VanDerWaalsContact CD2-NH2 3.28Å; W403-R409 CarbonylContact C-O 3.35Å; W403-R409 WeakPolarHBondContact CA-O 3.32Å; W403-R409 HydrophobicContact CB-CB 3.98Å; W403-R409 WeakPolarHBondContact CB-O 2.85Å; G404-R409 PolarHBondContact N-O 3.36Å; Y407-R409 PolarHBondContact O-N 3.02Å; R409-S414 WeakPolarHBondContact CD-O 3.04Å; R409-S414 PolarHBondContact NH1-O 2.99Å | ||
| 410 | Q | 92.1 | Very high | 94.3 | Very high | 99 Ų | 99 | 50.5 Ų | 50.5 | 46% | 0.463 | 26% | 0.264 | S | S | . | . | trans | -85.9 | -31.3 | 179.6 | -62.7 | -53.5 | -46.2 | 0 | 0 | 113.1 | Y407 | Y407-Q410 PolarHBondContact O-NE2 3.39Š| ||
| 411 | F | 93.6 | Very high | 94.3 | Very high | 143 Ų | 143 | 49.4 Ų | 49.4 | 63% | 0.627 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -115.7 | 147.6 | -176.8 | -56.1 | -76.9 | 0 | 0 | 0 | 111.4 | S413 S414 | F411-S413 PolarHBondContact O-N 3.47Å; F411-S414 VanDerWaalsContact O-CB 3.29Å; F411-S414 WeakPolarHBondContact O-CB 3.49Å; F411-S414 PolarHBondContact O-N 2.69Å |
| 412 | I | 95.3 | Very high | 94.2 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -63.4 | -31.5 | 176.4 | -169.7 | 166 | 0 | 0 | 0 | 112.3 | Q396 W403 S414 C415 W418 | Q396-I412 HydrophobicContact CB-CD1 3.54Å; Q396-I412 HydrophobicContact CG-CD1 3.98Å; W403-I412 HydrophobicContact CD2-CB 4.12Å; W403-I412 HydrophobicContact CD2-CG1 4.23Å; W403-I412 HydrophobicContact CE3-CG1 4.39Å; W403-I412 HydrophobicContact CG-CB 4.31Å; W403-I412 HydrophobicContact CH2-CD1 3.76Å; W403-I412 HydrophobicContact CH2-CG1 4.38Å; W403-I412 HydrophobicContact CZ2-CB 4.22Å; W403-I412 HydrophobicContact CZ2-CD1 3.7Å; W403-I412 HydrophobicContact CZ2-CG1 4.18Å; W403-I412 HydrophobicContact CZ3-CD1 4.21Å; W403-I412 HydrophobicContact CZ3-CG1 4.47Å; I412-S414 PolarHBondContact O-N 2.77Å; I412-S414 VanDerWaalsContact O-N 3.14Å; I412-C415 WeakPolarHBondContact O-CA 3.43Å; I412-C415 WeakPolarHBondContact O-CB 3.48Å; I412-C415 PolarHBondContact O-N 2.77Å; I412-W418 HydrophobicContact CD1-CB 4.08Å; I412-W418 HydrophobicContact CD1-CD2 3.74Å; I412-W418 HydrophobicContact CD1-CE3 3.33Å; I412-W418 HydrophobicContact CD1-CG 4.08Å; I412-W418 HydrophobicContact CD1-CZ3 3.99Å; I412-W418 HydrophobicContact CG1-CB 4.04Å; I412-W418 HydrophobicContact CG1-CD2 3.62Å; I412-W418 HydrophobicContact CG1-CE3 3.73Å; I412-W418 HydrophobicContact CG1-CG 3.77Å; I412-W418 HydrophobicContact CG1-CZ3 4.4Å; I412-W418 HydrophobicContact CG2-CE3 4.43Å; I412-W418 HydrophobicContact CG2-CH2 4.3Å; I412-W418 HydrophobicContact CG2-CZ2 4.44Å; I412-W418 HydrophobicContact CG2-CZ3 4.27Å |
| 413 | S | 96.3 | Very high | 94 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 26% | 0.259 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -68.8 | -9.9 | 176.1 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | E269 F411 C415 | E269-S413 CarbonylContact C-O 3.06Å; E269-S413 WeakPolarHBondContact CA-O 3.25Å; E269-S413 WeakPolarHBondContact O-CA 3.16Å; F411-S413 PolarHBondContact O-N 3.47Å; S413-C415 VanDerWaalsContact C-N 3.33Å |
