| 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 | 37.8 | Very low | 51.6 | Low | 243 Ų | 243 | 120.2 Ų | 120.2 | 100% | 1.197 | 55% | 0.545 | S | S | * | . | 0 | 118.5 | 0 | -84.6 | 174.4 | 155.3 | 0 | 0 | 109.4 | K3 | M1-K3 PolarHBondContact O-N 2.94Š| |||
| 2 | K | 45.9 | Very low | 52.3 | Low | 169 Ų | 169 | 119.5 Ų | 119.5 | 74% | 0.735 | 55% | 0.547 | S | S | * | . | trans | -66.1 | 110.4 | 173.5 | -76.9 | 178.5 | 179.1 | 172.8 | 0 | 108.5 | R4 E56 | K2-R4 PolarHBondContact O-N 3.04Å; K2-E56 IonicContact NZ-OE2 2.81Å | ||
| 3 | K | 40.8 | Very low | 52.9 | Low | 149 Ų | 149 | 119.4 Ų | 119.4 | 65% | 0.648 | 56% | 0.564 | S | S | * | * | trans | -59 | 119.7 | 165.8 | -80.9 | -166.2 | 171.5 | -156.7 | 0 | 107.4 | M1 Y5 E224 | M1-K3 PolarHBondContact O-N 2.94Å; K3-Y5 HydrophobicContact CB-CE2 3.92Å; K3-Y5 HydrophobicContact CD-CE2 4.31Å; K3-E224 IonicContact NZ-OE1 3.91Å; K3-E224 PolarHBondContact NZ-OE1 3.47Å | ||
| 4 | R | 44.5 | Very low | 53.7 | Low | 191 Ų | 191 | 114.2 Ų | 114.2 | 72% | 0.721 | 54% | 0.544 | S | S | * | . | trans | -104.4 | 105.1 | -179.8 | -158.2 | 172.2 | -171.8 | 154.5 | -0.5 | 107.2 | K2 S225 | K2-R4 PolarHBondContact O-N 3.04Å; R4-S225 WeakPolarHBondContact O-CB 3.45Å; R4-S225 PolarHBondContact O-N 3.31Å; R4-S225 VanDerWaalsContact O-N 3.14Å; R4-S225 PolarHBondContact O-OG 2.93Å | ||
| 5 | Y | 47.8 | Very low | 54.6 | Low | 100 Ų | 100 | 109.9 Ų | 109.9 | 39% | 0.392 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 130.2 | 171.3 | -64.6 | -90.5 | 0 | 0 | 0 | 107.8 | K3 R223 E224 | K3-Y5 HydrophobicContact CB-CE2 3.92Å; K3-Y5 HydrophobicContact CD-CE2 4.31Å; Y5-R223 WeakPolarHBondContact CA-O 3.33Å; Y5-E224 HydrophobicContact CD1-CG 3.71Å; Y5-E224 HydrophobicContact CE1-CG 3.28Å; Y5-E224 PolarHBondContact OH-OE1 2.87Å |
| 6 | Q | 53.8 | Low | 55.7 | Low | 135 Ų | 135 | 111.4 Ų | 111.4 | 63% | 0.631 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.4 | 109.9 | 170 | -156.1 | 172.7 | 1.6 | 0 | 0 | 106.7 | R223 | Q6-R223 PolarHBondContact N-O 2.84Å; Q6-R223 PolarHBondContact O-N 2.99Å |
| 7 | F | 60.8 | Low | 56.4 | Low | 31 Ų | 31 | 107.7 Ų | 107.7 | 14% | 0.136 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -92 | 139.6 | 175.3 | 168.1 | -113.9 | 0 | 0 | 0 | 109.2 | Y9 A82 L181 L184 V220 V221 L222 | F7-Y9 VanDerWaalsContact CZ-CA 3.5Å; F7-Y9 VanDerWaalsContact CZ-CB 3.44Å; F7-Y9 AromaticContact CZ-CD2 3.97Å; F7-Y9 HydrophobicContact CZ-CD2 3.97Å; F7-Y9 HydrophobicContact CZ-CG 4.2Å; F7-A82 HydrophobicContact CD1-CB 4.25Å; F7-L181 HydrophobicContact CD1-CD1 3.77Å; F7-L181 HydrophobicContact CD2-CD1 3.83Å; F7-L181 HydrophobicContact CD2-CD2 4.38Å; F7-L181 HydrophobicContact CE1-CD1 3.48Å; F7-L181 VanDerWaalsContact CE1-CD1 3.48Å; F7-L181 HydrophobicContact CE2-CD1 3.61Å; F7-L181 HydrophobicContact CE2-CG 4.45Å; F7-L181 HydrophobicContact CG-CD1 3.91Å; F7-L181 HydrophobicContact CZ-CD1 3.38Å; F7-L184 HydrophobicContact CE1-CD1 3.91Å; F7-L184 HydrophobicContact CZ-CD1 4.06Å; F7-V220 HydrophobicContact CD2-CG1 3.88Å; F7-V220 HydrophobicContact CE2-CB 3.74Å; F7-V220 HydrophobicContact CE2-CG1 3.27Å; F7-V220 HydrophobicContact CE2-CG2 3.93Å; F7-V220 HydrophobicContact CZ-CB 4.32Å; F7-V220 HydrophobicContact CZ-CG1 4.07Å; F7-V220 HydrophobicContact CZ-CG2 3.99Å; F7-V221 WeakPolarHBondContact CD2-O 3.47Å; F7-L222 HydrophobicContact CB-CD2 4.02Å; F7-L222 HydrophobicContact CD2-CD2 4.04Å; F7-L222 HydrophobicContact CG-CD2 4.4Å |
| 8 | T | 55.4 | Low | 56.8 | Low | 82 Ų | 82 | 105.9 Ų | 105.9 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 111.4 | 168 | -42.6 | 0 | 0 | 0 | 0 | 108.5 | V221 | T8-V221 PolarHBondContact N-O 3.45Å; T8-V221 PolarHBondContact O-N 2.8Å |
| 9 | Y | 58.5 | Low | 57.2 | Low | 14 Ų | 14 | 102.8 Ų | 102.8 | 6% | 0.055 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 119.9 | 160.3 | -164.9 | -99.8 | 0 | 0 | 0 | 106.4 | F7 D11 M86 W90 L184 P185 D188 T219 V220 | F7-Y9 VanDerWaalsContact CZ-CA 3.5Å; F7-Y9 VanDerWaalsContact CZ-CB 3.44Å; F7-Y9 AromaticContact CZ-CD2 3.97Å; F7-Y9 HydrophobicContact CZ-CD2 3.97Å; F7-Y9 HydrophobicContact CZ-CG 4.2Å; Y9-D11 PolarHBondContact O-N 3.42Å; Y9-M86 HydrophobicContact CD1-CG 3.97Å; Y9-M86 HydrophobicContact CD1-SD 4.31Å; Y9-M86 HydrophobicContact CG-CG 4.23Å; Y9-W90 HydrophobicContact CD1-CH2 4.18Å; Y9-W90 HydrophobicContact CD1-CZ2 4.01Å; Y9-W90 AromaticContact CE1-CH2 3.59Å; Y9-W90 HydrophobicContact CE1-CH2 3.59Å; Y9-W90 AromaticContact CE1-CZ2 3.48Å; Y9-W90 HydrophobicContact CE1-CZ2 3.48Å; Y9-W90 VanDerWaalsContact CE1-CZ2 3.48Å; Y9-W90 HydrophobicContact CE2-CH2 4.41Å; Y9-W90 AromaticContact CZ-CH2 3.71Å; Y9-L184 HydrophobicContact CD2-CB 3.99Å; Y9-L184 HydrophobicContact CD2-CD1 3.97Å; Y9-L184 HydrophobicContact CE2-CB 3.69Å; Y9-L184 HydrophobicContact CG-CD1 4.45Å; Y9-P185 HydrophobicContact CE2-CG 4.33Å; Y9-D188 WeakPolarHBondContact OH-CB 3.48Å; Y9-D188 PolarHBondContact OH-OD2 2.91Å; Y9-T219 HydrophobicContact CD1-CG2 4.17Å; Y9-T219 HydrophobicContact CD2-CG2 3.77Å; Y9-T219 HydrophobicContact CE1-CG2 3.71Å; Y9-T219 HydrophobicContact CE2-CG2 3.29Å; Y9-T219 HydrophobicContact CG-CG2 4.2Å; Y9-V220 HydrophobicContact CD2-CG2 4.05Å; Y9-V220 HydrophobicContact CE2-CG2 4.34Å |
| 10 | K | 61.2 | Low | 57.5 | Low | 137 Ų | 137 | 99.7 Ų | 99.7 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | trans | -73.5 | 98.2 | 170 | -73.4 | -173.5 | 179.7 | -179 | 0 | 107.6 | I12 T219 | K10-I12 VanDerWaalsContact C-N 3.28Å; K10-I12 HydrophobicContact CB-CG1 4.48Å; K10-I12 PolarHBondContact O-N 3.07Å; K10-T219 PolarHBondContact N-O 2.63Å | ||
| 11 | D | 60.9 | Low | 57.8 | Low | 71 Ų | 71 | 100.8 Ų | 100.8 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | trans | -68.5 | 90.9 | 168.1 | -161.9 | 1.6 | 0 | 0 | 0 | 107.1 | Y9 P13 | Y9-D11 PolarHBondContact O-N 3.42Å; D11-P13 VanDerWaalsContact O-CD 3.32Å; D11-P13 WeakPolarHBondContact O-CD 3.43Å | ||
| 12 | I | 60.2 | Low | 58.9 | Low | 112 Ų | 112 | 91 Ų | 91 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 119.7 | -176.1 | -61.9 | 172.9 | 0 | 0 | 0 | 106.9 | K10 V14 | K10-I12 VanDerWaalsContact C-N 3.28Å; K10-I12 HydrophobicContact CB-CG1 4.48Å; K10-I12 PolarHBondContact O-N 3.07Å; I12-V14 PolarHBondContact O-N 3.27Å; I12-V14 VanDerWaalsContact O-N 3.15Å |
| 13 | P | 60.5 | Low | 59.9 | Low | 118 Ų | 118 | 90.6 Ų | 90.6 | 77% | 0.766 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 125.7 | -179.9 | -25.9 | 34.3 | 0 | 0 | 0 | 110.5 | D11 G15 | D11-P13 VanDerWaalsContact O-CD 3.32Å; D11-P13 WeakPolarHBondContact O-CD 3.43Å; P13-G15 PolarHBondContact O-N 2.91Å |
| 14 | V | 63.5 | Low | 61.1 | Low | 47 Ų | 47 | 91.2 Ų | 91.2 | 29% | 0.285 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -66 | 122.6 | 178 | -176.1 | 0 | 0 | 0 | 0 | 107.9 | I12 L18 S19 L22 F192 | I12-V14 PolarHBondContact O-N 3.27Å; I12-V14 VanDerWaalsContact O-N 3.15Å; V14-L18 HydrophobicContact CG1-CB 3.5Å; V14-L18 VanDerWaalsContact CG1-CB 3.5Å; V14-L18 HydrophobicContact CG1-CD2 3.84Å; V14-L18 HydrophobicContact CG1-CG 3.98Å; V14-S19 VanDerWaalsContact CG1-N 3.3Å; V14-L22 HydrophobicContact CG1-CD1 4.32Å; V14-L22 HydrophobicContact CG2-CD1 4.35Å; V14-F192 HydrophobicContact CG1-CE1 4.41Å; V14-F192 HydrophobicContact CG2-CZ 4.22Å |
| 15 | G | 67.7 | Low | 62.2 | Low | 49 Ų | 49 | 85.2 Ų | 85.2 | 51% | 0.505 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 149.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P13 G17 L18 S19 | P13-G15 PolarHBondContact O-N 2.91Å; G15-G17 PolarHBondContact O-N 3.42Å; G15-G17 VanDerWaalsContact O-N 3.07Å; G15-L18 PolarHBondContact O-N 3.35Å; G15-S19 PolarHBondContact O-N 2.95Å |
| 16 | T | 71.5 | Confident | 63.5 | Low | 134 Ų | 134 | 87 Ų | 87 | 82% | 0.822 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -50.1 | -40.9 | -172.1 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | S19 A20 | T16-S19 PolarHBondContact O-N 3.15Å; T16-A20 WeakPolarHBondContact O-CB 3.48Å; T16-A20 PolarHBondContact O-N 3.27Å |
| 17 | G | 67.4 | Low | 65 | Low | 49 Ų | 49 | 84.8 Ų | 84.8 | 51% | 0.505 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G15 A20 Q21 | G15-G17 PolarHBondContact O-N 3.42Å; G15-G17 VanDerWaalsContact O-N 3.07Å; G17-A20 PolarHBondContact O-N 2.92Å; G17-Q21 WeakPolarHBondContact O-CG 3.32Å; G17-Q21 PolarHBondContact O-N 3.46Å |
| 18 | L | 64.9 | Low | 66.6 | Low | 75 Ų | 75 | 83.7 Ų | 83.7 | 39% | 0.393 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -75.1 | -30.6 | 179.8 | -154.8 | 86 | 0 | 0 | 0 | 110.8 | V14 G15 Q21 L22 F192 | V14-L18 HydrophobicContact CG1-CB 3.5Å; V14-L18 VanDerWaalsContact CG1-CB 3.5Å; V14-L18 HydrophobicContact CG1-CD2 3.84Å; V14-L18 HydrophobicContact CG1-CG 3.98Å; G15-L18 PolarHBondContact O-N 3.35Å; L18-Q21 PolarHBondContact O-N 3.19Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 3.44Å; L18-F192 HydrophobicContact CD2-CD1 3.73Å; L18-F192 HydrophobicContact CD2-CE1 3.32Å; L18-F192 HydrophobicContact CD2-CZ 3.84Å; L18-F192 HydrophobicContact CG-CD1 4.02Å; L18-F192 HydrophobicContact CG-CE1 3.83Å |
| 19 | S | 63.6 | Low | 68.6 | Low | 48 Ų | 48 | 80.5 Ų | 80.5 | 34% | 0.336 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 172.1 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | V14 G15 T16 Q21 L22 Q23 | V14-S19 VanDerWaalsContact CG1-N 3.3Å; G15-S19 PolarHBondContact O-N 2.95Å; T16-S19 PolarHBondContact O-N 3.15Å; S19-Q21 VanDerWaalsContact C-N 3.34Å; S19-L22 PolarHBondContact O-N 3.14Å; S19-Q23 WeakPolarHBondContact O-CG 3.49Å; S19-Q23 PolarHBondContact O-N 3.02Å |
| 20 | A | 63.1 | Low | 70.5 | Confident | 40 Ų | 40 | 79.8 Ų | 79.8 | 33% | 0.331 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | T16 G17 L22 Q23 H24 | T16-A20 WeakPolarHBondContact O-CB 3.48Å; T16-A20 PolarHBondContact O-N 3.27Å; G17-A20 PolarHBondContact O-N 2.92Å; A20-L22 PolarHBondContact O-N 3.44Å; A20-Q23 WeakPolarHBondContact O-CB 3.44Å; A20-Q23 PolarHBondContact O-N 2.73Å; A20-H24 PolarHBondContact O-N 3.36Å; A20-H24 PolarHBondContact O-ND1 3.17Å |
| 21 | Q | 63.7 | Low | 72.3 | Confident | 123 Ų | 123 | 73.3 Ų | 73.3 | 58% | 0.575 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60 | -44 | 173.6 | -73.9 | 179.3 | -33.6 | 0 | 0 | 112.2 | G17 L18 S19 Q23 H24 V25 | G17-Q21 WeakPolarHBondContact O-CG 3.32Å; G17-Q21 PolarHBondContact O-N 3.46Å; L18-Q21 PolarHBondContact O-N 3.19Å; S19-Q21 VanDerWaalsContact C-N 3.34Å; Q21-Q23 VanDerWaalsContact C-N 3.27Å; Q21-Q23 PolarHBondContact O-N 2.92Å; Q21-H24 PolarHBondContact O-N 3.26Å; Q21-V25 WeakPolarHBondContact O-CG2 3.2Å; Q21-V25 PolarHBondContact O-N 3.21Å |
| 22 | L | 61.9 | Low | 74.1 | Confident | 37 Ų | 37 | 69.9 Ų | 69.9 | 19% | 0.194 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62 | -31.9 | 175.9 | -77.6 | 179.5 | 0 | 0 | 0 | 113.2 | V14 L18 S19 A20 H24 V25 F192 | V14-L22 HydrophobicContact CG1-CD1 4.32Å; V14-L22 HydrophobicContact CG2-CD1 4.35Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 3.44Å; S19-L22 PolarHBondContact O-N 3.14Å; A20-L22 PolarHBondContact O-N 3.44Å; L22-H24 PolarHBondContact O-N 3.22Å; L22-V25 CarbonylContact O-C 3.56Å; L22-V25 PolarHBondContact O-N 3.46Å; L22-F192 HydrophobicContact CD1-CD1 4.3Å; L22-F192 HydrophobicContact CD1-CE1 3.48Å; L22-F192 VanDerWaalsContact CD1-CE1 3.48Å; L22-F192 HydrophobicContact CD1-CZ 4.08Å; L22-F192 HydrophobicContact CD2-CD1 3.74Å; L22-F192 HydrophobicContact CD2-CE1 3.77Å; L22-F192 HydrophobicContact CG-CD1 4.03Å; L22-F192 HydrophobicContact CG-CE1 3.67Å |
| 23 | Q | 65.1 | Low | 76 | Confident | 160 Ų | 160 | 65.1 Ų | 65.1 | 75% | 0.748 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.3 | -27.1 | 174 | -73.1 | 177.7 | -18.7 | 0 | 0 | 112.7 | S19 A20 Q21 | S19-Q23 WeakPolarHBondContact O-CG 3.49Å; S19-Q23 PolarHBondContact O-N 3.02Å; A20-Q23 WeakPolarHBondContact O-CB 3.44Å; A20-Q23 PolarHBondContact O-N 2.73Å; Q21-Q23 VanDerWaalsContact C-N 3.27Å; Q21-Q23 PolarHBondContact O-N 2.92Å |
| 24 | H | 66.7 | Low | 77.8 | Confident | 163 Ų | 163 | 59.5 Ų | 59.5 | 76% | 0.755 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -87.4 | -18.3 | 175.7 | -65 | 80.3 | 0 | 0 | 0 | 112.6 | A20 Q21 L22 | A20-H24 PolarHBondContact O-N 3.36Å; A20-H24 PolarHBondContact O-ND1 3.17Å; Q21-H24 PolarHBondContact O-N 3.26Å; L22-H24 PolarHBondContact O-N 3.22Å |
| 25 | V | 67.2 | Low | 79.4 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -97.6 | 105.2 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | Q21 L22 T27 | Q21-V25 WeakPolarHBondContact O-CG2 3.2Å; Q21-V25 PolarHBondContact O-N 3.21Å; L22-V25 CarbonylContact O-C 3.56Å; L22-V25 PolarHBondContact O-N 3.46Å; V25-T27 PolarHBondContact O-N 3.05Å |
| 26 | Q | 75.3 | Confident | 80.8 | Confident | 139 Ų | 139 | 58.6 Ų | 58.6 | 65% | 0.65 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 140.4 | 179.4 | 179.1 | -158.3 | 4.9 | 0 | 0 | 110.8 | K28 R147 | Q26-K28 PolarHBondContact O-N 3.42Å; Q26-R147 PolarHBondContact O-NH2 2.73Å |
| 27 | T | 86.6 | Confident | 82.1 | Confident | 87 Ų | 87 | 52.2 Ų | 52.2 | 53% | 0.534 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -49.3 | 131.1 | -174.4 | -49.4 | 0 | 0 | 0 | 0 | 113 | V25 R147 | V25-T27 PolarHBondContact O-N 3.05Å; T27-R147 PolarHBondContact O-NH2 3.26Å |
| 28 | K | 94.2 | Very high | 83.6 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 161.8 | 176.7 | -72.6 | -174.9 | -179.7 | 57.5 | 0 | 111.3 | Q26 Y91 L92 R147 L190 R191 C193 V196 | Q26-K28 PolarHBondContact O-N 3.42Å; K28-Y91 HydrophobicContact CB-CD1 3.59Å; K28-Y91 HydrophobicContact CB-CE1 3.59Å; K28-Y91 HydrophobicContact CD-CE1 4.3Å; K28-Y91 WeakPolarHBondContact O-CA 3.48Å; K28-L92 PolarHBondContact O-N 2.96Å; K28-R147 CarbonylContact C-O 3.55Å; K28-R147 VanDerWaalsContact CA-O 3.32Å; K28-R147 WeakPolarHBondContact CA-O 3.39Å; K28-R147 VanDerWaalsContact CB-O 3.23Å; K28-R147 WeakPolarHBondContact CB-O 3.48Å; K28-R147 HydrophobicContact CG-CB 4.47Å; K28-L190 WeakPolarHBondContact CE-O 3.4Å; K28-R191 PolarHBondContact NZ-O 2.92Å; K28-C193 WeakPolarHBondContact CE-O 3.4Å; K28-C193 PolarHBondContact NZ-O 2.88Å; K28-V196 HydrophobicContact CD-CG1 3.66Å |
| 29 | I | 97.6 | Very high | 85.2 | Confident | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.6 | -177.5 | -54.6 | 175.8 | 0 | 0 | 0 | 108.9 | V31 L92 V94 I141 C142 R147 I148 C149 | I29-V31 HydrophobicContact CG2-CG2 4.34Å; I29-L92 WeakPolarHBondContact CA-O 3.48Å; I29-L92 HydrophobicContact CG1-CB 4.38Å; I29-L92 HydrophobicContact CG1-CD2 4.32Å; I29-V94 HydrophobicContact CG2-CG2 3.71Å; I29-I141 HydrophobicContact CD1-CG2 4.04Å; I29-I141 HydrophobicContact CG2-CG2 4.01Å; I29-C142 HydrophobicContact CD1-CB 3.66Å; I29-R147 PolarHBondContact N-O 3Å; I29-I148 HydrophobicContact CB-CB 4.14Å; I29-I148 HydrophobicContact CB-CD1 4.27Å; I29-I148 HydrophobicContact CB-CG1 4Å; I29-I148 HydrophobicContact CG2-CD1 3.98Å; I29-I148 HydrophobicContact CG2-CG1 4.05Å; I29-I148 WeakPolarHBondContact O-CA 3.31Å; I29-C149 PolarHBondContact O-N 3.38Å |
| 30 | L | 98.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 110.4 | 173 | -176.3 | 63.6 | 0 | 0 | 0 | 108.8 | L32 F83 V87 Y91 L92 L93 V94 C149 I151 L187 | L30-L32 HydrophobicContact CD2-CD2 3.92Å; L30-L32 HydrophobicContact CG-CD2 3.84Å; L30-L32 HydrophobicContact CG-CG 4.27Å; L30-F83 HydrophobicContact CD2-CZ 4.42Å; L30-V87 HydrophobicContact CD2-CB 3.87Å; L30-V87 HydrophobicContact CD2-CG1 4.12Å; L30-V87 HydrophobicContact CD2-CG2 4.01Å; L30-Y91 HydrophobicContact CB-CD1 3.94Å; L30-Y91 HydrophobicContact CB-CD2 4.37Å; L30-Y91 HydrophobicContact CB-CG 3.75Å; L30-Y91 HydrophobicContact CD2-CD2 4.31Å; L30-Y91 HydrophobicContact CD2-CG 4.5Å; L30-L92 PolarHBondContact N-O 3.24Å; L30-L93 HydrophobicContact CB-CD2 3.98Å; L30-L93 HydrophobicContact CD2-CD2 4.16Å; L30-L93 HydrophobicContact CG-CD2 4.49Å; L30-L93 WeakPolarHBondContact O-CA 3.34Å; L30-V94 PolarHBondContact O-N 3.25Å; L30-C149 VanDerWaalsContact CD1-SG 3.51Å; L30-I151 HydrophobicContact CD1-CD1 3.77Å; L30-I151 HydrophobicContact CD1-CG1 4.02Å; L30-I151 HydrophobicContact CD2-CD1 4.16Å; L30-I151 HydrophobicContact CG-CD1 4.34Å; L30-L187 HydrophobicContact CD1-CD2 4.22Å; L30-L187 HydrophobicContact CD2-CD1 4.2Å |
| 31 | V | 98.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 129.5 | 174.2 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | I29 V94 Y96 L138 I141 I148 C149 I150 I151 | I29-V31 HydrophobicContact CG2-CG2 4.34Å; V31-V94 CarbonylContact C-O 3.55Å; V31-V94 VanDerWaalsContact CA-O 3.3Å; V31-V94 WeakPolarHBondContact CA-O 3.27Å; V31-V94 HydrophobicContact CG2-CB 4.37Å; V31-Y96 HydrophobicContact CG1-CD1 4.17Å; V31-Y96 HydrophobicContact CG1-CG 4.32Å; V31-L138 HydrophobicContact CG2-CD2 4.1Å; V31-I141 HydrophobicContact CG1-CD1 4.37Å; V31-I141 HydrophobicContact CG2-CD1 3.63Å; V31-I148 HydrophobicContact CG2-CD1 3.65Å; V31-I148 HydrophobicContact CG2-CG1 3.76Å; V31-C149 PolarHBondContact N-O 3.47Å; V31-I150 HydrophobicContact CB-CB 3.96Å; V31-I150 HydrophobicContact CB-CD1 4.41Å; V31-I150 HydrophobicContact CB-CG1 3.95Å; V31-I150 HydrophobicContact CG1-CB 4.43Å; V31-I150 HydrophobicContact CG1-CD1 3.94Å; V31-I150 HydrophobicContact CG1-CG1 3.94Å; V31-I150 CarbonylContact O-C 3.54Å; V31-I150 WeakPolarHBondContact O-CA 3.42Å; V31-I151 PolarHBondContact O-N 2.54Å |
| 32 | L | 98.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.7 | -177.8 | -60.1 | 172.8 | 0 | 0 | 0 | 109.3 | L30 L38 F83 L84 L93 V94 I95 Y96 I151 | L30-L32 HydrophobicContact CD2-CD2 3.92Å; L30-L32 HydrophobicContact CG-CD2 3.84Å; L30-L32 HydrophobicContact CG-CG 4.27Å; L32-L38 HydrophobicContact CB-CD1 4.12Å; L32-L38 HydrophobicContact CD1-CD1 4.31Å; L32-F83 HydrophobicContact CD1-CE1 4.37Å; L32-F83 HydrophobicContact CD2-CE1 3.96Å; L32-F83 HydrophobicContact CD2-CZ 4.21Å; L32-L84 HydrophobicContact CD1-CD2 3.74Å; L32-L93 HydrophobicContact CD1-CD1 4.46Å; L32-L93 HydrophobicContact CD1-CD2 4.47Å; L32-V94 PolarHBondContact N-O 3.03Å; L32-I95 HydrophobicContact CB-CD1 4.05Å; L32-I95 WeakPolarHBondContact O-CA 3.21Å; L32-Y96 PolarHBondContact O-N 3.34Å; L32-I151 HydrophobicContact CD2-CB 4.13Å; L32-I151 HydrophobicContact CD2-CD1 3.85Å; L32-I151 HydrophobicContact CD2-CG1 4.43Å |
| 33 | D | 98.7 | Very high | 91 | Very high | 11 Ų | 11 | 42.7 Ų | 42.7 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | trans | -72.7 | 166.5 | 163.4 | -173.7 | 49.8 | 0 | 0 | 0 | 111.8 | T37 L38 K136 I151 D152 N153 | D33-T37 HydrophobicContact CB-CG2 4.09Å; D33-T37 PolarHBondContact OD2-OG1 3.18Å; D33-T37 VanDerWaalsContact OD2-OG1 3.13Å; D33-L38 WeakPolarHBondContact O-CD1 3.15Å; D33-L38 VanDerWaalsContact O-CG 3.26Å; D33-L38 WeakPolarHBondContact O-CG 3.42Å; D33-K136 IonicContact OD1-NZ 2.68Å; D33-K136 PolarHBondContact OD1-NZ 3.03Å; D33-I151 PolarHBondContact N-O 3.05Å; D33-I151 VanDerWaalsContact N-O 3.12Å; D33-D152 HydrophobicContact CB-CB 4.15Å; D33-D152 WeakPolarHBondContact CB-OD2 3.47Å; D33-N153 PolarHBondContact OD2-OD1 2.83Å | ||
