| 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 | 31.4 | Very low | 32.8 | Very low | 248 Ų | 248 | 173.3 Ų | 173.3 | 100% | 1.222 | 86% | 0.858 | S | S | * | * | 0 | 107.9 | 0 | -90 | 174.1 | 155.3 | 0 | 0 | 107.7 | R3 | M1-R3 PolarHBondContact O-N 3.47Š| |||
| 2 | S | 31.2 | Very low | 35.5 | Very low | 121 Ų | 121 | 168.4 Ų | 168.4 | 85% | 0.846 | 84% | 0.844 | S | S | * | * | trans | -68.7 | 114.6 | -165.4 | 39.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 3 | R | 26.4 | Very low | 38.5 | Very low | 247 Ų | 247 | 156.4 Ų | 156.4 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | trans | -101 | 85.5 | 156.4 | -88 | -172.4 | -175.2 | 171.6 | 1.9 | 107.9 | M1 | M1-R3 PolarHBondContact O-N 3.47Š| ||
| 4 | Q | 27 | Very low | 40.7 | Very low | 180 Ų | 180 | 151.1 Ų | 151.1 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | trans | -166.5 | 136.6 | 162.6 | -112.3 | 163.7 | -13.5 | 0 | 0 | 106.4 | ||||
| 5 | E | 28.9 | Very low | 42.7 | Very low | 191 Ų | 191 | 147.9 Ų | 147.9 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | trans | 98.8 | 54 | -172.6 | -57 | 178.1 | 172.4 | 0 | 0 | 115.7 | ||||
| 6 | V | 28.1 | Very low | 44.6 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -102.2 | 91.7 | 136.4 | -172.1 | 0 | 0 | 0 | 0 | 105.6 | I8 | V6-I8 HydrophobicContact CG1-CD1 4.27Å; V6-I8 HydrophobicContact CG1-CG1 3.63Å; V6-I8 PolarHBondContact O-N 3.17Å | ||
| 7 | A | 28.3 | Very low | 46.2 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | -67.7 | 79.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y9 | A7-Y9 PolarHBondContact O-N 3.13Š| ||
| 8 | I | 35.3 | Very low | 47.5 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 68% | 0.682 | 71% | 0.708 | S | S | * | * | trans | -70.9 | 111.6 | 158.3 | -55.8 | -175.7 | 0 | 0 | 0 | 103.8 | V6 E10 | V6-I8 HydrophobicContact CG1-CD1 4.27Å; V6-I8 HydrophobicContact CG1-CG1 3.63Å; V6-I8 PolarHBondContact O-N 3.17Å; I8-E10 PolarHBondContact O-N 3.32Å | ||
| 9 | Y | 31.4 | Very low | 48.4 | Very low | 228 Ų | 228 | 138.8 Ų | 138.8 | 89% | 0.894 | 70% | 0.704 | S | S | * | * | trans | -50.6 | 95.9 | 166.1 | -106.6 | -102 | 0 | 0 | 0 | 107.7 | A7 Q11 | A7-Y9 PolarHBondContact O-N 3.13Å; Y9-Q11 VanDerWaalsContact C-N 3.25Å; Y9-Q11 PolarHBondContact O-N 3.11Å | ||
| 10 | E | 40.9 | Very low | 49.1 | Very low | 179 Ų | 179 | 132.6 Ų | 132.6 | 84% | 0.836 | 67% | 0.673 | S | S | * | * | trans | -71.2 | 90.8 | 172.3 | -122.7 | 176.8 | -176.5 | 0 | 0 | 105.8 | I8 V12 | I8-E10 PolarHBondContact O-N 3.32Å; E10-V12 VanDerWaalsContact C-N 3.31Å; E10-V12 PolarHBondContact O-N 3.35Å | ||
| 11 | Q | 51.9 | Low | 49.5 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 73% | 0.729 | 66% | 0.656 | S | S | * | * | trans | -68.3 | 95.7 | 175.9 | -162.2 | 171.8 | -4.8 | 0 | 0 | 107 | Y9 C13 | Y9-Q11 VanDerWaalsContact C-N 3.25Å; Y9-Q11 PolarHBondContact O-N 3.11Å; Q11-C13 PolarHBondContact O-N 3.45Å | ||
| 12 | V | 64.7 | Low | 50.6 | Low | 115 Ų | 115 | 122.8 Ų | 122.8 | 70% | 0.697 | 63% | 0.631 | S | S | * | * | trans | -53 | 123.6 | -178.8 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | E10 S14 | E10-V12 VanDerWaalsContact C-N 3.31Å; E10-V12 PolarHBondContact O-N 3.35Å; V12-S14 PolarHBondContact O-N 3.38Å | ||
| 13 | C | 75.1 | Confident | 51.2 | Low | 12 Ų | 12 | 123.5 Ų | 123.5 | 8% | 0.081 | 62% | 0.621 | C | S | . | * | trans | -60.2 | 134.2 | 175.7 | -66.1 | 0 | 0 | 0 | 0 | 110.4 | Q11 Q15 C177 E179 | Q11-C13 PolarHBondContact O-N 3.45Å; C13-Q15 PolarHBondContact O-N 3.29Å; C13-C177 WeakPolarHBondContact CA-SG 3.41Å; C13-C177 HydrophobicContact CB-CB 4.13Å; C13-C177 WeakPolarHBondContact CB-O 3.35Å; C13-C177 WeakPolarHBondContact CB-SG 3.43Å; C13-C177 WeakPolarHBondContact SG-CB 3.39Å; C13-C177 CovalentContact SG-SG 2.04Å; C13-C177 PolarHBondContact SG-SG 3.36Å; C13-E179 HydrophobicContact CB-CB 4.12Å | ||
| 14 | S | 68.6 | Low | 52.1 | Low | 82 Ų | 82 | 118.7 Ų | 118.7 | 57% | 0.573 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -67.1 | -19.1 | -176.7 | 50.6 | 0 | 0 | 0 | 0 | 113.4 | V12 | V12-S14 PolarHBondContact O-N 3.38Š|
| 15 | Q | 70.9 | Confident | 53 | Low | 104 Ų | 104 | 116 Ų | 116 | 49% | 0.486 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.2 | 175.7 | -103.1 | 178.5 | -10.1 | 0 | 0 | 111.7 | C13 I178 E179 | C13-Q15 PolarHBondContact O-N 3.29Å; Q15-I178 HydrophobicContact CB-CG1 3.97Å; Q15-I178 HydrophobicContact CB-CG2 4.47Å; Q15-E179 PolarHBondContact O-N 3.19Å |
| 16 | K | 73.7 | Confident | 53.5 | Low | 128 Ų | 128 | 113.4 Ų | 113.4 | 56% | 0.557 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116 | 128.2 | 169 | -68 | -168.4 | 179 | -135.2 | 0 | 109.7 | E179 | K16-E179 CarbonylContact C-O 3.56Å; K16-E179 VanDerWaalsContact CA-O 3.27Å; K16-E179 WeakPolarHBondContact CA-O 3.39Å; K16-E179 WeakPolarHBondContact CE-OE2 3.44Å; K16-E179 HydrophobicContact CG-CB 4.26Å; K16-E179 VanDerWaalsContact NZ-CD 3.29Å; K16-E179 IonicContact NZ-OE1 3.44Å; K16-E179 PolarHBondContact NZ-OE1 3.14Å; K16-E179 VanDerWaalsContact NZ-OE1 3.08Å; K16-E179 IonicContact NZ-OE2 2.93Å; K16-E179 PolarHBondContact NZ-OE2 3.48Å |
| 17 | L | 72.1 | Confident | 54.6 | Low | 49 Ų | 49 | 113.7 Ų | 113.7 | 26% | 0.257 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.8 | 127.6 | 177.1 | -74.1 | 119.6 | 0 | 0 | 0 | 111.5 | V20 I178 E179 F180 T181 | L17-V20 HydrophobicContact CB-CG2 3.53Å; L17-V20 HydrophobicContact CD2-CG2 4.27Å; L17-V20 HydrophobicContact CG-CG2 4.47Å; L17-I178 HydrophobicContact CD1-CG2 3.56Å; L17-E179 PolarHBondContact N-O 3.03Å; L17-F180 HydrophobicContact CB-CB 3.99Å; L17-F180 CarbonylContact O-C 3.58Å; L17-F180 WeakPolarHBondContact O-CA 3.23Å; L17-F180 VanDerWaalsContact O-CB 3.31Å; L17-F180 WeakPolarHBondContact O-CB 3.47Å; L17-T181 PolarHBondContact O-N 3.41Å |
| 18 | D | 69.2 | Low | 56.3 | Low | 123 Ų | 123 | 111 Ų | 111 | 66% | 0.658 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.2 | 146.3 | 177 | -66.7 | -40.8 | 0 | 0 | 0 | 112.1 | V20 T181 | D18-V20 PolarHBondContact O-N 3.48Å; D18-T181 PolarHBondContact OD1-OG1 3.28Å; D18-T181 VanDerWaalsContact OD1-OG1 3.11Å |
| 19 | N | 63.8 | Low | 58.2 | Low | 119 Ų | 119 | 107.9 Ų | 107.9 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.5 | 46.7 | 179.4 | -74.9 | -16.4 | 0 | 0 | 0 | 113.6 | S21 T181 | N19-S21 PolarHBondContact O-N 3.3Å; N19-T181 PolarHBondContact N-O 3.5Å |
| 20 | V | 63.1 | Low | 60.7 | Low | 14 Ų | 14 | 101.4 Ų | 101.4 | 9% | 0.085 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 114.2 | 174.6 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | L17 D18 R24 F180 T181 | L17-V20 HydrophobicContact CB-CG2 3.53Å; L17-V20 HydrophobicContact CD2-CG2 4.27Å; L17-V20 HydrophobicContact CG-CG2 4.47Å; D18-V20 PolarHBondContact O-N 3.48Å; V20-R24 HydrophobicContact CG1-CB 4.46Å; V20-F180 HydrophobicContact CB-CD2 4.4Å; V20-F180 HydrophobicContact CG2-CB 4.03Å; V20-F180 HydrophobicContact CG2-CD2 4.5Å; V20-T181 PolarHBondContact N-O 3.03Å |
| 21 | S | 58.4 | Low | 62.7 | Low | 44 Ų | 44 | 99.5 Ų | 99.5 | 31% | 0.308 | 52% | 0.522 | S | S | . | . | trans | -74.4 | 143.1 | 170.9 | 57.6 | 0 | 0 | 0 | 0 | 110.5 | N19 E23 R24 | N19-S21 PolarHBondContact O-N 3.3Å; S21-E23 PolarHBondContact O-N 3.09Å; S21-R24 PolarHBondContact O-N 3.14Å | ||
| 22 | D | 53 | Low | 64.4 | Low | 131 Ų | 131 | 99.1 Ų | 99.1 | 70% | 0.701 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -52.7 | -26.2 | 170.9 | -83.8 | -29.9 | 0 | 0 | 0 | 111.7 | R24 Y25 | D22-R24 PolarHBondContact O-N 2.99Å; D22-Y25 WeakPolarHBondContact O-CB 3.31Å; D22-Y25 PolarHBondContact O-N 3.5Å |
| 23 | E | 43.8 | Very low | 65.6 | Low | 136 Ų | 136 | 95.2 Ų | 95.2 | 64% | 0.636 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -61.4 | -21.2 | 176.5 | -68.7 | -167.1 | 160.9 | 0 | 0 | 114.9 | S21 Y25 L26 V27 | S21-E23 PolarHBondContact O-N 3.09Å; E23-Y25 PolarHBondContact O-N 3.33Å; E23-L26 HydrophobicContact CG-CD1 4.16Å; E23-L26 WeakPolarHBondContact O-CA 3.31Å; E23-L26 VanDerWaalsContact O-CB 3.31Å; E23-L26 WeakPolarHBondContact O-CB 3.36Å; E23-L26 PolarHBondContact O-N 3.45Å; E23-V27 PolarHBondContact O-N 2.93Å |
| 24 | R | 45.5 | Very low | 66.2 | Low | 145 Ų | 145 | 96.2 Ų | 96.2 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -66.3 | -20.7 | 174.5 | -155 | 176.6 | -66.3 | -173.3 | 2.7 | 112.2 | V20 S21 D22 | V20-R24 HydrophobicContact CG1-CB 4.46Å; S21-R24 PolarHBondContact O-N 3.14Å; D22-R24 PolarHBondContact O-N 2.99Å |
| 25 | Y | 46.2 | Very low | 67.4 | Low | 124 Ų | 124 | 96.5 Ų | 96.5 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -81.2 | -18 | 169.2 | -62.4 | -78.1 | 0 | 0 | 0 | 113.3 | D22 E23 W190 | D22-Y25 WeakPolarHBondContact O-CB 3.31Å; D22-Y25 PolarHBondContact O-N 3.5Å; E23-Y25 PolarHBondContact O-N 3.33Å; Y25-W190 AromaticContact CE1-CH2 3.8Å; Y25-W190 HydrophobicContact CE1-CH2 3.8Å; Y25-W190 AromaticContact CE1-CZ3 3.76Å; Y25-W190 HydrophobicContact CE1-CZ3 3.76Å; Y25-W190 HydrophobicContact CE2-CH2 4.26Å; Y25-W190 AromaticContact CZ-CH2 3.4Å; Y25-W190 VanDerWaalsContact CZ-CH2 3.4Å; Y25-W190 AromaticContact CZ-CZ3 3.63Å; Y25-W190 WeakPolarHBondContact OH-CH2 3.44Å; Y25-W190 WeakPolarHBondContact OH-CZ3 3.38Å |
| 26 | L | 40.2 | Very low | 68.5 | Low | 136 Ų | 136 | 97.1 Ų | 97.1 | 71% | 0.712 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -18 | 179.1 | -90.8 | 147.9 | 0 | 0 | 0 | 113.3 | E23 G28 | E23-L26 HydrophobicContact CG-CD1 4.16Å; E23-L26 WeakPolarHBondContact O-CA 3.31Å; E23-L26 VanDerWaalsContact O-CB 3.31Å; E23-L26 WeakPolarHBondContact O-CB 3.36Å; E23-L26 PolarHBondContact O-N 3.45Å; L26-G28 PolarHBondContact O-N 3.47Å; L26-G28 VanDerWaalsContact O-N 3.09Å |
| 27 | V | 50.7 | Low | 69.4 | Low | 134 Ų | 134 | 91.5 Ų | 91.5 | 81% | 0.812 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -80.3 | 28.6 | 168.8 | -160.9 | 0 | 0 | 0 | 0 | 111.2 | E23 | E23-V27 PolarHBondContact O-N 2.93Š|
| 28 | G | 63.8 | Low | 70.4 | Confident | 39 Ų | 39 | 89.4 Ų | 89.4 | 40% | 0.402 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -93.7 | 163.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L26 T30 | L26-G28 PolarHBondContact O-N 3.47Å; L26-G28 VanDerWaalsContact O-N 3.09Å; G28-T30 PolarHBondContact O-N 2.74Å |
| 29 | L | 74.5 | Confident | 71.6 | Confident | 68 Ų | 68 | 85 Ų | 85 | 36% | 0.356 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -48.9 | 142.6 | 167.7 | -105.6 | 68.8 | 0 | 0 | 0 | 110.9 | A33 K34 A37 L336 | L29-A33 HydrophobicContact CB-CB 4.11Å; L29-A33 HydrophobicContact CD2-CB 3.67Å; L29-A33 HydrophobicContact CG-CB 3.82Å; L29-K34 HydrophobicContact CB-CG 3.75Å; L29-K34 WeakPolarHBondContact O-CE 3.42Å; L29-A37 HydrophobicContact CD2-CB 4.45Å; L29-L336 HydrophobicContact CD1-CD2 3.43Å; L29-L336 VanDerWaalsContact CD1-CD2 3.43Å; L29-L336 HydrophobicContact CD2-CD2 4.18Å; L29-L336 HydrophobicContact CG-CD2 4.46Å |
| 30 | T | 83.9 | Confident | 73.2 | Confident | 92 Ų | 92 | 81.8 Ų | 81.8 | 56% | 0.564 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 151.5 | 171.2 | 64.1 | 0 | 0 | 0 | 0 | 110.3 | G28 E32 A33 K34 | G28-T30 PolarHBondContact O-N 2.74Å; T30-E32 PolarHBondContact O-N 3.07Å; T30-A33 WeakPolarHBondContact O-CB 3.47Å; T30-A33 PolarHBondContact O-N 3.29Å; T30-A33 WeakPolarHBondContact OG1-CB 3.47Å; T30-A33 PolarHBondContact OG1-N 3.47Å; T30-K34 PolarHBondContact O-N 3.47Å |
| 31 | M | 82.7 | Confident | 74.8 | Confident | 138 Ų | 138 | 81.1 Ų | 81.1 | 68% | 0.68 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -56.9 | -34.8 | 179.6 | -68.8 | -57.7 | -67.7 | 0 | 0 | 112.5 | K34 F35 L94 | M31-K34 PolarHBondContact O-N 2.99Å; M31-K34 HydrophobicContact SD-CD 4.45Å; M31-F35 PolarHBondContact O-N 2.69Å; M31-L94 HydrophobicContact CE-CD2 4.3Å |
| 32 | E | 88.2 | Confident | 76.6 | Confident | 149 Ų | 149 | 79.6 Ų | 79.6 | 70% | 0.696 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.8 | -49.1 | 173.2 | -62.1 | -177.6 | 177.5 | 0 | 0 | 111.5 | T30 K34 F35 F36 | T30-E32 PolarHBondContact O-N 3.07Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.2Å; E32-F35 WeakPolarHBondContact O-CB 3.42Å; E32-F35 PolarHBondContact O-N 3.01Å; E32-F35 VanDerWaalsContact O-N 3.14Å; E32-F36 WeakPolarHBondContact O-CD2 3.44Å; E32-F36 PolarHBondContact O-N 3.4Å; E32-F36 VanDerWaalsContact O-N 3.14Å |
| 33 | A | 89.4 | Confident | 78.7 | Confident | 32 Ų | 32 | 77.2 Ų | 77.2 | 26% | 0.264 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L29 T30 F35 F36 A37 | L29-A33 HydrophobicContact CB-CB 4.11Å; L29-A33 HydrophobicContact CD2-CB 3.67Å; L29-A33 HydrophobicContact CG-CB 3.82Å; T30-A33 WeakPolarHBondContact O-CB 3.47Å; T30-A33 PolarHBondContact O-N 3.29Å; T30-A33 WeakPolarHBondContact OG1-CB 3.47Å; T30-A33 PolarHBondContact OG1-N 3.47Å; A33-F35 VanDerWaalsContact C-N 3.33Å; A33-F35 PolarHBondContact O-N 2.94Å; A33-F36 PolarHBondContact O-N 3.33Å; A33-A37 WeakPolarHBondContact O-CB 3.49Å; A33-A37 PolarHBondContact O-N 3.48Å |
| 34 | K | 88.9 | Confident | 81.2 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 15% | 0.148 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 174.7 | -68.8 | -168.2 | 176.6 | -167.5 | 0 | 112.3 | L29 T30 M31 E32 A37 F38 E92 L94 | L29-K34 HydrophobicContact CB-CG 3.75Å; L29-K34 WeakPolarHBondContact O-CE 3.42Å; T30-K34 PolarHBondContact O-N 3.47Å; M31-K34 PolarHBondContact O-N 2.99Å; M31-K34 HydrophobicContact SD-CD 4.45Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.2Å; K34-A37 PolarHBondContact O-N 3.44Å; K34-F38 HydrophobicContact CB-CD2 4.34Å; K34-F38 WeakPolarHBondContact O-CB 3.18Å; K34-F38 WeakPolarHBondContact O-CD2 3.32Å; K34-F38 PolarHBondContact O-N 2.92Å; K34-E92 PolarHBondContact NZ-O 3.49Å; K34-L94 HydrophobicContact CB-CD1 4.28Å; K34-L94 HydrophobicContact CB-CD2 4.04Å; K34-L94 HydrophobicContact CB-CG 4.47Å; K34-L94 HydrophobicContact CD-CD2 4.24Å; K34-L94 HydrophobicContact CD-CG 4.4Å |
| 35 | F | 92.4 | Very high | 83.7 | Confident | 88 Ų | 88 | 65.6 Ų | 65.6 | 39% | 0.386 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -60.6 | -50.1 | 176.4 | 176.2 | -93 | 0 | 0 | 0 | 111.7 | M31 E32 A33 V39 L40 | M31-F35 PolarHBondContact O-N 2.69Å; E32-F35 WeakPolarHBondContact O-CB 3.42Å; E32-F35 PolarHBondContact O-N 3.01Å; E32-F35 VanDerWaalsContact O-N 3.14Å; A33-F35 VanDerWaalsContact C-N 3.33Å; A33-F35 PolarHBondContact O-N 2.94Å; F35-V39 HydrophobicContact CD2-CB 3.65Å; F35-V39 HydrophobicContact CD2-CG1 3.73Å; F35-V39 HydrophobicContact CD2-CG2 4.16Å; F35-V39 HydrophobicContact CE2-CB 4Å; F35-V39 HydrophobicContact CE2-CG1 3.62Å; F35-V39 HydrophobicContact CG-CB 4.29Å; F35-V39 WeakPolarHBondContact O-CA 3.43Å; F35-V39 WeakPolarHBondContact O-CB 3.3Å; F35-V39 PolarHBondContact O-N 3.01Å; F35-L40 HydrophobicContact CE1-CB 4.29Å; F35-L40 PolarHBondContact O-N 3.36Å |
| 36 | F | 94.2 | Very high | 86.2 | Confident | 117 Ų | 117 | 62.3 Ų | 62.3 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -66.6 | -38.2 | 178.9 | -70.4 | -72 | 0 | 0 | 0 | 112.2 | E32 A33 L40 P41 Y344 | E32-F36 WeakPolarHBondContact O-CD2 3.44Å; E32-F36 PolarHBondContact O-N 3.4Å; E32-F36 VanDerWaalsContact O-N 3.14Å; A33-F36 PolarHBondContact O-N 3.33Å; F36-L40 HydrophobicContact CD1-CD2 3.77Å; F36-L40 HydrophobicContact CE1-CD2 4.3Å; F36-P41 WeakPolarHBondContact O-CD 3.37Å; F36-Y344 PolarHBondContact O-OH 3.06Å |
| 37 | A | 93 | Very high | 88.9 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -72.8 | -37.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L29 A33 K34 P41 V340 | L29-A37 HydrophobicContact CD2-CB 4.45Å; A33-A37 WeakPolarHBondContact O-CB 3.49Å; A33-A37 PolarHBondContact O-N 3.48Å; K34-A37 PolarHBondContact O-N 3.44Å; A37-P41 WeakPolarHBondContact O-CG 3.37Å; A37-V340 HydrophobicContact CB-CG1 4.42Å; A37-V340 HydrophobicContact CB-CG2 3.65Å |
| 38 | F | 93.5 | Very high | 91 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -123.4 | -36.4 | -168 | -58.5 | -74.3 | 0 | 0 | 0 | 114.3 | K34 V42 N88 M89 E92 L94 L336 V340 L343 | K34-F38 HydrophobicContact CB-CD2 4.34Å; K34-F38 WeakPolarHBondContact O-CB 3.18Å; K34-F38 WeakPolarHBondContact O-CD2 3.32Å; K34-F38 PolarHBondContact O-N 2.92Å; F38-V42 WeakPolarHBondContact O-CG2 3.38Å; F38-N88 HydrophobicContact CD1-CB 4.34Å; F38-M89 HydrophobicContact CB-CG 3.93Å; F38-E92 HydrophobicContact CD1-CG 4.12Å; F38-E92 HydrophobicContact CD2-CB 4.42Å; F38-E92 HydrophobicContact CD2-CG 4.18Å; F38-E92 HydrophobicContact CE1-CG 3.68Å; F38-E92 HydrophobicContact CE2-CB 4.31Å; F38-E92 HydrophobicContact CE2-CG 3.73Å; F38-E92 HydrophobicContact CG-CG 4.37Å; F38-E92 HydrophobicContact CZ-CB 4.49Å; F38-E92 HydrophobicContact CZ-CG 3.46Å; F38-E92 VanDerWaalsContact CZ-CG 3.46Å; F38-L94 HydrophobicContact CB-CD1 3.62Å; F38-L94 HydrophobicContact CD2-CD1 4.17Å; F38-L94 HydrophobicContact CG-CD1 4.19Å; F38-L336 HydrophobicContact CE2-CD1 4.43Å; F38-L336 HydrophobicContact CZ-CD1 3.65Å; F38-V340 HydrophobicContact CE1-CG2 4.45Å; F38-V340 HydrophobicContact CZ-CG2 4.42Å; F38-L343 HydrophobicContact CD1-CD1 3.45Å; F38-L343 VanDerWaalsContact CD1-CD1 3.45Å; F38-L343 HydrophobicContact CE1-CD1 3.95Å; F38-L343 HydrophobicContact CG-CD1 4.47Å |
| 39 | V | 94.9 | Very high | 92.5 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -86 | -47.9 | -174.7 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | F35 P41 V42 I43 M89 L94 | F35-V39 HydrophobicContact CD2-CB 3.65Å; F35-V39 HydrophobicContact CD2-CG1 3.73Å; F35-V39 HydrophobicContact CD2-CG2 4.16Å; F35-V39 HydrophobicContact CE2-CB 4Å; F35-V39 HydrophobicContact CE2-CG1 3.62Å; F35-V39 HydrophobicContact CG-CB 4.29Å; F35-V39 WeakPolarHBondContact O-CA 3.43Å; F35-V39 WeakPolarHBondContact O-CB 3.3Å; F35-V39 PolarHBondContact O-N 3.01Å; V39-P41 VanDerWaalsContact C-CD 3.47Å; V39-V42 PolarHBondContact O-N 2.69Å; V39-I43 HydrophobicContact CG1-CD1 3.71Å; V39-I43 HydrophobicContact CG1-CG1 4.33Å; V39-I43 WeakPolarHBondContact O-CG1 3.46Å; V39-I43 PolarHBondContact O-N 3.33Å; V39-M89 HydrophobicContact CG2-SD 4.06Å; V39-L94 HydrophobicContact CG2-CD1 4Å |
| 40 | L | 96.1 | Very high | 93.5 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | -178.9 | -175.7 | 64.2 | 0 | 0 | 0 | 113.8 | F35 F36 V42 I43 T44 | F35-L40 HydrophobicContact CE1-CB 4.29Å; F35-L40 PolarHBondContact O-N 3.36Å; F36-L40 HydrophobicContact CD1-CD2 3.77Å; F36-L40 HydrophobicContact CE1-CD2 4.3Å; L40-V42 VanDerWaalsContact C-N 3.31Å; L40-V42 PolarHBondContact O-N 2.98Å; L40-I43 PolarHBondContact O-N 3.47Å; L40-T44 HydrophobicContact CD1-CG2 3.8Å; L40-T44 HydrophobicContact CG-CG2 4.27Å; L40-T44 WeakPolarHBondContact O-CB 3.43Å; L40-T44 WeakPolarHBondContact O-CG2 3.31Å; L40-T44 PolarHBondContact O-N 3.27Å; L40-T44 PolarHBondContact O-OG1 3.15Å |
| 41 | P | 96.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 177.4 | -16.3 | 27.9 | 0 | 0 | 0 | 112.2 | F36 A37 V39 T44 G45 L343 Y344 T347 | F36-P41 WeakPolarHBondContact O-CD 3.37Å; A37-P41 WeakPolarHBondContact O-CG 3.37Å; V39-P41 VanDerWaalsContact C-CD 3.47Å; P41-T44 PolarHBondContact O-OG1 2.91Å; P41-G45 WeakPolarHBondContact O-CA 3.38Å; P41-G45 PolarHBondContact O-N 2.98Å; P41-L343 HydrophobicContact CB-CB 3.96Å; P41-L343 VanDerWaalsContact CB-O 3.29Å; P41-L343 WeakPolarHBondContact CB-O 3.37Å; P41-L343 HydrophobicContact CG-CB 4.2Å; P41-Y344 HydrophobicContact CB-CD1 4.17Å; P41-Y344 HydrophobicContact CB-CD2 4.24Å; P41-Y344 HydrophobicContact CB-CE1 4.32Å; P41-Y344 HydrophobicContact CB-CE2 4.42Å; P41-Y344 HydrophobicContact CB-CG 4.14Å; P41-Y344 HydrophobicContact CG-CD1 4.25Å; P41-Y344 HydrophobicContact CG-CD2 3.72Å; P41-Y344 HydrophobicContact CG-CE1 4.05Å; P41-Y344 HydrophobicContact CG-CE2 3.53Å; P41-Y344 HydrophobicContact CG-CG 4.1Å; P41-T347 PolarHBondContact O-OG1 3.21Å |
| 42 | V | 96.5 | Very high | 94.2 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.8 | -49.6 | 179.5 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | F38 V39 L40 G45 I46 M89 | F38-V42 WeakPolarHBondContact O-CG2 3.38Å; V39-V42 PolarHBondContact O-N 2.69Å; L40-V42 VanDerWaalsContact C-N 3.31Å; L40-V42 PolarHBondContact O-N 2.98Å; V42-G45 PolarHBondContact O-N 3.25Å; V42-I46 HydrophobicContact CG1-CD1 3.74Å; V42-I46 WeakPolarHBondContact O-CB 3.38Å; V42-I46 VanDerWaalsContact O-CG1 3.22Å; V42-I46 WeakPolarHBondContact O-CG1 3.22Å; V42-I46 PolarHBondContact O-N 2.95Å; V42-M89 HydrophobicContact CB-CE 4.35Å; V42-M89 HydrophobicContact CG1-CE 4.05Å; V42-M89 HydrophobicContact CG2-CE 4.12Å; V42-M89 HydrophobicContact CG2-SD 4.42Å |
| 43 | I | 97.2 | Very high | 94.3 | Very high | 80 Ų | 80 | 41.5 Ų | 41.5 | 41% | 0.41 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.7 | -51.6 | 178.7 | -66.4 | 174.8 | 0 | 0 | 0 | 110.3 | V39 L40 I46 L47 | V39-I43 HydrophobicContact CG1-CD1 3.71Å; V39-I43 HydrophobicContact CG1-CG1 4.33Å; V39-I43 WeakPolarHBondContact O-CG1 3.46Å; V39-I43 PolarHBondContact O-N 3.33Å; L40-I43 PolarHBondContact O-N 3.47Å; I43-I46 PolarHBondContact O-N 2.99Å; I43-L47 HydrophobicContact CG2-CD1 3.7Å; I43-L47 HydrophobicContact CG2-CG 4.37Å; I43-L47 WeakPolarHBondContact O-CB 3.48Å; I43-L47 VanDerWaalsContact O-CG 3.23Å; I43-L47 WeakPolarHBondContact O-CG 3.4Å; I43-L47 PolarHBondContact O-N 3.01Å |
| 44 | T | 97.4 | Very high | 94.3 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.8 | -39.8 | -177.4 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | L40 P41 L47 L48 T347 | L40-T44 HydrophobicContact CD1-CG2 3.8Å; L40-T44 HydrophobicContact CG-CG2 4.27Å; L40-T44 WeakPolarHBondContact O-CB 3.43Å; L40-T44 WeakPolarHBondContact O-CG2 3.31Å; L40-T44 PolarHBondContact O-N 3.27Å; L40-T44 PolarHBondContact O-OG1 3.15Å; P41-T44 PolarHBondContact O-OG1 2.91Å; T44-L47 PolarHBondContact O-N 2.89Å; T44-L48 WeakPolarHBondContact O-CB 3.4Å; T44-L48 VanDerWaalsContact O-CG 3.27Å; T44-L48 WeakPolarHBondContact O-CG 3.42Å; T44-L48 PolarHBondContact O-N 3.29Å; T44-T347 WeakPolarHBondContact OG1-CG2 3.26Å; T44-T347 PolarHBondContact OG1-OG1 2.96Å |
| 45 | G | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P41 V42 N49 T347 | P41-G45 WeakPolarHBondContact O-CA 3.38Å; P41-G45 PolarHBondContact O-N 2.98Å; V42-G45 PolarHBondContact O-N 3.25Å; G45-N49 WeakPolarHBondContact O-CB 3.32Å; G45-N49 PolarHBondContact O-N 3.45Å; G45-N49 PolarHBondContact O-ND2 3.01Å; G45-T347 VanDerWaalsContact CA-OG1 3.32Å; G45-T347 WeakPolarHBondContact CA-OG1 3.16Å; G45-T347 PolarHBondContact N-OG1 3.48Å |
| 46 | I | 97.9 | Very high | 93.6 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 28% | 0.282 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.2 | -53.4 | 175.7 | -69.3 | 169.9 | 0 | 0 | 0 | 110.5 | V42 I43 L48 N49 V50 L78 A81 A82 | V42-I46 HydrophobicContact CG1-CD1 3.74Å; V42-I46 WeakPolarHBondContact O-CB 3.38Å; V42-I46 VanDerWaalsContact O-CG1 3.22Å; V42-I46 WeakPolarHBondContact O-CG1 3.22Å; V42-I46 PolarHBondContact O-N 2.95Å; I43-I46 PolarHBondContact O-N 2.99Å; I46-L48 PolarHBondContact O-N 3.09Å; I46-N49 PolarHBondContact O-N 2.79Å; I46-V50 HydrophobicContact CG2-CG2 4.19Å; I46-V50 WeakPolarHBondContact O-CB 3.31Å; I46-V50 VanDerWaalsContact O-CG2 3.25Å; I46-V50 WeakPolarHBondContact O-CG2 3.41Å; I46-V50 PolarHBondContact O-N 3.5Å; I46-L78 HydrophobicContact CB-CD1 4.13Å; I46-L78 HydrophobicContact CG1-CD1 4.04Å; I46-L78 HydrophobicContact CG2-CD1 3.98Å; I46-A81 HydrophobicContact CG1-CB 4.23Å; I46-A82 HydrophobicContact CD1-CB 4.43Å |
| 47 | L | 96.9 | Very high | 93.1 | Very high | 114 Ų | 114 | 36 Ų | 36 | 60% | 0.597 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -60.2 | -45.5 | -174.6 | -71.9 | 174.9 | 0 | 0 | 0 | 112.5 | I43 T44 L51 | I43-L47 HydrophobicContact CG2-CD1 3.7Å; I43-L47 HydrophobicContact CG2-CG 4.37Å; I43-L47 WeakPolarHBondContact O-CB 3.48Å; I43-L47 VanDerWaalsContact O-CG 3.23Å; I43-L47 WeakPolarHBondContact O-CG 3.4Å; I43-L47 PolarHBondContact O-N 3.01Å; T44-L47 PolarHBondContact O-N 2.89Å; L47-L51 WeakPolarHBondContact O-CB 3.48Å; L47-L51 PolarHBondContact O-N 3.03Å |
| 48 | L | 95.6 | Very high | 92.5 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 17% | 0.173 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.8 | -41.5 | -178.7 | -68.9 | 173.6 | 0 | 0 | 0 | 112.1 | T44 I46 L51 I52 T347 A350 L351 L354 | T44-L48 WeakPolarHBondContact O-CB 3.4Å; T44-L48 VanDerWaalsContact O-CG 3.27Å; T44-L48 WeakPolarHBondContact O-CG 3.42Å; T44-L48 PolarHBondContact O-N 3.29Å; I46-L48 PolarHBondContact O-N 3.09Å; L48-L51 WeakPolarHBondContact O-CB 3.48Å; L48-L51 PolarHBondContact O-N 3.04Å; L48-I52 WeakPolarHBondContact O-CG1 3.49Å; L48-I52 PolarHBondContact O-N 3.02Å; L48-T347 HydrophobicContact CD1-CG2 3.87Å; L48-A350 HydrophobicContact CB-CB 3.69Å; L48-A350 HydrophobicContact CD1-CB 4.23Å; L48-L351 HydrophobicContact CD1-CD2 3.8Å; L48-L351 HydrophobicContact CD1-CG 3.77Å; L48-L351 HydrophobicContact CD2-CD2 4.3Å; L48-L354 HydrophobicContact CD2-CD1 4.07Å |