| 414 | S | 96.6 | Very high | 93.6 | Very high | 43 Ų | 43 | 50.6 Ų | 50.6 | 30% | 0.301 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -84 | -9.3 | 166.5 | -55.6 | 0 | 0 | 0 | 0 | 112 | R409 F411 I412 | R409-S414 WeakPolarHBondContact CD-O 3.04Å; R409-S414 PolarHBondContact NH1-O 2.99Å; F411-S414 VanDerWaalsContact O-CB 3.29Å; F411-S414 WeakPolarHBondContact O-CB 3.49Å; F411-S414 PolarHBondContact O-N 2.69Å; I412-S414 PolarHBondContact O-N 2.77Å; I412-S414 VanDerWaalsContact O-N 3.14Å |
| 415 | C | 97.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -78.2 | 139.7 | 177.7 | -71.4 | 0 | 0 | 0 | 0 | 111.5 | E269 S398 I412 S413 C417 | E269-C415 VanDerWaalsContact CA-O 3.29Å; E269-C415 WeakPolarHBondContact CA-O 3.43Å; E269-C415 PolarHBondContact N-O 3.47Å; S398-C415 WeakPolarHBondContact OG-CB 3.34Å; S398-C415 PolarHBondContact OG-SG 2.92Å; I412-C415 WeakPolarHBondContact O-CA 3.43Å; I412-C415 WeakPolarHBondContact O-CB 3.48Å; I412-C415 PolarHBondContact O-N 2.77Å; S413-C415 VanDerWaalsContact C-N 3.33Å; C415-C417 PolarHBondContact O-N 2.82Å |
| 416 | P | 97.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -64.9 | -38.7 | -174.8 | -23.1 | 35.1 | 0 | 0 | 0 | 113.8 | E268 E269 L309 V310 V313 K401 | E268-P416 VanDerWaalsContact CA-O 3.25Å; E268-P416 WeakPolarHBondContact CA-O 3.15Å; E269-P416 PolarHBondContact N-O 3.01Å; L309-P416 HydrophobicContact CD1-CG 4.41Å; L309-P416 HydrophobicContact CD2-CG 3.62Å; L309-P416 HydrophobicContact CG-CB 4.21Å; L309-P416 HydrophobicContact CG-CG 3.62Å; V310-P416 HydrophobicContact CB-CB 4.45Å; V310-P416 HydrophobicContact CG2-CB 3.88Å; V313-P416 HydrophobicContact CB-CB 4.05Å; V313-P416 HydrophobicContact CG1-CB 4.44Å; V313-P416 HydrophobicContact CG2-CB 3.95Å; V313-P416 HydrophobicContact CG2-CG 3.96Å; K401-P416 HydrophobicContact CG-CG 4.12Å |
| 417 | C | 98.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -140.6 | 126.4 | 179.6 | -54.3 | 0 | 0 | 0 | 0 | 108.9 | Y266 W267 V313 I317 S398 F399 C415 | Y266-C417 HydrophobicContact CE2-CB 4.09Å; Y266-C417 PolarHBondContact OH-SG 3.43Å; W267-C417 WeakPolarHBondContact O-CA 3.29Å; V313-C417 HydrophobicContact CG1-CB 3.77Å; I317-C417 HydrophobicContact CD1-CB 4.21Å; S398-C417 PolarHBondContact OG-O 3.34Å; S398-C417 VanDerWaalsContact OG-O 3.1Å; F399-C417 HydrophobicContact CD2-CB 4.28Å; F399-C417 PolarHBondContact N-O 3.18Å; F399-C417 VanDerWaalsContact N-O 3.12Å; C415-C417 PolarHBondContact O-N 2.82Å |