| 34 | L | 98.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -105.2 | -70 | 179.9 | -71.1 | -177.6 | 0 | 0 | 0 | 112.6 | T37 L38 V39 I95 T97 A104 I108 L111 | L34-T37 PolarHBondContact O-N 3.5Å; L34-L38 HydrophobicContact CD2-CD1 4.22Å; L34-L38 PolarHBondContact O-N 3.4Å; L34-V39 PolarHBondContact O-N 3.39Å; L34-I95 HydrophobicContact CD1-CG2 3.96Å; L34-I95 HydrophobicContact CD2-CD1 3.97Å; L34-I95 HydrophobicContact CD2-CG2 3.87Å; L34-I95 HydrophobicContact CG-CG2 3.72Å; L34-T97 HydrophobicContact CD1-CG2 3.84Å; L34-T97 HydrophobicContact CG-CG2 4.39Å; L34-A104 HydrophobicContact CD1-CB 3.8Å; L34-I108 HydrophobicContact CD1-CD1 4.01Å; L34-I108 HydrophobicContact CD1-CG1 3.7Å; L34-I108 HydrophobicContact CD2-CG1 4.08Å; L34-I108 HydrophobicContact CG-CG1 4.48Å; L34-L111 HydrophobicContact CD2-CD1 4.03Å | ||
| 35 | D | 97.8 | Very high | 92.6 | Very high | 23 Ų | 23 | 39.2 Ų | 39.2 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -73 | 136.1 | -168.7 | -62.4 | -56.6 | 0 | 0 | 0 | 110.8 | T37 Y103 | D35-T37 PolarHBondContact O-N 3.36Å; D35-Y103 VanDerWaalsContact OD1-CE1 3.31Å; D35-Y103 WeakPolarHBondContact OD1-CE1 3.3Å; D35-Y103 VanDerWaalsContact OD1-CZ 3.24Å; D35-Y103 PolarHBondContact OD1-OH 2.89Å; D35-Y103 VanDerWaalsContact OD2-CE1 3.25Å; D35-Y103 WeakPolarHBondContact OD2-CE1 3.38Å |
| 36 | E | 97.6 | Very high | 93.2 | Very high | 55 Ų | 55 | 37.7 Ų | 37.7 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 0.7 | -172 | -64.8 | 71.3 | -129.4 | 0 | 0 | 115.6 | V39 H40 N153 E170 W171 T172 | E36-V39 WeakPolarHBondContact CA-O 3.31Å; E36-V39 PolarHBondContact N-O 3.35Å; E36-H40 IonicContact OE1-CE1 3.25Å; E36-H40 IonicContact OE1-ND1 2.89Å; E36-H40 PolarHBondContact OE1-ND1 3.18Å; E36-N153 WeakPolarHBondContact CB-ND2 3.36Å; E36-E170 HydrophobicContact CB-CG 3.61Å; E36-E170 HydrophobicContact CG-CG 3.72Å; E36-W171 PolarHBondContact O-N 3.49Å; E36-T172 HydrophobicContact CG-CG2 4.38Å |
| 37 | T | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -62.5 | 179.1 | -68.5 | 0 | 0 | 0 | 0 | 111.4 | D33 L34 D35 R77 I151 N153 I168 | D33-T37 HydrophobicContact CB-CG2 4.09Å; D33-T37 PolarHBondContact OD2-OG1 3.18Å; D33-T37 VanDerWaalsContact OD2-OG1 3.13Å; L34-T37 PolarHBondContact O-N 3.5Å; D35-T37 PolarHBondContact O-N 3.36Å; T37-R77 WeakPolarHBondContact O-CD 3.45Å; T37-R77 PolarHBondContact O-NH1 3.14Å; T37-I151 HydrophobicContact CG2-CG2 4.08Å; T37-N153 PolarHBondContact OG1-N 2.93Å; T37-N153 PolarHBondContact OG1-OD1 2.81Å; T37-N153 VanDerWaalsContact OG1-OD1 3.07Å; T37-I168 HydrophobicContact CG2-CG2 4.08Å |
| 38 | L | 98.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -29.8 | 178.1 | -62.3 | -175.1 | 0 | 0 | 0 | 112.6 | L32 D33 L34 R77 V80 F83 I95 L111 L180 | L32-L38 HydrophobicContact CB-CD1 4.12Å; L32-L38 HydrophobicContact CD1-CD1 4.31Å; D33-L38 WeakPolarHBondContact O-CD1 3.15Å; D33-L38 VanDerWaalsContact O-CG 3.26Å; D33-L38 WeakPolarHBondContact O-CG 3.42Å; L34-L38 HydrophobicContact CD2-CD1 4.22Å; L34-L38 PolarHBondContact O-N 3.4Å; L38-R77 WeakPolarHBondContact O-CB 2.98Å; L38-R77 PolarHBondContact O-N 3.21Å; L38-V80 HydrophobicContact CB-CG2 4Å; L38-V80 HydrophobicContact CD2-CG2 3.96Å; L38-V80 HydrophobicContact CG-CG2 4.42Å; L38-F83 HydrophobicContact CD2-CD1 4.46Å; L38-F83 HydrophobicContact CD2-CE1 4.33Å; L38-I95 HydrophobicContact CD1-CD1 4.25Å; L38-L111 HydrophobicContact CB-CD1 4.26Å; L38-L111 HydrophobicContact CD1-CD1 4.21Å; L38-L180 HydrophobicContact CD2-CD1 4.24Å; L38-L180 HydrophobicContact CD2-CD2 4.02Å |
| 39 | V | 98.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 169.6 | -179.4 | -62.3 | 0 | 0 | 0 | 0 | 110.6 | L34 E36 V74 Y75 I107 M110 L111 | L34-V39 PolarHBondContact O-N 3.39Å; E36-V39 WeakPolarHBondContact CA-O 3.31Å; E36-V39 PolarHBondContact N-O 3.35Å; V39-V74 HydrophobicContact CB-CG1 3.82Å; V39-V74 HydrophobicContact CG1-CG1 4.08Å; V39-V74 HydrophobicContact CG2-CG1 4.14Å; V39-Y75 CarbonylContact C-O 3.59Å; V39-Y75 VanDerWaalsContact CA-O 3.22Å; V39-Y75 WeakPolarHBondContact CA-O 3.35Å; V39-Y75 WeakPolarHBondContact CB-O 3.39Å; V39-I107 HydrophobicContact CB-CG2 4.41Å; V39-I107 HydrophobicContact CG1-CG2 3.91Å; V39-I107 HydrophobicContact CG2-CG2 3.8Å; V39-M110 HydrophobicContact CG1-CE 4.37Å; V39-L111 HydrophobicContact CG1-CD1 3.99Å; V39-L111 HydrophobicContact CG1-CD2 4.04Å; V39-L111 HydrophobicContact CG1-CG 4.3Å |
| 40 | H | 97.2 | Very high | 92.4 | Very high | 30 Ų | 30 | 44.7 Ų | 44.7 | 14% | 0.139 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 137.1 | 164.9 | -177.8 | 64.9 | 0 | 0 | 0 | 108.3 | E36 Y75 W171 | E36-H40 IonicContact OE1-CE1 3.25Å; E36-H40 IonicContact OE1-ND1 2.89Å; E36-H40 PolarHBondContact OE1-ND1 3.18Å; H40-Y75 PolarHBondContact N-O 3.18Å; H40-Y75 PolarHBondContact O-N 3.36Å; H40-W171 HydrophobicContact CB-CE3 3.66Å; H40-W171 HydrophobicContact CB-CZ3 3.53Å |
| 41 | S | 94.7 | Very high | 91.9 | Very high | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.063 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 144.5 | -176.5 | -64.7 | 0 | 0 | 0 | 0 | 111.4 | E73 V74 Y103 | S41-E73 CarbonylContact C-O 3.59Å; S41-E73 VanDerWaalsContact CA-O 3.29Å; S41-E73 WeakPolarHBondContact CA-O 3.49Å; S41-V74 WeakPolarHBondContact OG-CG2 3.49Å; S41-Y103 WeakPolarHBondContact CB-OH 3.49Å; S41-Y103 PolarHBondContact OG-OH 2.74Å |
| 42 | C | 92.2 | Very high | 91.5 | Very high | 13 Ų | 13 | 50 Ų | 50 | 9% | 0.088 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 143.3 | 176.9 | -59.7 | 0 | 0 | 0 | 0 | 109.4 | L46 T72 E73 | C42-L46 HydrophobicContact CB-CD2 3.33Å; C42-L46 HydrophobicContact CB-CG 4.18Å; C42-L46 WeakPolarHBondContact SG-CD2 2.91Å; C42-T72 WeakPolarHBondContact O-CA 3.47Å; C42-E73 PolarHBondContact N-O 2.85Å; C42-E73 PolarHBondContact O-N 2.96Å |
| 43 | Y | 90 | Very high | 90.9 | Very high | 120 Ų | 120 | 54.8 Ų | 54.8 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.6 | -173 | -53.8 | -78.8 | 0 | 0 | 0 | 110.4 | I45 V70 K71 T72 Y103 | Y43-I45 VanDerWaalsContact C-N 3.32Å; Y43-I45 PolarHBondContact O-N 3.1Å; Y43-V70 HydrophobicContact CD1-CG1 4.11Å; Y43-V70 HydrophobicContact CG-CG1 4.45Å; Y43-K71 CarbonylContact C-O 3.6Å; Y43-K71 WeakPolarHBondContact CA-O 3.38Å; Y43-T72 HydrophobicContact CD1-CG2 3.94Å; Y43-T72 WeakPolarHBondContact CD1-OG1 3.5Å; Y43-T72 HydrophobicContact CE1-CG2 3.69Å; Y43-Y103 HydrophobicContact CE1-CD2 4.49Å; Y43-Y103 HydrophobicContact CE1-CE2 4.22Å; Y43-Y103 WeakPolarHBondContact OH-CE2 3.37Å |
| 44 | D | 84 | Confident | 90.4 | Very high | 102 Ų | 102 | 58.1 Ų | 58.1 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 57.9 | -75.4 | -180 | -65.1 | -35.4 | 0 | 0 | 0 | 115.4 | K71 | D44-K71 PolarHBondContact N-O 3.17Å; D44-K71 PolarHBondContact OD1-N 3.18Å |
| 45 | I | 80.8 | Confident | 90 | Very high | 147 Ų | 147 | 64.2 Ų | 64.2 | 75% | 0.754 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -131.3 | 123.2 | -176.7 | -57 | 175.4 | 0 | 0 | 0 | 108.1 | Y43 P47 | Y43-I45 VanDerWaalsContact C-N 3.32Å; Y43-I45 PolarHBondContact O-N 3.1Å; I45-P47 WeakPolarHBondContact O-CD 3.38Å |
| 46 | L | 80.4 | Confident | 89.8 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 17% | 0.168 | 36% | 0.357 | C | S | . | . | trans | -58.9 | 126.5 | 170.6 | -77.2 | 163.2 | 0 | 0 | 0 | 110 | C42 L52 E73 Y75 | C42-L46 HydrophobicContact CB-CD2 3.33Å; C42-L46 HydrophobicContact CB-CG 4.18Å; C42-L46 WeakPolarHBondContact SG-CD2 2.91Å; L46-L52 HydrophobicContact CD2-CB 4.41Å; L46-E73 WeakPolarHBondContact CD1-OE2 3.41Å; L46-Y75 WeakPolarHBondContact CD1-OH 3.44Å; L46-Y75 HydrophobicContact CD2-CE2 4.33Å | ||
| 47 | P | 79.6 | Confident | 89.7 | Confident | 62 Ų | 62 | 68.9 Ų | 68.9 | 40% | 0.403 | 36% | 0.355 | S | S | . | . | trans | -54.8 | 148.3 | 173.4 | -24 | 32.9 | 0 | 0 | 0 | 111.4 | I45 E49 S50 | I45-P47 WeakPolarHBondContact O-CD 3.38Å; P47-E49 VanDerWaalsContact CB-CD 3.42Å; P47-E49 HydrophobicContact CB-CG 4.2Å; P47-E49 WeakPolarHBondContact CB-OE1 3.49Å; P47-E49 WeakPolarHBondContact CB-OE2 3.49Å; P47-E49 PolarHBondContact O-N 2.64Å; P47-S50 WeakPolarHBondContact O-CB 3.49Å; P47-S50 PolarHBondContact O-N 3.18Å | ||
| 48 | E | 83.3 | Confident | 89.7 | Confident | 153 Ų | 153 | 71.8 Ų | 71.8 | 72% | 0.715 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -32.9 | -176.4 | -68.2 | -144 | 116.1 | 0 | 0 | 112.8 | S50 K53 | E48-S50 VanDerWaalsContact C-N 3.27Å; E48-K53 VanDerWaalsContact CD-NZ 3.35Å; E48-K53 VanDerWaalsContact O-CD 3.31Å; E48-K53 WeakPolarHBondContact O-CD 3.31Å; E48-K53 IonicContact OE1-NZ 3.74Å; E48-K53 PolarHBondContact OE1-NZ 3.13Å |
| 49 | E | 85.2 | Confident | 89.6 | Confident | 161 Ų | 161 | 73.8 Ų | 73.8 | 75% | 0.752 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -6.5 | 177.5 | 67.5 | -86.2 | -160.4 | 0 | 0 | 113.8 | P47 Q51 | P47-E49 VanDerWaalsContact CB-CD 3.42Å; P47-E49 HydrophobicContact CB-CG 4.2Å; P47-E49 WeakPolarHBondContact CB-OE1 3.49Å; P47-E49 WeakPolarHBondContact CB-OE2 3.49Å; P47-E49 PolarHBondContact O-N 2.64Å; E49-Q51 PolarHBondContact O-N 3.15Å |
| 50 | S | 87.6 | Confident | 89.5 | Confident | 21 Ų | 21 | 77.1 Ų | 77.1 | 15% | 0.147 | 40% | 0.401 | C | S | . | . | trans | -62.4 | 128.5 | 179.4 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | P47 E48 L52 K53 | P47-S50 WeakPolarHBondContact O-CB 3.49Å; P47-S50 PolarHBondContact O-N 3.18Å; E48-S50 VanDerWaalsContact C-N 3.27Å; S50-L52 PolarHBondContact O-N 3.29Å; S50-L52 PolarHBondContact OG-N 3.27Å; S50-K53 VanDerWaalsContact O-CB 3.31Å; S50-K53 WeakPolarHBondContact O-CB 3.41Å; S50-K53 PolarHBondContact O-N 3.12Å | ||
| 51 | Q | 88.3 | Confident | 89.4 | Confident | 112 Ų | 112 | 77.1 Ų | 77.1 | 52% | 0.523 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -10.8 | 172.9 | -67.2 | 179.7 | 56.3 | 0 | 0 | 112.7 | E49 Y55 | E49-Q51 PolarHBondContact O-N 3.15Å; Q51-Y55 WeakPolarHBondContact O-CE2 3.35Å |
| 52 | L | 90.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -3.3 | 177.2 | -62.1 | 166.8 | 0 | 0 | 0 | 112.7 | L46 S50 G54 Y55 Y75 W171 | L46-L52 HydrophobicContact CD2-CB 4.41Å; S50-L52 PolarHBondContact O-N 3.29Å; S50-L52 PolarHBondContact OG-N 3.27Å; L52-G54 PolarHBondContact O-N 3.37Å; L52-Y55 WeakPolarHBondContact O-CB 3.44Å; L52-Y55 PolarHBondContact O-N 2.91Å; L52-Y75 HydrophobicContact CB-CD1 4.43Å; L52-Y75 HydrophobicContact CB-CE1 4.17Å; L52-Y75 HydrophobicContact CB-CE2 4.34Å; L52-Y75 HydrophobicContact CD1-CD1 4.27Å; L52-Y75 HydrophobicContact CD1-CD2 3.66Å; L52-Y75 HydrophobicContact CD1-CE2 4.16Å; L52-Y75 HydrophobicContact CD1-CG 3.71Å; L52-Y75 HydrophobicContact CD2-CD1 3.77Å; L52-Y75 HydrophobicContact CD2-CE1 4.26Å; L52-Y75 HydrophobicContact CD2-CG 3.97Å; L52-Y75 HydrophobicContact CG-CD1 4.37Å; L52-Y75 HydrophobicContact CG-CD2 4.5Å; L52-Y75 HydrophobicContact CG-CG 4.29Å; L52-W171 HydrophobicContact CD2-CH2 4.49Å |
| 53 | K | 87.5 | Confident | 89.3 | Confident | 99 Ų | 99 | 83 Ų | 83 | 43% | 0.43 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 131 | 175.9 | -172.5 | 170.3 | -176.4 | 175.9 | 0 | 110.6 | E48 S50 Y55 | E48-K53 VanDerWaalsContact CD-NZ 3.35Å; E48-K53 VanDerWaalsContact O-CD 3.31Å; E48-K53 WeakPolarHBondContact O-CD 3.31Å; E48-K53 IonicContact OE1-NZ 3.74Å; E48-K53 PolarHBondContact OE1-NZ 3.13Å; S50-K53 VanDerWaalsContact O-CB 3.31Å; S50-K53 WeakPolarHBondContact O-CB 3.41Å; S50-K53 PolarHBondContact O-N 3.12Å; K53-Y55 VanDerWaalsContact C-N 3.27Å; K53-Y55 PolarHBondContact O-N 3.33Å |
| 54 | G | 87.5 | Confident | 89 | Confident | 82 Ų | 82 | 81.1 Ų | 81.1 | 85% | 0.845 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 0.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L52 | L52-G54 PolarHBondContact O-N 3.37Š|
| 55 | Y | 90.7 | Very high | 88.6 | Confident | 127 Ų | 127 | 78.5 Ų | 78.5 | 50% | 0.498 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -100 | 139.4 | 171.9 | -64.6 | -84.8 | 0 | 0 | 0 | 111.3 | Q51 L52 K53 Y75 R175 | Q51-Y55 WeakPolarHBondContact O-CE2 3.35Å; L52-Y55 WeakPolarHBondContact O-CB 3.44Å; L52-Y55 PolarHBondContact O-N 2.91Å; K53-Y55 VanDerWaalsContact C-N 3.27Å; K53-Y55 PolarHBondContact O-N 3.33Å; Y55-Y75 PolarHBondContact O-OH 3.01Å; Y55-R175 HydrophobicContact CE1-CG 4.49Å; Y55-R175 HydrophobicContact CE2-CG 4.4Å |
| 56 | E | 93 | Very high | 88.4 | Confident | 151 Ų | 151 | 81.4 Ų | 81.4 | 71% | 0.706 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 133.3 | 171.3 | -64.6 | 174.9 | 159.6 | 0 | 0 | 110.4 | K2 Y75 | K2-E56 IonicContact NZ-OE2 2.81Å; E56-Y75 WeakPolarHBondContact O-CE1 3.46Å |
| 57 | A | 95.3 | Very high | 88.3 | Confident | 25 Ų | 25 | 88.2 Ų | 88.2 | 21% | 0.207 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 149.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V60 E73 Y75 | A57-V60 HydrophobicContact CB-CG2 3.78Å; A57-E73 HydrophobicContact CB-CB 3.85Å; A57-E73 HydrophobicContact CB-CG 4.32Å; A57-Y75 VanDerWaalsContact CA-CE1 3.48Å; A57-Y75 HydrophobicContact CB-CE1 4.12Å; A57-Y75 HydrophobicContact CB-CE2 4.08Å |
| 58 | D | 97.7 | Very high | 88.6 | Confident | 61 Ų | 61 | 94.7 Ų | 94.7 | 33% | 0.326 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -77.9 | -26.7 | 174.6 | -67.5 | -80.2 | 0 | 0 | 0 | 111.6 | V74 K76 M110 | D58-V74 PolarHBondContact N-O 2.93Å; D58-K76 HydrophobicContact CB-CB 4.5Å; D58-K76 HydrophobicContact CB-CD 4.46Å; D58-K76 HydrophobicContact CB-CG 3.98Å; D58-K76 VanDerWaalsContact OD1-CE 3.3Å; D58-K76 WeakPolarHBondContact OD1-CE 3.18Å; D58-K76 WeakPolarHBondContact OD2-CB 3.12Å; D58-K76 PolarHBondContact OD2-N 3.26Å; D58-M110 HydrophobicContact CB-SD 3.84Å |
| 59 | L | 97.7 | Very high | 88.8 | Confident | 43 Ų | 43 | 95.1 Ų | 95.1 | 23% | 0.225 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 140.7 | 173.3 | 173.2 | 70.9 | 0 | 0 | 0 | 110.1 | F61 V74 P106 I107 M110 | L59-F61 HydrophobicContact CD2-CD1 3.8Å; L59-F61 HydrophobicContact CD2-CE1 3.89Å; L59-F61 HydrophobicContact CG-CD1 3.89Å; L59-F61 HydrophobicContact CG-CE1 4.39Å; L59-V74 HydrophobicContact CB-CB 4.24Å; L59-V74 PolarHBondContact N-O 3.42Å; L59-V74 PolarHBondContact O-N 3.19Å; L59-P106 HydrophobicContact CD2-CB 3.97Å; L59-I107 HydrophobicContact CD2-CG1 4.26Å; L59-M110 HydrophobicContact CB-CG 4.41Å; L59-M110 HydrophobicContact CB-SD 3.48Å; L59-M110 WeakPolarHBondContact CB-SD 3.29Å; L59-M110 HydrophobicContact CD2-CB 4.25Å; L59-M110 HydrophobicContact CD2-SD 4.44Å |
| 60 | V | 95.9 | Very high | 89 | Confident | 70 Ų | 70 | 88.9 Ų | 88.9 | 42% | 0.424 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.2 | 172.3 | -175.3 | 0 | 0 | 0 | 0 | 109 | A57 K71 T72 E73 | A57-V60 HydrophobicContact CB-CG2 3.78Å; V60-K71 HydrophobicContact CG1-CD 4.45Å; V60-K71 HydrophobicContact CG1-CG 4.05Å; V60-T72 WeakPolarHBondContact CA-O 3.35Å; V60-E73 HydrophobicContact CG1-CG 4.33Å; V60-E73 HydrophobicContact CG2-CG 4.12Å |
| 61 | F | 95.6 | Very high | 89.3 | Confident | 29 Ų | 29 | 91.5 Ų | 91.5 | 13% | 0.127 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 171.7 | 176.6 | 66.2 | -75.6 | 0 | 0 | 0 | 111.1 | L59 I63 T72 V74 Y103 P106 I107 | L59-F61 HydrophobicContact CD2-CD1 3.8Å; L59-F61 HydrophobicContact CD2-CE1 3.89Å; L59-F61 HydrophobicContact CG-CD1 3.89Å; L59-F61 HydrophobicContact CG-CE1 4.39Å; F61-I63 HydrophobicContact CD2-CD1 4.29Å; F61-I63 HydrophobicContact CD2-CG1 3.74Å; F61-I63 HydrophobicContact CE2-CD1 3.44Å; F61-I63 VanDerWaalsContact CE2-CD1 3.44Å; F61-I63 HydrophobicContact CE2-CG1 3.33Å; F61-I63 HydrophobicContact CZ-CD1 3.86Å; F61-I63 HydrophobicContact CZ-CG1 4.22Å; F61-T72 HydrophobicContact CE1-CG2 3.96Å; F61-T72 HydrophobicContact CZ-CG2 4.1Å; F61-T72 PolarHBondContact N-O 3.42Å; F61-T72 PolarHBondContact O-N 2.77Å; F61-V74 HydrophobicContact CD1-CG2 4.35Å; F61-V74 HydrophobicContact CE1-CG2 3.62Å; F61-Y103 HydrophobicContact CZ-CD2 4.22Å; F61-Y103 WeakPolarHBondContact CZ-O 3.34Å; F61-P106 HydrophobicContact CD1-CB 4.34Å; F61-P106 HydrophobicContact CD2-CB 4.26Å; F61-P106 HydrophobicContact CD2-CG 4.04Å; F61-P106 HydrophobicContact CE1-CB 4.25Å; F61-P106 HydrophobicContact CE2-CB 4.15Å; F61-P106 HydrophobicContact CE2-CG 3.86Å; F61-P106 HydrophobicContact CG-CB 4.34Å; F61-P106 HydrophobicContact CZ-CB 4.16Å; F61-P106 HydrophobicContact CZ-CG 4.29Å; F61-I107 HydrophobicContact CE1-CD1 4.44Å; F61-I107 HydrophobicContact CE1-CG1 4.08Å; F61-I107 HydrophobicContact CZ-CD1 4.35Å; F61-I107 HydrophobicContact CZ-CG1 4.2Å |
| 62 | H | 93.7 | Very high | 89.6 | Confident | 117 Ų | 117 | 86.2 Ų | 86.2 | 54% | 0.542 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.3 | 179.4 | -67.5 | 79.8 | 0 | 0 | 0 | 110.2 | K69 V70 | H62-K69 HydrophobicContact CB-CB 4.35Å; H62-V70 WeakPolarHBondContact CA-O 3.45Å |
| 63 | I | 90.1 | Very high | 89.8 | Confident | 28 Ų | 28 | 87.9 Ų | 87.9 | 14% | 0.144 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134.1 | 175.8 | -59.3 | 173.3 | 0 | 0 | 0 | 108.2 | F61 A65 V70 T72 Y103 | F61-I63 HydrophobicContact CD2-CD1 4.29Å; F61-I63 HydrophobicContact CD2-CG1 3.74Å; F61-I63 HydrophobicContact CE2-CD1 3.44Å; F61-I63 VanDerWaalsContact CE2-CD1 3.44Å; F61-I63 HydrophobicContact CE2-CG1 3.33Å; F61-I63 HydrophobicContact CZ-CD1 3.86Å; F61-I63 HydrophobicContact CZ-CG1 4.22Å; I63-A65 PolarHBondContact O-N 3.1Å; I63-V70 PolarHBondContact N-O 3.22Å; I63-V70 PolarHBondContact O-N 2.71Å; I63-T72 HydrophobicContact CD1-CG2 4.34Å; I63-T72 WeakPolarHBondContact CD1-OG1 3.43Å; I63-Y103 HydrophobicContact CD1-CD2 3.44Å; I63-Y103 VanDerWaalsContact CD1-CD2 3.44Å; I63-Y103 HydrophobicContact CD1-CE2 4.41Å; I63-Y103 HydrophobicContact CD1-CG 4.17Å |
| 64 | S | 84.7 | Confident | 90.3 | Very high | 82 Ų | 82 | 83.1 Ų | 83.1 | 57% | 0.573 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 102.5 | 175.6 | -65.5 | 0 | 0 | 0 | 0 | 109.5 | R68 | S64-R68 CarbonylContact C-O 3.59Å; S64-R68 WeakPolarHBondContact CA-O 3.26Å |
| 65 | A | 76.3 | Confident | 90.7 | Very high | 46 Ų | 46 | 79.3 Ų | 79.3 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 119.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | I63 N67 R68 V70 | I63-A65 PolarHBondContact O-N 3.1Å; A65-N67 PolarHBondContact O-N 2.76Å; A65-R68 PolarHBondContact N-O 2.69Å; A65-R68 PolarHBondContact O-N 2.89Å; A65-V70 HydrophobicContact CB-CG2 4.15Å |
| 66 | K | 76.4 | Confident | 91.1 | Very high | 208 Ų | 208 | 75.1 Ų | 75.1 | 90% | 0.904 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 49.7 | 176.4 | -59 | -179.9 | 179.2 | 178.3 | 0 | 113.4 | R68 | K66-R68 PolarHBondContact O-N 3.15Š|
| 67 | N | 78.5 | Confident | 91.4 | Very high | 175 Ų | 175 | 68 Ų | 68 | 94% | 0.936 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 14.6 | -177.1 | -59.4 | -12.9 | 0 | 0 | 0 | 115.6 | A65 | A65-N67 PolarHBondContact O-N 2.76Š|
| 68 | R | 84.7 | Confident | 91.5 | Very high | 198 Ų | 198 | 67.4 Ų | 67.4 | 75% | 0.747 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 140.7 | 170 | -63.8 | -175.5 | 179 | 177.6 | -0.6 | 109.7 | S64 A65 K66 | S64-R68 CarbonylContact C-O 3.59Å; S64-R68 WeakPolarHBondContact CA-O 3.26Å; A65-R68 PolarHBondContact N-O 2.69Å; A65-R68 PolarHBondContact O-N 2.89Å; K66-R68 PolarHBondContact O-N 3.15Å |