| 49 | N | 95.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.8 | -35.6 | -179.2 | -75.9 | -68.1 | 0 | 0 | 0 | 112.5 | G45 I46 L51 I52 L53 D77 L78 P346 | G45-N49 WeakPolarHBondContact O-CB 3.32Å; G45-N49 PolarHBondContact O-N 3.45Å; G45-N49 PolarHBondContact O-ND2 3.01Å; I46-N49 PolarHBondContact O-N 2.79Å; N49-L51 VanDerWaalsContact C-N 3.32Å; N49-L51 PolarHBondContact O-N 3.1Å; N49-I52 PolarHBondContact O-N 3.06Å; N49-L53 WeakPolarHBondContact O-CB 3.45Å; N49-L53 PolarHBondContact O-N 3.49Å; N49-D77 WeakPolarHBondContact OD1-CB 3.48Å; N49-L78 HydrophobicContact CB-CB 3.99Å; N49-P346 PolarHBondContact ND2-O 3.23Å |
| 50 | V | 95.4 | Very high | 90 | Very high | 73 Ų | 73 | 49.7 Ų | 49.7 | 44% | 0.442 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 169.3 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | I46 L53 A54 L78 | I46-V50 HydrophobicContact CG2-CG2 4.19Å; I46-V50 WeakPolarHBondContact O-CB 3.31Å; I46-V50 VanDerWaalsContact O-CG2 3.25Å; I46-V50 WeakPolarHBondContact O-CG2 3.41Å; I46-V50 PolarHBondContact O-N 3.5Å; V50-L53 PolarHBondContact O-N 3.34Å; V50-A54 WeakPolarHBondContact O-CB 3.38Å; V50-A54 PolarHBondContact O-N 3.01Å; V50-L78 HydrophobicContact CG2-CD1 3.88Å; V50-L78 HydrophobicContact CG2-CD2 4.14Å |
| 51 | L | 91.7 | Very high | 88.4 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 37% | 0.366 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 175.8 | 175.4 | 62.4 | 0 | 0 | 0 | 111.5 | L47 L48 N49 A54 I55 | L47-L51 WeakPolarHBondContact O-CB 3.48Å; L47-L51 PolarHBondContact O-N 3.03Å; L48-L51 WeakPolarHBondContact O-CB 3.48Å; L48-L51 PolarHBondContact O-N 3.04Å; N49-L51 VanDerWaalsContact C-N 3.32Å; N49-L51 PolarHBondContact O-N 3.1Å; L51-A54 PolarHBondContact O-N 3.21Å; L51-I55 HydrophobicContact CD1-CD1 3.9Å; L51-I55 HydrophobicContact CD1-CG1 4.25Å; L51-I55 HydrophobicContact CG-CD1 3.81Å; L51-I55 VanDerWaalsContact O-CD1 3.25Å; L51-I55 WeakPolarHBondContact O-CD1 3.37Å; L51-I55 WeakPolarHBondContact O-CG1 3.3Å; L51-I55 PolarHBondContact O-N 3.45Å |
| 52 | I | 89.6 | Confident | 86.7 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 177.4 | -68.9 | 166.6 | 0 | 0 | 0 | 110.6 | L48 N49 A54 I55 V56 A74 A350 F353 L354 | L48-I52 WeakPolarHBondContact O-CG1 3.49Å; L48-I52 PolarHBondContact O-N 3.02Å; N49-I52 PolarHBondContact O-N 3.06Å; I52-A54 PolarHBondContact O-N 3.34Å; I52-I55 PolarHBondContact O-N 3.18Å; I52-V56 HydrophobicContact CG2-CG2 4.28Å; I52-V56 VanDerWaalsContact O-CG2 3.29Å; I52-V56 WeakPolarHBondContact O-CG2 3.31Å; I52-V56 PolarHBondContact O-N 3.36Å; I52-A74 HydrophobicContact CB-CB 4.26Å; I52-A74 HydrophobicContact CG2-CB 3.71Å; I52-A350 HydrophobicContact CD1-CB 3.59Å; I52-F353 HydrophobicContact CD1-CD1 3.89Å; I52-F353 HydrophobicContact CG1-CD1 4.14Å; I52-F353 HydrophobicContact CG2-CD1 4.12Å; I52-F353 HydrophobicContact CG2-CE1 4.02Å; I52-L354 HydrophobicContact CD1-CG 4.32Å; I52-L354 HydrophobicContact CG1-CD2 4.1Å; I52-L354 HydrophobicContact CG1-CG 4.3Å |
| 53 | L | 90.8 | Very high | 85 | Confident | 24 Ų | 24 | 56 Ų | 56 | 13% | 0.126 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.7 | -49.5 | 175.7 | -86.9 | 155.5 | 0 | 0 | 0 | 111.6 | N49 V50 I55 V56 L57 A74 F75 L78 | N49-L53 WeakPolarHBondContact O-CB 3.45Å; N49-L53 PolarHBondContact O-N 3.49Å; V50-L53 PolarHBondContact O-N 3.34Å; L53-I55 VanDerWaalsContact C-N 3.32Å; L53-I55 PolarHBondContact O-N 3.4Å; L53-V56 PolarHBondContact O-N 3.17Å; L53-L57 HydrophobicContact CD2-CD1 4.48Å; L53-L57 WeakPolarHBondContact O-CB 3.26Å; L53-L57 VanDerWaalsContact O-CG 3.24Å; L53-L57 WeakPolarHBondContact O-CG 3.17Å; L53-L57 PolarHBondContact O-N 3.48Å; L53-A74 HydrophobicContact CD1-CB 4.43Å; L53-A74 HydrophobicContact CG-CB 3.91Å; L53-F75 HydrophobicContact CD1-CB 4.37Å; L53-F75 HydrophobicContact CD1-CD2 4.22Å; L53-F75 HydrophobicContact CD2-CB 4.32Å; L53-L78 HydrophobicContact CD1-CD2 3.86Å |
| 54 | A | 88.6 | Confident | 83.3 | Confident | 45 Ų | 45 | 59.1 Ų | 59.1 | 37% | 0.372 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | V50 L51 I52 C58 | V50-A54 WeakPolarHBondContact O-CB 3.38Å; V50-A54 PolarHBondContact O-N 3.01Å; L51-A54 PolarHBondContact O-N 3.21Å; I52-A54 PolarHBondContact O-N 3.34Å; A54-C58 WeakPolarHBondContact O-CB 3.49Å; A54-C58 PolarHBondContact O-N 3.14Å; A54-C58 PolarHBondContact O-SG 3.41Å |
| 55 | I | 83.8 | Confident | 81.5 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.1 | -48.9 | 177.8 | -66.5 | 154 | 0 | 0 | 0 | 110.8 | L51 I52 L53 L57 C59 F62 V360 C364 L367 | L51-I55 HydrophobicContact CD1-CD1 3.9Å; L51-I55 HydrophobicContact CD1-CG1 4.25Å; L51-I55 HydrophobicContact CG-CD1 3.81Å; L51-I55 VanDerWaalsContact O-CD1 3.25Å; L51-I55 WeakPolarHBondContact O-CD1 3.37Å; L51-I55 WeakPolarHBondContact O-CG1 3.3Å; L51-I55 PolarHBondContact O-N 3.45Å; I52-I55 PolarHBondContact O-N 3.18Å; L53-I55 VanDerWaalsContact C-N 3.32Å; L53-I55 PolarHBondContact O-N 3.4Å; I55-L57 VanDerWaalsContact C-N 3.35Å; I55-L57 PolarHBondContact O-N 3.02Å; I55-C59 WeakPolarHBondContact O-CB 3.37Å; I55-C59 PolarHBondContact O-N 2.9Å; I55-C59 VanDerWaalsContact O-N 3.09Å; I55-C59 PolarHBondContact O-SG 3.38Å; I55-C59 VanDerWaalsContact O-SG 3.39Å; I55-F62 HydrophobicContact CG2-CE2 4.13Å; I55-V360 HydrophobicContact CD1-CG1 4.31Å; I55-V360 HydrophobicContact CG2-CG1 4.18Å; I55-C364 WeakPolarHBondContact CD1-SG 3.29Å; I55-L367 HydrophobicContact CG1-CD1 3.96Å |
| 56 | V | 82.9 | Confident | 79.8 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.024 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | -176.1 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | I52 L53 F62 H67 L70 C71 | I52-V56 HydrophobicContact CG2-CG2 4.28Å; I52-V56 VanDerWaalsContact O-CG2 3.29Å; I52-V56 WeakPolarHBondContact O-CG2 3.31Å; I52-V56 PolarHBondContact O-N 3.36Å; L53-V56 PolarHBondContact O-N 3.17Å; V56-F62 HydrophobicContact CG1-CB 4.07Å; V56-H67 HydrophobicContact CG1-CB 4.25Å; V56-L70 HydrophobicContact CG1-CD2 4.5Å; V56-L70 HydrophobicContact CG2-CD2 3.54Å; V56-L70 HydrophobicContact CG2-CG 4.04Å; V56-C71 WeakPolarHBondContact CG1-SG 3.42Å |
| 57 | L | 83.2 | Confident | 78.9 | Confident | 104 Ų | 104 | 66.1 Ų | 66.1 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -74.9 | -40.4 | -179.4 | -65.4 | 174.8 | 0 | 0 | 0 | 113.2 | L53 I55 H63 | L53-L57 HydrophobicContact CD2-CD1 4.48Å; L53-L57 WeakPolarHBondContact O-CB 3.26Å; L53-L57 VanDerWaalsContact O-CG 3.24Å; L53-L57 WeakPolarHBondContact O-CG 3.17Å; L53-L57 PolarHBondContact O-N 3.48Å; I55-L57 VanDerWaalsContact C-N 3.35Å; I55-L57 PolarHBondContact O-N 3.02Å; L57-H63 PolarHBondContact O-NE2 2.97Å |
| 58 | C | 81.4 | Confident | 78.4 | Confident | 99 Ų | 99 | 63 Ų | 63 | 67% | 0.669 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -82.6 | -23.3 | -175.9 | -63.4 | 0 | 0 | 0 | 0 | 113.6 | A54 | A54-C58 WeakPolarHBondContact O-CB 3.49Å; A54-C58 PolarHBondContact O-N 3.14Å; A54-C58 PolarHBondContact O-SG 3.41Å |
| 59 | C | 72 | Confident | 78.1 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | trans | -93.7 | 111.6 | -175.4 | -73 | 0 | 0 | 0 | 0 | 111.9 | I55 A61 F62 K363 | I55-C59 WeakPolarHBondContact O-CB 3.37Å; I55-C59 PolarHBondContact O-N 2.9Å; I55-C59 VanDerWaalsContact O-N 3.09Å; I55-C59 PolarHBondContact O-SG 3.38Å; I55-C59 VanDerWaalsContact O-SG 3.39Å; C59-A61 PolarHBondContact O-N 3.18Å; C59-F62 HydrophobicContact CB-CD2 3.64Å; C59-F62 HydrophobicContact CB-CE2 4.23Å; C59-F62 PolarHBondContact O-N 3.37Å; C59-K363 HydrophobicContact CB-CD 4.36Å | ||
| 60 | R | 63.2 | Low | 77.7 | Confident | 219 Ų | 219 | 62.7 Ų | 62.7 | 83% | 0.826 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -47.8 | -34.1 | 176.3 | -90.3 | -173.2 | 178.4 | 148 | -0.3 | 115.6 | F62 H63 | R60-F62 PolarHBondContact O-N 2.92Å; R60-F62 VanDerWaalsContact O-N 3.13Å; R60-H63 WeakPolarHBondContact O-CB 3.31Å; R60-H63 PolarHBondContact O-N 3.09Å |
| 61 | A | 63.5 | Low | 77.5 | Confident | 58 Ų | 58 | 60.6 Ų | 60.6 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -65.9 | -16.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C59 | C59-A61 PolarHBondContact O-N 3.18Š|
| 62 | F | 60.5 | Low | 77.6 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 10% | 0.101 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -98.8 | 5.4 | 174 | -62.2 | -75.9 | 0 | 0 | 0 | 113.1 | I55 V56 C59 R60 F64 H67 V360 K363 | I55-F62 HydrophobicContact CG2-CE2 4.13Å; V56-F62 HydrophobicContact CG1-CB 4.07Å; C59-F62 HydrophobicContact CB-CD2 3.64Å; C59-F62 HydrophobicContact CB-CE2 4.23Å; C59-F62 PolarHBondContact O-N 3.37Å; R60-F62 PolarHBondContact O-N 2.92Å; R60-F62 VanDerWaalsContact O-N 3.13Å; F62-F64 PolarHBondContact O-N 3.19Å; F62-H67 WeakPolarHBondContact CA-CD2 3.26Å; F62-H67 HydrophobicContact CB-CB 4.5Å; F62-H67 AromaticContact CD1-CE1 3.47Å; F62-H67 VanDerWaalsContact CD1-CE1 3.47Å; F62-H67 WeakPolarHBondContact CD1-CE1 3.42Å; F62-H67 AromaticContact CD1-ND1 3.62Å; F62-H67 AromaticContact CD1-NE2 3.77Å; F62-H67 VanDerWaalsContact O-CB 3.24Å; F62-H67 WeakPolarHBondContact O-CB 3.31Å; F62-H67 PolarHBondContact O-CD2 3.03Å; F62-V360 HydrophobicContact CE1-CG2 3.86Å; F62-V360 HydrophobicContact CE2-CG2 4.37Å; F62-V360 HydrophobicContact CZ-CB 4.38Å; F62-V360 HydrophobicContact CZ-CG2 3.45Å; F62-V360 VanDerWaalsContact CZ-CG2 3.45Å; F62-K363 HydrophobicContact CD2-CD 4.5Å; F62-K363 HydrophobicContact CE2-CD 3.69Å; F62-K363 HydrophobicContact CZ-CD 4.44Å |
| 63 | H | 61.2 | Low | 77.7 | Confident | 114 Ų | 114 | 59.3 Ų | 59.3 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | trans | -77.3 | 2.6 | 176.4 | -82.6 | -127.9 | 0 | 0 | 0 | 113.8 | L57 R60 | L57-H63 PolarHBondContact O-NE2 2.97Å; R60-H63 WeakPolarHBondContact O-CB 3.31Å; R60-H63 PolarHBondContact O-N 3.09Å | ||
| 64 | F | 61.2 | Low | 77.9 | Confident | 146 Ų | 146 | 58.3 Ų | 58.3 | 64% | 0.64 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -78.9 | 151.4 | 176.4 | -86.6 | -88.7 | 0 | 0 | 0 | 112.7 | F62 Q66 H67 | F62-F64 PolarHBondContact O-N 3.19Å; F64-Q66 HydrophobicContact CB-CG 4.34Å; F64-Q66 PolarHBondContact O-N 3.08Å; F64-H67 PolarHBondContact O-CD2 3.35Å; F64-H67 VanDerWaalsContact O-CD2 3.31Å; F64-H67 PolarHBondContact O-N 3.39Å |
| 65 | K | 59.9 | Low | 78.3 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 47% | 0.465 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -45.1 | -34 | -174.6 | -52.9 | -175.5 | 177.5 | -178 | 0 | 114.2 | H67 R148 | K65-H67 PolarHBondContact O-N 3.45Å; K65-H67 VanDerWaalsContact O-N 3.12Å; K65-R148 HydrophobicContact CB-CB 4.47Å; K65-R148 HydrophobicContact CD-CB 4.16Å; K65-R148 HydrophobicContact CG-CB 4.02Å |
| 66 | Q | 62.3 | Low | 78.9 | Confident | 104 Ų | 104 | 60.2 Ų | 60.2 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -68.2 | -0.9 | -178.3 | 69.6 | -169.2 | -14.9 | 0 | 0 | 116.1 | F64 | F64-Q66 HydrophobicContact CB-CG 4.34Å; F64-Q66 PolarHBondContact O-N 3.08Å |
| 67 | H | 78.2 | Confident | 79.6 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 13% | 0.13 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -109.8 | -2.9 | -176.3 | -59 | -61 | 0 | 0 | 0 | 114.9 | V56 F62 F64 K65 F69 L70 C71 | V56-H67 HydrophobicContact CG1-CB 4.25Å; F62-H67 WeakPolarHBondContact CA-CD2 3.26Å; F62-H67 HydrophobicContact CB-CB 4.5Å; F62-H67 AromaticContact CD1-CE1 3.47Å; F62-H67 VanDerWaalsContact CD1-CE1 3.47Å; F62-H67 WeakPolarHBondContact CD1-CE1 3.42Å; F62-H67 AromaticContact CD1-ND1 3.62Å; F62-H67 AromaticContact CD1-NE2 3.77Å; F62-H67 VanDerWaalsContact O-CB 3.24Å; F62-H67 WeakPolarHBondContact O-CB 3.31Å; F62-H67 PolarHBondContact O-CD2 3.03Å; F64-H67 PolarHBondContact O-CD2 3.35Å; F64-H67 VanDerWaalsContact O-CD2 3.31Å; F64-H67 PolarHBondContact O-N 3.39Å; K65-H67 PolarHBondContact O-N 3.45Å; K65-H67 VanDerWaalsContact O-N 3.12Å; H67-F69 VanDerWaalsContact C-N 3.34Å; H67-F69 PolarHBondContact O-N 3.47Å; H67-L70 WeakPolarHBondContact O-CB 3.37Å; H67-L70 PolarHBondContact O-N 2.99Å; H67-L70 VanDerWaalsContact O-N 3.09Å; H67-C71 PolarHBondContact O-N 3.36Å |
| 68 | L | 86.6 | Confident | 80.3 | Confident | 49 Ų | 49 | 56.6 Ų | 56.6 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 176.4 | -75.4 | 174.8 | 0 | 0 | 0 | 112.4 | L70 C71 N72 R148 I155 | L68-L70 VanDerWaalsContact C-N 3.26Å; L68-L70 PolarHBondContact O-N 2.9Å; L68-C71 PolarHBondContact O-N 3.05Å; L68-N72 WeakPolarHBondContact O-CB 3.4Å; L68-N72 PolarHBondContact O-N 3.22Å; L68-R148 HydrophobicContact CD1-CG 3.71Å; L68-I155 HydrophobicContact CB-CD1 3.91Å |
| 69 | F | 89.2 | Confident | 81.1 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 2% | 0.022 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65 | -31.7 | 175.5 | -72.6 | -82 | 0 | 0 | 0 | 112.6 | H67 N72 I73 C127 A128 E131 W146 I154 I155 | H67-F69 VanDerWaalsContact C-N 3.34Å; H67-F69 PolarHBondContact O-N 3.47Å; F69-N72 PolarHBondContact O-N 3Å; F69-I73 VanDerWaalsContact O-CG1 3.29Å; F69-I73 WeakPolarHBondContact O-CG1 3.2Å; F69-I73 PolarHBondContact O-N 3.48Å; F69-C127 HydrophobicContact CD1-CB 4.39Å; F69-C127 HydrophobicContact CE1-CB 3.92Å; F69-A128 HydrophobicContact CB-CB 4.24Å; F69-A128 HydrophobicContact CD1-CB 4.31Å; F69-E131 HydrophobicContact CD2-CB 4.27Å; F69-E131 HydrophobicContact CD2-CG 4.09Å; F69-E131 HydrophobicContact CE2-CB 4.45Å; F69-E131 HydrophobicContact CE2-CG 4.41Å; F69-W146 HydrophobicContact CD2-CZ2 4Å; F69-W146 HydrophobicContact CE2-CH2 4.01Å; F69-W146 AromaticContact CE2-CZ2 3.26Å; F69-W146 HydrophobicContact CE2-CZ2 3.26Å; F69-W146 HydrophobicContact CZ-CH2 4.05Å; F69-W146 AromaticContact CZ-CZ2 3.77Å; F69-W146 HydrophobicContact CZ-CZ2 3.77Å; F69-I154 HydrophobicContact CE1-CG2 4.11Å; F69-I154 HydrophobicContact CZ-CB 4.24Å; F69-I154 HydrophobicContact CZ-CG2 3.98Å; F69-I155 HydrophobicContact CD1-CD1 4.4Å; F69-I155 HydrophobicContact CD1-CG1 4.2Å; F69-I155 HydrophobicContact CE1-CD1 4.33Å; F69-I155 HydrophobicContact CE1-CG1 3.8Å; F69-I155 HydrophobicContact CZ-CD1 4.46Å; F69-I155 HydrophobicContact CZ-CG1 4.13Å |
| 70 | L | 87.5 | Confident | 82.3 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.1 | -44.4 | 175.8 | 179.7 | 63.8 | 0 | 0 | 0 | 111.4 | V56 H67 L68 N72 I73 A74 F353 | V56-L70 HydrophobicContact CG1-CD2 4.5Å; V56-L70 HydrophobicContact CG2-CD2 3.54Å; V56-L70 HydrophobicContact CG2-CG 4.04Å; H67-L70 WeakPolarHBondContact O-CB 3.37Å; H67-L70 PolarHBondContact O-N 2.99Å; H67-L70 VanDerWaalsContact O-N 3.09Å; L68-L70 VanDerWaalsContact C-N 3.26Å; L68-L70 PolarHBondContact O-N 2.9Å; L70-N72 VanDerWaalsContact C-N 3.28Å; L70-N72 PolarHBondContact O-N 3.4Å; L70-I73 PolarHBondContact O-N 3.35Å; L70-A74 PolarHBondContact O-N 2.95Å; L70-F353 HydrophobicContact CD1-CD1 4.35Å; L70-F353 HydrophobicContact CD1-CD2 3.75Å; L70-F353 HydrophobicContact CD1-CE1 3.88Å; L70-F353 HydrophobicContact CD1-CE2 3.22Å; L70-F353 HydrophobicContact CD1-CG 4.3Å; L70-F353 HydrophobicContact CD1-CZ 3.32Å; L70-F353 HydrophobicContact CD2-CE1 4.11Å; L70-F353 HydrophobicContact CD2-CE2 3.95Å; L70-F353 HydrophobicContact CD2-CZ 3.35Å; L70-F353 HydrophobicContact CG-CE2 4.21Å; L70-F353 HydrophobicContact CG-CZ 3.92Å |
| 71 | C | 89.9 | Confident | 83.9 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.1 | -44.7 | 171.2 | -70.5 | 0 | 0 | 0 | 0 | 111 | V56 H67 L68 A74 F75 | V56-C71 WeakPolarHBondContact CG1-SG 3.42Å; H67-C71 PolarHBondContact O-N 3.36Å; L68-C71 PolarHBondContact O-N 3.05Å; C71-A74 PolarHBondContact O-N 3.44Å; C71-F75 WeakPolarHBondContact O-CB 3.37Å; C71-F75 PolarHBondContact O-N 3.02Å |
| 72 | N | 93.5 | Very high | 85.5 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -46.6 | -179.8 | -176.6 | 71.1 | 0 | 0 | 0 | 111.9 | L68 F69 L70 F75 A76 G124 I155 W159 | L68-N72 WeakPolarHBondContact O-CB 3.4Å; L68-N72 PolarHBondContact O-N 3.22Å; F69-N72 PolarHBondContact O-N 3Å; L70-N72 VanDerWaalsContact C-N 3.28Å; L70-N72 PolarHBondContact O-N 3.4Å; N72-F75 PolarHBondContact O-N 3.17Å; N72-A76 VanDerWaalsContact O-CB 3.23Å; N72-A76 WeakPolarHBondContact O-CB 3.02Å; N72-A76 PolarHBondContact O-N 2.86Å; N72-G124 WeakPolarHBondContact ND2-CA 3.35Å; N72-I155 HydrophobicContact CB-CD1 4.07Å; N72-I155 HydrophobicContact CB-CG1 4.38Å; N72-I155 HydrophobicContact CB-CG2 4.48Å; N72-I155 WeakPolarHBondContact OD1-CG2 3.48Å; N72-W159 PolarHBondContact OD1-NE1 3.26Å |
| 73 | I | 93.5 | Very high | 87.2 | Confident | 38 Ų | 38 | 42.9 Ų | 42.9 | 20% | 0.195 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59 | -50.7 | 176 | -70.4 | 165.9 | 0 | 0 | 0 | 110.4 | F69 L70 F75 A76 D77 A128 | F69-I73 VanDerWaalsContact O-CG1 3.29Å; F69-I73 WeakPolarHBondContact O-CG1 3.2Å; F69-I73 PolarHBondContact O-N 3.48Å; L70-I73 PolarHBondContact O-N 3.35Å; I73-F75 VanDerWaalsContact C-N 3.29Å; I73-F75 PolarHBondContact O-N 2.76Å; I73-A76 PolarHBondContact O-N 3.33Å; I73-D77 WeakPolarHBondContact O-CB 3.38Å; I73-D77 PolarHBondContact O-N 3.35Å; I73-A128 HydrophobicContact CD1-CB 3.6Å; I73-A128 HydrophobicContact CG1-CB 4.34Å |
| 74 | A | 94.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -36.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I52 L53 L70 C71 L78 | I52-A74 HydrophobicContact CB-CB 4.26Å; I52-A74 HydrophobicContact CG2-CB 3.71Å; L53-A74 HydrophobicContact CD1-CB 4.43Å; L53-A74 HydrophobicContact CG-CB 3.91Å; L70-A74 PolarHBondContact O-N 2.95Å; C71-A74 PolarHBondContact O-N 3.44Å; A74-L78 VanDerWaalsContact O-CB 3.31Å; A74-L78 WeakPolarHBondContact O-CB 3.25Å; A74-L78 PolarHBondContact O-N 3Å |
| 75 | F | 96.3 | Very high | 90.4 | Very high | 87 Ų | 87 | 30.7 Ų | 30.7 | 38% | 0.382 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -72.2 | -38.4 | 175.9 | -170 | -112.9 | 0 | 0 | 0 | 112.6 | L53 C71 N72 I73 L78 L79 W159 | L53-F75 HydrophobicContact CD1-CB 4.37Å; L53-F75 HydrophobicContact CD1-CD2 4.22Å; L53-F75 HydrophobicContact CD2-CB 4.32Å; C71-F75 WeakPolarHBondContact O-CB 3.37Å; C71-F75 PolarHBondContact O-N 3.02Å; N72-F75 PolarHBondContact O-N 3.17Å; I73-F75 VanDerWaalsContact C-N 3.29Å; I73-F75 PolarHBondContact O-N 2.76Å; F75-L78 HydrophobicContact CD2-CD2 4.36Å; F75-L78 WeakPolarHBondContact O-CB 3.32Å; F75-L78 PolarHBondContact O-N 3.42Å; F75-L79 HydrophobicContact CD1-CD1 4.03Å; F75-L79 HydrophobicContact CD1-CG 4.47Å; F75-L79 HydrophobicContact CE1-CD1 3.68Å; F75-L79 HydrophobicContact CE1-CG 4.2Å; F75-L79 HydrophobicContact CZ-CD1 4.22Å; F75-L79 HydrophobicContact CZ-CD2 4.41Å; F75-L79 HydrophobicContact CZ-CG 4.32Å; F75-L79 WeakPolarHBondContact O-CG 3.48Å; F75-L79 PolarHBondContact O-N 3.24Å; F75-W159 AromaticContact CD1-CH2 3.78Å; F75-W159 HydrophobicContact CD1-CH2 3.78Å; F75-W159 AromaticContact CD1-CZ2 3.73Å; F75-W159 HydrophobicContact CD1-CZ2 3.73Å; F75-W159 AromaticContact CE1-CH2 3.56Å; F75-W159 HydrophobicContact CE1-CH2 3.56Å; F75-W159 AromaticContact CE1-CZ2 3.98Å; F75-W159 HydrophobicContact CE1-CZ2 3.98Å |
| 76 | A | 97.5 | Very high | 92 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.7 | -42.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N72 I73 L78 L79 L80 V120 M121 | N72-A76 VanDerWaalsContact O-CB 3.23Å; N72-A76 WeakPolarHBondContact O-CB 3.02Å; N72-A76 PolarHBondContact O-N 2.86Å; I73-A76 PolarHBondContact O-N 3.33Å; A76-L78 VanDerWaalsContact C-N 3.31Å; A76-L78 PolarHBondContact O-N 3.02Å; A76-L79 PolarHBondContact O-N 2.69Å; A76-L80 PolarHBondContact O-N 2.92Å; A76-V120 HydrophobicContact CB-CG1 3.81Å; A76-M121 HydrophobicContact CB-CB 4.16Å; A76-M121 HydrophobicContact CB-CG 4.47Å |
| 77 | D | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.3 | -38.1 | 174.1 | -74.8 | -3.9 | 0 | 0 | 0 | 110.8 | N49 I73 L80 A81 M121 P346 S349 | N49-D77 WeakPolarHBondContact OD1-CB 3.48Å; I73-D77 WeakPolarHBondContact O-CB 3.38Å; I73-D77 PolarHBondContact O-N 3.35Å; D77-L80 PolarHBondContact O-N 3.35Å; D77-A81 WeakPolarHBondContact O-CB 3.3Å; D77-A81 PolarHBondContact O-N 3.43Å; D77-M121 VanDerWaalsContact OD1-CG 3.23Å; D77-M121 WeakPolarHBondContact OD1-CG 3.02Å; D77-P346 HydrophobicContact CB-CB 4.13Å; D77-S349 WeakPolarHBondContact OD2-CB 3.31Å; D77-S349 PolarHBondContact OD2-OG 2.93Å |
| 78 | L | 97.4 | Very high | 94 | Very high | 30 Ų | 30 | 26.1 Ų | 26.1 | 16% | 0.157 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 172.7 | 177.5 | 64.3 | 0 | 0 | 0 | 112 | I46 N49 V50 L53 A74 F75 A76 L80 A81 A82 | I46-L78 HydrophobicContact CB-CD1 4.13Å; I46-L78 HydrophobicContact CG1-CD1 4.04Å; I46-L78 HydrophobicContact CG2-CD1 3.98Å; N49-L78 HydrophobicContact CB-CB 3.99Å; V50-L78 HydrophobicContact CG2-CD1 3.88Å; V50-L78 HydrophobicContact CG2-CD2 4.14Å; L53-L78 HydrophobicContact CD1-CD2 3.86Å; A74-L78 VanDerWaalsContact O-CB 3.31Å; A74-L78 WeakPolarHBondContact O-CB 3.25Å; A74-L78 PolarHBondContact O-N 3Å; F75-L78 HydrophobicContact CD2-CD2 4.36Å; F75-L78 WeakPolarHBondContact O-CB 3.32Å; F75-L78 PolarHBondContact O-N 3.42Å; A76-L78 VanDerWaalsContact C-N 3.31Å; A76-L78 PolarHBondContact O-N 3.02Å; L78-L80 VanDerWaalsContact C-N 3.32Å; L78-A81 PolarHBondContact O-N 3.5Å; L78-A82 WeakPolarHBondContact O-CB 3.36Å; L78-A82 PolarHBondContact O-N 3.44Å |
| 79 | L | 97.4 | Very high | 94.1 | Very high | 42 Ų | 42 | 25 Ų | 25 | 22% | 0.22 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.4 | -39.9 | 177.1 | -75.5 | 178.2 | 0 | 0 | 0 | 111.7 | F75 A76 A82 I83 W159 | F75-L79 HydrophobicContact CD1-CD1 4.03Å; F75-L79 HydrophobicContact CD1-CG 4.47Å; F75-L79 HydrophobicContact CE1-CD1 3.68Å; F75-L79 HydrophobicContact CE1-CG 4.2Å; F75-L79 HydrophobicContact CZ-CD1 4.22Å; F75-L79 HydrophobicContact CZ-CD2 4.41Å; F75-L79 HydrophobicContact CZ-CG 4.32Å; F75-L79 WeakPolarHBondContact O-CG 3.48Å; F75-L79 PolarHBondContact O-N 3.24Å; A76-L79 PolarHBondContact O-N 2.69Å; L79-A82 PolarHBondContact O-N 3.11Å; L79-I83 HydrophobicContact CB-CD1 4.47Å; L79-I83 HydrophobicContact CD2-CD1 4.14Å; L79-I83 VanDerWaalsContact O-CB 3.27Å; L79-I83 WeakPolarHBondContact O-CB 3.12Å; L79-I83 WeakPolarHBondContact O-CG1 3.37Å; L79-I83 PolarHBondContact O-N 2.83Å; L79-W159 HydrophobicContact CD1-CH2 3.49Å; L79-W159 VanDerWaalsContact CD1-CH2 3.49Å; L79-W159 HydrophobicContact CD1-CZ2 4.38Å; L79-W159 HydrophobicContact CD1-CZ3 4.19Å |
| 80 | L | 97.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -62.7 | -49.4 | 175.4 | -172.3 | 73.5 | 0 | 0 | 0 | 110.9 | A76 D77 L78 A82 C84 G85 Q118 M121 W302 Y345 P346 | A76-L80 PolarHBondContact O-N 2.92Å; D77-L80 PolarHBondContact O-N 3.35Å; L78-L80 VanDerWaalsContact C-N 3.32Å; L80-A82 VanDerWaalsContact C-N 3.32Å; L80-A82 PolarHBondContact O-N 2.9Å; L80-C84 HydrophobicContact CD1-CB 3.99Å; L80-C84 WeakPolarHBondContact CD1-SG 3.39Å; L80-C84 HydrophobicContact CG-CB 4.44Å; L80-C84 VanDerWaalsContact O-CB 3.27Å; L80-C84 WeakPolarHBondContact O-CB 3.42Å; L80-C84 PolarHBondContact O-N 3.35Å; L80-G85 PolarHBondContact O-N 3.49Å; L80-Q118 HydrophobicContact CD1-CB 4.41Å; L80-Q118 HydrophobicContact CD1-CG 3.71Å; L80-M121 HydrophobicContact CD2-CG 4.36Å; L80-M121 HydrophobicContact CD2-SD 3.37Å; L80-M121 WeakPolarHBondContact CD2-SD 3.14Å; L80-W302 HydrophobicContact CD1-CH2 4.43Å; L80-W302 HydrophobicContact CD2-CH2 4.4Å; L80-W302 HydrophobicContact CD2-CZ2 3.76Å; L80-Y345 HydrophobicContact CD2-CD1 4.42Å; L80-P346 HydrophobicContact CB-CG 4.28Å; L80-P346 HydrophobicContact CD2-CG 3.96Å; L80-P346 HydrophobicContact CG-CG 4.3Å |
| 81 | A | 97.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -59.5 | -42.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | I46 D77 L78 G85 P346 | I46-A81 HydrophobicContact CG1-CB 4.23Å; D77-A81 WeakPolarHBondContact O-CB 3.3Å; D77-A81 PolarHBondContact O-N 3.43Å; L78-A81 PolarHBondContact O-N 3.5Å; A81-G85 VanDerWaalsContact O-CA 3.28Å; A81-G85 WeakPolarHBondContact O-CA 3.3Å; A81-G85 PolarHBondContact O-N 3.38Å; A81-P346 HydrophobicContact CB-CB 3.97Å; A81-P346 HydrophobicContact CB-CG 3.98Å |
| 82 | A | 97 | Very high | 93.2 | Very high | 27 Ų | 27 | 30.3 Ų | 30.3 | 22% | 0.223 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -72.3 | -57.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I46 L78 L79 L80 I86 | I46-A82 HydrophobicContact CD1-CB 4.43Å; L78-A82 WeakPolarHBondContact O-CB 3.36Å; L78-A82 PolarHBondContact O-N 3.44Å; L79-A82 PolarHBondContact O-N 3.11Å; L80-A82 VanDerWaalsContact C-N 3.32Å; L80-A82 PolarHBondContact O-N 2.9Å; A82-I86 VanDerWaalsContact O-CB 3.24Å; A82-I86 WeakPolarHBondContact O-CB 3.42Å; A82-I86 VanDerWaalsContact O-CD1 3.25Å; A82-I86 WeakPolarHBondContact O-CD1 3.47Å; A82-I86 WeakPolarHBondContact O-CG1 3.36Å; A82-I86 PolarHBondContact O-N 2.99Å |
