| 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 | 44.9 | Very low | 57.9 | Low | 235 Ų | 235 | 134.6 Ų | 134.6 | 100% | 1.158 | 68% | 0.683 | S | S | * | * | 0 | 106.9 | 0 | -78.1 | -166.9 | 179.2 | 0 | 0 | 104.5 | |||||
| 2 | D | 38 | Very low | 60.4 | Low | 140 Ų | 140 | 126.8 Ų | 126.8 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | trans | -121.9 | 155.1 | -148.3 | -70.8 | -105 | 0 | 0 | 0 | 110.4 | ||||
| 3 | L | 45.5 | Very low | 62.6 | Low | 158 Ų | 158 | 117.1 Ų | 117.1 | 83% | 0.827 | 60% | 0.6 | S | S | * | * | trans | 41.4 | 108.8 | 165.4 | -79.5 | 73.1 | 0 | 0 | 0 | 117 | ||||
| 4 | E | 42.3 | Very low | 64.5 | Low | 170 Ų | 170 | 111.1 Ų | 111.1 | 79% | 0.794 | 57% | 0.57 | S | S | * | * | -163.9 | 86.5 | 101.3 | -99.2 | -158.3 | 106.3 | 0 | 0 | 109.8 | S6 | E4-S6 PolarHBondContact O-N 2.99Š| |||
| 5 | D | 43.7 | Very low | 66.2 | Low | 155 Ų | 155 | 103.7 Ų | 103.7 | 83% | 0.829 | 53% | 0.532 | S | S | * | . | trans | -75.6 | 74.6 | 162.9 | -168.5 | 9.2 | 0 | 0 | 0 | 108.5 | Q7 | D5-Q7 VanDerWaalsContact C-N 3.27Å; D5-Q7 PolarHBondContact O-N 3.35Å | ||
| 6 | S | 50.2 | Low | 67.6 | Low | 55 Ų | 55 | 100.9 Ų | 100.9 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | trans | -72.9 | 78 | -168.9 | -170.3 | 0 | 0 | 0 | 0 | 110.6 | E4 Q8 K33 | E4-S6 PolarHBondContact O-N 2.99Å; S6-Q8 PolarHBondContact O-N 3.23Å; S6-K33 PolarHBondContact O-NZ 2.89Å; S6-K33 PolarHBondContact OG-NZ 2.86Å | ||
| 7 | Q | 53.4 | Low | 68.6 | Low | 173 Ų | 173 | 96.1 Ų | 96.1 | 81% | 0.808 | 49% | 0.491 | S | S | * | . | trans | -32.1 | 103.8 | -170.2 | -72.9 | -161.6 | -20 | 0 | 0 | 112.6 | D5 K9 | D5-Q7 VanDerWaalsContact C-N 3.27Å; D5-Q7 PolarHBondContact O-N 3.35Å; Q7-K9 PolarHBondContact O-N 3.08Å | ||
| 8 | Q | 65.6 | Low | 69 | Low | 138 Ų | 138 | 95.8 Ų | 95.8 | 65% | 0.645 | 50% | 0.496 | S | S | * | . | trans | -71.3 | 100.9 | 178.5 | -68.6 | 177.3 | 4.8 | 0 | 0 | 107.4 | S6 T10 | S6-Q8 PolarHBondContact O-N 3.23Å; Q8-T10 PolarHBondContact O-N 3.02Å | ||
| 9 | K | 80.9 | Confident | 68.9 | Low | 143 Ų | 143 | 97 Ų | 97 | 62% | 0.622 | 50% | 0.504 | S | S | * | . | trans | -69.2 | 84.1 | 176.6 | -173.2 | -176.7 | 177.2 | -175.4 | 0 | 108.5 | Q7 M32 | Q7-K9 PolarHBondContact O-N 3.08Å; K9-M32 HydrophobicContact CB-CB 4.32Å; K9-M32 HydrophobicContact CD-CE 4.11Å; K9-M32 HydrophobicContact CG-CE 4.2Å; K9-M32 WeakPolarHBondContact O-CB 3.34Å; K9-M32 PolarHBondContact O-N 3.28Å; K9-M32 VanDerWaalsContact O-N 3.07Å | ||
| 10 | T | 86.1 | Confident | 68.7 | Low | 74 Ų | 74 | 101.3 Ų | 101.3 | 45% | 0.454 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 155.8 | 173.3 | 51.9 | 0 | 0 | 0 | 0 | 111 | Q8 V30 | Q8-T10 PolarHBondContact O-N 3.02Å; T10-V30 CarbonylContact C-O 3.59Å; T10-V30 VanDerWaalsContact CA-O 3.27Å; T10-V30 WeakPolarHBondContact CA-O 3.38Å |
| 11 | T | 86.6 | Confident | 68.3 | Low | 40 Ų | 40 | 100.2 Ų | 100.2 | 25% | 0.245 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 145.3 | 176.4 | -76.6 | 0 | 0 | 0 | 0 | 110.2 | V30 M32 P82 | T11-V30 PolarHBondContact N-O 2.86Å; T11-V30 WeakPolarHBondContact O-CB 3.45Å; T11-V30 PolarHBondContact O-N 3.16Å; T11-M32 HydrophobicContact CG2-CE 4.4Å; T11-M32 WeakPolarHBondContact OG1-CE 3.39Å; T11-P82 HydrophobicContact CG2-CG 4.38Å |
| 12 | S | 87.7 | Confident | 69.4 | Low | 40 Ų | 40 | 93 Ų | 93 | 28% | 0.28 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 137.9 | 172.7 | -48.9 | 0 | 0 | 0 | 0 | 110.1 | I27 D28 P82 | S12-I27 WeakPolarHBondContact CA-O 3.46Å; S12-D28 WeakPolarHBondContact CB-OD1 3.5Å; S12-D28 PolarHBondContact OG-OD1 2.94Å; S12-P82 WeakPolarHBondContact O-CD 3.48Å |
| 13 | L | 89.1 | Confident | 71.2 | Confident | 1 Ų | 1 | 94.4 Ų | 94.4 | 1% | 0.005 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 151 | 171.7 | 69.5 | 83.5 | 0 | 0 | 0 | 111.6 | V15 I26 I27 V30 L39 F75 P82 L84 | L13-V15 HydrophobicContact CD1-CG2 3.37Å; L13-I26 CarbonylContact O-C 3.51Å; L13-I26 WeakPolarHBondContact O-CA 3.41Å; L13-I27 HydrophobicContact CD1-CB 4.44Å; L13-I27 PolarHBondContact N-O 2.67Å; L13-I27 PolarHBondContact O-N 2.86Å; L13-V30 HydrophobicContact CD2-CB 4.23Å; L13-V30 HydrophobicContact CD2-CG1 4.12Å; L13-V30 HydrophobicContact CD2-CG2 3.79Å; L13-V30 HydrophobicContact CG-CG2 4.24Å; L13-L39 HydrophobicContact CD2-CD1 3.88Å; L13-L39 HydrophobicContact CD2-CD2 4.12Å; L13-F75 HydrophobicContact CB-CE2 4.43Å; L13-F75 HydrophobicContact CD2-CE2 3.96Å; L13-F75 HydrophobicContact CD2-CZ 4.22Å; L13-P82 HydrophobicContact CB-CG 3.9Å; L13-L84 HydrophobicContact CD1-CB 4.25Å; L13-L84 HydrophobicContact CD1-CD2 4.07Å |
| 14 | L | 89.5 | Confident | 73.1 | Confident | 34 Ų | 34 | 90.8 Ų | 90.8 | 18% | 0.178 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 107.2 | -178.1 | -177.3 | 68.3 | 0 | 0 | 0 | 110.3 | K16 D24 I26 I81 P82 T83 L84 | L14-K16 HydrophobicContact CG-CG 4.44Å; L14-D24 HydrophobicContact CD1-CB 4.03Å; L14-I26 HydrophobicContact CD1-CG1 3.69Å; L14-I81 HydrophobicContact CB-CG2 3.95Å; L14-P82 PolarHBondContact N-O 3.16Å; L14-T83 HydrophobicContact CD2-CG2 4.41Å; L14-L84 PolarHBondContact O-N 2.88Å |
| 15 | V | 89.9 | Confident | 75 | Confident | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 117.9 | 175.1 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | L13 D24 Q25 I27 L43 Y47 L84 L86 | L13-V15 HydrophobicContact CD1-CG2 3.37Å; V15-D24 WeakPolarHBondContact O-CA 3.47Å; V15-Q25 PolarHBondContact N-O 3.02Å; V15-Q25 PolarHBondContact O-N 2.99Å; V15-I27 HydrophobicContact CB-CD1 4.48Å; V15-I27 HydrophobicContact CG2-CD1 3.54Å; V15-I27 HydrophobicContact CG2-CG1 4.13Å; V15-L43 HydrophobicContact CG2-CD2 3.92Å; V15-Y47 HydrophobicContact CB-CE2 4.13Å; V15-Y47 HydrophobicContact CG1-CD2 4.31Å; V15-Y47 HydrophobicContact CG1-CE2 3.8Å; V15-L84 CarbonylContact C-O 3.59Å; V15-L84 WeakPolarHBondContact CA-O 3.46Å; V15-L84 HydrophobicContact CG2-CD2 4.36Å; V15-L86 HydrophobicContact CG1-CB 3.48Å; V15-L86 VanDerWaalsContact CG1-CB 3.48Å; V15-L86 HydrophobicContact CG1-CD2 3.88Å; V15-L86 HydrophobicContact CG1-CG 4.35Å |
| 16 | K | 88.9 | Confident | 77.1 | Confident | 59 Ų | 59 | 82.1 Ų | 82.1 | 26% | 0.257 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 146.5 | 170.6 | -51.4 | -155.1 | 174.9 | -130.6 | 0 | 110.7 | L14 D24 T83 L84 H85 L86 | L14-K16 HydrophobicContact CG-CG 4.44Å; K16-D24 WeakPolarHBondContact CA-OD1 3.37Å; K16-D24 VanDerWaalsContact CB-OD1 3.3Å; K16-D24 WeakPolarHBondContact CB-OD1 3.4Å; K16-D24 WeakPolarHBondContact CD-OD1 3.39Å; K16-D24 WeakPolarHBondContact CE-OD2 3.09Å; K16-D24 HydrophobicContact CG-CB 4.37Å; K16-D24 WeakPolarHBondContact CG-OD1 3.48Å; K16-D24 IonicContact NZ-OD2 2.66Å; K16-D24 PolarHBondContact NZ-OD2 3.12Å; K16-T83 HydrophobicContact CD-CG2 3.83Å; K16-T83 HydrophobicContact CG-CG2 3.87Å; K16-L84 PolarHBondContact N-O 3.06Å; K16-H85 CarbonylContact O-C 3.52Å; K16-H85 WeakPolarHBondContact O-CA 3.3Å; K16-L86 PolarHBondContact O-N 2.87Å |
| 17 | T | 84.3 | Confident | 78.8 | Confident | 19 Ų | 19 | 79.9 Ų | 79.9 | 12% | 0.117 | 42% | 0.415 | C | S | . | . | trans | -108.1 | 146.7 | 171.5 | 65.6 | 0 | 0 | 0 | 0 | 111.2 | N19 Q22 Y47 | T17-N19 PolarHBondContact O-N 2.96Å; T17-Q22 HydrophobicContact CG2-CB 4.37Å; T17-Q22 PolarHBondContact OG1-O 3.34Å; T17-Y47 HydrophobicContact CG2-CE1 4.22Å; T17-Y47 WeakPolarHBondContact CG2-OH 3.09Å | ||
| 18 | P | 75 | Confident | 80.3 | Confident | 90 Ų | 90 | 76.5 Ų | 76.5 | 58% | 0.584 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -14.9 | -177.3 | 30.5 | -38.7 | 0 | 0 | 0 | 113.8 | L86 V87 | P18-L86 VanDerWaalsContact CD-O 3.24Å; P18-L86 WeakPolarHBondContact CD-O 3.43Å; P18-V87 HydrophobicContact CG-CG1 4.39Å; P18-V87 HydrophobicContact CG-CG2 4.08Å |
| 19 | N | 66.5 | Low | 81.1 | Confident | 119 Ų | 119 | 71.6 Ų | 71.6 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -9.6 | -171.1 | -159.7 | 25.6 | 0 | 0 | 0 | 113.5 | T17 A21 | T17-N19 PolarHBondContact O-N 2.96Å; N19-A21 PolarHBondContact O-N 2.89Å |
| 20 | Q | 65.3 | Low | 81.4 | Confident | 182 Ų | 182 | 64.9 Ų | 64.9 | 85% | 0.85 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 55.2 | -11.1 | -170.7 | -62.4 | -176.4 | -8.2 | 0 | 0 | 116.4 | Q22 | Q20-Q22 PolarHBondContact O-N 2.82Š|
| 21 | A | 60.6 | Low | 81.5 | Confident | 80 Ų | 80 | 62 Ų | 62 | 66% | 0.661 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -73.1 | 1.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N19 | N19-A21 PolarHBondContact O-N 2.89Š|
| 22 | Q | 68.6 | Low | 81.5 | Confident | 83 Ų | 83 | 60.8 Ų | 60.8 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -135.5 | 127.6 | 170.5 | -71.1 | 175.2 | 9.4 | 0 | 0 | 107.4 | T17 Q20 | T17-Q22 HydrophobicContact CG2-CB 4.37Å; T17-Q22 PolarHBondContact OG1-O 3.34Å; Q20-Q22 PolarHBondContact O-N 2.82Å |
| 23 | E | 76.1 | Confident | 81.4 | Confident | 170 Ų | 170 | 64.2 Ų | 64.2 | 79% | 0.794 | 34% | 0.343 | S | S | * | . | trans | -61.7 | 150.6 | -177.8 | -63.4 | -179.4 | 161 | 0 | 0 | 112 | Q25 | E23-Q25 PolarHBondContact O-N 3.33Å; E23-Q25 PolarHBondContact O-NE2 3.16Å | ||
| 24 | D | 84.5 | Confident | 81.5 | Confident | 81 Ų | 81 | 67.4 Ų | 67.4 | 43% | 0.433 | 36% | 0.355 | S | S | . | . | trans | -63.1 | 123.5 | 175.2 | -66.7 | -25 | 0 | 0 | 0 | 109.7 | L14 V15 K16 | L14-D24 HydrophobicContact CD1-CB 4.03Å; V15-D24 WeakPolarHBondContact O-CA 3.47Å; K16-D24 WeakPolarHBondContact CA-OD1 3.37Å; K16-D24 VanDerWaalsContact CB-OD1 3.3Å; K16-D24 WeakPolarHBondContact CB-OD1 3.4Å; K16-D24 WeakPolarHBondContact CD-OD1 3.39Å; K16-D24 WeakPolarHBondContact CE-OD2 3.09Å; K16-D24 HydrophobicContact CG-CB 4.37Å; K16-D24 WeakPolarHBondContact CG-OD1 3.48Å; K16-D24 IonicContact NZ-OD2 2.66Å; K16-D24 PolarHBondContact NZ-OD2 3.12Å | ||
| 25 | Q | 83.1 | Confident | 81.6 | Confident | 50 Ų | 50 | 67 Ų | 67 | 23% | 0.234 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.8 | -175.1 | -79 | 158.4 | 65.1 | 0 | 0 | 111.4 | V15 E23 Y47 | V15-Q25 PolarHBondContact N-O 3.02Å; V15-Q25 PolarHBondContact O-N 2.99Å; E23-Q25 PolarHBondContact O-N 3.33Å; E23-Q25 PolarHBondContact O-NE2 3.16Å; Q25-Y47 HydrophobicContact CB-CE2 4.12Å; Q25-Y47 VanDerWaalsContact CD-CE2 3.47Å; Q25-Y47 HydrophobicContact CG-CE2 4.38Å; Q25-Y47 PolarHBondContact NE2-OH 2.98Å |
| 26 | I | 87.3 | Confident | 81.7 | Confident | 93 Ų | 93 | 67 Ų | 67 | 48% | 0.477 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 131.6 | 166.8 | -57.1 | 176.1 | 0 | 0 | 0 | 107.8 | L13 L14 | L13-I26 CarbonylContact O-C 3.51Å; L13-I26 WeakPolarHBondContact O-CA 3.41Å; L14-I26 HydrophobicContact CD1-CG1 3.69Å |
| 27 | I | 86.6 | Confident | 81.7 | Confident | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 111.2 | 175.6 | -60.9 | -177.4 | 0 | 0 | 0 | 107.7 | S12 L13 V15 V30 L43 V46 Y47 | S12-I27 WeakPolarHBondContact CA-O 3.46Å; L13-I27 HydrophobicContact CD1-CB 4.44Å; L13-I27 PolarHBondContact N-O 2.67Å; L13-I27 PolarHBondContact O-N 2.86Å; V15-I27 HydrophobicContact CB-CD1 4.48Å; V15-I27 HydrophobicContact CG2-CD1 3.54Å; V15-I27 HydrophobicContact CG2-CG1 4.13Å; I27-V30 HydrophobicContact CG2-CG2 4.13Å; I27-L43 HydrophobicContact CD1-CD2 3.34Å; I27-V46 HydrophobicContact CG2-CG1 4.39Å; I27-Y47 HydrophobicContact CD1-CD2 4.2Å |
| 28 | D | 84.1 | Confident | 82 | Confident | 103 Ų | 103 | 72.4 Ų | 72.4 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 162.2 | 177.7 | -59.7 | -51.2 | 0 | 0 | 0 | 111.7 | S12 | S12-D28 WeakPolarHBondContact CB-OD1 3.5Å; S12-D28 PolarHBondContact OG-OD1 2.94Å |
| 29 | G | 82.8 | Confident | 82.7 | Confident | 35 Ų | 35 | 68.1 Ų | 68.1 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 81.7 | 16.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D31 | G29-D31 PolarHBondContact O-N 2.81Å |
| 30 | V | 86.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 114.9 | 176.6 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | T10 T11 L13 I27 W34 L39 I71 | T10-V30 CarbonylContact C-O 3.59Å; T10-V30 VanDerWaalsContact CA-O 3.27Å; T10-V30 WeakPolarHBondContact CA-O 3.38Å; T11-V30 PolarHBondContact N-O 2.86Å; T11-V30 WeakPolarHBondContact O-CB 3.45Å; T11-V30 PolarHBondContact O-N 3.16Å; L13-V30 HydrophobicContact CD2-CB 4.23Å; L13-V30 HydrophobicContact CD2-CG1 4.12Å; L13-V30 HydrophobicContact CD2-CG2 3.79Å; L13-V30 HydrophobicContact CG-CG2 4.24Å; I27-V30 HydrophobicContact CG2-CG2 4.13Å; V30-W34 HydrophobicContact CB-CZ3 4.33Å; V30-W34 HydrophobicContact CG1-CE3 3.82Å; V30-W34 HydrophobicContact CG1-CZ3 3.97Å; V30-W34 HydrophobicContact CG2-CZ3 4.46Å; V30-L39 HydrophobicContact CG1-CD1 4.1Å; V30-L39 HydrophobicContact CG2-CD1 4.31Å; V30-I71 HydrophobicContact CG1-CG2 4.36Å |
| 31 | D | 88.3 | Confident | 85 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.07 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 130.4 | -179.4 | -179.1 | -0.4 | 0 | 0 | 0 | 111.5 | G29 K33 W34 | G29-D31 PolarHBondContact O-N 2.81Å; D31-K33 PolarHBondContact O-N 2.91Å; D31-K33 VanDerWaalsContact O-N 3.16Å; D31-K33 WeakPolarHBondContact OD1-CB 3.47Å; D31-K33 PolarHBondContact OD1-N 3.28Å; D31-W34 HydrophobicContact CB-CD2 4.05Å; D31-W34 HydrophobicContact CB-CG 4.07Å; D31-W34 HydrophobicContact CB-CZ2 4.18Å; D31-W34 WeakPolarHBondContact O-CB 3.18Å; D31-W34 PolarHBondContact O-N 3.36Å; D31-W34 VanDerWaalsContact O-N 3.13Å |
| 32 | M | 86.4 | Confident | 86.4 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26 | 175.7 | -149 | 65.3 | 59.7 | 0 | 0 | 113.8 | K9 T11 W34 I71 N72 F75 | K9-M32 HydrophobicContact CB-CB 4.32Å; K9-M32 HydrophobicContact CD-CE 4.11Å; K9-M32 HydrophobicContact CG-CE 4.2Å; K9-M32 WeakPolarHBondContact O-CB 3.34Å; K9-M32 PolarHBondContact O-N 3.28Å; K9-M32 VanDerWaalsContact O-N 3.07Å; T11-M32 HydrophobicContact CG2-CE 4.4Å; T11-M32 WeakPolarHBondContact OG1-CE 3.39Å; M32-W34 VanDerWaalsContact C-N 3.34Å; M32-I71 HydrophobicContact SD-CG2 4.27Å; M32-N72 HydrophobicContact CG-CB 3.77Å; M32-N72 WeakPolarHBondContact O-CB 3.31Å; M32-N72 PolarHBondContact O-N 2.54Å; M32-F75 HydrophobicContact SD-CB 4.33Å |
| 33 | K | 86.1 | Confident | 87.3 | Confident | 112 Ų | 112 | 49.4 Ų | 49.4 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -20.7 | 179.6 | -63.6 | 172.1 | 178.7 | 172.5 | 0 | 113.2 | S6 D31 H70 | S6-K33 PolarHBondContact O-NZ 2.89Å; S6-K33 PolarHBondContact OG-NZ 2.86Å; D31-K33 PolarHBondContact O-N 2.91Å; D31-K33 VanDerWaalsContact O-N 3.16Å; D31-K33 WeakPolarHBondContact OD1-CB 3.47Å; D31-K33 PolarHBondContact OD1-N 3.28Å; K33-H70 PolarHBondContact O-ND1 2.96Å |
| 34 | W | 90.7 | Very high | 87.8 | Confident | 68 Ų | 68 | 42.9 Ų | 42.9 | 26% | 0.258 | 22% | 0.224 | S | C | . | . | trans | -63.2 | 159.1 | -176.1 | -73.8 | 0.1 | 0 | 0 | 0 | 113.6 | V30 D31 M32 D38 H42 H70 I71 | V30-W34 HydrophobicContact CB-CZ3 4.33Å; V30-W34 HydrophobicContact CG1-CE3 3.82Å; V30-W34 HydrophobicContact CG1-CZ3 3.97Å; V30-W34 HydrophobicContact CG2-CZ3 4.46Å; D31-W34 HydrophobicContact CB-CD2 4.05Å; D31-W34 HydrophobicContact CB-CG 4.07Å; D31-W34 HydrophobicContact CB-CZ2 4.18Å; D31-W34 WeakPolarHBondContact O-CB 3.18Å; D31-W34 PolarHBondContact O-N 3.36Å; D31-W34 VanDerWaalsContact O-N 3.13Å; M32-W34 VanDerWaalsContact C-N 3.34Å; W34-D38 HydrophobicContact CB-CB 3.99Å; W34-D38 HydrophobicContact CD2-CB 4.35Å; W34-D38 HydrophobicContact CG-CB 4Å; W34-H42 HydrophobicContact CE3-CB 4.49Å; W34-H42 HydrophobicContact CH2-CB 4.31Å; W34-H42 AromaticContact CH2-CE1 3.99Å; W34-H42 AromaticContact CH2-CG 3.99Å; W34-H42 AromaticContact CH2-ND1 3.39Å; W34-H42 WeakPolarHBondContact CH2-ND1 3.24Å; W34-H42 HydrophobicContact CZ3-CB 3.75Å; W34-H42 AromaticContact CZ3-CG 3.66Å; W34-H42 AromaticContact CZ3-ND1 3.57Å; W34-H70 PolarHBondContact O-ND1 2.82Å; W34-I71 HydrophobicContact CB-CG1 4.06Å; W34-I71 WeakPolarHBondContact O-CG1 3.35Å; W34-I71 PolarHBondContact O-N 2.86Å | ||
| 35 | T | 92.2 | Very high | 87.8 | Confident | 27 Ų | 27 | 47.2 Ų | 47.2 | 17% | 0.166 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -90.8 | 165.4 | 164.4 | 68.6 | 0 | 0 | 0 | 0 | 111.3 | K37 D38 L39 L69 | T35-K37 PolarHBondContact O-N 2.95Å; T35-K37 WeakPolarHBondContact OG1-CB 3.38Å; T35-K37 PolarHBondContact OG1-N 3.04Å; T35-D38 WeakPolarHBondContact CB-OD2 3.01Å; T35-D38 PolarHBondContact N-OD2 3.08Å; T35-D38 PolarHBondContact O-N 2.92Å; T35-D38 VanDerWaalsContact OG1-CG 3.26Å; T35-D38 PolarHBondContact OG1-N 3.47Å; T35-D38 PolarHBondContact OG1-OD2 3.11Å; T35-L39 PolarHBondContact O-N 3.48Å; T35-L69 CarbonylContact C-O 3.56Å; T35-L69 WeakPolarHBondContact CA-O 3.48Å |
| 36 | V | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.3 | -33.4 | 169.1 | 166.4 | 0 | 0 | 0 | 0 | 111.7 | K40 L58 L65 P66 L69 L74 | V36-K40 WeakPolarHBondContact O-CG 3.49Å; V36-K40 PolarHBondContact O-N 2.99Å; V36-L58 HydrophobicContact CG1-CD1 4.29Å; V36-L65 HydrophobicContact CG1-CB 3.93Å; V36-L65 HydrophobicContact CG2-CB 4Å; V36-L65 HydrophobicContact CG2-CD1 4.22Å; V36-P66 WeakPolarHBondContact CB-O 3.15Å; V36-L69 HydrophobicContact CG2-CB 4.08Å; V36-L69 WeakPolarHBondContact CG2-O 3.46Å; V36-L69 PolarHBondContact N-O 3.49Å; V36-L74 HydrophobicContact CG2-CD1 3.99Å |
| 37 | K | 90.4 | Very high | 87.7 | Confident | 119 Ų | 119 | 44.3 Ų | 44.3 | 52% | 0.517 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.2 | -42.7 | 174.4 | -169.5 | -174 | 179.1 | -173.4 | 0 | 112.7 | T35 K40 A41 D67 | T35-K37 PolarHBondContact O-N 2.95Å; T35-K37 WeakPolarHBondContact OG1-CB 3.38Å; T35-K37 PolarHBondContact OG1-N 3.04Å; K37-K40 WeakPolarHBondContact O-CB 3.32Å; K37-K40 PolarHBondContact O-N 3.43Å; K37-A41 PolarHBondContact O-N 3.33Å; K37-D67 HydrophobicContact CB-CB 4.08Å; K37-D67 WeakPolarHBondContact CB-O 3.42Å; K37-D67 PolarHBondContact N-O 2.9Å; K37-D67 VanDerWaalsContact N-O 3.12Å |
| 38 | D | 90.4 | Very high | 87.3 | Confident | 71 Ų | 71 | 48.1 Ų | 48.1 | 38% | 0.38 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.4 | -37.9 | 179.2 | -51.8 | -53.2 | 0 | 0 | 0 | 110.8 | W34 T35 A41 H42 | W34-D38 HydrophobicContact CB-CB 3.99Å; W34-D38 HydrophobicContact CD2-CB 4.35Å; W34-D38 HydrophobicContact CG-CB 4Å; T35-D38 WeakPolarHBondContact CB-OD2 3.01Å; T35-D38 PolarHBondContact N-OD2 3.08Å; T35-D38 PolarHBondContact O-N 2.92Å; T35-D38 VanDerWaalsContact OG1-CG 3.26Å; T35-D38 PolarHBondContact OG1-N 3.47Å; T35-D38 PolarHBondContact OG1-OD2 3.11Å; D38-A41 CarbonylContact O-C 3.55Å; D38-A41 WeakPolarHBondContact O-CB 3.35Å; D38-A41 PolarHBondContact O-N 3.23Å; D38-A41 VanDerWaalsContact O-N 3.16Å; D38-H42 PolarHBondContact O-N 2.93Å |
| 39 | L | 89.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.4 | -47.5 | 168.4 | 173.6 | 59.4 | 0 | 0 | 0 | 111 | L13 V30 T35 A41 H42 L43 L58 I71 L84 | L13-L39 HydrophobicContact CD2-CD1 3.88Å; L13-L39 HydrophobicContact CD2-CD2 4.12Å; V30-L39 HydrophobicContact CG1-CD1 4.1Å; V30-L39 HydrophobicContact CG2-CD1 4.31Å; T35-L39 PolarHBondContact O-N 3.48Å; L39-A41 VanDerWaalsContact C-N 3.28Å; L39-A41 PolarHBondContact O-N 2.85Å; L39-H42 CarbonylContact O-C 3.56Å; L39-H42 WeakPolarHBondContact O-CA 3.18Å; L39-H42 WeakPolarHBondContact O-CB 3.41Å; L39-H42 PolarHBondContact O-N 3.28Å; L39-L43 HydrophobicContact CD1-CD1 4.17Å; L39-L43 HydrophobicContact CD1-CD2 4.25Å; L39-L43 HydrophobicContact CD1-CG 3.9Å; L39-L43 HydrophobicContact CG-CD1 4.05Å; L39-L43 HydrophobicContact CG-CG 4.25Å; L39-L43 VanDerWaalsContact O-CG 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.43Å; L39-L43 PolarHBondContact O-N 2.91Å; L39-L58 HydrophobicContact CD2-CD1 3.88Å; L39-L58 HydrophobicContact CG-CD1 4.06Å; L39-I71 HydrophobicContact CB-CD1 4.09Å; L39-I71 HydrophobicContact CD2-CD1 3.7Å; L39-L84 HydrophobicContact CD2-CD2 4.15Å |