| 418 | W | 98.6 | Very high | 91.1 | Very high | 13 Ų | 13 | 55.2 Ų | 55.2 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 164.1 | 179.4 | 63.6 | -79.7 | 0 | 0 | 0 | 112.2 | Y266 W267 E269 Q396 I397 I412 E420 | Y266-W418 WeakPolarHBondContact CD2-O 3.24Å; W267-W418 HydrophobicContact CB-CD2 3.66Å; W267-W418 HydrophobicContact CB-CE3 4.34Å; W267-W418 HydrophobicContact CB-CG 4.01Å; W267-W418 HydrophobicContact CB-CH2 4.23Å; W267-W418 HydrophobicContact CB-CZ2 3.53Å; W267-W418 VanDerWaalsContact CB-NE1 3.29Å; W267-W418 AromaticContact CD1-CE3 3.92Å; W267-W418 AromaticContact CD1-CH2 3.59Å; W267-W418 AromaticContact CD1-CZ2 3.81Å; W267-W418 AromaticContact CD1-CZ3 3.68Å; W267-W418 AromaticContact CD2-CH2 3.84Å; W267-W418 HydrophobicContact CD2-CH2 3.84Å; W267-W418 AromaticContact CD2-CZ2 3.63Å; W267-W418 HydrophobicContact CD2-CZ2 3.63Å; W267-W418 AromaticContact CE2-CH2 3.94Å; W267-W418 HydrophobicContact CE3-CZ2 4.05Å; W267-W418 HydrophobicContact CG-CD2 4.06Å; W267-W418 AromaticContact CG-CE2 3.61Å; W267-W418 HydrophobicContact CG-CE3 4.28Å; W267-W418 AromaticContact CG-CH2 3.67Å; W267-W418 HydrophobicContact CG-CH2 3.67Å; W267-W418 AromaticContact CG-CZ2 3.39Å; W267-W418 HydrophobicContact CG-CZ2 3.39Å; W267-W418 HydrophobicContact CG-CZ3 4.13Å; W267-W418 PolarHBondContact N-O 3.42Å; W267-W418 AromaticContact NE1-CH2 3.74Å; W267-W418 AromaticContact NE1-CZ3 3.99Å; W267-W418 PolarHBondContact O-N 3.43Å; E269-W418 PolarHBondContact O-NE1 2.81Å; Q396-W418 HydrophobicContact CG-CZ3 4.49Å; I397-W418 CarbonylContact O-C 3.49Å; I397-W418 WeakPolarHBondContact O-CA 3.45Å; I397-W418 VanDerWaalsContact O-CB 3.31Å; I397-W418 WeakPolarHBondContact O-CB 3.47Å; I412-W418 HydrophobicContact CD1-CB 4.08Å; I412-W418 HydrophobicContact CD1-CD2 3.74Å; I412-W418 HydrophobicContact CD1-CE3 3.33Å; I412-W418 HydrophobicContact CD1-CG 4.08Å; I412-W418 HydrophobicContact CD1-CZ3 3.99Å; I412-W418 HydrophobicContact CG1-CB 4.04Å; I412-W418 HydrophobicContact CG1-CD2 3.62Å; I412-W418 HydrophobicContact CG1-CE3 3.73Å; I412-W418 HydrophobicContact CG1-CG 3.77Å; I412-W418 HydrophobicContact CG1-CZ3 4.4Å; I412-W418 HydrophobicContact CG2-CE3 4.43Å; I412-W418 HydrophobicContact CG2-CH2 4.3Å; I412-W418 HydrophobicContact CG2-CZ2 4.44Å; I412-W418 HydrophobicContact CG2-CZ3 4.27Å; W418-E420 HydrophobicContact CZ3-CB 3.88Å |
| 419 | L | 98.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.8 | 178.9 | -60.7 | 169.9 | 0 | 0 | 0 | 109.7 | V264 A265 Y266 I286 I321 I397 F399 | V264-L419 HydrophobicContact CG1-CD2 3.96Å; A265-L419 VanDerWaalsContact O-CA 3.3Å; A265-L419 WeakPolarHBondContact O-CA 3.36Å; Y266-L419 HydrophobicContact CD2-CD2 3.8Å; Y266-L419 HydrophobicContact CG-CD2 4.36Å; I286-L419 HydrophobicContact CD1-CD1 3.78Å; I286-L419 HydrophobicContact CG2-CD1 4.11Å; I286-L419 HydrophobicContact CG2-CD2 4.48Å; I321-L419 HydrophobicContact CD1-CD1 3.79Å; I397-L419 HydrophobicContact CB-CB 4.33Å; I397-L419 PolarHBondContact N-O 2.75Å; I397-L419 PolarHBondContact O-N 3.11Å; F399-L419 HydrophobicContact CE2-CD1 3.81Å; F399-L419 HydrophobicContact CE2-CD2 4.35Å; F399-L419 HydrophobicContact CE2-CG 3.73Å; F399-L419 HydrophobicContact CZ-CD1 3.59Å; F399-L419 HydrophobicContact CZ-CG 4.07Å |