| 83 | I | 96.6 | Very high | 92.5 | Very high | 49 Ų | 49 | 31.8 Ų | 31.8 | 25% | 0.251 | 18% | 0.18 | S | C | . | . | I | π-helix | trans | -72.6 | -57 | -171.2 | -63.9 | 172.3 | 0 | 0 | 0 | 110.8 | L79 G85 I86 I87 A113 A117 | L79-I83 HydrophobicContact CB-CD1 4.47Å; L79-I83 HydrophobicContact CD2-CD1 4.14Å; L79-I83 VanDerWaalsContact O-CB 3.27Å; L79-I83 WeakPolarHBondContact O-CB 3.12Å; L79-I83 WeakPolarHBondContact O-CG1 3.37Å; L79-I83 PolarHBondContact O-N 2.83Å; I83-G85 VanDerWaalsContact C-N 3.29Å; I83-G85 PolarHBondContact O-N 3.42Å; I83-I86 PolarHBondContact O-N 2.94Å; I83-I87 HydrophobicContact CG2-CD1 3.87Å; I83-I87 VanDerWaalsContact O-CG1 3.29Å; I83-I87 WeakPolarHBondContact O-CG1 3.39Å; I83-I87 PolarHBondContact O-N 3.23Å; I83-A113 HydrophobicContact CG2-CB 3.74Å; I83-A117 HydrophobicContact CB-CB 4.18Å; I83-A117 HydrophobicContact CD1-CB 4.1Å; I83-A117 HydrophobicContact CG2-CB 4.32Å |
| 84 | C | 95.5 | Very high | 91.9 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -68 | -35 | -178.4 | -67.7 | 0 | 0 | 0 | 0 | 110.9 | L80 N88 | L80-C84 HydrophobicContact CD1-CB 3.99Å; L80-C84 WeakPolarHBondContact CD1-SG 3.39Å; L80-C84 HydrophobicContact CG-CB 4.44Å; L80-C84 VanDerWaalsContact O-CB 3.27Å; L80-C84 WeakPolarHBondContact O-CB 3.42Å; L80-C84 PolarHBondContact O-N 3.35Å; C84-N88 WeakPolarHBondContact O-CB 3.4Å; C84-N88 PolarHBondContact O-N 2.98Å; C84-N88 PolarHBondContact O-ND2 3.38Å |
| 85 | G | 93.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.6 | -53.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L80 A81 I83 I87 N88 M89 | L80-G85 PolarHBondContact O-N 3.49Å; A81-G85 VanDerWaalsContact O-CA 3.28Å; A81-G85 WeakPolarHBondContact O-CA 3.3Å; A81-G85 PolarHBondContact O-N 3.38Å; I83-G85 VanDerWaalsContact C-N 3.29Å; I83-G85 PolarHBondContact O-N 3.42Å; G85-I87 PolarHBondContact O-N 3.39Å; G85-N88 PolarHBondContact O-N 3.15Å; G85-M89 WeakPolarHBondContact O-CG 3.41Å; G85-M89 PolarHBondContact O-N 3.23Å |
| 86 | I | 92.3 | Very high | 89.7 | Confident | 83 Ų | 83 | 40.2 Ų | 40.2 | 43% | 0.426 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 179.4 | -70.5 | 166.7 | 0 | 0 | 0 | 111 | A82 I83 N88 M89 D90 M95 | A82-I86 VanDerWaalsContact O-CB 3.24Å; A82-I86 WeakPolarHBondContact O-CB 3.42Å; A82-I86 VanDerWaalsContact O-CD1 3.25Å; A82-I86 WeakPolarHBondContact O-CD1 3.47Å; A82-I86 WeakPolarHBondContact O-CG1 3.36Å; A82-I86 PolarHBondContact O-N 2.99Å; I83-I86 PolarHBondContact O-N 2.94Å; I86-N88 PolarHBondContact O-N 3.38Å; I86-M89 HydrophobicContact CG1-CE 4.08Å; I86-M89 PolarHBondContact O-N 2.74Å; I86-D90 PolarHBondContact O-N 3.49Å; I86-M95 HydrophobicContact CG2-SD 3.89Å |
| 87 | I | 92.4 | Very high | 88 | Confident | 24 Ų | 24 | 42.6 Ų | 42.6 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 179 | -68 | 170.9 | 0 | 0 | 0 | 111 | I83 G85 D90 V91 M110 E114 | I83-I87 HydrophobicContact CG2-CD1 3.87Å; I83-I87 VanDerWaalsContact O-CG1 3.29Å; I83-I87 WeakPolarHBondContact O-CG1 3.39Å; I83-I87 PolarHBondContact O-N 3.23Å; G85-I87 PolarHBondContact O-N 3.39Å; I87-D90 PolarHBondContact O-N 3.05Å; I87-V91 WeakPolarHBondContact O-CG2 3.01Å; I87-V91 PolarHBondContact O-N 3.42Å; I87-M110 HydrophobicContact CD1-CB 4.15Å; I87-M110 WeakPolarHBondContact CD1-O 3.49Å; I87-E114 HydrophobicContact CD1-CB 3.81Å; I87-E114 HydrophobicContact CD1-CG 4.27Å |
| 88 | N | 90.5 | Very high | 86 | Confident | 36 Ų | 36 | 46.8 Ų | 46.8 | 19% | 0.193 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 178.5 | -79.2 | -95 | 0 | 0 | 0 | 111.9 | F38 C84 G85 I86 D90 V91 E92 L343 | F38-N88 HydrophobicContact CD1-CB 4.34Å; C84-N88 WeakPolarHBondContact O-CB 3.4Å; C84-N88 PolarHBondContact O-N 2.98Å; C84-N88 PolarHBondContact O-ND2 3.38Å; G85-N88 PolarHBondContact O-N 3.15Å; I86-N88 PolarHBondContact O-N 3.38Å; N88-D90 VanDerWaalsContact C-N 3.31Å; N88-D90 PolarHBondContact O-N 2.95Å; N88-V91 PolarHBondContact O-N 2.96Å; N88-E92 WeakPolarHBondContact O-CB 3.23Å; N88-E92 VanDerWaalsContact O-CG 3.28Å; N88-E92 WeakPolarHBondContact O-CG 3.43Å; N88-E92 PolarHBondContact O-N 3Å; N88-L343 HydrophobicContact CB-CD1 4.09Å; N88-L343 HydrophobicContact CB-CD2 4.21Å |
| 89 | M | 89.3 | Confident | 84.1 | Confident | 26 Ų | 26 | 47.8 Ų | 47.8 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 173.4 | -73.9 | -173.4 | -62.4 | 0 | 0 | 112.4 | F38 V39 V42 G85 I86 E92 G93 L94 M95 | F38-M89 HydrophobicContact CB-CG 3.93Å; V39-M89 HydrophobicContact CG2-SD 4.06Å; V42-M89 HydrophobicContact CB-CE 4.35Å; V42-M89 HydrophobicContact CG1-CE 4.05Å; V42-M89 HydrophobicContact CG2-CE 4.12Å; V42-M89 HydrophobicContact CG2-SD 4.42Å; G85-M89 WeakPolarHBondContact O-CG 3.41Å; G85-M89 PolarHBondContact O-N 3.23Å; I86-M89 HydrophobicContact CG1-CE 4.08Å; I86-M89 PolarHBondContact O-N 2.74Å; M89-E92 PolarHBondContact O-N 3.47Å; M89-G93 PolarHBondContact O-N 3.03Å; M89-L94 HydrophobicContact CB-CB 4.19Å; M89-L94 HydrophobicContact CB-CD1 4.33Å; M89-L94 HydrophobicContact CG-CD1 4.05Å; M89-L94 WeakPolarHBondContact O-CB 3.3Å; M89-L94 PolarHBondContact O-N 3.2Å; M89-M95 HydrophobicContact CB-CG 4.37Å |
| 90 | D | 85.5 | Confident | 82.2 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.7 | -45 | 175.8 | -176.6 | 76.9 | 0 | 0 | 0 | 112.1 | I86 I87 N88 E92 G93 M95 S97 R102 | I86-D90 PolarHBondContact O-N 3.49Å; I87-D90 PolarHBondContact O-N 3.05Å; N88-D90 VanDerWaalsContact C-N 3.31Å; N88-D90 PolarHBondContact O-N 2.95Å; D90-E92 VanDerWaalsContact C-N 3.26Å; D90-E92 PolarHBondContact O-N 2.86Å; D90-G93 PolarHBondContact O-N 3.07Å; D90-G93 VanDerWaalsContact O-N 3.13Å; D90-M95 HydrophobicContact CB-CB 4.45Å; D90-M95 HydrophobicContact CB-CG 4.36Å; D90-M95 HydrophobicContact CB-SD 4.19Å; D90-S97 WeakPolarHBondContact OD1-CB 3.49Å; D90-S97 PolarHBondContact OD1-OG 3.32Å; D90-R102 IonicContact OD2-CZ 3.78Å; D90-R102 IonicContact OD2-NH1 3.08Å; D90-R102 PolarHBondContact OD2-NH1 2.84Å; D90-R102 IonicContact OD2-NH2 2.8Å |
| 91 | V | 82 | Confident | 80.6 | Confident | 92 Ų | 92 | 50.7 Ų | 50.7 | 56% | 0.558 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.2 | -36.7 | 177 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | I87 N88 G93 | I87-V91 WeakPolarHBondContact O-CG2 3.01Å; I87-V91 PolarHBondContact O-N 3.42Å; N88-V91 PolarHBondContact O-N 2.96Å; V91-G93 PolarHBondContact O-N 3.35Å |
| 92 | E | 80.6 | Confident | 79.8 | Confident | 60 Ų | 60 | 51.6 Ų | 51.6 | 28% | 0.28 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 4.7 | -179.9 | -66.9 | -66.2 | 151.2 | 0 | 0 | 114.3 | K34 F38 N88 M89 D90 L94 | K34-E92 PolarHBondContact NZ-O 3.49Å; F38-E92 HydrophobicContact CD1-CG 4.12Å; F38-E92 HydrophobicContact CD2-CB 4.42Å; F38-E92 HydrophobicContact CD2-CG 4.18Å; F38-E92 HydrophobicContact CE1-CG 3.68Å; F38-E92 HydrophobicContact CE2-CB 4.31Å; F38-E92 HydrophobicContact CE2-CG 3.73Å; F38-E92 HydrophobicContact CG-CG 4.37Å; F38-E92 HydrophobicContact CZ-CB 4.49Å; F38-E92 HydrophobicContact CZ-CG 3.46Å; F38-E92 VanDerWaalsContact CZ-CG 3.46Å; N88-E92 WeakPolarHBondContact O-CB 3.23Å; N88-E92 VanDerWaalsContact O-CG 3.28Å; N88-E92 WeakPolarHBondContact O-CG 3.43Å; N88-E92 PolarHBondContact O-N 3Å; M89-E92 PolarHBondContact O-N 3.47Å; D90-E92 VanDerWaalsContact C-N 3.26Å; D90-E92 PolarHBondContact O-N 2.86Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 2.89Å |
| 93 | G | 77.3 | Confident | 79.3 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 21.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M89 D90 V91 M95 | M89-G93 PolarHBondContact O-N 3.03Å; D90-G93 PolarHBondContact O-N 3.07Å; D90-G93 VanDerWaalsContact O-N 3.13Å; V91-G93 PolarHBondContact O-N 3.35Å; G93-M95 VanDerWaalsContact C-N 3.28Å |
| 94 | L | 82.4 | Confident | 78.8 | Confident | 51 Ų | 51 | 57.5 Ų | 57.5 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | trans | -77.9 | -17.7 | 172.7 | -74.3 | 163.9 | 0 | 0 | 0 | 112.3 | M31 K34 F38 V39 M89 E92 | M31-L94 HydrophobicContact CE-CD2 4.3Å; K34-L94 HydrophobicContact CB-CD1 4.28Å; K34-L94 HydrophobicContact CB-CD2 4.04Å; K34-L94 HydrophobicContact CB-CG 4.47Å; K34-L94 HydrophobicContact CD-CD2 4.24Å; K34-L94 HydrophobicContact CD-CG 4.4Å; F38-L94 HydrophobicContact CB-CD1 3.62Å; F38-L94 HydrophobicContact CD2-CD1 4.17Å; F38-L94 HydrophobicContact CG-CD1 4.19Å; V39-L94 HydrophobicContact CG2-CD1 4Å; M89-L94 HydrophobicContact CB-CB 4.19Å; M89-L94 HydrophobicContact CB-CD1 4.33Å; M89-L94 HydrophobicContact CG-CD1 4.05Å; M89-L94 WeakPolarHBondContact O-CB 3.3Å; M89-L94 PolarHBondContact O-N 3.2Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 2.89Å | ||
| 95 | M | 77.8 | Confident | 78.6 | Confident | 78 Ų | 78 | 60.9 Ų | 60.9 | 38% | 0.384 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -99.7 | 132 | 171.7 | -55.9 | -162.7 | 81.5 | 0 | 0 | 109.1 | I86 M89 D90 G93 S97 | I86-M95 HydrophobicContact CG2-SD 3.89Å; M89-M95 HydrophobicContact CB-CG 4.37Å; D90-M95 HydrophobicContact CB-CB 4.45Å; D90-M95 HydrophobicContact CB-CG 4.36Å; D90-M95 HydrophobicContact CB-SD 4.19Å; G93-M95 VanDerWaalsContact C-N 3.28Å; M95-S97 PolarHBondContact O-N 3.13Å |
| 96 | N | 65.8 | Low | 78.5 | Confident | 175 Ų | 175 | 64.2 Ų | 64.2 | 94% | 0.936 | 38% | 0.375 | S | S | * | . | trans | -71.8 | 43.7 | 172.9 | -85.1 | -1.5 | 0 | 0 | 0 | 111.7 | S98 | N96-S98 PolarHBondContact O-N 3.04Š| ||
| 97 | S | 61.5 | Low | 78.5 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 34% | 0.343 | 36% | 0.355 | S | S | . | . | trans | -73.3 | 114 | 174.5 | -59.5 | 0 | 0 | 0 | 0 | 107.9 | D90 M95 H99 | D90-S97 WeakPolarHBondContact OD1-CB 3.49Å; D90-S97 PolarHBondContact OD1-OG 3.32Å; M95-S97 PolarHBondContact O-N 3.13Å; S97-H99 PolarHBondContact O-N 2.91Å; S97-H99 PolarHBondContact O-ND1 3.13Å | ||
| 98 | S | 56.3 | Low | 78.6 | Confident | 89 Ų | 89 | 59.7 Ų | 59.7 | 62% | 0.622 | 35% | 0.353 | S | S | * | . | trans | -60.5 | 108 | 174.2 | 46.5 | 0 | 0 | 0 | 0 | 108.8 | N96 G100 A101 | N96-S98 PolarHBondContact O-N 3.04Å; S98-G100 PolarHBondContact O-N 3.45Å; S98-A101 PolarHBondContact O-N 3Å | ||
| 99 | H | 58 | Low | 78.9 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 24% | 0.241 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -58.4 | -15.8 | -177.3 | -72.8 | 47.7 | 0 | 0 | 0 | 112.3 | S97 A101 R102 W190 Y191 | S97-H99 PolarHBondContact O-N 2.91Å; S97-H99 PolarHBondContact O-ND1 3.13Å; H99-A101 VanDerWaalsContact C-N 3.3Å; H99-A101 PolarHBondContact O-N 3.42Å; H99-R102 PolarHBondContact CD2-NH2 3.04Å; H99-R102 PolarHBondContact NE2-NH2 3.29Å; H99-R102 VanDerWaalsContact NE2-NH2 3.16Å; H99-W190 HydrophobicContact CB-CB 4.26Å; H99-W190 HydrophobicContact CB-CD2 4.25Å; H99-W190 HydrophobicContact CB-CE3 4.48Å; H99-W190 HydrophobicContact CB-CG 4.16Å; H99-Y191 CarbonylContact O-C 3.55Å; H99-Y191 WeakPolarHBondContact O-CA 3.15Å; H99-Y191 WeakPolarHBondContact O-CB 3.48Å; H99-Y191 PolarHBondContact O-N 3.18Å |
| 100 | G | 57 | Low | 79.1 | Confident | 48 Ų | 48 | 64.3 Ų | 64.3 | 50% | 0.495 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -67.4 | -19.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S98 | S98-G100 PolarHBondContact O-N 3.45Š|
| 101 | A | 64.5 | Low | 79.6 | Confident | 60 Ų | 60 | 64 Ų | 64 | 50% | 0.496 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -99.2 | -0.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S98 H99 T103 | S98-A101 PolarHBondContact O-N 3Å; H99-A101 VanDerWaalsContact C-N 3.3Å; H99-A101 PolarHBondContact O-N 3.42Å; A101-T103 PolarHBondContact O-N 3.17Å; A101-T103 VanDerWaalsContact O-N 3.11Å |
| 102 | R | 79.6 | Confident | 80.3 | Confident | 23 Ų | 23 | 62.6 Ų | 62.6 | 9% | 0.087 | 36% | 0.363 | C | S | . | . | trans | -71.4 | 109.5 | -177.6 | -90 | -172.7 | -96.5 | -129.8 | -7 | 111.5 | D90 H99 I106 R175 Y191 C193 | D90-R102 IonicContact OD2-CZ 3.78Å; D90-R102 IonicContact OD2-NH1 3.08Å; D90-R102 PolarHBondContact OD2-NH1 2.84Å; D90-R102 IonicContact OD2-NH2 2.8Å; H99-R102 PolarHBondContact CD2-NH2 3.04Å; H99-R102 PolarHBondContact NE2-NH2 3.29Å; H99-R102 VanDerWaalsContact NE2-NH2 3.16Å; R102-I106 HydrophobicContact CG-CG2 4.5Å; R102-R175 VanDerWaalsContact O-CD 3.29Å; R102-R175 WeakPolarHBondContact O-CD 3.24Å; R102-R175 VanDerWaalsContact O-CZ 3.24Å; R102-R175 PolarHBondContact O-NE 3.23Å; R102-Y191 PolarHBondContact NE-O 3.02Å; R102-Y191 VanDerWaalsContact NE-O 3.17Å; R102-C193 VanDerWaalsContact CD-SG 3.55Å | ||
| 103 | T | 86 | Confident | 81.1 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 36% | 0.362 | 36% | 0.359 | S | S | . | . | trans | -86.4 | 161.9 | 172.6 | 66 | 0 | 0 | 0 | 0 | 111.1 | A101 S105 I106 C107 | A101-T103 PolarHBondContact O-N 3.17Å; A101-T103 VanDerWaalsContact O-N 3.11Å; T103-S105 PolarHBondContact O-N 3.15Å; T103-I106 HydrophobicContact CG2-CD1 4.47Å; T103-I106 PolarHBondContact O-N 3.35Å; T103-I106 VanDerWaalsContact O-N 3.16Å; T103-I106 WeakPolarHBondContact OG1-CD1 3.3Å; T103-I106 WeakPolarHBondContact OG1-CG1 3.37Å; T103-I106 PolarHBondContact OG1-N 2.94Å; T103-C107 PolarHBondContact O-N 3.31Å; T103-C107 VanDerWaalsContact O-N 3.16Å | ||
| 104 | W | 87.5 | Confident | 82 | Confident | 142 Ų | 142 | 60.2 Ų | 60.2 | 54% | 0.538 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -53.5 | -43.2 | 172.9 | 174 | 85 | 0 | 0 | 0 | 111.8 | I106 C107 A108 R175 | W104-I106 VanDerWaalsContact C-N 3.32Å; W104-I106 PolarHBondContact O-N 2.93Å; W104-C107 PolarHBondContact O-N 3.31Å; W104-C107 VanDerWaalsContact O-N 3.15Å; W104-A108 PolarHBondContact O-N 3.26Å; W104-R175 HydrophobicContact CB-CB 4.49Å |
| 105 | S | 91.4 | Very high | 82.6 | Confident | 74 Ų | 74 | 57.8 Ų | 57.8 | 52% | 0.517 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 179.7 | -47.5 | 0 | 0 | 0 | 0 | 113 | T103 L109 | T103-S105 PolarHBondContact O-N 3.15Å; S105-L109 VanDerWaalsContact O-CB 3.28Å; S105-L109 WeakPolarHBondContact O-CB 3.26Å; S105-L109 PolarHBondContact O-N 2.97Å |
| 106 | I | 90.8 | Very high | 83.5 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.7 | -44 | 176 | -68 | 166.8 | 0 | 0 | 0 | 109.8 | R102 T103 W104 L109 M110 | R102-I106 HydrophobicContact CG-CG2 4.5Å; T103-I106 HydrophobicContact CG2-CD1 4.47Å; T103-I106 PolarHBondContact O-N 3.35Å; T103-I106 VanDerWaalsContact O-N 3.16Å; T103-I106 WeakPolarHBondContact OG1-CD1 3.3Å; T103-I106 WeakPolarHBondContact OG1-CG1 3.37Å; T103-I106 PolarHBondContact OG1-N 2.94Å; W104-I106 VanDerWaalsContact C-N 3.32Å; W104-I106 PolarHBondContact O-N 2.93Å; I106-L109 PolarHBondContact O-N 3.18Å; I106-M110 HydrophobicContact CG2-CE 3.69Å; I106-M110 HydrophobicContact CG2-CG 4.41Å; I106-M110 HydrophobicContact CG2-SD 4.08Å; I106-M110 WeakPolarHBondContact O-CB 3.5Å; I106-M110 VanDerWaalsContact O-CG 3.31Å; I106-M110 WeakPolarHBondContact O-CG 3.49Å; I106-M110 PolarHBondContact O-N 3.36Å |
| 107 | C | 92.8 | Very high | 85.1 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 176.4 | -66.2 | 0 | 0 | 0 | 0 | 112.7 | T103 W104 L109 M110 A111 V173 C193 | T103-C107 PolarHBondContact O-N 3.31Å; T103-C107 VanDerWaalsContact O-N 3.16Å; W104-C107 PolarHBondContact O-N 3.31Å; W104-C107 VanDerWaalsContact O-N 3.15Å; C107-L109 PolarHBondContact O-N 3Å; C107-M110 PolarHBondContact O-N 2.97Å; C107-A111 WeakPolarHBondContact O-CB 3.42Å; C107-A111 PolarHBondContact O-N 2.84Å; C107-V173 HydrophobicContact CB-CG1 4.22Å; C107-C193 WeakPolarHBondContact CA-SG 3.25Å; C107-C193 HydrophobicContact CB-CB 3.61Å; C107-C193 WeakPolarHBondContact CB-SG 3.38Å; C107-C193 WeakPolarHBondContact SG-CA 3.42Å; C107-C193 WeakPolarHBondContact SG-CB 3.32Å; C107-C193 CovalentContact SG-SG 2.03Å; C107-C193 PolarHBondContact SG-SG 2.93Å |
| 108 | A | 94.9 | Very high | 86.8 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | W104 A111 F112 P170 | W104-A108 PolarHBondContact O-N 3.26Å; A108-A111 PolarHBondContact O-N 3.45Å; A108-F112 WeakPolarHBondContact O-CB 3.46Å; A108-F112 PolarHBondContact O-N 3.02Å; A108-P170 HydrophobicContact CB-CB 4.01Å; A108-P170 HydrophobicContact CB-CG 4.39Å; A108-P170 WeakPolarHBondContact O-CG 3.37Å |
| 109 | L | 95.2 | Very high | 88.7 | Confident | 115 Ų | 115 | 40.1 Ų | 40.1 | 60% | 0.602 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.9 | -44.1 | -179.7 | -179.1 | 62.4 | 0 | 0 | 0 | 112.3 | S105 I106 C107 F112 A113 | S105-L109 VanDerWaalsContact O-CB 3.28Å; S105-L109 WeakPolarHBondContact O-CB 3.26Å; S105-L109 PolarHBondContact O-N 2.97Å; I106-L109 PolarHBondContact O-N 3.18Å; C107-L109 PolarHBondContact O-N 3Å; L109-F112 PolarHBondContact O-N 3.45Å; L109-A113 VanDerWaalsContact O-CB 3.29Å; L109-A113 WeakPolarHBondContact O-CB 3.35Å; L109-A113 PolarHBondContact O-N 2.93Å |
| 110 | M | 94.2 | Very high | 90.6 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 22% | 0.217 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 177.1 | -71.6 | -174.3 | -55.4 | 0 | 0 | 111.1 | I87 I106 C107 F112 A113 E114 C193 | I87-M110 HydrophobicContact CD1-CB 4.15Å; I87-M110 WeakPolarHBondContact CD1-O 3.49Å; I106-M110 HydrophobicContact CG2-CE 3.69Å; I106-M110 HydrophobicContact CG2-CG 4.41Å; I106-M110 HydrophobicContact CG2-SD 4.08Å; I106-M110 WeakPolarHBondContact O-CB 3.5Å; I106-M110 VanDerWaalsContact O-CG 3.31Å; I106-M110 WeakPolarHBondContact O-CG 3.49Å; I106-M110 PolarHBondContact O-N 3.36Å; C107-M110 PolarHBondContact O-N 2.97Å; M110-F112 PolarHBondContact O-N 3.3Å; M110-A113 PolarHBondContact O-N 3.46Å; M110-E114 VanDerWaalsContact O-CB 3.3Å; M110-E114 WeakPolarHBondContact O-CB 3.17Å; M110-E114 PolarHBondContact O-N 3.24Å; M110-C193 HydrophobicContact CE-CB 4.24Å; M110-C193 WeakPolarHBondContact CE-SG 3.15Å |
| 111 | A | 95.1 | Very high | 92.5 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C107 A108 M115 V173 | C107-A111 WeakPolarHBondContact O-CB 3.42Å; C107-A111 PolarHBondContact O-N 2.84Å; A108-A111 PolarHBondContact O-N 3.45Å; A111-M115 WeakPolarHBondContact O-CB 3.38Å; A111-M115 VanDerWaalsContact O-CG 3.31Å; A111-M115 WeakPolarHBondContact O-CG 3.42Å; A111-M115 PolarHBondContact O-N 3.41Å; A111-M115 VanDerWaalsContact O-N 3.11Å; A111-V173 HydrophobicContact CB-CB 3.81Å; A111-V173 HydrophobicContact CB-CG1 4.13Å; A111-V173 HydrophobicContact CB-CG2 3.68Å |
| 112 | F | 97.4 | Very high | 94.1 | Very high | 64 Ų | 64 | 32.7 Ų | 32.7 | 28% | 0.281 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 174.9 | 174.1 | -101.1 | 0 | 0 | 0 | 111.6 | A108 L109 M110 S116 F163 G166 T167 P170 | A108-F112 WeakPolarHBondContact O-CB 3.46Å; A108-F112 PolarHBondContact O-N 3.02Å; L109-F112 PolarHBondContact O-N 3.45Å; M110-F112 PolarHBondContact O-N 3.3Å; F112-S116 WeakPolarHBondContact O-CB 3.28Å; F112-S116 PolarHBondContact O-N 3.44Å; F112-S116 PolarHBondContact O-OG 2.95Å; F112-F163 HydrophobicContact CZ-CB 4.4Å; F112-F163 HydrophobicContact CZ-CD1 4.05Å; F112-F163 HydrophobicContact CZ-CG 4.46Å; F112-G166 VanDerWaalsContact CD2-C 3.47Å; F112-G166 WeakPolarHBondContact CD2-O 3.31Å; F112-T167 HydrophobicContact CE2-CG2 4.21Å; F112-P170 HydrophobicContact CB-CG 3.76Å |
| 113 | A | 97.3 | Very high | 94.9 | Very high | 24 Ų | 24 | 33.2 Ų | 33.2 | 20% | 0.198 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.1 | -44.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I83 L109 M110 A117 | I83-A113 HydrophobicContact CG2-CB 3.74Å; L109-A113 VanDerWaalsContact O-CB 3.29Å; L109-A113 WeakPolarHBondContact O-CB 3.35Å; L109-A113 PolarHBondContact O-N 2.93Å; M110-A113 PolarHBondContact O-N 3.46Å; A113-A117 VanDerWaalsContact O-CB 3.25Å; A113-A117 WeakPolarHBondContact O-CB 3Å; A113-A117 PolarHBondContact O-N 3.48Å |
| 114 | E | 95.5 | Very high | 95.3 | Very high | 28 Ų | 28 | 30.4 Ų | 30.4 | 13% | 0.131 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -54.2 | 177.5 | -161.6 | -153.2 | 162.1 | 0 | 0 | 110.8 | I87 M110 S116 A117 Q118 R207 | I87-E114 HydrophobicContact CD1-CB 3.81Å; I87-E114 HydrophobicContact CD1-CG 4.27Å; M110-E114 VanDerWaalsContact O-CB 3.3Å; M110-E114 WeakPolarHBondContact O-CB 3.17Å; M110-E114 PolarHBondContact O-N 3.24Å; E114-S116 PolarHBondContact O-N 3.24Å; E114-A117 PolarHBondContact O-N 2.87Å; E114-Q118 VanDerWaalsContact O-CG 3.3Å; E114-Q118 WeakPolarHBondContact O-CG 3.38Å; E114-Q118 PolarHBondContact O-N 3.12Å; E114-Q118 VanDerWaalsContact O-N 3.12Å; E114-Q118 PolarHBondContact OE1-NE2 3.32Å; E114-R207 IonicContact OE1-NH2 2.98Å; E114-R207 PolarHBondContact OE1-NH2 2.96Å; E114-R207 IonicContact OE2-NH2 3.96Å; E114-R207 PolarHBondContact OE2-NH2 3.47Å |
| 115 | M | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | -178.9 | -72.8 | -69 | -73.1 | 0 | 0 | 112 | A111 A119 V165 L203 V206 R207 L211 | A111-M115 WeakPolarHBondContact O-CB 3.38Å; A111-M115 VanDerWaalsContact O-CG 3.31Å; A111-M115 WeakPolarHBondContact O-CG 3.42Å; A111-M115 PolarHBondContact O-N 3.41Å; A111-M115 VanDerWaalsContact O-N 3.11Å; M115-A119 WeakPolarHBondContact O-CB 3.47Å; M115-A119 PolarHBondContact O-N 2.8Å; M115-V165 HydrophobicContact CE-CG1 4.34Å; M115-L203 HydrophobicContact CE-CD1 4.25Å; M115-L203 HydrophobicContact SD-CD1 4.28Å; M115-V206 HydrophobicContact CE-CG1 4.38Å; M115-R207 HydrophobicContact CE-CG 4.02Å; M115-R207 HydrophobicContact SD-CG 3.82Å; M115-R207 PolarHBondContact SD-NE 2.96Å; M115-L211 HydrophobicContact CE-CD1 4.35Å; M115-L211 HydrophobicContact SD-CD1 4.27Å |
| 116 | S | 97.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 4% | 0.035 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 178.3 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | F112 E114 Q118 A119 V120 G166 | F112-S116 WeakPolarHBondContact O-CB 3.28Å; F112-S116 PolarHBondContact O-N 3.44Å; F112-S116 PolarHBondContact O-OG 2.95Å; E114-S116 PolarHBondContact O-N 3.24Å; S116-Q118 VanDerWaalsContact C-N 3.33Å; S116-Q118 PolarHBondContact O-N 3.32Å; S116-A119 PolarHBondContact O-N 3.38Å; S116-V120 WeakPolarHBondContact O-CB 3.42Å; S116-V120 VanDerWaalsContact O-CG2 3.3Å; S116-V120 WeakPolarHBondContact O-CG2 3.31Å; S116-V120 PolarHBondContact O-N 3Å; S116-G166 WeakPolarHBondContact OG-CA 3.26Å |
| 117 | A | 97.9 | Very high | 96 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 3% | 0.033 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I83 A113 E114 M121 | I83-A117 HydrophobicContact CB-CB 4.18Å; I83-A117 HydrophobicContact CD1-CB 4.1Å; I83-A117 HydrophobicContact CG2-CB 4.32Å; A113-A117 VanDerWaalsContact O-CB 3.25Å; A113-A117 WeakPolarHBondContact O-CB 3Å; A113-A117 PolarHBondContact O-N 3.48Å; E114-A117 PolarHBondContact O-N 2.87Å; A117-M121 WeakPolarHBondContact O-CB 3.38Å; A117-M121 PolarHBondContact O-N 3.22Å; A117-M121 VanDerWaalsContact O-N 3.16Å |
| 118 | Q | 97.2 | Very high | 95.9 | Very high | 10 Ų | 10 | 18.8 Ų | 18.8 | 5% | 0.047 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.1 | -49.6 | 173.9 | -65.7 | 177 | 29.6 | 0 | 0 | 111 | L80 E114 S116 V120 M121 V122 L211 W302 | L80-Q118 HydrophobicContact CD1-CB 4.41Å; L80-Q118 HydrophobicContact CD1-CG 3.71Å; E114-Q118 VanDerWaalsContact O-CG 3.3Å; E114-Q118 WeakPolarHBondContact O-CG 3.38Å; E114-Q118 PolarHBondContact O-N 3.12Å; E114-Q118 VanDerWaalsContact O-N 3.12Å; E114-Q118 PolarHBondContact OE1-NE2 3.32Å; S116-Q118 VanDerWaalsContact C-N 3.33Å; S116-Q118 PolarHBondContact O-N 3.32Å; Q118-V120 PolarHBondContact O-N 3.37Å; Q118-M121 PolarHBondContact O-N 3.39Å; Q118-V122 VanDerWaalsContact O-CG2 3.28Å; Q118-V122 WeakPolarHBondContact O-CG2 3.43Å; Q118-V122 PolarHBondContact O-N 3.2Å; Q118-L211 HydrophobicContact CB-CD1 3.99Å; Q118-W302 HydrophobicContact CB-CH2 3.79Å; Q118-W302 HydrophobicContact CB-CZ3 4.12Å; Q118-W302 HydrophobicContact CG-CH2 3.77Å; Q118-W302 HydrophobicContact CG-CZ3 4.18Å |
| 119 | A | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M115 S116 M121 V122 F123 A162 V165 L211 | M115-A119 WeakPolarHBondContact O-CB 3.47Å; M115-A119 PolarHBondContact O-N 2.8Å; S116-A119 PolarHBondContact O-N 3.38Å; A119-M121 VanDerWaalsContact C-N 3.29Å; A119-M121 PolarHBondContact O-N 3.49Å; A119-V122 PolarHBondContact O-N 2.85Å; A119-F123 HydrophobicContact CB-CE2 4.32Å; A119-F123 WeakPolarHBondContact O-CB 3.47Å; A119-F123 VanDerWaalsContact O-CG 3.22Å; A119-F123 WeakPolarHBondContact O-CG 3.27Å; A119-F123 PolarHBondContact O-N 2.93Å; A119-A162 HydrophobicContact CB-CB 3.62Å; A119-V165 HydrophobicContact CB-CB 4.39Å; A119-V165 HydrophobicContact CB-CG1 4.38Å; A119-L211 HydrophobicContact CB-CD2 3.74Å |