| 40 | K | 90.9 | Very high | 86.6 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 174.7 | -70.9 | 174.9 | -179.7 | -174.1 | 0 | 112.5 | V36 K37 H42 L43 S44 I53 Q56 L58 D67 | V36-K40 WeakPolarHBondContact O-CG 3.49Å; V36-K40 PolarHBondContact O-N 2.99Å; K37-K40 WeakPolarHBondContact O-CB 3.32Å; K37-K40 PolarHBondContact O-N 3.43Å; K40-H42 VanDerWaalsContact C-N 3.32Å; K40-H42 PolarHBondContact O-N 3.23Å; K40-L43 PolarHBondContact O-N 2.66Å; K40-S44 WeakPolarHBondContact O-CB 3.47Å; K40-S44 PolarHBondContact O-N 3.4Å; K40-I53 HydrophobicContact CB-CG2 3.95Å; K40-I53 HydrophobicContact CD-CG2 4.38Å; K40-Q56 VanDerWaalsContact CA-OE1 3.23Å; K40-Q56 HydrophobicContact CD-CB 4.17Å; K40-Q56 WeakPolarHBondContact CE-O 3.27Å; K40-Q56 HydrophobicContact CG-CB 4.09Å; K40-Q56 PolarHBondContact NZ-O 2.92Å; K40-Q56 PolarHBondContact O-NE2 3.12Å; K40-Q56 PolarHBondContact O-OE1 2.6Å; K40-L58 HydrophobicContact CG-CD1 3.62Å; K40-L58 HydrophobicContact CG-CG 3.99Å; K40-D67 WeakPolarHBondContact CE-OD1 3Å; K40-D67 IonicContact NZ-OD1 2.66Å; K40-D67 PolarHBondContact NZ-OD1 2.88Å |
| 41 | A | 88.9 | Confident | 86.4 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 23% | 0.231 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.7 | -27.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K37 D38 L39 R45 I53 | K37-A41 PolarHBondContact O-N 3.33Å; D38-A41 CarbonylContact O-C 3.55Å; D38-A41 WeakPolarHBondContact O-CB 3.35Å; D38-A41 PolarHBondContact O-N 3.23Å; D38-A41 VanDerWaalsContact O-N 3.16Å; L39-A41 VanDerWaalsContact C-N 3.28Å; L39-A41 PolarHBondContact O-N 2.85Å; A41-R45 PolarHBondContact O-NE 3.26Å; A41-I53 HydrophobicContact CB-CD1 3.76Å |
| 42 | H | 88.9 | Confident | 86.2 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 13% | 0.125 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -74.2 | -50.1 | 170.5 | -177 | 97.3 | 0 | 0 | 0 | 111.4 | W34 D38 L39 K40 S44 R45 V46 | W34-H42 HydrophobicContact CE3-CB 4.49Å; W34-H42 HydrophobicContact CH2-CB 4.31Å; W34-H42 AromaticContact CH2-CE1 3.99Å; W34-H42 AromaticContact CH2-CG 3.99Å; W34-H42 AromaticContact CH2-ND1 3.39Å; W34-H42 WeakPolarHBondContact CH2-ND1 3.24Å; W34-H42 HydrophobicContact CZ3-CB 3.75Å; W34-H42 AromaticContact CZ3-CG 3.66Å; W34-H42 AromaticContact CZ3-ND1 3.57Å; D38-H42 PolarHBondContact O-N 2.93Å; L39-H42 CarbonylContact O-C 3.56Å; L39-H42 WeakPolarHBondContact O-CA 3.18Å; L39-H42 WeakPolarHBondContact O-CB 3.41Å; L39-H42 PolarHBondContact O-N 3.28Å; K40-H42 VanDerWaalsContact C-N 3.32Å; K40-H42 PolarHBondContact O-N 3.23Å; H42-S44 VanDerWaalsContact C-N 3.28Å; H42-S44 PolarHBondContact O-N 3Å; H42-R45 PolarHBondContact O-N 2.96Å; H42-V46 PolarHBondContact O-N 3.13Å |
| 43 | L | 87.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.7 | -39.9 | 175.4 | -66.9 | 176.6 | 0 | 0 | 0 | 112.2 | V15 I27 L39 K40 R45 Y47 L58 L84 | V15-L43 HydrophobicContact CG2-CD2 3.92Å; I27-L43 HydrophobicContact CD1-CD2 3.34Å; L39-L43 HydrophobicContact CD1-CD1 4.17Å; L39-L43 HydrophobicContact CD1-CD2 4.25Å; L39-L43 HydrophobicContact CD1-CG 3.9Å; L39-L43 HydrophobicContact CG-CD1 4.05Å; L39-L43 HydrophobicContact CG-CG 4.25Å; L39-L43 VanDerWaalsContact O-CG 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.43Å; L39-L43 PolarHBondContact O-N 2.91Å; K40-L43 PolarHBondContact O-N 2.66Å; L43-R45 PolarHBondContact O-N 3.16Å; L43-R45 VanDerWaalsContact O-N 3.08Å; L43-Y47 WeakPolarHBondContact O-CB 3.33Å; L43-Y47 PolarHBondContact O-N 2.99Å; L43-L58 HydrophobicContact CD1-CD1 3.89Å; L43-L58 HydrophobicContact CD1-CD2 3.59Å; L43-L58 HydrophobicContact CD1-CG 4.41Å; L43-L84 HydrophobicContact CD1-CD2 4.18Å |
| 44 | S | 86.5 | Confident | 86 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.3 | -19.8 | 175.9 | -175.4 | 0 | 0 | 0 | 0 | 114.1 | K40 H42 P51 | K40-S44 WeakPolarHBondContact O-CB 3.47Å; K40-S44 PolarHBondContact O-N 3.4Å; H42-S44 VanDerWaalsContact C-N 3.28Å; H42-S44 PolarHBondContact O-N 3Å; S44-P51 WeakPolarHBondContact CB-O 3.24Å; S44-P51 PolarHBondContact OG-O 3.43Å |
| 45 | R | 85.6 | Confident | 85.7 | Confident | 173 Ų | 173 | 53 Ų | 53 | 65% | 0.653 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -104.2 | -42.9 | -178.2 | -69.2 | 177.4 | -75.2 | 166.8 | -1.2 | 112.5 | A41 H42 L43 | A41-R45 PolarHBondContact O-NE 3.26Å; H42-R45 PolarHBondContact O-N 2.96Å; L43-R45 PolarHBondContact O-N 3.16Å; L43-R45 VanDerWaalsContact O-N 3.08Å |
| 46 | V | 84.6 | Confident | 85.5 | Confident | 80 Ų | 80 | 51.8 Ų | 51.8 | 49% | 0.485 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -87 | -34.4 | -174.3 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | I27 H42 | I27-V46 HydrophobicContact CG2-CG1 4.39Å; H42-V46 PolarHBondContact O-N 3.13Å |
| 47 | Y | 82 | Confident | 85.3 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -77.3 | 132.9 | -174 | -158.4 | -104.1 | 0 | 0 | 0 | 111.9 | V15 T17 Q25 I27 L43 S49 K50 L86 | V15-Y47 HydrophobicContact CB-CE2 4.13Å; V15-Y47 HydrophobicContact CG1-CD2 4.31Å; V15-Y47 HydrophobicContact CG1-CE2 3.8Å; T17-Y47 HydrophobicContact CG2-CE1 4.22Å; T17-Y47 WeakPolarHBondContact CG2-OH 3.09Å; Q25-Y47 HydrophobicContact CB-CE2 4.12Å; Q25-Y47 VanDerWaalsContact CD-CE2 3.47Å; Q25-Y47 HydrophobicContact CG-CE2 4.38Å; Q25-Y47 PolarHBondContact NE2-OH 2.98Å; I27-Y47 HydrophobicContact CD1-CD2 4.2Å; L43-Y47 WeakPolarHBondContact O-CB 3.33Å; L43-Y47 PolarHBondContact O-N 2.99Å; Y47-S49 VanDerWaalsContact C-N 3.29Å; Y47-S49 VanDerWaalsContact CD1-OG 3.24Å; Y47-S49 WeakPolarHBondContact CD1-OG 3.34Å; Y47-S49 WeakPolarHBondContact CE1-OG 3.39Å; Y47-S49 PolarHBondContact O-N 2.96Å; Y47-S49 VanDerWaalsContact O-N 3.11Å; Y47-K50 PolarHBondContact O-N 3.07Å; Y47-L86 HydrophobicContact CD1-CD2 3.67Å; Y47-L86 HydrophobicContact CD2-CD2 4.36Å; Y47-L86 HydrophobicContact CE1-CD2 3.82Å; Y47-L86 HydrophobicContact CE2-CD2 4.47Å; Y47-L86 HydrophobicContact CG-CD2 3.98Å |
| 48 | P | 78.5 | Confident | 85.3 | Confident | 88 Ų | 88 | 53.6 Ų | 53.6 | 57% | 0.571 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -33.6 | -170.8 | -30.7 | 36 | 0 | 0 | 0 | 116 | K50 | P48-K50 VanDerWaalsContact C-N 3.27Å; P48-K50 PolarHBondContact O-N 3.07Å |
| 49 | S | 73.7 | Confident | 85.3 | Confident | 54 Ų | 54 | 52.6 Ų | 52.6 | 38% | 0.378 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -1.9 | 178.8 | 61 | 0 | 0 | 0 | 0 | 114.5 | Y47 P51 | Y47-S49 VanDerWaalsContact C-N 3.29Å; Y47-S49 VanDerWaalsContact CD1-OG 3.24Å; Y47-S49 WeakPolarHBondContact CD1-OG 3.34Å; Y47-S49 WeakPolarHBondContact CE1-OG 3.39Å; Y47-S49 PolarHBondContact O-N 2.96Å; Y47-S49 VanDerWaalsContact O-N 3.11Å; S49-P51 VanDerWaalsContact C-CD 3.5Å |
| 50 | K | 79.9 | Confident | 85.3 | Confident | 151 Ų | 151 | 54 Ų | 54 | 66% | 0.657 | 30% | 0.296 | S | S | * | . | trans | 41.6 | 52.9 | 175.4 | -60.6 | -178.5 | -178.3 | 178 | 0 | 114.5 | Y47 P48 | Y47-K50 PolarHBondContact O-N 3.07Å; P48-K50 VanDerWaalsContact C-N 3.27Å; P48-K50 PolarHBondContact O-N 3.07Å | ||
| 51 | P | 81.1 | Confident | 85 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | trans | -69.8 | 136.6 | -173.4 | 29.8 | -35.7 | 0 | 0 | 0 | 111.9 | S44 S49 Q56 L86 C88 | S44-P51 WeakPolarHBondContact CB-O 3.24Å; S44-P51 PolarHBondContact OG-O 3.43Å; S49-P51 VanDerWaalsContact C-CD 3.5Å; P51-Q56 HydrophobicContact CB-CG 3.78Å; P51-Q56 HydrophobicContact CG-CG 3.72Å; P51-Q56 PolarHBondContact O-NE2 2.79Å; P51-L86 HydrophobicContact CG-CD2 4.37Å; P51-C88 HydrophobicContact CB-CB 4.27Å; P51-C88 WeakPolarHBondContact CB-SG 3.32Å | ||
| 52 | A | 84.8 | Confident | 84.7 | Confident | 49 Ų | 49 | 59.3 Ų | 59.3 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | trans | -63.8 | 139.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G54 D55 Q56 | A52-G54 VanDerWaalsContact C-N 3.28Å; A52-G54 PolarHBondContact O-N 3.29Å; A52-G54 VanDerWaalsContact O-N 3.12Å; A52-D55 HydrophobicContact CB-CB 4.45Å; A52-D55 WeakPolarHBondContact O-CA 3.35Å; A52-D55 WeakPolarHBondContact O-CB 3.4Å; A52-D55 PolarHBondContact O-N 3.36Å; A52-Q56 PolarHBondContact O-N 2.81Å; A52-Q56 VanDerWaalsContact O-N 3.16Å | ||
| 53 | I | 85.4 | Confident | 84.6 | Confident | 67 Ų | 67 | 65.6 Ų | 65.6 | 34% | 0.344 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -41.3 | -171 | -62.9 | 171 | 0 | 0 | 0 | 113.1 | K40 A41 Q56 | K40-I53 HydrophobicContact CB-CG2 3.95Å; K40-I53 HydrophobicContact CD-CG2 4.38Å; A41-I53 HydrophobicContact CB-CD1 3.76Å; I53-Q56 PolarHBondContact O-N 2.86Å |
| 54 | G | 81.5 | Confident | 84.7 | Confident | 77 Ų | 77 | 70.4 Ų | 70.4 | 79% | 0.794 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -20.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | A52 | A52-G54 VanDerWaalsContact C-N 3.28Å; A52-G54 PolarHBondContact O-N 3.29Å; A52-G54 VanDerWaalsContact O-N 3.12Å |
| 55 | D | 84.3 | Confident | 84.9 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 21% | 0.209 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -23.4 | 174.6 | -66.6 | -12 | 0 | 0 | 0 | 111.1 | A52 R57 P89 R91 | A52-D55 HydrophobicContact CB-CB 4.45Å; A52-D55 WeakPolarHBondContact O-CA 3.35Å; A52-D55 WeakPolarHBondContact O-CB 3.4Å; A52-D55 PolarHBondContact O-N 3.36Å; D55-R57 PolarHBondContact O-N 2.88Å; D55-P89 HydrophobicContact CB-CG 3.92Å; D55-P89 WeakPolarHBondContact O-CD 3.18Å; D55-R91 IonicContact OD1-NH1 2.94Å; D55-R91 PolarHBondContact OD1-NH1 2.82Å; D55-R91 IonicContact OD2-CZ 3.73Å; D55-R91 IonicContact OD2-NH1 2.67Å; D55-R91 PolarHBondContact OD2-NH1 3.23Å |
| 56 | Q | 88.6 | Confident | 85.1 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | trans | -72.1 | 117.9 | -178.4 | -67.4 | -179.8 | 42 | 0 | 0 | 112.9 | K40 P51 A52 I53 L86 | K40-Q56 VanDerWaalsContact CA-OE1 3.23Å; K40-Q56 HydrophobicContact CD-CB 4.17Å; K40-Q56 WeakPolarHBondContact CE-O 3.27Å; K40-Q56 HydrophobicContact CG-CB 4.09Å; K40-Q56 PolarHBondContact NZ-O 2.92Å; K40-Q56 PolarHBondContact O-NE2 3.12Å; K40-Q56 PolarHBondContact O-OE1 2.6Å; P51-Q56 HydrophobicContact CB-CG 3.78Å; P51-Q56 HydrophobicContact CG-CG 3.72Å; P51-Q56 PolarHBondContact O-NE2 2.79Å; A52-Q56 PolarHBondContact O-N 2.81Å; A52-Q56 VanDerWaalsContact O-N 3.16Å; I53-Q56 PolarHBondContact O-N 2.86Å; Q56-L86 HydrophobicContact CB-CD1 4.25Å; Q56-L86 HydrophobicContact CG-CD1 4.07Å | ||
| 57 | R | 88.4 | Confident | 85.3 | Confident | 157 Ų | 157 | 62.8 Ų | 62.8 | 59% | 0.592 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 114.6 | 166.6 | -65.7 | 178.8 | -177.7 | -123.9 | -1.9 | 108.8 | D55 L64 V87 | D55-R57 PolarHBondContact O-N 2.88Å; R57-L64 HydrophobicContact CB-CD1 3.89Å; R57-L64 HydrophobicContact CG-CD1 4.37Å; R57-V87 HydrophobicContact CB-CB 4.2Å; R57-V87 PolarHBondContact N-O 2.8Å; R57-V87 PolarHBondContact O-N 2.87Å |
| 58 | L | 90.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.6 | 178 | -53.4 | -173.5 | 0 | 0 | 0 | 108.8 | V36 L39 K40 L43 L65 L84 L86 | V36-L58 HydrophobicContact CG1-CD1 4.29Å; L39-L58 HydrophobicContact CD2-CD1 3.88Å; L39-L58 HydrophobicContact CG-CD1 4.06Å; K40-L58 HydrophobicContact CG-CD1 3.62Å; K40-L58 HydrophobicContact CG-CG 3.99Å; L43-L58 HydrophobicContact CD1-CD1 3.89Å; L43-L58 HydrophobicContact CD1-CD2 3.59Å; L43-L58 HydrophobicContact CD1-CG 4.41Å; L58-L65 HydrophobicContact CB-CB 4.29Å; L58-L65 HydrophobicContact CB-CD1 4.14Å; L58-L65 WeakPolarHBondContact O-CB 3.13Å; L58-L65 PolarHBondContact O-N 2.97Å; L58-L84 HydrophobicContact CB-CD1 4.3Å; L58-L84 HydrophobicContact CD1-CD2 4.26Å; L58-L84 HydrophobicContact CD2-CD2 4.15Å; L58-L86 HydrophobicContact CD2-CB 4.43Å; L58-L86 HydrophobicContact CD2-CD1 3.51Å |
| 59 | I | 90.4 | Very high | 86.2 | Confident | 51 Ų | 51 | 68 Ų | 68 | 26% | 0.262 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.4 | -179.1 | -60.5 | 172.6 | 0 | 0 | 0 | 108.6 | K63 L64 H85 V87 | I59-K63 CarbonylContact C-O 3.46Å; I59-K63 VanDerWaalsContact CA-O 3.31Å; I59-K63 WeakPolarHBondContact CA-O 3.37Å; I59-L64 HydrophobicContact CG1-CD1 3.98Å; I59-H85 HydrophobicContact CB-CB 4.16Å; I59-H85 PolarHBondContact N-O 3.14Å; I59-H85 PolarHBondContact O-N 3.38Å; I59-V87 HydrophobicContact CD1-CG2 3.89Å |
| 60 | F | 89.3 | Confident | 87 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 12% | 0.123 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 130.4 | -177.1 | 172.6 | -98.2 | 0 | 0 | 0 | 109.6 | G62 K63 L65 L74 F75 M78 P82 T83 L84 | F60-G62 PolarHBondContact O-N 3.31Å; F60-G62 VanDerWaalsContact O-N 3.09Å; F60-K63 PolarHBondContact N-O 3.49Å; F60-K63 PolarHBondContact O-N 3.03Å; F60-L65 HydrophobicContact CB-CD1 3.86Å; F60-L65 HydrophobicContact CB-CD2 3.95Å; F60-L65 HydrophobicContact CB-CG 3.98Å; F60-L74 HydrophobicContact CD1-CD2 4Å; F60-L74 HydrophobicContact CE1-CD2 4.27Å; F60-F75 AromaticContact CD2-CE1 3.98Å; F60-F75 HydrophobicContact CD2-CE1 3.98Å; F60-F75 HydrophobicContact CE2-CD1 4.01Å; F60-F75 AromaticContact CE2-CE1 3.74Å; F60-F75 HydrophobicContact CE2-CE1 3.74Å; F60-F75 HydrophobicContact CZ-CD1 4.13Å; F60-F75 HydrophobicContact CZ-CE1 4.23Å; F60-M78 HydrophobicContact CE2-SD 3.81Å; F60-M78 HydrophobicContact CZ-SD 3.54Å; F60-M78 VanDerWaalsContact CZ-SD 3.54Å; F60-P82 HydrophobicContact CE2-CB 4.04Å; F60-T83 WeakPolarHBondContact CD2-O 3.38Å; F60-L84 HydrophobicContact CB-CD1 4.32Å |
| 61 | A | 83.5 | Confident | 87.4 | Confident | 86 Ų | 86 | 62.3 Ų | 62.3 | 71% | 0.711 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 38.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K63 | A61-K63 VanDerWaalsContact C-N 3.27Å; A61-K63 PolarHBondContact O-N 3.13Å |
| 62 | G | 83.3 | Confident | 87.6 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 74% | 0.742 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | -7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | F60 | F60-G62 PolarHBondContact O-N 3.31Å; F60-G62 VanDerWaalsContact O-N 3.09Å |
| 63 | K | 87.4 | Confident | 87.6 | Confident | 158 Ų | 158 | 66.3 Ų | 66.3 | 69% | 0.687 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 136.7 | 179 | -61.3 | -178.9 | -177.9 | 177.4 | 0 | 111.4 | I59 F60 A61 | I59-K63 CarbonylContact C-O 3.46Å; I59-K63 VanDerWaalsContact CA-O 3.31Å; I59-K63 WeakPolarHBondContact CA-O 3.37Å; F60-K63 PolarHBondContact N-O 3.49Å; F60-K63 PolarHBondContact O-N 3.03Å; A61-K63 VanDerWaalsContact C-N 3.27Å; A61-K63 PolarHBondContact O-N 3.13Å |
| 64 | L | 89.7 | Confident | 87.3 | Confident | 102 Ų | 102 | 64.2 Ų | 64.2 | 53% | 0.534 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 128 | 169.5 | -177.5 | 70.4 | 0 | 0 | 0 | 109.5 | R57 I59 | R57-L64 HydrophobicContact CB-CD1 3.89Å; R57-L64 HydrophobicContact CG-CD1 4.37Å; I59-L64 HydrophobicContact CG1-CD1 3.98Å |
| 65 | L | 89.8 | Confident | 87.3 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 123.1 | -179.8 | -63.7 | -177 | 0 | 0 | 0 | 111.4 | V36 L58 F60 L69 L74 L84 | V36-L65 HydrophobicContact CG1-CB 3.93Å; V36-L65 HydrophobicContact CG2-CB 4Å; V36-L65 HydrophobicContact CG2-CD1 4.22Å; L58-L65 HydrophobicContact CB-CB 4.29Å; L58-L65 HydrophobicContact CB-CD1 4.14Å; L58-L65 WeakPolarHBondContact O-CB 3.13Å; L58-L65 PolarHBondContact O-N 2.97Å; F60-L65 HydrophobicContact CB-CD1 3.86Å; F60-L65 HydrophobicContact CB-CD2 3.95Å; F60-L65 HydrophobicContact CB-CG 3.98Å; L65-L69 HydrophobicContact CD2-CD2 4.31Å; L65-L74 HydrophobicContact CD1-CD1 3.77Å; L65-L74 HydrophobicContact CD2-CD1 3.73Å; L65-L74 HydrophobicContact CD2-CD2 3.55Å; L65-L74 HydrophobicContact CD2-CG 4.3Å; L65-L74 HydrophobicContact CG-CD1 4.36Å; L65-L84 HydrophobicContact CD1-CD1 3.71Å |
| 66 | P | 89.9 | Confident | 86.8 | Confident | 51 Ų | 51 | 68 Ų | 68 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 147.2 | 174.1 | 34.3 | -33.3 | 0 | 0 | 0 | 111.1 | V36 H68 L69 | V36-P66 WeakPolarHBondContact CB-O 3.15Å; P66-H68 PolarHBondContact O-N 2.87Å; P66-L69 HydrophobicContact CG-CB 4.21Å; P66-L69 PolarHBondContact O-N 3.27Å; P66-L69 VanDerWaalsContact O-N 3.13Å |
| 67 | D | 90.3 | Very high | 85.6 | Confident | 67 Ų | 67 | 76.7 Ų | 76.7 | 36% | 0.358 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -27.5 | -172.4 | -77.4 | 24.5 | 0 | 0 | 0 | 115.4 | K37 K40 | K37-D67 HydrophobicContact CB-CB 4.08Å; K37-D67 WeakPolarHBondContact CB-O 3.42Å; K37-D67 PolarHBondContact N-O 2.9Å; K37-D67 VanDerWaalsContact N-O 3.12Å; K40-D67 WeakPolarHBondContact CE-OD1 3Å; K40-D67 IonicContact NZ-OD1 2.66Å; K40-D67 PolarHBondContact NZ-OD1 2.88Å |
| 68 | H | 88.5 | Confident | 84.6 | Confident | 149 Ų | 149 | 72.8 Ų | 72.8 | 69% | 0.69 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -8 | -176.2 | 59.8 | -110.9 | 0 | 0 | 0 | 114.7 | P66 | P66-H68 PolarHBondContact O-N 2.87Š|
| 69 | L | 89.5 | Confident | 83.3 | Confident | 50 Ų | 50 | 81.5 Ų | 81.5 | 26% | 0.262 | 43% | 0.427 | S | S | . | . | trans | -79.6 | 142.9 | -175.3 | -170.2 | 59.1 | 0 | 0 | 0 | 111 | T35 V36 L65 P66 L74 | T35-L69 CarbonylContact C-O 3.56Å; T35-L69 WeakPolarHBondContact CA-O 3.48Å; V36-L69 HydrophobicContact CG2-CB 4.08Å; V36-L69 WeakPolarHBondContact CG2-O 3.46Å; V36-L69 PolarHBondContact N-O 3.49Å; L65-L69 HydrophobicContact CD2-CD2 4.31Å; P66-L69 HydrophobicContact CG-CB 4.21Å; P66-L69 PolarHBondContact O-N 3.27Å; P66-L69 VanDerWaalsContact O-N 3.13Å; L69-L74 HydrophobicContact CD2-CD1 4.17Å; L69-L74 HydrophobicContact CD2-CD2 3.66Å; L69-L74 HydrophobicContact CD2-CG 3.97Å; L69-L74 HydrophobicContact CG-CD1 4.4Å; L69-L74 HydrophobicContact CG-CD2 4.48Å; L69-L74 HydrophobicContact CG-CG 4.27Å | ||
| 70 | H | 90.6 | Very high | 82.6 | Confident | 84 Ų | 84 | 83.3 Ų | 83.3 | 39% | 0.389 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -86.2 | 146.7 | 179.7 | -77.3 | -80.6 | 0 | 0 | 0 | 112.9 | K33 W34 N72 D73 | K33-H70 PolarHBondContact O-ND1 2.96Å; W34-H70 PolarHBondContact O-ND1 2.82Å; H70-N72 VanDerWaalsContact C-N 3.34Å; H70-N72 PolarHBondContact O-N 3.21Å; H70-D73 PolarHBondContact O-N 2.78Å |
| 71 | I | 88.7 | Confident | 82.3 | Confident | 1 Ų | 1 | 85.5 Ų | 85.5 | 1% | 0.005 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 178.4 | -64.5 | -57 | 0 | 0 | 0 | 111.6 | V30 M32 W34 L39 D73 L74 F75 | V30-I71 HydrophobicContact CG1-CG2 4.36Å; M32-I71 HydrophobicContact SD-CG2 4.27Å; W34-I71 HydrophobicContact CB-CG1 4.06Å; W34-I71 WeakPolarHBondContact O-CG1 3.35Å; W34-I71 PolarHBondContact O-N 2.86Å; L39-I71 HydrophobicContact CB-CD1 4.09Å; L39-I71 HydrophobicContact CD2-CD1 3.7Å; I71-D73 VanDerWaalsContact C-N 3.32Å; I71-D73 PolarHBondContact O-N 3.35Å; I71-L74 PolarHBondContact O-N 2.95Å; I71-F75 HydrophobicContact CD1-CE2 4.43Å; I71-F75 HydrophobicContact CG2-CD2 3.49Å; I71-F75 VanDerWaalsContact CG2-CD2 3.49Å; I71-F75 HydrophobicContact CG2-CE2 3.63Å; I71-F75 HydrophobicContact CG2-CG 4.43Å; I71-F75 PolarHBondContact O-N 2.9Å |