| 69 | K | 87.4 | Confident | 91.5 | Very high | 163 Ų | 163 | 67 Ų | 67 | 71% | 0.709 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 110.3 | 169 | -70.8 | -173.6 | 179.1 | -177.5 | 0 | 107.9 | H62 | H62-K69 HydrophobicContact CB-CB 4.35Å |
| 70 | V | 90.2 | Very high | 91.5 | Very high | 29 Ų | 29 | 65 Ų | 65 | 18% | 0.176 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123.5 | 177.6 | 177.4 | 0 | 0 | 0 | 0 | 108 | Y43 H62 I63 A65 T72 | Y43-V70 HydrophobicContact CD1-CG1 4.11Å; Y43-V70 HydrophobicContact CG-CG1 4.45Å; H62-V70 WeakPolarHBondContact CA-O 3.45Å; I63-V70 PolarHBondContact N-O 3.22Å; I63-V70 PolarHBondContact O-N 2.71Å; A65-V70 HydrophobicContact CB-CG2 4.15Å; V70-T72 PolarHBondContact O-N 2.85Å |
| 71 | K | 93.1 | Very high | 91.6 | Very high | 77 Ų | 77 | 64.6 Ų | 64.6 | 34% | 0.335 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 126.4 | 174.5 | -177.1 | -173.3 | 171.3 | -159.6 | 0 | 108.1 | Y43 D44 V60 E73 | Y43-K71 CarbonylContact C-O 3.6Å; Y43-K71 WeakPolarHBondContact CA-O 3.38Å; D44-K71 PolarHBondContact N-O 3.17Å; D44-K71 PolarHBondContact OD1-N 3.18Å; V60-K71 HydrophobicContact CG1-CD 4.45Å; V60-K71 HydrophobicContact CG1-CG 4.05Å; K71-E73 WeakPolarHBondContact CE-OE1 3.21Å; K71-E73 IonicContact NZ-OE1 2.63Å; K71-E73 PolarHBondContact NZ-OE1 3.03Å |
| 72 | T | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.2 | 179.9 | -55.1 | 0 | 0 | 0 | 0 | 108.9 | C42 Y43 V60 F61 I63 V70 V74 Y103 | C42-T72 WeakPolarHBondContact O-CA 3.47Å; Y43-T72 HydrophobicContact CD1-CG2 3.94Å; Y43-T72 WeakPolarHBondContact CD1-OG1 3.5Å; Y43-T72 HydrophobicContact CE1-CG2 3.69Å; V60-T72 WeakPolarHBondContact CA-O 3.35Å; F61-T72 HydrophobicContact CE1-CG2 3.96Å; F61-T72 HydrophobicContact CZ-CG2 4.1Å; F61-T72 PolarHBondContact N-O 3.42Å; F61-T72 PolarHBondContact O-N 2.77Å; I63-T72 HydrophobicContact CD1-CG2 4.34Å; I63-T72 WeakPolarHBondContact CD1-OG1 3.43Å; V70-T72 PolarHBondContact O-N 2.85Å; T72-V74 HydrophobicContact CG2-CG2 4.1Å; T72-Y103 HydrophobicContact CG2-CE2 4.12Å |
| 73 | E | 95.4 | Very high | 91.9 | Very high | 35 Ų | 35 | 59 Ų | 59 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124.9 | 175.6 | -65.8 | -168.6 | 160.5 | 0 | 0 | 109.1 | S41 C42 L46 A57 V60 K71 Y75 | S41-E73 CarbonylContact C-O 3.59Å; S41-E73 VanDerWaalsContact CA-O 3.29Å; S41-E73 WeakPolarHBondContact CA-O 3.49Å; C42-E73 PolarHBondContact N-O 2.85Å; C42-E73 PolarHBondContact O-N 2.96Å; L46-E73 WeakPolarHBondContact CD1-OE2 3.41Å; A57-E73 HydrophobicContact CB-CB 3.85Å; A57-E73 HydrophobicContact CB-CG 4.32Å; V60-E73 HydrophobicContact CG1-CG 4.33Å; V60-E73 HydrophobicContact CG2-CG 4.12Å; K71-E73 WeakPolarHBondContact CE-OE1 3.21Å; K71-E73 IonicContact NZ-OE1 2.63Å; K71-E73 PolarHBondContact NZ-OE1 3.03Å; E73-Y75 HydrophobicContact CB-CE2 3.96Å; E73-Y75 PolarHBondContact OE2-OH 3.44Å |
| 74 | V | 97.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.6 | -175.3 | -172.5 | 0 | 0 | 0 | 0 | 110 | V39 S41 D58 L59 F61 T72 I107 | V39-V74 HydrophobicContact CB-CG1 3.82Å; V39-V74 HydrophobicContact CG1-CG1 4.08Å; V39-V74 HydrophobicContact CG2-CG1 4.14Å; S41-V74 WeakPolarHBondContact OG-CG2 3.49Å; D58-V74 PolarHBondContact N-O 2.93Å; L59-V74 HydrophobicContact CB-CB 4.24Å; L59-V74 PolarHBondContact N-O 3.42Å; L59-V74 PolarHBondContact O-N 3.19Å; F61-V74 HydrophobicContact CD1-CG2 4.35Å; F61-V74 HydrophobicContact CE1-CG2 3.62Å; T72-V74 HydrophobicContact CG2-CG2 4.1Å; V74-I107 HydrophobicContact CG1-CD1 4.11Å; V74-I107 HydrophobicContact CG1-CG1 4.14Å; V74-I107 HydrophobicContact CG1-CG2 4.27Å; V74-I107 HydrophobicContact CG2-CD1 3.92Å; V74-I107 HydrophobicContact CG2-CG1 3.99Å |
| 75 | Y | 97.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.9 | -179.7 | -64.6 | -94.9 | 0 | 0 | 0 | 109.5 | V39 H40 L46 L52 Y55 E56 A57 E73 W171 | V39-Y75 CarbonylContact C-O 3.59Å; V39-Y75 VanDerWaalsContact CA-O 3.22Å; V39-Y75 WeakPolarHBondContact CA-O 3.35Å; V39-Y75 WeakPolarHBondContact CB-O 3.39Å; H40-Y75 PolarHBondContact N-O 3.18Å; H40-Y75 PolarHBondContact O-N 3.36Å; L46-Y75 WeakPolarHBondContact CD1-OH 3.44Å; L46-Y75 HydrophobicContact CD2-CE2 4.33Å; L52-Y75 HydrophobicContact CB-CD1 4.43Å; L52-Y75 HydrophobicContact CB-CE1 4.17Å; L52-Y75 HydrophobicContact CB-CE2 4.34Å; L52-Y75 HydrophobicContact CD1-CD1 4.27Å; L52-Y75 HydrophobicContact CD1-CD2 3.66Å; L52-Y75 HydrophobicContact CD1-CE2 4.16Å; L52-Y75 HydrophobicContact CD1-CG 3.71Å; L52-Y75 HydrophobicContact CD2-CD1 3.77Å; L52-Y75 HydrophobicContact CD2-CE1 4.26Å; L52-Y75 HydrophobicContact CD2-CG 3.97Å; L52-Y75 HydrophobicContact CG-CD1 4.37Å; L52-Y75 HydrophobicContact CG-CD2 4.5Å; L52-Y75 HydrophobicContact CG-CG 4.29Å; Y55-Y75 PolarHBondContact O-OH 3.01Å; E56-Y75 WeakPolarHBondContact O-CE1 3.46Å; A57-Y75 VanDerWaalsContact CA-CE1 3.48Å; A57-Y75 HydrophobicContact CB-CE1 4.12Å; A57-Y75 HydrophobicContact CB-CE2 4.08Å; E73-Y75 HydrophobicContact CB-CE2 3.96Å; E73-Y75 PolarHBondContact OE2-OH 3.44Å; Y75-W171 WeakPolarHBondContact O-CZ3 3.48Å |
| 76 | K | 98.4 | Very high | 93.7 | Very high | 38 Ų | 38 | 56 Ų | 56 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 133.1 | 173.2 | -75.4 | -168 | -65.8 | 177.6 | 0 | 110.2 | D58 V80 D81 M110 L111 W171 R175 | D58-K76 HydrophobicContact CB-CB 4.5Å; D58-K76 HydrophobicContact CB-CD 4.46Å; D58-K76 HydrophobicContact CB-CG 3.98Å; D58-K76 VanDerWaalsContact OD1-CE 3.3Å; D58-K76 WeakPolarHBondContact OD1-CE 3.18Å; D58-K76 WeakPolarHBondContact OD2-CB 3.12Å; D58-K76 PolarHBondContact OD2-N 3.26Å; K76-V80 HydrophobicContact CB-CG1 3.65Å; K76-V80 HydrophobicContact CD-CG1 3.74Å; K76-V80 HydrophobicContact CG-CG1 3.89Å; K76-D81 IonicContact NZ-OD1 2.62Å; K76-D81 PolarHBondContact NZ-OD1 3.41Å; K76-D81 IonicContact NZ-OD2 3.92Å; K76-D81 PolarHBondContact NZ-OD2 3.04Å; K76-M110 HydrophobicContact CD-CE 4.02Å; K76-M110 HydrophobicContact CD-SD 4.44Å; K76-M110 HydrophobicContact CG-CE 3.7Å; K76-M110 HydrophobicContact CG-SD 4.38Å; K76-L111 HydrophobicContact CD-CD2 3.97Å; K76-L111 HydrophobicContact CG-CD2 4.08Å; K76-W171 VanDerWaalsContact O-CH2 3.23Å; K76-W171 WeakPolarHBondContact O-CH2 3.48Å; K76-R175 PolarHBondContact O-NH1 2.9Å |
| 77 | R | 98.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 138 | 167.7 | -174.9 | 170.5 | -173.8 | 154.7 | 16.3 | 109 | T37 L38 Y79 V80 K169 W171 D177 L180 | T37-R77 WeakPolarHBondContact O-CD 3.45Å; T37-R77 PolarHBondContact O-NH1 3.14Å; L38-R77 WeakPolarHBondContact O-CB 2.98Å; L38-R77 PolarHBondContact O-N 3.21Å; R77-Y79 PolarHBondContact O-N 2.65Å; R77-V80 WeakPolarHBondContact O-CB 3.35Å; R77-V80 WeakPolarHBondContact O-CG1 3.18Å; R77-V80 PolarHBondContact O-N 3.41Å; R77-V80 VanDerWaalsContact O-N 3.13Å; R77-K169 PolarHBondContact NH1-O 3.38Å; R77-K169 PolarHBondContact NH2-O 3.39Å; R77-W171 HydrophobicContact CB-CD2 3.85Å; R77-W171 HydrophobicContact CB-CE3 3.75Å; R77-W171 HydrophobicContact CB-CG 4.33Å; R77-W171 HydrophobicContact CB-CZ3 4.13Å; R77-W171 HydrophobicContact CG-CB 4.16Å; R77-W171 HydrophobicContact CG-CD2 3.7Å; R77-W171 HydrophobicContact CG-CE3 4.12Å; R77-W171 HydrophobicContact CG-CG 3.69Å; R77-D177 IonicContact CZ-OD1 2.71Å; R77-D177 IonicContact CZ-OD2 2.68Å; R77-D177 IonicContact NE-OD1 3.28Å; R77-D177 PolarHBondContact NE-OD1 2.75Å; R77-D177 IonicContact NE-OD2 3.55Å; R77-D177 IonicContact NH2-OD1 2.74Å; R77-D177 PolarHBondContact NH2-OD1 3.27Å; R77-D177 IonicContact NH2-OD2 2.95Å; R77-D177 PolarHBondContact NH2-OD2 2.62Å; R77-L180 HydrophobicContact CB-CD1 4.06Å; R77-L180 HydrophobicContact CG-CD1 3.94Å; R77-L180 HydrophobicContact CG-CG 4.37Å |
| 78 | P | 97.7 | Very high | 95.5 | Very high | 14 Ų | 14 | 39.4 Ų | 39.4 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | 136.9 | 176 | -30.6 | 35.7 | 0 | 0 | 0 | 112 | V80 W171 D177 | P78-V80 VanDerWaalsContact C-N 3.25Å; P78-V80 PolarHBondContact O-N 3.46Å; P78-W171 VanDerWaalsContact CD-CE2 3.4Å; P78-W171 VanDerWaalsContact CD-CZ2 3.41Å; P78-W171 HydrophobicContact CG-CZ2 4.35Å; P78-D177 WeakPolarHBondContact CB-O 3.31Å; P78-D177 HydrophobicContact CG-CB 4.3Å |
| 79 | Y | 97.5 | Very high | 95.9 | Very high | 53 Ų | 53 | 35.5 Ų | 35.5 | 21% | 0.208 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 6.6 | 179.4 | -45.1 | -76.3 | 0 | 0 | 0 | 116.7 | R77 D81 A82 F83 D177 T178 L181 L222 | R77-Y79 PolarHBondContact O-N 2.65Å; Y79-D81 VanDerWaalsContact C-N 3.34Å; Y79-D81 PolarHBondContact O-N 3.35Å; Y79-A82 PolarHBondContact O-N 3.36Å; Y79-F83 WeakPolarHBondContact O-CB 3.29Å; Y79-F83 PolarHBondContact O-N 3.23Å; Y79-D177 VanDerWaalsContact CE2-O 3.3Å; Y79-D177 WeakPolarHBondContact CE2-O 3.38Å; Y79-T178 HydrophobicContact CE2-CG2 3.97Å; Y79-L181 HydrophobicContact CD1-CD2 4.31Å; Y79-L181 HydrophobicContact CD2-CB 4.19Å; Y79-L181 HydrophobicContact CD2-CD2 4.4Å; Y79-L181 HydrophobicContact CE1-CD2 4.31Å; Y79-L181 HydrophobicContact CE2-CD2 4.4Å; Y79-L181 HydrophobicContact CG-CB 4.22Å; Y79-L181 HydrophobicContact CG-CD2 4.35Å; Y79-L222 HydrophobicContact CE1-CD2 3.78Å |
| 80 | V | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.7 | -40.8 | -178.2 | 70.5 | 0 | 0 | 0 | 0 | 113.9 | L38 K76 R77 P78 A82 F83 L84 L111 L180 | L38-V80 HydrophobicContact CB-CG2 4Å; L38-V80 HydrophobicContact CD2-CG2 3.96Å; L38-V80 HydrophobicContact CG-CG2 4.42Å; K76-V80 HydrophobicContact CB-CG1 3.65Å; K76-V80 HydrophobicContact CD-CG1 3.74Å; K76-V80 HydrophobicContact CG-CG1 3.89Å; R77-V80 WeakPolarHBondContact O-CB 3.35Å; R77-V80 WeakPolarHBondContact O-CG1 3.18Å; R77-V80 PolarHBondContact O-N 3.41Å; R77-V80 VanDerWaalsContact O-N 3.13Å; P78-V80 VanDerWaalsContact C-N 3.25Å; P78-V80 PolarHBondContact O-N 3.46Å; V80-A82 PolarHBondContact O-N 3.49Å; V80-F83 WeakPolarHBondContact O-CB 3.3Å; V80-F83 PolarHBondContact O-N 3.43Å; V80-L84 HydrophobicContact CG2-CD1 4.14Å; V80-L84 HydrophobicContact CG2-CG 4.34Å; V80-L84 WeakPolarHBondContact O-CB 3.2Å; V80-L84 VanDerWaalsContact O-CG 3.31Å; V80-L84 WeakPolarHBondContact O-CG 3.26Å; V80-L84 PolarHBondContact O-N 3.06Å; V80-L111 HydrophobicContact CG1-CD2 4.06Å; V80-L111 HydrophobicContact CG2-CD2 4.03Å; V80-L180 HydrophobicContact CB-CD1 3.78Å; V80-L180 HydrophobicContact CG2-CD1 3.99Å |
| 81 | D | 98.2 | Very high | 96.5 | Very high | 60 Ų | 60 | 27.1 Ų | 27.1 | 32% | 0.321 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.8 | -46.9 | -179.5 | -57.7 | -50.6 | 0 | 0 | 0 | 111.2 | K76 Y79 F83 L84 D85 | K76-D81 IonicContact NZ-OD1 2.62Å; K76-D81 PolarHBondContact NZ-OD1 3.41Å; K76-D81 IonicContact NZ-OD2 3.92Å; K76-D81 PolarHBondContact NZ-OD2 3.04Å; Y79-D81 VanDerWaalsContact C-N 3.34Å; Y79-D81 PolarHBondContact O-N 3.35Å; D81-F83 VanDerWaalsContact C-N 3.34Å; D81-L84 PolarHBondContact O-N 3.31Å; D81-D85 PolarHBondContact O-N 2.91Å |
| 82 | A | 96.2 | Very high | 96.7 | Very high | 27 Ų | 27 | 27.2 Ų | 27.2 | 22% | 0.223 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.8 | -35 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F7 Y79 V80 M86 | F7-A82 HydrophobicContact CD1-CB 4.25Å; Y79-A82 PolarHBondContact O-N 3.36Å; V80-A82 PolarHBondContact O-N 3.49Å; A82-M86 PolarHBondContact O-N 3.25Å |
| 83 | F | 98.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.3 | -54.2 | 172.2 | 171.9 | -96.6 | 0 | 0 | 0 | 110.3 | L30 L32 L38 Y79 V80 D81 D85 M86 V87 I151 L180 L183 L184 L187 | L30-F83 HydrophobicContact CD2-CZ 4.42Å; L32-F83 HydrophobicContact CD1-CE1 4.37Å; L32-F83 HydrophobicContact CD2-CE1 3.96Å; L32-F83 HydrophobicContact CD2-CZ 4.21Å; L38-F83 HydrophobicContact CD2-CD1 4.46Å; L38-F83 HydrophobicContact CD2-CE1 4.33Å; Y79-F83 WeakPolarHBondContact O-CB 3.29Å; Y79-F83 PolarHBondContact O-N 3.23Å; V80-F83 WeakPolarHBondContact O-CB 3.3Å; V80-F83 PolarHBondContact O-N 3.43Å; D81-F83 VanDerWaalsContact C-N 3.34Å; F83-D85 VanDerWaalsContact C-N 3.33Å; F83-D85 PolarHBondContact O-N 2.93Å; F83-M86 PolarHBondContact O-N 3.38Å; F83-V87 HydrophobicContact CD1-CG2 4.21Å; F83-V87 HydrophobicContact CD2-CG1 4.12Å; F83-V87 HydrophobicContact CE1-CG1 4.34Å; F83-V87 HydrophobicContact CE1-CG2 3.9Å; F83-V87 HydrophobicContact CE2-CG1 3.73Å; F83-V87 HydrophobicContact CZ-CG1 3.84Å; F83-V87 HydrophobicContact CZ-CG2 4.19Å; F83-V87 WeakPolarHBondContact O-CG2 3.3Å; F83-V87 PolarHBondContact O-N 3.19Å; F83-I151 HydrophobicContact CZ-CD1 3.8Å; F83-L180 HydrophobicContact CB-CB 4.11Å; F83-L180 HydrophobicContact CD1-CD2 4.24Å; F83-L180 HydrophobicContact CD2-CB 4.01Å; F83-L180 HydrophobicContact CD2-CD2 4.42Å; F83-L180 VanDerWaalsContact CD2-O 3.26Å; F83-L180 WeakPolarHBondContact CD2-O 3.47Å; F83-L180 HydrophobicContact CE1-CD2 4.25Å; F83-L180 HydrophobicContact CE2-CD2 4.41Å; F83-L180 HydrophobicContact CG-CB 4.03Å; F83-L180 HydrophobicContact CG-CD2 4.33Å; F83-L180 HydrophobicContact CZ-CD2 4.34Å; F83-L183 HydrophobicContact CE2-CB 4.38Å; F83-L184 HydrophobicContact CD2-CD2 3.65Å; F83-L184 HydrophobicContact CD2-CG 4.3Å; F83-L184 HydrophobicContact CE2-CD2 4.18Å; F83-L187 HydrophobicContact CE2-CD1 3.63Å; F83-L187 HydrophobicContact CZ-CD1 3.93Å |
| 84 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.3 | -40.6 | 178.5 | -69.9 | 175.8 | 0 | 0 | 0 | 112.4 | L32 V80 D81 M86 S88 L93 L111 I117 L118 | L32-L84 HydrophobicContact CD1-CD2 3.74Å; V80-L84 HydrophobicContact CG2-CD1 4.14Å; V80-L84 HydrophobicContact CG2-CG 4.34Å; V80-L84 WeakPolarHBondContact O-CB 3.2Å; V80-L84 VanDerWaalsContact O-CG 3.31Å; V80-L84 WeakPolarHBondContact O-CG 3.26Å; V80-L84 PolarHBondContact O-N 3.06Å; D81-L84 PolarHBondContact O-N 3.31Å; L84-M86 PolarHBondContact O-N 2.72Å; L84-S88 WeakPolarHBondContact O-CB 3.32Å; L84-S88 PolarHBondContact O-N 2.9Å; L84-S88 PolarHBondContact O-OG 3.47Å; L84-L93 HydrophobicContact CD2-CD1 4.17Å; L84-L111 HydrophobicContact CD1-CB 4.16Å; L84-L111 HydrophobicContact CD1-CD2 4.45Å; L84-I117 HydrophobicContact CB-CD1 4.17Å; L84-L118 HydrophobicContact CD1-CD1 4.35Å; L84-L118 HydrophobicContact CD2-CD2 4.27Å |
| 85 | D | 96.5 | Very high | 97.1 | Very high | 69 Ų | 69 | 25.7 Ų | 25.7 | 37% | 0.369 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -59.5 | -35 | 175.1 | -80.3 | -31.3 | 0 | 0 | 0 | 112.7 | D81 F83 S88 K89 R115 | D81-D85 PolarHBondContact O-N 2.91Å; F83-D85 VanDerWaalsContact C-N 3.33Å; F83-D85 PolarHBondContact O-N 2.93Å; D85-S88 PolarHBondContact O-OG 3.3Å; D85-K89 VanDerWaalsContact O-CE 3.31Å; D85-K89 WeakPolarHBondContact O-CE 3.38Å; D85-K89 WeakPolarHBondContact O-CG 3.37Å; D85-R115 VanDerWaalsContact CG-NH1 3.3Å; D85-R115 IonicContact OD1-CZ 3.91Å; D85-R115 IonicContact OD1-NH1 3.49Å; D85-R115 PolarHBondContact OD1-NH1 2.96Å; D85-R115 IonicContact OD2-NH1 3.04Å |
| 86 | M | 95.4 | Very high | 97.2 | Very high | 23 Ų | 23 | 25.6 Ų | 25.6 | 11% | 0.113 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -84.7 | -48.7 | -177.9 | -135.7 | 54.8 | 53.9 | 0 | 0 | 111.7 | Y9 A82 F83 L84 S88 K89 W90 L184 | Y9-M86 HydrophobicContact CD1-CG 3.97Å; Y9-M86 HydrophobicContact CD1-SD 4.31Å; Y9-M86 HydrophobicContact CG-CG 4.23Å; A82-M86 PolarHBondContact O-N 3.25Å; F83-M86 PolarHBondContact O-N 3.38Å; L84-M86 PolarHBondContact O-N 2.72Å; M86-S88 VanDerWaalsContact C-N 3.31Å; M86-S88 PolarHBondContact O-N 3.22Å; M86-K89 WeakPolarHBondContact O-CB 3.23Å; M86-K89 PolarHBondContact O-N 2.71Å; M86-K89 HydrophobicContact SD-CD 4.18Å; M86-K89 PolarHBondContact SD-NZ 2.74Å; M86-K89 VanDerWaalsContact SD-NZ 3.42Å; M86-W90 HydrophobicContact CB-CH2 4.17Å; M86-W90 HydrophobicContact CB-CZ2 4.31Å; M86-W90 HydrophobicContact CG-CH2 3.6Å; M86-W90 HydrophobicContact CG-CZ2 3.44Å; M86-W90 VanDerWaalsContact CG-CZ2 3.44Å; M86-W90 HydrophobicContact CG-CZ3 4.42Å; M86-L184 HydrophobicContact CB-CD1 4.42Å; M86-L184 HydrophobicContact CB-CD2 3.94Å |
| 87 | V | 96.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.7 | -27.8 | -176.7 | -59.2 | 0 | 0 | 0 | 0 | 112.9 | L30 F83 K89 W90 Y91 L93 L184 L187 | L30-V87 HydrophobicContact CD2-CB 3.87Å; L30-V87 HydrophobicContact CD2-CG1 4.12Å; L30-V87 HydrophobicContact CD2-CG2 4.01Å; F83-V87 HydrophobicContact CD1-CG2 4.21Å; F83-V87 HydrophobicContact CD2-CG1 4.12Å; F83-V87 HydrophobicContact CE1-CG1 4.34Å; F83-V87 HydrophobicContact CE1-CG2 3.9Å; F83-V87 HydrophobicContact CE2-CG1 3.73Å; F83-V87 HydrophobicContact CZ-CG1 3.84Å; F83-V87 HydrophobicContact CZ-CG2 4.19Å; F83-V87 WeakPolarHBondContact O-CG2 3.3Å; F83-V87 PolarHBondContact O-N 3.19Å; V87-K89 PolarHBondContact O-N 2.81Å; V87-W90 HydrophobicContact CG1-CE3 4.21Å; V87-W90 HydrophobicContact CG1-CZ3 4.29Å; V87-W90 PolarHBondContact O-N 3.22Å; V87-Y91 HydrophobicContact CB-CD2 4.36Å; V87-Y91 PolarHBondContact O-N 3.28Å; V87-L93 HydrophobicContact CB-CD2 4.3Å; V87-L93 HydrophobicContact CG2-CD1 4.08Å; V87-L93 HydrophobicContact CG2-CD2 3.79Å; V87-L184 HydrophobicContact CG1-CD2 3.91Å; V87-L187 HydrophobicContact CG1-CD1 3.78Å |
| 88 | S | 96.2 | Very high | 97.2 | Very high | 36 Ų | 36 | 25.4 Ų | 25.4 | 25% | 0.252 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -22 | 174.5 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | L84 D85 M86 W90 | L84-S88 WeakPolarHBondContact O-CB 3.32Å; L84-S88 PolarHBondContact O-N 2.9Å; L84-S88 PolarHBondContact O-OG 3.47Å; D85-S88 PolarHBondContact O-OG 3.3Å; M86-S88 VanDerWaalsContact C-N 3.31Å; M86-S88 PolarHBondContact O-N 3.22Å; S88-W90 VanDerWaalsContact C-N 3.29Å |
| 89 | K | 93.6 | Very high | 97.1 | Very high | 116 Ų | 116 | 25.5 Ų | 25.5 | 50% | 0.504 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -19.8 | 171.8 | -60.8 | 169.4 | -176.3 | 175.9 | 0 | 112.6 | D85 M86 V87 | D85-K89 VanDerWaalsContact O-CE 3.31Å; D85-K89 WeakPolarHBondContact O-CE 3.38Å; D85-K89 WeakPolarHBondContact O-CG 3.37Å; M86-K89 WeakPolarHBondContact O-CB 3.23Å; M86-K89 PolarHBondContact O-N 2.71Å; M86-K89 HydrophobicContact SD-CD 4.18Å; M86-K89 PolarHBondContact SD-NZ 2.74Å; M86-K89 VanDerWaalsContact SD-NZ 3.42Å; V87-K89 PolarHBondContact O-N 2.81Å |
| 90 | W | 93.3 | Very high | 97 | Very high | 9 Ų | 9 | 28.1 Ų | 28.1 | 3% | 0.034 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -28.8 | -170.2 | -53.6 | -21.5 | 0 | 0 | 0 | 112.7 | Y9 M86 V87 S88 L184 L187 D188 R191 | Y9-W90 HydrophobicContact CD1-CH2 4.18Å; Y9-W90 HydrophobicContact CD1-CZ2 4.01Å; Y9-W90 AromaticContact CE1-CH2 3.59Å; Y9-W90 HydrophobicContact CE1-CH2 3.59Å; Y9-W90 AromaticContact CE1-CZ2 3.48Å; Y9-W90 HydrophobicContact CE1-CZ2 3.48Å; Y9-W90 VanDerWaalsContact CE1-CZ2 3.48Å; Y9-W90 HydrophobicContact CE2-CH2 4.41Å; Y9-W90 AromaticContact CZ-CH2 3.71Å; M86-W90 HydrophobicContact CB-CH2 4.17Å; M86-W90 HydrophobicContact CB-CZ2 4.31Å; M86-W90 HydrophobicContact CG-CH2 3.6Å; M86-W90 HydrophobicContact CG-CZ2 3.44Å; M86-W90 VanDerWaalsContact CG-CZ2 3.44Å; M86-W90 HydrophobicContact CG-CZ3 4.42Å; V87-W90 HydrophobicContact CG1-CE3 4.21Å; V87-W90 HydrophobicContact CG1-CZ3 4.29Å; V87-W90 PolarHBondContact O-N 3.22Å; S88-W90 VanDerWaalsContact C-N 3.29Å; W90-L184 HydrophobicContact CH2-CB 4.43Å; W90-L184 HydrophobicContact CH2-CD2 4.28Å; W90-L184 HydrophobicContact CZ3-CD2 4.04Å; W90-L187 HydrophobicContact CZ3-CB 4.36Å; W90-D188 HydrophobicContact CE3-CB 4.33Å; W90-D188 HydrophobicContact CH2-CB 3.72Å; W90-D188 HydrophobicContact CZ2-CB 4.1Å; W90-D188 HydrophobicContact CZ3-CB 3.85Å; W90-R191 VanDerWaalsContact CD1-CZ 3.42Å |