| 120 | V | 97.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.024 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.4 | -42.8 | 177.2 | 168.5 | 0 | 0 | 0 | 0 | 110.5 | A76 S116 Q118 G124 W159 A162 | A76-V120 HydrophobicContact CB-CG1 3.81Å; S116-V120 WeakPolarHBondContact O-CB 3.42Å; S116-V120 VanDerWaalsContact O-CG2 3.3Å; S116-V120 WeakPolarHBondContact O-CG2 3.31Å; S116-V120 PolarHBondContact O-N 3Å; Q118-V120 PolarHBondContact O-N 3.37Å; V120-G124 WeakPolarHBondContact O-CA 3.16Å; V120-G124 PolarHBondContact O-N 3.33Å; V120-W159 HydrophobicContact CG1-CD2 4.03Å; V120-W159 HydrophobicContact CG1-CE3 4.4Å; V120-W159 HydrophobicContact CG1-CH2 3.88Å; V120-W159 HydrophobicContact CG1-CZ2 3.46Å; V120-W159 VanDerWaalsContact CG1-CZ2 3.46Å; V120-W159 HydrophobicContact CG1-CZ3 4.34Å; V120-W159 HydrophobicContact CG2-CD2 4.04Å; V120-W159 HydrophobicContact CG2-CE3 3.92Å; V120-W159 HydrophobicContact CG2-CZ3 4.17Å; V120-A162 HydrophobicContact CB-CB 4.21Å; V120-A162 HydrophobicContact CG2-CB 3.45Å; V120-A162 VanDerWaalsContact CG2-CB 3.45Å |
| 121 | M | 96.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.4 | -53.3 | 177.6 | -171.6 | -136.7 | 60.8 | 0 | 0 | 111.6 | A76 D77 L80 A117 Q118 A119 G124 Q125 F298 W302 Y345 | A76-M121 HydrophobicContact CB-CB 4.16Å; A76-M121 HydrophobicContact CB-CG 4.47Å; D77-M121 VanDerWaalsContact OD1-CG 3.23Å; D77-M121 WeakPolarHBondContact OD1-CG 3.02Å; L80-M121 HydrophobicContact CD2-CG 4.36Å; L80-M121 HydrophobicContact CD2-SD 3.37Å; L80-M121 WeakPolarHBondContact CD2-SD 3.14Å; A117-M121 WeakPolarHBondContact O-CB 3.38Å; A117-M121 PolarHBondContact O-N 3.22Å; A117-M121 VanDerWaalsContact O-N 3.16Å; Q118-M121 PolarHBondContact O-N 3.39Å; A119-M121 VanDerWaalsContact C-N 3.29Å; A119-M121 PolarHBondContact O-N 3.49Å; M121-G124 PolarHBondContact O-N 2.96Å; M121-Q125 WeakPolarHBondContact O-CG 3.11Å; M121-Q125 PolarHBondContact O-N 3.45Å; M121-Q125 VanDerWaalsContact O-N 3.1Å; M121-F298 HydrophobicContact CE-CE2 4.17Å; M121-W302 VanDerWaalsContact CE-CE2 3.5Å; M121-W302 HydrophobicContact CE-CH2 3.76Å; M121-W302 HydrophobicContact CE-CZ2 3.07Å; M121-W302 HydrophobicContact SD-CZ2 3.65Å; M121-Y345 HydrophobicContact CE-CD1 4.31Å; M121-Y345 HydrophobicContact CE-CE1 3.89Å; M121-Y345 HydrophobicContact CG-CE1 4.44Å; M121-Y345 HydrophobicContact SD-CD1 3.39Å; M121-Y345 WeakPolarHBondContact SD-CD1 3.35Å; M121-Y345 HydrophobicContact SD-CE1 3.21Å; M121-Y345 WeakPolarHBondContact SD-CE1 3.39Å |
| 122 | V | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.5 | -47.8 | -177 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | Q118 A119 G124 Q125 A126 L211 P215 F298 W302 | Q118-V122 VanDerWaalsContact O-CG2 3.28Å; Q118-V122 WeakPolarHBondContact O-CG2 3.43Å; Q118-V122 PolarHBondContact O-N 3.2Å; A119-V122 PolarHBondContact O-N 2.85Å; V122-G124 VanDerWaalsContact C-N 3.34Å; V122-G124 PolarHBondContact O-N 3.47Å; V122-Q125 PolarHBondContact O-N 3.43Å; V122-A126 PolarHBondContact O-N 2.91Å; V122-L211 HydrophobicContact CG2-CB 4.48Å; V122-L211 WeakPolarHBondContact CG2-O 3.29Å; V122-P215 HydrophobicContact CG1-CB 3.23Å; V122-P215 HydrophobicContact CG1-CG 3.36Å; V122-F298 HydrophobicContact CG1-CE2 4.14Å; V122-F298 HydrophobicContact CG1-CZ 3.85Å; V122-F298 HydrophobicContact CG2-CE2 4.02Å; V122-F298 HydrophobicContact CG2-CZ 4.15Å; V122-W302 HydrophobicContact CG2-CE3 4.48Å; V122-W302 HydrophobicContact CG2-CH2 4.09Å; V122-W302 HydrophobicContact CG2-CZ2 4.43Å; V122-W302 HydrophobicContact CG2-CZ3 4.13Å |
| 123 | F | 96.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 17.1 Ų | 17.1 | 15% | 0.145 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 179.5 | -65.9 | -8.2 | 0 | 0 | 0 | 111.1 | A119 Q125 A126 C127 C158 A161 A162 V165 F210 P215 | A119-F123 HydrophobicContact CB-CE2 4.32Å; A119-F123 WeakPolarHBondContact O-CB 3.47Å; A119-F123 VanDerWaalsContact O-CG 3.22Å; A119-F123 WeakPolarHBondContact O-CG 3.27Å; A119-F123 PolarHBondContact O-N 2.93Å; F123-Q125 VanDerWaalsContact C-N 3.27Å; F123-Q125 PolarHBondContact O-N 2.87Å; F123-A126 PolarHBondContact O-N 3.34Å; F123-C127 WeakPolarHBondContact O-CB 3.5Å; F123-C127 PolarHBondContact O-N 2.96Å; F123-C158 HydrophobicContact CB-CB 4.43Å; F123-C158 PolarHBondContact O-SG 2.88Å; F123-A161 HydrophobicContact CD2-CB 4.22Å; F123-A161 HydrophobicContact CE2-CB 4.06Å; F123-A162 HydrophobicContact CD2-CB 3.95Å; F123-A162 HydrophobicContact CE2-CB 4.36Å; F123-V165 HydrophobicContact CE2-CG2 4.2Å; F123-V165 HydrophobicContact CZ-CG2 4.11Å; F123-F210 WeakPolarHBondContact CE1-O 3.17Å; F123-P215 HydrophobicContact CD1-CG 4.27Å; F123-P215 HydrophobicContact CE1-CG 4.15Å |
| 124 | G | 95 | Very high | 94.8 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -56.5 | -39 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N72 V120 M121 V122 A128 | N72-G124 WeakPolarHBondContact ND2-CA 3.35Å; V120-G124 WeakPolarHBondContact O-CA 3.16Å; V120-G124 PolarHBondContact O-N 3.33Å; M121-G124 PolarHBondContact O-N 2.96Å; V122-G124 VanDerWaalsContact C-N 3.34Å; V122-G124 PolarHBondContact O-N 3.47Å; G124-A128 WeakPolarHBondContact O-CB 3.43Å; G124-A128 PolarHBondContact O-N 3.27Å |
| 125 | Q | 94 | Very high | 94.4 | Very high | 8 Ų | 8 | 18.7 Ų | 18.7 | 4% | 0.037 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -73.6 | -40.7 | 176.8 | -67.9 | -163.2 | 10.4 | 0 | 0 | 113.4 | M121 V122 F123 C127 A128 S129 M219 Y345 | M121-Q125 WeakPolarHBondContact O-CG 3.11Å; M121-Q125 PolarHBondContact O-N 3.45Å; M121-Q125 VanDerWaalsContact O-N 3.1Å; V122-Q125 PolarHBondContact O-N 3.43Å; F123-Q125 VanDerWaalsContact C-N 3.27Å; F123-Q125 PolarHBondContact O-N 2.87Å; Q125-C127 VanDerWaalsContact C-N 3.35Å; Q125-A128 PolarHBondContact O-N 3.01Å; Q125-S129 PolarHBondContact O-N 3.47Å; Q125-M219 HydrophobicContact CB-CE 4Å; Q125-M219 HydrophobicContact CB-SD 4.07Å; Q125-Y345 PolarHBondContact NE2-OH 2.78Å; Q125-Y345 PolarHBondContact OE1-OH 3.18Å |
| 126 | A | 95.6 | Very high | 94 | Very high | 13 Ų | 13 | 21 Ų | 21 | 11% | 0.107 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.8 | -47.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V122 F123 A128 S129 F130 P215 M219 | V122-A126 PolarHBondContact O-N 2.91Å; F123-A126 PolarHBondContact O-N 3.34Å; A126-A128 VanDerWaalsContact C-N 3.32Å; A126-A128 PolarHBondContact O-N 3.48Å; A126-S129 PolarHBondContact O-N 2.9Å; A126-S129 VanDerWaalsContact O-N 3.08Å; A126-S129 PolarHBondContact O-OG 3.39Å; A126-F130 PolarHBondContact O-N 3.29Å; A126-P215 HydrophobicContact CB-CB 4.46Å; A126-M219 HydrophobicContact CB-CG 4.32Å |
| 127 | C | 93.9 | Very high | 93.7 | Very high | 17 Ų | 17 | 21.9 Ų | 21.9 | 12% | 0.115 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -55.2 | -43.2 | 174 | -93.9 | 0 | 0 | 0 | 0 | 111.4 | F69 F123 Q125 F130 E131 I154 C158 | F69-C127 HydrophobicContact CD1-CB 4.39Å; F69-C127 HydrophobicContact CE1-CB 3.92Å; F123-C127 WeakPolarHBondContact O-CB 3.5Å; F123-C127 PolarHBondContact O-N 2.96Å; Q125-C127 VanDerWaalsContact C-N 3.35Å; C127-F130 PolarHBondContact O-N 3.39Å; C127-E131 PolarHBondContact O-N 3.34Å; C127-E131 VanDerWaalsContact O-N 3.11Å; C127-I154 HydrophobicContact CB-CG2 4.28Å; C127-I154 WeakPolarHBondContact SG-CG2 3.23Å; C127-C158 WeakPolarHBondContact CB-SG 3.42Å; C127-C158 WeakPolarHBondContact SG-CB 3.21Å; C127-C158 CovalentContact SG-SG 2.1Å; C127-C158 PolarHBondContact SG-SG 3.47Å |
| 128 | A | 91.9 | Very high | 93.4 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 5% | 0.05 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.5 | -31.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F69 I73 G124 Q125 A126 F130 E131 R132 | F69-A128 HydrophobicContact CB-CB 4.24Å; F69-A128 HydrophobicContact CD1-CB 4.31Å; I73-A128 HydrophobicContact CD1-CB 3.6Å; I73-A128 HydrophobicContact CG1-CB 4.34Å; G124-A128 WeakPolarHBondContact O-CB 3.43Å; G124-A128 PolarHBondContact O-N 3.27Å; Q125-A128 PolarHBondContact O-N 3.01Å; A126-A128 VanDerWaalsContact C-N 3.32Å; A126-A128 PolarHBondContact O-N 3.48Å; A128-F130 VanDerWaalsContact C-N 3.31Å; A128-E131 WeakPolarHBondContact O-CB 3.39Å; A128-E131 PolarHBondContact O-N 2.65Å; A128-R132 WeakPolarHBondContact O-CG 3.27Å; A128-R132 PolarHBondContact O-N 3.38Å |
| 129 | S | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.5 | -36 | 174.3 | 74.3 | 0 | 0 | 0 | 0 | 112.1 | Q125 A126 R132 F133 F222 Y223 | Q125-S129 PolarHBondContact O-N 3.47Å; A126-S129 PolarHBondContact O-N 2.9Å; A126-S129 VanDerWaalsContact O-N 3.08Å; A126-S129 PolarHBondContact O-OG 3.39Å; S129-R132 PolarHBondContact O-N 3.43Å; S129-F133 PolarHBondContact O-N 3.3Å; S129-F222 WeakPolarHBondContact OG-CD2 3.36Å; S129-Y223 VanDerWaalsContact CB-CE1 3.45Å |
| 130 | F | 93 | Very high | 92.4 | Very high | 69 Ų | 69 | 36.1 Ų | 36.1 | 30% | 0.303 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.5 | -40.9 | 173.5 | -178.7 | -118 | 0 | 0 | 0 | 112.6 | A126 C127 A128 R132 F133 L134 W146 F222 | A126-F130 PolarHBondContact O-N 3.29Å; C127-F130 PolarHBondContact O-N 3.39Å; A128-F130 VanDerWaalsContact C-N 3.31Å; F130-R132 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 2.99Å; F130-F133 HydrophobicContact CD2-CD1 4.26Å; F130-F133 HydrophobicContact CE2-CD1 4.32Å; F130-F133 WeakPolarHBondContact O-CB 3.32Å; F130-F133 PolarHBondContact O-N 2.97Å; F130-L134 HydrophobicContact CD1-CD1 4.04Å; F130-L134 HydrophobicContact CD2-CG 4.43Å; F130-L134 HydrophobicContact CE1-CD1 3.45Å; F130-L134 VanDerWaalsContact CE1-CD1 3.45Å; F130-L134 HydrophobicContact CE1-CG 4.27Å; F130-L134 HydrophobicContact CE2-CD1 4.04Å; F130-L134 HydrophobicContact CE2-CD2 4.25Å; F130-L134 HydrophobicContact CE2-CG 4Å; F130-L134 HydrophobicContact CZ-CD1 3.45Å; F130-L134 VanDerWaalsContact CZ-CD1 3.45Å; F130-L134 HydrophobicContact CZ-CD2 4.22Å; F130-L134 HydrophobicContact CZ-CG 3.92Å; F130-L134 PolarHBondContact O-N 3.08Å; F130-W146 HydrophobicContact CD1-CZ3 4.49Å; F130-W146 HydrophobicContact CE1-CZ3 4.44Å; F130-F222 HydrophobicContact CB-CD2 4.12Å; F130-F222 HydrophobicContact CB-CE2 3.92Å; F130-F222 HydrophobicContact CB-CZ 4.33Å; F130-F222 HydrophobicContact CD2-CD1 4.25Å; F130-F222 AromaticContact CD2-CE1 3.69Å; F130-F222 HydrophobicContact CD2-CE1 3.69Å; F130-F222 HydrophobicContact CD2-CE2 4.03Å; F130-F222 AromaticContact CD2-CZ 3.56Å; F130-F222 HydrophobicContact CD2-CZ 3.56Å; F130-F222 HydrophobicContact CE2-CE1 4.28Å; F130-F222 HydrophobicContact CE2-CZ 4.29Å; F130-F222 HydrophobicContact CG-CE2 4.38Å; F130-F222 HydrophobicContact CG-CZ 4.31Å |
| 131 | E | 90.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54 | -51.1 | 171.7 | -179.2 | -92.1 | 172.9 | 0 | 0 | 111.3 | F69 C127 A128 F133 L134 V135 W146 | F69-E131 HydrophobicContact CD2-CB 4.27Å; F69-E131 HydrophobicContact CD2-CG 4.09Å; F69-E131 HydrophobicContact CE2-CB 4.45Å; F69-E131 HydrophobicContact CE2-CG 4.41Å; C127-E131 PolarHBondContact O-N 3.34Å; C127-E131 VanDerWaalsContact O-N 3.11Å; A128-E131 WeakPolarHBondContact O-CB 3.39Å; A128-E131 PolarHBondContact O-N 2.65Å; E131-F133 VanDerWaalsContact C-N 3.28Å; E131-F133 PolarHBondContact O-N 3.1Å; E131-L134 PolarHBondContact O-N 2.95Å; E131-V135 HydrophobicContact CG-CG2 4.35Å; E131-V135 WeakPolarHBondContact O-CB 3.39Å; E131-V135 WeakPolarHBondContact O-CG2 3.47Å; E131-V135 PolarHBondContact O-N 3.07Å; E131-W146 HydrophobicContact CB-CH2 3.68Å; E131-W146 HydrophobicContact CB-CZ2 3.35Å; E131-W146 HydrophobicContact CG-CH2 3.96Å; E131-W146 HydrophobicContact CG-CZ2 3.14Å |
| 132 | R | 89.7 | Confident | 91.3 | Very high | 95 Ų | 95 | 41 Ų | 41 | 36% | 0.358 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.7 | -40.1 | -179.6 | -68 | -66.2 | -179.9 | -132.6 | 4.3 | 111.6 | A128 S129 F130 I136 Y223 | A128-R132 WeakPolarHBondContact O-CG 3.27Å; A128-R132 PolarHBondContact O-N 3.38Å; S129-R132 PolarHBondContact O-N 3.43Å; F130-R132 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 2.99Å; R132-I136 HydrophobicContact CB-CD1 4.45Å; R132-I136 VanDerWaalsContact O-CB 3.26Å; R132-I136 WeakPolarHBondContact O-CB 3.24Å; R132-I136 VanDerWaalsContact O-CG1 3.31Å; R132-I136 WeakPolarHBondContact O-CG1 3.34Å; R132-I136 PolarHBondContact O-N 3.47Å; R132-Y223 HydrophobicContact CB-CE1 3.96Å; R132-Y223 HydrophobicContact CG-CE1 4.08Å |
| 133 | F | 92.5 | Very high | 90.7 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 17% | 0.167 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.2 | -54.1 | 174.3 | 169.1 | -98.5 | 0 | 0 | 0 | 111.4 | S129 F130 E131 V135 I136 V137 L138 F222 T225 V226 | S129-F133 PolarHBondContact O-N 3.3Å; F130-F133 HydrophobicContact CD2-CD1 4.26Å; F130-F133 HydrophobicContact CE2-CD1 4.32Å; F130-F133 WeakPolarHBondContact O-CB 3.32Å; F130-F133 PolarHBondContact O-N 2.97Å; E131-F133 VanDerWaalsContact C-N 3.28Å; E131-F133 PolarHBondContact O-N 3.1Å; F133-V135 PolarHBondContact O-N 3.43Å; F133-I136 PolarHBondContact O-N 2.83Å; F133-V137 HydrophobicContact CD2-CB 4.13Å; F133-V137 HydrophobicContact CD2-CG2 3.72Å; F133-V137 HydrophobicContact CE2-CB 4.02Å; F133-V137 HydrophobicContact CE2-CG1 4.03Å; F133-V137 HydrophobicContact CE2-CG2 3.96Å; F133-V137 HydrophobicContact CZ-CG1 4.48Å; F133-V137 WeakPolarHBondContact O-CA 3.36Å; F133-V137 WeakPolarHBondContact O-CB 3.39Å; F133-V137 WeakPolarHBondContact O-CG2 3.26Å; F133-V137 PolarHBondContact O-N 3.39Å; F133-L138 HydrophobicContact CE1-CD1 4.04Å; F133-L138 HydrophobicContact CZ-CD1 4.24Å; F133-F222 HydrophobicContact CB-CB 4.04Å; F133-F222 HydrophobicContact CB-CD1 4.04Å; F133-F222 HydrophobicContact CB-CG 4.28Å; F133-F222 HydrophobicContact CD1-CD1 4.13Å; F133-F222 HydrophobicContact CD1-CE1 4.43Å; F133-F222 HydrophobicContact CD2-CD1 4.32Å; F133-F222 AromaticContact CG-CD1 3.89Å; F133-F222 HydrophobicContact CG-CD1 3.89Å; F133-T225 HydrophobicContact CD2-CG2 4.21Å; F133-T225 HydrophobicContact CE2-CG2 3.79Å; F133-V226 HydrophobicContact CB-CG2 4.14Å |
| 134 | L | 90.8 | Very high | 90.1 | Very high | 29 Ų | 29 | 57.1 Ų | 57.1 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.8 | -48 | -178.5 | -72.5 | 176.7 | 0 | 0 | 0 | 112.1 | F130 E131 I136 L138 W146 | F130-L134 HydrophobicContact CD1-CD1 4.04Å; F130-L134 HydrophobicContact CD2-CG 4.43Å; F130-L134 HydrophobicContact CE1-CD1 3.45Å; F130-L134 VanDerWaalsContact CE1-CD1 3.45Å; F130-L134 HydrophobicContact CE1-CG 4.27Å; F130-L134 HydrophobicContact CE2-CD1 4.04Å; F130-L134 HydrophobicContact CE2-CD2 4.25Å; F130-L134 HydrophobicContact CE2-CG 4Å; F130-L134 HydrophobicContact CZ-CD1 3.45Å; F130-L134 VanDerWaalsContact CZ-CD1 3.45Å; F130-L134 HydrophobicContact CZ-CD2 4.22Å; F130-L134 HydrophobicContact CZ-CG 3.92Å; F130-L134 PolarHBondContact O-N 3.08Å; E131-L134 PolarHBondContact O-N 2.95Å; L134-I136 PolarHBondContact O-N 3.43Å; L134-L138 HydrophobicContact CD2-CD1 4.09Å; L134-L138 CarbonylContact O-C 3.6Å; L134-L138 WeakPolarHBondContact O-CA 3.31Å; L134-L138 PolarHBondContact O-N 3.39Å; L134-W146 HydrophobicContact CD1-CE3 3.69Å; L134-W146 HydrophobicContact CD1-CH2 4.42Å; L134-W146 HydrophobicContact CD1-CZ3 3.38Å |
| 135 | V | 87.4 | Confident | 89.5 | Confident | 55 Ų | 55 | 61.5 Ų | 61.5 | 33% | 0.333 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | -176.4 | 171.8 | 0 | 0 | 0 | 0 | 112.1 | E131 F133 A142 | E131-V135 HydrophobicContact CG-CG2 4.35Å; E131-V135 WeakPolarHBondContact O-CB 3.39Å; E131-V135 WeakPolarHBondContact O-CG2 3.47Å; E131-V135 PolarHBondContact O-N 3.07Å; F133-V135 PolarHBondContact O-N 3.43Å; V135-A142 HydrophobicContact CG2-CB 4.23Å |
| 136 | I | 88.2 | Confident | 89.1 | Confident | 50 Ų | 50 | 62.8 Ų | 62.8 | 26% | 0.256 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -90.1 | -39.4 | -173.2 | -62.1 | 170.6 | 0 | 0 | 0 | 111.8 | R132 F133 L134 V226 L230 | R132-I136 HydrophobicContact CB-CD1 4.45Å; R132-I136 VanDerWaalsContact O-CB 3.26Å; R132-I136 WeakPolarHBondContact O-CB 3.24Å; R132-I136 VanDerWaalsContact O-CG1 3.31Å; R132-I136 WeakPolarHBondContact O-CG1 3.34Å; R132-I136 PolarHBondContact O-N 3.47Å; F133-I136 PolarHBondContact O-N 2.83Å; L134-I136 PolarHBondContact O-N 3.43Å; I136-V226 HydrophobicContact CB-CG1 4.43Å; I136-V226 HydrophobicContact CD1-CG1 3.68Å; I136-V226 HydrophobicContact CG2-CG1 4.25Å; I136-L230 HydrophobicContact CG2-CD1 4.45Å; I136-L230 HydrophobicContact CG2-CD2 3.71Å; I136-L230 HydrophobicContact CG2-CG 3.93Å |
| 137 | V | 91.2 | Very high | 88.7 | Confident | 22 Ų | 22 | 64 Ų | 64 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -87.6 | -37.4 | -174.5 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | F133 P139 T225 V226 R229 | F133-V137 HydrophobicContact CD2-CB 4.13Å; F133-V137 HydrophobicContact CD2-CG2 3.72Å; F133-V137 HydrophobicContact CE2-CB 4.02Å; F133-V137 HydrophobicContact CE2-CG1 4.03Å; F133-V137 HydrophobicContact CE2-CG2 3.96Å; F133-V137 HydrophobicContact CZ-CG1 4.48Å; F133-V137 WeakPolarHBondContact O-CA 3.36Å; F133-V137 WeakPolarHBondContact O-CB 3.39Å; F133-V137 WeakPolarHBondContact O-CG2 3.26Å; F133-V137 PolarHBondContact O-N 3.39Å; V137-P139 VanDerWaalsContact C-CD 3.41Å; V137-P139 VanDerWaalsContact O-CD 3.31Å; V137-P139 WeakPolarHBondContact O-CD 3.45Å; V137-T225 HydrophobicContact CG2-CG2 4.29Å; V137-V226 HydrophobicContact CG2-CG2 4.18Å; V137-R229 HydrophobicContact CG2-CB 4.3Å; V137-R229 HydrophobicContact CG2-CG 4.42Å |
| 138 | L | 90.9 | Very high | 88.2 | Confident | 59 Ų | 59 | 69.8 Ų | 69.8 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | trans | -124 | 60.1 | -172.3 | -56.3 | 174.2 | 0 | 0 | 0 | 111.5 | F133 L134 F140 Q141 A142 | F133-L138 HydrophobicContact CE1-CD1 4.04Å; F133-L138 HydrophobicContact CZ-CD1 4.24Å; L134-L138 HydrophobicContact CD2-CD1 4.09Å; L134-L138 CarbonylContact O-C 3.6Å; L134-L138 WeakPolarHBondContact O-CA 3.31Å; L134-L138 PolarHBondContact O-N 3.39Å; L138-F140 VanDerWaalsContact C-N 3.33Å; L138-F140 PolarHBondContact O-N 3.35Å; L138-Q141 HydrophobicContact CB-CB 4.17Å; L138-Q141 VanDerWaalsContact CD1-OE1 3.23Å; L138-Q141 PolarHBondContact O-N 3.43Å; L138-A142 PolarHBondContact O-N 3.06Å | ||
| 139 | P | 86.2 | Confident | 88.1 | Confident | 70 Ų | 70 | 75.8 Ų | 75.8 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.5 | -35.8 | -168.2 | 24.4 | -35.5 | 0 | 0 | 0 | 114.1 | V137 A142 H143 | V137-P139 VanDerWaalsContact C-CD 3.41Å; V137-P139 VanDerWaalsContact O-CD 3.31Å; V137-P139 WeakPolarHBondContact O-CD 3.45Å; P139-A142 PolarHBondContact O-N 3.46Å; P139-H143 WeakPolarHBondContact O-CB 3.37Å; P139-H143 PolarHBondContact O-N 2.92Å |
| 140 | F | 87.2 | Confident | 87.9 | Confident | 184 Ų | 184 | 78.5 Ų | 78.5 | 81% | 0.807 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -68.4 | -39.8 | 177.4 | -64.8 | -66.2 | 0 | 0 | 0 | 112.4 | L138 H143 R144 | L138-F140 VanDerWaalsContact C-N 3.33Å; L138-F140 PolarHBondContact O-N 3.35Å; F140-H143 PolarHBondContact O-N 3.41Å; F140-R144 PolarHBondContact O-N 3.31Å |
| 141 | Q | 88.1 | Confident | 87.8 | Confident | 97 Ų | 97 | 75.2 Ų | 75.2 | 45% | 0.453 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.5 | -42.9 | 175.4 | -68.4 | -177.8 | -15.6 | 0 | 0 | 110.5 | L138 H143 R144 L145 | L138-Q141 HydrophobicContact CB-CB 4.17Å; L138-Q141 VanDerWaalsContact CD1-OE1 3.23Å; L138-Q141 PolarHBondContact O-N 3.43Å; Q141-H143 VanDerWaalsContact C-N 3.29Å; Q141-H143 PolarHBondContact O-N 2.79Å; Q141-R144 PolarHBondContact O-N 3.09Å; Q141-R144 VanDerWaalsContact O-N 3.12Å; Q141-L145 HydrophobicContact CB-CD1 4.28Å; Q141-L145 VanDerWaalsContact O-CB 3.3Å; Q141-L145 WeakPolarHBondContact O-CB 3.33Å; Q141-L145 WeakPolarHBondContact O-CG 3.29Å; Q141-L145 PolarHBondContact O-N 3.09Å |
| 142 | A | 84.7 | Confident | 87.8 | Confident | 11 Ų | 11 | 76.5 Ų | 76.5 | 9% | 0.091 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V135 L138 P139 R144 W146 | V135-A142 HydrophobicContact CG2-CB 4.23Å; L138-A142 PolarHBondContact O-N 3.06Å; P139-A142 PolarHBondContact O-N 3.46Å; A142-R144 VanDerWaalsContact C-N 3.27Å; A142-R144 PolarHBondContact O-N 3.37Å; A142-W146 HydrophobicContact CB-CB 4.48Å; A142-W146 WeakPolarHBondContact O-CA 3.38Å; A142-W146 WeakPolarHBondContact O-CB 3.27Å; A142-W146 PolarHBondContact O-N 2.79Å |
| 143 | H | 83.3 | Confident | 88 | Confident | 172 Ų | 172 | 73.3 Ų | 73.3 | 80% | 0.796 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.7 | -36.4 | 176.7 | -171.5 | 62.7 | 0 | 0 | 0 | 113 | P139 F140 Q141 | P139-H143 WeakPolarHBondContact O-CB 3.37Å; P139-H143 PolarHBondContact O-N 2.92Å; F140-H143 PolarHBondContact O-N 3.41Å; Q141-H143 VanDerWaalsContact C-N 3.29Å; Q141-H143 PolarHBondContact O-N 2.79Å |
| 144 | R | 84.6 | Confident | 88.1 | Confident | 200 Ų | 200 | 73.5 Ų | 73.5 | 76% | 0.755 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -82.8 | -41.6 | -179.9 | -166.4 | 177.2 | 83.8 | -168.9 | 7.3 | 113.4 | F140 Q141 A142 | F140-R144 PolarHBondContact O-N 3.31Å; Q141-R144 PolarHBondContact O-N 3.09Å; Q141-R144 VanDerWaalsContact O-N 3.12Å; A142-R144 VanDerWaalsContact C-N 3.27Å; A142-R144 PolarHBondContact O-N 3.37Å |
| 145 | L | 83.1 | Confident | 88.3 | Confident | 93 Ų | 93 | 73.3 Ų | 73.3 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -98.5 | -25.6 | -167.8 | -60.1 | 175.7 | 0 | 0 | 0 | 113 | Q141 T147 T150 | Q141-L145 HydrophobicContact CB-CD1 4.28Å; Q141-L145 VanDerWaalsContact O-CB 3.3Å; Q141-L145 WeakPolarHBondContact O-CB 3.33Å; Q141-L145 WeakPolarHBondContact O-CG 3.29Å; Q141-L145 PolarHBondContact O-N 3.09Å; L145-T147 PolarHBondContact O-N 3.45Å; L145-T150 PolarHBondContact O-OG1 3.23Å |
| 146 | W | 85 | Confident | 88.7 | Confident | 34 Ų | 34 | 75.7 Ų | 75.7 | 13% | 0.129 | 38% | 0.376 | C | S | . | . | trans | -91.1 | 88.7 | -172.2 | -153.6 | -93 | 0 | 0 | 0 | 111.7 | F69 F130 E131 L134 A142 S151 I154 | F69-W146 HydrophobicContact CD2-CZ2 4Å; F69-W146 HydrophobicContact CE2-CH2 4.01Å; F69-W146 AromaticContact CE2-CZ2 3.26Å; F69-W146 HydrophobicContact CE2-CZ2 3.26Å; F69-W146 HydrophobicContact CZ-CH2 4.05Å; F69-W146 AromaticContact CZ-CZ2 3.77Å; F69-W146 HydrophobicContact CZ-CZ2 3.77Å; F130-W146 HydrophobicContact CD1-CZ3 4.49Å; F130-W146 HydrophobicContact CE1-CZ3 4.44Å; E131-W146 HydrophobicContact CB-CH2 3.68Å; E131-W146 HydrophobicContact CB-CZ2 3.35Å; E131-W146 HydrophobicContact CG-CH2 3.96Å; E131-W146 HydrophobicContact CG-CZ2 3.14Å; L134-W146 HydrophobicContact CD1-CE3 3.69Å; L134-W146 HydrophobicContact CD1-CH2 4.42Å; L134-W146 HydrophobicContact CD1-CZ3 3.38Å; A142-W146 HydrophobicContact CB-CB 4.48Å; A142-W146 WeakPolarHBondContact O-CA 3.38Å; A142-W146 WeakPolarHBondContact O-CB 3.27Å; A142-W146 PolarHBondContact O-N 2.79Å; W146-S151 PolarHBondContact NE1-OG 3.2Å; W146-I154 HydrophobicContact CH2-CD1 3.85Å; W146-I154 HydrophobicContact CZ3-CD1 3.83Å | ||
| 147 | T | 87 | Confident | 89.2 | Confident | 39 Ų | 39 | 78.9 Ų | 78.9 | 24% | 0.239 | 39% | 0.393 | C | S | . | . | trans | -104.3 | 176.5 | 176.4 | 77.4 | 0 | 0 | 0 | 0 | 111.7 | L145 E149 T150 S151 | L145-T147 PolarHBondContact O-N 3.45Å; T147-E149 VanDerWaalsContact C-N 3.33Å; T147-E149 WeakPolarHBondContact CB-OE2 3.25Å; T147-E149 PolarHBondContact OG1-N 3.04Å; T147-E149 PolarHBondContact OG1-OE2 3.2Å; T147-T150 WeakPolarHBondContact CA-OG1 3.21Å; T147-T150 PolarHBondContact N-OG1 2.71Å; T147-T150 PolarHBondContact O-OG1 3.01Å; T147-T150 PolarHBondContact OG1-N 2.67Å; T147-T150 VanDerWaalsContact OG1-N 3.17Å; T147-T150 PolarHBondContact OG1-OG1 2.67Å; T147-S151 WeakPolarHBondContact O-CB 3.19Å; T147-S151 PolarHBondContact O-N 3.01Å; T147-S151 VanDerWaalsContact O-N 3.14Å; T147-S151 PolarHBondContact O-OG 3.06Å | ||
| 148 | R | 84.7 | Confident | 89.4 | Confident | 139 Ų | 139 | 78.6 Ų | 78.6 | 53% | 0.525 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.2 | -36.5 | 178.6 | -170.8 | -179.3 | 169.8 | 149.3 | -3.5 | 110.3 | K65 L68 S151 G152 | K65-R148 HydrophobicContact CB-CB 4.47Å; K65-R148 HydrophobicContact CD-CB 4.16Å; K65-R148 HydrophobicContact CG-CB 4.02Å; L68-R148 HydrophobicContact CD1-CG 3.71Å; R148-S151 PolarHBondContact O-N 3.08Å; R148-G152 PolarHBondContact O-N 2.85Å |
| 149 | E | 88.6 | Confident | 89.8 | Confident | 132 Ų | 132 | 78.1 Ų | 78.1 | 62% | 0.617 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -69.5 | -44.2 | -178.7 | -56.2 | 69.5 | -147.5 | 0 | 0 | 110 | T147 G152 G153 | T147-E149 VanDerWaalsContact C-N 3.33Å; T147-E149 WeakPolarHBondContact CB-OE2 3.25Å; T147-E149 PolarHBondContact OG1-N 3.04Å; T147-E149 PolarHBondContact OG1-OE2 3.2Å; E149-G152 PolarHBondContact O-N 3.23Å; E149-G153 PolarHBondContact O-N 3.43Å |