| 420 | E | 97.8 | Very high | 91 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.7 | 164.5 | -168.1 | 167.8 | -120.8 | 0 | 0 | 108 | V264 A265 T394 W418 I422 | V264-E420 CarbonylContact C-O 3.54Å; V264-E420 WeakPolarHBondContact CA-O 3.36Å; A265-E420 HydrophobicContact CB-CB 4.3Å; A265-E420 PolarHBondContact N-O 2.71Å; A265-E420 PolarHBondContact O-N 3.21Å; T394-E420 HydrophobicContact CG2-CG 3.48Å; T394-E420 VanDerWaalsContact CG2-CG 3.48Å; W418-E420 HydrophobicContact CZ3-CB 3.88Å; E420-I422 HydrophobicContact CG-CG1 4.18Å |
| 421 | V | 97.6 | Very high | 91 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.2 | 178.4 | -173.9 | 0 | 0 | 0 | 0 | 107.6 | C262 V264 L323 T394 V395 I397 F423 | C262-V421 HydrophobicContact CB-CG1 4.12Å; V264-V421 HydrophobicContact CG1-CG2 4.42Å; V264-V421 HydrophobicContact CG2-CG1 4.33Å; V264-V421 HydrophobicContact CG2-CG2 4.34Å; L323-V421 HydrophobicContact CD1-CG1 4.27Å; L323-V421 HydrophobicContact CD1-CG2 3.97Å; T394-V421 CarbonylContact C-O 3.5Å; T394-V421 VanDerWaalsContact CA-O 3.29Å; T394-V421 WeakPolarHBondContact CA-O 3.36Å; V395-V421 HydrophobicContact CB-CB 4.31Å; V395-V421 PolarHBondContact N-O 2.81Å; V395-V421 PolarHBondContact O-N 3.27Å; I397-V421 HydrophobicContact CD1-CG2 4.29Å; V421-F423 HydrophobicContact CB-CZ 4.36Å; V421-F423 HydrophobicContact CG1-CD1 4.36Å; V421-F423 HydrophobicContact CG1-CE1 3.56Å; V421-F423 HydrophobicContact CG1-CZ 3.7Å |
| 422 | I | 94.9 | Very high | 90.8 | Very high | 58 Ų | 58 | 40.2 Ų | 40.2 | 30% | 0.297 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.2 | -174.5 | -56 | 164.7 | 0 | 0 | 0 | 107.6 | C262 V263 T394 E420 | C262-I422 CarbonylContact C-O 3.44Å; C262-I422 WeakPolarHBondContact CA-O 3.48Å; C262-I422 VanDerWaalsContact CB-O 3.27Å; C262-I422 WeakPolarHBondContact CB-O 3.39Å; V263-I422 PolarHBondContact N-O 3.05Å; V263-I422 PolarHBondContact O-N 2.97Å; T394-I422 HydrophobicContact CG2-CG1 4.46Å; E420-I422 HydrophobicContact CG-CG1 4.18Å |
| 423 | F | 91.8 | Very high | 90.5 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 143.4 | -179.9 | -54.8 | -64.9 | 0 | 0 | 0 | 111.3 | W261 C262 V330 F369 F393 V395 V421 | W261-F423 HydrophobicContact CE3-CD1 4.17Å; W261-F423 HydrophobicContact CE3-CE1 4.35Å; W261-F423 HydrophobicContact CZ3-CD1 4.02Å; W261-F423 AromaticContact CZ3-CE1 3.74Å; W261-F423 HydrophobicContact CZ3-CE1 3.74Å; C262-F423 HydrophobicContact CB-CD1 3.61Å; C262-F423 HydrophobicContact CB-CE1 3.97Å; V330-F423 HydrophobicContact CB-CE1 4.14Å; V330-F423 HydrophobicContact CB-CZ 4.16Å; V330-F423 HydrophobicContact CG1-CE1 4Å; V330-F423 HydrophobicContact CG1-CZ 4.19Å; V330-F423 HydrophobicContact CG2-CD1 4.14Å; V330-F423 HydrophobicContact