| 72 | N | 86.3 | Confident | 82.4 | Confident | 44 Ų | 44 | 81.7 Ų | 81.7 | 24% | 0.235 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -48.6 | -49.5 | 170.4 | 175.6 | 69.3 | 0 | 0 | 0 | 113.1 | M32 H70 L74 F75 R76 | M32-N72 HydrophobicContact CG-CB 3.77Å; M32-N72 WeakPolarHBondContact O-CB 3.31Å; M32-N72 PolarHBondContact O-N 2.54Å; H70-N72 VanDerWaalsContact C-N 3.34Å; H70-N72 PolarHBondContact O-N 3.21Å; N72-L74 PolarHBondContact O-N 3.19Å; N72-F75 PolarHBondContact O-N 3.33Å; N72-R76 PolarHBondContact ND2-NH2 3.33Å; N72-R76 VanDerWaalsContact ND2-NH2 3.2Å; N72-R76 WeakPolarHBondContact O-CB 3.38Å; N72-R76 PolarHBondContact O-N 3.28Å; N72-R76 PolarHBondContact OD1-NE 3.24Å; N72-R76 VanDerWaalsContact OD1-NE 3.16Å; N72-R76 PolarHBondContact OD1-NH2 3.46Å |
| 73 | D | 83.9 | Confident | 82.7 | Confident | 101 Ų | 101 | 80.6 Ų | 80.6 | 54% | 0.54 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -75.7 | -18.6 | -170.7 | -52.6 | -27.6 | 0 | 0 | 0 | 112.1 | H70 I71 | H70-D73 PolarHBondContact O-N 2.78Å; I71-D73 VanDerWaalsContact C-N 3.32Å; I71-D73 PolarHBondContact O-N 3.35Å |
| 74 | L | 80.1 | Confident | 82.8 | Confident | 23 Ų | 23 | 73 Ų | 73 | 12% | 0.12 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -84.6 | -42.4 | 174.7 | -69.4 | 170.9 | 0 | 0 | 0 | 112.9 | V36 F60 L65 L69 I71 N72 | V36-L74 HydrophobicContact CG2-CD1 3.99Å; F60-L74 HydrophobicContact CD1-CD2 4Å; F60-L74 HydrophobicContact CE1-CD2 4.27Å; L65-L74 HydrophobicContact CD1-CD1 3.77Å; L65-L74 HydrophobicContact CD2-CD1 3.73Å; L65-L74 HydrophobicContact CD2-CD2 3.55Å; L65-L74 HydrophobicContact CD2-CG 4.3Å; L65-L74 HydrophobicContact CG-CD1 4.36Å; L69-L74 HydrophobicContact CD2-CD1 4.17Å; L69-L74 HydrophobicContact CD2-CD2 3.66Å; L69-L74 HydrophobicContact CD2-CG 3.97Å; L69-L74 HydrophobicContact CG-CD1 4.4Å; L69-L74 HydrophobicContact CG-CD2 4.48Å; L69-L74 HydrophobicContact CG-CG 4.27Å; I71-L74 PolarHBondContact O-N 2.95Å; N72-L74 PolarHBondContact O-N 3.19Å |
| 75 | F | 80.7 | Confident | 82.8 | Confident | 13 Ų | 13 | 72 Ų | 72 | 6% | 0.057 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -105.8 | -8.1 | -168.3 | -55.8 | -21.1 | 0 | 0 | 0 | 114.1 | L13 M32 F60 I71 N72 Q77 M78 P82 | L13-F75 HydrophobicContact CB-CE2 4.43Å; L13-F75 HydrophobicContact CD2-CE2 3.96Å; L13-F75 HydrophobicContact CD2-CZ 4.22Å; M32-F75 HydrophobicContact SD-CB 4.33Å; F60-F75 AromaticContact CD2-CE1 3.98Å; F60-F75 HydrophobicContact CD2-CE1 3.98Å; F60-F75 HydrophobicContact CE2-CD1 4.01Å; F60-F75 AromaticContact CE2-CE1 3.74Å; F60-F75 HydrophobicContact CE2-CE1 3.74Å; F60-F75 HydrophobicContact CZ-CD1 4.13Å; F60-F75 HydrophobicContact CZ-CE1 4.23Å; I71-F75 HydrophobicContact CD1-CE2 4.43Å; I71-F75 HydrophobicContact CG2-CD2 3.49Å; I71-F75 VanDerWaalsContact CG2-CD2 3.49Å; I71-F75 HydrophobicContact CG2-CE2 3.63Å; I71-F75 HydrophobicContact CG2-CG 4.43Å; I71-F75 PolarHBondContact O-N 2.9Å; N72-F75 PolarHBondContact O-N 3.33Å; F75-Q77 PolarHBondContact O-N 3.2Å; F75-Q77 VanDerWaalsContact O-N 3.14Å; F75-M78 PolarHBondContact O-N 3.33Å; F75-P82 HydrophobicContact CB-CG 4.34Å; F75-P82 HydrophobicContact CD1-CB 3.37Å; F75-P82 HydrophobicContact CD1-CG 3.81Å; F75-P82 HydrophobicContact CD2-CB 4.21Å; F75-P82 HydrophobicContact CD2-CG 3.7Å; F75-P82 HydrophobicContact CE1-CB 3.44Å; F75-P82 VanDerWaalsContact CE1-CB 3.44Å; F75-P82 HydrophobicContact CE1-CG 3.99Å; F75-P82 HydrophobicContact CE2-CB 4.24Å; F75-P82 HydrophobicContact CE2-CG 3.86Å; F75-P82 HydrophobicContact CG-CB 3.81Å; F75-P82 HydrophobicContact CG-CG 3.69Å; F75-P82 HydrophobicContact CZ-CB 3.89Å; F75-P82 HydrophobicContact CZ-CG 4.02Å |
| 76 | R | 72.9 | Confident | 82.8 | Confident | 182 Ų | 182 | 71.8 Ų | 71.8 | 69% | 0.687 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.6 | 177.4 | 169.2 | 177.8 | -69.1 | -145.2 | -3.2 | 114.7 | N72 | N72-R76 PolarHBondContact ND2-NH2 3.33Å; N72-R76 VanDerWaalsContact ND2-NH2 3.2Å; N72-R76 WeakPolarHBondContact O-CB 3.38Å; N72-R76 PolarHBondContact O-N 3.28Å; N72-R76 PolarHBondContact OD1-NE 3.24Å; N72-R76 VanDerWaalsContact OD1-NE 3.16Å; N72-R76 PolarHBondContact OD1-NH2 3.46Å |
| 77 | Q | 64.9 | Low | 82.7 | Confident | 185 Ų | 185 | 71.5 Ų | 71.5 | 86% | 0.864 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 23.8 | -174.2 | -151.9 | -170.7 | -54 | 0 | 0 | 113.4 | F75 | F75-Q77 PolarHBondContact O-N 3.2Å; F75-Q77 VanDerWaalsContact O-N 3.14Å |
| 78 | M | 67.1 | Low | 82.3 | Confident | 75 Ų | 75 | 70.4 Ų | 70.4 | 37% | 0.369 | 36% | 0.357 | S | S | . | . | trans | -131.7 | 120.4 | -174 | -57.5 | -174.1 | 74.9 | 0 | 0 | 112.7 | F60 F75 S80 P82 | F60-M78 HydrophobicContact CE2-SD 3.81Å; F60-M78 HydrophobicContact CZ-SD 3.54Å; F60-M78 VanDerWaalsContact CZ-SD 3.54Å; F75-M78 PolarHBondContact O-N 3.33Å; M78-S80 PolarHBondContact O-N 2.97Å; M78-P82 HydrophobicContact CE-CB 4.41Å; M78-P82 HydrophobicContact SD-CB 3.84Å | ||
| 79 | D | 62.4 | Low | 81.5 | Confident | 182 Ų | 182 | 66.8 Ų | 66.8 | 97% | 0.973 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -83.5 | 14.2 | 170.5 | -53 | -57.8 | 0 | 0 | 0 | 112.8 | ||
| 80 | S | 76.9 | Confident | 80.1 | Confident | 90 Ų | 90 | 71.5 Ų | 71.5 | 63% | 0.629 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -147.8 | 160.2 | -173.5 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | M78 P82 | M78-S80 PolarHBondContact O-N 2.97Å; S80-P82 WeakPolarHBondContact O-CD 3.36Å |
| 81 | I | 81.8 | Confident | 78.5 | Confident | 74 Ų | 74 | 76.5 Ų | 76.5 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 116.7 | -172.9 | -60.1 | 176.8 | 0 | 0 | 0 | 110.3 | L14 T83 | L14-I81 HydrophobicContact CB-CG2 3.95Å; I81-T83 PolarHBondContact O-N 2.85Å |
| 82 | P | 86.3 | Confident | 76.3 | Confident | 5 Ų | 5 | 82 Ų | 82 | 3% | 0.032 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 125.4 | 180 | 21.8 | -32.8 | 0 | 0 | 0 | 111.4 | T11 S12 L13 L14 F60 F75 M78 S80 | T11-P82 HydrophobicContact CG2-CG 4.38Å; S12-P82 WeakPolarHBondContact O-CD 3.48Å; L13-P82 HydrophobicContact CB-CG 3.9Å; L14-P82 PolarHBondContact N-O 3.16Å; F60-P82 HydrophobicContact CE2-CB 4.04Å; F75-P82 HydrophobicContact CB-CG 4.34Å; F75-P82 HydrophobicContact CD1-CB 3.37Å; F75-P82 HydrophobicContact CD1-CG 3.81Å; F75-P82 HydrophobicContact CD2-CB 4.21Å; F75-P82 HydrophobicContact CD2-CG 3.7Å; F75-P82 HydrophobicContact CE1-CB 3.44Å; F75-P82 VanDerWaalsContact CE1-CB 3.44Å; F75-P82 HydrophobicContact CE1-CG 3.99Å; F75-P82 HydrophobicContact CE2-CB 4.24Å; F75-P82 HydrophobicContact CE2-CG 3.86Å; F75-P82 HydrophobicContact CG-CB 3.81Å; F75-P82 HydrophobicContact CG-CG 3.69Å; F75-P82 HydrophobicContact CZ-CB 3.89Å; F75-P82 HydrophobicContact CZ-CG 4.02Å; M78-P82 HydrophobicContact CE-CB 4.41Å; M78-P82 HydrophobicContact SD-CB 3.84Å; S80-P82 WeakPolarHBondContact O-CD 3.36Å |
| 83 | T | 88.8 | Confident | 74.4 | Confident | 49 Ų | 49 | 85.2 Ų | 85.2 | 30% | 0.301 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 122.1 | 179.2 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | L14 K16 F60 I81 | L14-T83 HydrophobicContact CD2-CG2 4.41Å; K16-T83 HydrophobicContact CD-CG2 3.83Å; K16-T83 HydrophobicContact CG-CG2 3.87Å; F60-T83 WeakPolarHBondContact CD2-O 3.38Å; I81-T83 PolarHBondContact O-N 2.85Å |
| 84 | L | 89.7 | Confident | 72.4 | Confident | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 125.2 | -173.1 | -170.1 | 88.4 | 0 | 0 | 0 | 109.6 | L13 L14 V15 K16 L39 L43 L58 F60 L65 | L13-L84 HydrophobicContact CD1-CB 4.25Å; L13-L84 HydrophobicContact CD1-CD2 4.07Å; L14-L84 PolarHBondContact O-N 2.88Å; V15-L84 CarbonylContact C-O 3.59Å; V15-L84 WeakPolarHBondContact CA-O 3.46Å; V15-L84 HydrophobicContact CG2-CD2 4.36Å; K16-L84 PolarHBondContact N-O 3.06Å; L39-L84 HydrophobicContact CD2-CD2 4.15Å; L43-L84 HydrophobicContact CD1-CD2 4.18Å; L58-L84 HydrophobicContact CB-CD1 4.3Å; L58-L84 HydrophobicContact CD1-CD2 4.26Å; L58-L84 HydrophobicContact CD2-CD2 4.15Å; F60-L84 HydrophobicContact CB-CD1 4.32Å; L65-L84 HydrophobicContact CD1-CD1 3.71Å |
| 85 | H | 90.1 | Very high | 70.3 | Confident | 79 Ų | 79 | 95 Ų | 95 | 37% | 0.366 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 115 | 173.3 | -69 | -96.3 | 0 | 0 | 0 | 110.2 | K16 I59 | K16-H85 CarbonylContact O-C 3.52Å; K16-H85 WeakPolarHBondContact O-CA 3.3Å; I59-H85 HydrophobicContact CB-CB 4.16Å; I59-H85 PolarHBondContact N-O 3.14Å; I59-H85 PolarHBondContact O-N 3.38Å |
| 86 | L | 88.9 | Confident | 68.4 | Low | 3 Ų | 3 | 98.5 Ų | 98.5 | 2% | 0.016 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 108.5 | 175 | 171.8 | 60.1 | 0 | 0 | 0 | 109.4 | V15 K16 P18 Y47 P51 Q56 L58 | V15-L86 HydrophobicContact CG1-CB 3.48Å; V15-L86 VanDerWaalsContact CG1-CB 3.48Å; V15-L86 HydrophobicContact CG1-CD2 3.88Å; V15-L86 HydrophobicContact CG1-CG 4.35Å; K16-L86 PolarHBondContact O-N 2.87Å; P18-L86 VanDerWaalsContact CD-O 3.24Å; P18-L86 WeakPolarHBondContact CD-O 3.43Å; Y47-L86 HydrophobicContact CD1-CD2 3.67Å; Y47-L86 HydrophobicContact CD2-CD2 4.36Å; Y47-L86 HydrophobicContact CE1-CD2 3.82Å; Y47-L86 HydrophobicContact CE2-CD2 4.47Å; Y47-L86 HydrophobicContact CG-CD2 3.98Å; P51-L86 HydrophobicContact CG-CD2 4.37Å; Q56-L86 HydrophobicContact CB-CD1 4.25Å; Q56-L86 HydrophobicContact CG-CD1 4.07Å; L58-L86 HydrophobicContact CD2-CB 4.43Å; L58-L86 HydrophobicContact CD2-CD1 3.51Å |
| 87 | V | 87.5 | Confident | 66.9 | Low | 45 Ų | 45 | 94.2 Ų | 94.2 | 27% | 0.273 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.1 | 175.1 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | P18 R57 I59 | P18-V87 HydrophobicContact CG-CG1 4.39Å; P18-V87 HydrophobicContact CG-CG2 4.08Å; R57-V87 HydrophobicContact CB-CB 4.2Å; R57-V87 PolarHBondContact N-O 2.8Å; R57-V87 PolarHBondContact O-N 2.87Å; I59-V87 HydrophobicContact CD1-CG2 3.89Å |
| 88 | C | 81.9 | Confident | 65.9 | Low | 45 Ų | 45 | 93.2 Ų | 93.2 | 30% | 0.304 | 52% | 0.52 | S | S | . | . | trans | -120.2 | 130.5 | 175.2 | -57.1 | 0 | 0 | 0 | 0 | 108.9 | P51 M90 | P51-C88 HydrophobicContact CB-CB 4.27Å; P51-C88 WeakPolarHBondContact CB-SG 3.32Å; C88-M90 PolarHBondContact O-N 3.27Å | ||
| 89 | P | 72.1 | Confident | 64.5 | Low | 72 Ų | 72 | 98.9 Ų | 98.9 | 47% | 0.468 | 54% | 0.543 | S | S | . | . | trans | -62.9 | 125.4 | 169.3 | 28.3 | -33.3 | 0 | 0 | 0 | 108.7 | D55 R91 | D55-P89 HydrophobicContact CB-CG 3.92Å; D55-P89 WeakPolarHBondContact O-CD 3.18Å; P89-R91 PolarHBondContact O-N 2.85Å | ||
| 90 | M | 59.8 | Low | 63.1 | Low | 150 Ų | 150 | 96.4 Ų | 96.4 | 74% | 0.739 | 54% | 0.535 | S | S | * | . | trans | -72.4 | 93.1 | -177.4 | -164.2 | 173.2 | 98.4 | 0 | 0 | 110.1 | C88 N92 | C88-M90 PolarHBondContact O-N 3.27Å; M90-N92 VanDerWaalsContact C-N 3.29Å; M90-N92 WeakPolarHBondContact CE-OD1 3.45Å; M90-N92 PolarHBondContact O-N 2.88Å | ||
| 91 | R | 57 | Low | 61.2 | Low | 188 Ų | 188 | 101.7 Ų | 101.7 | 71% | 0.709 | 55% | 0.546 | S | S | * | . | trans | -62.8 | 93 | 164.5 | -89.3 | 179.3 | 150.1 | 124.4 | -1 | 108.4 | D55 P89 | D55-R91 IonicContact OD1-NH1 2.94Å; D55-R91 PolarHBondContact OD1-NH1 2.82Å; D55-R91 IonicContact OD2-CZ 3.73Å; D55-R91 IonicContact OD2-NH1 2.67Å; D55-R91 PolarHBondContact OD2-NH1 3.23Å; P89-R91 PolarHBondContact O-N 2.85Å | ||
| 92 | N | 43.8 | Very low | 58.9 | Low | 116 Ų | 116 | 106.6 Ų | 106.6 | 62% | 0.62 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 131.3 | 163.2 | -78.1 | -26.3 | 0 | 0 | 0 | 108.3 | M90 | M90-N92 VanDerWaalsContact C-N 3.29Å; M90-N92 WeakPolarHBondContact CE-OD1 3.45Å; M90-N92 PolarHBondContact O-N 2.88Å |
| 93 | P | 46 | Very low | 56.4 | Low | 113 Ų | 113 | 110.9 Ų | 110.9 | 73% | 0.734 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 132.2 | 176.7 | 24.8 | -33.2 | 0 | 0 | 0 | 108.4 | K95 | P93-K95 PolarHBondContact O-N 2.76Å; P93-K95 VanDerWaalsContact O-N 3.08Å |
| 94 | P | 41.8 | Very low | 53.6 | Low | 121 Ų | 121 | 118.1 Ų | 118.1 | 79% | 0.786 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 120 | -179.1 | 24.3 | -32.8 | 0 | 0 | 0 | 108.6 | A96 | P94-A96 PolarHBondContact O-N 2.66Š|
| 95 | K | 36.5 | Very low | 50.9 | Low | 207 Ų | 207 | 126.7 Ų | 126.7 | 90% | 0.9 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 117.8 | 170.3 | -79.4 | -174.3 | 174.8 | -178.9 | 0 | 107.2 | P93 A97 | P93-K95 PolarHBondContact O-N 2.76Å; P93-K95 VanDerWaalsContact O-N 3.08Å; K95-A97 PolarHBondContact O-N 3.32Å |
| 96 | A | 41.3 | Very low | 48.2 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 72% | 0.719 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 128 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | P94 I98 | P94-A96 PolarHBondContact O-N 2.66Å; A96-I98 PolarHBondContact O-N 3.09Å |
| 97 | A | 41.4 | Very low | 45.3 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | -67.2 | 97.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | K95 K99 | K95-A97 PolarHBondContact O-N 3.32Å; A97-K99 PolarHBondContact O-N 2.87Å | ||
| 98 | I | 43.4 | Very low | 43.5 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | -63.5 | 105.3 | 170.1 | -63.3 | 172.7 | 0 | 0 | 0 | 106.2 | A96 T100 | A96-I98 PolarHBondContact O-N 3.09Å; I98-T100 PolarHBondContact O-N 3.34Å | ||
| 99 | K | 37.2 | Very low | 40.9 | Very low | 194 Ų | 194 | 143 Ų | 143 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -66.8 | 125.1 | 179.2 | -69 | -175.2 | -178.5 | -176.2 | 0 | 109.2 | A97 | A97-K99 PolarHBondContact O-N 2.87Š| ||
| 100 | T | 33.4 | Very low | 39 | Very low | 130 Ų | 130 | 145 Ų | 145 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | trans | -52.6 | 137.7 | 165.1 | -46.4 | 0 | 0 | 0 | 0 | 110.1 | I98 | I98-T100 PolarHBondContact O-N 3.34Š| ||
| 101 | K | 36.2 | Very low | 37.6 | Very low | 200 Ų | 200 | 143.4 Ų | 143.4 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -142.8 | 125.8 | 156.5 | -157.8 | -176.1 | -176.2 | -168 | 0 | 108.5 | ||||
| 102 | E | 33.8 | Very low | 36.6 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -72 | 149 | -178.8 | -66.4 | 141.9 | 96.8 | 0 | 0 | 112.4 | ||||
| 103 | A | 33.1 | Very low | 37 | Very low | 94 Ų | 94 | 140 Ų | 140 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -161.1 | 91.5 | 152.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 104 | E | 31.2 | Very low | 37 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | 59.8 | 150.5 | 152.8 | -114 | 146.1 | 100.4 | 0 | 0 | 124 | ||||
| 105 | Q | 31.8 | Very low | 36.5 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -82 | 178 | 174.6 | -92.3 | 176.7 | -106.9 | 0 | 0 | 111.5 | ||||
| 106 | P | 34.5 | Very low | 36.4 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | cis | -139.1 | 165.8 | 17.2 | 42.3 | -23.8 | 0 | 0 | 0 | 118.7 | ||||
| 107 | H | 28.6 | Very low | 36 | Very low | 180 Ų | 180 | 141 Ų | 141 | 83% | 0.833 | 80% | 0.804 | S | S | * | * | trans | -90.4 | 174.7 | 153.6 | -74.5 | -118.1 | 0 | 0 | 0 | 109.6 | ||||
| 108 | P | 48.4 | Very low | 36.3 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | cis | -124.3 | -174 | -0.3 | 30.2 | -5.8 | 0 | 0 | 0 | 112.1 | ||||
| 109 | S | 27.9 | Very low | 35.7 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | 178.8 | 164.7 | 82 | -77.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 110 | S | 31.5 | Very low | 35.9 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -75 | 147.5 | -172 | 53.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 111 | S | 31.4 | Very low | 36.5 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | -172.3 | 140.3 | 127.8 | 59.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 112 | S | 35 | Very low | 36.4 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -10.1 | 160.8 | 163.3 | -52.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 113 | P | 52.2 | Low | 36.3 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -96.5 | -178.6 | -177.2 | 45.4 | -40.7 | 0 | 0 | 0 | 112.8 | ||||
| 114 | P | 46.5 | Very low | 36.7 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | -159 | 176.3 | 80.1 | 43.9 | -22.8 | 0 | 0 | 0 | 119 | |||||
| 115 | V | 31.5 | Very low | 36.9 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | trans | 61.7 | 104.8 | 147.5 | 171.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 116 | Q | 33.1 | Very low | 37.1 | Very low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | -175.3 | 143.4 | 106.8 | -116.1 | 148.6 | 120.5 | 0 | 0 | 116 | |||||
| 117 | T | 34.9 | Very low | 37.1 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -146.7 | 163.4 | 165.2 | 46.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 118 | P | 46 | Very low | 37.4 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | cis | -117.6 | -157.4 | 15.4 | 39.9 | -20.9 | 0 | 0 | 0 | 111.5 | ||||
| 119 | S | 31.5 | Very low | 36.7 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | cis | -155.6 | 169 | 16 | 53.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 120 | T | 41.1 | Very low | 36.9 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -57.9 | 171.2 | 172.5 | 42.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 121 | P | 46.8 | Very low | 36.9 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | cis | -144.5 | 175 | 26.2 | 43.1 | -23 | 0 | 0 | 0 | 120.2 | ||||
| 122 | E | 34.2 | Very low | 36.9 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | 41.9 | 136.6 | 152.8 | -71.9 | -158.4 | 100.3 | 0 | 0 | 123.3 | ||||
| 123 | L | 31.3 | Very low | 36.8 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | -175.8 | 135.5 | 101.5 | -98.5 | 169.3 | 0 | 0 | 0 | 116.7 | |||||
| 124 | R | 41.2 | Very low | 35.8 | Very low | 212 Ų | 212 | 141.3 Ų | 141.3 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | 47.1 | 97.3 | 150.5 | -78.7 | 177.6 | 175 | 101 | 5.8 | 121 | ||||
| 125 | Q | 35.8 | Very low | 35 | Very low | 202 Ų | 202 | 141.5 Ų | 141.5 | 94% | 0.944 | 78% | 0.783 | S | S | * | * | trans | -69.1 | 125.7 | 145.9 | -168 | -179.6 | 45.5 | 0 | 0 | 109.9 | ||||
| 126 | R | 35.2 | Very low | 35.1 | Very low | 204 Ų | 204 | 143.5 Ų | 143.5 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -105.5 | 98.7 | -176.6 | -167.9 | -175.8 | -169.4 | -172.3 | 4.8 | 112.8 | Q128 | R126-Q128 HydrophobicContact CG-CG 4.49Å; R126-Q128 VanDerWaalsContact NE-OE1 3.13Å | ||
| 127 | R | 36.1 | Very low | 35 | Very low | 226 Ų | 226 | 142.3 Ų | 142.3 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -78.7 | 128.6 | 160.9 | 172.9 | -174.7 | -81.7 | 177.4 | -5.8 | 109.1 | ||||
| 128 | Q | 34.3 | Very low | 34.9 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 66% | 0.659 | 78% | 0.779 | S | S | * | * | trans | -138.9 | 125.4 | 157.2 | -78.3 | -165.2 | -74.4 | 0 | 0 | 110.9 | R126 | R126-Q128 HydrophobicContact CG-CG 4.49Å; R126-Q128 VanDerWaalsContact NE-OE1 3.13Å | ||
| 129 | T | 34.3 | Very low | 34.1 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -101.8 | 157.7 | 165.6 | 45 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 130 | S | 31.9 | Very low | 34.3 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -157.5 | 148.9 | 173 | -69.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 131 | S | 30 | Very low | 34.2 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | cis | -149.2 | 149.1 | -0 | -174.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 132 | A | 32.2 | Very low | 34.3 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -153 | 141.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 133 | A | 32.9 | Very low | 34.1 | Very low | 83 Ų | 83 | 141.5 Ų | 141.5 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | trans | -126.8 | 152.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 134 | S | 31.7 | Very low | 34.4 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 66.9 | 147.8 | 167.1 | 71.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 135 | T | 30.2 | Very low | 34.7 | Very low | 119 Ų | 119 | 136 Ų | 136 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | cis | -154.3 | 165 | 11.8 | -23.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 136 | Q | 32.9 | Very low | 34.7 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 84.2 | 110.5 | 151.9 | -69.2 | -173.3 | 10 | 0 | 0 | 123.2 | ||||