| 150 | T | 89.4 | Confident | 90.3 | Very high | 56 Ų | 56 | 79.8 Ų | 79.8 | 34% | 0.344 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 174 | 46.9 | 0 | 0 | 0 | 0 | 111.6 | L145 T147 G152 G153 I154 | L145-T150 PolarHBondContact O-OG1 3.23Å; T147-T150 WeakPolarHBondContact CA-OG1 3.21Å; T147-T150 PolarHBondContact N-OG1 2.71Å; T147-T150 PolarHBondContact O-OG1 3.01Å; T147-T150 PolarHBondContact OG1-N 2.67Å; T147-T150 VanDerWaalsContact OG1-N 3.17Å; T147-T150 PolarHBondContact OG1-OG1 2.67Å; T150-G152 PolarHBondContact O-N 3.37Å; T150-G153 PolarHBondContact O-N 3.05Å; T150-I154 VanDerWaalsContact O-CG1 3.28Å; T150-I154 WeakPolarHBondContact O-CG1 3.49Å; T150-I154 PolarHBondContact O-N 3.33Å |
| 151 | S | 90.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 173.6 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | W146 T147 R148 I154 I155 | W146-S151 PolarHBondContact NE1-OG 3.2Å; T147-S151 WeakPolarHBondContact O-CB 3.19Å; T147-S151 PolarHBondContact O-N 3.01Å; T147-S151 VanDerWaalsContact O-N 3.14Å; T147-S151 PolarHBondContact O-OG 3.06Å; R148-S151 PolarHBondContact O-N 3.08Å; S151-I154 PolarHBondContact O-N 3.36Å; S151-I155 VanDerWaalsContact O-CG1 3.32Å; S151-I155 WeakPolarHBondContact O-CG1 3.13Å; S151-I155 PolarHBondContact O-N 3.26Å |
| 152 | G | 91.6 | Very high | 91.3 | Very high | 31 Ų | 31 | 68.3 Ų | 68.3 | 32% | 0.32 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | R148 E149 T150 I155 L156 | R148-G152 PolarHBondContact O-N 2.85Å; E149-G152 PolarHBondContact O-N 3.23Å; T150-G152 PolarHBondContact O-N 3.37Å; G152-I155 PolarHBondContact O-N 3.41Å; G152-L156 WeakPolarHBondContact O-CB 3.25Å; G152-L156 PolarHBondContact O-N 2.94Å |
| 153 | G | 94.1 | Very high | 91.9 | Very high | 28 Ų | 28 | 71.7 Ų | 71.7 | 29% | 0.289 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | E149 T150 L156 I157 | E149-G153 PolarHBondContact O-N 3.43Å; T150-G153 PolarHBondContact O-N 3.05Å; G153-L156 PolarHBondContact O-N 2.8Å; G153-I157 VanDerWaalsContact O-CG1 3.29Å; G153-I157 WeakPolarHBondContact O-CG1 3.37Å; G153-I157 PolarHBondContact O-N 3.19Å |
| 154 | I | 94 | Very high | 92.5 | Very high | 43 Ų | 43 | 70.8 Ų | 70.8 | 22% | 0.221 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61 | -46 | 174.2 | -69.8 | 167.7 | 0 | 0 | 0 | 110.4 | F69 C127 W146 T150 S151 L156 I157 C158 | F69-I154 HydrophobicContact CE1-CG2 4.11Å; F69-I154 HydrophobicContact CZ-CB 4.24Å; F69-I154 HydrophobicContact CZ-CG2 3.98Å; C127-I154 HydrophobicContact CB-CG2 4.28Å; C127-I154 WeakPolarHBondContact SG-CG2 3.23Å; W146-I154 HydrophobicContact CH2-CD1 3.85Å; W146-I154 HydrophobicContact CZ3-CD1 3.83Å; T150-I154 VanDerWaalsContact O-CG1 3.28Å; T150-I154 WeakPolarHBondContact O-CG1 3.49Å; T150-I154 PolarHBondContact O-N 3.33Å; S151-I154 PolarHBondContact O-N 3.36Å; I154-L156 PolarHBondContact O-N 3.11Å; I154-I157 PolarHBondContact O-N 3.38Å; I154-C158 WeakPolarHBondContact O-CB 3.44Å; I154-C158 PolarHBondContact O-N 2.75Å |
| 155 | I | 95 | Very high | 93.1 | Very high | 24 Ų | 24 | 61.8 Ų | 61.8 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 176.3 | -69.3 | 165.5 | 0 | 0 | 0 | 109.9 | L68 F69 N72 S151 G152 I157 C158 W159 | L68-I155 HydrophobicContact CB-CD1 3.91Å; F69-I155 HydrophobicContact CD1-CD1 4.4Å; F69-I155 HydrophobicContact CD1-CG1 4.2Å; F69-I155 HydrophobicContact CE1-CD1 4.33Å; F69-I155 HydrophobicContact CE1-CG1 3.8Å; F69-I155 HydrophobicContact CZ-CD1 4.46Å; F69-I155 HydrophobicContact CZ-CG1 4.13Å; N72-I155 HydrophobicContact CB-CD1 4.07Å; N72-I155 HydrophobicContact CB-CG1 4.38Å; N72-I155 HydrophobicContact CB-CG2 4.48Å; N72-I155 WeakPolarHBondContact OD1-CG2 3.48Å; S151-I155 VanDerWaalsContact O-CG1 3.32Å; S151-I155 WeakPolarHBondContact O-CG1 3.13Å; S151-I155 PolarHBondContact O-N 3.26Å; G152-I155 PolarHBondContact O-N 3.41Å; I155-I157 VanDerWaalsContact C-N 3.34Å; I155-I157 PolarHBondContact O-N 3.06Å; I155-C158 WeakPolarHBondContact O-CA 3.27Å; I155-C158 WeakPolarHBondContact O-CB 3.37Å; I155-C158 PolarHBondContact O-N 2.9Å; I155-C158 VanDerWaalsContact O-N 3.09Å; I155-W159 PolarHBondContact O-N 3.32Å |
| 156 | L | 96.4 | Very high | 93.7 | Very high | 106 Ų | 106 | 57.3 Ų | 57.3 | 56% | 0.555 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -56.7 | -45.5 | 178.6 | 180 | 63 | 0 | 0 | 0 | 112.2 | G152 G153 I154 W159 L160 | G152-L156 WeakPolarHBondContact O-CB 3.25Å; G152-L156 PolarHBondContact O-N 2.94Å; G153-L156 PolarHBondContact O-N 2.8Å; I154-L156 PolarHBondContact O-N 3.11Å; L156-W159 PolarHBondContact O-N 3.41Å; L156-L160 HydrophobicContact CD1-CD1 4.46Å; L156-L160 HydrophobicContact CD1-CG 4.39Å; L156-L160 HydrophobicContact CG-CD1 4.22Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 3.23Å |
| 157 | I | 97.3 | Very high | 94.2 | Very high | 117 Ų | 117 | 58.4 Ų | 58.4 | 60% | 0.6 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.9 | -45.2 | 175.7 | -67.2 | 164.1 | 0 | 0 | 0 | 110.7 | G153 I154 I155 W159 L160 A161 | G153-I157 VanDerWaalsContact O-CG1 3.29Å; G153-I157 WeakPolarHBondContact O-CG1 3.37Å; G153-I157 PolarHBondContact O-N 3.19Å; I154-I157 PolarHBondContact O-N 3.38Å; I155-I157 VanDerWaalsContact C-N 3.34Å; I155-I157 PolarHBondContact O-N 3.06Å; I157-W159 VanDerWaalsContact C-N 3.25Å; I157-W159 PolarHBondContact O-N 2.95Å; I157-L160 PolarHBondContact O-N 3.43Å; I157-A161 WeakPolarHBondContact O-CB 3.42Å; I157-A161 PolarHBondContact O-N 2.67Å |
| 158 | C | 96.6 | Very high | 94.6 | Very high | 16 Ų | 16 | 59 Ų | 59 | 11% | 0.108 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.7 | -40.1 | 176.7 | -111.2 | 0 | 0 | 0 | 0 | 110.5 | F123 C127 I154 I155 A162 | F123-C158 HydrophobicContact CB-CB 4.43Å; F123-C158 PolarHBondContact O-SG 2.88Å; C127-C158 WeakPolarHBondContact CB-SG 3.42Å; C127-C158 WeakPolarHBondContact SG-CB 3.21Å; C127-C158 CovalentContact SG-SG 2.1Å; C127-C158 PolarHBondContact SG-SG 3.47Å; I154-C158 WeakPolarHBondContact O-CB 3.44Å; I154-C158 PolarHBondContact O-N 2.75Å; I155-C158 WeakPolarHBondContact O-CA 3.27Å; I155-C158 WeakPolarHBondContact O-CB 3.37Å; I155-C158 PolarHBondContact O-N 2.9Å; I155-C158 VanDerWaalsContact O-N 3.09Å; C158-A162 WeakPolarHBondContact O-CB 3.43Å; C158-A162 PolarHBondContact O-N 3.12Å |
| 159 | W | 97.9 | Very high | 95 | Very high | 49 Ų | 49 | 52.4 Ų | 52.4 | 19% | 0.186 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.1 | -45.1 | 176.3 | -82.7 | 68.2 | 0 | 0 | 0 | 113.9 | N72 F75 L79 V120 I155 L156 I157 A161 A162 F163 | N72-W159 PolarHBondContact OD1-NE1 3.26Å; F75-W159 AromaticContact CD1-CH2 3.78Å; F75-W159 HydrophobicContact CD1-CH2 3.78Å; F75-W159 AromaticContact CD1-CZ2 3.73Å; F75-W159 HydrophobicContact CD1-CZ2 3.73Å; F75-W159 AromaticContact CE1-CH2 3.56Å; F75-W159 HydrophobicContact CE1-CH2 3.56Å; F75-W159 AromaticContact CE1-CZ2 3.98Å; F75-W159 HydrophobicContact CE1-CZ2 3.98Å; L79-W159 HydrophobicContact CD1-CH2 3.49Å; L79-W159 VanDerWaalsContact CD1-CH2 3.49Å; L79-W159 HydrophobicContact CD1-CZ2 4.38Å; L79-W159 HydrophobicContact CD1-CZ3 4.19Å; V120-W159 HydrophobicContact CG1-CD2 4.03Å; V120-W159 HydrophobicContact CG1-CE3 4.4Å; V120-W159 HydrophobicContact CG1-CH2 3.88Å; V120-W159 HydrophobicContact CG1-CZ2 3.46Å; V120-W159 VanDerWaalsContact CG1-CZ2 3.46Å; V120-W159 HydrophobicContact CG1-CZ3 4.34Å; V120-W159 HydrophobicContact CG2-CD2 4.04Å; V120-W159 HydrophobicContact CG2-CE3 3.92Å; V120-W159 HydrophobicContact CG2-CZ3 4.17Å; I155-W159 PolarHBondContact O-N 3.32Å; L156-W159 PolarHBondContact O-N 3.41Å; I157-W159 VanDerWaalsContact C-N 3.25Å; I157-W159 PolarHBondContact O-N 2.95Å; W159-A161 VanDerWaalsContact C-N 3.31Å; W159-A161 PolarHBondContact O-N 2.73Å; W159-A162 WeakPolarHBondContact O-CB 3.21Å; W159-A162 PolarHBondContact O-N 3.38Å; W159-A162 VanDerWaalsContact O-N 3.15Å; W159-F163 HydrophobicContact CE3-CE1 4.18Å; W159-F163 AromaticContact CE3-CE2 3.83Å; W159-F163 HydrophobicContact CE3-CE2 3.83Å; W159-F163 AromaticContact CE3-CZ 3.44Å; W159-F163 HydrophobicContact CE3-CZ 3.44Å; W159-F163 VanDerWaalsContact CE3-CZ 3.44Å; W159-F163 HydrophobicContact CZ3-CE1 4.34Å; W159-F163 AromaticContact CZ3-CZ 3.73Å; W159-F163 HydrophobicContact CZ3-CZ 3.73Å; W159-F163 WeakPolarHBondContact O-CD2 3.19Å; W159-F163 WeakPolarHBondContact O-CG 3.47Å; W159-F163 PolarHBondContact O-N 3.09Å |
| 160 | L | 98.2 | Very high | 95.3 | Very high | 104 Ų | 104 | 47.9 Ų | 47.9 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 177.3 | -68.9 | 174.1 | 0 | 0 | 0 | 111.2 | L156 I157 A162 F163 F164 | L156-L160 HydrophobicContact CD1-CD1 4.46Å; L156-L160 HydrophobicContact CD1-CG 4.39Å; L156-L160 HydrophobicContact CG-CD1 4.22Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 3.23Å; I157-L160 PolarHBondContact O-N 3.43Å; L160-A162 VanDerWaalsContact C-N 3.34Å; L160-F163 PolarHBondContact O-N 2.87Å; L160-F164 WeakPolarHBondContact O-CB 3.44Å; L160-F164 PolarHBondContact O-N 3.07Å |
| 161 | A | 97 | Very high | 95.6 | Very high | 41 Ų | 41 | 50.2 Ų | 50.2 | 34% | 0.339 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F123 I157 W159 F164 V165 | F123-A161 HydrophobicContact CD2-CB 4.22Å; F123-A161 HydrophobicContact CE2-CB 4.06Å; I157-A161 WeakPolarHBondContact O-CB 3.42Å; I157-A161 PolarHBondContact O-N 2.67Å; W159-A161 VanDerWaalsContact C-N 3.31Å; W159-A161 PolarHBondContact O-N 2.73Å; A161-F164 WeakPolarHBondContact O-CB 3.28Å; A161-F164 PolarHBondContact O-N 3.31Å; A161-V165 WeakPolarHBondContact O-CG2 3.32Å; A161-V165 PolarHBondContact O-N 3.23Å |
| 162 | A | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A119 V120 F123 C158 W159 L160 F164 V165 G166 | A119-A162 HydrophobicContact CB-CB 3.62Å; V120-A162 HydrophobicContact CB-CB 4.21Å; V120-A162 HydrophobicContact CG2-CB 3.45Å; V120-A162 VanDerWaalsContact CG2-CB 3.45Å; F123-A162 HydrophobicContact CD2-CB 3.95Å; F123-A162 HydrophobicContact CE2-CB 4.36Å; C158-A162 WeakPolarHBondContact O-CB 3.43Å; C158-A162 PolarHBondContact O-N 3.12Å; W159-A162 WeakPolarHBondContact O-CB 3.21Å; W159-A162 PolarHBondContact O-N 3.38Å; W159-A162 VanDerWaalsContact O-N 3.15Å; L160-A162 VanDerWaalsContact C-N 3.34Å; A162-F164 VanDerWaalsContact C-N 3.33Å; A162-V165 PolarHBondContact O-N 2.98Å; A162-G166 PolarHBondContact O-N 2.97Å |
| 163 | F | 97.8 | Very high | 95.7 | Very high | 82 Ų | 82 | 50.1 Ų | 50.1 | 36% | 0.36 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66 | -36.8 | 174.8 | -67.6 | -34.9 | 0 | 0 | 0 | 112.4 | F112 W159 L160 G166 T167 | F112-F163 HydrophobicContact CZ-CB 4.4Å; F112-F163 HydrophobicContact CZ-CD1 4.05Å; F112-F163 HydrophobicContact CZ-CG 4.46Å; W159-F163 HydrophobicContact CE3-CE1 4.18Å; W159-F163 AromaticContact CE3-CE2 3.83Å; W159-F163 HydrophobicContact CE3-CE2 3.83Å; W159-F163 AromaticContact CE3-CZ 3.44Å; W159-F163 HydrophobicContact CE3-CZ 3.44Å; W159-F163 VanDerWaalsContact CE3-CZ 3.44Å; W159-F163 HydrophobicContact CZ3-CE1 4.34Å; W159-F163 AromaticContact CZ3-CZ 3.73Å; W159-F163 HydrophobicContact CZ3-CZ 3.73Å; W159-F163 WeakPolarHBondContact O-CD2 3.19Å; W159-F163 WeakPolarHBondContact O-CG 3.47Å; W159-F163 PolarHBondContact O-N 3.09Å; L160-F163 PolarHBondContact O-N 2.87Å; F163-G166 CarbonylContact O-C 3.58Å; F163-G166 WeakPolarHBondContact O-CA 3.48Å; F163-G166 PolarHBondContact O-N 3.38Å; F163-G166 VanDerWaalsContact O-N 3.09Å; F163-T167 WeakPolarHBondContact O-CG2 3.2Å; F163-T167 PolarHBondContact O-N 3.06Å |
| 164 | F | 97 | Very high | 95.6 | Very high | 152 Ų | 152 | 50.8 Ų | 50.8 | 67% | 0.667 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -59.9 | -48.7 | 173.1 | -177.3 | -98.6 | 0 | 0 | 0 | 111.4 | L160 A161 A162 G166 T167 | L160-F164 WeakPolarHBondContact O-CB 3.44Å; L160-F164 PolarHBondContact O-N 3.07Å; A161-F164 WeakPolarHBondContact O-CB 3.28Å; A161-F164 PolarHBondContact O-N 3.31Å; A162-F164 VanDerWaalsContact C-N 3.33Å; F164-G166 PolarHBondContact O-N 3.03Å; F164-T167 WeakPolarHBondContact O-CB 3.41Å; F164-T167 PolarHBondContact O-N 3Å; F164-T167 VanDerWaalsContact O-N 3.14Å; F164-T167 PolarHBondContact O-OG1 3.13Å |
| 165 | V | 95.7 | Very high | 95.4 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.5 | -37.3 | 172.1 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | M115 A119 F123 A161 A162 T167 L168 L211 | M115-V165 HydrophobicContact CE-CG1 4.34Å; A119-V165 HydrophobicContact CB-CB 4.39Å; A119-V165 HydrophobicContact CB-CG1 4.38Å; F123-V165 HydrophobicContact CE2-CG2 4.2Å; F123-V165 HydrophobicContact CZ-CG2 4.11Å; A161-V165 WeakPolarHBondContact O-CG2 3.32Å; A161-V165 PolarHBondContact O-N 3.23Å; A162-V165 PolarHBondContact O-N 2.98Å; V165-T167 VanDerWaalsContact C-N 3.26Å; V165-T167 PolarHBondContact O-N 3.16Å; V165-L168 VanDerWaalsContact O-CB 3.3Å; V165-L168 WeakPolarHBondContact O-CB 3.46Å; V165-L168 WeakPolarHBondContact O-CG 3.33Å; V165-L168 PolarHBondContact O-N 3.47Å; V165-L168 VanDerWaalsContact O-N 3.12Å; V165-L211 HydrophobicContact CG1-CD2 4.29Å |
| 166 | G | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.4 | -36 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F112 S116 A162 F163 F164 L168 G169 P170 | F112-G166 VanDerWaalsContact CD2-C 3.47Å; F112-G166 WeakPolarHBondContact CD2-O 3.31Å; S116-G166 WeakPolarHBondContact OG-CA 3.26Å; A162-G166 PolarHBondContact O-N 2.97Å; F163-G166 CarbonylContact O-C 3.58Å; F163-G166 WeakPolarHBondContact O-CA 3.48Å; F163-G166 PolarHBondContact O-N 3.38Å; F163-G166 VanDerWaalsContact O-N 3.09Å; F164-G166 PolarHBondContact O-N 3.03Å; G166-L168 PolarHBondContact O-N 2.84Å; G166-L168 VanDerWaalsContact O-N 3.16Å; G166-G169 PolarHBondContact O-N 3.39Å; G166-P170 WeakPolarHBondContact O-CD 3.46Å |
| 167 | T | 95.9 | Very high | 94.5 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.3 | 178.5 | 68.3 | 0 | 0 | 0 | 0 | 113.8 | F112 F163 F164 V165 G169 P170 I171 | F112-T167 HydrophobicContact CE2-CG2 4.21Å; F163-T167 WeakPolarHBondContact O-CG2 3.2Å; F163-T167 PolarHBondContact O-N 3.06Å; F164-T167 WeakPolarHBondContact O-CB 3.41Å; F164-T167 PolarHBondContact O-N 3Å; F164-T167 VanDerWaalsContact O-N 3.14Å; F164-T167 PolarHBondContact O-OG1 3.13Å; V165-T167 VanDerWaalsContact C-N 3.26Å; V165-T167 PolarHBondContact O-N 3.16Å; T167-G169 PolarHBondContact O-N 2.99Å; T167-P170 WeakPolarHBondContact O-CD 3.37Å; T167-I171 WeakPolarHBondContact O-CD1 3.32Å; T167-I171 WeakPolarHBondContact O-CG1 3.28Å |
| 168 | L | 94.9 | Very high | 93.8 | Very high | 51 Ų | 51 | 44.2 Ų | 44.2 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.2 | -26.3 | 173.3 | -59.9 | 176.8 | 0 | 0 | 0 | 111.8 | V165 G166 I171 L172 V206 | V165-L168 VanDerWaalsContact O-CB 3.3Å; V165-L168 WeakPolarHBondContact O-CB 3.46Å; V165-L168 WeakPolarHBondContact O-CG 3.33Å; V165-L168 PolarHBondContact O-N 3.47Å; V165-L168 VanDerWaalsContact O-N 3.12Å; G166-L168 PolarHBondContact O-N 2.84Å; G166-L168 VanDerWaalsContact O-N 3.16Å; L168-I171 HydrophobicContact CD2-CD1 4.49Å; L168-I171 PolarHBondContact O-N 2.91Å; L168-L172 HydrophobicContact CB-CD1 4.2Å; L168-L172 WeakPolarHBondContact O-CB 3.36Å; L168-L172 WeakPolarHBondContact O-CD1 3.35Å; L168-L172 WeakPolarHBondContact O-CG 3.13Å; L168-L172 PolarHBondContact O-N 3.25Å; L168-L172 VanDerWaalsContact O-N 3.13Å; L168-V206 HydrophobicContact CD1-CG1 3.67Å |
| 169 | G | 93.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.2 | -63.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G166 T167 I171 L172 V173 | G166-G169 PolarHBondContact O-N 3.39Å; T167-G169 PolarHBondContact O-N 2.99Å; G169-I171 PolarHBondContact O-N 2.96Å; G169-L172 PolarHBondContact O-N 3.37Å; G169-L172 VanDerWaalsContact O-N 3.07Å; G169-V173 WeakPolarHBondContact O-CB 3.45Å; G169-V173 PolarHBondContact O-N 2.91Å |
| 170 | P | 94.9 | Very high | 92.5 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 24% | 0.24 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.4 | -30.3 | 176 | -27.8 | 31.5 | 0 | 0 | 0 | 115.5 | A108 F112 G166 T167 | A108-P170 HydrophobicContact CB-CB 4.01Å; A108-P170 HydrophobicContact CB-CG 4.39Å; A108-P170 WeakPolarHBondContact O-CG 3.37Å; F112-P170 HydrophobicContact CB-CG 3.76Å; G166-P170 WeakPolarHBondContact O-CD 3.46Å; T167-P170 WeakPolarHBondContact O-CD 3.37Å |
| 171 | I | 94.2 | Very high | 91.7 | Very high | 104 Ų | 104 | 40.6 Ų | 40.6 | 53% | 0.533 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -72.6 | -34.6 | 179.9 | -65.2 | 168.7 | 0 | 0 | 0 | 110.7 | T167 L168 G169 | T167-I171 WeakPolarHBondContact O-CD1 3.32Å; T167-I171 WeakPolarHBondContact O-CG1 3.28Å; L168-I171 HydrophobicContact CD2-CD1 4.49Å; L168-I171 PolarHBondContact O-N 2.91Å; G169-I171 PolarHBondContact O-N 2.96Å |
| 172 | L | 93.4 | Very high | 91 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -100 | -17.7 | -171.3 | -60.1 | 171.9 | 0 | 0 | 0 | 113.3 | L168 G169 V195 R196 Y199 T202 L203 | L168-L172 HydrophobicContact CB-CD1 4.2Å; L168-L172 WeakPolarHBondContact O-CB 3.36Å; L168-L172 WeakPolarHBondContact O-CD1 3.35Å; L168-L172 WeakPolarHBondContact O-CG 3.13Å; L168-L172 PolarHBondContact O-N 3.25Å; L168-L172 VanDerWaalsContact O-N 3.13Å; G169-L172 PolarHBondContact O-N 3.37Å; G169-L172 VanDerWaalsContact O-N 3.07Å; L172-V195 WeakPolarHBondContact O-CG1 3.38Å; L172-R196 WeakPolarHBondContact O-CB 3.45Å; L172-R196 PolarHBondContact O-N 3.12Å; L172-Y199 HydrophobicContact CD2-CD1 3.37Å; L172-Y199 HydrophobicContact CD2-CE1 4.08Å; L172-Y199 HydrophobicContact CD2-CG 3.84Å; L172-T202 HydrophobicContact CD2-CG2 4.49Å; L172-L203 HydrophobicContact CB-CD1 4.49Å; L172-L203 HydrophobicContact CD1-CB 4.08Å; L172-L203 HydrophobicContact CD1-CD1 3.67Å; L172-L203 HydrophobicContact CD1-CG 4.45Å |
| 173 | V | 92 | Very high | 90.1 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 139.7 | -179.5 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | C107 A111 G169 C193 G194 | C107-V173 HydrophobicContact CB-CG1 4.22Å; A111-V173 HydrophobicContact CB-CB 3.81Å; A111-V173 HydrophobicContact CB-CG1 4.13Å; A111-V173 HydrophobicContact CB-CG2 3.68Å; G169-V173 WeakPolarHBondContact O-CB 3.45Å; G169-V173 PolarHBondContact O-N 2.91Å; V173-C193 HydrophobicContact CG1-CB 4.29Å; V173-G194 CarbonylContact C-O 3.57Å; V173-G194 WeakPolarHBondContact CA-O 3.29Å; V173-G194 WeakPolarHBondContact CG1-O 3.32Å |
| 174 | D | 90.5 | Very high | 89.4 | Confident | 43 Ų | 43 | 51 Ų | 51 | 23% | 0.23 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 162.3 | 175.7 | -155.5 | -2.7 | 0 | 0 | 0 | 111.2 | Q176 G194 R196 | D174-Q176 PolarHBondContact O-N 3.36Å; D174-G194 PolarHBondContact N-O 3.39Å; D174-G194 PolarHBondContact O-N 2.92Å; D174-R196 HydrophobicContact CB-CB 4.42Å |
| 175 | R | 90.5 | Very high | 88.6 | Confident | 81 Ų | 81 | 54.5 Ų | 54.5 | 31% | 0.306 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.2 | 170 | 178 | -174.9 | 174.7 | -178.3 | 4.3 | 108.3 | R102 W104 Y191 | R102-R175 VanDerWaalsContact O-CD 3.29Å; R102-R175 WeakPolarHBondContact O-CD 3.24Å; R102-R175 VanDerWaalsContact O-CZ 3.24Å; R102-R175 PolarHBondContact O-NE 3.23Å; W104-R175 HydrophobicContact CB-CB 4.49Å; R175-Y191 HydrophobicContact CG-CD1 4.16Å; R175-Y191 VanDerWaalsContact CZ-CD1 3.43Å |
| 176 | Q | 86.8 | Confident | 87.9 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 161.4 | 174.6 | -65.3 | -169.8 | -38.1 | 0 | 0 | 110.1 | D174 Y191 Y192 V195 | D174-Q176 PolarHBondContact O-N 3.36Å; Q176-Y191 WeakPolarHBondContact O-CA 3.48Å; Q176-Y192 HydrophobicContact CB-CD1 4.28Å; Q176-Y192 HydrophobicContact CB-CD2 4.39Å; Q176-Y192 HydrophobicContact CB-CE1 3.69Å; Q176-Y192 HydrophobicContact CB-CE2 3.84Å; Q176-Y192 VanDerWaalsContact CB-CZ 3.47Å; Q176-Y192 PolarHBondContact N-O 2.98Å; Q176-Y192 PolarHBondContact O-N 3.34Å; Q176-Y192 PolarHBondContact OE1-OH 2.85Å; Q176-V195 PolarHBondContact NE2-O 3.36Å |
| 177 | C | 86 | Confident | 87.2 | Confident | 13 Ų | 13 | 60 Ų | 60 | 9% | 0.088 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 149.6 | 175.3 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | C13 I189 W190 Y191 | C13-C177 WeakPolarHBondContact CA-SG 3.41Å; C13-C177 HydrophobicContact CB-CB 4.13Å; C13-C177 WeakPolarHBondContact CB-O 3.35Å; C13-C177 WeakPolarHBondContact CB-SG 3.43Å; C13-C177 WeakPolarHBondContact SG-CB 3.39Å; C13-C177 CovalentContact SG-SG 2.04Å; C13-C177 PolarHBondContact SG-SG 3.36Å; C177-I189 HydrophobicContact CB-CG2 4.17Å; C177-W190 CarbonylContact C-O 3.57Å; C177-W190 WeakPolarHBondContact CA-O 3.5Å; C177-W190 WeakPolarHBondContact CB-O 3.43Å; C177-Y191 HydrophobicContact CB-CD1 3.52Å; C177-Y191 HydrophobicContact CB-CE1 3.63Å; C177-Y191 HydrophobicContact CB-CG 4.38Å |
| 178 | I | 81.6 | Confident | 86.6 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.2 | 169.8 | -68.9 | 151.3 | 0 | 0 | 0 | 107 | Q15 L17 F180 I189 W190 Y192 | Q15-I178 HydrophobicContact CB-CG1 3.97Å; Q15-I178 HydrophobicContact CB-CG2 4.47Å; L17-I178 HydrophobicContact CD1-CG2 3.56Å; I178-F180 HydrophobicContact CG2-CD1 4.35Å; I178-I189 WeakPolarHBondContact O-CA 3.27Å; I178-W190 PolarHBondContact N-O 3.38Å; I178-W190 PolarHBondContact O-N 2.91Å; I178-Y192 HydrophobicContact CD1-CD1 4.12Å; I178-Y192 HydrophobicContact CD1-CE1 3.54Å; I178-Y192 HydrophobicContact CG1-CE1 3.72Å |
| 179 | E | 84.5 | Confident | 86 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 19% | 0.187 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.1 | 172.7 | -177.8 | -175.1 | 158.3 | 0 | 0 | 107.9 | C13 Q15 K16 L17 H187 H188 I189 | C13-E179 HydrophobicContact CB-CB 4.12Å; Q15-E179 PolarHBondContact O-N 3.19Å; K16-E179 CarbonylContact C-O 3.56Å; K16-E179 VanDerWaalsContact CA-O 3.27Å; K16-E179 WeakPolarHBondContact CA-O 3.39Å; K16-E179 WeakPolarHBondContact CE-OE2 3.44Å; K16-E179 HydrophobicContact CG-CB 4.26Å; K16-E179 VanDerWaalsContact NZ-CD 3.29Å; K16-E179 IonicContact NZ-OE1 3.44Å; K16-E179 PolarHBondContact NZ-OE1 3.14Å; K16-E179 VanDerWaalsContact NZ-OE1 3.08Å; K16-E179 IonicContact NZ-OE2 2.93Å; K16-E179 PolarHBondContact NZ-OE2 3.48Å; L17-E179 PolarHBondContact N-O 3.03Å; E179-H187 VanDerWaalsContact CD-NE2 3.33Å; E179-H187 VanDerWaalsContact CG-NE2 3.29Å; E179-H187 WeakPolarHBondContact CG-NE2 3.37Å; E179-H187 IonicContact OE1-CD2 3.9Å; E179-H187 IonicContact OE1-CE1 3.46Å; E179-H187 PolarHBondContact OE1-CE1 3.26Å; E179-H187 IonicContact OE1-NE2 2.75Å; E179-H187 PolarHBondContact OE1-NE2 3.49Å; E179-H188 WeakPolarHBondContact CA-O 3.37Å; E179-I189 HydrophobicContact CG-CG1 4.29Å |
| 180 | F | 82.7 | Confident | 85.4 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 153.4 | 177.1 | 68.1 | -88.3 | 0 | 0 | 0 | 113.4 | L17 V20 I178 H188 W190 | L17-F180 HydrophobicContact CB-CB 3.99Å; L17-F180 CarbonylContact O-C 3.58Å; L17-F180 WeakPolarHBondContact O-CA 3.23Å; L17-F180 VanDerWaalsContact O-CB 3.31Å; L17-F180 WeakPolarHBondContact O-CB 3.47Å; V20-F180 HydrophobicContact CB-CD2 4.4Å; V20-F180 HydrophobicContact CG2-CB 4.03Å; V20-F180 HydrophobicContact CG2-CD2 4.5Å; I178-F180 HydrophobicContact CG2-CD1 4.35Å; F180-H188 HydrophobicContact CD1-CB 4.22Å; F180-H188 HydrophobicContact CD2-CB 4.14Å; F180-H188 HydrophobicContact CE1-CB 3.76Å; F180-H188 HydrophobicContact CE2-CB 3.65Å; F180-H188 AromaticContact CE2-CD2 3.84Å; F180-H188 AromaticContact CE2-CG 3.95Å; F180-H188 HydrophobicContact CG-CB 4.41Å; F180-H188 HydrophobicContact CZ-CB 3.45Å; F180-H188 VanDerWaalsContact CZ-CB 3.45Å; F180-H188 PolarHBondContact N-O 3.06Å; F180-H188 PolarHBondContact O-N 3.4Å; F180-W190 HydrophobicContact CE1-CB 4.38Å; F180-W190 AromaticContact CE1-CD1 3.52Å; F180-W190 AromaticContact CE1-CD2 3.52Å; F180-W190 HydrophobicContact CE1-CD2 3.52Å; F180-W190 AromaticContact CE1-CE2 3.45Å; F180-W190 VanDerWaalsContact CE1-CE2 3.45Å; F180-W190 HydrophobicContact CE1-CE3 4.2Å; F180-W190 AromaticContact CE1-CG 3.58Å; F180-W190 HydrophobicContact CE1-CG 3.58Å; F180-W190 HydrophobicContact CE1-CZ2 4.09Å; F180-W190 AromaticContact CE1-NE1 3.42Å; F180-W190 AromaticContact CZ-CD1 3.95Å; F180-W190 AromaticContact CZ-CD2 3.94Å; F180-W190 HydrophobicContact CZ-CD2 3.94Å; F180-W190 AromaticContact CZ-CE2 3.35Å; F180-W190 HydrophobicContact CZ-CG 4.29Å; F180-W190 HydrophobicContact CZ-CH2 4.39Å; F180-W190 AromaticContact CZ-CZ2 3.61Å; F180-W190 HydrophobicContact CZ-CZ2 3.61Å; F180-W190 AromaticContact CZ-NE1 3.36Å |
| 181 | T | 82.7 | Confident | 84.9 | Confident | 34 Ų | 34 | 66.8 Ų | 66.8 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121.1 | 178.2 | -28.2 | 0 | 0 | 0 | 0 | 109 | L17 D18 N19 V20 G186 | L17-T181 PolarHBondContact O-N 3.41Å; D18-T181 PolarHBondContact OD1-OG1 3.28Å; D18-T181 VanDerWaalsContact OD1-OG1 3.11Å; N19-T181 PolarHBondContact N-O 3.5Å; V20-T181 PolarHBondContact N-O 3.03Å; T181-G186 CarbonylContact C-O 3.58Å; T181-G186 WeakPolarHBondContact CA-O 3.46Å |