CG2-CE1 3.71Å; V330-F423 HydrophobicContact CG2-CZ 4.11Å; F369-F423 HydrophobicContact CB-CD2 4.27Å; F369-F423 HydrophobicContact CB-CE2 3.58Å; F369-F423 HydrophobicContact CB-CZ 3.87Å; F369-F423 AromaticContact CD1-CD2 3.81Å; F369-F423 HydrophobicContact CD1-CD2 3.81Å; F369-F423 AromaticContact CD1-CE2 4Å; F369-F423 HydrophobicContact CD1-CE2 4Å; F369-F423 HydrophobicContact CD1-CG 4.21Å; F369-F423 AromaticContact CD2-CD2 3.48Å; F369-F423 HydrophobicContact CD2-CD2 3.48Å; F369-F423 VanDerWaalsContact CD2-CD2 3.48Å; F369-F423 AromaticContact CD2-CE2 3.42Å; F369-F423 HydrophobicContact CD2-CE2 3.42Å; F369-F423 VanDerWaalsContact CD2-CE2 3.42Å; F369-F423 HydrophobicContact CD2-CZ 4.49Å; F369-F423 HydrophobicContact CE1-CB 4.38Å; F369-F423 AromaticContact CE1-CD2 3.92Å; F369-F423 HydrophobicContact CE1-CD2 3.92Å; F369-F423 HydrophobicContact CE1-CG 4.19Å; F369-F423 AromaticContact CE2-CD2 3.61Å; F369-F423 HydrophobicContact CE2-CD2 3.61Å; F369-F423 HydrophobicContact CE2-CE2 4.04Å; F369-F423 AromaticContact CG-CD2 3.58Å; F369-F423 HydrophobicContact CG-CD2 3.58Å; F369-F423 AromaticContact CG-CE2 3.38Å; F369-F423 HydrophobicContact CG-CE2 3.38Å; F369-F423 HydrophobicContact CG-CG 4.39Å; F369-F423 HydrophobicContact CG-CZ 4.08Å; F369-F423 HydrophobicContact CZ-CB 4.42Å; F369-F423 AromaticContact CZ-CD2 3.81Å; F369-F423 HydrophobicContact CZ-CD2 3.81Å; F369-F423 HydrophobicContact CZ-CG 4.37Å; F393-F423 HydrophobicContact CD1-CB 4.35Å; F393-F423 VanDerWaalsContact O-CD2 3.25Å; F393-F423 WeakPolarHBondContact O-CD2 3.33Å; F393-F423 PolarHBondContact O-N 3.04Å; V395-F423 HydrophobicContact CB-CE2 4.06Å; V395-F423 HydrophobicContact CB-CZ 4.23Å; V395-F423 HydrophobicContact CG2-CE2 3.52Å; V395-F423 HydrophobicContact CG2-CZ 3.93Å; V421-F423 HydrophobicContact CB-CZ 4.36Å; V421-F423 HydrophobicContact CG1-CD1 4.36Å; V421-F423 HydrophobicContact CG1-CE1 3.56Å; V421-F423 HydrophobicContact CG1-CZ 3.7Å |
| 424 | N | 85.3 | Confident | 90 | Very high | 50 Ų | 50 | 42.3 Ų | 42.3 | 27% | 0.267 | 21% | 0.205 | S | C | . | . | trans | -76.5 | 128.3 | 175.4 | -73.9 | -7.4 | 0 | 0 | 0 | 109.9 | H260 W261 R426 | H260-N424 PolarHBondContact CD2-ND2 2.78Å; H260-N424 PolarHBondContact NE2-ND2 3.45Å; H260-N424 PolarHBondContact O-ND2 2.91Å; W261-N424 PolarHBondContact O-N 2.79Å; N424-R426 PolarHBondContact O-N 3.41Å | ||
| 425 | S | 63.5 | Low | 89.5 | Confident | 76 Ų | 76 | 42.3 Ų | 42.3 | 53% | 0.531 | 20% | 0.197 | S | C | . | . | trans | -82 | 20.9 | -177.1 | 65.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 426 | R | 51.7 | Low | 88.7 | Confident | 256 Ų | 256 | 46.1 Ų | 46.1 | 97% | 0.966 | 22% | 0.215 | S | C | * | . | trans | -73.8 | 0 | -169.1 | -76.2 | -168.8 | 179.8 | -167.1 | 0.9 | 113.1 | N424 | N424-R426 PolarHBondContact O-N 3.41Š|
Retrieved 426 of 426 residues in 133.5 ms
(Link to these results)