| 91 | Y | 96.6 | Very high | 97 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 149.3 | -170.5 | -65.2 | -86.8 | 0 | 0 | 0 | 111.7 | K28 L30 V87 L93 L187 R191 | K28-Y91 HydrophobicContact CB-CD1 3.59Å; K28-Y91 HydrophobicContact CB-CE1 3.59Å; K28-Y91 HydrophobicContact CD-CE1 4.3Å; K28-Y91 WeakPolarHBondContact O-CA 3.48Å; L30-Y91 HydrophobicContact CB-CD1 3.94Å; L30-Y91 HydrophobicContact CB-CD2 4.37Å; L30-Y91 HydrophobicContact CB-CG 3.75Å; L30-Y91 HydrophobicContact CD2-CD2 4.31Å; L30-Y91 HydrophobicContact CD2-CG 4.5Å; V87-Y91 HydrophobicContact CB-CD2 4.36Å; V87-Y91 PolarHBondContact O-N 3.28Å; Y91-L93 PolarHBondContact O-N 3.33Å; Y91-L187 HydrophobicContact CE2-CB 4.16Å; Y91-L187 PolarHBondContact OH-O 2.83Å; Y91-R191 HydrophobicContact CE2-CB 4.44Å; Y91-R191 PolarHBondContact OH-N 3.03Å |
| 92 | L | 96.7 | Very high | 96.8 | Very high | 79 Ų | 79 | 35 Ų | 35 | 41% | 0.414 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 120 | 156.5 | 177.5 | 63.4 | 0 | 0 | 0 | 107.9 | K28 I29 L30 I120 | K28-L92 PolarHBondContact O-N 2.96Å; I29-L92 WeakPolarHBondContact CA-O 3.48Å; I29-L92 HydrophobicContact CG1-CB 4.38Å; I29-L92 HydrophobicContact CG1-CD2 4.32Å; L30-L92 PolarHBondContact N-O 3.24Å; L92-I120 HydrophobicContact CD1-CD1 3.88Å; L92-I120 HydrophobicContact CD2-CD1 3.84Å; L92-I120 HydrophobicContact CG-CD1 4.02Å |
| 93 | L | 98.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 137.3 | -178.7 | -51.9 | -174.3 | 0 | 0 | 0 | 110.8 | L30 L32 L84 V87 Y91 I117 L118 | L30-L93 HydrophobicContact CB-CD2 3.98Å; L30-L93 HydrophobicContact CD2-CD2 4.16Å; L30-L93 HydrophobicContact CG-CD2 4.49Å; L30-L93 WeakPolarHBondContact O-CA 3.34Å; L32-L93 HydrophobicContact CD1-CD1 4.46Å; L32-L93 HydrophobicContact CD1-CD2 4.47Å; L84-L93 HydrophobicContact CD2-CD1 4.17Å; V87-L93 HydrophobicContact CB-CD2 4.3Å; V87-L93 HydrophobicContact CG2-CD1 4.08Å; V87-L93 HydrophobicContact CG2-CD2 3.79Å; Y91-L93 PolarHBondContact O-N 3.33Å; L93-I117 HydrophobicContact CD1-CD1 4.48Å; L93-L118 HydrophobicContact CB-CD2 4.04Å; L93-L118 HydrophobicContact CD1-CD2 3.89Å |
| 94 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 121.4 | 173.6 | 179 | 0 | 0 | 0 | 0 | 108.2 | I29 L30 V31 L32 I120 I141 | I29-V94 HydrophobicContact CG2-CG2 3.71Å; L30-V94 PolarHBondContact O-N 3.25Å; V31-V94 CarbonylContact C-O 3.55Å; V31-V94 VanDerWaalsContact CA-O 3.3Å; V31-V94 WeakPolarHBondContact CA-O 3.27Å; V31-V94 HydrophobicContact CG2-CB 4.37Å; L32-V94 PolarHBondContact N-O 3.03Å; V94-I120 HydrophobicContact CB-CB 4.45Å; V94-I120 HydrophobicContact CB-CG2 4.35Å; V94-I120 HydrophobicContact CG1-CB 4.3Å; V94-I120 HydrophobicContact CG1-CG2 3.8Å; V94-I120 HydrophobicContact CG2-CB 4Å; V94-I120 HydrophobicContact CG2-CD1 4.14Å; V94-I120 HydrophobicContact CG2-CG2 3.89Å; V94-I141 HydrophobicContact CB-CD1 4.45Å; V94-I141 HydrophobicContact CG1-CD1 3.8Å; V94-I141 HydrophobicContact CG1-CG1 4.29Å; V94-I141 HydrophobicContact CG2-CG2 3.97Å |
| 95 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 126.4 | 166.4 | -62.1 | -56.4 | 0 | 0 | 0 | 107.7 | L32 L34 L38 T97 I108 L118 I120 R121 L122 | L32-I95 HydrophobicContact CB-CD1 4.05Å; L32-I95 WeakPolarHBondContact O-CA 3.21Å; L34-I95 HydrophobicContact CD1-CG2 3.96Å; L34-I95 HydrophobicContact CD2-CD1 3.97Å; L34-I95 HydrophobicContact CD2-CG2 3.87Å; L34-I95 HydrophobicContact CG-CG2 3.72Å; L38-I95 HydrophobicContact CD1-CD1 4.25Å; I95-T97 HydrophobicContact CG2-CG2 4.41Å; I95-I108 HydrophobicContact CB-CD1 4.25Å; I95-I108 HydrophobicContact CG1-CD1 4.42Å; I95-I108 HydrophobicContact CG1-CG1 4.25Å; I95-I108 HydrophobicContact CG1-CG2 4.08Å; I95-I108 HydrophobicContact CG2-CD1 3.74Å; I95-I108 HydrophobicContact CG2-CG1 4.08Å; I95-L118 HydrophobicContact CD1-CD1 4.24Å; I95-L118 HydrophobicContact CD1-CD2 4.01Å; I95-L118 HydrophobicContact CG1-CB 4.27Å; I95-L118 HydrophobicContact CG1-CD1 4.39Å; I95-L118 HydrophobicContact CG1-CD2 4.23Å; I95-I120 PolarHBondContact N-O 3.11Å; I95-R121 CarbonylContact O-C 3.19Å; I95-R121 WeakPolarHBondContact O-CA 3.37Å; I95-L122 PolarHBondContact O-N 2.81Å |
| 96 | Y | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 103.8 | 170.1 | -162.5 | 168.7 | 0 | 0 | 0 | 108.1 | V31 L32 L122 H126 K136 D137 I141 | V31-Y96 HydrophobicContact CG1-CD1 4.17Å; V31-Y96 HydrophobicContact CG1-CG 4.32Å; L32-Y96 PolarHBondContact O-N 3.34Å; Y96-L122 CarbonylContact C-O 3.54Å; Y96-L122 VanDerWaalsContact CA-O 3.25Å; Y96-L122 WeakPolarHBondContact CA-O 3.19Å; Y96-L122 HydrophobicContact CD1-CB 4.33Å; Y96-L122 HydrophobicContact CD1-CD1 3.78Å; Y96-L122 HydrophobicContact CD2-CB 3.39Å; Y96-L122 HydrophobicContact CD2-CD1 4.28Å; Y96-L122 HydrophobicContact CD2-CG 4.49Å; Y96-L122 HydrophobicContact CE1-CD1 3.8Å; Y96-L122 HydrophobicContact CE2-CB 3.76Å; Y96-L122 HydrophobicContact CE2-CD1 4.29Å; Y96-L122 HydrophobicContact CG-CB 3.73Å; Y96-L122 HydrophobicContact CG-CD1 4.03Å; Y96-H126 HydrophobicContact CE2-CB 4.17Å; Y96-H126 PolarHBondContact OH-O 3.25Å; Y96-K136 HydrophobicContact CD1-CB 3.67Å; Y96-K136 HydrophobicContact CD1-CD 4.16Å; Y96-K136 HydrophobicContact CD1-CG 4Å; Y96-K136 HydrophobicContact CD2-CB 4.39Å; Y96-K136 HydrophobicContact CD2-CD 4.08Å; Y96-K136 HydrophobicContact CD2-CG 3.88Å; Y96-K136 HydrophobicContact CE1-CB 3.43Å; Y96-K136 VanDerWaalsContact CE1-CB 3.43Å; Y96-K136 HydrophobicContact CE1-CG 4Å; Y96-K136 HydrophobicContact CE2-CB 4.2Å; Y96-K136 HydrophobicContact CE2-CG 3.88Å; Y96-K136 HydrophobicContact CG-CB 4.15Å; Y96-K136 HydrophobicContact CG-CD 3.85Å; Y96-K136 HydrophobicContact CG-CG 3.95Å; Y96-K136 WeakPolarHBondContact O-CE 3.43Å; Y96-K136 PolarHBondContact O-NZ 2.58Å; Y96-D137 PolarHBondContact OH-N 2.94Å; Y96-D137 VanDerWaalsContact OH-N 3.08Å; Y96-I141 HydrophobicContact CD1-CD1 3.92Å; Y96-I141 HydrophobicContact CE1-CD1 4.42Å |
| 97 | T | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | trans | -117 | 149.6 | -176.3 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | L34 I95 A99 A104 L122 Y123 R124 | L34-T97 HydrophobicContact CD1-CG2 3.84Å; L34-T97 HydrophobicContact CG-CG2 4.39Å; I95-T97 HydrophobicContact CG2-CG2 4.41Å; T97-A99 HydrophobicContact CG2-CB 4.25Å; T97-A99 PolarHBondContact O-N 3.19Å; T97-A99 VanDerWaalsContact OG1-CB 3.3Å; T97-A99 WeakPolarHBondContact OG1-CB 3.5Å; T97-A99 PolarHBondContact OG1-N 3.05Å; T97-A104 HydrophobicContact CG2-CB 3.96Å; T97-L122 PolarHBondContact N-O 3.09Å; T97-Y123 HydrophobicContact CG2-CD1 4.12Å; T97-Y123 CarbonylContact O-C 3.54Å; T97-Y123 WeakPolarHBondContact O-CA 3.49Å; T97-R124 PolarHBondContact O-N 2.97Å; T97-R124 VanDerWaalsContact O-N 3.15Å | ||
| 98 | A | 97.4 | Very high | 97.1 | Very high | 34 Ų | 34 | 34.1 Ų | 34.1 | 28% | 0.281 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -81 | 1.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R124 L134 | A98-R124 VanDerWaalsContact O-CB 3.22Å; A98-R124 WeakPolarHBondContact O-CB 3.46Å; A98-R124 WeakPolarHBondContact O-CD 3.15Å; A98-R124 WeakPolarHBondContact O-CG 3.3Å; A98-R124 PolarHBondContact O-NH1 2.75Å; A98-L134 HydrophobicContact CB-CD1 4.24Å |
| 99 | A | 96.9 | Very high | 97.2 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 13% | 0.132 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -83.7 | 161 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T97 Y103 R124 | T97-A99 HydrophobicContact CG2-CB 4.25Å; T97-A99 PolarHBondContact O-N 3.19Å; T97-A99 VanDerWaalsContact OG1-CB 3.3Å; T97-A99 WeakPolarHBondContact OG1-CB 3.5Å; T97-A99 PolarHBondContact OG1-N 3.05Å; A99-Y103 HydrophobicContact CB-CD1 3.47Å; A99-Y103 VanDerWaalsContact CB-CD1 3.47Å; A99-Y103 HydrophobicContact CB-CE1 3.86Å; A99-Y103 HydrophobicContact CB-CG 4.46Å; A99-R124 WeakPolarHBondContact O-CB 3.5Å; A99-R124 PolarHBondContact O-N 2.85Å |
| 100 | M | 95.9 | Very high | 97.5 | Very high | 108 Ų | 108 | 33 Ų | 33 | 53% | 0.532 | 17% | 0.173 | S | C | . | . | trans | -72.5 | 149.6 | 175.6 | -62.6 | -63.7 | -80.4 | 0 | 0 | 110.7 | E102 Y103 A104 R124 | M100-E102 VanDerWaalsContact C-N 3.34Å; M100-E102 PolarHBondContact O-N 3.29Å; M100-Y103 WeakPolarHBondContact O-CB 3.37Å; M100-Y103 PolarHBondContact O-N 2.83Å; M100-Y103 VanDerWaalsContact O-N 3.12Å; M100-A104 WeakPolarHBondContact O-CB 3.31Å; M100-A104 PolarHBondContact O-N 2.75Å; M100-R124 HydrophobicContact SD-CB 4.06Å; M100-R124 HydrophobicContact SD-CG 4.41Å | ||
| 101 | E | 96.9 | Very high | 97.7 | Very high | 73 Ų | 73 | 32.6 Ų | 32.6 | 34% | 0.341 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.4 | -43.6 | -178.1 | -175.7 | 164.9 | 178.3 | 0 | 0 | 112.6 | Y103 A104 D105 Y123 K125 | E101-Y103 PolarHBondContact O-N 3.46Å; E101-Y103 VanDerWaalsContact O-N 3.15Å; E101-A104 PolarHBondContact O-N 2.92Å; E101-A104 VanDerWaalsContact O-N 3.11Å; E101-D105 WeakPolarHBondContact O-CB 3.33Å; E101-D105 PolarHBondContact O-N 3.35Å; E101-Y123 HydrophobicContact CB-CD1 3.99Å; E101-Y123 HydrophobicContact CB-CD2 3.97Å; E101-Y123 HydrophobicContact CB-CE1 4.18Å; E101-Y123 HydrophobicContact CB-CE2 4.21Å; E101-Y123 HydrophobicContact CB-CG 3.86Å; E101-Y123 HydrophobicContact CG-CD1 4.28Å; E101-Y123 HydrophobicContact CG-CD2 3.95Å; E101-Y123 HydrophobicContact CG-CE1 3.98Å; E101-Y123 HydrophobicContact CG-CE2 3.68Å; E101-Y123 HydrophobicContact CG-CG 4.24Å; E101-K125 IonicContact OE2-NZ 3.81Å; E101-K125 PolarHBondContact OE2-NZ 2.82Å |
| 102 | E | 95.3 | Very high | 97.8 | Very high | 133 Ų | 133 | 32.8 Ų | 32.8 | 62% | 0.621 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -56.8 | -31.1 | 177.1 | -61.9 | 169.1 | -144.9 | 0 | 0 | 113.6 | M100 | M100-E102 VanDerWaalsContact C-N 3.34Å; M100-E102 PolarHBondContact O-N 3.29Å |
| 103 | Y | 96 | Very high | 97.8 | Very high | 16 Ų | 16 | 31.4 Ų | 31.4 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -83.2 | -46.6 | 175.3 | 165.2 | -90.1 | 0 | 0 | 0 | 111.3 | D35 S41 Y43 F61 I63 T72 A99 M100 E101 P106 I107 | D35-Y103 VanDerWaalsContact OD1-CE1 3.31Å; D35-Y103 WeakPolarHBondContact OD1-CE1 3.3Å; D35-Y103 VanDerWaalsContact OD1-CZ 3.24Å; D35-Y103 PolarHBondContact OD1-OH 2.89Å; D35-Y103 VanDerWaalsContact OD2-CE1 3.25Å; D35-Y103 WeakPolarHBondContact OD2-CE1 3.38Å; S41-Y103 WeakPolarHBondContact CB-OH 3.49Å; S41-Y103 PolarHBondContact OG-OH 2.74Å; Y43-Y103 HydrophobicContact CE1-CD2 4.49Å; Y43-Y103 HydrophobicContact CE1-CE2 4.22Å; Y43-Y103 WeakPolarHBondContact OH-CE2 3.37Å; F61-Y103 HydrophobicContact CZ-CD2 4.22Å; F61-Y103 WeakPolarHBondContact CZ-O 3.34Å; I63-Y103 HydrophobicContact CD1-CD2 3.44Å; I63-Y103 VanDerWaalsContact CD1-CD2 3.44Å; I63-Y103 HydrophobicContact CD1-CE2 4.41Å; I63-Y103 HydrophobicContact CD1-CG 4.17Å; T72-Y103 HydrophobicContact CG2-CE2 4.12Å; A99-Y103 HydrophobicContact CB-CD1 3.47Å; A99-Y103 VanDerWaalsContact CB-CD1 3.47Å; A99-Y103 HydrophobicContact CB-CE1 3.86Å; A99-Y103 HydrophobicContact CB-CG 4.46Å; M100-Y103 WeakPolarHBondContact O-CB 3.37Å; M100-Y103 PolarHBondContact O-N 2.83Å; M100-Y103 VanDerWaalsContact O-N 3.12Å; E101-Y103 PolarHBondContact O-N 3.46Å; E101-Y103 VanDerWaalsContact O-N 3.15Å; Y103-P106 WeakPolarHBondContact O-CD 3.25Å; Y103-I107 HydrophobicContact CD1-CD1 4.08Å; Y103-I107 HydrophobicContact CD2-CD1 4.33Å; Y103-I107 HydrophobicContact CE1-CD1 3.47Å; Y103-I107 VanDerWaalsContact CE1-CD1 3.47Å; Y103-I107 HydrophobicContact CE2-CD1 3.7Å; Y103-I107 HydrophobicContact CG-CD1 4.48Å; Y103-I107 WeakPolarHBondContact OH-CD1 3.34Å |
| 104 | A | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.8 | -37.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L34 T97 M100 E101 I107 I108 Y123 | L34-A104 HydrophobicContact CD1-CB 3.8Å; T97-A104 HydrophobicContact CG2-CB 3.96Å; M100-A104 WeakPolarHBondContact O-CB 3.31Å; M100-A104 PolarHBondContact O-N 2.75Å; E101-A104 PolarHBondContact O-N 2.92Å; E101-A104 VanDerWaalsContact O-N 3.11Å; A104-I107 WeakPolarHBondContact O-CB 3.48Å; A104-I107 PolarHBondContact O-N 3.39Å; A104-I107 VanDerWaalsContact O-N 3.12Å; A104-I108 HydrophobicContact CB-CD1 4.02Å; A104-I108 VanDerWaalsContact O-CG1 3.24Å; A104-I108 WeakPolarHBondContact O-CG1 3.45Å; A104-I108 PolarHBondContact O-N 3.18Å; A104-Y123 HydrophobicContact CB-CD1 3.81Å; A104-Y123 HydrophobicContact CB-CE1 3.86Å |
| 105 | D | 97.9 | Very high | 97.6 | Very high | 43 Ų | 43 | 41.2 Ų | 41.2 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.9 | -47.5 | -173.1 | -92 | -8 | 0 | 0 | 0 | 114.7 | E101 I107 I108 N109 R121 Y123 | E101-D105 WeakPolarHBondContact O-CB 3.33Å; E101-D105 PolarHBondContact O-N 3.35Å; D105-I107 PolarHBondContact O-N 2.92Å; D105-I108 PolarHBondContact O-N 3.06Å; D105-N109 VanDerWaalsContact O-CB 3.31Å; D105-N109 WeakPolarHBondContact O-CB 3.36Å; D105-N109 PolarHBondContact O-N 2.85Å; D105-N109 PolarHBondContact O-ND2 3.45Å; D105-R121 IonicContact OD1-NH1 2.8Å; D105-R121 PolarHBondContact OD1-NH1 3.06Å; D105-Y123 PolarHBondContact OD1-OH 3.15Å |
| 106 | P | 98 | Very high | 97.5 | Very high | 42 Ų | 42 | 42.9 Ų | 42.9 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -54.7 | -39.3 | 174.3 | -27.5 | 35.6 | 0 | 0 | 0 | 112.7 | L59 F61 Y103 M110 | L59-P106 HydrophobicContact CD2-CB 3.97Å; F61-P106 HydrophobicContact CD1-CB 4.34Å; F61-P106 HydrophobicContact CD2-CB 4.26Å; F61-P106 HydrophobicContact CD2-CG 4.04Å; F61-P106 HydrophobicContact CE1-CB 4.25Å; F61-P106 HydrophobicContact CE2-CB 4.15Å; F61-P106 HydrophobicContact CE2-CG 3.86Å; F61-P106 HydrophobicContact CG-CB 4.34Å; F61-P106 HydrophobicContact CZ-CB 4.16Å; F61-P106 HydrophobicContact CZ-CG 4.29Å; Y103-P106 WeakPolarHBondContact O-CD 3.25Å; P106-M110 WeakPolarHBondContact O-CB 3.31Å; P106-M110 PolarHBondContact O-N 3.19Å |
| 107 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71 | -49 | -179.4 | -59.9 | 176.4 | 0 | 0 | 0 | 110.6 | V39 L59 F61 V74 Y103 A104 D105 N109 M110 L111 | V39-I107 HydrophobicContact CB-CG2 4.41Å; V39-I107 HydrophobicContact CG1-CG2 3.91Å; V39-I107 HydrophobicContact CG2-CG2 3.8Å; L59-I107 HydrophobicContact CD2-CG1 4.26Å; F61-I107 HydrophobicContact CE1-CD1 4.44Å; F61-I107 HydrophobicContact CE1-CG1 4.08Å; F61-I107 HydrophobicContact CZ-CD1 4.35Å; F61-I107 HydrophobicContact CZ-CG1 4.2Å; V74-I107 HydrophobicContact CG1-CD1 4.11Å; V74-I107 HydrophobicContact CG1-CG1 4.14Å; V74-I107 HydrophobicContact CG1-CG2 4.27Å; V74-I107 HydrophobicContact CG2-CD1 3.92Å; V74-I107 HydrophobicContact CG2-CG1 3.99Å; Y103-I107 HydrophobicContact CD1-CD1 4.08Å; Y103-I107 HydrophobicContact CD2-CD1 4.33Å; Y103-I107 HydrophobicContact CE1-CD1 3.47Å; Y103-I107 VanDerWaalsContact CE1-CD1 3.47Å; Y103-I107 HydrophobicContact CE2-CD1 3.7Å; Y103-I107 HydrophobicContact CG-CD1 4.48Å; Y103-I107 WeakPolarHBondContact OH-CD1 3.34Å; A104-I107 WeakPolarHBondContact O-CB 3.48Å; A104-I107 PolarHBondContact O-N 3.39Å; A104-I107 VanDerWaalsContact O-N 3.12Å; D105-I107 PolarHBondContact O-N 2.92Å; I107-N109 VanDerWaalsContact C-N 3.26Å; I107-N109 PolarHBondContact O-N 3.34Å; I107-M110 HydrophobicContact CG2-CE 4.45Å; I107-M110 PolarHBondContact O-N 2.86Å; I107-L111 HydrophobicContact CG2-CD1 4.06Å; I107-L111 HydrophobicContact CG2-CG 4.43Å; I107-L111 WeakPolarHBondContact O-CB 3.33Å; I107-L111 WeakPolarHBondContact O-CG 3.47Å; I107-L111 PolarHBondContact O-N 3.32Å |
| 108 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 178.6 | -60.8 | 163.1 | 0 | 0 | 0 | 110 | L34 I95 A104 D105 L111 D112 L118 R121 Y123 | L34-I108 HydrophobicContact CD1-CD1 4.01Å; L34-I108 HydrophobicContact CD1-CG1 3.7Å; L34-I108 HydrophobicContact CD2-CG1 4.08Å; L34-I108 HydrophobicContact CG-CG1 4.48Å; I95-I108 HydrophobicContact CB-CD1 4.25Å; I95-I108 HydrophobicContact CG1-CD1 4.42Å; I95-I108 HydrophobicContact CG1-CG1 4.25Å; I95-I108 HydrophobicContact CG1-CG2 4.08Å; I95-I108 HydrophobicContact CG2-CD1 3.74Å; I95-I108 HydrophobicContact CG2-CG1 4.08Å; A104-I108 HydrophobicContact CB-CD1 4.02Å; A104-I108 VanDerWaalsContact O-CG1 3.24Å; A104-I108 WeakPolarHBondContact O-CG1 3.45Å; A104-I108 PolarHBondContact O-N 3.18Å; D105-I108 PolarHBondContact O-N 3.06Å; I108-L111 CarbonylContact O-C 3.07Å; I108-L111 PolarHBondContact O-N 2.63Å; I108-D112 VanDerWaalsContact O-CB 3.29Å; I108-D112 WeakPolarHBondContact O-CB 3.49Å; I108-D112 PolarHBondContact O-N 3.31Å; I108-L118 HydrophobicContact CG2-CB 3.72Å; I108-L118 HydrophobicContact CG2-CD1 4Å; I108-R121 HydrophobicContact CD1-CB 4.47Å; I108-R121 HydrophobicContact CD1-CG 4.15Å; I108-R121 HydrophobicContact CG2-CG 4.42Å; I108-R121 VanDerWaalsContact CG2-CZ 3.41Å; I108-Y123 HydrophobicContact CD1-CE1 3.97Å |
| 109 | N | 98.6 | Very high | 97.4 | Very high | 86 Ų | 86 | 48.5 Ų | 48.5 | 46% | 0.46 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 177.3 | -68.1 | -19.8 | 0 | 0 | 0 | 112.2 | D105 I107 L111 D112 G113 R121 | D105-N109 VanDerWaalsContact O-CB 3.31Å; D105-N109 WeakPolarHBondContact O-CB 3.36Å; D105-N109 PolarHBondContact O-N 2.85Å; D105-N109 PolarHBondContact O-ND2 3.45Å; I107-N109 VanDerWaalsContact C-N 3.26Å; I107-N109 PolarHBondContact O-N 3.34Å; N109-L111 VanDerWaalsContact C-N 3.35Å; N109-D112 PolarHBondContact O-N 2.9Å; N109-G113 PolarHBondContact O-N 2.76Å; N109-R121 VanDerWaalsContact OD1-CZ 3.3Å; N109-R121 PolarHBondContact OD1-NH1 2.63Å; N109-R121 PolarHBondContact OD1-NH2 3.12Å |
| 110 | M | 98.4 | Very high | 97.5 | Very high | 43 Ų | 43 | 51.2 Ų | 51.2 | 21% | 0.212 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 172.5 | 176.1 | -154.7 | 60.2 | 0 | 0 | 110.8 | V39 D58 L59 K76 P106 I107 D112 G113 | V39-M110 HydrophobicContact CG1-CE 4.37Å; D58-M110 HydrophobicContact CB-SD 3.84Å; L59-M110 HydrophobicContact CB-CG 4.41Å; L59-M110 HydrophobicContact CB-SD 3.48Å; L59-M110 WeakPolarHBondContact CB-SD 3.29Å; L59-M110 HydrophobicContact CD2-CB 4.25Å; L59-M110 HydrophobicContact CD2-SD 4.44Å; K76-M110 HydrophobicContact CD-CE 4.02Å; K76-M110 HydrophobicContact CD-SD 4.44Å; K76-M110 HydrophobicContact CG-CE 3.7Å; K76-M110 HydrophobicContact CG-SD 4.38Å; P106-M110 WeakPolarHBondContact O-CB 3.31Å; P106-M110 PolarHBondContact O-N 3.19Å; I107-M110 HydrophobicContact CG2-CE 4.45Å; I107-M110 PolarHBondContact O-N 2.86Å; M110-D112 VanDerWaalsContact C-N 3.34Å; M110-G113 PolarHBondContact O-N 3.46Å |
| 111 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.5 | -36.2 | 178.2 | -71.6 | 175 | 0 | 0 | 0 | 111.7 | L34 L38 V39 K76 V80 L84 I107 I108 N109 R115 L118 | L34-L111 HydrophobicContact CD2-CD1 4.03Å; L38-L111 HydrophobicContact CB-CD1 4.26Å; L38-L111 HydrophobicContact CD1-CD1 4.21Å; V39-L111 HydrophobicContact CG1-CD1 3.99Å; V39-L111 HydrophobicContact CG1-CD2 4.04Å; V39-L111 HydrophobicContact CG1-CG 4.3Å; K76-L111 HydrophobicContact CD-CD2 3.97Å; K76-L111 HydrophobicContact CG-CD2 4.08Å; V80-L111 HydrophobicContact CG1-CD2 4.06Å; V80-L111 HydrophobicContact CG2-CD2 4.03Å; L84-L111 HydrophobicContact CD1-CB 4.16Å; L84-L111 HydrophobicContact CD1-CD2 4.45Å; I107-L111 HydrophobicContact CG2-CD1 4.06Å; I107-L111 HydrophobicContact CG2-CG 4.43Å; I107-L111 WeakPolarHBondContact O-CB 3.33Å; I107-L111 WeakPolarHBondContact O-CG 3.47Å; I107-L111 PolarHBondContact O-N 3.32Å; I108-L111 CarbonylContact O-C 3.07Å; I108-L111 PolarHBondContact O-N 2.63Å; N109-L111 VanDerWaalsContact C-N 3.35Å; L111-R115 PolarHBondContact O-NH2 3.01Å; L111-L118 HydrophobicContact CB-CD1 3.87Å |