| 182 | D | 81.1 | Confident | 84.5 | Confident | 37 Ų | 37 | 64.6 Ų | 64.6 | 20% | 0.198 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 170.1 | 179.8 | 87.1 | -2.9 | 0 | 0 | 0 | 111.7 | R184 R185 G186 H188 | D182-R184 PolarHBondContact O-N 3.38Å; D182-R184 VanDerWaalsContact O-N 3.14Å; D182-R184 WeakPolarHBondContact OD1-CA 3.47Å; D182-R184 WeakPolarHBondContact OD1-CB 3.29Å; D182-R184 PolarHBondContact OD1-N 3.48Å; D182-R185 PolarHBondContact O-N 2.96Å; D182-R185 PolarHBondContact OD1-N 3.43Å; D182-G186 PolarHBondContact N-O 3.3Å; D182-G186 WeakPolarHBondContact OD1-CA 3.43Å; D182-G186 PolarHBondContact OD1-N 2.7Å; D182-H188 IonicContact OD2-NE2 2.72Å |
| 183 | T | 78.6 | Confident | 84.3 | Confident | 88 Ų | 88 | 65.9 Ų | 65.9 | 54% | 0.54 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.5 | 178 | 55 | 0 | 0 | 0 | 0 | 114.4 | R185 | T183-R185 VanDerWaalsContact C-N 3.34Š|
| 184 | R | 83.3 | Confident | 84 | Confident | 218 Ų | 218 | 65.3 Ų | 65.3 | 82% | 0.823 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 10.3 | 176.9 | -58.6 | -178.1 | -178 | -172.9 | 2.4 | 112 | D182 G186 | D182-R184 PolarHBondContact O-N 3.38Å; D182-R184 VanDerWaalsContact O-N 3.14Å; D182-R184 WeakPolarHBondContact OD1-CA 3.47Å; D182-R184 WeakPolarHBondContact OD1-CB 3.29Å; D182-R184 PolarHBondContact OD1-N 3.48Å; R184-G186 PolarHBondContact O-N 3.02Å |
| 185 | R | 80.3 | Confident | 84 | Confident | 225 Ų | 225 | 64.6 Ų | 64.6 | 85% | 0.849 | 30% | 0.298 | S | S | * | . | trans | 63.4 | 21.6 | -175.8 | -54.2 | -178.1 | 177.2 | 180 | -1.3 | 114.4 | D182 T183 | D182-R185 PolarHBondContact O-N 2.96Å; D182-R185 PolarHBondContact OD1-N 3.43Å; T183-R185 VanDerWaalsContact C-N 3.34Å | ||
| 186 | G | 81.6 | Confident | 84 | Confident | 24 Ų | 24 | 67 Ų | 67 | 25% | 0.247 | 31% | 0.307 | C | S | . | . | trans | -70.5 | 127.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | T181 D182 R184 H188 | T181-G186 CarbonylContact C-O 3.58Å; T181-G186 WeakPolarHBondContact CA-O 3.46Å; D182-G186 PolarHBondContact N-O 3.3Å; D182-G186 WeakPolarHBondContact OD1-CA 3.43Å; D182-G186 PolarHBondContact OD1-N 2.7Å; R184-G186 PolarHBondContact O-N 3.02Å; G186-H188 PolarHBondContact O-CD2 3.44Å; G186-H188 VanDerWaalsContact O-CD2 3.3Å | ||
| 187 | H | 83.1 | Confident | 83.7 | Confident | 102 Ų | 102 | 71.4 Ų | 71.4 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 126.5 | 176.3 | -173 | -90.5 | 0 | 0 | 0 | 109.8 | E179 | E179-H187 VanDerWaalsContact CD-NE2 3.33Å; E179-H187 VanDerWaalsContact CG-NE2 3.29Å; E179-H187 WeakPolarHBondContact CG-NE2 3.37Å; E179-H187 IonicContact OE1-CD2 3.9Å; E179-H187 IonicContact OE1-CE1 3.46Å; E179-H187 PolarHBondContact OE1-CE1 3.26Å; E179-H187 IonicContact OE1-NE2 2.75Å; E179-H187 PolarHBondContact OE1-NE2 3.49Å |
| 188 | H | 82.2 | Confident | 83.7 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 33% | 0.333 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 138.2 | -175.7 | -62.1 | -78 | 0 | 0 | 0 | 111.2 | E179 F180 D182 G186 | E179-H188 WeakPolarHBondContact CA-O 3.37Å; F180-H188 HydrophobicContact CD1-CB 4.22Å; F180-H188 HydrophobicContact CD2-CB 4.14Å; F180-H188 HydrophobicContact CE1-CB 3.76Å; F180-H188 HydrophobicContact CE2-CB 3.65Å; F180-H188 AromaticContact CE2-CD2 3.84Å; F180-H188 AromaticContact CE2-CG 3.95Å; F180-H188 HydrophobicContact CG-CB 4.41Å; F180-H188 HydrophobicContact CZ-CB 3.45Å; F180-H188 VanDerWaalsContact CZ-CB 3.45Å; F180-H188 PolarHBondContact N-O 3.06Å; F180-H188 PolarHBondContact O-N 3.4Å; D182-H188 IonicContact OD2-NE2 2.72Å; G186-H188 PolarHBondContact O-CD2 3.44Å; G186-H188 VanDerWaalsContact O-CD2 3.3Å |
| 189 | I | 82.7 | Confident | 84.2 | Confident | 68 Ų | 68 | 76.4 Ų | 76.4 | 35% | 0.349 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.5 | 172.9 | -57.6 | 172.9 | 0 | 0 | 0 | 108.3 | C177 I178 E179 Y191 | C177-I189 HydrophobicContact CB-CG2 4.17Å; I178-I189 WeakPolarHBondContact O-CA 3.27Å; E179-I189 HydrophobicContact CG-CG1 4.29Å; I189-Y191 HydrophobicContact CG2-CE1 4.36Å; I189-Y191 HydrophobicContact CG2-CE2 3.91Å |
| 190 | W | 81 | Confident | 84.5 | Confident | 83 Ų | 83 | 79.2 Ų | 79.2 | 31% | 0.314 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 134 | 178.8 | -74.7 | 15 | 0 | 0 | 0 | 110.7 | Y25 H99 C177 I178 F180 | Y25-W190 AromaticContact CE1-CH2 3.8Å; Y25-W190 HydrophobicContact CE1-CH2 3.8Å; Y25-W190 AromaticContact CE1-CZ3 3.76Å; Y25-W190 HydrophobicContact CE1-CZ3 3.76Å; Y25-W190 HydrophobicContact CE2-CH2 4.26Å; Y25-W190 AromaticContact CZ-CH2 3.4Å; Y25-W190 VanDerWaalsContact CZ-CH2 3.4Å; Y25-W190 AromaticContact CZ-CZ3 3.63Å; Y25-W190 WeakPolarHBondContact OH-CH2 3.44Å; Y25-W190 WeakPolarHBondContact OH-CZ3 3.38Å; H99-W190 HydrophobicContact CB-CB 4.26Å; H99-W190 HydrophobicContact CB-CD2 4.25Å; H99-W190 HydrophobicContact CB-CE3 4.48Å; H99-W190 HydrophobicContact CB-CG 4.16Å; C177-W190 CarbonylContact C-O 3.57Å; C177-W190 WeakPolarHBondContact CA-O 3.5Å; C177-W190 WeakPolarHBondContact CB-O 3.43Å; I178-W190 PolarHBondContact N-O 3.38Å; I178-W190 PolarHBondContact O-N 2.91Å; F180-W190 HydrophobicContact CE1-CB 4.38Å; F180-W190 AromaticContact CE1-CD1 3.52Å; F180-W190 AromaticContact CE1-CD2 3.52Å; F180-W190 HydrophobicContact CE1-CD2 3.52Å; F180-W190 AromaticContact CE1-CE2 3.45Å; F180-W190 VanDerWaalsContact CE1-CE2 3.45Å; F180-W190 HydrophobicContact CE1-CE3 4.2Å; F180-W190 AromaticContact CE1-CG 3.58Å; F180-W190 HydrophobicContact CE1-CG 3.58Å; F180-W190 HydrophobicContact CE1-CZ2 4.09Å; F180-W190 AromaticContact CE1-NE1 3.42Å; F180-W190 AromaticContact CZ-CD1 3.95Å; F180-W190 AromaticContact CZ-CD2 3.94Å; F180-W190 HydrophobicContact CZ-CD2 3.94Å; F180-W190 AromaticContact CZ-CE2 3.35Å; F180-W190 HydrophobicContact CZ-CG 4.29Å; F180-W190 HydrophobicContact CZ-CH2 4.39Å; F180-W190 AromaticContact CZ-CZ2 3.61Å; F180-W190 HydrophobicContact CZ-CZ2 3.61Å; F180-W190 AromaticContact CZ-NE1 3.36Å |
| 191 | Y | 84.9 | Confident | 85 | Confident | 66 Ų | 66 | 79.7 Ų | 79.7 | 26% | 0.259 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134.6 | 176.4 | -62.3 | -81.8 | 0 | 0 | 0 | 111 | H99 R102 R175 Q176 C177 I189 | H99-Y191 CarbonylContact O-C 3.55Å; H99-Y191 WeakPolarHBondContact O-CA 3.15Å; H99-Y191 WeakPolarHBondContact O-CB 3.48Å; H99-Y191 PolarHBondContact O-N 3.18Å; R102-Y191 PolarHBondContact NE-O 3.02Å; R102-Y191 VanDerWaalsContact NE-O 3.17Å; R175-Y191 HydrophobicContact CG-CD1 4.16Å; R175-Y191 VanDerWaalsContact CZ-CD1 3.43Å; Q176-Y191 WeakPolarHBondContact O-CA 3.48Å; C177-Y191 HydrophobicContact CB-CD1 3.52Å; C177-Y191 HydrophobicContact CB-CE1 3.63Å; C177-Y191 HydrophobicContact CB-CG 4.38Å; I189-Y191 HydrophobicContact CG2-CE1 4.36Å; I189-Y191 HydrophobicContact CG2-CE2 3.91Å |
| 192 | Y | 84.8 | Confident | 85.5 | Confident | 57 Ų | 57 | 81.1 Ų | 81.1 | 22% | 0.224 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 165.5 | 178.7 | 68.2 | -79.3 | 0 | 0 | 0 | 110.6 | Q176 I178 | Q176-Y192 HydrophobicContact CB-CD1 4.28Å; Q176-Y192 HydrophobicContact CB-CD2 4.39Å; Q176-Y192 HydrophobicContact CB-CE1 3.69Å; Q176-Y192 HydrophobicContact CB-CE2 3.84Å; Q176-Y192 VanDerWaalsContact CB-CZ 3.47Å; Q176-Y192 PolarHBondContact N-O 2.98Å; Q176-Y192 PolarHBondContact O-N 3.34Å; Q176-Y192 PolarHBondContact OE1-OH 2.85Å; I178-Y192 HydrophobicContact CD1-CD1 4.12Å; I178-Y192 HydrophobicContact CD1-CE1 3.54Å; I178-Y192 HydrophobicContact CG1-CE1 3.72Å |
| 193 | C | 88.8 | Confident | 86.1 | Confident | 38 Ų | 38 | 79.7 Ų | 79.7 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 113.4 | 178 | -54.5 | 0 | 0 | 0 | 0 | 108.5 | R102 C107 M110 V173 | R102-C193 VanDerWaalsContact CD-SG 3.55Å; C107-C193 WeakPolarHBondContact CA-SG 3.25Å; C107-C193 HydrophobicContact CB-CB 3.61Å; C107-C193 WeakPolarHBondContact CB-SG 3.38Å; C107-C193 WeakPolarHBondContact SG-CA 3.42Å; C107-C193 WeakPolarHBondContact SG-CB 3.32Å; C107-C193 CovalentContact SG-SG 2.03Å; C107-C193 PolarHBondContact SG-SG 2.93Å; M110-C193 HydrophobicContact CE-CB 4.24Å; M110-C193 WeakPolarHBondContact CE-SG 3.15Å; V173-C193 HydrophobicContact CG1-CB 4.29Å |
| 194 | G | 87.2 | Confident | 86.8 | Confident | 6 Ų | 6 | 76.1 Ų | 76.1 | 6% | 0.062 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 158.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V173 D174 | V173-G194 CarbonylContact C-O 3.57Å; V173-G194 WeakPolarHBondContact CA-O 3.29Å; V173-G194 WeakPolarHBondContact CG1-O 3.32Å; D174-G194 PolarHBondContact N-O 3.39Å; D174-G194 PolarHBondContact O-N 2.92Å |
| 195 | V | 89.5 | Confident | 87.4 | Confident | 28 Ų | 28 | 70 Ų | 70 | 17% | 0.17 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 134.5 | 169.8 | -173.8 | 0 | 0 | 0 | 0 | 108 | L172 Q176 R200 L203 | L172-V195 WeakPolarHBondContact O-CG1 3.38Å; Q176-V195 PolarHBondContact NE2-O 3.36Å; V195-R200 HydrophobicContact CB-CG 3.83Å; V195-R200 HydrophobicContact CG1-CG 3.91Å; V195-L203 HydrophobicContact CG1-CB 4.44Å; V195-L203 HydrophobicContact CG1-CD2 4.1Å; V195-L203 HydrophobicContact CG2-CD2 3.59Å |
| 196 | R | 89.8 | Confident | 88 | Confident | 131 Ų | 131 | 60.3 Ų | 60.3 | 49% | 0.494 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 142.9 | 177.2 | -167.3 | 174.4 | -173.6 | 172.8 | 3.5 | 110.5 | L172 D174 G198 Y199 | L172-R196 WeakPolarHBondContact O-CB 3.45Å; L172-R196 PolarHBondContact O-N 3.12Å; D174-R196 HydrophobicContact CB-CB 4.42Å; R196-G198 PolarHBondContact O-N 2.91Å; R196-Y199 HydrophobicContact CB-CD2 3.93Å; R196-Y199 HydrophobicContact CG-CD2 4.02Å; R196-Y199 HydrophobicContact CG-CE2 4.44Å; R196-Y199 WeakPolarHBondContact O-CB 3.33Å; R196-Y199 PolarHBondContact O-N 3.44Å |
| 197 | D | 82 | Confident | 88.7 | Confident | 112 Ų | 112 | 60.5 Ų | 60.5 | 60% | 0.599 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 138.1 | -176.9 | -59.5 | -38.7 | 0 | 0 | 0 | 111.3 | Y199 | D197-Y199 WeakPolarHBondContact O-CD2 3.42Å; D197-Y199 PolarHBondContact O-N 2.94Å |
| 198 | G | 85.5 | Confident | 89.3 | Confident | 55 Ų | 55 | 57.5 Ų | 57.5 | 57% | 0.567 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | -7.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | R196 | R196-G198 PolarHBondContact O-N 2.91Š|
| 199 | Y | 92 | Very high | 90 | Very high | 102 Ų | 102 | 57.7 Ų | 57.7 | 40% | 0.4 | 28% | 0.284 | S | S | . | . | trans | -104.3 | -1.5 | -178.8 | -71.7 | -78.8 | 0 | 0 | 0 | 114.8 | L172 R196 D197 L201 T202 L203 | L172-Y199 HydrophobicContact CD2-CD1 3.37Å; L172-Y199 HydrophobicContact CD2-CE1 4.08Å; L172-Y199 HydrophobicContact CD2-CG 3.84Å; R196-Y199 HydrophobicContact CB-CD2 3.93Å; R196-Y199 HydrophobicContact CG-CD2 4.02Å; R196-Y199 HydrophobicContact CG-CE2 4.44Å; R196-Y199 WeakPolarHBondContact O-CB 3.33Å; R196-Y199 PolarHBondContact O-N 3.44Å; D197-Y199 WeakPolarHBondContact O-CD2 3.42Å; D197-Y199 PolarHBondContact O-N 2.94Å; Y199-L201 PolarHBondContact O-N 3.46Å; Y199-T202 HydrophobicContact CD1-CG2 4.43Å; Y199-T202 PolarHBondContact O-N 3.47Å; Y199-L203 WeakPolarHBondContact O-CB 3.31Å; Y199-L203 PolarHBondContact O-N 3.49Å | ||
| 200 | R | 90.7 | Very high | 90.5 | Very high | 98 Ų | 98 | 58.6 Ų | 58.6 | 37% | 0.37 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.8 | -50.1 | 178.1 | -71.7 | 179.3 | -173.1 | -102 | -0.4 | 111.7 | V195 T202 L203 S204 A313 | V195-R200 HydrophobicContact CB-CG 3.83Å; V195-R200 HydrophobicContact CG1-CG 3.91Å; R200-T202 PolarHBondContact O-N 2.92Å; R200-L203 PolarHBondContact O-N 3.4Å; R200-S204 WeakPolarHBondContact O-CB 3.46Å; R200-S204 PolarHBondContact O-N 3.31Å; R200-S204 PolarHBondContact O-OG 2.85Å; R200-S204 VanDerWaalsContact O-OG 3.12Å; R200-A313 HydrophobicContact CB-CB 4.09Å |
| 201 | L | 92.3 | Very high | 91.2 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 179.2 | -176.4 | 57.7 | 0 | 0 | 0 | 111.7 | Y199 S204 K205 V310 A313 E314 D317 | Y199-L201 PolarHBondContact O-N 3.46Å; L201-S204 PolarHBondContact O-N 3.48Å; L201-K205 HydrophobicContact CD1-CD 4.13Å; L201-K205 HydrophobicContact CD1-CG 4.26Å; L201-K205 HydrophobicContact CG-CD 4.1Å; L201-K205 WeakPolarHBondContact O-CB 3.34Å; L201-K205 WeakPolarHBondContact O-CG 3.36Å; L201-K205 PolarHBondContact O-N 2.83Å; L201-V310 HydrophobicContact CD1-CG1 4.26Å; L201-A313 HydrophobicContact CB-CB 4.06Å; L201-A313 HydrophobicContact CD1-CB 4.08Å; L201-E314 HydrophobicContact CD1-CG 3.45Å; L201-E314 VanDerWaalsContact CD1-CG 3.45Å; L201-E314 HydrophobicContact CD2-CG 4.35Å; L201-D317 WeakPolarHBondContact CB-OD2 3.41Å |
| 202 | T | 93.4 | Very high | 91.8 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 40% | 0.399 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.4 | -49.2 | 177.1 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | L172 Y199 R200 K205 V206 | L172-T202 HydrophobicContact CD2-CG2 4.49Å; Y199-T202 HydrophobicContact CD1-CG2 4.43Å; Y199-T202 PolarHBondContact O-N 3.47Å; R200-T202 PolarHBondContact O-N 2.92Å; T202-K205 PolarHBondContact O-N 3.35Å; T202-V206 HydrophobicContact CG2-CG2 4.47Å; T202-V206 WeakPolarHBondContact O-CB 3.49Å; T202-V206 VanDerWaalsContact O-CG2 3.26Å; T202-V206 WeakPolarHBondContact O-CG2 3.43Å; T202-V206 PolarHBondContact O-N 3.32Å |
| 203 | L | 93.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 178.2 | 179.6 | 63.4 | 0 | 0 | 0 | 111.6 | M115 L172 V195 Y199 R200 K205 V206 R207 | M115-L203 HydrophobicContact CE-CD1 4.25Å; M115-L203 HydrophobicContact SD-CD1 4.28Å; L172-L203 HydrophobicContact CB-CD1 4.49Å; L172-L203 HydrophobicContact CD1-CB 4.08Å; L172-L203 HydrophobicContact CD1-CD1 3.67Å; L172-L203 HydrophobicContact CD1-CG 4.45Å; V195-L203 HydrophobicContact CG1-CB 4.44Å; V195-L203 HydrophobicContact CG1-CD2 4.1Å; V195-L203 HydrophobicContact CG2-CD2 3.59Å; Y199-L203 WeakPolarHBondContact O-CB 3.31Å; Y199-L203 PolarHBondContact O-N 3.49Å; R200-L203 PolarHBondContact O-N 3.4Å; L203-K205 PolarHBondContact O-N 3.22Å; L203-V206 PolarHBondContact O-N 2.88Å; L203-R207 HydrophobicContact CD1-CG 4.35Å; L203-R207 WeakPolarHBondContact O-CG 3.14Å; L203-R207 PolarHBondContact O-N 3.14Å |
| 204 | S | 94.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 178.2 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | R200 L201 R207 L208 D309 | R200-S204 WeakPolarHBondContact O-CB 3.46Å; R200-S204 PolarHBondContact O-N 3.31Å; R200-S204 PolarHBondContact O-OG 2.85Å; R200-S204 VanDerWaalsContact O-OG 3.12Å; L201-S204 PolarHBondContact O-N 3.48Å; S204-R207 PolarHBondContact O-N 3.48Å; S204-L208 WeakPolarHBondContact O-CB 3.47Å; S204-L208 PolarHBondContact O-N 2.88Å; S204-D309 PolarHBondContact OG-O 3.44Å |
| 205 | K | 94.7 | Very high | 93.1 | Very high | 88 Ų | 88 | 54.1 Ų | 54.1 | 38% | 0.383 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 176.4 | -76.8 | 179.4 | 175.1 | 169.7 | 0 | 112.3 | L201 T202 L203 R207 L208 I209 V310 | L201-K205 HydrophobicContact CD1-CD 4.13Å; L201-K205 HydrophobicContact CD1-CG 4.26Å; L201-K205 HydrophobicContact CG-CD 4.1Å; L201-K205 WeakPolarHBondContact O-CB 3.34Å; L201-K205 WeakPolarHBondContact O-CG 3.36Å; L201-K205 PolarHBondContact O-N 2.83Å; T202-K205 PolarHBondContact O-N 3.35Å; L203-K205 PolarHBondContact O-N 3.22Å; K205-R207 VanDerWaalsContact C-N 3.33Å; K205-R207 PolarHBondContact O-N 2.1Å; K205-L208 PolarHBondContact O-N 3.03Å; K205-I209 WeakPolarHBondContact O-CB 3.36Å; K205-I209 VanDerWaalsContact O-CG1 3.27Å; K205-I209 WeakPolarHBondContact O-CG1 3.36Å; K205-I209 PolarHBondContact O-N 3.46Å; K205-V310 HydrophobicContact CG-CG2 4.35Å |
| 206 | V | 94.3 | Very high | 93.5 | Very high | 23 Ų | 23 | 54.6 Ų | 54.6 | 14% | 0.139 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.9 | -47.7 | 175.4 | 164.1 | 0 | 0 | 0 | 0 | 110.4 | M115 L168 T202 L203 I209 F210 | M115-V206 HydrophobicContact CE-CG1 4.38Å; L168-V206 HydrophobicContact CD1-CG1 3.67Å; T202-V206 HydrophobicContact CG2-CG2 4.47Å; T202-V206 WeakPolarHBondContact O-CB 3.49Å; T202-V206 VanDerWaalsContact O-CG2 3.26Å; T202-V206 WeakPolarHBondContact O-CG2 3.43Å; T202-V206 PolarHBondContact O-N 3.32Å; L203-V206 PolarHBondContact O-N 2.88Å; V206-I209 PolarHBondContact O-N 3.31Å; V206-F210 HydrophobicContact CG1-CD2 4.07Å; V206-F210 WeakPolarHBondContact O-CB 3.35Å; V206-F210 PolarHBondContact O-N 3.48Å |
| 207 | R | 95.8 | Very high | 93.9 | Very high | 28 Ų | 28 | 50.9 Ų | 50.9 | 11% | 0.106 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.2 | -47.6 | 176.3 | -71 | 176.4 | 166.4 | -179.1 | -9.9 | 111.1 | E114 M115 L203 S204 K205 I209 L211 L306 | E114-R207 IonicContact OE1-NH2 2.98Å; E114-R207 PolarHBondContact OE1-NH2 2.96Å; E114-R207 IonicContact OE2-NH2 3.96Å; E114-R207 PolarHBondContact OE2-NH2 3.47Å; M115-R207 HydrophobicContact CE-CG 4.02Å; M115-R207 HydrophobicContact SD-CG 3.82Å; M115-R207 PolarHBondContact SD-NE 2.96Å; L203-R207 HydrophobicContact CD1-CG 4.35Å; L203-R207 WeakPolarHBondContact O-CG 3.14Å; L203-R207 PolarHBondContact O-N 3.14Å; S204-R207 PolarHBondContact O-N 3.48Å; K205-R207 VanDerWaalsContact C-N 3.33Å; K205-R207 PolarHBondContact O-N 2.1Å; R207-I209 VanDerWaalsContact C-N 3.34Å; R207-I209 PolarHBondContact O-N 3.17Å; R207-L211 HydrophobicContact CB-CD1 4.17Å; R207-L211 HydrophobicContact CG-CD1 3.97Å; R207-L211 WeakPolarHBondContact O-CA 3.39Å; R207-L211 WeakPolarHBondContact O-CB 3.35Å; R207-L211 PolarHBondContact O-N 2.89Å; R207-L306 HydrophobicContact CB-CD2 3.66Å |
| 208 | L | 96.6 | Very high | 94.6 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 20% | 0.199 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 178.5 | -178.3 | 66.5 | 0 | 0 | 0 | 113 | S204 K205 F212 S213 L306 V310 | S204-L208 WeakPolarHBondContact O-CB 3.47Å; S204-L208 PolarHBondContact O-N 2.88Å; K205-L208 PolarHBondContact O-N 3.03Å; L208-F212 HydrophobicContact CD1-CD1 4.1Å; L208-F212 WeakPolarHBondContact O-CB 3.27Å; L208-S213 WeakPolarHBondContact O-CB 3.38Å; L208-S213 PolarHBondContact O-N 3.17Å; L208-S213 PolarHBondContact O-OG 3.36Å; L208-L306 HydrophobicContact CB-CB 4.4Å; L208-L306 HydrophobicContact CD1-CB 3.71Å; L208-V310 HydrophobicContact CB-CG2 4.29Å; L208-V310 HydrophobicContact CD2-CG2 4.02Å |
| 209 | I | 95.6 | Very high | 95.1 | Very high | 76 Ų | 76 | 46.6 Ų | 46.6 | 39% | 0.39 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -77.1 | -55.8 | -176.7 | -67.5 | 166.9 | 0 | 0 | 0 | 110.8 | K205 V206 R207 S213 I214 | K205-I209 WeakPolarHBondContact O-CB 3.36Å; K205-I209 VanDerWaalsContact O-CG1 3.27Å; K205-I209 WeakPolarHBondContact O-CG1 3.36Å; K205-I209 PolarHBondContact O-N 3.46Å; V206-I209 PolarHBondContact O-N 3.31Å; R207-I209 VanDerWaalsContact C-N 3.34Å; R207-I209 PolarHBondContact O-N 3.17Å; I209-S213 PolarHBondContact O-N 2.96Å; I209-I214 HydrophobicContact CG2-CD1 3.77Å; I209-I214 HydrophobicContact CG2-CG1 4.24Å; I209-I214 PolarHBondContact O-N 3.35Å |
| 210 | F | 94.6 | Very high | 95.3 | Very high | 88 Ų | 88 | 46.1 Ų | 46.1 | 39% | 0.386 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -84.5 | -30.8 | -170.5 | -71.7 | -77.8 | 0 | 0 | 0 | 113.6 | F123 V206 I214 P215 | F123-F210 WeakPolarHBondContact CE1-O 3.17Å; V206-F210 HydrophobicContact CG1-CD2 4.07Å; V206-F210 WeakPolarHBondContact O-CB 3.35Å; V206-F210 PolarHBondContact O-N 3.48Å; F210-I214 HydrophobicContact CD1-CD1 4.36Å; F210-I214 HydrophobicContact CE1-CD1 4.41Å; F210-P215 WeakPolarHBondContact O-CD 3.34Å; F210-P215 WeakPolarHBondContact O-CG 3.49Å |
| 211 | L | 95.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -98.5 | -2.4 | -178 | -48.6 | 179.9 | 0 | 0 | 0 | 112.8 | M115 Q118 A119 V122 V165 R207 | M115-L211 HydrophobicContact CE-CD1 4.35Å; M115-L211 HydrophobicContact SD-CD1 4.27Å; Q118-L211 HydrophobicContact CB-CD1 3.99Å; A119-L211 HydrophobicContact CB-CD2 3.74Å; V122-L211 HydrophobicContact CG2-CB 4.48Å; V122-L211 WeakPolarHBondContact CG2-O 3.29Å; V165-L211 HydrophobicContact CG1-CD2 4.29Å; R207-L211 HydrophobicContact CB-CD1 4.17Å; R207-L211 HydrophobicContact CG-CD1 3.97Å; R207-L211 WeakPolarHBondContact O-CA 3.39Å; R207-L211 WeakPolarHBondContact O-CB 3.35Å; R207-L211 PolarHBondContact O-N 2.89Å |
| 212 | F | 96.9 | Very high | 95.8 | Very high | 19 Ų | 19 | 46.2 Ų | 46.2 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -142.4 | -63 | 178.3 | 179.8 | -98 | 0 | 0 | 0 | 114 | L208 I214 P215 F216 F298 F299 W302 S303 L306 | L208-F212 HydrophobicContact CD1-CD1 4.1Å; L208-F212 WeakPolarHBondContact O-CB 3.27Å; F212-I214 PolarHBondContact O-N 2.95Å; F212-P215 WeakPolarHBondContact O-CD 3.45Å; F212-F216 HydrophobicContact CE2-CB 4.48Å; F212-F216 HydrophobicContact CE2-CG 4.42Å; F212-F216 HydrophobicContact CZ-CD1 4.34Å; F212-F216 HydrophobicContact CZ-CG 4.33Å; F212-F216 WeakPolarHBondContact O-CA 3.38Å; F212-F216 WeakPolarHBondContact O-CB 3.47Å; F212-F216 PolarHBondContact O-N 3.48Å; F212-F298 HydrophobicContact CD2-CD1 4.22Å; F212-F298 AromaticContact CD2-CE1 3.57Å; F212-F298 HydrophobicContact CD2-CE1 3.57Å; F212-F298 HydrophobicContact CD2-CZ 4.32Å; F212-F298 HydrophobicContact CE2-CD1 4.15Å; F212-F298 AromaticContact CE2-CE1 3.93Å; F212-F298 HydrophobicContact CE2-CE1 3.93Å; F212-F299 HydrophobicContact CE2-CD2 4.34Å; F212-F299 AromaticContact CZ-CD2 3.72Å; F212-F299 HydrophobicContact CZ-CD2 3.72Å; F212-F299 HydrophobicContact CZ-CE2 4.03Å; F212-W302 HydrophobicContact CD2-CB 3.9Å; F212-W302 HydrophobicContact CE2-CB 4.34Å; F212-S303 VanDerWaalsContact CZ-CB 3.46Å; F212-L306 HydrophobicContact CB-CD1 3.29Å; F212-L306 HydrophobicContact CD2-CD1 4.35Å; F212-L306 HydrophobicContact CG-CD1 3.92Å |
| 213 | S | 96.8 | Very high | 95.9 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -62.7 | -51.1 | -166.5 | -55.6 | 0 | 0 | 0 | 0 | 112.9 | L208 I209 A217 | L208-S213 WeakPolarHBondContact O-CB 3.38Å; L208-S213 PolarHBondContact O-N 3.17Å; L208-S213 PolarHBondContact O-OG 3.36Å; I209-S213 PolarHBondContact O-N 2.96Å; S213-A217 VanDerWaalsContact O-CB 3.28Å; S213-A217 WeakPolarHBondContact O-CB 3.36Å; S213-A217 PolarHBondContact O-N 2.89Å; S213-A217 VanDerWaalsContact O-N 3.09Å |
| 214 | I | 95.8 | Very high | 96 | Very high | 84 Ų | 84 | 45.3 Ų | 45.3 | 43% | 0.431 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.8 | -52 | 178.7 | -65 | 169.3 | 0 | 0 | 0 | 110.8 | I209 F210 F212 F216 A217 L218 | I209-I214 HydrophobicContact CG2-CD1 3.77Å; I209-I214 HydrophobicContact CG2-CG1 4.24Å; I209-I214 PolarHBondContact O-N 3.35Å; F210-I214 HydrophobicContact CD1-CD1 4.36Å; F210-I214 HydrophobicContact CE1-CD1 4.41Å; F212-I214 PolarHBondContact O-N 2.95Å; I214-F216 PolarHBondContact O-N 2.94Å; I214-A217 PolarHBondContact O-N 2.82Å; I214-L218 HydrophobicContact CG2-CD1 4.17Å; I214-L218 WeakPolarHBondContact O-CG 3.47Å; I214-L218 PolarHBondContact O-N 3.09Å; I214-L218 VanDerWaalsContact O-N 3.09Å |
| 215 | P | 96.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.019 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | -178.6 | -26.2 | 39 | 0 | 0 | 0 | 113.6 | V122 F123 A126 F210 F212 L218 M219 | V122-P215 HydrophobicContact CG1-CB 3.23Å; V122-P215 HydrophobicContact CG1-CG 3.36Å; F123-P215 HydrophobicContact CD1-CG 4.27Å; F123-P215 HydrophobicContact CE1-CG 4.15Å; A126-P215 HydrophobicContact CB-CB 4.46Å; F210-P215 WeakPolarHBondContact O-CD 3.34Å; F210-P215 WeakPolarHBondContact O-CG 3.49Å; F212-P215 WeakPolarHBondContact O-CD 3.45Å; P215-L218 PolarHBondContact O-N 3.35Å; P215-M219 WeakPolarHBondContact O-CB 3.4Å; P215-M219 VanDerWaalsContact O-CG 3.27Å; P215-M219 WeakPolarHBondContact O-CG 3.48Å; P215-M219 PolarHBondContact O-N 3.39Å |
| 216 | F | 97 | Very high | 96.1 | Very high | 37 Ų | 37 | 42.7 Ų | 42.7 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 177.8 | -175.4 | -111.9 | 0 | 0 | 0 | 111.5 | F212 I214 L218 M219 M220 L295 F298 F299 | F212-F216 HydrophobicContact CE2-CB 4.48Å; F212-F216 HydrophobicContact CE2-CG 4.42Å; F212-F216 HydrophobicContact CZ-CD1 4.34Å; F212-F216 HydrophobicContact CZ-CG 4.33Å; F212-F216 WeakPolarHBondContact O-CA 3.38Å; F212-F216 WeakPolarHBondContact O-CB 3.47Å; F212-F216 PolarHBondContact O-N 3.48Å; I214-F216 PolarHBondContact O-N 2.94Å; F216-L218 VanDerWaalsContact C-N 3.34Å; F216-L218 PolarHBondContact O-N 2.98Å; F216-M219 PolarHBondContact O-N 3.35Å; F216-M220 HydrophobicContact CD1-CG 4.14Å; F216-M220 HydrophobicContact CD2-CG 4.43Å; F216-M220 HydrophobicContact CE1-CG 3.77Å; F216-M220 HydrophobicContact CE1-SD 4.4Å; F216-M220 HydrophobicContact CE2-CG 4.1Å; F216-M220 HydrophobicContact CE2-SD 4.37Å; F216-M220 HydrophobicContact CG-CG 4.46Å; F216-M220 HydrophobicContact CZ-CG 3.76Å; F216-M220 HydrophobicContact CZ-SD 3.93Å; F216-M220 WeakPolarHBondContact O-CB 3.22Å; F216-M220 VanDerWaalsContact O-CG 3.3Å; F216-M220 WeakPolarHBondContact O-CG 3.21Å; F216-M220 PolarHBondContact O-N 3.36Å; F216-L295 HydrophobicContact CE2-CD2 4.37Å; F216-F298 HydrophobicContact CB-CD1 4.35Å; F216-F298 HydrophobicContact CB-CE1 3.98Å; F216-F298 AromaticContact CD2-CD1 3.63Å; F216-F298 HydrophobicContact CD2-CD1 3.63Å; F216-F298 HydrophobicContact CD2-CE1 4.14Å; F216-F298 HydrophobicContact CE2-CD1 4.42Å; F216-F298 HydrophobicContact CG-CD1 4.39Å; F216-F298 HydrophobicContact CG-CE1 4.49Å; F216-F299 AromaticContact CE1-CD2 3.86Å; F216-F299 HydrophobicContact CE1-CD2 3.86Å; F216-F299 HydrophobicContact CE1-CE2 4.47Å; F216-F299 HydrophobicContact CE2-CB 3.88Å; F216-F299 HydrophobicContact CE2-CD2 4.21Å; F216-F299 HydrophobicContact CZ-CB 4Å; F216-F299 AromaticContact CZ-CD2 3.65Å; F216-F299 HydrophobicContact CZ-CD2 3.65Å; F216-F299 HydrophobicContact CZ-CG 4.19Å |