| 137 | I | 30.6 | Very low | 34.5 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | 76.3 | 154.3 | 124.4 | -60.3 | 166.3 | 0 | 0 | 0 | 118.5 | |||||
| 138 | H | 32.1 | Very low | 34.7 | Very low | 158 Ų | 158 | 128.7 Ų | 128.7 | 73% | 0.731 | 78% | 0.777 | S | S | * | * | trans | -157.4 | 121.9 | -152.3 | -175.8 | 88.1 | 0 | 0 | 0 | 114.6 | ||||
| 139 | T | 30.7 | Very low | 34.9 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | trans | -155.7 | 125 | 165.5 | 26.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 140 | Q | 35.9 | Very low | 34.8 | Very low | 149 Ų | 149 | 127 Ų | 127 | 70% | 0.696 | 79% | 0.792 | S | S | * | * | 62 | 125.1 | 66.5 | -63.5 | -168.2 | 85.8 | 0 | 0 | 112.5 | |||||
| 141 | T | 37.8 | Very low | 35.1 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | cis | -150.4 | -164 | 9.5 | -4.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 142 | P | 48.8 | Very low | 35.9 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -113.4 | 175.1 | -146.8 | 45.1 | -36.2 | 0 | 0 | 0 | 117.6 | ||||
| 143 | G | 31.3 | Very low | 35.9 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -159.5 | 135.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 144 | A | 37.5 | Very low | 36.4 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -126.7 | 166 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 145 | P | 46.4 | Very low | 36.5 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | cis | -143.5 | -176.3 | 44.4 | 41.2 | -20.4 | 0 | 0 | 0 | 117.2 | ||||
| 146 | T | 35.7 | Very low | 36.9 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -81.7 | 156.4 | -179.7 | 51.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 147 | W | 31 | Very low | 37.1 | Very low | 247 Ų | 247 | 130.1 Ų | 130.1 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | trans | -133.4 | 155.5 | 138.4 | -91.9 | 83 | 0 | 0 | 0 | 110 | ||||
| 148 | P | 41.5 | Very low | 37.4 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | trans | -101.8 | 177.9 | -165.1 | 38.5 | -29.1 | 0 | 0 | 0 | 114 | ||||
| 149 | A | 37.2 | Very low | 37.9 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -72.7 | 151.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 150 | S | 32.5 | Very low | 38.4 | Very low | 128 Ų | 128 | 131 Ų | 131 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | -127.9 | 144.6 | 147.3 | 57.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 151 | A | 38.6 | Very low | 38.7 | Very low | 94 Ų | 94 | 128.4 Ų | 128.4 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -144.6 | 165.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 152 | P | 46.5 | Very low | 39 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | cis | -120.5 | 160.6 | 1.2 | 39.3 | -26.8 | 0 | 0 | 0 | 114.2 | ||||
| 153 | A | 33.2 | Very low | 39.1 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -117.1 | 136 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | E155 | A153-E155 VanDerWaalsContact C-N 3.33Å; A153-E155 PolarHBondContact O-N 3.1Å | ||
| 154 | A | 42.9 | Very low | 39.9 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -83.2 | 75 | -176 | 0 | 0 | 0 | 0 | 0 | 111.3 | S156 | A154-S156 PolarHBondContact O-N 3.4Š| ||
| 155 | E | 33.6 | Very low | 40.5 | Very low | 175 Ų | 175 | 128.5 Ų | 128.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -67.4 | 116.1 | 169 | -69.3 | -170.5 | 167.7 | 0 | 0 | 109.7 | A153 Q157 | A153-E155 VanDerWaalsContact C-N 3.33Å; A153-E155 PolarHBondContact O-N 3.1Å; E155-Q157 PolarHBondContact O-N 2.95Å | ||
| 156 | S | 39.3 | Very low | 40.8 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -70.1 | 90 | -178 | -65.4 | 0 | 0 | 0 | 0 | 110.1 | A154 L158 | A154-S156 PolarHBondContact O-N 3.4Å; S156-L158 PolarHBondContact O-N 2.81Å | ||
| 157 | Q | 35.1 | Very low | 41.7 | Very low | 174 Ų | 174 | 127.7 Ų | 127.7 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -58.1 | 107.7 | 173.4 | -68.3 | -173.8 | 2.6 | 0 | 0 | 109.4 | E155 T159 | E155-Q157 PolarHBondContact O-N 2.95Å; Q157-T159 PolarHBondContact O-N 3.05Å; Q157-T159 PolarHBondContact O-OG1 3.46Å | ||
| 158 | L | 38.5 | Very low | 43.2 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -67.5 | 86.3 | 169.2 | -129 | 77.1 | 0 | 0 | 0 | 107.7 | S156 Q160 | S156-L158 PolarHBondContact O-N 2.81Å; L158-Q160 PolarHBondContact O-N 3.37Å | ||
| 159 | T | 41.1 | Very low | 44.5 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | trans | -58.6 | 108.3 | 179.8 | -63.2 | 0 | 0 | 0 | 0 | 107.7 | Q157 | Q157-T159 PolarHBondContact O-N 3.05Å; Q157-T159 PolarHBondContact O-OG1 3.46Å | ||
| 160 | Q | 41.4 | Very low | 46.8 | Very low | 174 Ų | 174 | 121.6 Ų | 121.6 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | -56.8 | 130.7 | 172 | -71.4 | -165.5 | -1.9 | 0 | 0 | 107.9 | L158 A162 | L158-Q160 PolarHBondContact O-N 3.37Å; Q160-A162 PolarHBondContact O-N 3.05Å | ||
| 161 | P | 43 | Very low | 49.1 | Very low | 93 Ų | 93 | 120.9 Ų | 120.9 | 60% | 0.604 | 73% | 0.73 | S | S | * | * | trans | -62.4 | 111 | -174.5 | 24 | -33.1 | 0 | 0 | 0 | 109.3 | F163 | P161-F163 VanDerWaalsContact C-N 3.29Å; P161-F163 HydrophobicContact CG-CE2 4.05Å; P161-F163 HydrophobicContact CG-CZ 4.25Å; P161-F163 WeakPolarHBondContact O-CD2 3.43Å; P161-F163 PolarHBondContact O-N 3.02Å | ||
| 162 | A | 44.9 | Very low | 51.3 | Low | 98 Ų | 98 | 124.3 Ų | 124.3 | 81% | 0.81 | 73% | 0.73 | S | S | * | * | trans | -70.4 | 87.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q160 | Q160-A162 PolarHBondContact O-N 3.05Š| ||
| 163 | F | 49.3 | Very low | 53.1 | Low | 126 Ų | 126 | 122.2 Ų | 122.2 | 55% | 0.553 | 71% | 0.709 | S | S | * | * | trans | -56.1 | 131.5 | 175.3 | -67.8 | -81.7 | 0 | 0 | 0 | 109.8 | P161 A165 L174 | P161-F163 VanDerWaalsContact C-N 3.29Å; P161-F163 HydrophobicContact CG-CE2 4.05Å; P161-F163 HydrophobicContact CG-CZ 4.25Å; P161-F163 WeakPolarHBondContact O-CD2 3.43Å; P161-F163 PolarHBondContact O-N 3.02Å; F163-A165 PolarHBondContact O-N 3.35Å; F163-L174 HydrophobicContact CD1-CD2 3.94Å; F163-L174 HydrophobicContact CE1-CD2 3.89Å; F163-L174 HydrophobicContact CZ-CD2 4.44Å | ||
| 164 | P | 48.8 | Very low | 55.8 | Low | 104 Ų | 104 | 120.6 Ų | 120.6 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | trans | -62.9 | 138.3 | -179.4 | 25.8 | -33.9 | 0 | 0 | 0 | 110.4 | L166 | P164-L166 PolarHBondContact O-N 3.33Š| ||
| 165 | A | 50.6 | Low | 58 | Low | 103 Ų | 103 | 121 Ų | 121 | 85% | 0.851 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -70.3 | 19.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | F163 | F163-A165 PolarHBondContact O-N 3.35Š|
| 166 | L | 52.3 | Low | 60.7 | Low | 161 Ų | 161 | 120.3 Ų | 120.3 | 84% | 0.843 | 67% | 0.665 | S | S | * | * | trans | -108.9 | 38.5 | 171 | -90 | 78.2 | 0 | 0 | 0 | 111.5 | P164 L168 | P164-L166 PolarHBondContact O-N 3.33Å; L166-L168 PolarHBondContact O-N 3.42Å | ||
| 167 | S | 54.7 | Low | 63.3 | Low | 70 Ų | 70 | 118.9 Ų | 118.9 | 49% | 0.49 | 65% | 0.648 | S | S | . | * | trans | -72 | 96 | 169.1 | -66.6 | 0 | 0 | 0 | 0 | 110.1 | Y169 | S167-Y169 PolarHBondContact O-N 2.99Š| ||
| 168 | L | 61.9 | Low | 66 | Low | 183 Ų | 183 | 116.2 Ų | 116.2 | 96% | 0.958 | 64% | 0.635 | S | S | * | * | trans | -67.9 | 17.7 | 168.4 | -72.5 | 168.6 | 0 | 0 | 0 | 113.2 | L166 | L166-L168 PolarHBondContact O-N 3.42Š| ||
| 169 | Y | 68.4 | Low | 68.5 | Low | 93 Ų | 93 | 113.9 Ų | 113.9 | 37% | 0.365 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -145.3 | 136.4 | -163.5 | -146 | -121.8 | 0 | 0 | 0 | 107.6 | S167 Q173 L174 L177 | S167-Y169 PolarHBondContact O-N 2.99Å; Y169-Q173 HydrophobicContact CD1-CB 3.98Å; Y169-Q173 HydrophobicContact CD1-CG 4.04Å; Y169-Q173 HydrophobicContact CE1-CB 3.83Å; Y169-Q173 HydrophobicContact CE1-CG 3.46Å; Y169-Q173 VanDerWaalsContact CE1-CG 3.46Å; Y169-Q173 WeakPolarHBondContact CE1-O 3.2Å; Y169-Q173 HydrophobicContact CE2-CG 4.13Å; Y169-Q173 VanDerWaalsContact CZ-CD 3.43Å; Y169-Q173 VanDerWaalsContact CZ-NE2 3.32Å; Y169-Q173 PolarHBondContact OH-NE2 2.97Å; Y169-L174 HydrophobicContact CD1-CB 4.29Å; Y169-L177 HydrophobicContact CE1-CB 4.5Å; Y169-L177 HydrophobicContact CE1-CD2 4.44Å |
| 170 | S | 85.7 | Confident | 70.9 | Confident | 57 Ų | 57 | 110.2 Ų | 110.2 | 40% | 0.399 | 60% | 0.597 | S | S | . | * | trans | -69.1 | 146.3 | -177.5 | 69 | 0 | 0 | 0 | 0 | 111.1 | Q172 Q173 L174 | S170-Q172 VanDerWaalsContact C-N 3.27Å; S170-Q172 PolarHBondContact O-N 3.48Å; S170-Q173 WeakPolarHBondContact O-CB 3.4Å; S170-Q173 PolarHBondContact O-N 3.23Å; S170-Q173 WeakPolarHBondContact OG-CB 3.42Å; S170-Q173 PolarHBondContact OG-OE1 2.91Å; S170-L174 PolarHBondContact O-N 3.18Å | ||
| 171 | P | 81.8 | Confident | 73.5 | Confident | 112 Ų | 112 | 109.4 Ų | 109.4 | 73% | 0.727 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.1 | -34.6 | -173.7 | 21.8 | -33 | 0 | 0 | 0 | 112.9 | Q173 L174 L175 | P171-Q173 VanDerWaalsContact C-N 3.33Å; P171-Q173 PolarHBondContact O-N 2.85Å; P171-L174 PolarHBondContact O-N 3.43Å; P171-L175 PolarHBondContact O-N 2.94Å |
| 172 | Q | 84.9 | Confident | 76 | Confident | 166 Ų | 166 | 107.7 Ų | 107.7 | 78% | 0.776 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.8 | -36 | 174.2 | -175.9 | 175.8 | -3.7 | 0 | 0 | 112.5 | S170 L175 W176 | S170-Q172 VanDerWaalsContact C-N 3.27Å; S170-Q172 PolarHBondContact O-N 3.48Å; Q172-L175 PolarHBondContact O-N 3.49Å; Q172-W176 PolarHBondContact O-N 2.97Å |
| 173 | Q | 84.7 | Confident | 78.2 | Confident | 83 Ų | 83 | 111 Ų | 111 | 39% | 0.388 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -76.9 | -31.4 | 179.9 | -160.6 | -175.2 | -5.3 | 0 | 0 | 111.6 | Y169 S170 P171 L177 | Y169-Q173 HydrophobicContact CD1-CB 3.98Å; Y169-Q173 HydrophobicContact CD1-CG 4.04Å; Y169-Q173 HydrophobicContact CE1-CB 3.83Å; Y169-Q173 HydrophobicContact CE1-CG 3.46Å; Y169-Q173 VanDerWaalsContact CE1-CG 3.46Å; Y169-Q173 WeakPolarHBondContact CE1-O 3.2Å; Y169-Q173 HydrophobicContact CE2-CG 4.13Å; Y169-Q173 VanDerWaalsContact CZ-CD 3.43Å; Y169-Q173 VanDerWaalsContact CZ-NE2 3.32Å; Y169-Q173 PolarHBondContact OH-NE2 2.97Å; S170-Q173 WeakPolarHBondContact O-CB 3.4Å; S170-Q173 PolarHBondContact O-N 3.23Å; S170-Q173 WeakPolarHBondContact OG-CB 3.42Å; S170-Q173 PolarHBondContact OG-OE1 2.91Å; P171-Q173 VanDerWaalsContact C-N 3.33Å; P171-Q173 PolarHBondContact O-N 2.85Å; Q173-L177 WeakPolarHBondContact O-CB 3.47Å; Q173-L177 PolarHBondContact O-N 2.93Å |
| 174 | L | 88.7 | Confident | 80.2 | Confident | 56 Ų | 56 | 110.9 Ų | 110.9 | 29% | 0.293 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.1 | -43.1 | 168.1 | -177.3 | 62.9 | 0 | 0 | 0 | 111.3 | F163 Y169 S170 P171 W176 L177 Q178 | F163-L174 HydrophobicContact CD1-CD2 3.94Å; F163-L174 HydrophobicContact CE1-CD2 3.89Å; F163-L174 HydrophobicContact CZ-CD2 4.44Å; Y169-L174 HydrophobicContact CD1-CB 4.29Å; S170-L174 PolarHBondContact O-N 3.18Å; P171-L174 PolarHBondContact O-N 3.43Å; L174-W176 VanDerWaalsContact C-N 3.34Å; L174-W176 PolarHBondContact O-N 3.43Å; L174-L177 PolarHBondContact O-N 3.22Å; L174-Q178 WeakPolarHBondContact O-CB 3.32Å; L174-Q178 PolarHBondContact O-N 3.48Å |
| 175 | L | 90.2 | Very high | 82.3 | Confident | 114 Ų | 114 | 113 Ų | 113 | 60% | 0.597 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.5 | -40.4 | 175.5 | -146.7 | 77.9 | 0 | 0 | 0 | 111.9 | P171 Q172 Q178 H179 | P171-L175 PolarHBondContact O-N 2.94Å; Q172-L175 PolarHBondContact O-N 3.49Å; L175-Q178 PolarHBondContact O-N 2.98Å; L175-H179 WeakPolarHBondContact O-CB 3.48Å; L175-H179 PolarHBondContact O-N 3.05Å |
| 176 | W | 90 | Very high | 84.4 | Confident | 159 Ų | 159 | 114.9 Ų | 114.9 | 60% | 0.602 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.2 | -45.9 | 173.3 | -178 | 89.8 | 0 | 0 | 0 | 112 | Q172 L174 Q178 H179 V180 | Q172-W176 PolarHBondContact O-N 2.97Å; L174-W176 VanDerWaalsContact C-N 3.34Å; L174-W176 PolarHBondContact O-N 3.43Å; W176-Q178 VanDerWaalsContact C-N 3.32Å; W176-Q178 PolarHBondContact O-N 2.95Å; W176-H179 PolarHBondContact O-N 2.99Å; W176-V180 HydrophobicContact CD2-CG2 3.95Å; W176-V180 HydrophobicContact CE3-CG2 4.17Å; W176-V180 HydrophobicContact CH2-CG2 3.95Å; W176-V180 HydrophobicContact CZ2-CG2 3.71Å; W176-V180 HydrophobicContact CZ3-CG2 4.16Å; W176-V180 WeakPolarHBondContact O-CG2 3.37Å; W176-V180 PolarHBondContact O-N 3.27Å |
| 177 | L | 93.8 | Very high | 86.2 | Confident | 84 Ų | 84 | 112.8 Ų | 112.8 | 44% | 0.44 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 177.8 | -172.5 | 70.9 | 0 | 0 | 0 | 111.4 | Y169 Q173 L174 V180 Y181 | Y169-L177 HydrophobicContact CE1-CB 4.5Å; Y169-L177 HydrophobicContact CE1-CD2 4.44Å; Q173-L177 WeakPolarHBondContact O-CB 3.47Å; Q173-L177 PolarHBondContact O-N 2.93Å; L174-L177 PolarHBondContact O-N 3.22Å; L177-V180 PolarHBondContact O-N 3.43Å; L177-Y181 WeakPolarHBondContact O-CB 3.49Å; L177-Y181 PolarHBondContact O-N 3.02Å |
| 178 | Q | 91 | Very high | 87.9 | Confident | 118 Ų | 118 | 116.2 Ų | 116.2 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.5 | -44.7 | 175 | -175.8 | 179.7 | 47.9 | 0 | 0 | 111.8 | L174 L175 W176 Y181 A182 | L174-Q178 WeakPolarHBondContact O-CB 3.32Å; L174-Q178 PolarHBondContact O-N 3.48Å; L175-Q178 PolarHBondContact O-N 2.98Å; W176-Q178 VanDerWaalsContact C-N 3.32Å; W176-Q178 PolarHBondContact O-N 2.95Å; Q178-Y181 PolarHBondContact O-N 3.12Å; Q178-A182 WeakPolarHBondContact O-CB 3.22Å; Q178-A182 PolarHBondContact O-N 3.47Å |
| 179 | H | 91.9 | Very high | 89.4 | Confident | 121 Ų | 121 | 113.4 Ų | 113.4 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.5 | -44.3 | 178.4 | -178 | 84.1 | 0 | 0 | 0 | 112.3 | L175 W176 A182 R183 | L175-H179 WeakPolarHBondContact O-CB 3.48Å; L175-H179 PolarHBondContact O-N 3.05Å; W176-H179 PolarHBondContact O-N 2.99Å; H179-A182 PolarHBondContact O-N 3.44Å; H179-R183 WeakPolarHBondContact O-CB 3.41Å; H179-R183 PolarHBondContact O-N 3.19Å |
| 180 | V | 91.9 | Very high | 90.3 | Very high | 40 Ų | 40 | 113.1 Ų | 113.1 | 24% | 0.242 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | W176 L177 R183 Q184 | W176-V180 HydrophobicContact CD2-CG2 3.95Å; W176-V180 HydrophobicContact CE3-CG2 4.17Å; W176-V180 HydrophobicContact CH2-CG2 3.95Å; W176-V180 HydrophobicContact CZ2-CG2 3.71Å; W176-V180 HydrophobicContact CZ3-CG2 4.16Å; W176-V180 WeakPolarHBondContact O-CG2 3.37Å; W176-V180 PolarHBondContact O-N 3.27Å; L177-V180 PolarHBondContact O-N 3.43Å; V180-R183 PolarHBondContact O-N 2.93Å; V180-Q184 HydrophobicContact CG1-CG 4.49Å; V180-Q184 WeakPolarHBondContact O-CG 3.37Å; V180-Q184 PolarHBondContact O-N 3.34Å |
| 181 | Y | 95.6 | Very high | 90.5 | Very high | 157 Ų | 157 | 113.2 Ų | 113.2 | 62% | 0.616 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.3 | -45.6 | 178.1 | -176.6 | -95.6 | 0 | 0 | 0 | 112.2 | L177 Q178 R183 Q184 Y185 | L177-Y181 WeakPolarHBondContact O-CB 3.49Å; L177-Y181 PolarHBondContact O-N 3.02Å; Q178-Y181 PolarHBondContact O-N 3.12Å; Y181-R183 VanDerWaalsContact C-N 3.34Å; Y181-R183 PolarHBondContact O-N 2.95Å; Y181-Q184 PolarHBondContact O-N 3.45Å; Y181-Y185 PolarHBondContact O-N 3.02Å |
| 182 | A | 94 | Very high | 90.6 | Very high | 57 Ų | 57 | 110.8 Ų | 110.8 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q178 H179 Y185 Y186 | Q178-A182 WeakPolarHBondContact O-CB 3.22Å; Q178-A182 PolarHBondContact O-N 3.47Å; H179-A182 PolarHBondContact O-N 3.44Å; A182-Y185 PolarHBondContact O-N 2.97Å; A182-Y186 WeakPolarHBondContact O-CB 3.43Å; A182-Y186 PolarHBondContact O-N 2.71Å |
| 183 | R | 92.6 | Very high | 90.7 | Very high | 168 Ų | 168 | 107.9 Ų | 107.9 | 63% | 0.634 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.9 | -40 | 177.2 | -170 | 172.4 | -176.1 | 160.8 | 3.2 | 112.3 | H179 V180 Y181 Y186 M187 | H179-R183 WeakPolarHBondContact O-CB 3.41Å; H179-R183 PolarHBondContact O-N 3.19Å; V180-R183 PolarHBondContact O-N 2.93Å; Y181-R183 VanDerWaalsContact C-N 3.34Å; Y181-R183 PolarHBondContact O-N 2.95Å; R183-Y186 PolarHBondContact O-N 3.06Å; R183-M187 VanDerWaalsContact O-CG 3.29Å; R183-M187 WeakPolarHBondContact O-CG 3.31Å; R183-M187 PolarHBondContact O-N 3.32Å |
| 184 | Q | 91.1 | Very high | 90.6 | Very high | 122 Ų | 122 | 107 Ų | 107 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -46.9 | 174.9 | -76.3 | 175.5 | -15.6 | 0 | 0 | 111.6 | V180 Y181 Y186 M187 Q188 | V180-Q184 HydrophobicContact CG1-CG 4.49Å; V180-Q184 WeakPolarHBondContact O-CG 3.37Å; V180-Q184 PolarHBondContact O-N 3.34Å; Y181-Q184 PolarHBondContact O-N 3.45Å; Q184-Y186 PolarHBondContact O-N 3.02Å; Q184-M187 PolarHBondContact O-N 2.81Å; Q184-Q188 WeakPolarHBondContact O-CB 3.1Å; Q184-Q188 PolarHBondContact O-N 3.2Å |
| 185 | Y | 92.3 | Very high | 90 | Very high | 149 Ų | 149 | 107.4 Ų | 107.4 | 58% | 0.584 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.1 | -42.6 | 178.6 | -167.6 | -91.7 | 0 | 0 | 0 | 112.2 | Y181 A182 Q188 Y189 | Y181-Y185 PolarHBondContact O-N 3.02Å; A182-Y185 PolarHBondContact O-N 2.97Å; Y185-Q188 PolarHBondContact O-N 3.46Å; Y185-Y189 WeakPolarHBondContact O-CB 3.48Å; Y185-Y189 PolarHBondContact O-N 3.33Å |
| 186 | Y | 94.8 | Very high | 89.1 | Confident | 142 Ų | 142 | 105.2 Ų | 105.2 | 56% | 0.557 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.5 | -47.4 | 176.1 | -172.6 | -96.4 | 0 | 0 | 0 | 112.2 | A182 R183 Q184 Q188 Y189 H190 | A182-Y186 WeakPolarHBondContact O-CB 3.43Å; A182-Y186 PolarHBondContact O-N 2.71Å; R183-Y186 PolarHBondContact O-N 3.06Å; Q184-Y186 PolarHBondContact O-N 3.02Å; Y186-Q188 VanDerWaalsContact C-N 3.32Å; Y186-Q188 PolarHBondContact O-N 2.78Å; Y186-Y189 PolarHBondContact O-N 2.98Å; Y186-H190 AromaticContact CD1-CD2 3.93Å; Y186-H190 AromaticContact CE1-CD2 3.65Å; Y186-H190 AromaticContact CE1-NE2 3.75Å; Y186-H190 AromaticContact CE2-CD2 3.82Å; Y186-H190 AromaticContact CE2-NE2 3.47Å; Y186-H190 WeakPolarHBondContact CE2-NE2 3.45Å; Y186-H190 AromaticContact CZ-CD2 3.6Å; Y186-H190 AromaticContact CZ-CE1 3.93Å; Y186-H190 AromaticContact CZ-NE2 3.23Å; Y186-H190 PolarHBondContact O-CD2 3.2Å; Y186-H190 PolarHBondContact O-N 3Å; Y186-H190 PolarHBondContact OH-NE2 2.88Å |
| 187 | M | 91.1 | Very high | 87.8 | Confident | 117 Ų | 117 | 100.9 Ų | 100.9 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.2 | -40 | 176.2 | -70.5 | -60.3 | -59.9 | 0 | 0 | 112.1 | R183 Q184 H190 A191 | R183-M187 VanDerWaalsContact O-CG 3.29Å; R183-M187 WeakPolarHBondContact O-CG 3.31Å; R183-M187 PolarHBondContact O-N 3.32Å; Q184-M187 PolarHBondContact O-N 2.81Å; M187-H190 PolarHBondContact O-N 3.2Å; M187-A191 VanDerWaalsContact O-CB 3.32Å; M187-A191 WeakPolarHBondContact O-CB 3.29Å; M187-A191 PolarHBondContact O-N 2.89Å |
| 188 | Q | 89.9 | Confident | 85.9 | Confident | 143 Ų | 143 | 102.3 Ų | 102.3 | 67% | 0.668 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.5 | -38.2 | 178.3 | -168.3 | 172 | 9.8 | 0 | 0 | 112.2 | Q184 Y185 Y186 A192 | Q184-Q188 WeakPolarHBondContact O-CB 3.1Å; Q184-Q188 PolarHBondContact O-N 3.2Å; Y185-Q188 PolarHBondContact O-N 3.46Å; Y186-Q188 VanDerWaalsContact C-N 3.32Å; Y186-Q188 PolarHBondContact O-N 2.78Å; Q188-A192 WeakPolarHBondContact O-CB 3.46Å; Q188-A192 PolarHBondContact O-N 2.85Å |