| 112 | D | 98.5 | Very high | 97.7 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 6% | 0.059 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.4 | -37.5 | 179 | -174.7 | 75.5 | 0 | 0 | 0 | 111.6 | I108 N109 M110 S114 R115 G116 I117 L118 | I108-D112 VanDerWaalsContact O-CB 3.29Å; I108-D112 WeakPolarHBondContact O-CB 3.49Å; I108-D112 PolarHBondContact O-N 3.31Å; N109-D112 PolarHBondContact O-N 2.9Å; M110-D112 VanDerWaalsContact C-N 3.34Å; D112-S114 PolarHBondContact O-N 2.92Å; D112-S114 WeakPolarHBondContact OD2-CA 3.41Å; D112-S114 PolarHBondContact OD2-N 2.72Å; D112-R115 VanDerWaalsContact O-CB 3.31Å; D112-R115 WeakPolarHBondContact O-CB 3.43Å; D112-R115 WeakPolarHBondContact O-CG 2.94Å; D112-R115 PolarHBondContact O-N 3.48Å; D112-R115 VanDerWaalsContact O-N 3.14Å; D112-R115 PolarHBondContact O-NE 3.46Å; D112-R115 PolarHBondContact OD2-N 3.43Å; D112-G116 PolarHBondContact OD1-N 3.39Å; D112-G116 PolarHBondContact OD2-N 2.88Å; D112-I117 WeakPolarHBondContact OD1-CG1 3.16Å; D112-I117 PolarHBondContact OD1-N 3.3Å; D112-L118 HydrophobicContact CB-CB 4.21Å; D112-L118 HydrophobicContact CB-CD1 4.26Å; D112-L118 HydrophobicContact CB-CG 4.32Å; D112-L118 PolarHBondContact OD1-N 2.93Å |
| 113 | G | 96.9 | Very high | 97.8 | Very high | 50 Ų | 50 | 40.3 Ų | 40.3 | 52% | 0.515 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 33.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N109 M110 R115 | N109-G113 PolarHBondContact O-N 2.76Å; M110-G113 PolarHBondContact O-N 3.46Å; G113-R115 PolarHBondContact O-N 2.94Å |
| 114 | S | 95.4 | Very high | 97.9 | Very high | 124 Ų | 124 | 45.2 Ų | 45.2 | 87% | 0.867 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 20.6 | -177.5 | -52.2 | 0 | 0 | 0 | 0 | 115.1 | D112 G116 | D112-S114 PolarHBondContact O-N 2.92Å; D112-S114 WeakPolarHBondContact OD2-CA 3.41Å; D112-S114 PolarHBondContact OD2-N 2.72Å; S114-G116 VanDerWaalsContact C-N 3.35Å |
| 115 | R | 97.2 | Very high | 97.9 | Very high | 85 Ų | 85 | 51.8 Ų | 51.8 | 32% | 0.321 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -77.6 | -21.7 | 175.2 | -67.8 | 174.4 | -74.7 | -175.9 | -5.1 | 112.4 | D85 L111 D112 G113 I117 | D85-R115 VanDerWaalsContact CG-NH1 3.3Å; D85-R115 IonicContact OD1-CZ 3.91Å; D85-R115 IonicContact OD1-NH1 3.49Å; D85-R115 PolarHBondContact OD1-NH1 2.96Å; D85-R115 IonicContact OD2-NH1 3.04Å; L111-R115 PolarHBondContact O-NH2 3.01Å; D112-R115 VanDerWaalsContact O-CB 3.31Å; D112-R115 WeakPolarHBondContact O-CB 3.43Å; D112-R115 WeakPolarHBondContact O-CG 2.94Å; D112-R115 PolarHBondContact O-N 3.48Å; D112-R115 VanDerWaalsContact O-N 3.14Å; D112-R115 PolarHBondContact O-NE 3.46Å; D112-R115 PolarHBondContact OD2-N 3.43Å; G113-R115 PolarHBondContact O-N 2.94Å; R115-I117 VanDerWaalsContact C-N 3.29Å; R115-I117 HydrophobicContact CB-CD1 4.36Å; R115-I117 HydrophobicContact CB-CG1 4.08Å; R115-I117 HydrophobicContact CB-CG2 4.08Å; R115-I117 PolarHBondContact O-N 3.1Å |
| 116 | G | 97.1 | Very high | 97.9 | Very high | 35 Ų | 35 | 52.5 Ų | 52.5 | 36% | 0.361 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 69.5 | 26.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | D112 S114 N119 | D112-G116 PolarHBondContact OD1-N 3.39Å; D112-G116 PolarHBondContact OD2-N 2.88Å; S114-G116 VanDerWaalsContact C-N 3.35Å; G116-N119 PolarHBondContact O-ND2 3.02Å |
| 117 | I | 98.1 | Very high | 97.8 | Very high | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.195 | 27% | 0.273 | C | S | . | . | trans | -92.6 | -18.2 | 179.6 | 61.5 | 175.2 | 0 | 0 | 0 | 112 | L84 L93 D112 R115 | L84-I117 HydrophobicContact CB-CD1 4.17Å; L93-I117 HydrophobicContact CD1-CD1 4.48Å; D112-I117 WeakPolarHBondContact OD1-CG1 3.16Å; D112-I117 PolarHBondContact OD1-N 3.3Å; R115-I117 VanDerWaalsContact C-N 3.29Å; R115-I117 HydrophobicContact CB-CD1 4.36Å; R115-I117 HydrophobicContact CB-CG1 4.08Å; R115-I117 HydrophobicContact CB-CG2 4.08Å; R115-I117 PolarHBondContact O-N 3.1Å | ||
| 118 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -111.5 | 45.2 | 179.7 | -54 | -177.1 | 0 | 0 | 0 | 113 | L84 L93 I95 I108 L111 D112 R121 | L84-L118 HydrophobicContact CD1-CD1 4.35Å; L84-L118 HydrophobicContact CD2-CD2 4.27Å; L93-L118 HydrophobicContact CB-CD2 4.04Å; L93-L118 HydrophobicContact CD1-CD2 3.89Å; I95-L118 HydrophobicContact CD1-CD1 4.24Å; I95-L118 HydrophobicContact CD1-CD2 4.01Å; I95-L118 HydrophobicContact CG1-CB 4.27Å; I95-L118 HydrophobicContact CG1-CD1 4.39Å; I95-L118 HydrophobicContact CG1-CD2 4.23Å; I108-L118 HydrophobicContact CG2-CB 3.72Å; I108-L118 HydrophobicContact CG2-CD1 4Å; L111-L118 HydrophobicContact CB-CD1 3.87Å; D112-L118 HydrophobicContact CB-CB 4.21Å; D112-L118 HydrophobicContact CB-CD1 4.26Å; D112-L118 HydrophobicContact CB-CG 4.32Å; D112-L118 PolarHBondContact OD1-N 2.93Å; L118-R121 PolarHBondContact O-NE 2.74Å | ||
| 119 | N | 95.7 | Very high | 97.4 | Very high | 116 Ų | 116 | 59.7 Ų | 59.7 | 62% | 0.62 | 33% | 0.325 | S | S | * | . | trans | -79.6 | -24.2 | -176.5 | -68.7 | -22.4 | 0 | 0 | 0 | 114 | G116 | G116-N119 PolarHBondContact O-ND2 3.02Š| ||
| 120 | I | 98.2 | Very high | 96.9 | Very high | 72 Ų | 72 | 58.5 Ų | 58.5 | 37% | 0.369 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 116.1 | 179.8 | -50.9 | 175.8 | 0 | 0 | 0 | 108.2 | L92 V94 I95 | L92-I120 HydrophobicContact CD1-CD1 3.88Å; L92-I120 HydrophobicContact CD2-CD1 3.84Å; L92-I120 HydrophobicContact CG-CD1 4.02Å; V94-I120 HydrophobicContact CB-CB 4.45Å; V94-I120 HydrophobicContact CB-CG2 4.35Å; V94-I120 HydrophobicContact CG1-CB 4.3Å; V94-I120 HydrophobicContact CG1-CG2 3.8Å; V94-I120 HydrophobicContact CG2-CB 4Å; V94-I120 HydrophobicContact CG2-CD1 4.14Å; V94-I120 HydrophobicContact CG2-CG2 3.89Å; I95-I120 PolarHBondContact N-O 3.11Å |
| 121 | R | 98.5 | Very high | 96.3 | Very high | 49 Ų | 49 | 63.6 Ų | 63.6 | 19% | 0.185 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 123.1 | -170.2 | -54 | 176.8 | -175 | -166.9 | 1.7 | 110.7 | I95 D105 I108 N109 L118 Y123 | I95-R121 CarbonylContact O-C 3.19Å; I95-R121 WeakPolarHBondContact O-CA 3.37Å; D105-R121 IonicContact OD1-NH1 2.8Å; D105-R121 PolarHBondContact OD1-NH1 3.06Å; I108-R121 HydrophobicContact CD1-CB 4.47Å; I108-R121 HydrophobicContact CD1-CG 4.15Å; I108-R121 HydrophobicContact CG2-CG 4.42Å; I108-R121 VanDerWaalsContact CG2-CZ 3.41Å; N109-R121 VanDerWaalsContact OD1-CZ 3.3Å; N109-R121 PolarHBondContact OD1-NH1 2.63Å; N109-R121 PolarHBondContact OD1-NH2 3.12Å; L118-R121 PolarHBondContact O-NE 2.74Å; R121-Y123 HydrophobicContact CB-CE1 4.16Å; R121-Y123 HydrophobicContact CB-CE2 4.04Å; R121-Y123 VanDerWaalsContact CB-OH 3.31Å; R121-Y123 WeakPolarHBondContact CB-OH 3.26Å; R121-Y123 WeakPolarHBondContact CD-OH 3.45Å |
| 122 | L | 98.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 70.6 Ų | 70.6 | 11% | 0.11 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 122.1 | 173.3 | -62.9 | 179.8 | 0 | 0 | 0 | 109.2 | I95 Y96 T97 H126 I140 I141 | I95-L122 PolarHBondContact O-N 2.81Å; Y96-L122 CarbonylContact C-O 3.54Å; Y96-L122 VanDerWaalsContact CA-O 3.25Å; Y96-L122 WeakPolarHBondContact CA-O 3.19Å; Y96-L122 HydrophobicContact CD1-CB 4.33Å; Y96-L122 HydrophobicContact CD1-CD1 3.78Å; Y96-L122 HydrophobicContact CD2-CB 3.39Å; Y96-L122 HydrophobicContact CD2-CD1 4.28Å; Y96-L122 HydrophobicContact CD2-CG 4.49Å; Y96-L122 HydrophobicContact CE1-CD1 3.8Å; Y96-L122 HydrophobicContact CE2-CB 3.76Å; Y96-L122 HydrophobicContact CE2-CD1 4.29Å; Y96-L122 HydrophobicContact CG-CB 3.73Å; Y96-L122 HydrophobicContact CG-CD1 4.03Å; T97-L122 PolarHBondContact N-O 3.09Å; L122-H126 WeakPolarHBondContact CA-ND1 3.44Å; L122-H126 HydrophobicContact CB-CB 4.22Å; L122-H126 HydrophobicContact CD2-CB 4.18Å; L122-I140 HydrophobicContact CD1-CG2 4.33Å; L122-I141 HydrophobicContact CD1-CD1 3.85Å; L122-I141 HydrophobicContact CD1-CG1 3.58Å |
| 123 | Y | 98.4 | Very high | 95.2 | Very high | 15 Ų | 15 | 72.2 Ų | 72.2 | 6% | 0.059 | 40% | 0.401 | C | S | . | . | trans | -100.9 | -175.2 | 179.6 | -45.5 | -78.9 | 0 | 0 | 0 | 112.6 | T97 E101 A104 D105 I108 R121 K125 H126 | T97-Y123 HydrophobicContact CG2-CD1 4.12Å; T97-Y123 CarbonylContact O-C 3.54Å; T97-Y123 WeakPolarHBondContact O-CA 3.49Å; E101-Y123 HydrophobicContact CB-CD1 3.99Å; E101-Y123 HydrophobicContact CB-CD2 3.97Å; E101-Y123 HydrophobicContact CB-CE1 4.18Å; E101-Y123 HydrophobicContact CB-CE2 4.21Å; E101-Y123 HydrophobicContact CB-CG 3.86Å; E101-Y123 HydrophobicContact CG-CD1 4.28Å; E101-Y123 HydrophobicContact CG-CD2 3.95Å; E101-Y123 HydrophobicContact CG-CE1 3.98Å; E101-Y123 HydrophobicContact CG-CE2 3.68Å; E101-Y123 HydrophobicContact CG-CG 4.24Å; A104-Y123 HydrophobicContact CB-CD1 3.81Å; A104-Y123 HydrophobicContact CB-CE1 3.86Å; D105-Y123 PolarHBondContact OD1-OH 3.15Å; I108-Y123 HydrophobicContact CD1-CE1 3.97Å; R121-Y123 HydrophobicContact CB-CE1 4.16Å; R121-Y123 HydrophobicContact CB-CE2 4.04Å; R121-Y123 VanDerWaalsContact CB-OH 3.31Å; R121-Y123 WeakPolarHBondContact CB-OH 3.26Å; R121-Y123 WeakPolarHBondContact CD-OH 3.45Å; Y123-K125 PolarHBondContact O-N 3.28Å; Y123-H126 AromaticContact CD2-CE1 3.93Å; Y123-H126 PolarHBondContact N-ND1 3.26Å; Y123-H126 PolarHBondContact O-N 2.92Å; Y123-H126 PolarHBondContact O-ND1 3.13Å | ||
| 124 | R | 97.6 | Very high | 95 | Very high | 119 Ų | 119 | 72 Ų | 72 | 45% | 0.449 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -44.4 | -41.1 | 176.8 | -166.1 | 174.3 | -171.3 | 86.7 | -1.3 | 114.4 | T97 A98 A99 M100 H126 C127 L134 | T97-R124 PolarHBondContact O-N 2.97Å; T97-R124 VanDerWaalsContact O-N 3.15Å; A98-R124 VanDerWaalsContact O-CB 3.22Å; A98-R124 WeakPolarHBondContact O-CB 3.46Å; A98-R124 WeakPolarHBondContact O-CD 3.15Å; A98-R124 WeakPolarHBondContact O-CG 3.3Å; A98-R124 PolarHBondContact O-NH1 2.75Å; A99-R124 WeakPolarHBondContact O-CB 3.5Å; A99-R124 PolarHBondContact O-N 2.85Å; M100-R124 HydrophobicContact SD-CB 4.06Å; M100-R124 HydrophobicContact SD-CG 4.41Å; R124-H126 PolarHBondContact O-N 3.06Å; R124-C127 WeakPolarHBondContact O-CB 3.34Å; R124-C127 PolarHBondContact O-N 3.3Å; R124-L134 HydrophobicContact CG-CD1 3.77Å; R124-L134 VanDerWaalsContact CZ-CD1 3.42Å |
| 125 | K | 97.1 | Very high | 95.1 | Very high | 139 Ų | 139 | 66.2 Ų | 66.2 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -62.1 | -20.3 | -178.9 | 70.2 | -172.1 | -178.1 | -164.6 | 0 | 113.9 | E101 Y123 | E101-K125 IonicContact OE2-NZ 3.81Å; E101-K125 PolarHBondContact OE2-NZ 2.82Å; Y123-K125 PolarHBondContact O-N 3.28Å |
| 126 | H | 97.9 | Very high | 95.1 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 27% | 0.269 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -97.6 | -6.9 | 176.9 | -45.8 | 109.8 | 0 | 0 | 0 | 112.6 | Y96 L122 Y123 R124 | Y96-H126 HydrophobicContact CE2-CB 4.17Å; Y96-H126 PolarHBondContact OH-O 3.25Å; L122-H126 WeakPolarHBondContact CA-ND1 3.44Å; L122-H126 HydrophobicContact CB-CB 4.22Å; L122-H126 HydrophobicContact CD2-CB 4.18Å; Y123-H126 AromaticContact CD2-CE1 3.93Å; Y123-H126 PolarHBondContact N-ND1 3.26Å; Y123-H126 PolarHBondContact O-N 2.92Å; Y123-H126 PolarHBondContact O-ND1 3.13Å; R124-H126 PolarHBondContact O-N 3.06Å |
| 127 | C | 97.1 | Very high | 95.1 | Very high | 11 Ų | 11 | 62.2 Ų | 62.2 | 7% | 0.074 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -72.4 | 149.2 | 173.6 | -63.3 | 0 | 0 | 0 | 0 | 110.5 | R124 L134 | R124-C127 WeakPolarHBondContact O-CB 3.34Å; R124-C127 PolarHBondContact O-N 3.3Å; C127-L134 HydrophobicContact CB-CB 3.95Å; C127-L134 HydrophobicContact CB-CD1 4.19Å; C127-L134 HydrophobicContact CB-CD2 4.06Å; C127-L134 HydrophobicContact CB-CG 4.29Å |
| 128 | L | 95 | Very high | 95.1 | Very high | 74 Ų | 74 | 60.4 Ų | 60.4 | 39% | 0.387 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.1 | 173.3 | -62.8 | -178.6 | 0 | 0 | 0 | 110.2 | L130 L134 T135 D137 | L128-L130 PolarHBondContact O-N 3.27Å; L128-L134 WeakPolarHBondContact O-CA 3.23Å; L128-T135 HydrophobicContact CB-CG2 3.92Å; L128-T135 PolarHBondContact N-O 2.7Å; L128-T135 PolarHBondContact O-N 3.19Å; L128-D137 HydrophobicContact CD1-CB 3.65Å; L128-D137 HydrophobicContact CG-CB 4.04Å |
| 129 | P | 93.3 | Very high | 95 | Very high | 108 Ų | 108 | 67.5 Ų | 67.5 | 70% | 0.701 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 120.4 | 167.7 | 29.2 | -31.3 | 0 | 0 | 0 | 109.1 | ||
| 130 | L | 89.4 | Confident | 95 | Very high | 61 Ų | 61 | 66.3 Ų | 66.3 | 32% | 0.319 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 110.1 | 175.8 | -173.8 | 57.1 | 0 | 0 | 0 | 108.8 | L128 V132 S133 T135 L159 | L128-L130 PolarHBondContact O-N 3.27Å; L130-V132 PolarHBondContact O-N 3.35Å; L130-S133 PolarHBondContact N-O 3.01Å; L130-S133 PolarHBondContact O-N 3.49Å; L130-S133 VanDerWaalsContact O-N 3.13Å; L130-S133 VanDerWaalsContact O-O 3.09Å; L130-T135 HydrophobicContact CB-CG2 3.91Å; L130-T135 HydrophobicContact CD2-CG2 4.01Å; L130-L159 HydrophobicContact CD2-CD2 3.8Å; L130-L159 HydrophobicContact CG-CD2 4.42Å |
| 131 | N | 85.3 | Confident | 94.9 | Very high | 150 Ų | 150 | 64.8 Ų | 64.8 | 80% | 0.802 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | -119.2 | -168.9 | -54.7 | -40.6 | 0 | 0 | 0 | 111.5 | ||
| 132 | V | 84.7 | Confident | 94.7 | Very high | 146 Ų | 146 | 63.4 Ų | 63.4 | 89% | 0.885 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 5.7 | -179.6 | -62.2 | 0 | 0 | 0 | 0 | 113.1 | L130 | L130-V132 PolarHBondContact O-N 3.35Š|
| 133 | S | 89.2 | Confident | 94.4 | Very high | 46 Ų | 46 | 69.3 Ų | 69.3 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 165.3 | -172.7 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | L130 | L130-S133 PolarHBondContact N-O 3.01Å; L130-S133 PolarHBondContact O-N 3.49Å; L130-S133 VanDerWaalsContact O-N 3.13Å; L130-S133 VanDerWaalsContact O-O 3.09Å |
| 134 | L | 93.7 | Very high | 94.3 | Very high | 44 Ų | 44 | 70.7 Ų | 70.7 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.3 | 171 | -67.9 | 179 | 0 | 0 | 0 | 109.2 | A98 R124 C127 L128 | A98-L134 HydrophobicContact CB-CD1 4.24Å; R124-L134 HydrophobicContact CG-CD1 3.77Å; R124-L134 VanDerWaalsContact CZ-CD1 3.42Å; C127-L134 HydrophobicContact CB-CB 3.95Å; C127-L134 HydrophobicContact CB-CD1 4.19Å; C127-L134 HydrophobicContact CB-CD2 4.06Å; C127-L134 HydrophobicContact CB-CG 4.29Å; L128-L134 WeakPolarHBondContact O-CA 3.23Å |
| 135 | T | 96.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 152.1 | 170.4 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | L128 L130 T156 A157 | L128-T135 HydrophobicContact CB-CG2 3.92Å; L128-T135 PolarHBondContact N-O 2.7Å; L128-T135 PolarHBondContact O-N 3.19Å; L130-T135 HydrophobicContact CB-CG2 3.91Å; L130-T135 HydrophobicContact CD2-CG2 4.01Å; T135-T156 WeakPolarHBondContact CB-O 3.43Å; T135-T156 PolarHBondContact OG1-O 3.08Å; T135-A157 PolarHBondContact OG1-O 2.96Å |
| 136 | K | 97.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.017 | 34% | 0.34 | C | S | . | . | trans | -96.4 | 123 | -180 | -65.9 | 173.4 | -173.4 | 175.3 | 0 | 108.9 | D33 Y96 L138 I150 D152 A157 | D33-K136 IonicContact OD1-NZ 2.68Å; D33-K136 PolarHBondContact OD1-NZ 3.03Å; Y96-K136 HydrophobicContact CD1-CB 3.67Å; Y96-K136 HydrophobicContact CD1-CD 4.16Å; Y96-K136 HydrophobicContact CD1-CG 4Å; Y96-K136 HydrophobicContact CD2-CB 4.39Å; Y96-K136 HydrophobicContact CD2-CD 4.08Å; Y96-K136 HydrophobicContact CD2-CG 3.88Å; Y96-K136 HydrophobicContact CE1-CB 3.43Å; Y96-K136 VanDerWaalsContact CE1-CB 3.43Å; Y96-K136 HydrophobicContact CE1-CG 4Å; Y96-K136 HydrophobicContact CE2-CB 4.2Å; Y96-K136 HydrophobicContact CE2-CG 3.88Å; Y96-K136 HydrophobicContact CG-CB 4.15Å; Y96-K136 HydrophobicContact CG-CD 3.85Å; Y96-K136 HydrophobicContact CG-CG 3.95Å; Y96-K136 WeakPolarHBondContact O-CE 3.43Å; Y96-K136 PolarHBondContact O-NZ 2.58Å; K136-L138 PolarHBondContact O-N 2.77Å; K136-I150 HydrophobicContact CB-CD1 4.25Å; K136-I150 HydrophobicContact CD-CD1 3.69Å; K136-D152 WeakPolarHBondContact CE-OD2 3.39Å; K136-D152 IonicContact NZ-OD2 2.98Å; K136-D152 PolarHBondContact NZ-OD2 3.27Å; K136-A157 VanDerWaalsContact CB-O 3.27Å; K136-A157 WeakPolarHBondContact CB-O 3.31Å; K136-A157 HydrophobicContact CD-CB 4.09Å; K136-A157 HydrophobicContact CG-CB 4.46Å; K136-A157 PolarHBondContact N-O 3.31Å | ||
| 137 | D | 96.9 | Very high | 94 | Very high | 32 Ų | 32 | 64 Ų | 64 | 17% | 0.171 | 33% | 0.333 | C | S | . | . | trans | -89.4 | 104.9 | 178.5 | -171 | 0.1 | 0 | 0 | 0 | 111.1 | Y96 L128 R139 I140 Y161 | Y96-D137 PolarHBondContact OH-N 2.94Å; Y96-D137 VanDerWaalsContact OH-N 3.08Å; L128-D137 HydrophobicContact CD1-CB 3.65Å; L128-D137 HydrophobicContact CG-CB 4.04Å; D137-R139 PolarHBondContact O-N 3.2Å; D137-R139 PolarHBondContact OD1-N 2.88Å; D137-I140 HydrophobicContact CB-CD1 3.84Å; D137-I140 HydrophobicContact CB-CG1 4Å; D137-I140 PolarHBondContact O-N 3.5Å; D137-Y161 WeakPolarHBondContact OD1-CE2 3.1Å; D137-Y161 VanDerWaalsContact OD1-CZ 3.28Å; D137-Y161 PolarHBondContact OD1-OH 2.94Å | ||
| 138 | L | 97.8 | Very high | 94 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -65.9 | -22.5 | -178.6 | -61.3 | -171.2 | 0 | 0 | 0 | 113.1 | V31 K136 I140 I141 C142 L145 I148 I150 Y161 N164 | V31-L138 HydrophobicContact CG2-CD2 4.1Å; K136-L138 PolarHBondContact O-N 2.77Å; L138-I140 PolarHBondContact O-N 3.14Å; L138-I141 WeakPolarHBondContact O-CB 3.3Å; L138-I141 PolarHBondContact O-N 3.04Å; L138-I141 VanDerWaalsContact O-N 3.08Å; L138-C142 PolarHBondContact O-N 2.8Å; L138-L145 HydrophobicContact CB-CD2 4.12Å; L138-I148 HydrophobicContact CB-CD1 4.21Å; L138-I148 HydrophobicContact CD1-CG2 4.44Å; L138-I148 HydrophobicContact CD2-CD1 4.32Å; L138-I150 HydrophobicContact CD1-CG2 4.28Å; L138-I150 HydrophobicContact CD2-CB 4.25Å; L138-I150 HydrophobicContact CD2-CD1 4.27Å; L138-I150 HydrophobicContact CD2-CG2 4.49Å; L138-Y161 HydrophobicContact CB-CD1 4.39Å; L138-Y161 HydrophobicContact CB-CD2 4.1Å; L138-Y161 HydrophobicContact CB-CE1 4.48Å; L138-Y161 HydrophobicContact CB-CE2 4.21Å; L138-Y161 HydrophobicContact CB-CG 4.2Å; L138-Y161 HydrophobicContact CD1-CD1 4.34Å; L138-Y161 HydrophobicContact CD1-CD2 4.22Å; L138-Y161 HydrophobicContact CD1-CG 3.81Å; L138-Y161 HydrophobicContact CG-CD1 4.49Å; L138-Y161 HydrophobicContact CG-CD2 3.76Å; L138-Y161 HydrophobicContact CG-CE2 4.33Å; L138-Y161 HydrophobicContact CG-CG 3.86Å; L138-N164 HydrophobicContact CD1-CB 3.67Å |
| 139 | R | 96.8 | Very high | 94.1 | Very high | 148 Ų | 148 | 59.9 Ų | 59.9 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -70.8 | -20.6 | 179.9 | -69.1 | 179.9 | -174.5 | -171.6 | 3.9 | 113.3 | D137 I141 L145 Y161 | D137-R139 PolarHBondContact O-N 3.2Å; D137-R139 PolarHBondContact OD1-N 2.88Å; R139-I141 PolarHBondContact O-N 3.29Å; R139-L145 HydrophobicContact CG-CD2 4.42Å; R139-Y161 HydrophobicContact CG-CE1 4.4Å; R139-Y161 WeakPolarHBondContact CG-OH 3.25Å |