| 217 | A | 97.5 | Very high | 96.1 | Very high | 53 Ų | 53 | 42.5 Ų | 42.5 | 44% | 0.438 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S213 I214 M220 V221 | S213-A217 VanDerWaalsContact O-CB 3.28Å; S213-A217 WeakPolarHBondContact O-CB 3.36Å; S213-A217 PolarHBondContact O-N 2.89Å; S213-A217 VanDerWaalsContact O-N 3.09Å; I214-A217 PolarHBondContact O-N 2.82Å; A217-M220 PolarHBondContact O-N 3.35Å; A217-V221 WeakPolarHBondContact O-CG2 3.35Å; A217-V221 PolarHBondContact O-N 3.44Å |
| 218 | L | 96.7 | Very high | 96.1 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 40% | 0.403 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 175.6 | -70.7 | 174.2 | 0 | 0 | 0 | 111.9 | I214 P215 F216 M220 V221 F222 | I214-L218 HydrophobicContact CG2-CD1 4.17Å; I214-L218 WeakPolarHBondContact O-CG 3.47Å; I214-L218 PolarHBondContact O-N 3.09Å; I214-L218 VanDerWaalsContact O-N 3.09Å; P215-L218 PolarHBondContact O-N 3.35Å; F216-L218 VanDerWaalsContact C-N 3.34Å; F216-L218 PolarHBondContact O-N 2.98Å; L218-M220 VanDerWaalsContact C-N 3.32Å; L218-M220 PolarHBondContact O-N 2.97Å; L218-V221 PolarHBondContact O-N 3.1Å; L218-F222 HydrophobicContact CB-CD2 4.36Å; L218-F222 HydrophobicContact CB-CE2 4.05Å; L218-F222 HydrophobicContact CD2-CE2 4.31Å; L218-F222 HydrophobicContact CD2-CZ 4.41Å; L218-F222 WeakPolarHBondContact O-CD2 3.48Å; L218-F222 WeakPolarHBondContact O-CG 3.29Å; L218-F222 PolarHBondContact O-N 2.89Å |
| 219 | M | 95.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 177.9 | -71.4 | 176.2 | 70.2 | 0 | 0 | 111.6 | Q125 A126 P215 F216 F222 Y223 V294 L295 | Q125-M219 HydrophobicContact CB-CE 4Å; Q125-M219 HydrophobicContact CB-SD 4.07Å; A126-M219 HydrophobicContact CB-CG 4.32Å; P215-M219 WeakPolarHBondContact O-CB 3.4Å; P215-M219 VanDerWaalsContact O-CG 3.27Å; P215-M219 WeakPolarHBondContact O-CG 3.48Å; P215-M219 PolarHBondContact O-N 3.39Å; F216-M219 PolarHBondContact O-N 3.35Å; M219-F222 PolarHBondContact O-N 3.38Å; M219-Y223 HydrophobicContact CE-CE2 4.03Å; M219-Y223 VanDerWaalsContact O-CB 3.31Å; M219-Y223 WeakPolarHBondContact O-CB 3.42Å; M219-Y223 PolarHBondContact O-N 3.42Å; M219-V294 HydrophobicContact CE-CG1 4.17Å; M219-L295 HydrophobicContact CB-CD2 3.72Å; M219-L295 HydrophobicContact CE-CD2 4.47Å |
| 220 | M | 97 | Very high | 95.6 | Very high | 93 Ų | 93 | 48.5 Ų | 48.5 | 46% | 0.458 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 175.6 | -79.6 | -68 | -69.1 | 0 | 0 | 111.9 | F216 A217 L218 G224 L295 | F216-M220 HydrophobicContact CD1-CG 4.14Å; F216-M220 HydrophobicContact CD2-CG 4.43Å; F216-M220 HydrophobicContact CE1-CG 3.77Å; F216-M220 HydrophobicContact CE1-SD 4.4Å; F216-M220 HydrophobicContact CE2-CG 4.1Å; F216-M220 HydrophobicContact CE2-SD 4.37Å; F216-M220 HydrophobicContact CG-CG 4.46Å; F216-M220 HydrophobicContact CZ-CG 3.76Å; F216-M220 HydrophobicContact CZ-SD 3.93Å; F216-M220 WeakPolarHBondContact O-CB 3.22Å; F216-M220 VanDerWaalsContact O-CG 3.3Å; F216-M220 WeakPolarHBondContact O-CG 3.21Å; F216-M220 PolarHBondContact O-N 3.36Å; A217-M220 PolarHBondContact O-N 3.35Å; L218-M220 VanDerWaalsContact C-N 3.32Å; L218-M220 PolarHBondContact O-N 2.97Å; M220-G224 VanDerWaalsContact O-CA 3.26Å; M220-G224 WeakPolarHBondContact O-CA 3.3Å; M220-G224 PolarHBondContact O-N 2.99Å; M220-L295 HydrophobicContact CG-CD2 4.29Å; M220-L295 HydrophobicContact SD-CD1 3.79Å; M220-L295 HydrophobicContact SD-CD2 4.07Å; M220-L295 HydrophobicContact SD-CG 4.37Å |
| 221 | V | 97.5 | Very high | 95.5 | Very high | 90 Ų | 90 | 51.2 Ų | 51.2 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.9 | -50.6 | 176.8 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | A217 L218 T225 | A217-V221 WeakPolarHBondContact O-CG2 3.35Å; A217-V221 PolarHBondContact O-N 3.44Å; L218-V221 PolarHBondContact O-N 3.1Å; V221-T225 WeakPolarHBondContact O-CB 3.33Å; V221-T225 PolarHBondContact O-N 3.09Å; V221-T225 PolarHBondContact O-OG1 3.12Å |
| 222 | F | 96.6 | Very high | 95.3 | Very high | 38 Ų | 38 | 56.8 Ų | 56.8 | 17% | 0.167 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.2 | -54.7 | -176.6 | -65.4 | -41.1 | 0 | 0 | 0 | 112 | S129 F130 F133 L218 M219 T225 V226 | S129-F222 WeakPolarHBondContact OG-CD2 3.36Å; F130-F222 HydrophobicContact CB-CD2 4.12Å; F130-F222 HydrophobicContact CB-CE2 3.92Å; F130-F222 HydrophobicContact CB-CZ 4.33Å; F130-F222 HydrophobicContact CD2-CD1 4.25Å; F130-F222 AromaticContact CD2-CE1 3.69Å; F130-F222 HydrophobicContact CD2-CE1 3.69Å; F130-F222 HydrophobicContact CD2-CE2 4.03Å; F130-F222 AromaticContact CD2-CZ 3.56Å; F130-F222 HydrophobicContact CD2-CZ 3.56Å; F130-F222 HydrophobicContact CE2-CE1 4.28Å; F130-F222 HydrophobicContact CE2-CZ 4.29Å; F130-F222 HydrophobicContact CG-CE2 4.38Å; F130-F222 HydrophobicContact CG-CZ 4.31Å; F133-F222 HydrophobicContact CB-CB 4.04Å; F133-F222 HydrophobicContact CB-CD1 4.04Å; F133-F222 HydrophobicContact CB-CG 4.28Å; F133-F222 HydrophobicContact CD1-CD1 4.13Å; F133-F222 HydrophobicContact CD1-CE1 4.43Å; F133-F222 HydrophobicContact CD2-CD1 4.32Å; F133-F222 AromaticContact CG-CD1 3.89Å; F133-F222 HydrophobicContact CG-CD1 3.89Å; L218-F222 HydrophobicContact CB-CD2 4.36Å; L218-F222 HydrophobicContact CB-CE2 4.05Å; L218-F222 HydrophobicContact CD2-CE2 4.31Å; L218-F222 HydrophobicContact CD2-CZ 4.41Å; L218-F222 WeakPolarHBondContact O-CD2 3.48Å; L218-F222 WeakPolarHBondContact O-CG 3.29Å; L218-F222 PolarHBondContact O-N 2.89Å; M219-F222 PolarHBondContact O-N 3.38Å; F222-T225 PolarHBondContact O-N 3.01Å; F222-V226 VanDerWaalsContact O-CG2 3.3Å; F222-V226 WeakPolarHBondContact O-CG2 3.4Å; F222-V226 PolarHBondContact O-N 3.38Å |
| 223 | Y | 95.4 | Very high | 94.8 | Very high | 16 Ų | 16 | 57.4 Ų | 57.4 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.8 | -32.5 | -179.8 | -72.1 | -27.6 | 0 | 0 | 0 | 113.2 | S129 R132 M219 T225 V226 C227 L291 V294 L295 | S129-Y223 VanDerWaalsContact CB-CE1 3.45Å; R132-Y223 HydrophobicContact CB-CE1 3.96Å; R132-Y223 HydrophobicContact CG-CE1 4.08Å; M219-Y223 HydrophobicContact CE-CE2 4.03Å; M219-Y223 VanDerWaalsContact O-CB 3.31Å; M219-Y223 WeakPolarHBondContact O-CB 3.42Å; M219-Y223 PolarHBondContact O-N 3.42Å; Y223-T225 VanDerWaalsContact C-N 3.33Å; Y223-T225 PolarHBondContact O-N 3.4Å; Y223-V226 PolarHBondContact O-N 3.16Å; Y223-C227 WeakPolarHBondContact O-CB 3.44Å; Y223-C227 PolarHBondContact O-N 3.39Å; Y223-C227 PolarHBondContact O-SG 3.49Å; Y223-L291 HydrophobicContact CD1-CD1 3.98Å; Y223-L291 HydrophobicContact CD1-CD2 3.76Å; Y223-L291 HydrophobicContact CD1-CG 4.29Å; Y223-L291 HydrophobicContact CD2-CD2 4.49Å; Y223-L291 HydrophobicContact CE1-CD1 4.43Å; Y223-L291 HydrophobicContact CE1-CD2 3.48Å; Y223-L291 VanDerWaalsContact CE1-CD2 3.48Å; Y223-L291 HydrophobicContact CE1-CG 4.47Å; Y223-L291 HydrophobicContact CE2-CD2 4.26Å; Y223-L291 HydrophobicContact CG-CB 4.35Å; Y223-L291 HydrophobicContact CG-CD2 4.26Å; Y223-V294 HydrophobicContact CE2-CG1 4.12Å; Y223-L295 HydrophobicContact CD2-CD1 4.33Å; Y223-L295 HydrophobicContact CD2-CD2 3.98Å; Y223-L295 HydrophobicContact CD2-CG 3.94Å |
| 224 | G | 96.1 | Very high | 94.2 | Very high | 36 Ų | 36 | 55.9 Ų | 55.9 | 37% | 0.371 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M220 C227 W228 | M220-G224 VanDerWaalsContact O-CA 3.26Å; M220-G224 WeakPolarHBondContact O-CA 3.3Å; M220-G224 PolarHBondContact O-N 2.99Å; G224-C227 PolarHBondContact O-N 3.25Å; G224-W228 WeakPolarHBondContact O-CB 3.44Å; G224-W228 PolarHBondContact O-N 2.99Å |
| 225 | T | 96.5 | Very high | 93.6 | Very high | 48 Ų | 48 | 55 Ų | 55 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 177.4 | -52.6 | 0 | 0 | 0 | 0 | 112.1 | F133 V137 V221 F222 Y223 W228 R229 | F133-T225 HydrophobicContact CD2-CG2 4.21Å; F133-T225 HydrophobicContact CE2-CG2 3.79Å; V137-T225 HydrophobicContact CG2-CG2 4.29Å; V221-T225 WeakPolarHBondContact O-CB 3.33Å; V221-T225 PolarHBondContact O-N 3.09Å; V221-T225 PolarHBondContact O-OG1 3.12Å; F222-T225 PolarHBondContact O-N 3.01Å; Y223-T225 VanDerWaalsContact C-N 3.33Å; Y223-T225 PolarHBondContact O-N 3.4Å; T225-W228 PolarHBondContact O-N 3.14Å; T225-R229 VanDerWaalsContact O-CB 3.31Å; T225-R229 WeakPolarHBondContact O-CB 3.23Å; T225-R229 PolarHBondContact O-N 3.21Å |
| 226 | V | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 174.6 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | F133 I136 V137 F222 Y223 W228 R229 L230 L291 | F133-V226 HydrophobicContact CB-CG2 4.14Å; I136-V226 HydrophobicContact CB-CG1 4.43Å; I136-V226 HydrophobicContact CD1-CG1 3.68Å; I136-V226 HydrophobicContact CG2-CG1 4.25Å; V137-V226 HydrophobicContact CG2-CG2 4.18Å; F222-V226 VanDerWaalsContact O-CG2 3.3Å; F222-V226 WeakPolarHBondContact O-CG2 3.4Å; F222-V226 PolarHBondContact O-N 3.38Å; Y223-V226 PolarHBondContact O-N 3.16Å; V226-W228 PolarHBondContact O-N 2.86Å; V226-R229 PolarHBondContact O-N 3.34Å; V226-L230 HydrophobicContact CG1-CD1 3.83Å; V226-L230 HydrophobicContact CG1-CG 4.35Å; V226-L230 WeakPolarHBondContact O-CB 3.46Å; V226-L230 VanDerWaalsContact O-CG 3.31Å; V226-L230 WeakPolarHBondContact O-CG 3.27Å; V226-L230 PolarHBondContact O-N 3.44Å; V226-L291 HydrophobicContact CB-CD1 4.17Å; V226-L291 HydrophobicContact CG1-CD1 3.46Å; V226-L291 VanDerWaalsContact CG1-CD1 3.46Å |
| 227 | C | 94.5 | Very high | 92 | Very high | 18 Ų | 18 | 63.8 Ų | 63.8 | 12% | 0.122 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 179.7 | -69.9 | 0 | 0 | 0 | 0 | 111.2 | Y223 G224 R229 L230 W231 I288 | Y223-C227 WeakPolarHBondContact O-CB 3.44Å; Y223-C227 PolarHBondContact O-N 3.39Å; Y223-C227 PolarHBondContact O-SG 3.49Å; G224-C227 PolarHBondContact O-N 3.25Å; C227-R229 PolarHBondContact O-N 2.83Å; C227-L230 PolarHBondContact O-N 3.1Å; C227-W231 VanDerWaalsContact O-CB 3.22Å; C227-W231 WeakPolarHBondContact O-CB 3.4Å; C227-W231 PolarHBondContact O-N 2.88Å; C227-I288 HydrophobicContact CB-CG2 4.18Å |
| 228 | W | 95.4 | Very high | 90.8 | Very high | 142 Ų | 142 | 62.9 Ų | 62.9 | 54% | 0.538 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.5 | -46 | 176.8 | 177.4 | 85.2 | 0 | 0 | 0 | 112.2 | G224 T225 V226 W231 R232 | G224-W228 WeakPolarHBondContact O-CB 3.44Å; G224-W228 PolarHBondContact O-N 2.99Å; T225-W228 PolarHBondContact O-N 3.14Å; V226-W228 PolarHBondContact O-N 2.86Å; W228-W231 PolarHBondContact O-N 3.37Å; W228-R232 VanDerWaalsContact CH2-NH1 3.33Å; W228-R232 WeakPolarHBondContact O-CB 3.45Å; W228-R232 PolarHBondContact O-N 3.05Å |
| 229 | R | 93.2 | Very high | 89.7 | Confident | 109 Ų | 109 | 63.4 Ų | 63.4 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 179.8 | -174.9 | 65.1 | 175.8 | -169.7 | 1.1 | 111.5 | V137 T225 V226 C227 T233 | V137-R229 HydrophobicContact CG2-CB 4.3Å; V137-R229 HydrophobicContact CG2-CG 4.42Å; T225-R229 VanDerWaalsContact O-CB 3.31Å; T225-R229 WeakPolarHBondContact O-CB 3.23Å; T225-R229 PolarHBondContact O-N 3.21Å; V226-R229 PolarHBondContact O-N 3.34Å; C227-R229 PolarHBondContact O-N 2.83Å; R229-T233 PolarHBondContact O-N 3.3Å; R229-T233 PolarHBondContact O-OG1 3.38Å |
| 230 | L | 89.8 | Confident | 88.5 | Confident | 17 Ų | 17 | 67.1 Ų | 67.1 | 9% | 0.089 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 177.7 | -72.5 | 175.7 | 0 | 0 | 0 | 111.3 | I136 V226 C227 T233 C234 R284 V287 I288 | I136-L230 HydrophobicContact CG2-CD1 4.45Å; I136-L230 HydrophobicContact CG2-CD2 3.71Å; I136-L230 HydrophobicContact CG2-CG 3.93Å; V226-L230 HydrophobicContact CG1-CD1 3.83Å; V226-L230 HydrophobicContact CG1-CG 4.35Å; V226-L230 WeakPolarHBondContact O-CB 3.46Å; V226-L230 VanDerWaalsContact O-CG 3.31Å; V226-L230 WeakPolarHBondContact O-CG 3.27Å; V226-L230 PolarHBondContact O-N 3.44Å; C227-L230 PolarHBondContact O-N 3.1Å; L230-T233 PolarHBondContact O-N 2.98Å; L230-C234 PolarHBondContact O-N 3.05Å; L230-C234 PolarHBondContact O-SG 3.47Å; L230-C234 VanDerWaalsContact O-SG 3.35Å; L230-R284 HydrophobicContact CD2-CG 4.25Å; L230-V287 HydrophobicContact CD1-CB 4.49Å; L230-V287 HydrophobicContact CD1-CG1 4.07Å; L230-I288 HydrophobicContact CB-CD1 3.72Å; L230-I288 HydrophobicContact CB-CG1 3.83Å; L230-I288 HydrophobicContact CD1-CG1 3.93Å |
| 231 | W | 91.7 | Very high | 87.2 | Confident | 146 Ų | 146 | 64.8 Ų | 64.8 | 55% | 0.553 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.9 | -54.1 | 178.5 | -175.5 | -93.3 | 0 | 0 | 0 | 111.4 | C227 W228 T233 C234 T235 I288 | C227-W231 VanDerWaalsContact O-CB 3.22Å; C227-W231 WeakPolarHBondContact O-CB 3.4Å; C227-W231 PolarHBondContact O-N 2.88Å; W228-W231 PolarHBondContact O-N 3.37Å; W231-T233 PolarHBondContact O-N 3.34Å; W231-C234 WeakPolarHBondContact O-CB 3.42Å; W231-C234 PolarHBondContact O-N 2.87Å; W231-T235 PolarHBondContact O-N 2.8Å; W231-T235 PolarHBondContact O-OG1 3.31Å; W231-I288 HydrophobicContact CB-CD1 4.28Å; W231-I288 HydrophobicContact CE3-CD1 4.29Å |
| 232 | R | 91.1 | Very high | 85.8 | Confident | 117 Ų | 117 | 67.5 Ų | 67.5 | 44% | 0.442 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -55 | -42.2 | 179.8 | -174.7 | 177.6 | 179.4 | -179.6 | 1.4 | 111.8 | W228 T235 Q236 | W228-R232 VanDerWaalsContact CH2-NH1 3.33Å; W228-R232 WeakPolarHBondContact O-CB 3.45Å; W228-R232 PolarHBondContact O-N 3.05Å; R232-T235 PolarHBondContact O-N 3.32Å; R232-Q236 WeakPolarHBondContact O-CG 3.47Å; R232-Q236 PolarHBondContact O-N 2.88Å |
| 233 | T | 86.7 | Confident | 84.5 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 179.3 | -46.4 | 0 | 0 | 0 | 0 | 111.2 | R229 L230 W231 T235 Q236 Y237 | R229-T233 PolarHBondContact O-N 3.3Å; R229-T233 PolarHBondContact O-OG1 3.38Å; L230-T233 PolarHBondContact O-N 2.98Å; W231-T233 PolarHBondContact O-N 3.34Å; T233-T235 PolarHBondContact O-N 3.33Å; T233-Q236 PolarHBondContact O-N 3.48Å; T233-Y237 HydrophobicContact CG2-CD2 3.95Å; T233-Y237 HydrophobicContact CG2-CE2 3.69Å; T233-Y237 WeakPolarHBondContact O-CD2 3.43Å; T233-Y237 PolarHBondContact O-N 2.9Å; T233-Y237 VanDerWaalsContact O-N 3.14Å |
| 234 | C | 84 | Confident | 83 | Confident | 17 Ų | 17 | 77.6 Ų | 77.6 | 12% | 0.115 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 175.2 | -71.4 | 0 | 0 | 0 | 0 | 112.5 | L230 W231 Y237 G238 I281 R284 | L230-C234 PolarHBondContact O-N 3.05Å; L230-C234 PolarHBondContact O-SG 3.47Å; L230-C234 VanDerWaalsContact O-SG 3.35Å; W231-C234 WeakPolarHBondContact O-CB 3.42Å; W231-C234 PolarHBondContact O-N 2.87Å; C234-Y237 PolarHBondContact O-N 3.39Å; C234-G238 PolarHBondContact O-N 3.2Å; C234-I281 HydrophobicContact CB-CG2 4.27Å; C234-R284 VanDerWaalsContact SG-CD 3.53Å |
| 235 | T | 84.1 | Confident | 81.6 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 41% | 0.411 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 177.5 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | W231 R232 T233 Y237 G238 V239 | W231-T235 PolarHBondContact O-N 2.8Å; W231-T235 PolarHBondContact O-OG1 3.31Å; R232-T235 PolarHBondContact O-N 3.32Å; T233-T235 PolarHBondContact O-N 3.33Å; T235-Y237 PolarHBondContact O-N 2.83Å; T235-G238 PolarHBondContact O-N 3.2Å; T235-V239 WeakPolarHBondContact O-CG2 3.22Å; T235-V239 PolarHBondContact O-N 3.45Å |
| 236 | Q | 82.7 | Confident | 80 | Confident | 105 Ų | 105 | 79.7 Ų | 79.7 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 178 | -76 | 178 | -30.5 | 0 | 0 | 112.9 | R232 T233 T240 | R232-Q236 WeakPolarHBondContact O-CG 3.47Å; R232-Q236 PolarHBondContact O-N 2.88Å; T233-Q236 PolarHBondContact O-N 3.48Å; Q236-T240 PolarHBondContact O-N 3.23Å; Q236-T240 PolarHBondContact O-OG1 2.99Å |
| 237 | Y | 75.8 | Confident | 78.7 | Confident | 119 Ų | 119 | 87.3 Ų | 87.3 | 47% | 0.467 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 173.7 | -83.3 | -71.2 | 0 | 0 | 0 | 112.2 | T233 C234 T235 V239 T240 Q241 | T233-Y237 HydrophobicContact CG2-CD2 3.95Å; T233-Y237 HydrophobicContact CG2-CE2 3.69Å; T233-Y237 WeakPolarHBondContact O-CD2 3.43Å; T233-Y237 PolarHBondContact O-N 2.9Å; T233-Y237 VanDerWaalsContact O-N 3.14Å; C234-Y237 PolarHBondContact O-N 3.39Å; T235-Y237 PolarHBondContact O-N 2.83Å; Y237-V239 PolarHBondContact O-N 2.95Å; Y237-T240 WeakPolarHBondContact CA-OG1 3.28Å; Y237-T240 PolarHBondContact O-OG1 3.4Å; Y237-T240 VanDerWaalsContact O-OG1 3.1Å; Y237-Q241 VanDerWaalsContact O-CB 3.3Å; Y237-Q241 WeakPolarHBondContact O-CB 3.37Å; Y237-Q241 PolarHBondContact O-N 3.14Å |
| 238 | G | 72.4 | Confident | 77.3 | Confident | 34 Ų | 34 | 91 Ų | 91 | 35% | 0.351 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60 | -46 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C234 T235 Q241 F242 | C234-G238 PolarHBondContact O-N 3.2Å; T235-G238 PolarHBondContact O-N 3.2Å; G238-Q241 PolarHBondContact O-N 3.14Å; G238-F242 WeakPolarHBondContact O-CB 3.41Å; G238-F242 PolarHBondContact O-N 3.36Å |
| 239 | V | 74.1 | Confident | 75.8 | Confident | 88 Ų | 88 | 87.8 Ų | 87.8 | 53% | 0.533 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.5 | -51 | 178.8 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | T235 Y237 Q241 F242 S243 | T235-V239 WeakPolarHBondContact O-CG2 3.22Å; T235-V239 PolarHBondContact O-N 3.45Å; Y237-V239 PolarHBondContact O-N 2.95Å; V239-Q241 VanDerWaalsContact C-N 3.27Å; V239-Q241 PolarHBondContact O-N 3.5Å; V239-F242 PolarHBondContact O-N 2.91Å; V239-F242 VanDerWaalsContact O-N 3.15Å; V239-S243 PolarHBondContact O-N 2.82Å; V239-S243 PolarHBondContact O-OG 2.95Å |
| 240 | T | 71.1 | Confident | 74.5 | Confident | 78 Ų | 78 | 85.3 Ų | 85.3 | 48% | 0.479 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.4 | -36.1 | -179.4 | 40.8 | 0 | 0 | 0 | 0 | 112.8 | Q236 Y237 R244 | Q236-T240 PolarHBondContact O-N 3.23Å; Q236-T240 PolarHBondContact O-OG1 2.99Å; Y237-T240 WeakPolarHBondContact CA-OG1 3.28Å; Y237-T240 PolarHBondContact O-OG1 3.4Å; Y237-T240 VanDerWaalsContact O-OG1 3.1Å; T240-R244 WeakPolarHBondContact O-CG 3.22Å; T240-R244 PolarHBondContact O-N 3.48Å; T240-R244 VanDerWaalsContact O-N 3.09Å |
| 241 | Q | 69.6 | Low | 73.4 | Confident | 43 Ų | 43 | 87.2 Ų | 87.2 | 20% | 0.201 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -71 | -41.4 | 176.2 | -170.5 | 176.9 | -25.4 | 0 | 0 | 112.2 | Y237 G238 V239 R244 L245 | Y237-Q241 VanDerWaalsContact O-CB 3.3Å; Y237-Q241 WeakPolarHBondContact O-CB 3.37Å; Y237-Q241 PolarHBondContact O-N 3.14Å; G238-Q241 PolarHBondContact O-N 3.14Å; V239-Q241 VanDerWaalsContact C-N 3.27Å; V239-Q241 PolarHBondContact O-N 3.5Å; Q241-R244 PolarHBondContact O-N 2.89Å; Q241-L245 HydrophobicContact CG-CD1 4.13Å; Q241-L245 WeakPolarHBondContact O-CD1 3.24Å; Q241-L245 PolarHBondContact O-N 3.44Å |
| 242 | F | 68.1 | Low | 72.2 | Confident | 148 Ų | 148 | 83.4 Ų | 83.4 | 65% | 0.649 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.5 | -42.1 | 174.6 | -175.4 | -96.8 | 0 | 0 | 0 | 111.8 | G238 V239 R244 L245 S246 | G238-F242 WeakPolarHBondContact O-CB 3.41Å; G238-F242 PolarHBondContact O-N 3.36Å; V239-F242 PolarHBondContact O-N 2.91Å; V239-F242 VanDerWaalsContact O-N 3.15Å; F242-R244 VanDerWaalsContact C-N 3.35Å; F242-R244 PolarHBondContact O-N 3.44Å; F242-L245 PolarHBondContact O-N 3.48Å; F242-S246 PolarHBondContact O-N 3.48Å; F242-S246 PolarHBondContact O-OG 3.05Å |
| 243 | S | 67.8 | Low | 71 | Confident | 64 Ų | 64 | 82.3 Ų | 82.3 | 45% | 0.448 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 173.9 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | V239 S246 Y247 | V239-S243 PolarHBondContact O-N 2.82Å; V239-S243 PolarHBondContact O-OG 2.95Å; S243-S246 PolarHBondContact O-N 2.97Å; S243-Y247 VanDerWaalsContact O-CB 3.31Å; S243-Y247 WeakPolarHBondContact O-CB 3.47Å; S243-Y247 PolarHBondContact O-N 2.71Å |
| 244 | R | 65.1 | Low | 70.1 | Confident | 202 Ų | 202 | 91.8 Ų | 91.8 | 76% | 0.762 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.7 | -40.5 | 176.3 | -77.7 | -174.1 | -174.9 | -169.6 | 2.3 | 112.8 | T240 Q241 F242 H248 | T240-R244 WeakPolarHBondContact O-CG 3.22Å; T240-R244 PolarHBondContact O-N 3.48Å; T240-R244 VanDerWaalsContact O-N 3.09Å; Q241-R244 PolarHBondContact O-N 2.89Å; F242-R244 VanDerWaalsContact C-N 3.35Å; F242-R244 PolarHBondContact O-N 3.44Å; R244-H248 WeakPolarHBondContact O-CB 3.46Å; R244-H248 PolarHBondContact O-N 2.91Å |
| 245 | L | 65.8 | Low | 69.3 | Low | 77 Ų | 77 | 95.2 Ų | 95.2 | 40% | 0.403 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 176.7 | -101.4 | 103.1 | 0 | 0 | 0 | 111.8 | Q241 F242 Y247 H248 S249 | Q241-L245 HydrophobicContact CG-CD1 4.13Å; Q241-L245 WeakPolarHBondContact O-CD1 3.24Å; Q241-L245 PolarHBondContact O-N 3.44Å; F242-L245 PolarHBondContact O-N 3.48Å; L245-Y247 VanDerWaalsContact C-N 3.33Å; L245-Y247 PolarHBondContact O-N 2.99Å; L245-H248 PolarHBondContact O-N 3.39Å; L245-S249 PolarHBondContact O-N 3.37Å |
| 246 | S | 63.8 | Low | 68.7 | Low | 51 Ų | 51 | 94.8 Ų | 94.8 | 36% | 0.357 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 177 | -69.2 | 0 | 0 | 0 | 0 | 111.1 | F242 S243 H248 S249 S250 | F242-S246 PolarHBondContact O-N 3.48Å; F242-S246 PolarHBondContact O-OG 3.05Å; S243-S246 PolarHBondContact O-N 2.97Å; S246-H248 PolarHBondContact O-N 3.34Å; S246-S249 PolarHBondContact O-N 3.37Å; S246-S249 PolarHBondContact O-OG 3.35Å; S246-S250 PolarHBondContact O-N 2.87Å |
| 247 | Y | 65 | Low | 68.1 | Low | 160 Ų | 160 | 96 Ų | 96 | 63% | 0.627 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.3 | -48.3 | 175.9 | -174.6 | -106.7 | 0 | 0 | 0 | 112.2 | S243 L245 S249 S250 I251 | S243-Y247 VanDerWaalsContact O-CB 3.31Å; S243-Y247 WeakPolarHBondContact O-CB 3.47Å; S243-Y247 PolarHBondContact O-N 2.71Å; L245-Y247 VanDerWaalsContact C-N 3.33Å; L245-Y247 PolarHBondContact O-N 2.99Å; Y247-S249 VanDerWaalsContact C-N 3.33Å; Y247-S249 PolarHBondContact O-N 2.95Å; Y247-S250 PolarHBondContact O-N 3.26Å; Y247-S250 PolarHBondContact O-OG 3.24Å; Y247-I251 HydrophobicContact CD1-CD1 3.76Å; Y247-I251 HydrophobicContact CE1-CD1 3.2Å; Y247-I251 HydrophobicContact CE1-CG1 4.34Å; Y247-I251 HydrophobicContact CE2-CD1 4.16Å; Y247-I251 HydrophobicContact CG-CD1 4.45Å; Y247-I251 VanDerWaalsContact CZ-CD1 3.43Å; Y247-I251 PolarHBondContact O-N 2.9Å; Y247-I251 VanDerWaalsContact O-N 3.07Å |
| 248 | H | 66 | Low | 68 | Low | 95 Ų | 95 | 93.2 Ų | 93.2 | 44% | 0.44 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.5 | -36.2 | 179.5 | -158.7 | -61.6 | 0 | 0 | 0 | 112.3 | R244 L245 S246 S250 I251 E252 | R244-H248 WeakPolarHBondContact O-CB 3.46Å; R244-H248 PolarHBondContact O-N 2.91Å; L245-H248 PolarHBondContact O-N 3.39Å; S246-H248 PolarHBondContact O-N 3.34Å; H248-S250 VanDerWaalsContact C-N 3.33Å; H248-I251 PolarHBondContact O-N 3.09Å; H248-E252 IonicContact CE1-OE2 3.57Å; H248-E252 IonicContact ND1-OE2 3.87Å; H248-E252 WeakPolarHBondContact O-CB 3.37Å; H248-E252 PolarHBondContact O-N 3.39Å |
| 249 | S | 64.2 | Low | 67.9 | Low | 75 Ų | 75 | 96.5 Ų | 96.5 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 175.1 | 74.3 | 0 | 0 | 0 | 0 | 112.3 | L245 S246 Y247 E252 S253 | L245-S249 PolarHBondContact O-N 3.37Å; S246-S249 PolarHBondContact O-N 3.37Å; S246-S249 PolarHBondContact O-OG 3.35Å; Y247-S249 VanDerWaalsContact C-N 3.33Å; Y247-S249 PolarHBondContact O-N 2.95Å; S249-E252 PolarHBondContact O-N 3.49Å; S249-S253 WeakPolarHBondContact O-CB 3.25Å; S249-S253 PolarHBondContact O-N 3.29Å |
| 250 | S | 65.1 | Low | 67.6 | Low | 57 Ų | 57 | 98.4 Ų | 98.4 | 40% | 0.399 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.3 | -37.1 | 178.5 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | S246 Y247 H248 R254 | S246-S250 PolarHBondContact O-N 2.87Å; Y247-S250 PolarHBondContact O-N 3.26Å; Y247-S250 PolarHBondContact O-OG 3.24Å; H248-S250 VanDerWaalsContact C-N 3.33Å; S250-R254 PolarHBondContact O-N 2.69Å |
| 251 | I | 66.9 | Low | 67.4 | Low | 57 Ų | 57 | 101.5 Ų | 101.5 | 29% | 0.292 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.2 | -45 | 174.5 | -70.1 | 176 | 0 | 0 | 0 | 110.6 | Y247 H248 S253 R254 R255 | Y247-I251 HydrophobicContact CD1-CD1 3.76Å; Y247-I251 HydrophobicContact CE1-CD1 3.2Å; Y247-I251 HydrophobicContact CE1-CG1 4.34Å; Y247-I251 HydrophobicContact CE2-CD1 4.16Å; Y247-I251 HydrophobicContact CG-CD1 4.45Å; Y247-I251 VanDerWaalsContact CZ-CD1 3.43Å; Y247-I251 PolarHBondContact O-N 2.9Å; Y247-I251 VanDerWaalsContact O-N 3.07Å; H248-I251 PolarHBondContact O-N 3.09Å; I251-S253 PolarHBondContact O-N 2.96Å; I251-R254 PolarHBondContact O-N 2.98Å; I251-R255 PolarHBondContact O-N 3.25Å; I251-R255 VanDerWaalsContact O-N 3.09Å |