| 189 | Y | 92.8 | Very high | 84.1 | Confident | 123 Ų | 123 | 102.1 Ų | 102.1 | 48% | 0.482 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.8 | -47.6 | 172.7 | 178.6 | -100.4 | 0 | 0 | 0 | 111.8 | Y185 Y186 A191 A192 M193 | Y185-Y189 WeakPolarHBondContact O-CB 3.48Å; Y185-Y189 PolarHBondContact O-N 3.33Å; Y186-Y189 PolarHBondContact O-N 2.98Å; Y189-A191 PolarHBondContact O-N 3.41Å; Y189-A192 PolarHBondContact O-N 3.18Å; Y189-M193 HydrophobicContact CD1-CG 4.26Å; Y189-M193 HydrophobicContact CE1-CG 3.86Å; Y189-M193 HydrophobicContact CE2-CG 4.25Å; Y189-M193 HydrophobicContact CE2-SD 4.46Å; Y189-M193 WeakPolarHBondContact O-CG 3.45Å; Y189-M193 PolarHBondContact O-N 3.41Å |
| 190 | H | 88.6 | Confident | 82.1 | Confident | 87 Ų | 87 | 101.3 Ų | 101.3 | 40% | 0.403 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65 | -36.7 | 177.4 | -85 | -100.4 | 0 | 0 | 0 | 112.7 | Y186 M187 M193 A194 | Y186-H190 AromaticContact CD1-CD2 3.93Å; Y186-H190 AromaticContact CE1-CD2 3.65Å; Y186-H190 AromaticContact CE1-NE2 3.75Å; Y186-H190 AromaticContact CE2-CD2 3.82Å; Y186-H190 AromaticContact CE2-NE2 3.47Å; Y186-H190 WeakPolarHBondContact CE2-NE2 3.45Å; Y186-H190 AromaticContact CZ-CD2 3.6Å; Y186-H190 AromaticContact CZ-CE1 3.93Å; Y186-H190 AromaticContact CZ-NE2 3.23Å; Y186-H190 PolarHBondContact O-CD2 3.2Å; Y186-H190 PolarHBondContact O-N 3Å; Y186-H190 PolarHBondContact OH-NE2 2.88Å; M187-H190 PolarHBondContact O-N 3.2Å; H190-M193 PolarHBondContact O-N 2.99Å; H190-A194 WeakPolarHBondContact O-CB 3.34Å; H190-A194 PolarHBondContact O-N 2.92Å |
| 191 | A | 88.8 | Confident | 79.8 | Confident | 60 Ų | 60 | 105.5 Ų | 105.5 | 50% | 0.496 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.7 | -40.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M187 Y189 A194 A195 | M187-A191 VanDerWaalsContact O-CB 3.32Å; M187-A191 WeakPolarHBondContact O-CB 3.29Å; M187-A191 PolarHBondContact O-N 2.89Å; Y189-A191 PolarHBondContact O-N 3.41Å; A191-A194 PolarHBondContact O-N 3.08Å; A191-A195 WeakPolarHBondContact O-CB 3.5Å; A191-A195 PolarHBondContact O-N 3.01Å |
| 192 | A | 84.9 | Confident | 77.6 | Confident | 60 Ų | 60 | 102 Ų | 102 | 50% | 0.496 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.2 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q188 Y189 A195 A196 | Q188-A192 WeakPolarHBondContact O-CB 3.46Å; Q188-A192 PolarHBondContact O-N 2.85Å; Y189-A192 PolarHBondContact O-N 3.18Å; A192-A195 PolarHBondContact O-N 3.49Å; A192-A196 WeakPolarHBondContact O-CB 3.3Å; A192-A196 PolarHBondContact O-N 3.48Å |
| 193 | M | 86.8 | Confident | 75.1 | Confident | 106 Ų | 106 | 105.3 Ų | 105.3 | 52% | 0.522 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.7 | -41.3 | 175.1 | -71.2 | -63.4 | -64.7 | 0 | 0 | 112.2 | Y189 H190 A196 G197 | Y189-M193 HydrophobicContact CD1-CG 4.26Å; Y189-M193 HydrophobicContact CE1-CG 3.86Å; Y189-M193 HydrophobicContact CE2-CG 4.25Å; Y189-M193 HydrophobicContact CE2-SD 4.46Å; Y189-M193 WeakPolarHBondContact O-CG 3.45Å; Y189-M193 PolarHBondContact O-N 3.41Å; H190-M193 PolarHBondContact O-N 2.99Å; M193-A196 PolarHBondContact O-N 2.98Å; M193-G197 PolarHBondContact O-N 3.33Å |
| 194 | A | 82.4 | Confident | 72.5 | Confident | 65 Ų | 65 | 103.4 Ų | 103.4 | 54% | 0.537 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.6 | -40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H190 A191 G197 | H190-A194 WeakPolarHBondContact O-CB 3.34Å; H190-A194 PolarHBondContact O-N 2.92Å; A191-A194 PolarHBondContact O-N 3.08Å; A194-G197 PolarHBondContact O-N 3.4Å |
| 195 | A | 75.3 | Confident | 69.8 | Low | 64 Ų | 64 | 102.3 Ų | 102.3 | 53% | 0.529 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -68.4 | -33.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | A191 A192 G197 T198 | A191-A195 WeakPolarHBondContact O-CB 3.5Å; A191-A195 PolarHBondContact O-N 3.01Å; A192-A195 PolarHBondContact O-N 3.49Å; A195-G197 VanDerWaalsContact C-N 3.29Å; A195-T198 PolarHBondContact O-OG1 3Å; A195-T198 VanDerWaalsContact O-OG1 3.05Å |
| 196 | A | 72 | Confident | 67.3 | Low | 68 Ų | 68 | 101 Ų | 101 | 56% | 0.562 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.9 | -31.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A192 M193 T198 | A192-A196 WeakPolarHBondContact O-CB 3.3Å; A192-A196 PolarHBondContact O-N 3.48Å; M193-A196 PolarHBondContact O-N 2.98Å; A196-T198 VanDerWaalsContact C-N 3.28Å; A196-T198 PolarHBondContact O-N 3.42Å |
| 197 | G | 61.5 | Low | 64.7 | Low | 67 Ų | 67 | 102.2 Ų | 102.2 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -8.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116 | M193 A194 A195 | M193-G197 PolarHBondContact O-N 3.33Å; A194-G197 PolarHBondContact O-N 3.4Å; A195-G197 VanDerWaalsContact C-N 3.29Å |
| 198 | T | 54.1 | Low | 62.5 | Low | 115 Ų | 115 | 99.9 Ų | 99.9 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 5.2 | -179.3 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | A195 A196 P200 | A195-T198 PolarHBondContact O-OG1 3Å; A195-T198 VanDerWaalsContact O-OG1 3.05Å; A196-T198 VanDerWaalsContact C-N 3.28Å; A196-T198 PolarHBondContact O-N 3.42Å; T198-P200 WeakPolarHBondContact O-CD 3.37Å |
| 199 | V | 53.4 | Low | 60 | Low | 114 Ų | 114 | 102.3 Ų | 102.3 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -82.2 | 117.5 | 173.2 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 200 | P | 50.3 | Low | 57.3 | Low | 104 Ų | 104 | 107.1 Ų | 107.1 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | trans | -69.5 | 146.3 | 176.9 | 29.3 | -34.7 | 0 | 0 | 0 | 111.1 | T198 A202 | T198-P200 WeakPolarHBondContact O-CD 3.37Å; P200-A202 PolarHBondContact O-N 3.3Å | ||
| 201 | P | 44 | Very low | 55.2 | Low | 128 Ų | 128 | 108.4 Ų | 108.4 | 83% | 0.831 | 70% | 0.699 | S | S | * | * | trans | -69.6 | 105.7 | -179.9 | 28.2 | -34.2 | 0 | 0 | 0 | 111 | ||||
| 202 | A | 48.9 | Very low | 53.2 | Low | 83 Ų | 83 | 111.2 Ų | 111.2 | 69% | 0.686 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 141.3 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | P200 | P200-A202 PolarHBondContact O-N 3.3Š|
| 203 | P | 40.7 | Very low | 51.2 | Low | 127 Ų | 127 | 114.7 Ų | 114.7 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 138.2 | -175 | 25.3 | -34 | 0 | 0 | 0 | 112 | A205 | P203-A205 PolarHBondContact O-N 2.94Š|
| 204 | V | 39.4 | Very low | 49.1 | Very low | 128 Ų | 128 | 115.2 Ų | 115.2 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -68 | 117 | -170.4 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | T206 | V204-T206 WeakPolarHBondContact CG1-OG1 3.38Š|
| 205 | A | 33.8 | Very low | 46.9 | Very low | 98 Ų | 98 | 116 Ų | 116 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | -101.3 | 98.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | P203 I207 | P203-A205 PolarHBondContact O-N 2.94Å; A205-I207 PolarHBondContact O-N 3.48Å | ||
| 206 | T | 39.6 | Very low | 45.1 | Very low | 122 Ų | 122 | 122 Ų | 122 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -72.7 | 110.3 | -178 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | V204 | V204-T206 WeakPolarHBondContact CG1-OG1 3.38Š| ||
| 207 | I | 39.8 | Very low | 43.3 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | trans | -148.8 | 130 | 142.9 | -94.2 | 139 | 0 | 0 | 0 | 106.1 | A205 | A205-I207 PolarHBondContact O-N 3.48Š| ||
| 208 | G | 44.7 | Very low | 41.9 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -93.9 | 147.5 | -160.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 209 | Q | 38.8 | Very low | 41 | Very low | 193 Ų | 193 | 130.1 Ų | 130.1 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -148.8 | 146.4 | 157.7 | -101.8 | 147.9 | 6.1 | 0 | 0 | 109.2 | ||||
| 210 | Y | 35 | Very low | 40 | Very low | 224 Ų | 224 | 130.8 Ų | 130.8 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 137.2 | -179.4 | -78.9 | -104.9 | 0 | 0 | 0 | 110.7 | P212 | Y210-P212 WeakPolarHBondContact O-CD 3.39Š|
| 211 | P | 45.8 | Very low | 39.2 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 123.2 | 168.3 | 28.9 | -32.3 | 0 | 0 | 0 | 109.8 | ||
| 212 | P | 46.2 | Very low | 38.7 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74 | 135.3 | 174.6 | 30.2 | -33.2 | 0 | 0 | 0 | 110.4 | Y210 P214 | Y210-P212 WeakPolarHBondContact O-CD 3.39Å; P212-P214 WeakPolarHBondContact O-CD 3.38Å |
| 213 | V | 42.6 | Very low | 37.8 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 124.4 | 174.9 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | A215 | V213-A215 PolarHBondContact O-N 3.1Å; V213-A215 VanDerWaalsContact O-N 3.1Å |
| 214 | P | 43.8 | Very low | 37.6 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -64.7 | 111.3 | 174.1 | -22.3 | 34.8 | 0 | 0 | 0 | 111.1 | P212 | P212-P214 WeakPolarHBondContact O-CD 3.38Š| ||
| 215 | A | 34.5 | Very low | 37.2 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | trans | -66.6 | 140.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V213 Q217 | V213-A215 PolarHBondContact O-N 3.1Å; V213-A215 VanDerWaalsContact O-N 3.1Å; A215-Q217 PolarHBondContact O-N 3Å; A215-Q217 VanDerWaalsContact O-N 3.12Å | ||
| 216 | H | 37.8 | Very low | 37 | Very low | 189 Ų | 189 | 136 Ų | 136 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | trans | -62.9 | 112.9 | 172.2 | -76.4 | 32.8 | 0 | 0 | 0 | 110.2 | ||||
| 217 | Q | 33.8 | Very low | 36.6 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -104.1 | 101.7 | 168 | -68 | -168.2 | -3.3 | 0 | 0 | 109.5 | A215 P219 | A215-Q217 PolarHBondContact O-N 3Å; A215-Q217 VanDerWaalsContact O-N 3.12Å; Q217-P219 WeakPolarHBondContact O-CD 3.45Å | ||
| 218 | V | 32.5 | Very low | 36.1 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | trans | -80.2 | 120.4 | 169.5 | 179.4 | 0 | 0 | 0 | 0 | 108 | V220 | V218-V220 PolarHBondContact O-N 3.16Š| ||
| 219 | P | 35.8 | Very low | 35.8 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -69 | 103.4 | 177.7 | -20.3 | 34.1 | 0 | 0 | 0 | 111.3 | Q217 | Q217-P219 WeakPolarHBondContact O-CD 3.45Š| ||
| 220 | V | 32.6 | Very low | 35.7 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 124.5 | 168.7 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | V218 A222 | V218-V220 PolarHBondContact O-N 3.16Å; V220-A222 PolarHBondContact O-N 3.19Å |
| 221 | P | 33.5 | Very low | 35.5 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 124.5 | 178.6 | 28.2 | -33.5 | 0 | 0 | 0 | 111.1 | ||
| 222 | A | 32.9 | Very low | 34.8 | Very low | 92 Ų | 92 | 135.3 Ų | 135.3 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 148.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V220 | V220-A222 PolarHBondContact O-N 3.19Š|
| 223 | P | 30.4 | Very low | 34.1 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 155 | -172.9 | 32.3 | -36.3 | 0 | 0 | 0 | 114.3 | ||
| 224 | L | 37.3 | Very low | 33.8 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 137.9 | 174.7 | -71.6 | 157.6 | 0 | 0 | 0 | 112.1 | ||
| 225 | A | 30.4 | Very low | 33 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | -148.6 | 89 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 226 | N | 29.8 | Very low | 32.7 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | trans | 59.7 | 178.5 | 150.9 | -68.6 | -31.4 | 0 | 0 | 0 | 120.7 | ||||
| 227 | Q | 30.5 | Very low | 32.3 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -130.9 | 171.3 | -152.5 | -60 | 176.8 | -13.4 | 0 | 0 | 113.8 | ||||
| 228 | N | 28.8 | Very low | 32 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | 75.2 | 154.9 | 161.4 | -76.8 | 16.6 | 0 | 0 | 0 | 119.2 | ||||
| 229 | P | 39.6 | Very low | 32.3 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | cis | -134.3 | -173.3 | -28.8 | 36.6 | -17.7 | 0 | 0 | 0 | 114.6 | ||||
| 230 | I | 37 | Very low | 32.1 | Very low | 162 Ų | 162 | 137.4 Ų | 137.4 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -62.7 | 143.5 | -176.8 | -61.9 | 155 | 0 | 0 | 0 | 114.2 | ||||
| 231 | D | 30.2 | Very low | 32.1 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | -163.1 | 158.1 | 130.9 | -136.2 | -26.8 | 0 | 0 | 0 | 115.9 | ||||
| 232 | N | 31.5 | Very low | 32.1 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | 69 | 127.9 | 165.7 | -56.4 | -64.3 | 0 | 0 | 0 | 121.6 | ||||
| 233 | L | 30.5 | Very low | 32.2 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -104.3 | 174.6 | 162.1 | -72.8 | 80.2 | 0 | 0 | 0 | 110.3 | V235 | L233-V235 HydrophobicContact CD2-CG2 3.74Š| ||
| 234 | P | 36.5 | Very low | 32.2 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | -130.8 | 162.1 | 93.3 | 16 | 4.1 | 0 | 0 | 0 | 114.6 | |||||
| 235 | V | 28 | Very low | 32.1 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 62% | 0.618 | 79% | 0.787 | S | S | * | * | trans | -90 | 144.4 | -175.1 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | L233 Q237 | L233-V235 HydrophobicContact CD2-CG2 3.74Å; V235-Q237 HydrophobicContact CG1-CG 3.69Å | ||
| 236 | N | 27 | Very low | 32.6 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -130.9 | 149 | 150.7 | -160.2 | -12.6 | 0 | 0 | 0 | 109.1 | ||||
| 237 | Q | 30.1 | Very low | 32.8 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -121.9 | 124.2 | -163.8 | -57.1 | 176.2 | 2.4 | 0 | 0 | 112 | V235 | V235-Q237 HydrophobicContact CG1-CG 3.69Š| ||
| 238 | N | 27.2 | Very low | 33.4 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -160.5 | 141 | 131 | -150.6 | 35.1 | 0 | 0 | 0 | 110.3 | ||||
| 239 | P | 37.9 | Very low | 34.2 | Very low | 106 Ų | 106 | 135 Ų | 135 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | trans | -103.7 | 136.5 | -177.3 | 36.3 | -29.3 | 0 | 0 | 0 | 113.4 | ||||
| 240 | V | 31.4 | Very low | 34.7 | Very low | 133 Ų | 133 | 138 Ų | 138 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -133.8 | 134.7 | 149.1 | -179.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 241 | Q | 34.6 | Very low | 35.3 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -92 | 131.8 | 174.6 | -64.4 | 173.4 | -29.2 | 0 | 0 | 108.9 | ||||
| 242 | D | 31.7 | Very low | 36.2 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | -145.5 | 85 | 156.6 | -106.4 | -45.1 | 0 | 0 | 0 | 110.3 | A244 | D242-A244 PolarHBondContact O-N 2.95Å; D242-A244 VanDerWaalsContact O-N 3.1Å | ||
| 243 | A | 35.3 | Very low | 37 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | -83.5 | 63.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 244 | A | 30.7 | Very low | 38 | Very low | 80 Ų | 80 | 135 Ų | 135 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | trans | -84.8 | 117.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D242 I246 | D242-A244 PolarHBondContact O-N 2.95Å; D242-A244 VanDerWaalsContact O-N 3.1Å; A244-I246 PolarHBondContact O-N 3.24Å | ||
| 245 | F | 34.9 | Very low | 38.7 | Very low | 197 Ų | 197 | 134 Ų | 134 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | -64.2 | 124.6 | 179.7 | -68.4 | -105.6 | 0 | 0 | 0 | 110.8 | N247 | F245-N247 PolarHBondContact O-N 3.08Š| ||
| 246 | I | 40.9 | Very low | 39.5 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | trans | -65.7 | 110.3 | 168.9 | -62.4 | 179.1 | 0 | 0 | 0 | 107.8 | A244 | A244-I246 PolarHBondContact O-N 3.24Š| ||
| 247 | N | 35.4 | Very low | 40.7 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | trans | -81.9 | 122.2 | -170.7 | -160 | -36.5 | 0 | 0 | 0 | 110.3 | F245 G249 | F245-N247 PolarHBondContact O-N 3.08Å; N247-G249 PolarHBondContact O-N 3.34Å | ||
| 248 | P | 43 | Very low | 41.8 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 35.1 | -177.3 | 34.5 | -37.5 | 0 | 0 | 0 | 113.4 | ||
| 249 | G | 44 | Very low | 42.9 | Very low | 36 Ų | 36 | 134.6 Ų | 134.6 | 37% | 0.371 | 75% | 0.748 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112 | -17.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | N247 Q253 | N247-G249 PolarHBondContact O-N 3.34Å; G249-Q253 PolarHBondContact O-NE2 2.93Å |
| 250 | E | 51.3 | Low | 43.6 | Very low | 181 Ų | 181 | 137.2 Ų | 137.2 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -123.2 | 28.2 | -166.7 | -64.6 | -170.4 | 114.2 | 0 | 0 | 114.5 | ||||
| 251 | A | 48.8 | Very low | 44.7 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -104 | 107.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 252 | N | 50.2 | Low | 45.2 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 58% | 0.578 | 73% | 0.728 | S | S | * | * | trans | 71 | 46.4 | 166.8 | -108.5 | -38.9 | 0 | 0 | 0 | 119 | N254 M255 | N252-N254 PolarHBondContact O-N 3.4Å; N252-M255 HydrophobicContact CB-CB 4.42Å; N252-M255 WeakPolarHBondContact O-CB 3.44Å; N252-M255 PolarHBondContact O-N 3.41Å | ||
| 253 | Q | 47.6 | Very low | 46.3 | Very low | 160 Ų | 160 | 126.4 Ų | 126.4 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -15.7 | 162.7 | -63.8 | -170.1 | 23.9 | 0 | 0 | 113.5 | G249 M255 | G249-Q253 PolarHBondContact O-NE2 2.93Å; Q253-M255 PolarHBondContact O-N 3.1Å |
| 254 | N | 51.8 | Low | 47 | Very low | 156 Ų | 156 | 127.3 Ų | 127.3 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -10.1 | 171.5 | -70.4 | -27.9 | 0 | 0 | 0 | 113.7 | N252 R256 | N252-N254 PolarHBondContact O-N 3.4Å; N254-R256 PolarHBondContact O-N 3.4Å |
| 255 | M | 49.9 | Very low | 47.8 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 55% | 0.547 | 72% | 0.721 | S | S | . | * | trans | -79 | 62.3 | 171.3 | -161.2 | 168.7 | -70.1 | 0 | 0 | 110.5 | N252 Q253 M257 | N252-M255 HydrophobicContact CB-CB 4.42Å; N252-M255 WeakPolarHBondContact O-CB 3.44Å; N252-M255 PolarHBondContact O-N 3.41Å; Q253-M255 PolarHBondContact O-N 3.1Å; M255-M257 VanDerWaalsContact C-N 3.25Å; M255-M257 HydrophobicContact CG-CE 3.75Å; M255-M257 HydrophobicContact CG-SD 3.94Å; M255-M257 PolarHBondContact O-N 2.99Å; M255-M257 HydrophobicContact SD-CE 3.59Å; M255-M257 VanDerWaalsContact SD-CE 3.59Å | ||
| 256 | R | 46.3 | Very low | 48.4 | Very low | 237 Ų | 237 | 127.2 Ų | 127.2 | 89% | 0.894 | 71% | 0.714 | S | S | * | * | trans | -71.2 | 83.4 | 170.8 | -172.5 | 177.8 | -173.9 | 130.9 | -0.9 | 108.4 | N254 N258 | N254-R256 PolarHBondContact O-N 3.4Å; R256-N258 PolarHBondContact O-N 3.48Å; R256-N258 VanDerWaalsContact O-N 3.08Å | ||
| 257 | M | 51.4 | Low | 49 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | trans | -48.9 | 119.9 | 174.9 | -79.3 | 83.4 | 179.4 | 0 | 0 | 109.4 | M255 A259 | M255-M257 VanDerWaalsContact C-N 3.25Å; M255-M257 HydrophobicContact CG-CE 3.75Å; M255-M257 HydrophobicContact CG-SD 3.94Å; M255-M257 PolarHBondContact O-N 2.99Å; M255-M257 HydrophobicContact SD-CE 3.59Å; M255-M257 VanDerWaalsContact SD-CE 3.59Å; M257-A259 PolarHBondContact O-N 3.11Å | ||
| 258 | N | 53.5 | Low | 49.8 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 65% | 0.652 | 71% | 0.707 | S | S | * | * | trans | -75.1 | 78.4 | 166.8 | -171 | 26.5 | 0 | 0 | 0 | 109.3 | R256 Q260 | R256-N258 PolarHBondContact O-N 3.48Å; R256-N258 VanDerWaalsContact O-N 3.08Å; N258-Q260 VanDerWaalsContact CG-O 3.24Å; N258-Q260 PolarHBondContact ND2-O 3.3Å; N258-Q260 PolarHBondContact O-N 2.87Å; N258-Q260 PolarHBondContact OD1-O 2.78Å | ||
| 259 | A | 51 | Low | 50.3 | Low | 103 Ų | 103 | 126.3 Ų | 126.3 | 85% | 0.851 | 70% | 0.695 | S | S | * | * | trans | -71.2 | -0.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M257 | M257-A259 PolarHBondContact O-N 3.11Š| ||