| 140 | I | 95.7 | Very high | 94.3 | Very high | 91 Ų | 91 | 54.8 Ų | 54.8 | 47% | 0.467 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -61.7 | -27.9 | 171.2 | -60.2 | 174.8 | 0 | 0 | 0 | 110.7 | L122 D137 L138 | L122-I140 HydrophobicContact CD1-CG2 4.33Å; D137-I140 HydrophobicContact CB-CD1 3.84Å; D137-I140 HydrophobicContact CB-CG1 4Å; D137-I140 PolarHBondContact O-N 3.5Å; L138-I140 PolarHBondContact O-N 3.14Å |
| 141 | I | 96.3 | Very high | 94.8 | Very high | 41 Ų | 41 | 51.9 Ų | 51.9 | 21% | 0.21 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -45.1 | -177.7 | -56.8 | 163.6 | 0 | 0 | 0 | 110.8 | I29 V31 V94 Y96 L122 L138 R139 I148 | I29-I141 HydrophobicContact CD1-CG2 4.04Å; I29-I141 HydrophobicContact CG2-CG2 4.01Å; V31-I141 HydrophobicContact CG1-CD1 4.37Å; V31-I141 HydrophobicContact CG2-CD1 3.63Å; V94-I141 HydrophobicContact CB-CD1 4.45Å; V94-I141 HydrophobicContact CG1-CD1 3.8Å; V94-I141 HydrophobicContact CG1-CG1 4.29Å; V94-I141 HydrophobicContact CG2-CG2 3.97Å; Y96-I141 HydrophobicContact CD1-CD1 3.92Å; Y96-I141 HydrophobicContact CE1-CD1 4.42Å; L122-I141 HydrophobicContact CD1-CD1 3.85Å; L122-I141 HydrophobicContact CD1-CG1 3.58Å; L138-I141 WeakPolarHBondContact O-CB 3.3Å; L138-I141 PolarHBondContact O-N 3.04Å; L138-I141 VanDerWaalsContact O-N 3.08Å; R139-I141 PolarHBondContact O-N 3.29Å; I141-I148 HydrophobicContact CB-CD1 3.81Å; I141-I148 HydrophobicContact CD1-CD1 4.08Å; I141-I148 HydrophobicContact CG2-CD1 3.78Å |
| 142 | C | 93 | Very high | 95.4 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 14% | 0.135 | 23% | 0.225 | C | C | . | . | trans | -155.7 | 125.4 | -173.7 | -172 | 0 | 0 | 0 | 0 | 112.3 | I29 L138 I148 | I29-C142 HydrophobicContact CD1-CB 3.66Å; L138-C142 PolarHBondContact O-N 2.8Å; C142-I148 HydrophobicContact CB-CD1 4.2Å | ||
| 143 | D | 93.8 | Very high | 96 | Very high | 144 Ų | 144 | 39.5 Ų | 39.5 | 77% | 0.77 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -66.4 | -36.2 | 175.6 | -68.4 | -37.4 | 0 | 0 | 0 | 112.7 | L145 | D143-L145 PolarHBondContact O-N 3.25Å; D143-L145 VanDerWaalsContact O-N 3.12Å |
| 144 | D | 95.4 | Very high | 96.4 | Very high | 44 Ų | 44 | 39.2 Ų | 39.2 | 24% | 0.235 | 19% | 0.19 | C | C | . | . | trans | -85.3 | 89.2 | -179.2 | -176.7 | 6.8 | 0 | 0 | 0 | 111.6 | R146 R147 | D144-R146 PolarHBondContact O-N 3.18Å; D144-R146 WeakPolarHBondContact OD1-CB 3.45Å; D144-R146 WeakPolarHBondContact OD1-CG 3.29Å; D144-R146 IonicContact OD1-CZ 3.43Å; D144-R146 PolarHBondContact OD1-N 2.85Å; D144-R146 VanDerWaalsContact OD1-N 3.09Å; D144-R146 IonicContact OD1-NE 2.72Å; D144-R146 PolarHBondContact OD1-NE 2.92Å; D144-R146 IonicContact OD1-NH2 2.76Å; D144-R146 IonicContact OD2-CZ 3.95Å; D144-R146 IonicContact OD2-NE 3.22Å; D144-R146 PolarHBondContact OD2-NE 3.04Å; D144-R146 IonicContact OD2-NH2 3.65Å; D144-R146 PolarHBondContact OD2-NH2 2.83Å; D144-R147 HydrophobicContact CB-CG 4.3Å; D144-R147 PolarHBondContact O-N 2.96Å; D144-R147 VanDerWaalsContact O-N 3.11Å; D144-R147 VanDerWaalsContact OD2-CD 3.29Å; D144-R147 WeakPolarHBondContact OD2-CD 3.34Å | ||
| 145 | L | 96.3 | Very high | 96.4 | Very high | 21 Ų | 21 | 41 Ų | 41 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -11.4 | 178.9 | -63.6 | 179.6 | 0 | 0 | 0 | 114.5 | L138 R139 D143 R147 I148 Y161 N164 | L138-L145 HydrophobicContact CB-CD2 4.12Å; R139-L145 HydrophobicContact CG-CD2 4.42Å; D143-L145 PolarHBondContact O-N 3.25Å; D143-L145 VanDerWaalsContact O-N 3.12Å; L145-R147 PolarHBondContact O-N 3.28Å; L145-I148 HydrophobicContact CD2-CG2 3.95Å; L145-Y161 HydrophobicContact CD1-CD1 4.01Å; L145-Y161 HydrophobicContact CD1-CE1 3.85Å; L145-Y161 HydrophobicContact CD2-CD1 4.1Å; L145-Y161 HydrophobicContact CD2-CE1 4Å; L145-N164 PolarHBondContact O-ND2 2.94Å |
| 146 | R | 95.1 | Very high | 96.4 | Very high | 122 Ų | 122 | 43.4 Ų | 43.4 | 46% | 0.46 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -16.5 | 175 | -58.9 | 179.9 | -68.6 | -178.7 | 2.5 | 112.8 | D144 D195 V196 | D144-R146 PolarHBondContact O-N 3.18Å; D144-R146 WeakPolarHBondContact OD1-CB 3.45Å; D144-R146 WeakPolarHBondContact OD1-CG 3.29Å; D144-R146 IonicContact OD1-CZ 3.43Å; D144-R146 PolarHBondContact OD1-N 2.85Å; D144-R146 VanDerWaalsContact OD1-N 3.09Å; D144-R146 IonicContact OD1-NE 2.72Å; D144-R146 PolarHBondContact OD1-NE 2.92Å; D144-R146 IonicContact OD1-NH2 2.76Å; D144-R146 IonicContact OD2-CZ 3.95Å; D144-R146 IonicContact OD2-NE 3.22Å; D144-R146 PolarHBondContact OD2-NE 3.04Å; D144-R146 IonicContact OD2-NH2 3.65Å; D144-R146 PolarHBondContact OD2-NH2 2.83Å; R146-D195 WeakPolarHBondContact CA-OD1 3.3Å; R146-D195 HydrophobicContact CB-CB 3.99Å; R146-D195 HydrophobicContact CG-CB 4Å; R146-D195 WeakPolarHBondContact CG-OD2 3.29Å; R146-D195 WeakPolarHBondContact O-CA 3.33Å; R146-V196 PolarHBondContact O-N 3Å |
| 147 | R | 94.6 | Very high | 96.3 | Very high | 32 Ų | 32 | 43.5 Ų | 43.5 | 12% | 0.121 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -113 | -10.7 | -166.7 | -51.3 | 159.4 | 60 | 82.7 | 19.6 | 114.3 | Q26 T27 K28 I29 D144 L145 | Q26-R147 PolarHBondContact O-NH2 2.73Å; T27-R147 PolarHBondContact O-NH2 3.26Å; K28-R147 CarbonylContact C-O 3.55Å; K28-R147 VanDerWaalsContact CA-O 3.32Å; K28-R147 WeakPolarHBondContact CA-O 3.39Å; K28-R147 VanDerWaalsContact CB-O 3.23Å; K28-R147 WeakPolarHBondContact CB-O 3.48Å; K28-R147 HydrophobicContact CG-CB 4.47Å; I29-R147 PolarHBondContact N-O 3Å; D144-R147 HydrophobicContact CB-CG 4.3Å; D144-R147 PolarHBondContact O-N 2.96Å; D144-R147 VanDerWaalsContact O-N 3.11Å; D144-R147 VanDerWaalsContact OD2-CD 3.29Å; D144-R147 WeakPolarHBondContact OD2-CD 3.34Å; L145-R147 PolarHBondContact O-N 3.28Å |
| 148 | I | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.5 | -171.8 | -175.5 | 163.5 | 0 | 0 | 0 | 109.7 | I29 V31 L138 I141 C142 L145 N164 V196 | I29-I148 HydrophobicContact CB-CB 4.14Å; I29-I148 HydrophobicContact CB-CD1 4.27Å; I29-I148 HydrophobicContact CB-CG1 4Å; I29-I148 HydrophobicContact CG2-CD1 3.98Å; I29-I148 HydrophobicContact CG2-CG1 4.05Å; I29-I148 WeakPolarHBondContact O-CA 3.31Å; V31-I148 HydrophobicContact CG2-CD1 3.65Å; V31-I148 HydrophobicContact CG2-CG1 3.76Å; L138-I148 HydrophobicContact CB-CD1 4.21Å; L138-I148 HydrophobicContact CD1-CG2 4.44Å; L138-I148 HydrophobicContact CD2-CD1 4.32Å; I141-I148 HydrophobicContact CB-CD1 3.81Å; I141-I148 HydrophobicContact CD1-CD1 4.08Å; I141-I148 HydrophobicContact CG2-CD1 3.78Å; C142-I148 HydrophobicContact CB-CD1 4.2Å; L145-I148 HydrophobicContact CD2-CG2 3.95Å; I148-N164 PolarHBondContact O-ND2 2.78Å; I148-V196 WeakPolarHBondContact O-CG2 3.32Å |
| 149 | C | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 156.8 | 170.9 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | I29 L30 V31 N164 V166 L190 V196 L200 | I29-C149 PolarHBondContact O-N 3.38Å; L30-C149 VanDerWaalsContact CD1-SG 3.51Å; V31-C149 PolarHBondContact N-O 3.47Å; C149-N164 CarbonylContact C-O 3.58Å; C149-N164 WeakPolarHBondContact CA-O 3.38Å; C149-N164 VanDerWaalsContact CB-O 3.3Å; C149-N164 WeakPolarHBondContact CB-O 3.45Å; C149-V166 HydrophobicContact CB-CG2 4.46Å; C149-L190 HydrophobicContact CB-CD2 4.4Å; C149-V196 HydrophobicContact CB-CG2 4.35Å; C149-L200 HydrophobicContact CB-CD1 3.9Å |
| 150 | I | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 130.2 | -176.8 | -177.8 | 168.4 | 0 | 0 | 0 | 110.7 | V31 K136 L138 D152 Y158 N164 A165 V166 | V31-I150 HydrophobicContact CB-CB 3.96Å; V31-I150 HydrophobicContact CB-CD1 4.41Å; V31-I150 HydrophobicContact CB-CG1 3.95Å; V31-I150 HydrophobicContact CG1-CB 4.43Å; V31-I150 HydrophobicContact CG1-CD1 3.94Å; V31-I150 HydrophobicContact CG1-CG1 3.94Å; V31-I150 CarbonylContact O-C 3.54Å; V31-I150 WeakPolarHBondContact O-CA 3.42Å; K136-I150 HydrophobicContact CB-CD1 4.25Å; K136-I150 HydrophobicContact CD-CD1 3.69Å; L138-I150 HydrophobicContact CD1-CG2 4.28Å; L138-I150 HydrophobicContact CD2-CB 4.25Å; L138-I150 HydrophobicContact CD2-CD1 4.27Å; L138-I150 HydrophobicContact CD2-CG2 4.49Å; I150-D152 HydrophobicContact CG1-CB 4.31Å; I150-Y158 HydrophobicContact CG2-CD1 4.4Å; I150-Y158 HydrophobicContact CG2-CG 4.41Å; I150-N164 PolarHBondContact N-O 3.26Å; I150-A165 HydrophobicContact CG2-CB 4.3Å; I150-A165 CarbonylContact O-C 3.5Å; I150-A165 WeakPolarHBondContact O-CA 3.22Å; I150-V166 PolarHBondContact O-N 2.82Å |
| 151 | I | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122 | 169 | -64.2 | 167.1 | 0 | 0 | 0 | 108.3 | L30 V31 L32 D33 T37 F83 V166 I168 L183 L187 | L30-I151 HydrophobicContact CD1-CD1 3.77Å; L30-I151 HydrophobicContact CD1-CG1 4.02Å; L30-I151 HydrophobicContact CD2-CD1 4.16Å; L30-I151 HydrophobicContact CG-CD1 4.34Å; V31-I151 PolarHBondContact O-N 2.54Å; L32-I151 HydrophobicContact CD2-CB 4.13Å; L32-I151 HydrophobicContact CD2-CD1 3.85Å; L32-I151 HydrophobicContact CD2-CG1 4.43Å; D33-I151 PolarHBondContact N-O 3.05Å; D33-I151 VanDerWaalsContact N-O 3.12Å; T37-I151 HydrophobicContact CG2-CG2 4.08Å; F83-I151 HydrophobicContact CZ-CD1 3.8Å; I151-V166 WeakPolarHBondContact CA-O 3.39Å; I151-V166 HydrophobicContact CG1-CB 3.76Å; I151-V166 HydrophobicContact CG1-CG1 3.98Å; I151-V166 HydrophobicContact CG1-CG2 4.46Å; I151-I168 HydrophobicContact CG2-CB 3.93Å; I151-I168 HydrophobicContact CG2-CD1 4.2Å; I151-I168 HydrophobicContact CG2-CG2 3.68Å; I151-L183 HydrophobicContact CD1-CD1 3.93Å; I151-L183 HydrophobicContact CG1-CD1 4.37Å; I151-L183 HydrophobicContact CG2-CD1 4.19Å; I151-L187 HydrophobicContact CD1-CD1 3.93Å; I151-L187 HydrophobicContact CD1-CD2 4.34Å |
| 152 | D | 98.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.011 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 143.6 | -177.7 | -160.1 | -59.1 | 0 | 0 | 0 | 110.1 | D33 K136 I150 S154 A157 Y158 I168 | D33-D152 HydrophobicContact CB-CB 4.15Å; D33-D152 WeakPolarHBondContact CB-OD2 3.47Å; K136-D152 WeakPolarHBondContact CE-OD2 3.39Å; K136-D152 IonicContact NZ-OD2 2.98Å; K136-D152 PolarHBondContact NZ-OD2 3.27Å; I150-D152 HydrophobicContact CG1-CB 4.31Å; D152-S154 WeakPolarHBondContact OD1-CA 3.5Å; D152-S154 WeakPolarHBondContact OD1-CB 3Å; D152-S154 PolarHBondContact OD1-N 3.13Å; D152-A157 HydrophobicContact CB-CB 4.27Å; D152-A157 WeakPolarHBondContact OD2-CB 3.46Å; D152-Y158 HydrophobicContact CB-CD1 3.88Å; D152-Y158 HydrophobicContact CB-CE1 3.93Å; D152-I168 PolarHBondContact O-N 3.45Å |
| 153 | N | 97.6 | Very high | 96.1 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -79.6 | -23 | 176.5 | 65.6 | -56.2 | 0 | 0 | 0 | 113 | D33 E36 T37 P155 I168 E170 | D33-N153 PolarHBondContact OD2-OD1 2.83Å; E36-N153 WeakPolarHBondContact CB-ND2 3.36Å; T37-N153 PolarHBondContact OG1-N 2.93Å; T37-N153 PolarHBondContact OG1-OD1 2.81Å; T37-N153 VanDerWaalsContact OG1-OD1 3.07Å; N153-P155 WeakPolarHBondContact O-CD 3.45Å; N153-I168 VanDerWaalsContact CA-O 3.29Å; N153-I168 WeakPolarHBondContact CA-O 3.39Å; N153-I168 HydrophobicContact CB-CG2 4.29Å; N153-E170 HydrophobicContact CB-CB 4.33Å |
| 154 | S | 96 | Very high | 96.2 | Very high | 40 Ų | 40 | 37.6 Ų | 37.6 | 28% | 0.28 | 20% | 0.202 | S | C | . | . | trans | -99.1 | 117.1 | -177 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | D152 T156 A157 Y158 | D152-S154 WeakPolarHBondContact OD1-CA 3.5Å; D152-S154 WeakPolarHBondContact OD1-CB 3Å; D152-S154 PolarHBondContact OD1-N 3.13Å; S154-T156 PolarHBondContact O-N 2.83Å; S154-T156 VanDerWaalsContact O-N 3.13Å; S154-T156 PolarHBondContact OG-N 3.25Å; S154-T156 PolarHBondContact OG-OG1 2.94Å; S154-A157 VanDerWaalsContact O-CB 3.31Å; S154-A157 WeakPolarHBondContact O-CB 3.27Å; S154-A157 PolarHBondContact O-N 3.12Å; S154-Y158 WeakPolarHBondContact O-CE1 3.39Å | ||
| 155 | P | 95 | Very high | 96.3 | Very high | 82 Ų | 82 | 35.8 Ų | 35.8 | 53% | 0.532 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -59.3 | -24.4 | 174.5 | -25.6 | 35.6 | 0 | 0 | 0 | 115.2 | N153 A157 Y158 L159 | N153-P155 WeakPolarHBondContact O-CD 3.45Å; P155-A157 PolarHBondContact O-N 3.36Å; P155-Y158 VanDerWaalsContact CA-CZ 3.46Å; P155-Y158 HydrophobicContact CB-CE2 4.18Å; P155-Y158 PolarHBondContact O-N 3.45Å; P155-L159 PolarHBondContact O-N 3.35Å |
| 156 | T | 95.3 | Very high | 96.4 | Very high | 54 Ų | 54 | 35.1 Ų | 35.1 | 33% | 0.331 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -69.8 | -25.3 | 177.6 | 59.3 | 0 | 0 | 0 | 0 | 112.3 | T135 S154 Y158 L159 | T135-T156 WeakPolarHBondContact CB-O 3.43Å; T135-T156 PolarHBondContact OG1-O 3.08Å; S154-T156 PolarHBondContact O-N 2.83Å; S154-T156 VanDerWaalsContact O-N 3.13Å; S154-T156 PolarHBondContact OG-N 3.25Å; S154-T156 PolarHBondContact OG-OG1 2.94Å; T156-Y158 VanDerWaalsContact C-N 3.29Å; T156-Y158 PolarHBondContact O-N 2.97Å; T156-L159 PolarHBondContact O-N 2.76Å |
| 157 | A | 96.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -67.7 | -29.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T135 K136 D152 S154 P155 | T135-A157 PolarHBondContact OG1-O 2.96Å; K136-A157 VanDerWaalsContact CB-O 3.27Å; K136-A157 WeakPolarHBondContact CB-O 3.31Å; K136-A157 HydrophobicContact CD-CB 4.09Å; K136-A157 HydrophobicContact CG-CB 4.46Å; K136-A157 PolarHBondContact N-O 3.31Å; D152-A157 HydrophobicContact CB-CB 4.27Å; D152-A157 WeakPolarHBondContact OD2-CB 3.46Å; S154-A157 VanDerWaalsContact O-CB 3.31Å; S154-A157 WeakPolarHBondContact O-CB 3.27Å; S154-A157 PolarHBondContact O-N 3.12Å; P155-A157 PolarHBondContact O-N 3.36Å |
| 158 | Y | 95.5 | Very high | 96.5 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 9% | 0.086 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -117.6 | 28.4 | 179 | 50.3 | -102.6 | 0 | 0 | 0 | 112.5 | I150 D152 S154 P155 T156 C160 Y161 A165 | I150-Y158 HydrophobicContact CG2-CD1 4.4Å; I150-Y158 HydrophobicContact CG2-CG 4.41Å; D152-Y158 HydrophobicContact CB-CD1 3.88Å; D152-Y158 HydrophobicContact CB-CE1 3.93Å; S154-Y158 WeakPolarHBondContact O-CE1 3.39Å; P155-Y158 VanDerWaalsContact CA-CZ 3.46Å; P155-Y158 HydrophobicContact CB-CE2 4.18Å; P155-Y158 PolarHBondContact O-N 3.45Å; T156-Y158 VanDerWaalsContact C-N 3.29Å; T156-Y158 PolarHBondContact O-N 2.97Å; Y158-C160 PolarHBondContact O-N 2.93Å; Y158-Y161 CarbonylContact O-C 3.52Å; Y158-Y161 WeakPolarHBondContact O-CA 3.38Å; Y158-Y161 PolarHBondContact O-N 2.85Å; Y158-A165 HydrophobicContact CD1-CB 3.82Å; Y158-A165 HydrophobicContact CD2-CB 3.29Å; Y158-A165 HydrophobicContact CE1-CB 4.02Å; Y158-A165 HydrophobicContact CE2-CB 3.51Å; Y158-A165 HydrophobicContact CG-CB 3.44Å; Y158-A165 VanDerWaalsContact CG-CB 3.44Å |
| 159 | L | 94.4 | Very high | 96.5 | Very high | 93 Ų | 93 | 39.7 Ų | 39.7 | 49% | 0.487 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -37.4 | -174.9 | -169.8 | 64.5 | 0 | 0 | 0 | 112.8 | L130 P155 T156 Y161 | L130-L159 HydrophobicContact CD2-CD2 3.8Å; L130-L159 HydrophobicContact CG-CD2 4.42Å; P155-L159 PolarHBondContact O-N 3.35Å; T156-L159 PolarHBondContact O-N 2.76Å; L159-Y161 VanDerWaalsContact C-N 3.34Å |
| 160 | C | 94.4 | Very high | 96.5 | Very high | 66 Ų | 66 | 44.8 Ų | 44.8 | 45% | 0.446 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -12.8 | 176.7 | -62.2 | 0 | 0 | 0 | 0 | 113.8 | Y158 P162 | Y158-C160 PolarHBondContact O-N 2.93Å; C160-P162 VanDerWaalsContact C-CD 3.47Å |
| 161 | Y | 95.7 | Very high | 96.4 | Very high | 24 Ų | 24 | 44.9 Ų | 44.9 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | trans | -135.1 | 47.1 | -172.1 | -56.4 | -75 | 0 | 0 | 0 | 113.3 | D137 L138 R139 L145 Y158 L159 Q163 N164 A165 | D137-Y161 WeakPolarHBondContact OD1-CE2 3.1Å; D137-Y161 VanDerWaalsContact OD1-CZ 3.28Å; D137-Y161 PolarHBondContact OD1-OH 2.94Å; L138-Y161 HydrophobicContact CB-CD1 4.39Å; L138-Y161 HydrophobicContact CB-CD2 4.1Å; L138-Y161 HydrophobicContact CB-CE1 4.48Å; L138-Y161 HydrophobicContact CB-CE2 4.21Å; L138-Y161 HydrophobicContact CB-CG 4.2Å; L138-Y161 HydrophobicContact CD1-CD1 4.34Å; L138-Y161 HydrophobicContact CD1-CD2 4.22Å; L138-Y161 HydrophobicContact CD1-CG 3.81Å; L138-Y161 HydrophobicContact CG-CD1 4.49Å; L138-Y161 HydrophobicContact CG-CD2 3.76Å; L138-Y161 HydrophobicContact CG-CE2 4.33Å; L138-Y161 HydrophobicContact CG-CG 3.86Å; R139-Y161 HydrophobicContact CG-CE1 4.4Å; R139-Y161 WeakPolarHBondContact CG-OH 3.25Å; L145-Y161 HydrophobicContact CD1-CD1 4.01Å; L145-Y161 HydrophobicContact CD1-CE1 3.85Å; L145-Y161 HydrophobicContact CD2-CD1 4.1Å; L145-Y161 HydrophobicContact CD2-CE1 4Å; Y158-Y161 CarbonylContact O-C 3.52Å; Y158-Y161 WeakPolarHBondContact O-CA 3.38Å; Y158-Y161 PolarHBondContact O-N 2.85Å; L159-Y161 VanDerWaalsContact C-N 3.34Å; Y161-Q163 PolarHBondContact O-N 3.02Å; Y161-Q163 VanDerWaalsContact O-N 3.1Å; Y161-N164 PolarHBondContact O-N 3.34Å; Y161-A165 PolarHBondContact O-N 3.49Å | ||
| 162 | P | 95.5 | Very high | 96.3 | Very high | 69 Ų | 69 | 47.5 Ų | 47.5 | 45% | 0.448 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -62.8 | -25.1 | -175.3 | 27.1 | -35.9 | 0 | 0 | 0 | 112.8 | C160 N164 A165 | C160-P162 VanDerWaalsContact C-CD 3.47Å; P162-N164 VanDerWaalsContact C-N 3.26Å; P162-N164 PolarHBondContact O-N 3.46Å; P162-A165 PolarHBondContact O-N 3.13Å |
| 163 | Q | 96 | Very high | 96 | Very high | 76 Ų | 76 | 47.4 Ų | 47.4 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -77.1 | -10.4 | 177.4 | -60.4 | 176.8 | 6.3 | 0 | 0 | 113.3 | Y161 R197 L200 Q201 | Y161-Q163 PolarHBondContact O-N 3.02Å; Y161-Q163 VanDerWaalsContact O-N 3.1Å; Q163-R197 HydrophobicContact CB-CB 4.13Å; Q163-R197 HydrophobicContact CB-CG 4.16Å; Q163-R197 WeakPolarHBondContact O-CA 3.12Å; Q163-R197 WeakPolarHBondContact O-CG 3.35Å; Q163-L200 VanDerWaalsContact O-CB 3.26Å; Q163-L200 WeakPolarHBondContact O-CB 3.47Å; Q163-Q201 HydrophobicContact CG-CB 4.41Å; Q163-Q201 HydrophobicContact CG-CG 4.29Å |
| 164 | N | 97.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -105.1 | -1.8 | 176.8 | -67.6 | 86.2 | 0 | 0 | 0 | 111.9 | L138 L145 I148 C149 I150 Y161 P162 R197 | L138-N164 HydrophobicContact CD1-CB 3.67Å; L145-N164 PolarHBondContact O-ND2 2.94Å; I148-N164 PolarHBondContact O-ND2 2.78Å; C149-N164 CarbonylContact C-O 3.58Å; C149-N164 WeakPolarHBondContact CA-O 3.38Å; C149-N164 VanDerWaalsContact CB-O 3.3Å; C149-N164 WeakPolarHBondContact CB-O 3.45Å; I150-N164 PolarHBondContact N-O 3.26Å; Y161-N164 PolarHBondContact O-N 3.34Å; P162-N164 VanDerWaalsContact C-N 3.26Å; P162-N164 PolarHBondContact O-N 3.46Å; N164-R197 WeakPolarHBondContact ND2-CG 3.31Å; N164-R197 WeakPolarHBondContact OD1-CD 3.43Å |
| 165 | A | 97 | Very high | 95.7 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 5% | 0.05 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 139.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I150 Y158 Y161 P162 P167 | I150-A165 HydrophobicContact CG2-CB 4.3Å; I150-A165 CarbonylContact O-C 3.5Å; I150-A165 WeakPolarHBondContact O-CA 3.22Å; Y158-A165 HydrophobicContact CD1-CB 3.82Å; Y158-A165 HydrophobicContact CD2-CB 3.29Å; Y158-A165 HydrophobicContact CE1-CB 4.02Å; Y158-A165 HydrophobicContact CE2-CB 3.51Å; Y158-A165 HydrophobicContact CG-CB 3.44Å; Y158-A165 VanDerWaalsContact CG-CB 3.44Å; Y161-A165 PolarHBondContact O-N 3.49Å; P162-A165 PolarHBondContact O-N 3.13Å; A165-P167 WeakPolarHBondContact O-CD 3.45Å |
| 166 | V | 97.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 89.3 | 165.6 | 180 | 0 | 0 | 0 | 0 | 106 | C149 I150 I151 I168 L183 F186 L200 | C149-V166 HydrophobicContact CB-CG2 4.46Å; I150-V166 PolarHBondContact O-N 2.82Å; I151-V166 WeakPolarHBondContact CA-O 3.39Å; I151-V166 HydrophobicContact CG1-CB 3.76Å; I151-V166 HydrophobicContact CG1-CG1 3.98Å; I151-V166 HydrophobicContact CG1-CG2 4.46Å; V166-I168 PolarHBondContact O-N 3.05Å; V166-L183 HydrophobicContact CG1-CD1 4.25Å; V166-L183 HydrophobicContact CG1-CD2 3.75Å; V166-F186 HydrophobicContact CG1-CE1 4.48Å; V166-F186 HydrophobicContact CG2-CE1 4.22Å; V166-L200 HydrophobicContact CG2-CD1 4.29Å; V166-L200 HydrophobicContact CG2-CD2 3.55Å |
| 167 | P | 96.6 | Very high | 95.7 | Very high | 84 Ų | 84 | 50.7 Ų | 50.7 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 135.3 | -178.5 | -21.4 | 33 | 0 | 0 | 0 | 110.5 | A165 | A165-P167 WeakPolarHBondContact O-CD 3.45Å |
| 168 | I | 97 | Very high | 95.7 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 8% | 0.077 | 28% | 0.281 | C | S | . | . | trans | -121.4 | 151.1 | 173.5 | -166.8 | 170.4 | 0 | 0 | 0 | 109.8 | T37 I151 D152 N153 V166 A179 L180 L183 | T37-I168 HydrophobicContact CG2-CG2 4.08Å; I151-I168 HydrophobicContact CG2-CB 3.93Å; I151-I168 HydrophobicContact CG2-CD1 4.2Å; I151-I168 HydrophobicContact CG2-CG2 3.68Å; D152-I168 PolarHBondContact O-N 3.45Å; N153-I168 VanDerWaalsContact CA-O 3.29Å; N153-I168 WeakPolarHBondContact CA-O 3.39Å; N153-I168 HydrophobicContact CB-CG2 4.29Å; V166-I168 PolarHBondContact O-N 3.05Å; I168-A179 HydrophobicContact CD1-CB 4.1Å; I168-A179 HydrophobicContact CG1-CB 3.99Å; I168-L180 HydrophobicContact CD1-CD2 3.54Å; I168-L180 HydrophobicContact CD1-CG 4.23Å; I168-L183 HydrophobicContact CD1-CD1 3.82Å; I168-L183 HydrophobicContact CG1-CD1 4.33Å | ||
| 169 | K | 96.1 | Very high | 95.7 | Very high | 151 Ų | 151 | 52.1 Ų | 52.1 | 66% | 0.657 | 28% | 0.283 | S | S | * | . | trans | -67.6 | 137.9 | 174.3 | -168.1 | -173.9 | 175.4 | 179.9 | 0 | 109.7 | R77 | R77-K169 PolarHBondContact NH1-O 3.38Å; R77-K169 PolarHBondContact NH2-O 3.39Å | ||
| 170 | E | 97.3 | Very high | 95.9 | Very high | 107 Ų | 107 | 47.7 Ų | 47.7 | 50% | 0.5 | 26% | 0.26 | S | S | . | . | trans | -50.8 | 137.7 | 165.9 | -166.3 | -172.7 | 83 | 0 | 0 | 111.1 | E36 N153 T172 | E36-E170 HydrophobicContact CB-CG 3.61Å; E36-E170 HydrophobicContact CG-CG 3.72Å; N153-E170 HydrophobicContact CB-CB 4.33Å; E170-T172 HydrophobicContact CG-CG2 4.17Å; E170-T172 WeakPolarHBondContact OE1-CG2 3.41Å | ||
| 171 | W | 97.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 1% | 0.011 | 24% | 0.239 | C | C | . | . | trans | -123.6 | 118.7 | 176 | -177.3 | 80.2 | 0 | 0 | 0 | 111.9 | E36 H40 L52 Y75 K76 R77 P78 G173 N174 D177 | E36-W171 PolarHBondContact O-N 3.49Å; H40-W171 HydrophobicContact CB-CE3 3.66Å; H40-W171 HydrophobicContact CB-CZ3 3.53Å; L52-W171 HydrophobicContact CD2-CH2 4.49Å; Y75-W171 WeakPolarHBondContact O-CZ3 3.48Å; K76-W171 VanDerWaalsContact O-CH2 3.23Å; K76-W171 WeakPolarHBondContact O-CH2 3.48Å; R77-W171 HydrophobicContact CB-CD2 3.85Å; R77-W171 HydrophobicContact CB-CE3 3.75Å; R77-W171 HydrophobicContact CB-CG 4.33Å; R77-W171 HydrophobicContact CB-CZ3 4.13Å; R77-W171 HydrophobicContact CG-CB 4.16Å; R77-W171 HydrophobicContact CG-CD2 3.7Å; R77-W171 HydrophobicContact CG-CE3 4.12Å; R77-W171 HydrophobicContact CG-CG 3.69Å; P78-W171 VanDerWaalsContact CD-CE2 3.4Å; P78-W171 VanDerWaalsContact CD-CZ2 3.41Å; P78-W171 HydrophobicContact CG-CZ2 4.35Å; W171-G173 VanDerWaalsContact CZ2-CA 3.45Å; W171-N174 PolarHBondContact NE1-O 3.43Å; W171-D177 VanDerWaalsContact CD1-CB 3.48Å | ||
| 172 | T | 94.7 | Very high | 95.8 | Very high | 55 Ų | 55 | 44.9 Ų | 44.9 | 34% | 0.337 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -123.3 | 26.5 | -177.1 | 50.2 | 0 | 0 | 0 | 0 | 112 | E36 E170 | E36-T172 HydrophobicContact CG-CG2 4.38Å; E170-T172 HydrophobicContact CG-CG2 4.17Å; E170-T172 WeakPolarHBondContact OE1-CG2 3.41Å |
| 173 | G | 93.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 119.5 | -4.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | W171 R175 | W171-G173 VanDerWaalsContact CZ2-CA 3.45Å; G173-R175 VanDerWaalsContact O-CD 3.31Å; G173-R175 WeakPolarHBondContact O-CD 3.24Å; G173-R175 PolarHBondContact O-N 3.31Å |
| 174 | N | 94.2 | Very high | 95.8 | Very high | 64 Ų | 64 | 38.5 Ų | 38.5 | 34% | 0.342 | 21% | 0.206 | S | C | . | . | trans | -57.8 | 109.6 | 176.5 | 178.9 | -1.7 | 0 | 0 | 0 | 110.5 | W171 S176 D177 | W171-N174 PolarHBondContact NE1-O 3.43Å; N174-S176 PolarHBondContact O-N 3.07Å; N174-S176 PolarHBondContact OD1-N 3.34Å; N174-D177 VanDerWaalsContact O-CB 3.25Å; N174-D177 WeakPolarHBondContact O-CB 3.15Å; N174-D177 PolarHBondContact O-N 3.47Å; N174-D177 VanDerWaalsContact O-N 3.15Å | ||
| 175 | R | 92.8 | Very high | 95.6 | Very high | 100 Ų | 100 | 38.5 Ų | 38.5 | 38% | 0.377 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -14.7 | -175.5 | -56.8 | -54.1 | -59.1 | 176.7 | -0.3 | 113.8 | Y55 K76 G173 | Y55-R175 HydrophobicContact CE1-CG 4.49Å; Y55-R175 HydrophobicContact CE2-CG 4.4Å; K76-R175 PolarHBondContact O-NH1 2.9Å; G173-R175 VanDerWaalsContact O-CD 3.31Å; G173-R175 WeakPolarHBondContact O-CD 3.24Å; G173-R175 PolarHBondContact O-N 3.31Å |
| 176 | S | 93.9 | Very high | 95.4 | Very high | 99 Ų | 99 | 40 Ų | 40 | 69% | 0.692 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 4.4 | 175.6 | -52.1 | 0 | 0 | 0 | 0 | 112.8 | N174 | N174-S176 PolarHBondContact O-N 3.07Å; N174-S176 PolarHBondContact OD1-N 3.34Å |
| 177 | D | 96.2 | Very high | 95.2 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 9% | 0.086 | 21% | 0.211 | C | C | . | . | trans | -59.4 | 136.5 | 175.2 | -176.4 | -88 | 0 | 0 | 0 | 111.1 | R77 P78 Y79 W171 N174 A179 | R77-D177 IonicContact CZ-OD1 2.71Å; R77-D177 IonicContact CZ-OD2 2.68Å; R77-D177 IonicContact NE-OD1 3.28Å; R77-D177 PolarHBondContact NE-OD1 2.75Å; R77-D177 IonicContact NE-OD2 3.55Å; R77-D177 IonicContact NH2-OD1 2.74Å; R77-D177 PolarHBondContact NH2-OD1 3.27Å; R77-D177 IonicContact NH2-OD2 2.95Å; R77-D177 PolarHBondContact NH2-OD2 2.62Å; P78-D177 WeakPolarHBondContact CB-O 3.31Å; P78-D177 HydrophobicContact CG-CB 4.3Å; Y79-D177 VanDerWaalsContact CE2-O 3.3Å; Y79-D177 WeakPolarHBondContact CE2-O 3.38Å; W171-D177 VanDerWaalsContact CD1-CB 3.48Å; N174-D177 VanDerWaalsContact O-CB 3.25Å; N174-D177 WeakPolarHBondContact O-CB 3.15Å; N174-D177 PolarHBondContact O-N 3.47Å; N174-D177 VanDerWaalsContact O-N 3.15Å; D177-A179 PolarHBondContact OD1-N 3.18Å | ||
| 178 | T | 96.2 | Very high | 95 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 25% | 0.245 | 19% | 0.192 | C | C | . | . | trans | -124.1 | 11.6 | 176.6 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | Y79 L180 L181 D182 | Y79-T178 HydrophobicContact CE2-CG2 3.97Å; T178-L180 PolarHBondContact O-N 2.79Å; T178-L181 VanDerWaalsContact O-CB 3.3Å; T178-L181 WeakPolarHBondContact O-CB 3.31Å; T178-L181 PolarHBondContact O-N 2.8Å; T178-D182 PolarHBondContact O-N 3.29Å; T178-D182 PolarHBondContact OG1-OD2 3.08Å | ||
| 179 | A | 96.7 | Very high | 94.7 | Very high | 17 Ų | 17 | 40 Ų | 40 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | -164.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I168 D177 L181 D182 L183 | I168-A179 HydrophobicContact CD1-CB 4.1Å; I168-A179 HydrophobicContact CG1-CB 3.99Å; D177-A179 PolarHBondContact OD1-N 3.18Å; A179-L181 VanDerWaalsContact C-N 3.32Å; A179-L181 PolarHBondContact O-N 3.04Å; A179-D182 PolarHBondContact O-N 3.04Å; A179-L183 WeakPolarHBondContact O-CG 3.31Å; A179-L183 PolarHBondContact O-N 2.65Å |
| 180 | L | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.8 | -68.3 | 177.7 | 0 | 0 | 0 | 111.8 | L38 R77 V80 F83 I168 T178 D182 L183 | L38-L180 HydrophobicContact CD2-CD1 4.24Å; L38-L180 HydrophobicContact CD2-CD2 4.02Å; R77-L180 HydrophobicContact CB-CD1 4.06Å; R77-L180 HydrophobicContact CG-CD1 3.94Å; R77-L180 HydrophobicContact CG-CG 4.37Å; V80-L180 HydrophobicContact CB-CD1 3.78Å; V80-L180 HydrophobicContact CG2-CD1 3.99Å; F83-L180 HydrophobicContact CB-CB 4.11Å; F83-L180 HydrophobicContact CD1-CD2 4.24Å; F83-L180 HydrophobicContact CD2-CB 4.01Å; F83-L180 HydrophobicContact CD2-CD2 4.42Å; F83-L180 VanDerWaalsContact CD2-O 3.26Å; F83-L180 WeakPolarHBondContact CD2-O 3.47Å; F83-L180 HydrophobicContact CE1-CD2 4.25Å; F83-L180 HydrophobicContact CE2-CD2 4.41Å; F83-L180 HydrophobicContact CG-CB 4.03Å; F83-L180 HydrophobicContact CG-CD2 4.33Å; F83-L180 HydrophobicContact CZ-CD2 4.34Å; I168-L180 HydrophobicContact CD1-CD2 3.54Å; I168-L180 HydrophobicContact CD1-CG 4.23Å; T178-L180 PolarHBondContact O-N 2.79Å; L180-D182 VanDerWaalsContact C-N 3.31Å; L180-D182 PolarHBondContact O-N 2.68Å; L180-L183 PolarHBondContact O-N 2.84Å |
| 181 | L | 94.4 | Very high | 94 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 177.6 | -170.6 | 64.9 | 0 | 0 | 0 | 111.5 | F7 Y79 T178 A179 L183 L184 V220 L222 | F7-L181 HydrophobicContact CD1-CD1 3.77Å; F7-L181 HydrophobicContact CD2-CD1 3.83Å; F7-L181 HydrophobicContact CD2-CD2 4.38Å; F7-L181 HydrophobicContact CE1-CD1 3.48Å; F7-L181 VanDerWaalsContact CE1-CD1 3.48Å; F7-L181 HydrophobicContact CE2-CD1 3.61Å; F7-L181 HydrophobicContact CE2-CG 4.45Å; F7-L181 HydrophobicContact CG-CD1 3.91Å; F7-L181 HydrophobicContact CZ-CD1 3.38Å; Y79-L181 HydrophobicContact CD1-CD2 4.31Å; Y79-L181 HydrophobicContact CD2-CB 4.19Å; Y79-L181 HydrophobicContact CD2-CD2 4.4Å; Y79-L181 HydrophobicContact CE1-CD2 4.31Å; Y79-L181 HydrophobicContact CE2-CD2 4.4Å; Y79-L181 HydrophobicContact CG-CB 4.22Å; Y79-L181 HydrophobicContact CG-CD2 4.35Å; T178-L181 VanDerWaalsContact O-CB 3.3Å; T178-L181 WeakPolarHBondContact O-CB 3.31Å; T178-L181 PolarHBondContact O-N 2.8Å; A179-L181 VanDerWaalsContact C-N 3.32Å; A179-L181 PolarHBondContact O-N 3.04Å; L181-L183 PolarHBondContact O-N 2.66Å; L181-L184 HydrophobicContact CD1-CD1 3.99Å; L181-L184 WeakPolarHBondContact O-CB 3.31Å; L181-L184 PolarHBondContact O-N 2.81Å; L181-V220 HydrophobicContact CD1-CG1 3.97Å; L181-V220 HydrophobicContact CD2-CG1 3.52Å; L181-V220 HydrophobicContact CG-CG1 3.59Å; L181-V220 HydrophobicContact CG-CG2 4.47Å; L181-L222 HydrophobicContact CD2-CD1 4.12Å; L181-L222 HydrophobicContact CD2-CD2 3.81Å; L181-L222 HydrophobicContact CD2-CG 4.14Å |
| 182 | D | 93.4 | Very high | 93.5 | Very high | 28 Ų | 28 | 33.1 Ų | 33.1 | 15% | 0.15 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.9 | -24 | -179.1 | -64.4 | -28.1 | 0 | 0 | 0 | 112.5 | T178 A179 L180 I212 K216 | T178-D182 PolarHBondContact O-N 3.29Å; T178-D182 PolarHBondContact OG1-OD2 3.08Å; A179-D182 PolarHBondContact O-N 3.04Å; L180-D182 VanDerWaalsContact C-N 3.31Å; L180-D182 PolarHBondContact O-N 2.68Å; D182-I212 HydrophobicContact CB-CG2 4.03Å; D182-I212 WeakPolarHBondContact O-CG2 3.49Å; D182-K216 WeakPolarHBondContact OD1-CE 3.49Å; D182-K216 IonicContact OD1-NZ 3.38Å; D182-K216 PolarHBondContact OD1-NZ 3.35Å; D182-K216 WeakPolarHBondContact OD2-CE 3.13Å; D182-K216 IonicContact OD2-NZ 2.96Å; D182-K216 PolarHBondContact OD2-NZ 2.8Å |
| 183 | L | 95.9 | Very high | 93.1 | Very high | 11 Ų | 11 | 31.8 Ų | 31.8 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -75.7 | -22.5 | 175.5 | -69.3 | 179.9 | 0 | 0 | 0 | 113.5 | F83 I151 V166 I168 A179 L180 L181 F186 L187 | F83-L183 HydrophobicContact CE2-CB 4.38Å; I151-L183 HydrophobicContact CD1-CD1 3.93Å; I151-L183 HydrophobicContact CG1-CD1 4.37Å; I151-L183 HydrophobicContact CG2-CD1 4.19Å; V166-L183 HydrophobicContact CG1-CD1 4.25Å; V166-L183 HydrophobicContact CG1-CD2 3.75Å; I168-L183 HydrophobicContact CD1-CD1 3.82Å; I168-L183 HydrophobicContact CG1-CD1 4.33Å; A179-L183 WeakPolarHBondContact O-CG 3.31Å; A179-L183 PolarHBondContact O-N 2.65Å; L180-L183 PolarHBondContact O-N 2.84Å; L181-L183 PolarHBondContact O-N 2.66Å; L183-F186 PolarHBondContact O-N 3.47Å; L183-F186 VanDerWaalsContact O-N 3.12Å; L183-L187 HydrophobicContact CB-CD1 4.05Å; L183-L187 HydrophobicContact CB-CG 4.36Å; L183-L187 WeakPolarHBondContact O-CG 3.47Å; L183-L187 PolarHBondContact O-N 2.85Å |
| 184 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.5 | -49.9 | -171.9 | -69.2 | -178.4 | 0 | 0 | 0 | 113.9 | F7 Y9 F83 M86 V87 W90 L181 F186 L187 D188 | F7-L184 HydrophobicContact CE1-CD1 3.91Å; F7-L184 HydrophobicContact CZ-CD1 4.06Å; Y9-L184 HydrophobicContact CD2-CB 3.99Å; Y9-L184 HydrophobicContact CD2-CD1 3.97Å; Y9-L184 HydrophobicContact CE2-CB 3.69Å; Y9-L184 HydrophobicContact CG-CD1 4.45Å; F83-L184 HydrophobicContact CD2-CD2 3.65Å; F83-L184 HydrophobicContact CD2-CG 4.3Å; F83-L184 HydrophobicContact CE2-CD2 4.18Å; M86-L184 HydrophobicContact CB-CD1 4.42Å; M86-L184 HydrophobicContact CB-CD2 3.94Å; V87-L184 HydrophobicContact CG1-CD2 3.91Å; W90-L184 HydrophobicContact CH2-CB 4.43Å; W90-L184 HydrophobicContact CH2-CD2 4.28Å; W90-L184 HydrophobicContact CZ3-CD2 4.04Å; L181-L184 HydrophobicContact CD1-CD1 3.99Å; L181-L184 WeakPolarHBondContact O-CB 3.31Å; L181-L184 PolarHBondContact O-N 2.81Å; L184-F186 VanDerWaalsContact C-N 3.25Å; L184-F186 PolarHBondContact O-N 2.78Å; L184-L187 PolarHBondContact O-N 2.77Å; L184-D188 WeakPolarHBondContact O-CB 3.17Å; L184-D188 PolarHBondContact O-N 3Å |
| 185 | P | 93.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.6 | -35.7 | 179.3 | -22.1 | 34.2 | 0 | 0 | 0 | 112.8 | Y9 C189 L215 V220 | Y9-P185 HydrophobicContact CE2-CG 4.33Å; P185-C189 PolarHBondContact O-N 3.25Å; P185-C189 VanDerWaalsContact O-N 3.13Å; P185-C189 PolarHBondContact O-SG 3.31Å; P185-L215 HydrophobicContact CB-CB 4Å; P185-V220 HydrophobicContact CG-CG2 4.21Å |
| 186 | F | 92.6 | Very high | 93 | Very high | 38 Ų | 38 | 30.6 Ų | 30.6 | 17% | 0.167 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.1 | -45.4 | 179.8 | 177.6 | -107.9 | 0 | 0 | 0 | 111.6 | V166 L183 L184 D188 C189 L190 I199 L200 | V166-F186 HydrophobicContact CG1-CE1 4.48Å; V166-F186 HydrophobicContact CG2-CE1 4.22Å; L183-F186 PolarHBondContact O-N 3.47Å; L183-F186 VanDerWaalsContact O-N 3.12Å; L184-F186 VanDerWaalsContact C-N 3.25Å; L184-F186 PolarHBondContact O-N 2.78Å; F186-D188 VanDerWaalsContact C-N 3.34Å; F186-C189 PolarHBondContact O-N 3.37Å; F186-L190 HydrophobicContact CE1-CD2 4.3Å; F186-L190 WeakPolarHBondContact O-CB 3.3Å; F186-L190 PolarHBondContact O-N 2.94Å; F186-I199 HydrophobicContact CE2-CG2 3.69Å; F186-I199 HydrophobicContact CZ-CG2 3.93Å; F186-L200 HydrophobicContact CE1-CD2 3.67Å; F186-L200 HydrophobicContact CZ-CD2 3.62Å |
| 187 | L | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | 175.8 | -65.9 | 174 | 0 | 0 | 0 | 111.3 | L30 F83 V87 W90 Y91 I151 L183 L184 C189 L190 R191 | L30-L187 HydrophobicContact CD1-CD2 4.22Å; L30-L187 HydrophobicContact CD2-CD1 4.2Å; F83-L187 HydrophobicContact CE2-CD1 3.63Å; F83-L187 HydrophobicContact CZ-CD1 3.93Å; V87-L187 HydrophobicContact CG1-CD1 3.78Å; W90-L187 HydrophobicContact CZ3-CB 4.36Å; Y91-L187 HydrophobicContact CE2-CB 4.16Å; Y91-L187 PolarHBondContact OH-O 2.83Å; I151-L187 HydrophobicContact CD1-CD1 3.93Å; I151-L187 HydrophobicContact CD1-CD2 4.34Å; L183-L187 HydrophobicContact CB-CD1 4.05Å; L183-L187 HydrophobicContact CB-CG 4.36Å; L183-L187 WeakPolarHBondContact O-CG 3.47Å; L183-L187 PolarHBondContact O-N 2.85Å; L184-L187 PolarHBondContact O-N 2.77Å; L187-C189 VanDerWaalsContact C-N 3.31Å; L187-C189 PolarHBondContact O-N 3.24Å; L187-L190 HydrophobicContact CD2-CD2 4.48Å; L187-L190 PolarHBondContact O-N 2.6Å; L187-L190 VanDerWaalsContact O-N 3.1Å; L187-R191 PolarHBondContact O-N 3.21Å; L187-R191 VanDerWaalsContact O-N 3.15Å |
| 188 | D | 91.9 | Very high | 92.9 | Very high | 30 Ų | 30 | 30.7 Ų | 30.7 | 16% | 0.16 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 174.8 | -167 | 17 | 0 | 0 | 0 | 111.7 | Y9 W90 L184 F186 R191 F192 | Y9-D188 WeakPolarHBondContact OH-CB 3.48Å; Y9-D188 PolarHBondContact OH-OD2 2.91Å; W90-D188 HydrophobicContact CE3-CB 4.33Å; W90-D188 HydrophobicContact CH2-CB 3.72Å; W90-D188 HydrophobicContact CZ2-CB 4.1Å; W90-D188 HydrophobicContact CZ3-CB 3.85Å; L184-D188 WeakPolarHBondContact O-CB 3.17Å; L184-D188 PolarHBondContact O-N 3Å; F186-D188 VanDerWaalsContact C-N 3.34Å; D188-R191 WeakPolarHBondContact O-CD 3.35Å; D188-R191 WeakPolarHBondContact O-CG 3.25Å; D188-R191 WeakPolarHBondContact OD1-CD 3.39Å; D188-R191 IonicContact OD1-NH1 2.63Å; D188-F192 WeakPolarHBondContact O-CD2 3.2Å; D188-F192 VanDerWaalsContact O-CE2 3.27Å; D188-F192 WeakPolarHBondContact O-CE2 3.22Å |
| 189 | C | 89.9 | Confident | 92.6 | Very high | 74 Ų | 74 | 31.7 Ų | 31.7 | 50% | 0.5 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.3 | -41.2 | 172 | -72.7 | 0 | 0 | 0 | 0 | 112.9 | P185 F186 L187 R191 F192 | P185-C189 PolarHBondContact O-N 3.25Å; P185-C189 VanDerWaalsContact O-N 3.13Å; P185-C189 PolarHBondContact O-SG 3.31Å; F186-C189 PolarHBondContact O-N 3.37Å; L187-C189 VanDerWaalsContact C-N 3.31Å; L187-C189 PolarHBondContact O-N 3.24Å; C189-R191 PolarHBondContact O-N 3.12Å; C189-F192 PolarHBondContact O-N 2.83Å; C189-F192 VanDerWaalsContact O-N 3.17Å |
| 190 | L | 91.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.3 | -26.1 | -174.8 | -166.3 | 66.6 | 0 | 0 | 0 | 112.3 | K28 C149 F186 L187 F192 C193 V196 I199 L200 | K28-L190 WeakPolarHBondContact CE-O 3.4Å; C149-L190 HydrophobicContact CB-CD2 4.4Å; F186-L190 HydrophobicContact CE1-CD2 4.3Å; F186-L190 WeakPolarHBondContact O-CB 3.3Å; F186-L190 PolarHBondContact O-N 2.94Å; L187-L190 HydrophobicContact CD2-CD2 4.48Å; L187-L190 PolarHBondContact O-N 2.6Å; L187-L190 VanDerWaalsContact O-N 3.1Å; L190-F192 PolarHBondContact O-N 2.95Å; L190-C193 PolarHBondContact O-N 3.19Å; L190-V196 HydrophobicContact CD1-CB 3.88Å; L190-V196 HydrophobicContact CD1-CG1 4.05Å; L190-V196 HydrophobicContact CD2-CB 4.24Å; L190-V196 HydrophobicContact CD2-CG1 4.19Å; L190-V196 HydrophobicContact CG-CB 4.09Å; L190-V196 HydrophobicContact CG-CG1 3.82Å; L190-I199 HydrophobicContact CD1-CB 3.96Å; L190-I199 HydrophobicContact CD1-CG1 4.23Å; L190-I199 HydrophobicContact CD1-CG2 4.32Å; L190-L200 HydrophobicContact CD2-CD1 4.37Å; L190-L200 HydrophobicContact CD2-CD2 4.31Å; L190-L200 HydrophobicContact CD2-CG 4.48Å |
| 191 | R | 87.6 | Confident | 91.7 | Very high | 40 Ų | 40 | 36.5 Ų | 36.5 | 15% | 0.151 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27 | 177.1 | 87.3 | -167.9 | -79 | -156.8 | -5.2 | 113.3 | K28 W90 Y91 L187 D188 C189 | K28-R191 PolarHBondContact NZ-O 2.92Å; W90-R191 VanDerWaalsContact CD1-CZ 3.42Å; Y91-R191 HydrophobicContact CE2-CB 4.44Å; Y91-R191 PolarHBondContact OH-N 3.03Å; L187-R191 PolarHBondContact O-N 3.21Å; L187-R191 VanDerWaalsContact O-N 3.15Å; D188-R191 WeakPolarHBondContact O-CD 3.35Å; D188-R191 WeakPolarHBondContact O-CG 3.25Å; D188-R191 WeakPolarHBondContact OD1-CD 3.39Å; D188-R191 IonicContact OD1-NH1 2.63Å; C189-R191 PolarHBondContact O-N 3.12Å |