| 260 | Q | 52.5 | Low | 50.6 | Low | 161 Ų | 161 | 131 Ų | 131 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -119.5 | 102.4 | 175 | -176.3 | 164.3 | 3.9 | 0 | 0 | 108.8 | N258 G262 | N258-Q260 VanDerWaalsContact CG-O 3.24Å; N258-Q260 PolarHBondContact ND2-O 3.3Å; N258-Q260 PolarHBondContact O-N 2.87Å; N258-Q260 PolarHBondContact OD1-O 2.78Å; Q260-G262 PolarHBondContact O-N 3.37Å |
| 261 | G | 54.1 | Low | 50.8 | Low | 79 Ų | 79 | 127.6 Ų | 127.6 | 81% | 0.814 | 70% | 0.702 | S | S | * | * | trans | -51.8 | 107.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 262 | G | 44.6 | Very low | 51.4 | Low | 36 Ų | 36 | 131.1 Ų | 131.1 | 37% | 0.371 | 70% | 0.702 | S | S | . | * | trans | -76.8 | 153.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q260 V264 | Q260-G262 PolarHBondContact O-N 3.37Å; G262-V264 PolarHBondContact O-N 3.01Å | ||
| 263 | P | 54.6 | Low | 52 | Low | 125 Ų | 125 | 134.6 Ų | 134.6 | 81% | 0.812 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -63.6 | 108.2 | -172 | 26 | -34.4 | 0 | 0 | 0 | 110.9 | ||
| 264 | V | 50.7 | Low | 53.4 | Low | 116 Ų | 116 | 130.6 Ų | 130.6 | 70% | 0.703 | 69% | 0.691 | S | S | * | * | trans | -137.8 | 113 | 172.4 | 176.3 | 0 | 0 | 0 | 0 | 105.8 | G262 | G262-V264 PolarHBondContact O-N 3.01Š| ||
| 265 | M | 47.1 | Very low | 55 | Low | 124 Ų | 124 | 131.9 Ų | 131.9 | 61% | 0.611 | 69% | 0.685 | S | S | * | * | trans | 66.5 | 69.4 | 179 | -60.7 | 145.7 | 179.1 | 0 | 0 | 114.8 | ||||
| 266 | E | 48.5 | Very low | 56.4 | Low | 151 Ų | 151 | 131.1 Ų | 131.1 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -73.4 | -26.6 | 145.2 | -70.2 | -179.2 | 122.5 | 0 | 0 | 109.7 | E268 E269 | E266-E268 PolarHBondContact O-N 3.07Å; E266-E269 PolarHBondContact O-N 3.12Å |
| 267 | D | 54 | Low | 58 | Low | 136 Ų | 136 | 124.6 Ų | 124.6 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -0.6 | -173.9 | -42.4 | -93.2 | 0 | 0 | 0 | 116.4 | ||
| 268 | E | 51.9 | Low | 59.5 | Low | 142 Ų | 142 | 127.2 Ų | 127.2 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | -9.7 | 171.7 | -68.1 | -167.1 | 164.2 | 0 | 0 | 113.4 | E266 | E266-E268 PolarHBondContact O-N 3.07Š|
| 269 | E | 53.6 | Low | 61.1 | Low | 133 Ų | 133 | 125.3 Ų | 125.3 | 62% | 0.621 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -16.5 | 167.5 | -77.1 | -158.1 | -151.5 | 0 | 0 | 113 | E266 V271 R273 | E266-E269 PolarHBondContact O-N 3.12Å; E269-V271 PolarHBondContact O-N 3.3Å; E269-R273 IonicContact OE2-CZ 4Å; E269-R273 IonicContact OE2-NH2 2.77Å; E269-R273 PolarHBondContact OE2-NH2 2.8Å |
| 270 | D | 49.8 | Very low | 62.8 | Low | 133 Ų | 133 | 126.8 Ų | 126.8 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | trans | -83 | 10.8 | 171.7 | -86 | -15.7 | 0 | 0 | 0 | 113.3 | E272 | D270-E272 PolarHBondContact O-N 3.5Š| ||
| 271 | V | 55.7 | Low | 64.3 | Low | 110 Ų | 110 | 122.5 Ų | 122.5 | 67% | 0.667 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -71.1 | 79 | 164.1 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | E269 | E269-V271 PolarHBondContact O-N 3.3Š|
| 272 | E | 61.4 | Low | 65.7 | Low | 172 Ų | 172 | 120.7 Ų | 120.7 | 80% | 0.804 | 61% | 0.607 | S | S | * | * | trans | 40.5 | 77.9 | 165.8 | -62.1 | -173.8 | 131.2 | 0 | 0 | 114.3 | D270 D274 | D270-E272 PolarHBondContact O-N 3.5Å; E272-D274 PolarHBondContact O-N 3.31Å | ||
| 273 | R | 63.1 | Low | 67.8 | Low | 181 Ų | 181 | 121.6 Ų | 121.6 | 68% | 0.683 | 61% | 0.61 | S | S | * | * | trans | -60.3 | 91.9 | 159.5 | -73.6 | -176 | -177.1 | 146.3 | 2.3 | 108.6 | E269 | E269-R273 IonicContact OE2-CZ 4Å; E269-R273 IonicContact OE2-NH2 2.77Å; E269-R273 PolarHBondContact OE2-NH2 2.8Å | ||
| 274 | D | 76.3 | Confident | 69.4 | Low | 76 Ų | 76 | 123.7 Ų | 123.7 | 41% | 0.406 | 60% | 0.602 | S | S | . | * | trans | -54.2 | 140.6 | -162.8 | -136.3 | -28 | 0 | 0 | 0 | 111.4 | E272 L276 D277 W278 | E272-D274 PolarHBondContact O-N 3.31Å; D274-L276 HydrophobicContact CB-CB 4.39Å; D274-L276 PolarHBondContact O-N 2.87Å; D274-L276 VanDerWaalsContact O-N 3.1Å; D274-D277 HydrophobicContact CB-CB 4.06Å; D274-D277 WeakPolarHBondContact O-CA 3.24Å; D274-D277 WeakPolarHBondContact O-CB 3.29Å; D274-D277 PolarHBondContact O-N 3.27Å; D274-W278 PolarHBondContact O-N 2.9Å | ||
| 275 | W | 84.4 | Confident | 71.1 | Confident | 183 Ų | 183 | 123 Ų | 123 | 69% | 0.693 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -57.6 | -28.3 | 173.3 | 66.7 | -81.7 | 0 | 0 | 0 | 110.6 | L279 | W275-L279 HydrophobicContact CE3-CD2 4.46Å; W275-L279 HydrophobicContact CZ3-CD2 3.96Å; W275-L279 VanDerWaalsContact O-CB 3.25Å; W275-L279 WeakPolarHBondContact O-CB 3.44Å; W275-L279 PolarHBondContact O-N 2.95Å |
| 276 | L | 79.6 | Confident | 72.8 | Confident | 95 Ų | 95 | 118.5 Ų | 118.5 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.5 | -36 | 172.9 | -172.6 | 64.6 | 0 | 0 | 0 | 112.6 | D274 L279 Y280 | D274-L276 HydrophobicContact CB-CB 4.39Å; D274-L276 PolarHBondContact O-N 2.87Å; D274-L276 VanDerWaalsContact O-N 3.1Å; L276-L279 PolarHBondContact O-N 3.04Å; L276-Y280 WeakPolarHBondContact O-CB 3.46Å; L276-Y280 PolarHBondContact O-N 2.89Å |
| 277 | D | 81 | Confident | 74.6 | Confident | 99 Ų | 99 | 115.6 Ų | 115.6 | 53% | 0.529 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -74.7 | -36 | 176.8 | -109.7 | 6.7 | 0 | 0 | 0 | 111.7 | D274 S281 | D274-D277 HydrophobicContact CB-CB 4.06Å; D274-D277 WeakPolarHBondContact O-CA 3.24Å; D274-D277 WeakPolarHBondContact O-CB 3.29Å; D274-D277 PolarHBondContact O-N 3.27Å; D277-S281 VanDerWaalsContact O-CB 3.23Å; D277-S281 WeakPolarHBondContact O-CB 3.4Å; D277-S281 PolarHBondContact O-N 3.22Å; D277-S281 PolarHBondContact O-OG 2.98Å |
| 278 | W | 82.6 | Confident | 75.9 | Confident | 194 Ų | 194 | 113.5 Ų | 113.5 | 74% | 0.735 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.2 | -46.8 | 167 | -176.9 | 85.7 | 0 | 0 | 0 | 111.1 | D274 S281 A282 | D274-W278 PolarHBondContact O-N 2.9Å; W278-S281 PolarHBondContact O-N 2.92Å; W278-A282 VanDerWaalsContact O-CB 3.28Å; W278-A282 WeakPolarHBondContact O-CB 3.32Å; W278-A282 PolarHBondContact O-N 2.9Å |
| 279 | L | 87.4 | Confident | 77.4 | Confident | 83 Ų | 83 | 109.1 Ų | 109.1 | 44% | 0.435 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 177.4 | -179.8 | 61 | 0 | 0 | 0 | 112.2 | W275 L276 A282 A283 | W275-L279 HydrophobicContact CE3-CD2 4.46Å; W275-L279 HydrophobicContact CZ3-CD2 3.96Å; W275-L279 VanDerWaalsContact O-CB 3.25Å; W275-L279 WeakPolarHBondContact O-CB 3.44Å; W275-L279 PolarHBondContact O-N 2.95Å; L276-L279 PolarHBondContact O-N 3.04Å; L279-A282 PolarHBondContact O-N 2.94Å; L279-A283 WeakPolarHBondContact O-CB 3.22Å; L279-A283 PolarHBondContact O-N 3.02Å |
| 280 | Y | 86.6 | Confident | 78.6 | Confident | 133 Ų | 133 | 108 Ų | 108 | 52% | 0.522 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 176.4 | 172.7 | -103.2 | 0 | 0 | 0 | 111.1 | L276 A283 R284 | L276-Y280 WeakPolarHBondContact O-CB 3.46Å; L276-Y280 PolarHBondContact O-N 2.89Å; Y280-A283 PolarHBondContact O-N 3.22Å; Y280-R284 WeakPolarHBondContact O-CB 3.32Å; Y280-R284 PolarHBondContact O-N 3.02Å |
| 281 | S | 83.3 | Confident | 80.1 | Confident | 71 Ų | 71 | 106.5 Ų | 106.5 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 174.7 | -63 | 0 | 0 | 0 | 0 | 111.8 | D277 W278 R284 L285 | D277-S281 VanDerWaalsContact O-CB 3.23Å; D277-S281 WeakPolarHBondContact O-CB 3.4Å; D277-S281 PolarHBondContact O-N 3.22Å; D277-S281 PolarHBondContact O-OG 2.98Å; W278-S281 PolarHBondContact O-N 2.92Å; S281-R284 PolarHBondContact O-N 3.48Å; S281-L285 VanDerWaalsContact O-CB 3.28Å; S281-L285 WeakPolarHBondContact O-CB 3.35Å; S281-L285 PolarHBondContact O-N 3.45Å |
| 282 | A | 84.4 | Confident | 81.2 | Confident | 42 Ų | 42 | 104.2 Ų | 104.2 | 35% | 0.347 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | W278 L279 G286 | W278-A282 VanDerWaalsContact O-CB 3.28Å; W278-A282 WeakPolarHBondContact O-CB 3.32Å; W278-A282 PolarHBondContact O-N 2.9Å; L279-A282 PolarHBondContact O-N 2.94Å; A282-G286 PolarHBondContact O-N 3.48Å |
| 283 | A | 88.4 | Confident | 82.1 | Confident | 54 Ų | 54 | 100.5 Ų | 100.5 | 45% | 0.446 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L279 Y280 G286 V287 | L279-A283 WeakPolarHBondContact O-CB 3.22Å; L279-A283 PolarHBondContact O-N 3.02Å; Y280-A283 PolarHBondContact O-N 3.22Å; A283-G286 PolarHBondContact O-N 3.16Å; A283-V287 WeakPolarHBondContact O-CG2 3.39Å; A283-V287 PolarHBondContact O-N 3.21Å |
| 284 | R | 87.3 | Confident | 82.8 | Confident | 170 Ų | 170 | 99.6 Ų | 99.6 | 64% | 0.642 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.8 | -40.8 | 175.8 | -175 | 174.7 | -179.8 | 173.3 | -2.1 | 111.7 | Y280 S281 L288 | Y280-R284 WeakPolarHBondContact O-CB 3.32Å; Y280-R284 PolarHBondContact O-N 3.02Å; S281-R284 PolarHBondContact O-N 3.48Å; R284-L288 WeakPolarHBondContact O-CB 3.4Å; R284-L288 PolarHBondContact O-N 3.15Å; R284-L288 VanDerWaalsContact O-N 3.12Å |
| 285 | L | 86.3 | Confident | 82.7 | Confident | 101 Ų | 101 | 102.5 Ų | 102.5 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -49.6 | 170.5 | -178.8 | 63.3 | 0 | 0 | 0 | 110.4 | S281 V287 L288 L289 | S281-L285 VanDerWaalsContact O-CB 3.28Å; S281-L285 WeakPolarHBondContact O-CB 3.35Å; S281-L285 PolarHBondContact O-N 3.45Å; L285-V287 PolarHBondContact O-N 2.91Å; L285-L288 CarbonylContact O-C 3.51Å; L285-L288 WeakPolarHBondContact O-CA 3.43Å; L285-L288 WeakPolarHBondContact O-CB 3.31Å; L285-L288 PolarHBondContact O-N 2.93Å; L285-L289 HydrophobicContact CD1-CD2 3.8Å; L285-L289 HydrophobicContact CD1-CG 4.49Å; L285-L289 HydrophobicContact CG-CD2 4.13Å; L285-L289 HydrophobicContact CG-CG 4.3Å; L285-L289 VanDerWaalsContact O-CG 3.24Å; L285-L289 WeakPolarHBondContact O-CG 3.41Å; L285-L289 PolarHBondContact O-N 3.47Å |
| 286 | G | 84.6 | Confident | 82.5 | Confident | 30 Ų | 30 | 96 Ų | 96 | 31% | 0.309 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.1 | -40.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | A282 A283 L289 M290 | A282-G286 PolarHBondContact O-N 3.48Å; A283-G286 PolarHBondContact O-N 3.16Å; G286-L289 PolarHBondContact O-N 2.96Å; G286-M290 WeakPolarHBondContact O-CG 3.37Å; G286-M290 PolarHBondContact O-N 2.92Å |
| 287 | V | 85.1 | Confident | 82.4 | Confident | 90 Ų | 90 | 96.8 Ų | 96.8 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 172.5 | 170.3 | 0 | 0 | 0 | 0 | 111 | A283 L285 M290 I291 | A283-V287 WeakPolarHBondContact O-CG2 3.39Å; A283-V287 PolarHBondContact O-N 3.21Å; L285-V287 PolarHBondContact O-N 2.91Å; V287-M290 PolarHBondContact O-N 3.29Å; V287-I291 HydrophobicContact CG1-CD1 3.95Å; V287-I291 WeakPolarHBondContact O-CG1 3.29Å; V287-I291 PolarHBondContact O-N 2.72Å |
| 288 | L | 82.4 | Confident | 82.2 | Confident | 91 Ų | 91 | 96.2 Ų | 96.2 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 173.6 | 178.9 | 149.7 | 0 | 0 | 0 | 111.6 | R284 L285 I291 I292 | R284-L288 WeakPolarHBondContact O-CB 3.4Å; R284-L288 PolarHBondContact O-N 3.15Å; R284-L288 VanDerWaalsContact O-N 3.12Å; L285-L288 CarbonylContact O-C 3.51Å; L285-L288 WeakPolarHBondContact O-CA 3.43Å; L285-L288 WeakPolarHBondContact O-CB 3.31Å; L285-L288 PolarHBondContact O-N 2.93Å; L288-I291 PolarHBondContact O-N 3.3Å; L288-I292 HydrophobicContact CD2-CD1 3.56Å; L288-I292 HydrophobicContact CG-CD1 4.29Å; L288-I292 VanDerWaalsContact O-CG1 3.31Å; L288-I292 WeakPolarHBondContact O-CG1 3.19Å; L288-I292 PolarHBondContact O-N 3.43Å |
| 289 | L | 81.4 | Confident | 81.8 | Confident | 50 Ų | 50 | 90.5 Ų | 90.5 | 26% | 0.262 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 174.3 | -55.1 | -155.4 | 0 | 0 | 0 | 110.6 | L285 G286 I292 Y293 F301 M305 | L285-L289 HydrophobicContact CD1-CD2 3.8Å; L285-L289 HydrophobicContact CD1-CG 4.49Å; L285-L289 HydrophobicContact CG-CD2 4.13Å; L285-L289 HydrophobicContact CG-CG 4.3Å; L285-L289 VanDerWaalsContact O-CG 3.24Å; L285-L289 WeakPolarHBondContact O-CG 3.41Å; L285-L289 PolarHBondContact O-N 3.47Å; G286-L289 PolarHBondContact O-N 2.96Å; L289-I292 PolarHBondContact O-N 3.38Å; L289-Y293 VanDerWaalsContact O-CB 3.29Å; L289-Y293 WeakPolarHBondContact O-CB 3.44Å; L289-Y293 PolarHBondContact O-N 3.3Å; L289-F301 HydrophobicContact CB-CE2 4.32Å; L289-F301 HydrophobicContact CB-CZ 4.26Å; L289-F301 VanDerWaalsContact O-CE2 3.24Å; L289-F301 WeakPolarHBondContact O-CE2 3.19Å; L289-M305 HydrophobicContact CD1-SD 3.93Å; L289-M305 HydrophobicContact CD2-CE 3.8Å; L289-M305 HydrophobicContact CD2-SD 3.77Å; L289-M305 HydrophobicContact CG-SD 4.38Å |
| 290 | M | 80.3 | Confident | 81.4 | Confident | 110 Ų | 110 | 95.4 Ų | 95.4 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 177.2 | -75.2 | -66.9 | 175.6 | 0 | 0 | 112.4 | G286 V287 Y293 F294 | G286-M290 WeakPolarHBondContact O-CG 3.37Å; G286-M290 PolarHBondContact O-N 2.92Å; V287-M290 PolarHBondContact O-N 3.29Å; M290-Y293 WeakPolarHBondContact O-CB 3.28Å; M290-Y293 PolarHBondContact O-N 2.88Å; M290-F294 VanDerWaalsContact O-CD2 3.22Å; M290-F294 WeakPolarHBondContact O-CD2 3.49Å; M290-F294 PolarHBondContact O-N 2.89Å |
| 291 | I | 81.1 | Confident | 81.2 | Confident | 101 Ų | 101 | 90.4 Ų | 90.4 | 52% | 0.518 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 174.8 | -69 | 164.7 | 0 | 0 | 0 | 110.6 | V287 L288 Y293 N295 | V287-I291 HydrophobicContact CG1-CD1 3.95Å; V287-I291 WeakPolarHBondContact O-CG1 3.29Å; V287-I291 PolarHBondContact O-N 2.72Å; L288-I291 PolarHBondContact O-N 3.3Å; I291-Y293 VanDerWaalsContact C-N 3.34Å; I291-Y293 PolarHBondContact O-N 3.38Å; I291-N295 PolarHBondContact O-N 2.91Å; I291-N295 PolarHBondContact O-ND2 2.9Å |
| 292 | I | 78.8 | Confident | 81.1 | Confident | 62 Ų | 62 | 90.1 Ų | 90.1 | 32% | 0.318 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 176.1 | -62.8 | 170.1 | 0 | 0 | 0 | 110.5 | L288 L289 N295 S296 F301 M305 | L288-I292 HydrophobicContact CD2-CD1 3.56Å; L288-I292 HydrophobicContact CG-CD1 4.29Å; L288-I292 VanDerWaalsContact O-CG1 3.31Å; L288-I292 WeakPolarHBondContact O-CG1 3.19Å; L288-I292 PolarHBondContact O-N 3.43Å; L289-I292 PolarHBondContact O-N 3.38Å; I292-N295 CarbonylContact O-C 3.58Å; I292-N295 PolarHBondContact O-N 3.46Å; I292-S296 WeakPolarHBondContact O-CB 3.22Å; I292-S296 PolarHBondContact O-N 2.86Å; I292-S296 PolarHBondContact O-OG 3.49Å; I292-F301 HydrophobicContact CB-CD2 4.46Å; I292-F301 HydrophobicContact CG2-CD2 4.06Å; I292-M305 HydrophobicContact CD1-CE 4.5Å |
| 293 | Y | 80.1 | Confident | 80.9 | Confident | 94 Ų | 94 | 93.4 Ų | 93.4 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.1 | -53.7 | 176.2 | 173.3 | -95.5 | 0 | 0 | 0 | 112 | L289 M290 I291 N295 S296 L298 F301 | L289-Y293 VanDerWaalsContact O-CB 3.29Å; L289-Y293 WeakPolarHBondContact O-CB 3.44Å; L289-Y293 PolarHBondContact O-N 3.3Å; M290-Y293 WeakPolarHBondContact O-CB 3.28Å; M290-Y293 PolarHBondContact O-N 2.88Å; I291-Y293 VanDerWaalsContact C-N 3.34Å; I291-Y293 PolarHBondContact O-N 3.38Å; Y293-N295 PolarHBondContact O-N 3.35Å; Y293-S296 PolarHBondContact O-N 3.43Å; Y293-L298 HydrophobicContact CE2-CD1 3.89Å; Y293-F301 AromaticContact CD2-CD1 3.86Å; Y293-F301 HydrophobicContact CD2-CD1 3.86Å; Y293-F301 HydrophobicContact CD2-CE1 4.05Å; Y293-F301 HydrophobicContact CD2-CG 4.11Å; Y293-F301 HydrophobicContact CD2-CZ 4.47Å |
| 294 | F | 77.1 | Confident | 80.7 | Confident | 163 Ų | 163 | 94.2 Ų | 94.2 | 72% | 0.715 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.6 | -22 | 179.5 | -80.5 | -68 | 0 | 0 | 0 | 113.7 | M290 | M290-F294 VanDerWaalsContact O-CD2 3.22Å; M290-F294 WeakPolarHBondContact O-CD2 3.49Å; M290-F294 PolarHBondContact O-N 2.89Å |
| 295 | N | 75.7 | Confident | 80.5 | Confident | 136 Ų | 136 | 87.8 Ų | 87.8 | 73% | 0.727 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 4.6 | 174.9 | -71.7 | -90 | 0 | 0 | 0 | 113.5 | I291 I292 Y293 | I291-N295 PolarHBondContact O-N 2.91Å; I291-N295 PolarHBondContact O-ND2 2.9Å; I292-N295 CarbonylContact O-C 3.58Å; I292-N295 PolarHBondContact O-N 3.46Å; Y293-N295 PolarHBondContact O-N 3.35Å |
| 296 | S | 79.9 | Confident | 80.3 | Confident | 47 Ų | 47 | 85.8 Ų | 85.8 | 33% | 0.329 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -127.5 | 153.5 | -175.6 | -64 | 0 | 0 | 0 | 0 | 112.8 | I292 Y293 | I292-S296 WeakPolarHBondContact O-CB 3.22Å; I292-S296 PolarHBondContact O-N 2.86Å; I292-S296 PolarHBondContact O-OG 3.49Å; Y293-S296 PolarHBondContact O-N 3.43Å |
| 297 | N | 76.4 | Confident | 80.3 | Confident | 112 Ų | 112 | 88.4 Ų | 88.4 | 60% | 0.599 | 46% | 0.46 | S | S | * | . | trans | -71.8 | 133.4 | 161.8 | -173.1 | -55.7 | 0 | 0 | 0 | 109.1 | S299 R300 F301 | N297-S299 PolarHBondContact O-N 2.89Å; N297-S299 PolarHBondContact OD1-N 2.84Å; N297-R300 PolarHBondContact O-N 3.49Å; N297-F301 PolarHBondContact O-N 3.23Å; N297-F301 VanDerWaalsContact O-N 3.11Å | ||
| 298 | L | 76.8 | Confident | 80.2 | Confident | 87 Ų | 87 | 89 Ų | 89 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -41.4 | -44.8 | -177.6 | 175.1 | 66.8 | 0 | 0 | 0 | 113.7 | Y293 R300 F301 L302 | Y293-L298 HydrophobicContact CE2-CD1 3.89Å; L298-R300 PolarHBondContact O-N 2.82Å; L298-F301 PolarHBondContact O-N 3.4Å; L298-L302 HydrophobicContact CD1-CD1 3.9Å; L298-L302 HydrophobicContact CD1-CG 4.15Å; L298-L302 HydrophobicContact CG-CD1 4.05Å; L298-L302 WeakPolarHBondContact O-CG 3.24Å; L298-L302 PolarHBondContact O-N 3.33Å |
| 299 | S | 74.4 | Confident | 80.3 | Confident | 74 Ų | 74 | 89.5 Ų | 89.5 | 52% | 0.517 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 179.4 | 173.5 | 0 | 0 | 0 | 0 | 112.7 | N297 L303 | N297-S299 PolarHBondContact O-N 2.89Å; N297-S299 PolarHBondContact OD1-N 2.84Å; S299-L303 WeakPolarHBondContact O-CG 3.37Å; S299-L303 PolarHBondContact O-N 2.99Å; S299-L303 VanDerWaalsContact O-N 3.1Å |
| 300 | R | 79.1 | Confident | 80.4 | Confident | 186 Ų | 186 | 92.3 Ų | 92.3 | 70% | 0.702 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70.3 | -39.5 | 179.2 | -64.8 | -176.6 | 179.9 | 177.2 | -0.2 | 111.5 | N297 L298 L303 V304 | N297-R300 PolarHBondContact O-N 3.49Å; L298-R300 PolarHBondContact O-N 2.82Å; R300-L303 PolarHBondContact O-N 3.01Å; R300-V304 WeakPolarHBondContact O-CG2 3.47Å; R300-V304 PolarHBondContact O-N 2.93Å; R300-V304 VanDerWaalsContact O-N 3.08Å |
| 301 | F | 82.9 | Confident | 80.5 | Confident | 28 Ų | 28 | 93 Ų | 93 | 12% | 0.123 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -57.9 | -51.2 | 174 | 173.4 | -99.2 | 0 | 0 | 0 | 111.4 | L289 I292 Y293 N297 L298 L303 V304 M305 | L289-F301 HydrophobicContact CB-CE2 4.32Å; L289-F301 HydrophobicContact CB-CZ 4.26Å; L289-F301 VanDerWaalsContact O-CE2 3.24Å; L289-F301 WeakPolarHBondContact O-CE2 3.19Å; I292-F301 HydrophobicContact CB-CD2 4.46Å; I292-F301 HydrophobicContact CG2-CD2 4.06Å; Y293-F301 AromaticContact CD2-CD1 3.86Å; Y293-F301 HydrophobicContact CD2-CD1 3.86Å; Y293-F301 HydrophobicContact CD2-CE1 4.05Å; Y293-F301 HydrophobicContact CD2-CG 4.11Å; Y293-F301 HydrophobicContact CD2-CZ 4.47Å; N297-F301 PolarHBondContact O-N 3.23Å; N297-F301 VanDerWaalsContact O-N 3.11Å; L298-F301 PolarHBondContact O-N 3.4Å; F301-L303 VanDerWaalsContact C-N 3.34Å; F301-L303 PolarHBondContact O-N 3.27Å; F301-V304 PolarHBondContact O-N 2.94Å; F301-M305 HydrophobicContact CD1-CG 4.37Å; F301-M305 HydrophobicContact CD2-CE 4.16Å; F301-M305 HydrophobicContact CD2-CG 4.31Å; F301-M305 HydrophobicContact CE1-CG 3.97Å; F301-M305 HydrophobicContact CE2-CE 3.71Å; F301-M305 HydrophobicContact CE2-CG 3.91Å; F301-M305 HydrophobicContact CE2-SD 4.33Å; F301-M305 HydrophobicContact CZ-CE 4.35Å; F301-M305 HydrophobicContact CZ-CG 3.73Å; F301-M305 HydrophobicContact CZ-SD 4.39Å; F301-M305 WeakPolarHBondContact O-CG 3.36Å; F301-M305 PolarHBondContact O-N 3.39Å |