| 192 | F | 86.6 | Confident | 90.4 | Very high | 77 Ų | 77 | 44.3 Ų | 44.3 | 34% | 0.338 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -9.6 | -178.7 | -60 | -78.7 | 0 | 0 | 0 | 113.9 | V14 L18 L22 D188 C189 L190 | V14-F192 HydrophobicContact CG1-CE1 4.41Å; V14-F192 HydrophobicContact CG2-CZ 4.22Å; L18-F192 HydrophobicContact CD2-CD1 3.73Å; L18-F192 HydrophobicContact CD2-CE1 3.32Å; L18-F192 HydrophobicContact CD2-CZ 3.84Å; L18-F192 HydrophobicContact CG-CD1 4.02Å; L18-F192 HydrophobicContact CG-CE1 3.83Å; L22-F192 HydrophobicContact CD1-CD1 4.3Å; L22-F192 HydrophobicContact CD1-CE1 3.48Å; L22-F192 VanDerWaalsContact CD1-CE1 3.48Å; L22-F192 HydrophobicContact CD1-CZ 4.08Å; L22-F192 HydrophobicContact CD2-CD1 3.74Å; L22-F192 HydrophobicContact CD2-CE1 3.77Å; L22-F192 HydrophobicContact CG-CD1 4.03Å; L22-F192 HydrophobicContact CG-CE1 3.67Å; D188-F192 WeakPolarHBondContact O-CD2 3.2Å; D188-F192 VanDerWaalsContact O-CE2 3.27Å; D188-F192 WeakPolarHBondContact O-CE2 3.22Å; C189-F192 PolarHBondContact O-N 2.83Å; C189-F192 VanDerWaalsContact O-N 3.17Å; L190-F192 PolarHBondContact O-N 2.95Å |
| 193 | C | 87.5 | Confident | 88.7 | Confident | 27 Ų | 27 | 44 Ų | 44 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | trans | -72.7 | 141.7 | -179.2 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | K28 L190 I199 | K28-C193 WeakPolarHBondContact CE-O 3.4Å; K28-C193 PolarHBondContact NZ-O 2.88Å; L190-C193 PolarHBondContact O-N 3.19Å; C193-I199 HydrophobicContact CB-CG1 4.38Å; C193-I199 VanDerWaalsContact SG-CG1 3.5Å | ||
| 194 | S | 89.4 | Confident | 86.7 | Confident | 109 Ų | 109 | 47.9 Ų | 47.9 | 76% | 0.762 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -69.6 | -35.5 | 174.5 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 195 | D | 93.4 | Very high | 84.3 | Confident | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.16 | 28% | 0.281 | C | S | . | . | trans | -135 | 113.7 | 174.6 | -175.4 | -13.6 | 0 | 0 | 0 | 109.6 | R146 R197 S198 | R146-D195 WeakPolarHBondContact CA-OD1 3.3Å; R146-D195 HydrophobicContact CB-CB 3.99Å; R146-D195 HydrophobicContact CG-CB 4Å; R146-D195 WeakPolarHBondContact CG-OD2 3.29Å; R146-D195 WeakPolarHBondContact O-CA 3.33Å; D195-R197 PolarHBondContact O-N 3.31Å; D195-R197 WeakPolarHBondContact OD1-CB 3.37Å; D195-R197 WeakPolarHBondContact OD1-CG 3.44Å; D195-R197 IonicContact OD1-CZ 2.85Å; D195-R197 PolarHBondContact OD1-N 2.98Å; D195-R197 IonicContact OD1-NE 2.96Å; D195-R197 PolarHBondContact OD1-NE 2.91Å; D195-R197 IonicContact OD1-NH2 2.7Å; D195-R197 IonicContact OD2-CZ 3.56Å; D195-R197 IonicContact OD2-NE 3.84Å; D195-R197 PolarHBondContact OD2-NE 2.83Å; D195-R197 IonicContact OD2-NH2 3.84Å; D195-R197 PolarHBondContact OD2-NH2 3.15Å; D195-S198 WeakPolarHBondContact O-CB 3.34Å; D195-S198 PolarHBondContact O-N 2.83Å; D195-S198 VanDerWaalsContact O-N 3.15Å; D195-S198 PolarHBondContact O-OG 3.03Å | ||
| 196 | V | 94.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31.2 | 179.9 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | K28 R146 I148 C149 L190 S198 I199 L200 | K28-V196 HydrophobicContact CD-CG1 3.66Å; R146-V196 PolarHBondContact O-N 3Å; I148-V196 WeakPolarHBondContact O-CG2 3.32Å; C149-V196 HydrophobicContact CB-CG2 4.35Å; L190-V196 HydrophobicContact CD1-CB 3.88Å; L190-V196 HydrophobicContact CD1-CG1 4.05Å; L190-V196 HydrophobicContact CD2-CB 4.24Å; L190-V196 HydrophobicContact CD2-CG1 4.19Å; L190-V196 HydrophobicContact CG-CB 4.09Å; L190-V196 HydrophobicContact CG-CG1 3.82Å; V196-S198 PolarHBondContact O-N 2.99Å; V196-I199 PolarHBondContact O-N 3.17Å; V196-I199 VanDerWaalsContact O-N 3.17Å; V196-L200 HydrophobicContact CB-CD1 4.19Å; V196-L200 HydrophobicContact CG2-CD1 4.22Å; V196-L200 WeakPolarHBondContact O-CG 3.5Å; V196-L200 PolarHBondContact O-N 2.88Å |
| 197 | R | 95.1 | Very high | 79.6 | Confident | 64 Ų | 64 | 71.8 Ų | 71.8 | 24% | 0.242 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.7 | -29.2 | -177.5 | -56.3 | 172.7 | -64 | 169.4 | 5.9 | 112.2 | Q163 N164 D195 I199 L200 Q201 | Q163-R197 HydrophobicContact CB-CB 4.13Å; Q163-R197 HydrophobicContact CB-CG 4.16Å; Q163-R197 WeakPolarHBondContact O-CA 3.12Å; Q163-R197 WeakPolarHBondContact O-CG 3.35Å; N164-R197 WeakPolarHBondContact ND2-CG 3.31Å; N164-R197 WeakPolarHBondContact OD1-CD 3.43Å; D195-R197 PolarHBondContact O-N 3.31Å; D195-R197 WeakPolarHBondContact OD1-CB 3.37Å; D195-R197 WeakPolarHBondContact OD1-CG 3.44Å; D195-R197 IonicContact OD1-CZ 2.85Å; D195-R197 PolarHBondContact OD1-N 2.98Å; D195-R197 IonicContact OD1-NE 2.96Å; D195-R197 PolarHBondContact OD1-NE 2.91Å; D195-R197 IonicContact OD1-NH2 2.7Å; D195-R197 IonicContact OD2-CZ 3.56Å; D195-R197 IonicContact OD2-NE 3.84Å; D195-R197 PolarHBondContact OD2-NE 2.83Å; D195-R197 IonicContact OD2-NH2 3.84Å; D195-R197 PolarHBondContact OD2-NH2 3.15Å; R197-I199 PolarHBondContact O-N 2.97Å; R197-L200 PolarHBondContact O-N 3.5Å; R197-Q201 WeakPolarHBondContact O-CB 3.5Å; R197-Q201 PolarHBondContact O-N 3.35Å |
| 198 | S | 92.3 | Very high | 76.8 | Confident | 52 Ų | 52 | 75.4 Ų | 75.4 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61 | -26.7 | 177.4 | 71.6 | 0 | 0 | 0 | 0 | 113.1 | D195 V196 R202 | D195-S198 WeakPolarHBondContact O-CB 3.34Å; D195-S198 PolarHBondContact O-N 2.83Å; D195-S198 VanDerWaalsContact O-N 3.15Å; D195-S198 PolarHBondContact O-OG 3.03Å; V196-S198 PolarHBondContact O-N 2.99Å; S198-R202 PolarHBondContact O-NE 2.59Å |
| 199 | I | 90.4 | Very high | 74.4 | Confident | 61 Ų | 61 | 78.2 Ų | 78.2 | 31% | 0.313 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -94.6 | -47.6 | 176.1 | -55.3 | -53.4 | 0 | 0 | 0 | 110.4 | F186 L190 C193 V196 R197 Q201 R202 | F186-I199 HydrophobicContact CE2-CG2 3.69Å; F186-I199 HydrophobicContact CZ-CG2 3.93Å; L190-I199 HydrophobicContact CD1-CB 3.96Å; L190-I199 HydrophobicContact CD1-CG1 4.23Å; L190-I199 HydrophobicContact CD1-CG2 4.32Å; C193-I199 HydrophobicContact CB-CG1 4.38Å; C193-I199 VanDerWaalsContact SG-CG1 3.5Å; V196-I199 PolarHBondContact O-N 3.17Å; V196-I199 VanDerWaalsContact O-N 3.17Å; R197-I199 PolarHBondContact O-N 2.97Å; I199-Q201 PolarHBondContact O-N 3.43Å; I199-R202 PolarHBondContact O-N 2.96Å |
| 200 | L | 91.3 | Very high | 72.2 | Confident | 11 Ų | 11 | 78.9 Ų | 78.9 | 6% | 0.058 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.9 | -36.9 | -174 | -65.4 | 174.2 | 0 | 0 | 0 | 113.1 | C149 Q163 V166 F186 L190 V196 R197 R202 G203 | C149-L200 HydrophobicContact CB-CD1 3.9Å; Q163-L200 VanDerWaalsContact O-CB 3.26Å; Q163-L200 WeakPolarHBondContact O-CB 3.47Å; V166-L200 HydrophobicContact CG2-CD1 4.29Å; V166-L200 HydrophobicContact CG2-CD2 3.55Å; F186-L200 HydrophobicContact CE1-CD2 3.67Å; F186-L200 HydrophobicContact CZ-CD2 3.62Å; L190-L200 HydrophobicContact CD2-CD1 4.37Å; L190-L200 HydrophobicContact CD2-CD2 4.31Å; L190-L200 HydrophobicContact CD2-CG 4.48Å; V196-L200 HydrophobicContact CB-CD1 4.19Å; V196-L200 HydrophobicContact CG2-CD1 4.22Å; V196-L200 WeakPolarHBondContact O-CG 3.5Å; V196-L200 PolarHBondContact O-N 2.88Å; R197-L200 PolarHBondContact O-N 3.5Å; L200-R202 PolarHBondContact O-N 2.82Å; L200-G203 PolarHBondContact O-N 2.44Å |
| 201 | Q | 83.5 | Confident | 69.8 | Low | 107 Ų | 107 | 81.9 Ų | 81.9 | 50% | 0.5 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.5 | -31.8 | 177.8 | -172.9 | 178.1 | 13.9 | 0 | 0 | 112.7 | Q163 R197 I199 G203 S204 | Q163-Q201 HydrophobicContact CG-CB 4.41Å; Q163-Q201 HydrophobicContact CG-CG 4.29Å; R197-Q201 WeakPolarHBondContact O-CB 3.5Å; R197-Q201 PolarHBondContact O-N 3.35Å; I199-Q201 PolarHBondContact O-N 3.43Å; Q201-G203 PolarHBondContact O-N 3.12Å; Q201-S204 PolarHBondContact O-N 2.95Å |
| 202 | R | 68.3 | Low | 67.8 | Low | 167 Ų | 167 | 82.7 Ų | 82.7 | 63% | 0.63 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -70.4 | -23.8 | 178 | -61.2 | -178.2 | -175.6 | -167 | -1.9 | 112.4 | S198 I199 L200 D205 S208 | S198-R202 PolarHBondContact O-NE 2.59Å; I199-R202 PolarHBondContact O-N 2.96Å; L200-R202 PolarHBondContact O-N 2.82Å; R202-D205 PolarHBondContact O-N 3.39Å; R202-D205 VanDerWaalsContact O-O 3.05Å; R202-S208 PolarHBondContact O-OG 3.02Å |
| 203 | G | 57 | Low | 65.9 | Low | 22 Ų | 22 | 85.8 Ų | 85.8 | 23% | 0.227 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -74.5 | -28.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L200 Q201 D205 | L200-G203 PolarHBondContact O-N 2.44Å; Q201-G203 PolarHBondContact O-N 3.12Å; G203-D205 PolarHBondContact O-N 2.92Å |
| 204 | S | 53.3 | Low | 63.8 | Low | 92 Ų | 92 | 91.7 Ų | 91.7 | 64% | 0.643 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.7 | -28.1 | 173.4 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | Q201 R206 | Q201-S204 PolarHBondContact O-N 2.95Å; S204-R206 PolarHBondContact O-N 2.98Å |
| 205 | D | 46.4 | Very low | 61.6 | Low | 87 Ų | 87 | 89.5 Ų | 89.5 | 47% | 0.465 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -91.2 | 87.3 | 171.6 | -148.8 | -11.7 | 0 | 0 | 0 | 108.1 | R202 G203 R207 S208 | R202-D205 PolarHBondContact O-N 3.39Å; R202-D205 VanDerWaalsContact O-O 3.05Å; G203-D205 PolarHBondContact O-N 2.92Å; D205-R207 PolarHBondContact O-N 3.4Å; D205-R207 IonicContact OD1-CZ 3.62Å; D205-R207 IonicContact OD1-NE 3.46Å; D205-R207 IonicContact OD1-NH2 3.97Å; D205-R207 PolarHBondContact OD1-NH2 3.04Å; D205-S208 PolarHBondContact O-N 2.83Å |
| 206 | R | 47.1 | Very low | 59.3 | Low | 238 Ų | 238 | 91.3 Ų | 91.3 | 90% | 0.898 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -0.4 | -172.4 | -71.3 | -169.6 | 179.7 | -162.9 | 1.7 | 116.5 | S204 | S204-R206 PolarHBondContact O-N 2.98Š|
| 207 | R | 39.5 | Very low | 57 | Low | 219 Ų | 219 | 102.3 Ų | 102.3 | 83% | 0.826 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -13.2 | 179.6 | -73.3 | -178 | -81.2 | 177.9 | -4.5 | 115.2 | D205 | D205-R207 PolarHBondContact O-N 3.4Å; D205-R207 IonicContact OD1-CZ 3.62Å; D205-R207 IonicContact OD1-NE 3.46Å; D205-R207 IonicContact OD1-NH2 3.97Å; D205-R207 PolarHBondContact OD1-NH2 3.04Å |
| 208 | S | 35.6 | Very low | 54.8 | Low | 76 Ų | 76 | 104.5 Ų | 104.5 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -131 | 2.5 | -168.7 | 66.4 | 0 | 0 | 0 | 0 | 118.5 | R202 D205 V210 | R202-S208 PolarHBondContact O-OG 3.02Å; D205-S208 PolarHBondContact O-N 2.83Å; S208-V210 PolarHBondContact O-N 2.93Å |
| 209 | I | 42.8 | Very low | 53 | Low | 89 Ų | 89 | 102.9 Ų | 102.9 | 46% | 0.456 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -79 | 121.4 | 172.3 | -39.9 | -178.6 | 0 | 0 | 0 | 108.8 | P211 | I209-P211 VanDerWaalsContact O-CD 3.31Å; I209-P211 WeakPolarHBondContact O-CD 3.43Å; I209-P211 VanDerWaalsContact O-N 3.08Å |
| 210 | V | 43 | Very low | 51.3 | Low | 88 Ų | 88 | 101.2 Ų | 101.2 | 53% | 0.533 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 116.4 | 158.9 | 179 | 0 | 0 | 0 | 0 | 106.3 | S208 I212 K214 | S208-V210 PolarHBondContact O-N 2.93Å; V210-I212 PolarHBondContact O-N 3.11Å; V210-K214 HydrophobicContact CG1-CB 3.79Å; V210-K214 HydrophobicContact CG1-CD 3.83Å; V210-K214 HydrophobicContact CG1-CG 4.39Å |
| 211 | P | 40.2 | Very low | 49.9 | Very low | 64 Ų | 64 | 103.5 Ų | 103.5 | 42% | 0.416 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -47.8 | 131.5 | -175 | -28.9 | 33.9 | 0 | 0 | 0 | 109.5 | I209 E213 K214 | I209-P211 VanDerWaalsContact O-CD 3.31Å; I209-P211 WeakPolarHBondContact O-CD 3.43Å; I209-P211 VanDerWaalsContact O-N 3.08Å; P211-E213 HydrophobicContact CB-CB 4.13Å; P211-E213 PolarHBondContact O-N 2.68Å; P211-K214 WeakPolarHBondContact O-CB 3.42Å; P211-K214 PolarHBondContact O-N 2.88Å |
| 212 | I | 46.7 | Very low | 48.4 | Very low | 56 Ų | 56 | 102 Ų | 102 | 29% | 0.287 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -49.3 | -31.1 | 176.2 | -72.9 | 168.6 | 0 | 0 | 0 | 110.2 | D182 V210 K214 L215 K216 | D182-I212 HydrophobicContact CB-CG2 4.03Å; D182-I212 WeakPolarHBondContact O-CG2 3.49Å; V210-I212 PolarHBondContact O-N 3.11Å; I212-K214 PolarHBondContact O-N 3.13Å; I212-L215 WeakPolarHBondContact O-CA 3.41Å; I212-L215 WeakPolarHBondContact O-CB 3.47Å; I212-L215 PolarHBondContact O-N 3.29Å; I212-K216 WeakPolarHBondContact O-CG 3.37Å; I212-K216 PolarHBondContact O-N 3.15Å; I212-K216 VanDerWaalsContact O-N 3.1Å |
| 213 | E | 46.9 | Very low | 47.6 | Very low | 142 Ų | 142 | 102.5 Ų | 102.5 | 66% | 0.664 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -48.8 | -35.4 | 169.8 | -59.7 | 178.9 | 173.5 | 0 | 0 | 114.9 | P211 | P211-E213 HydrophobicContact CB-CB 4.13Å; P211-E213 PolarHBondContact O-N 2.68Å |
| 214 | K | 42.1 | Very low | 47 | Very low | 151 Ų | 151 | 106.9 Ų | 106.9 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -74.2 | -29.8 | 175 | -80 | -175.1 | 175.4 | -179.4 | 0 | 112.8 | V210 P211 I212 | V210-K214 HydrophobicContact CG1-CB 3.79Å; V210-K214 HydrophobicContact CG1-CD 3.83Å; V210-K214 HydrophobicContact CG1-CG 4.39Å; P211-K214 WeakPolarHBondContact O-CB 3.42Å; P211-K214 PolarHBondContact O-N 2.88Å; I212-K214 PolarHBondContact O-N 3.13Å |
| 215 | L | 43.2 | Very low | 46.6 | Very low | 64 Ų | 64 | 104.9 Ų | 104.9 | 34% | 0.335 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -76.6 | -25.8 | 174.5 | -72.7 | 165.2 | 0 | 0 | 0 | 112.3 | P185 I212 R217 T218 | P185-L215 HydrophobicContact CB-CB 4Å; I212-L215 WeakPolarHBondContact O-CA 3.41Å; I212-L215 WeakPolarHBondContact O-CB 3.47Å; I212-L215 PolarHBondContact O-N 3.29Å; L215-R217 PolarHBondContact O-N 3.24Å; L215-R217 VanDerWaalsContact O-N 3.14Å; L215-T218 PolarHBondContact O-N 2.81Å |
| 216 | K | 45.4 | Very low | 46.3 | Very low | 67 Ų | 67 | 106.4 Ų | 106.4 | 29% | 0.291 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -53.5 | -35.9 | -179.6 | -66.4 | -170.7 | -171.5 | -153.2 | 0 | 113.5 | D182 I212 T218 | D182-K216 WeakPolarHBondContact OD1-CE 3.49Å; D182-K216 IonicContact OD1-NZ 3.38Å; D182-K216 PolarHBondContact OD1-NZ 3.35Å; D182-K216 WeakPolarHBondContact OD2-CE 3.13Å; D182-K216 IonicContact OD2-NZ 2.96Å; D182-K216 PolarHBondContact OD2-NZ 2.8Å; I212-K216 WeakPolarHBondContact O-CG 3.37Å; I212-K216 PolarHBondContact O-N 3.15Å; I212-K216 VanDerWaalsContact O-N 3.1Å; K216-T218 VanDerWaalsContact C-N 3.29Å; K216-T218 PolarHBondContact O-N 2.86Å |
| 217 | R | 48.1 | Very low | 46 | Very low | 231 Ų | 231 | 103.6 Ų | 103.6 | 87% | 0.872 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.2 | -22.9 | -169.8 | -76.2 | -174.3 | 179.9 | 156.7 | 1.4 | 114.7 | L215 | L215-R217 PolarHBondContact O-N 3.24Å; L215-R217 VanDerWaalsContact O-N 3.14Å |
| 218 | T | 48.3 | Very low | 46.1 | Very low | 110 Ų | 110 | 101.8 Ų | 101.8 | 68% | 0.675 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -98.7 | -33.3 | -171 | -49.5 | 0 | 0 | 0 | 0 | 113.4 | L215 K216 | L215-T218 PolarHBondContact O-N 2.81Å; K216-T218 VanDerWaalsContact C-N 3.29Å; K216-T218 PolarHBondContact O-N 2.86Å |
| 219 | T | 54.1 | Low | 46.1 | Very low | 19 Ų | 19 | 107.4 Ų | 107.4 | 12% | 0.117 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -114.2 | -23.5 | -165.5 | -27 | 0 | 0 | 0 | 0 | 114.6 | Y9 K10 | Y9-T219 HydrophobicContact CD1-CG2 4.17Å; Y9-T219 HydrophobicContact CD2-CG2 3.77Å; Y9-T219 HydrophobicContact CE1-CG2 3.71Å; Y9-T219 HydrophobicContact CE2-CG2 3.29Å; Y9-T219 HydrophobicContact CG-CG2 4.2Å; K10-T219 PolarHBondContact N-O 2.63Å |
| 220 | V | 55.5 | Low | 46.3 | Very low | 25 Ų | 25 | 108.4 Ų | 108.4 | 15% | 0.152 | 55% | 0.55 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 104.9 | -172.9 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | F7 Y9 L181 P185 | F7-V220 HydrophobicContact CD2-CG1 3.88Å; F7-V220 HydrophobicContact CE2-CB 3.74Å; F7-V220 HydrophobicContact CE2-CG1 3.27Å; F7-V220 HydrophobicContact CE2-CG2 3.93Å; F7-V220 HydrophobicContact CZ-CB 4.32Å; F7-V220 HydrophobicContact CZ-CG1 4.07Å; F7-V220 HydrophobicContact CZ-CG2 3.99Å; Y9-V220 HydrophobicContact CD2-CG2 4.05Å; Y9-V220 HydrophobicContact CE2-CG2 4.34Å; L181-V220 HydrophobicContact CD1-CG1 3.97Å; L181-V220 HydrophobicContact CD2-CG1 3.52Å; L181-V220 HydrophobicContact CG-CG1 3.59Å; L181-V220 HydrophobicContact CG-CG2 4.47Å; P185-V220 HydrophobicContact CG-CG2 4.21Å |
| 221 | V | 60.3 | Low | 46.4 | Very low | 59 Ų | 59 | 109.4 Ų | 109.4 | 36% | 0.358 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.2 | 115.1 | 173.6 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | F7 T8 R223 | F7-V221 WeakPolarHBondContact CD2-O 3.47Å; T8-V221 PolarHBondContact N-O 3.45Å; T8-V221 PolarHBondContact O-N 2.8Å; V221-R223 HydrophobicContact CG1-CG 4.04Å |
| 222 | L | 52.2 | Low | 46.8 | Very low | 75 Ų | 75 | 111.9 Ų | 111.9 | 39% | 0.393 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 121.6 | 169.8 | -69.1 | 171.4 | 0 | 0 | 0 | 108.9 | F7 Y79 L181 | F7-L222 HydrophobicContact CB-CD2 4.02Å; F7-L222 HydrophobicContact CD2-CD2 4.04Å; F7-L222 HydrophobicContact CG-CD2 4.4Å; Y79-L222 HydrophobicContact CE1-CD2 3.78Å; L181-L222 HydrophobicContact CD2-CD1 4.12Å; L181-L222 HydrophobicContact CD2-CD2 3.81Å; L181-L222 HydrophobicContact CD2-CG 4.14Å |
| 223 | R | 52.6 | Low | 46.8 | Very low | 179 Ų | 179 | 115.2 Ų | 115.2 | 68% | 0.675 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.3 | 169.9 | -64.3 | -172.6 | 177.6 | -173.9 | -1.6 | 109.6 | Y5 Q6 V221 | Y5-R223 WeakPolarHBondContact CA-O 3.33Å; Q6-R223 PolarHBondContact N-O 2.84Å; Q6-R223 PolarHBondContact O-N 2.99Å; V221-R223 HydrophobicContact CG1-CG 4.04Å |
| 224 | E | 43.2 | Very low | 46.8 | Very low | 114 Ų | 114 | 113.6 Ų | 113.6 | 53% | 0.533 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.8 | 131 | 167.6 | -80.1 | -172.7 | 146.8 | 0 | 0 | 109 | K3 Y5 T226 | K3-E224 IonicContact NZ-OE1 3.91Å; K3-E224 PolarHBondContact NZ-OE1 3.47Å; Y5-E224 HydrophobicContact CD1-CG 3.71Å; Y5-E224 HydrophobicContact CE1-CG 3.28Å; Y5-E224 PolarHBondContact OH-OE1 2.87Å; E224-T226 PolarHBondContact O-N 3.19Å |
| 225 | S | 46.2 | Very low | 47.1 | Very low | 49 Ų | 49 | 111.1 Ų | 111.1 | 34% | 0.343 | 56% | 0.564 | S | S | . | * | trans | -77.6 | 108.2 | 170.7 | 63.8 | 0 | 0 | 0 | 0 | 109.4 | R4 K227 | R4-S225 WeakPolarHBondContact O-CB 3.45Å; R4-S225 PolarHBondContact O-N 3.31Å; R4-S225 VanDerWaalsContact O-N 3.14Å; R4-S225 PolarHBondContact O-OG 2.93Å; S225-K227 PolarHBondContact O-N 2.85Å | ||
| 226 | T | 40.4 | Very low | 47.4 | Very low | 120 Ų | 120 | 114.4 Ų | 114.4 | 74% | 0.736 | 58% | 0.58 | S | S | * | * | trans | -76 | 98.2 | 165.1 | 43.3 | 0 | 0 | 0 | 0 | 107.9 | E224 H228 | E224-T226 PolarHBondContact O-N 3.19Å; T226-H228 PolarHBondContact O-N 3.28Å | ||
| 227 | K | 40 | Very low | 47.5 | Very low | 179 Ų | 179 | 118.1 Ų | 118.1 | 78% | 0.778 | 60% | 0.602 | S | S | * | * | trans | -69.9 | 114 | 162.9 | -78.3 | -168.6 | 172.8 | -167.6 | 0 | 107.8 | S225 | S225-K227 PolarHBondContact O-N 2.85Š| ||
| 228 | H | 40.9 | Very low | 47.5 | Very low | 180 Ų | 180 | 108.7 Ų | 108.7 | 83% | 0.833 | 58% | 0.58 | S | S | * | * | trans | -73.1 | 129.7 | 157.6 | -77.9 | 0.9 | 0 | 0 | 0 | 107.8 | T226 | T226-H228 PolarHBondContact O-N 3.28Š| ||
| 229 | S | 36.1 | Very low | 47.4 | Very low | 195 Ų | 195 | 108.5 Ų | 108.5 | 100% | 1.364 | 57% | 0.571 | S | S | * | * | trans | -53 | 0 | -178.4 | -71.6 | 0 | 0 | 0 | 0 | 113.5 |
Retrieved 229 of 229 residues in 402.7 ms
(Link to these results)