| 302 | L | 81.4 | Confident | 80.5 | Confident | 65 Ų | 65 | 94.6 Ų | 94.6 | 34% | 0.34 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64 | -35.7 | -179.9 | -70.2 | 173.7 | 0 | 0 | 0 | 112.9 | L298 S306 F397 | L298-L302 HydrophobicContact CD1-CD1 3.9Å; L298-L302 HydrophobicContact CD1-CG 4.15Å; L298-L302 HydrophobicContact CG-CD1 4.05Å; L298-L302 WeakPolarHBondContact O-CG 3.24Å; L298-L302 PolarHBondContact O-N 3.33Å; L302-S306 WeakPolarHBondContact O-CB 3.38Å; L302-S306 PolarHBondContact O-N 3.3Å; L302-F397 HydrophobicContact CD1-CE1 3.72Å; L302-F397 HydrophobicContact CD1-CZ 3.92Å |
| 303 | L | 80.4 | Confident | 80.7 | Confident | 111 Ų | 111 | 95 Ų | 95 | 58% | 0.581 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64 | -45 | 173.6 | -74.3 | 172.9 | 0 | 0 | 0 | 112.1 | S299 R300 F301 S306 T307 | S299-L303 WeakPolarHBondContact O-CG 3.37Å; S299-L303 PolarHBondContact O-N 2.99Å; S299-L303 VanDerWaalsContact O-N 3.1Å; R300-L303 PolarHBondContact O-N 3.01Å; F301-L303 VanDerWaalsContact C-N 3.34Å; F301-L303 PolarHBondContact O-N 3.27Å; L303-S306 PolarHBondContact O-N 2.85Å; L303-T307 WeakPolarHBondContact O-CG2 3.37Å; L303-T307 PolarHBondContact O-N 3.01Å; L303-T307 PolarHBondContact O-OG1 3.05Å |
| 304 | V | 82.4 | Confident | 80.6 | Confident | 71 Ų | 71 | 97.1 Ų | 97.1 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 178 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | R300 F301 T307 L308 | R300-V304 WeakPolarHBondContact O-CG2 3.47Å; R300-V304 PolarHBondContact O-N 2.93Å; R300-V304 VanDerWaalsContact O-N 3.08Å; F301-V304 PolarHBondContact O-N 2.94Å; V304-T307 PolarHBondContact O-OG1 3.12Å; V304-L308 HydrophobicContact CG1-CD1 3.94Å; V304-L308 WeakPolarHBondContact O-CB 3.44Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.32Å; V304-L308 PolarHBondContact O-N 2.97Å |
| 305 | M | 84.4 | Confident | 80.2 | Confident | 35 Ų | 35 | 94.4 Ų | 94.4 | 17% | 0.172 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 174.9 | -66 | -57.3 | 135.8 | 0 | 0 | 112 | L289 I292 F301 L308 L309 | L289-M305 HydrophobicContact CD1-SD 3.93Å; L289-M305 HydrophobicContact CD2-CE 3.8Å; L289-M305 HydrophobicContact CD2-SD 3.77Å; L289-M305 HydrophobicContact CG-SD 4.38Å; I292-M305 HydrophobicContact CD1-CE 4.5Å; F301-M305 HydrophobicContact CD1-CG 4.37Å; F301-M305 HydrophobicContact CD2-CE 4.16Å; F301-M305 HydrophobicContact CD2-CG 4.31Å; F301-M305 HydrophobicContact CE1-CG 3.97Å; F301-M305 HydrophobicContact CE2-CE 3.71Å; F301-M305 HydrophobicContact CE2-CG 3.91Å; F301-M305 HydrophobicContact CE2-SD 4.33Å; F301-M305 HydrophobicContact CZ-CE 4.35Å; F301-M305 HydrophobicContact CZ-CG 3.73Å; F301-M305 HydrophobicContact CZ-SD 4.39Å; F301-M305 WeakPolarHBondContact O-CG 3.36Å; F301-M305 PolarHBondContact O-N 3.39Å; M305-L308 HydrophobicContact CE-CD1 4.42Å; M305-L309 VanDerWaalsContact O-CB 3.22Å; M305-L309 WeakPolarHBondContact O-CB 3.42Å; M305-L309 PolarHBondContact O-N 3.39Å |
| 306 | S | 82 | Confident | 79.8 | Confident | 59 Ų | 59 | 93.7 Ų | 93.7 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | L302 L303 L309 L310 | L302-S306 WeakPolarHBondContact O-CB 3.38Å; L302-S306 PolarHBondContact O-N 3.3Å; L303-S306 PolarHBondContact O-N 2.85Å; S306-L309 PolarHBondContact O-N 3.24Å; S306-L310 WeakPolarHBondContact O-CB 3.23Å; S306-L310 VanDerWaalsContact O-CG 3.29Å; S306-L310 WeakPolarHBondContact O-CG 3.35Å; S306-L310 PolarHBondContact O-N 2.99Å |
| 307 | T | 83.4 | Confident | 78.9 | Confident | 85 Ų | 85 | 93.8 Ų | 93.8 | 52% | 0.521 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.2 | -36.6 | 178 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | L303 V304 L310 M311 | L303-T307 WeakPolarHBondContact O-CG2 3.37Å; L303-T307 PolarHBondContact O-N 3.01Å; L303-T307 PolarHBondContact O-OG1 3.05Å; V304-T307 PolarHBondContact O-OG1 3.12Å; T307-L310 PolarHBondContact O-N 3.27Å; T307-M311 WeakPolarHBondContact O-CB 3.45Å; T307-M311 PolarHBondContact O-N 2.95Å |
| 308 | L | 83.6 | Confident | 78.1 | Confident | 101 Ų | 101 | 97 Ų | 97 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 170.7 | -75 | 169.6 | 0 | 0 | 0 | 111.7 | V304 M305 M311 Y312 | V304-L308 HydrophobicContact CG1-CD1 3.94Å; V304-L308 WeakPolarHBondContact O-CB 3.44Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.32Å; V304-L308 PolarHBondContact O-N 2.97Å; M305-L308 HydrophobicContact CE-CD1 4.42Å; L308-M311 PolarHBondContact O-N 3.03Å; L308-Y312 VanDerWaalsContact O-CB 3.31Å; L308-Y312 WeakPolarHBondContact O-CB 3.19Å; L308-Y312 PolarHBondContact O-N 2.91Å |
| 309 | L | 84 | Confident | 76.8 | Confident | 102 Ų | 102 | 100.3 Ų | 100.3 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 176.6 | -177.4 | 64 | 0 | 0 | 0 | 111.9 | M305 S306 Y312 L313 | M305-L309 VanDerWaalsContact O-CB 3.22Å; M305-L309 WeakPolarHBondContact O-CB 3.42Å; M305-L309 PolarHBondContact O-N 3.39Å; S306-L309 PolarHBondContact O-N 3.24Å; L309-Y312 PolarHBondContact O-N 3.34Å; L309-L313 HydrophobicContact CD1-CD1 3.74Å; L309-L313 HydrophobicContact CG-CD1 4.18Å; L309-L313 WeakPolarHBondContact O-CB 3.47Å; L309-L313 WeakPolarHBondContact O-CD1 3.24Å; L309-L313 PolarHBondContact O-N 3.02Å |
| 310 | L | 84.8 | Confident | 75.9 | Confident | 110 Ų | 110 | 102.4 Ų | 102.4 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 175.6 | -73.5 | 166.2 | 0 | 0 | 0 | 112.1 | S306 T307 Y312 L313 H314 | S306-L310 WeakPolarHBondContact O-CB 3.23Å; S306-L310 VanDerWaalsContact O-CG 3.29Å; S306-L310 WeakPolarHBondContact O-CG 3.35Å; S306-L310 PolarHBondContact O-N 2.99Å; T307-L310 PolarHBondContact O-N 3.27Å; L310-Y312 VanDerWaalsContact C-N 3.32Å; L310-Y312 PolarHBondContact O-N 2.88Å; L310-L313 PolarHBondContact O-N 3.4Å; L310-H314 WeakPolarHBondContact O-CB 3.2Å; L310-H314 PolarHBondContact O-N 2.91Å |
| 311 | M | 81.8 | Confident | 74.7 | Confident | 123 Ų | 123 | 102.1 Ų | 102.1 | 61% | 0.606 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.3 | -40.4 | 174 | -174.9 | 65.2 | 75.3 | 0 | 0 | 111.4 | T307 L308 H314 T315 | T307-M311 WeakPolarHBondContact O-CB 3.45Å; T307-M311 PolarHBondContact O-N 2.95Å; L308-M311 PolarHBondContact O-N 3.03Å; M311-H314 PolarHBondContact O-N 3.19Å; M311-T315 WeakPolarHBondContact O-CB 3.44Å; M311-T315 PolarHBondContact O-N 2.77Å; M311-T315 PolarHBondContact O-OG1 2.97Å |
| 312 | Y | 82 | Confident | 73.1 | Confident | 135 Ų | 135 | 112 Ų | 112 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.1 | -45.4 | 177 | -177.6 | -104.9 | 0 | 0 | 0 | 112.4 | L308 L309 L310 H314 T315 M316 | L308-Y312 VanDerWaalsContact O-CB 3.31Å; L308-Y312 WeakPolarHBondContact O-CB 3.19Å; L308-Y312 PolarHBondContact O-N 2.91Å; L309-Y312 PolarHBondContact O-N 3.34Å; L310-Y312 VanDerWaalsContact C-N 3.32Å; L310-Y312 PolarHBondContact O-N 2.88Å; Y312-H314 VanDerWaalsContact C-N 3.32Å; Y312-H314 PolarHBondContact O-N 2.83Å; Y312-T315 PolarHBondContact O-N 3.06Å; Y312-T315 VanDerWaalsContact O-N 3.15Å; Y312-M316 HydrophobicContact CD1-CG 4.43Å; Y312-M316 HydrophobicContact CE1-CG 4.08Å; Y312-M316 HydrophobicContact CE2-CE 3.98Å; Y312-M316 HydrophobicContact CE2-CG 4.33Å; Y312-M316 WeakPolarHBondContact O-CB 3.28Å; Y312-M316 PolarHBondContact O-N 3.38Å; Y312-M316 VanDerWaalsContact OH-CE 3.24Å; Y312-M316 WeakPolarHBondContact OH-CE 3.44Å |
| 313 | L | 82.4 | Confident | 71.5 | Confident | 71 Ų | 71 | 120 Ų | 120 | 37% | 0.372 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.8 | -37.6 | 174.3 | -98.2 | 62.4 | 0 | 0 | 0 | 112.5 | L309 L310 W318 | L309-L313 HydrophobicContact CD1-CD1 3.74Å; L309-L313 HydrophobicContact CG-CD1 4.18Å; L309-L313 WeakPolarHBondContact O-CB 3.47Å; L309-L313 WeakPolarHBondContact O-CD1 3.24Å; L309-L313 PolarHBondContact O-N 3.02Å; L310-L313 PolarHBondContact O-N 3.4Å; L313-W318 HydrophobicContact CD2-CE3 4.34Å; L313-W318 HydrophobicContact CD2-CZ3 4.35Å |
| 314 | H | 76.9 | Confident | 70 | Confident | 139 Ų | 139 | 120.4 Ų | 120.4 | 64% | 0.644 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.2 | -43.9 | 172.4 | 177.3 | -90 | 0 | 0 | 0 | 111.5 | L310 M311 Y312 G317 | L310-H314 WeakPolarHBondContact O-CB 3.2Å; L310-H314 PolarHBondContact O-N 2.91Å; M311-H314 PolarHBondContact O-N 3.19Å; Y312-H314 VanDerWaalsContact C-N 3.32Å; Y312-H314 PolarHBondContact O-N 2.83Å; H314-G317 PolarHBondContact O-N 3.34Å |
| 315 | T | 69.5 | Low | 68.4 | Low | 105 Ų | 105 | 120.9 Ų | 120.9 | 64% | 0.644 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.4 | -35.6 | 179.2 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | M311 Y312 G317 | M311-T315 WeakPolarHBondContact O-CB 3.44Å; M311-T315 PolarHBondContact O-N 2.77Å; M311-T315 PolarHBondContact O-OG1 2.97Å; Y312-T315 PolarHBondContact O-N 3.06Å; Y312-T315 VanDerWaalsContact O-N 3.15Å; T315-G317 PolarHBondContact O-N 2.78Å; T315-G317 VanDerWaalsContact O-N 3.16Å |
| 316 | M | 66.4 | Low | 66.7 | Low | 121 Ų | 121 | 125.1 Ų | 125.1 | 60% | 0.596 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 4.5 | 176.5 | -82.7 | -65.4 | -176.2 | 0 | 0 | 114.6 | Y312 W318 | Y312-M316 HydrophobicContact CD1-CG 4.43Å; Y312-M316 HydrophobicContact CE1-CG 4.08Å; Y312-M316 HydrophobicContact CE2-CE 3.98Å; Y312-M316 HydrophobicContact CE2-CG 4.33Å; Y312-M316 WeakPolarHBondContact O-CB 3.28Å; Y312-M316 PolarHBondContact O-N 3.38Å; Y312-M316 VanDerWaalsContact OH-CE 3.24Å; Y312-M316 WeakPolarHBondContact OH-CE 3.44Å; M316-W318 VanDerWaalsContact C-N 3.3Å; M316-W318 PolarHBondContact O-N 3.08Å |
| 317 | G | 61.8 | Low | 65.1 | Low | 50 Ų | 50 | 129 Ų | 129 | 52% | 0.515 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 64.4 | 28.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H314 T315 F319 | H314-G317 PolarHBondContact O-N 3.34Å; T315-G317 PolarHBondContact O-N 2.78Å; T315-G317 VanDerWaalsContact O-N 3.16Å; G317-F319 PolarHBondContact O-N 2.98Å |
| 318 | W | 59.6 | Low | 63 | Low | 180 Ų | 180 | 132.9 Ų | 132.9 | 68% | 0.682 | 67% | 0.672 | S | S | * | * | trans | -62.4 | -13.4 | -178.5 | -174.5 | 26.9 | 0 | 0 | 0 | 113.6 | L313 M316 P320 M386 | L313-W318 HydrophobicContact CD2-CE3 4.34Å; L313-W318 HydrophobicContact CD2-CZ3 4.35Å; M316-W318 VanDerWaalsContact C-N 3.3Å; M316-W318 PolarHBondContact O-N 3.08Å; W318-P320 WeakPolarHBondContact O-CD 3.35Å; W318-M386 HydrophobicContact CH2-CE 3.63Å; W318-M386 HydrophobicContact CH2-SD 4.41Å; W318-M386 HydrophobicContact CZ2-CE 4.05Å | ||
| 319 | F | 49.8 | Very low | 61.1 | Low | 156 Ų | 156 | 131.5 Ų | 131.5 | 68% | 0.684 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -78.6 | 113.8 | 165.8 | -72.4 | -77 | 0 | 0 | 0 | 110.8 | G317 F321 | G317-F319 PolarHBondContact O-N 2.98Å; F319-F321 HydrophobicContact CB-CD2 4.25Å; F319-F321 PolarHBondContact O-N 3.42Å |
| 320 | P | 55.2 | Low | 59 | Low | 118 Ų | 118 | 131.9 Ų | 131.9 | 77% | 0.766 | 68% | 0.684 | S | S | * | * | trans | -78.3 | 36.1 | -171.4 | 34.7 | -38.3 | 0 | 0 | 0 | 113.9 | W318 R322 | W318-P320 WeakPolarHBondContact O-CD 3.35Å; P320-R322 PolarHBondContact O-N 2.9Å | ||
| 321 | F | 53.3 | Low | 56.5 | Low | 179 Ų | 179 | 134.7 Ų | 134.7 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | trans | -77.5 | 58.9 | 170.2 | -70 | -68.1 | 0 | 0 | 0 | 111.1 | F319 R323 | F319-F321 HydrophobicContact CB-CD2 4.25Å; F319-F321 PolarHBondContact O-N 3.42Å; F321-R323 PolarHBondContact O-N 3.19Å | ||
| 322 | R | 50.2 | Low | 54.4 | Low | 236 Ų | 236 | 137.9 Ų | 137.9 | 89% | 0.891 | 70% | 0.704 | S | S | * | * | trans | -57.3 | 104.9 | 156.1 | -77.7 | -170.7 | 177.2 | -167.2 | -0.7 | 106.8 | P320 P324 | P320-R322 PolarHBondContact O-N 2.9Å; R322-P324 WeakPolarHBondContact O-CD 3.24Å | ||
| 323 | R | 47.5 | Very low | 52.3 | Low | 232 Ų | 232 | 139.8 Ų | 139.8 | 88% | 0.875 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 125.7 | 160.2 | -62.6 | 176.9 | -174.5 | 162.7 | 2.3 | 106 | F321 A325 | F321-R323 PolarHBondContact O-N 3.19Å; R323-A325 PolarHBondContact O-N 3.38Å |
| 324 | P | 50.1 | Low | 50.2 | Low | 120 Ų | 120 | 142 Ų | 142 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 132.5 | 169.9 | -24.8 | 34.7 | 0 | 0 | 0 | 108.3 | R322 | R322-P324 WeakPolarHBondContact O-CD 3.24Š|
| 325 | A | 48.4 | Very low | 48.4 | Very low | 81 Ų | 81 | 140.7 Ų | 140.7 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 136.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | R323 V327 | R323-A325 PolarHBondContact O-N 3.38Å; A325-V327 PolarHBondContact O-N 3.27Å |
| 326 | P | 48.5 | Very low | 46.9 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | trans | -61.2 | 108.1 | 175.4 | 25.6 | -32.4 | 0 | 0 | 0 | 107.6 | Q328 | P326-Q328 PolarHBondContact O-N 3.31Š| ||
| 327 | V | 47.3 | Very low | 45.7 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -57.6 | 114.2 | 176.3 | 174.1 | 0 | 0 | 0 | 0 | 106.6 | A325 A329 | A325-V327 PolarHBondContact O-N 3.27Å; V327-A329 PolarHBondContact O-N 3.49Å | ||
| 328 | Q | 40.6 | Very low | 44.5 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -69.4 | 102.2 | -174.5 | -169 | 162.4 | 10.7 | 0 | 0 | 108.3 | P326 | P326-Q328 PolarHBondContact O-N 3.31Š| ||
| 329 | A | 42.5 | Very low | 43.3 | Very low | 71 Ų | 71 | 150 Ų | 150 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | trans | -55.5 | 138.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | V327 H331 | V327-A329 PolarHBondContact O-N 3.49Å; A329-H331 PolarHBondContact O-N 3.36Å; A329-H331 VanDerWaalsContact O-N 3.08Å | ||
| 330 | P | 40.8 | Very low | 42.5 | Very low | 111 Ų | 111 | 149.1 Ų | 149.1 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | -54.4 | 119.3 | 177.8 | -27.1 | 35.4 | 0 | 0 | 0 | 110.9 | F332 | P330-F332 PolarHBondContact O-N 2.9Š| ||
| 331 | H | 32.8 | Very low | 41.5 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | trans | -68.6 | 93.2 | 176.5 | -104.2 | -76.1 | 0 | 0 | 0 | 109.5 | A329 Q333 | A329-H331 PolarHBondContact O-N 3.36Å; A329-H331 VanDerWaalsContact O-N 3.08Å; H331-Q333 PolarHBondContact O-N 2.75Å | ||
| 332 | F | 37.6 | Very low | 40.4 | Very low | 190 Ų | 190 | 150.8 Ų | 150.8 | 83% | 0.833 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 122.1 | 158.5 | -81.5 | -86.4 | 0 | 0 | 0 | 108.3 | P330 | P330-F332 PolarHBondContact O-N 2.9Š|
| 333 | Q | 38.1 | Very low | 39.5 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 130.8 | 178.1 | -65.3 | 173.5 | -17.3 | 0 | 0 | 109.4 | H331 | H331-Q333 PolarHBondContact O-N 2.75Š|
| 334 | P | 36.7 | Very low | 38.8 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 125.3 | 159.6 | -12.1 | 28 | 0 | 0 | 0 | 107.9 | E336 | P334-E336 PolarHBondContact O-N 2.84Š|
| 335 | P | 40.8 | Very low | 37.9 | Very low | 111 Ų | 111 | 144 Ų | 144 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -69 | 128.1 | 178.5 | 27.3 | -33.3 | 0 | 0 | 0 | 110.6 | V337 | P335-V337 HydrophobicContact CB-CG2 4.28Å; P335-V337 PolarHBondContact O-N 3.41Å |
| 336 | E | 36.3 | Very low | 37.1 | Very low | 201 Ų | 201 | 149.8 Ų | 149.8 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | trans | -71.5 | 106 | 172.2 | -174.7 | 177.7 | 118.6 | 0 | 0 | 109.4 | P334 | P334-E336 PolarHBondContact O-N 2.84Š| ||
| 337 | V | 41.4 | Very low | 36.2 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | -119.7 | 82.1 | 178.6 | -171.3 | 0 | 0 | 0 | 0 | 110.5 | P335 H339 | P335-V337 HydrophobicContact CB-CG2 4.28Å; P335-V337 PolarHBondContact O-N 3.41Å; V337-H339 PolarHBondContact O-N 2.8Å | ||
| 338 | Q | 36.4 | Very low | 36.4 | Very low | 162 Ų | 162 | 149 Ų | 149 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | trans | 5.9 | 95.8 | 143.8 | -169.8 | 174.8 | 28.4 | 0 | 0 | 115.7 | N340 | Q338-N340 HydrophobicContact CG-CB 4.49Å; Q338-N340 PolarHBondContact O-N 3.45Å | ||
| 339 | H | 34.2 | Very low | 35.9 | Very low | 167 Ų | 167 | 149.2 Ų | 149.2 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -73.5 | 92.8 | 168.3 | -177.1 | 86 | 0 | 0 | 0 | 109.7 | V337 | V337-H339 PolarHBondContact O-N 2.8Š| ||
| 340 | N | 33.5 | Very low | 35.4 | Very low | 139 Ų | 139 | 152.5 Ų | 152.5 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -127 | 144.8 | 164.3 | -152.5 | 7.3 | 0 | 0 | 0 | 109.1 | Q338 | Q338-N340 HydrophobicContact CG-CB 4.49Å; Q338-N340 PolarHBondContact O-N 3.45Å | ||
| 341 | Q | 34.3 | Very low | 34.9 | Very low | 151 Ų | 151 | 152.9 Ų | 152.9 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -89.4 | 170.9 | -162.5 | -62.3 | 177.9 | 4.4 | 0 | 0 | 113 | ||||
| 342 | Q | 29.8 | Very low | 34.8 | Very low | 180 Ų | 180 | 152.9 Ų | 152.9 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | trans | 74.5 | 118.6 | 160.4 | -159.5 | 168.9 | -14 | 0 | 0 | 114 | ||||
| 343 | N | 31 | Very low | 34.5 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | -153.5 | 167.4 | 51.8 | -155.4 | 71.5 | 0 | 0 | 0 | 113.8 | |||||
| 344 | E | 33.7 | Very low | 34.1 | Very low | 175 Ų | 175 | 148.8 Ų | 148.8 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -78 | 145.9 | 170 | -70.6 | 154.8 | 43.9 | 0 | 0 | 112.7 | ||||
| 345 | D | 30.9 | Very low | 33.8 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | 163.1 | 154.7 | 105.7 | -168.4 | 22.2 | 0 | 0 | 0 | 112.6 | |||||
| 346 | R | 31.1 | Very low | 34.1 | Very low | 203 Ų | 203 | 151.3 Ų | 151.3 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | 81.2 | 85.3 | 145.2 | -136.2 | 173.6 | -162.5 | 83.7 | 3.2 | 124 | ||||
| 347 | N | 30.4 | Very low | 34 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | 62.8 | 136.9 | 128.4 | -155.1 | 82.9 | 0 | 0 | 0 | 122.5 | |||||
| 348 | P | 50.6 | Low | 33.5 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | trans | -104.6 | 156.6 | 179.4 | 40 | -34.5 | 0 | 0 | 0 | 115.8 | ||||
| 349 | E | 30 | Very low | 33.2 | Very low | 171 Ų | 171 | 143 Ų | 143 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | trans | 166.7 | 162.7 | 154.9 | -100.1 | -172.7 | 93.9 | 0 | 0 | 108.4 | ||||
| 350 | H | 33.3 | Very low | 33 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 65% | 0.648 | 75% | 0.749 | S | S | * | * | cis | -147.1 | 179.8 | 3.5 | -159.9 | 79 | 0 | 0 | 0 | 111.4 | ||||
| 351 | N | 29.2 | Very low | 33 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | trans | -62.1 | 161.3 | -176.9 | -59.1 | -72.4 | 0 | 0 | 0 | 118.1 | ||||
| 352 | H | 31.5 | Very low | 33 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 78% | 0.778 | 75% | 0.752 | S | S | * | * | 173.9 | 129.7 | 119.1 | -91.8 | -79.3 | 0 | 0 | 0 | 107.6 | |||||
| 353 | A | 30.7 | Very low | 33 | Very low | 79 Ų | 79 | 136.5 Ų | 136.5 | 65% | 0.653 | 74% | 0.74 | S | S | * | * | cis | 84.5 | 105.9 | 34.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 354 | E | 31.2 | Very low | 32.9 | Very low | 200 Ų | 200 | 139 Ų | 139 | 94% | 0.935 | 75% | 0.747 | S | S | * | * | 179.2 | 167.6 | 125.7 | -97.3 | 178.4 | 102.9 | 0 | 0 | 113.9 | |||||
| 355 | E | 29.1 | Very low | 32.7 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | trans | -104.3 | -166.2 | -177 | -119.5 | -174 | 80.3 | 0 | 0 | 109.9 | ||||
| 356 | P | 47.2 | Very low | 32.6 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | cis | -134.5 | -147.8 | -35.7 | 35.6 | -14.3 | 0 | 0 | 0 | 112.3 | ||||
| 357 | A | 33.4 | Very low | 32.7 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | trans | 85.1 | 142.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 358 | D | 31.6 | Very low | 32.7 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | cis | -160.9 | 168.8 | -12.6 | -135.4 | -37 | 0 | 0 | 0 | 114 | ||||
| 359 | G | 31.3 | Very low | 31.7 | Very low | 59 Ų | 59 | 132.2 Ų | 132.2 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | trans | 84.9 | 148.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 360 | Q | 29.2 | Very low | 31.7 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | cis | -154.9 | 132 | -2.6 | -176.5 | 85 | 21.4 | 0 | 0 | 110.9 | ||||
| 361 | I | 34.2 | Very low | 31.7 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | trans | -18.6 | 147.6 | 153.4 | -6.2 | 173.8 | 0 | 0 | 0 | 115.5 | ||||
| 362 | V | 32.6 | Very low | 31.9 | Very low | 133 Ų | 133 | 136 Ų | 136 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | cis | -158.4 | 163.6 | 33.9 | -163.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 363 | G | 30 | Very low | 32.2 | Very low | 58 Ų | 58 | 135.4 Ų | 135.4 | 60% | 0.598 | 76% | 0.763 | S | S | * | * | cis | 138 | 142.8 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 364 | H | 29.9 | Very low | 32.4 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | trans | 66.6 | 139.7 | -178 | -68.7 | -90.3 | 0 | 0 | 0 | 117.2 | ||||
| 365 | A | 28.4 | Very low | 32.6 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | cis | 80.6 | 135.1 | 24.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 366 | A | 30.3 | Very low | 33.1 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | cis | -163.6 | 169.3 | -10.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 367 | E | 32.3 | Very low | 32.8 | Very low | 181 Ų | 181 | 133.4 Ų | 133.4 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | 61 | 168.5 | 164 | -72.7 | 148.2 | -141.5 | 0 | 0 | 116.1 | ||||
| 368 | E | 30.8 | Very low | 33.1 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | cis | -143.2 | -168.4 | -5.4 | -141.8 | -178.2 | 170.9 | 0 | 0 | 110.8 | ||||
| 369 | S | 29.8 | Very low | 33.6 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | trans | -80.3 | 155.3 | -174.3 | 49.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 370 | E | 29.6 | Very low | 34.4 | Very low | 179 Ų | 179 | 134.3 Ų | 134.3 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | 172.7 | -175.5 | 109.8 | -84.8 | -138.3 | 140.2 | 0 | 0 | 114.1 | |||||
| 371 | E | 32.9 | Very low | 35.4 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -74 | 154.7 | -152.2 | -52.9 | -174 | 108.3 | 0 | 0 | 118.8 | ||||
| 372 | L | 33.2 | Very low | 36.1 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | -150.9 | 122.4 | 138.4 | -129.2 | 169.4 | 0 | 0 | 0 | 111.5 | ||||
| 373 | M | 39.3 | Very low | 37.4 | Very low | 155 Ų | 155 | 137 Ų | 137 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | -72.2 | 136.2 | -172.3 | -65.9 | 174 | -89.2 | 0 | 0 | 114.3 | ||||
| 374 | T | 34.9 | Very low | 39.1 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -154.1 | 128.1 | 151.2 | -52.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 375 | A | 34.7 | Very low | 41 | Very low | 81 Ų | 81 | 134.6 Ų | 134.6 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | trans | 41.2 | 103.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 120 | L377 | A375-L377 PolarHBondContact O-N 3.27Å; A375-L377 VanDerWaalsContact O-N 3.1Å | ||
| 376 | V | 40.2 | Very low | 43.1 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | trans | -67.3 | 104.5 | 163 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | V378 | V376-V378 HydrophobicContact CG1-CG2 4.47Š| ||
| 377 | L | 39.9 | Very low | 45.3 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | trans | -91.1 | 100.2 | 169 | -85.5 | 165 | 0 | 0 | 0 | 110.4 | A375 P379 | A375-L377 PolarHBondContact O-N 3.27Å; A375-L377 VanDerWaalsContact O-N 3.1Å; L377-P379 WeakPolarHBondContact O-CD 3.31Å | ||
| 378 | V | 40.9 | Very low | 47.6 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 124.3 | 170.5 | 177.4 | 0 | 0 | 0 | 0 | 109.2 | V376 | V376-V378 HydrophobicContact CG1-CG2 4.47Š|
| 379 | P | 42 | Very low | 49.8 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 127 | 176.6 | -24.7 | 34.6 | 0 | 0 | 0 | 110.5 | L377 H381 | L377-P379 WeakPolarHBondContact O-CD 3.31Å; P379-H381 PolarHBondContact O-N 2.9Å |
| 380 | P | 48.3 | Very low | 52.2 | Low | 101 Ų | 101 | 131.1 Ų | 131.1 | 66% | 0.656 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 127.6 | -179.4 | 25 | -33.2 | 0 | 0 | 0 | 109.4 | R382 | P380-R382 VanDerWaalsContact C-N 3.29Å; P380-R382 PolarHBondContact O-N 3.08Å |
| 381 | H | 50.2 | Low | 54.9 | Low | 183 Ų | 183 | 125.8 Ų | 125.8 | 85% | 0.847 | 68% | 0.678 | S | S | * | * | trans | -66.7 | 87.1 | -178.7 | -128.7 | 64.4 | 0 | 0 | 0 | 109.5 | P379 V383 | P379-H381 PolarHBondContact O-N 2.9Å; H381-V383 VanDerWaalsContact C-N 3.26Å; H381-V383 PolarHBondContact O-N 2.92Å | ||
| 382 | R | 48 | Very low | 57.3 | Low | 224 Ų | 224 | 125.6 Ų | 125.6 | 85% | 0.845 | 68% | 0.675 | S | S | * | * | trans | -69.6 | 88.8 | 173.6 | -68 | -165.7 | -174.4 | -81.4 | 2.8 | 108 | P380 S384 | P380-R382 VanDerWaalsContact C-N 3.29Å; P380-R382 PolarHBondContact O-N 3.08Å; R382-S384 PolarHBondContact O-N 2.89Å | ||
| 383 | V | 59.1 | Low | 59.6 | Low | 94 Ų | 94 | 122.7 Ų | 122.7 | 57% | 0.57 | 66% | 0.655 | S | S | * | * | trans | -49.9 | 112.8 | 166.8 | -72.4 | 0 | 0 | 0 | 0 | 107.8 | H381 V385 | H381-V383 VanDerWaalsContact C-N 3.26Å; H381-V383 PolarHBondContact O-N 2.92Å; V383-V385 PolarHBondContact O-N 3.35Å | ||
| 384 | S | 65.4 | Low | 61.5 | Low | 71 Ų | 71 | 121.2 Ų | 121.2 | 50% | 0.497 | 65% | 0.645 | S | S | . | * | trans | -58.2 | 138.9 | -179.7 | 176.7 | 0 | 0 | 0 | 0 | 108.5 | R382 M386 W387 T388 | R382-S384 PolarHBondContact O-N 2.89Å; S384-M386 PolarHBondContact O-N 2.93Å; S384-M386 WeakPolarHBondContact OG-CB 3.44Å; S384-M386 PolarHBondContact OG-N 2.81Å; S384-W387 WeakPolarHBondContact O-CA 3.46Å; S384-W387 WeakPolarHBondContact O-CB 3.3Å; S384-W387 PolarHBondContact O-N 3.43Å; S384-T388 PolarHBondContact O-N 3.07Å; S384-T388 PolarHBondContact O-OG1 2.88Å | ||
| 385 | V | 71.6 | Confident | 63.4 | Low | 125 Ų | 125 | 118.8 Ų | 118.8 | 76% | 0.758 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -54.5 | -31.2 | 175 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | V383 T388 A389 | V383-V385 PolarHBondContact O-N 3.35Å; V385-T388 PolarHBondContact O-N 3.01Å; V385-A389 VanDerWaalsContact O-CB 3.26Å; V385-A389 WeakPolarHBondContact O-CB 3.46Å; V385-A389 PolarHBondContact O-N 3.01Å |
| 386 | M | 72.1 | Confident | 65.5 | Low | 114 Ų | 114 | 120.2 Ų | 120.2 | 56% | 0.562 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -60.1 | -42.1 | 171.3 | -157.6 | 67.5 | 59 | 0 | 0 | 113.2 | W318 S384 W390 | W318-M386 HydrophobicContact CH2-CE 3.63Å; W318-M386 HydrophobicContact CH2-SD 4.41Å; W318-M386 HydrophobicContact CZ2-CE 4.05Å; S384-M386 PolarHBondContact O-N 2.93Å; S384-M386 WeakPolarHBondContact OG-CB 3.44Å; S384-M386 PolarHBondContact OG-N 2.81Å; M386-W390 VanDerWaalsContact O-CB 3.24Å; M386-W390 WeakPolarHBondContact O-CB 3.38Å; M386-W390 PolarHBondContact O-N 2.82Å |
| 387 | W | 75.3 | Confident | 67.2 | Low | 158 Ų | 158 | 116.8 Ų | 116.8 | 60% | 0.598 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.9 | -45 | 177 | -178.4 | -95.5 | 0 | 0 | 0 | 111.1 | S384 A389 W390 V391 | S384-W387 WeakPolarHBondContact O-CA 3.46Å; S384-W387 WeakPolarHBondContact O-CB 3.3Å; S384-W387 PolarHBondContact O-N 3.43Å; W387-A389 VanDerWaalsContact C-N 3.33Å; W387-A389 PolarHBondContact O-N 2.87Å; W387-W390 PolarHBondContact O-N 3.34Å; W387-V391 WeakPolarHBondContact O-CG2 3.47Å; W387-V391 PolarHBondContact O-N 3.34Å |
| 388 | T | 81.1 | Confident | 68.6 | Low | 76 Ų | 76 | 113.1 Ų | 113.1 | 47% | 0.466 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.6 | -41.8 | 177.2 | -43.2 | 0 | 0 | 0 | 0 | 111.3 | S384 V385 F392 | S384-T388 PolarHBondContact O-N 3.07Å; S384-T388 PolarHBondContact O-OG1 2.88Å; V385-T388 PolarHBondContact O-N 3.01Å; T388-F392 WeakPolarHBondContact O-CB 3.25Å; T388-F392 PolarHBondContact O-N 2.77Å |
| 389 | A | 77.8 | Confident | 69.9 | Low | 57 Ų | 57 | 112.3 Ų | 112.3 | 47% | 0.471 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.2 | -40.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V385 W387 F392 F393 | V385-A389 VanDerWaalsContact O-CB 3.26Å; V385-A389 WeakPolarHBondContact O-CB 3.46Å; V385-A389 PolarHBondContact O-N 3.01Å; W387-A389 VanDerWaalsContact C-N 3.33Å; W387-A389 PolarHBondContact O-N 2.87Å; A389-F392 PolarHBondContact O-N 2.96Å; A389-F393 VanDerWaalsContact O-CB 3.31Å; A389-F393 WeakPolarHBondContact O-CB 3.39Å; A389-F393 PolarHBondContact O-N 2.87Å |
| 390 | W | 79.8 | Confident | 71.3 | Confident | 140 Ų | 140 | 111.9 Ų | 111.9 | 53% | 0.53 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.1 | -42.8 | 175.7 | 175.7 | -112 | 0 | 0 | 0 | 112.7 | M386 W387 K394 | M386-W390 VanDerWaalsContact O-CB 3.24Å; M386-W390 WeakPolarHBondContact O-CB 3.38Å; M386-W390 PolarHBondContact O-N 2.82Å; W387-W390 PolarHBondContact O-N 3.34Å; W390-K394 PolarHBondContact O-N 3.39Å |
| 391 | V | 85.8 | Confident | 72.1 | Confident | 67 Ų | 67 | 113.1 Ų | 113.1 | 41% | 0.406 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.5 | -49.6 | 172.7 | 173 | 0 | 0 | 0 | 0 | 110 | W387 F393 K394 T395 | W387-V391 WeakPolarHBondContact O-CG2 3.47Å; W387-V391 PolarHBondContact O-N 3.34Å; V391-F393 VanDerWaalsContact C-N 3.32Å; V391-F393 PolarHBondContact O-N 3.1Å; V391-K394 WeakPolarHBondContact O-CB 3.35Å; V391-K394 PolarHBondContact O-N 2.95Å; V391-T395 PolarHBondContact O-N 2.96Å; V391-T395 PolarHBondContact O-OG1 2.88Å |
| 392 | F | 83.2 | Confident | 72.1 | Confident | 154 Ų | 154 | 109.3 Ų | 109.3 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -58.8 | -42.2 | -180 | -163 | -85 | 0 | 0 | 0 | 112.4 | T388 A389 T395 F396 | T388-F392 WeakPolarHBondContact O-CB 3.25Å; T388-F392 PolarHBondContact O-N 2.77Å; A389-F392 PolarHBondContact O-N 2.96Å; F392-T395 PolarHBondContact O-N 3.04Å; F392-F396 VanDerWaalsContact O-CB 3.3Å; F392-F396 WeakPolarHBondContact O-CB 3.39Å; F392-F396 PolarHBondContact O-N 3.23Å |
| 393 | F | 82.1 | Confident | 72.4 | Confident | 112 Ų | 112 | 107.8 Ų | 107.8 | 49% | 0.491 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.5 | -48 | 172.8 | -178 | -85 | 0 | 0 | 0 | 111.5 | A389 V391 F396 F397 | A389-F393 VanDerWaalsContact O-CB 3.31Å; A389-F393 WeakPolarHBondContact O-CB 3.39Å; A389-F393 PolarHBondContact O-N 2.87Å; V391-F393 VanDerWaalsContact C-N 3.32Å; V391-F393 PolarHBondContact O-N 3.1Å; F393-F396 PolarHBondContact O-N 2.9Å; F393-F397 AromaticContact CD1-CD2 4Å; F393-F397 HydrophobicContact CD1-CD2 4Å; F393-F397 HydrophobicContact CD1-CE2 4.41Å; F393-F397 HydrophobicContact CD2-CD2 4.24Å; F393-F397 AromaticContact CD2-CE2 3.92Å; F393-F397 HydrophobicContact CD2-CE2 3.92Å; F393-F397 AromaticContact CE1-CD2 3.78Å; F393-F397 HydrophobicContact CE1-CD2 3.78Å; F393-F397 HydrophobicContact CE1-CE2 4.01Å; F393-F397 HydrophobicContact CE2-CD2 4.06Å; F393-F397 AromaticContact CE2-CE2 3.49Å; F393-F397 HydrophobicContact CE2-CE2 3.49Å; F393-F397 VanDerWaalsContact CE2-CE2 3.49Å; F393-F397 HydrophobicContact CE2-CZ 4.49Å; F393-F397 HydrophobicContact CG-CD2 4.21Å; F393-F397 HydrophobicContact CG-CE2 4.36Å; F393-F397 AromaticContact CZ-CD2 3.81Å; F393-F397 HydrophobicContact CZ-CD2 3.81Å; F393-F397 AromaticContact CZ-CE2 3.53Å; F393-F397 HydrophobicContact CZ-CE2 3.53Å; F393-F397 HydrophobicContact CZ-CZ 4.47Å; F393-F397 WeakPolarHBondContact O-CD2 3.49Å; F393-F397 PolarHBondContact O-N 3.07Å; F393-F397 VanDerWaalsContact O-N 3.08Å |
| 394 | K | 78.6 | Confident | 71.9 | Confident | 124 Ų | 124 | 109.5 Ų | 109.5 | 54% | 0.539 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.3 | -45.8 | 176.5 | -82.1 | -74.3 | -173.2 | 175 | 0 | 112.4 | W390 V391 S398 | W390-K394 PolarHBondContact O-N 3.39Å; V391-K394 WeakPolarHBondContact O-CB 3.35Å; V391-K394 PolarHBondContact O-N 2.95Å; K394-S398 WeakPolarHBondContact O-CB 3.4Å; K394-S398 PolarHBondContact O-N 3.27Å |
| 395 | T | 76.6 | Confident | 71 | Confident | 87 Ų | 87 | 110.4 Ų | 110.4 | 53% | 0.534 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.4 | -41 | 179.4 | -38.6 | 0 | 0 | 0 | 0 | 111.6 | V391 F392 S398 S399 | V391-T395 PolarHBondContact O-N 2.96Å; V391-T395 PolarHBondContact O-OG1 2.88Å; F392-T395 PolarHBondContact O-N 3.04Å; T395-S398 PolarHBondContact O-N 3.03Å; T395-S399 WeakPolarHBondContact O-CB 3.26Å; T395-S399 PolarHBondContact O-N 2.79Å |
| 396 | F | 77.8 | Confident | 69.7 | Low | 112 Ų | 112 | 113.4 Ų | 113.4 | 49% | 0.491 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.2 | -48.7 | 176.8 | 179.1 | -97.8 | 0 | 0 | 0 | 112 | F392 F393 S398 S399 L400 | F392-F396 VanDerWaalsContact O-CB 3.3Å; F392-F396 WeakPolarHBondContact O-CB 3.39Å; F392-F396 PolarHBondContact O-N 3.23Å; F393-F396 PolarHBondContact O-N 2.9Å; F396-S398 PolarHBondContact O-N 3.44Å; F396-S399 PolarHBondContact O-N 2.89Å; F396-L400 HydrophobicContact CD1-CD1 4.11Å; F396-L400 HydrophobicContact CE1-CD1 3.66Å; F396-L400 HydrophobicContact CZ-CD1 4.18Å; F396-L400 PolarHBondContact O-N 3.35Å |
| 397 | F | 75.1 | Confident | 68.4 | Low | 69 Ų | 69 | 111.4 Ų | 111.4 | 30% | 0.303 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.2 | -28 | 177.3 | -79.6 | -74.1 | 0 | 0 | 0 | 113.7 | L302 F393 S399 L400 | L302-F397 HydrophobicContact CD1-CE1 3.72Å; L302-F397 HydrophobicContact CD1-CZ 3.92Å; F393-F397 AromaticContact CD1-CD2 4Å; F393-F397 HydrophobicContact CD1-CD2 4Å; F393-F397 HydrophobicContact CD1-CE2 4.41Å; F393-F397 HydrophobicContact CD2-CD2 4.24Å; F393-F397 AromaticContact CD2-CE2 3.92Å; F393-F397 HydrophobicContact CD2-CE2 3.92Å; F393-F397 AromaticContact CE1-CD2 3.78Å; F393-F397 HydrophobicContact CE1-CD2 3.78Å; F393-F397 HydrophobicContact CE1-CE2 4.01Å; F393-F397 HydrophobicContact CE2-CD2 4.06Å; F393-F397 AromaticContact CE2-CE2 3.49Å; F393-F397 HydrophobicContact CE2-CE2 3.49Å; F393-F397 VanDerWaalsContact CE2-CE2 3.49Å; F393-F397 HydrophobicContact CE2-CZ 4.49Å; F393-F397 HydrophobicContact CG-CD2 4.21Å; F393-F397 HydrophobicContact CG-CE2 4.36Å; F393-F397 AromaticContact CZ-CD2 3.81Å; F393-F397 HydrophobicContact CZ-CD2 3.81Å; F393-F397 AromaticContact CZ-CE2 3.53Å; F393-F397 HydrophobicContact CZ-CE2 3.53Å; F393-F397 HydrophobicContact CZ-CZ 4.47Å; F393-F397 WeakPolarHBondContact O-CD2 3.49Å; F393-F397 PolarHBondContact O-N 3.07Å; F393-F397 VanDerWaalsContact O-N 3.08Å; F397-S399 VanDerWaalsContact C-N 3.33Å; F397-L400 HydrophobicContact CD1-CD1 3.82Å; F397-L400 HydrophobicContact CE1-CD1 3.94Å; F397-L400 PolarHBondContact O-N 3.43Å |
| 398 | S | 70.2 | Confident | 66.8 | Low | 81 Ų | 81 | 112.9 Ų | 112.9 | 57% | 0.566 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.1 | -36.5 | 169.3 | -160.1 | 0 | 0 | 0 | 0 | 111.8 | K394 T395 F396 L400 I401 | K394-S398 WeakPolarHBondContact O-CB 3.4Å; K394-S398 PolarHBondContact O-N 3.27Å; T395-S398 PolarHBondContact O-N 3.03Å; F396-S398 PolarHBondContact O-N 3.44Å; S398-L400 PolarHBondContact O-N 3.22Å; S398-I401 PolarHBondContact O-N 2.88Å |
| 399 | S | 68.5 | Low | 65 | Low | 102 Ų | 102 | 113.8 Ų | 113.8 | 71% | 0.713 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -11.2 | 177.6 | -171.7 | 0 | 0 | 0 | 0 | 114 | T395 F396 F397 | T395-S399 WeakPolarHBondContact O-CB 3.26Å; T395-S399 PolarHBondContact O-N 2.79Å; F396-S399 PolarHBondContact O-N 2.89Å; F397-S399 VanDerWaalsContact C-N 3.33Å |
| 400 | L | 70.3 | Confident | 63.3 | Low | 99 Ų | 99 | 122.5 Ų | 122.5 | 52% | 0.518 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.2 | -5.3 | 173.7 | -73.1 | 172.3 | 0 | 0 | 0 | 113.2 | F396 F397 S398 P402 | F396-L400 HydrophobicContact CD1-CD1 4.11Å; F396-L400 HydrophobicContact CE1-CD1 3.66Å; F396-L400 HydrophobicContact CZ-CD1 4.18Å; F396-L400 PolarHBondContact O-N 3.35Å; F397-L400 HydrophobicContact CD1-CD1 3.82Å; F397-L400 HydrophobicContact CE1-CD1 3.94Å; F397-L400 PolarHBondContact O-N 3.43Å; S398-L400 PolarHBondContact O-N 3.22Å; L400-P402 WeakPolarHBondContact O-CD 3.44Å |
| 401 | I | 66.4 | Low | 62.4 | Low | 126 Ų | 126 | 121.6 Ų | 121.6 | 65% | 0.646 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -98.7 | 107.9 | 171.2 | -58.5 | 170.1 | 0 | 0 | 0 | 106.7 | S398 E403 | S398-I401 PolarHBondContact O-N 2.88Å; I401-E403 PolarHBondContact O-N 2.98Å |
| 402 | P | 50.1 | Low | 61.2 | Low | 104 Ų | 104 | 124.5 Ų | 124.5 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | trans | -66.6 | 126.5 | 172.9 | 27.5 | -32.7 | 0 | 0 | 0 | 109.1 | L400 V404 | L400-P402 WeakPolarHBondContact O-CD 3.44Å; P402-V404 PolarHBondContact O-N 3.31Å | ||
| 403 | E | 53.9 | Low | 60 | Low | 192 Ų | 192 | 122.8 Ų | 122.8 | 90% | 0.897 | 70% | 0.695 | S | S | * | * | trans | -62.5 | 106.7 | 167.9 | -73 | -167.2 | 139.8 | 0 | 0 | 108.8 | I401 A405 | I401-E403 PolarHBondContact O-N 2.98Å; E403-A405 VanDerWaalsContact C-N 3.3Å; E403-A405 PolarHBondContact O-N 3.42Å | ||
| 404 | V | 49.5 | Very low | 58.7 | Low | 130 Ų | 130 | 123.5 Ų | 123.5 | 79% | 0.788 | 71% | 0.707 | S | S | * | * | trans | -69.6 | 95.4 | 167.2 | 178.8 | 0 | 0 | 0 | 0 | 106.6 | P402 Q406 | P402-V404 PolarHBondContact O-N 3.31Å; V404-Q406 PolarHBondContact O-N 2.85Å | ||
| 405 | A | 45.2 | Very low | 57.4 | Low | 89 Ų | 89 | 123.4 Ų | 123.4 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | trans | -50.7 | 113.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | E403 G407 | E403-A405 VanDerWaalsContact C-N 3.3Å; E403-A405 PolarHBondContact O-N 3.42Å; A405-G407 PolarHBondContact O-N 2.76Å | ||
| 406 | Q | 45.4 | Very low | 56.2 | Low | 189 Ų | 189 | 125.9 Ų | 125.9 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | trans | -66.3 | 103.3 | 175.6 | -68.3 | -172.6 | -78.8 | 0 | 0 | 108 | V404 M408 | V404-Q406 PolarHBondContact O-N 2.85Å; Q406-M408 PolarHBondContact O-N 3.23Å | ||
| 407 | G | 44.3 | Very low | 54.6 | Low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | trans | -56.5 | 126.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A405 A409 | A405-G407 PolarHBondContact O-N 2.76Å; G407-A409 PolarHBondContact O-N 3.1Å; G407-A409 VanDerWaalsContact O-N 3.12Å | ||
| 408 | M | 40.9 | Very low | 53.1 | Low | 190 Ų | 190 | 131.3 Ų | 131.3 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | trans | -62.1 | 114.8 | 173.2 | -70.9 | -177.1 | 173.6 | 0 | 0 | 109.1 | Q406 | Q406-M408 PolarHBondContact O-N 3.23Š| ||
| 409 | A | 44.2 | Very low | 51.6 | Low | 95 Ų | 95 | 135.5 Ų | 135.5 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -87.1 | 118 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109 | G407 | G407-A409 PolarHBondContact O-N 3.1Å; G407-A409 VanDerWaalsContact O-N 3.12Å | ||
| 410 | N | 40.9 | Very low | 50.1 | Low | 239 Ų | 239 | 138.5 Ų | 138.5 | 100% | 1.278 | 81% | 0.807 | S | S | * | * | trans | -155.3 | 0 | 164.1 | -96.2 | -28.1 | 0 | 0 | 0 | 107.5 |
Retrieved 410 of 410 residues in 167.7 ms
(Link to these results)