| 252 | E | 66.1 | Low | 67.4 | Low | 65 Ų | 65 | 106.5 Ų | 106.5 | 30% | 0.304 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -34.7 | -179.9 | -156.6 | 70.6 | -160.2 | 0 | 0 | 111.4 | H248 S249 R254 R255 R260 | H248-E252 IonicContact CE1-OE2 3.57Å; H248-E252 IonicContact ND1-OE2 3.87Å; H248-E252 WeakPolarHBondContact O-CB 3.37Å; H248-E252 PolarHBondContact O-N 3.39Å; S249-E252 PolarHBondContact O-N 3.49Å; E252-R254 VanDerWaalsContact C-N 3.32Å; E252-R254 PolarHBondContact O-N 3.42Å; E252-R255 PolarHBondContact O-N 3.36Å; E252-R255 IonicContact OE2-NH1 3.01Å; E252-R255 PolarHBondContact OE2-NH1 3.25Å; E252-R260 PolarHBondContact O-NE 3.23Å; E252-R260 PolarHBondContact O-NH2 2.98Å; E252-R260 VanDerWaalsContact O-NH2 3.14Å |
| 253 | S | 67.3 | Low | 67.3 | Low | 94 Ų | 94 | 101.3 Ų | 101.3 | 66% | 0.657 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -29.5 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 113.5 | S249 I251 | S249-S253 WeakPolarHBondContact O-CB 3.25Å; S249-S253 PolarHBondContact O-N 3.29Å; I251-S253 PolarHBondContact O-N 2.96Å |
| 254 | R | 67.1 | Low | 66.9 | Low | 231 Ų | 231 | 103.4 Ų | 103.4 | 87% | 0.872 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -87.6 | -16.3 | 178.7 | -74.7 | -174 | -179.2 | -158.3 | 0.5 | 113.6 | S250 I251 E252 S256 | S250-R254 PolarHBondContact O-N 2.69Å; I251-R254 PolarHBondContact O-N 2.98Å; E252-R254 VanDerWaalsContact C-N 3.32Å; E252-R254 PolarHBondContact O-N 3.42Å; R254-S256 PolarHBondContact O-N 3.48Å |
| 255 | R | 67.5 | Low | 66.5 | Low | 89 Ų | 89 | 104.5 Ų | 104.5 | 34% | 0.336 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -67.8 | 129.4 | 177.4 | -83.9 | -179.6 | 172 | 152.2 | -4.9 | 111.6 | I251 E252 E259 R260 | I251-R255 PolarHBondContact O-N 3.25Å; I251-R255 VanDerWaalsContact O-N 3.09Å; E252-R255 PolarHBondContact O-N 3.36Å; E252-R255 IonicContact OE2-NH1 3.01Å; E252-R255 PolarHBondContact OE2-NH1 3.25Å; R255-E259 WeakPolarHBondContact CA-OE2 3.37Å; R255-E259 HydrophobicContact CB-CB 4.38Å; R255-E259 HydrophobicContact CG-CB 4.37Å; R255-R260 HydrophobicContact CB-CG 4.12Å; R255-R260 PolarHBondContact O-NE 2.9Å; R255-R260 PolarHBondContact O-NH2 3.4Å |
| 256 | S | 70.6 | Confident | 65.9 | Low | 58 Ų | 58 | 109.5 Ų | 109.5 | 41% | 0.406 | 55% | 0.552 | S | S | . | * | trans | -65 | 159.8 | 172.5 | 68.3 | 0 | 0 | 0 | 0 | 111.3 | R254 A258 E259 R260 | R254-S256 PolarHBondContact O-N 3.48Å; S256-A258 PolarHBondContact O-N 2.88Å; S256-E259 PolarHBondContact N-OE2 3.45Å; S256-E259 VanDerWaalsContact N-OE2 3.11Å; S256-E259 PolarHBondContact O-N 3.2Å; S256-E259 WeakPolarHBondContact OG-CG 3.23Å; S256-E259 PolarHBondContact OG-N 3.3Å; S256-E259 PolarHBondContact OG-OE2 3.06Å; S256-R260 PolarHBondContact O-N 3.47Å; S256-R260 VanDerWaalsContact O-N 3.13Å | ||
| 257 | I | 71.3 | Confident | 65.1 | Low | 132 Ų | 132 | 117.3 Ų | 117.3 | 68% | 0.677 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58.9 | -39.3 | 179.4 | -63.1 | 172.3 | 0 | 0 | 0 | 110.7 | E259 R260 L261 | I257-E259 PolarHBondContact O-N 3.5Å; I257-R260 PolarHBondContact O-N 2.89Å; I257-L261 HydrophobicContact CG2-CD1 4.03Å; I257-L261 WeakPolarHBondContact O-CG 3.39Å; I257-L261 PolarHBondContact O-N 3.04Å; I257-L261 VanDerWaalsContact O-N 3.14Å |
| 258 | A | 73.2 | Confident | 64.2 | Low | 60 Ų | 60 | 117.6 Ų | 117.6 | 50% | 0.496 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.3 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S256 R260 L261 L262 | S256-A258 PolarHBondContact O-N 2.88Å; A258-R260 PolarHBondContact O-N 3.19Å; A258-L261 PolarHBondContact O-N 3.34Å; A258-L262 WeakPolarHBondContact O-CG 3.43Å; A258-L262 PolarHBondContact O-N 2.88Å |
| 259 | E | 70.7 | Confident | 63.6 | Low | 103 Ų | 103 | 117.2 Ų | 117.2 | 48% | 0.481 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.6 | -34.3 | 176.6 | -74.8 | 176 | 137.2 | 0 | 0 | 113 | R255 S256 I257 L261 L262 A263 | R255-E259 WeakPolarHBondContact CA-OE2 3.37Å; R255-E259 HydrophobicContact CB-CB 4.38Å; R255-E259 HydrophobicContact CG-CB 4.37Å; S256-E259 PolarHBondContact N-OE2 3.45Å; S256-E259 VanDerWaalsContact N-OE2 3.11Å; S256-E259 PolarHBondContact O-N 3.2Å; S256-E259 WeakPolarHBondContact OG-CG 3.23Å; S256-E259 PolarHBondContact OG-N 3.3Å; S256-E259 PolarHBondContact OG-OE2 3.06Å; I257-E259 PolarHBondContact O-N 3.5Å; E259-L261 VanDerWaalsContact C-N 3.3Å; E259-L262 PolarHBondContact O-N 3.12Å; E259-A263 VanDerWaalsContact O-CB 3.31Å; E259-A263 WeakPolarHBondContact O-CB 3.41Å; E259-A263 PolarHBondContact O-N 2.93Å |
| 260 | R | 66.7 | Low | 63 | Low | 127 Ų | 127 | 118.4 Ų | 118.4 | 48% | 0.479 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.2 | -30.4 | 175 | -67.6 | -172.9 | -151.6 | 171.1 | 5.9 | 112.6 | E252 R255 S256 I257 A258 | E252-R260 PolarHBondContact O-NE 3.23Å; E252-R260 PolarHBondContact O-NH2 2.98Å; E252-R260 VanDerWaalsContact O-NH2 3.14Å; R255-R260 HydrophobicContact CB-CG 4.12Å; R255-R260 PolarHBondContact O-NE 2.9Å; R255-R260 PolarHBondContact O-NH2 3.4Å; S256-R260 PolarHBondContact O-N 3.47Å; S256-R260 VanDerWaalsContact O-N 3.13Å; I257-R260 PolarHBondContact O-N 2.89Å; A258-R260 PolarHBondContact O-N 3.19Å |
| 261 | L | 67.9 | Low | 62.5 | Low | 143 Ų | 143 | 119.5 Ų | 119.5 | 75% | 0.749 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76.9 | -33 | 176.9 | -69.9 | 168.4 | 0 | 0 | 0 | 112.2 | I257 A258 E259 | I257-L261 HydrophobicContact CG2-CD1 4.03Å; I257-L261 WeakPolarHBondContact O-CG 3.39Å; I257-L261 PolarHBondContact O-N 3.04Å; I257-L261 VanDerWaalsContact O-N 3.14Å; A258-L261 PolarHBondContact O-N 3.34Å; E259-L261 VanDerWaalsContact C-N 3.3Å |
| 262 | L | 69.5 | Low | 62 | Low | 148 Ų | 148 | 120.4 Ų | 120.4 | 78% | 0.775 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -86.6 | -18 | 177.9 | -69.4 | 169.8 | 0 | 0 | 0 | 113.7 | A258 E259 | A258-L262 WeakPolarHBondContact O-CG 3.43Å; A258-L262 PolarHBondContact O-N 2.88Å; E259-L262 PolarHBondContact O-N 3.12Å |
| 263 | A | 65.1 | Low | 61.8 | Low | 39 Ų | 39 | 122.6 Ų | 122.6 | 32% | 0.322 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -61.9 | 127.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E259 R265 | E259-A263 VanDerWaalsContact O-CB 3.31Å; E259-A263 WeakPolarHBondContact O-CB 3.41Å; E259-A263 PolarHBondContact O-N 2.93Å; A263-R265 PolarHBondContact O-N 3.43Å |
| 264 | P | 60.5 | Low | 61.4 | Low | 109 Ų | 109 | 123.3 Ų | 123.3 | 71% | 0.708 | 61% | 0.613 | S | S | * | * | trans | -57.2 | 136.6 | 177.5 | -18.8 | 28.9 | 0 | 0 | 0 | 109.6 | Q266 | P264-Q266 PolarHBondContact O-N 2.94Š| ||
| 265 | R | 56 | Low | 61.2 | Low | 224 Ų | 224 | 120.4 Ų | 120.4 | 85% | 0.845 | 61% | 0.607 | S | S | * | * | trans | -67.7 | 61.9 | 178.4 | -166.1 | 176.6 | 176.1 | 160.1 | -1.8 | 111.6 | A263 R267 | A263-R265 PolarHBondContact O-N 3.43Å; R265-R267 HydrophobicContact CG-CB 4.46Å; R265-R267 PolarHBondContact O-N 3.35Å | ||
| 266 | Q | 53.5 | Low | 61.2 | Low | 183 Ų | 183 | 118.2 Ų | 118.2 | 86% | 0.855 | 61% | 0.612 | S | S | * | * | trans | -79.5 | 65.7 | 170.6 | -77.1 | -169.6 | -15.1 | 0 | 0 | 109.8 | P264 | P264-Q266 PolarHBondContact O-N 2.94Š| ||
| 267 | R | 46.6 | Very low | 61.2 | Low | 214 Ų | 214 | 117.7 Ų | 117.7 | 81% | 0.808 | 61% | 0.606 | S | S | * | * | trans | -93.5 | 10.3 | -174 | -123.8 | -179.6 | -165.4 | 172.3 | 5.6 | 115.7 | R265 | R265-R267 HydrophobicContact CG-CB 4.46Å; R265-R267 PolarHBondContact O-N 3.35Å | ||
| 268 | M | 46.9 | Very low | 61.4 | Low | 166 Ų | 166 | 114.4 Ų | 114.4 | 82% | 0.818 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -129.3 | -14.3 | -171.8 | -73.3 | -179.2 | 65.2 | 0 | 0 | 118.1 | ||
| 269 | S | 52 | Low | 61.5 | Low | 87 Ų | 87 | 113.3 Ų | 113.3 | 61% | 0.608 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -78.5 | -33 | -178 | 176.4 | 0 | 0 | 0 | 0 | 113.9 | S271 S272 | S269-S271 VanDerWaalsContact C-N 3.32Å; S269-S271 PolarHBondContact O-N 3.47Å; S269-S272 PolarHBondContact O-OG 2.99Å |
| 270 | N | 53 | Low | 61.8 | Low | 101 Ų | 101 | 111.7 Ų | 111.7 | 54% | 0.54 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -80.1 | -10.2 | -171.7 | -121.6 | -2.2 | 0 | 0 | 0 | 114.5 | R274 | N270-R274 WeakPolarHBondContact O-CB 3.26Å |
| 271 | S | 54.1 | Low | 62.4 | Low | 80 Ų | 80 | 107.9 Ų | 107.9 | 56% | 0.559 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -81.9 | -45 | 176.9 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | S269 R274 F275 | S269-S271 VanDerWaalsContact C-N 3.32Å; S269-S271 PolarHBondContact O-N 3.47Å; S271-R274 WeakPolarHBondContact O-CB 3.41Å; S271-R274 PolarHBondContact O-N 3.33Å; S271-F275 PolarHBondContact O-N 3.06Å |
| 272 | S | 57.1 | Low | 63 | Low | 76 Ų | 76 | 106.8 Ų | 106.8 | 53% | 0.531 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.8 | -43.5 | -177.1 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | S269 R274 F275 G276 | S269-S272 PolarHBondContact O-OG 2.99Å; S272-R274 VanDerWaalsContact C-N 3.27Å; S272-R274 PolarHBondContact O-N 2.92Å; S272-F275 PolarHBondContact O-N 2.98Å; S272-G276 PolarHBondContact O-N 2.72Å |
| 273 | N | 61 | Low | 63.4 | Low | 111 Ų | 111 | 102.7 Ų | 102.7 | 59% | 0.594 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.9 | -36.1 | 174.4 | -91.8 | -7.8 | 0 | 0 | 0 | 112.1 | G276 V277 | N273-G276 PolarHBondContact O-N 3.3Å; N273-V277 WeakPolarHBondContact O-CG2 3.45Å; N273-V277 PolarHBondContact O-N 3.38Å; N273-V277 VanDerWaalsContact O-N 3.08Å |
| 274 | R | 59.6 | Low | 64.3 | Low | 108 Ų | 108 | 104 Ų | 104 | 41% | 0.408 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 178.7 | -141.7 | -176.9 | -63.4 | -167.2 | -0.7 | 111.3 | N270 S271 S272 G276 V277 V278 | N270-R274 WeakPolarHBondContact O-CB 3.26Å; S271-R274 WeakPolarHBondContact O-CB 3.41Å; S271-R274 PolarHBondContact O-N 3.33Å; S272-R274 VanDerWaalsContact C-N 3.27Å; S272-R274 PolarHBondContact O-N 2.92Å; R274-G276 VanDerWaalsContact C-N 3.32Å; R274-G276 PolarHBondContact O-N 2.82Å; R274-V277 PolarHBondContact O-N 3.37Å; R274-V278 VanDerWaalsContact O-CG2 3.32Å; R274-V278 WeakPolarHBondContact O-CG2 3.5Å; R274-V278 PolarHBondContact O-N 2.91Å; R274-V278 VanDerWaalsContact O-N 3.09Å |
| 275 | F | 62.3 | Low | 65.4 | Low | 171 Ų | 171 | 107 Ų | 107 | 75% | 0.75 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64 | -39.4 | 178 | -146.2 | -91.1 | 0 | 0 | 0 | 111.5 | S271 S272 G279 | S271-F275 PolarHBondContact O-N 3.06Å; S272-F275 PolarHBondContact O-N 2.98Å; F275-G279 PolarHBondContact O-N 3.36Å |
| 276 | G | 67.7 | Low | 66.8 | Low | 42 Ų | 42 | 102.1 Ų | 102.1 | 43% | 0.433 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S272 N273 R274 G279 V280 | S272-G276 PolarHBondContact O-N 2.72Å; N273-G276 PolarHBondContact O-N 3.3Å; R274-G276 VanDerWaalsContact C-N 3.32Å; R274-G276 PolarHBondContact O-N 2.82Å; G276-G279 PolarHBondContact O-N 2.83Å; G276-V280 WeakPolarHBondContact O-CG2 3.44Å; G276-V280 PolarHBondContact O-N 3.49Å |
| 277 | V | 71.1 | Confident | 68.4 | Low | 47 Ų | 47 | 96.1 Ų | 96.1 | 29% | 0.285 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 179.4 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | N273 R274 G279 V280 I281 | N273-V277 WeakPolarHBondContact O-CG2 3.45Å; N273-V277 PolarHBondContact O-N 3.38Å; N273-V277 VanDerWaalsContact O-N 3.08Å; R274-V277 PolarHBondContact O-N 3.37Å; V277-G279 VanDerWaalsContact C-N 3.32Å; V277-G279 PolarHBondContact O-N 2.95Å; V277-V280 PolarHBondContact O-N 3.25Å; V277-I281 HydrophobicContact CG1-CD1 3.91Å; V277-I281 HydrophobicContact CG1-CG1 4.43Å; V277-I281 WeakPolarHBondContact O-CG1 3.31Å; V277-I281 PolarHBondContact O-N 3.05Å |
| 278 | V | 74.5 | Confident | 70.3 | Confident | 64 Ų | 64 | 86.7 Ų | 86.7 | 39% | 0.388 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | R274 V280 I281 E282 | R274-V278 VanDerWaalsContact O-CG2 3.32Å; R274-V278 WeakPolarHBondContact O-CG2 3.5Å; R274-V278 PolarHBondContact O-N 2.91Å; R274-V278 VanDerWaalsContact O-N 3.09Å; V278-V280 VanDerWaalsContact C-N 3.32Å; V278-V280 PolarHBondContact O-N 3.24Å; V278-I281 PolarHBondContact O-N 3.09Å; V278-E282 HydrophobicContact CG1-CG 4.43Å; V278-E282 WeakPolarHBondContact O-CG 3.3Å; V278-E282 PolarHBondContact O-N 2.89Å |
| 279 | G | 76 | Confident | 72.4 | Confident | 36 Ų | 36 | 85.5 Ų | 85.5 | 37% | 0.371 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | F275 G276 V277 S283 | F275-G279 PolarHBondContact O-N 3.36Å; G276-G279 PolarHBondContact O-N 2.83Å; V277-G279 VanDerWaalsContact C-N 3.32Å; V277-G279 PolarHBondContact O-N 2.95Å; G279-S283 WeakPolarHBondContact O-CB 3.46Å; G279-S283 PolarHBondContact O-N 3.35Å |
| 280 | V | 76.3 | Confident | 74.2 | Confident | 70 Ų | 70 | 83.6 Ų | 83.6 | 42% | 0.424 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 175 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | G276 V277 V278 S283 R284 | G276-V280 WeakPolarHBondContact O-CG2 3.44Å; G276-V280 PolarHBondContact O-N 3.49Å; V277-V280 PolarHBondContact O-N 3.25Å; V278-V280 VanDerWaalsContact C-N 3.32Å; V278-V280 PolarHBondContact O-N 3.24Å; V280-S283 PolarHBondContact O-N 2.79Å; V280-S283 PolarHBondContact O-OG 3.35Å; V280-R284 WeakPolarHBondContact O-CG 3.43Å; V280-R284 PolarHBondContact O-N 2.93Å; V280-R284 VanDerWaalsContact O-N 3.11Å |
| 281 | I | 79.2 | Confident | 76 | Confident | 47 Ų | 47 | 79 Ų | 79 | 24% | 0.241 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 178.8 | -66.6 | 167.7 | 0 | 0 | 0 | 110.8 | C234 V277 V278 S283 R284 R285 | C234-I281 HydrophobicContact CB-CG2 4.27Å; V277-I281 HydrophobicContact CG1-CD1 3.91Å; V277-I281 HydrophobicContact CG1-CG1 4.43Å; V277-I281 WeakPolarHBondContact O-CG1 3.31Å; V277-I281 PolarHBondContact O-N 3.05Å; V278-I281 PolarHBondContact O-N 3.09Å; I281-S283 VanDerWaalsContact C-N 3.33Å; I281-S283 PolarHBondContact O-N 3.36Å; I281-R284 PolarHBondContact O-N 3.5Å; I281-R285 PolarHBondContact O-N 3.29Å |
| 282 | E | 80.7 | Confident | 77.9 | Confident | 119 Ų | 119 | 78.7 Ų | 78.7 | 56% | 0.556 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.9 | -42 | 177.2 | -75.2 | -179.8 | -175 | 0 | 0 | 112 | V278 R284 R285 R286 | V278-E282 HydrophobicContact CG1-CG 4.43Å; V278-E282 WeakPolarHBondContact O-CG 3.3Å; V278-E282 PolarHBondContact O-N 2.89Å; E282-R284 VanDerWaalsContact C-N 3.32Å; E282-R284 PolarHBondContact O-N 3.29Å; E282-R285 PolarHBondContact O-N 3.16Å; E282-R286 PolarHBondContact O-N 2.86Å |
| 283 | S | 78.8 | Confident | 79.6 | Confident | 62 Ų | 62 | 78.6 Ų | 78.6 | 43% | 0.434 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60 | -43 | 176.9 | 77.7 | 0 | 0 | 0 | 0 | 111.7 | G279 V280 I281 R286 V287 | G279-S283 WeakPolarHBondContact O-CB 3.46Å; G279-S283 PolarHBondContact O-N 3.35Å; V280-S283 PolarHBondContact O-N 2.79Å; V280-S283 PolarHBondContact O-OG 3.35Å; I281-S283 VanDerWaalsContact C-N 3.33Å; I281-S283 PolarHBondContact O-N 3.36Å; S283-R286 WeakPolarHBondContact O-CB 3.35Å; S283-R286 PolarHBondContact O-N 3.44Å; S283-V287 WeakPolarHBondContact O-CG2 3.37Å; S283-V287 PolarHBondContact O-N 2.85Å |
| 284 | R | 83.8 | Confident | 81.1 | Confident | 68 Ų | 68 | 74.5 Ų | 74.5 | 26% | 0.257 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 178.1 | -70.5 | 178.9 | 177.2 | -165.9 | 0.6 | 112.1 | L230 C234 V280 I281 E282 R286 V287 I288 | L230-R284 HydrophobicContact CD2-CG 4.25Å; C234-R284 VanDerWaalsContact SG-CD 3.53Å; V280-R284 WeakPolarHBondContact O-CG 3.43Å; V280-R284 PolarHBondContact O-N 2.93Å; V280-R284 VanDerWaalsContact O-N 3.11Å; I281-R284 PolarHBondContact O-N 3.5Å; E282-R284 VanDerWaalsContact C-N 3.32Å; E282-R284 PolarHBondContact O-N 3.29Å; R284-R286 VanDerWaalsContact C-N 3.27Å; R284-R286 PolarHBondContact O-N 2.89Å; R284-V287 PolarHBondContact O-N 3.01Å; R284-V287 VanDerWaalsContact O-N 3.15Å; R284-I288 WeakPolarHBondContact O-CG1 3.47Å; R284-I288 PolarHBondContact O-N 3.48Å |
| 285 | R | 84.3 | Confident | 82.8 | Confident | 172 Ų | 172 | 70.1 Ų | 70.1 | 65% | 0.649 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.1 | -36.3 | 176.7 | -165.7 | 177.3 | -175.2 | -177.5 | 2 | 111.7 | I281 E282 I288 K289 | I281-R285 PolarHBondContact O-N 3.29Å; E282-R285 PolarHBondContact O-N 3.16Å; R285-I288 PolarHBondContact O-N 2.98Å; R285-K289 PolarHBondContact O-N 3.41Å |
| 286 | R | 85.5 | Confident | 84.5 | Confident | 121 Ų | 121 | 66.1 Ų | 66.1 | 46% | 0.457 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 173.9 | -168 | -178.6 | -60.5 | -179.4 | 3.7 | 111.9 | E282 S283 R284 K289 M290 | E282-R286 PolarHBondContact O-N 2.86Å; S283-R286 WeakPolarHBondContact O-CB 3.35Å; S283-R286 PolarHBondContact O-N 3.44Å; R284-R286 VanDerWaalsContact C-N 3.27Å; R284-R286 PolarHBondContact O-N 2.89Å; R286-K289 PolarHBondContact O-N 2.88Å; R286-M290 WeakPolarHBondContact O-CB 3.47Å; R286-M290 PolarHBondContact O-N 3.12Å |
| 287 | V | 85.5 | Confident | 85.8 | Confident | 57 Ų | 57 | 65.5 Ų | 65.5 | 35% | 0.345 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 175.7 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | L230 S283 R284 K289 M290 L291 | L230-V287 HydrophobicContact CD1-CB 4.49Å; L230-V287 HydrophobicContact CD1-CG1 4.07Å; S283-V287 WeakPolarHBondContact O-CG2 3.37Å; S283-V287 PolarHBondContact O-N 2.85Å; R284-V287 PolarHBondContact O-N 3.01Å; R284-V287 VanDerWaalsContact O-N 3.15Å; V287-K289 VanDerWaalsContact C-N 3.33Å; V287-K289 PolarHBondContact O-N 3.26Å; V287-M290 WeakPolarHBondContact O-CB 3.45Å; V287-M290 PolarHBondContact O-N 2.77Å; V287-M290 VanDerWaalsContact O-N 3.15Å; V287-L291 HydrophobicContact CG1-CD1 4.16Å; V287-L291 HydrophobicContact CG1-CG 4.3Å; V287-L291 WeakPolarHBondContact O-CG 3.3Å; V287-L291 PolarHBondContact O-N 3.04Å |
| 288 | I | 87.7 | Confident | 87 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.3 | -48.9 | 176.7 | -64.9 | 170.2 | 0 | 0 | 0 | 110.6 | C227 L230 W231 R284 R285 M290 L291 I292 | C227-I288 HydrophobicContact CB-CG2 4.18Å; L230-I288 HydrophobicContact CB-CD1 3.72Å; L230-I288 HydrophobicContact CB-CG1 3.83Å; L230-I288 HydrophobicContact CD1-CG1 3.93Å; W231-I288 HydrophobicContact CB-CD1 4.28Å; W231-I288 HydrophobicContact CE3-CD1 4.29Å; R284-I288 WeakPolarHBondContact O-CG1 3.47Å; R284-I288 PolarHBondContact O-N 3.48Å; R285-I288 PolarHBondContact O-N 2.98Å; I288-M290 VanDerWaalsContact C-N 3.32Å; I288-M290 PolarHBondContact O-N 3.4Å; I288-L291 PolarHBondContact O-N 2.92Å; I288-I292 HydrophobicContact CG2-CD1 3.86Å; I288-I292 WeakPolarHBondContact O-CG1 3.25Å; I288-I292 PolarHBondContact O-N 3.37Å |
| 289 | K | 89.8 | Confident | 88.1 | Confident | 141 Ų | 141 | 64.5 Ų | 64.5 | 61% | 0.613 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.9 | -42.5 | 178.3 | -173.7 | 176.6 | 178.4 | 178.2 | 0 | 111.6 | R285 R286 V287 M293 | R285-K289 PolarHBondContact O-N 3.41Å; R286-K289 PolarHBondContact O-N 2.88Å; V287-K289 VanDerWaalsContact C-N 3.33Å; V287-K289 PolarHBondContact O-N 3.26Å; K289-M293 WeakPolarHBondContact O-CG 3.43Å; K289-M293 PolarHBondContact O-N 2.91Å |
| 290 | M | 89.6 | Confident | 89 | Confident | 47 Ų | 47 | 66.4 Ų | 66.4 | 23% | 0.232 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.4 | -50.2 | 175.3 | 174.3 | -170.6 | 173 | 0 | 0 | 111.4 | R286 V287 I288 I292 M293 V294 F353 T356 | R286-M290 WeakPolarHBondContact O-CB 3.47Å; R286-M290 PolarHBondContact O-N 3.12Å; V287-M290 WeakPolarHBondContact O-CB 3.45Å; V287-M290 PolarHBondContact O-N 2.77Å; V287-M290 VanDerWaalsContact O-N 3.15Å; I288-M290 VanDerWaalsContact C-N 3.32Å; I288-M290 PolarHBondContact O-N 3.4Å; M290-I292 VanDerWaalsContact C-N 3.34Å; M290-I292 PolarHBondContact O-N 3.09Å; M290-M293 PolarHBondContact O-N 3.46Å; M290-M293 VanDerWaalsContact O-N 3.13Å; M290-V294 WeakPolarHBondContact O-CG2 3.36Å; M290-V294 PolarHBondContact O-N 2.92Å; M290-F353 HydrophobicContact CE-CD2 4.46Å; M290-T356 HydrophobicContact CB-CG2 3.75Å; M290-T356 HydrophobicContact CG-CG2 3.79Å; M290-T356 HydrophobicContact SD-CG2 4.43Å; M290-T356 PolarHBondContact SD-OG1 3.47Å |
| 291 | L | 91.3 | Very high | 90 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.7 | -40.1 | -177.2 | -64.9 | -178.5 | 0 | 0 | 0 | 112.4 | Y223 V226 V287 I288 M293 V294 L295 | Y223-L291 HydrophobicContact CD1-CD1 3.98Å; Y223-L291 HydrophobicContact CD1-CD2 3.76Å; Y223-L291 HydrophobicContact CD1-CG 4.29Å; Y223-L291 HydrophobicContact CD2-CD2 4.49Å; Y223-L291 HydrophobicContact CE1-CD1 4.43Å; Y223-L291 HydrophobicContact CE1-CD2 3.48Å; Y223-L291 VanDerWaalsContact CE1-CD2 3.48Å; Y223-L291 HydrophobicContact CE1-CG 4.47Å; Y223-L291 HydrophobicContact CE2-CD2 4.26Å; Y223-L291 HydrophobicContact CG-CB 4.35Å; Y223-L291 HydrophobicContact CG-CD2 4.26Å; V226-L291 HydrophobicContact CB-CD1 4.17Å; V226-L291 HydrophobicContact CG1-CD1 3.46Å; V226-L291 VanDerWaalsContact CG1-CD1 3.46Å; V287-L291 HydrophobicContact CG1-CD1 4.16Å; V287-L291 HydrophobicContact CG1-CG 4.3Å; V287-L291 WeakPolarHBondContact O-CG 3.3Å; V287-L291 PolarHBondContact O-N 3.04Å; I288-L291 PolarHBondContact O-N 2.92Å; L291-M293 VanDerWaalsContact C-N 3.35Å; L291-V294 PolarHBondContact O-N 3.37Å; L291-L295 PolarHBondContact O-N 3.47Å |
| 292 | I | 93.4 | Very high | 90.8 | Very high | 74 Ų | 74 | 61.2 Ų | 61.2 | 38% | 0.379 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 174 | -66.6 | 169.7 | 0 | 0 | 0 | 110.5 | I288 M290 V294 L295 L296 | I288-I292 HydrophobicContact CG2-CD1 3.86Å; I288-I292 WeakPolarHBondContact O-CG1 3.25Å; I288-I292 PolarHBondContact O-N 3.37Å; M290-I292 VanDerWaalsContact C-N 3.34Å; M290-I292 PolarHBondContact O-N 3.09Å; I292-V294 VanDerWaalsContact C-N 3.33Å; I292-V294 PolarHBondContact O-N 2.91Å; I292-L295 PolarHBondContact O-N 3.43Å; I292-L296 HydrophobicContact CG2-CD1 3.93Å; I292-L296 HydrophobicContact CG2-CG 4.35Å; I292-L296 WeakPolarHBondContact O-CG 3.29Å; I292-L296 PolarHBondContact O-N 3.25Å |
| 293 | M | 94.3 | Very high | 91.6 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 36% | 0.36 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 178.2 | -68.5 | -67.3 | 134.9 | 0 | 0 | 112 | K289 M290 L291 L295 L296 V297 L352 | K289-M293 WeakPolarHBondContact O-CG 3.43Å; K289-M293 PolarHBondContact O-N 2.91Å; M290-M293 PolarHBondContact O-N 3.46Å; M290-M293 VanDerWaalsContact O-N 3.13Å; L291-M293 VanDerWaalsContact C-N 3.35Å; M293-L295 PolarHBondContact O-N 2.9Å; M293-L296 HydrophobicContact CE-CD1 4.09Å; M293-L296 PolarHBondContact O-N 3Å; M293-L296 HydrophobicContact SD-CD1 4.48Å; M293-V297 WeakPolarHBondContact O-CB 3.3Å; M293-V297 VanDerWaalsContact O-CG2 3.23Å; M293-V297 WeakPolarHBondContact O-CG2 3.16Å; M293-V297 PolarHBondContact O-N 3.17Å; M293-L352 HydrophobicContact CB-CD1 3.81Å; M293-L352 HydrophobicContact CB-CD2 3.82Å; M293-L352 HydrophobicContact CB-CG 4.49Å; M293-L352 HydrophobicContact CG-CD1 4.44Å |
| 294 | V | 92.7 | Very high | 92.3 | Very high | 25 Ų | 25 | 54.8 Ų | 54.8 | 15% | 0.152 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 175.2 | 171.4 | 0 | 0 | 0 | 0 | 111 | M219 Y223 M290 L291 I292 V297 F298 L352 | M219-V294 HydrophobicContact CE-CG1 4.17Å; Y223-V294 HydrophobicContact CE2-CG1 4.12Å; M290-V294 WeakPolarHBondContact O-CG2 3.36Å; M290-V294 PolarHBondContact O-N 2.92Å; L291-V294 PolarHBondContact O-N 3.37Å; I292-V294 VanDerWaalsContact C-N 3.33Å; I292-V294 PolarHBondContact O-N 2.91Å; V294-V297 PolarHBondContact O-N 2.9Å; V294-F298 WeakPolarHBondContact O-CB 3.32Å; V294-F298 PolarHBondContact O-N 3.06Å; V294-L352 HydrophobicContact CB-CD2 4.42Å; V294-L352 HydrophobicContact CG2-CD2 3.6Å |
| 295 | L | 95.5 | Very high | 92.8 | Very high | 17 Ų | 17 | 53.1 Ų | 53.1 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 177.5 | -72.3 | 169.4 | 0 | 0 | 0 | 112.4 | F216 M219 M220 Y223 L291 I292 M293 F298 F299 | F216-L295 HydrophobicContact CE2-CD2 4.37Å; M219-L295 HydrophobicContact CB-CD2 3.72Å; M219-L295 HydrophobicContact CE-CD2 4.47Å; M220-L295 HydrophobicContact CG-CD2 4.29Å; M220-L295 HydrophobicContact SD-CD1 3.79Å; M220-L295 HydrophobicContact SD-CD2 4.07Å; M220-L295 HydrophobicContact SD-CG 4.37Å; Y223-L295 HydrophobicContact CD2-CD1 4.33Å; Y223-L295 HydrophobicContact CD2-CD2 3.98Å; Y223-L295 HydrophobicContact CD2-CG 3.94Å; L291-L295 PolarHBondContact O-N 3.47Å; I292-L295 PolarHBondContact O-N 3.43Å; M293-L295 PolarHBondContact O-N 2.9Å; L295-F298 PolarHBondContact O-N 2.95Å; L295-F299 WeakPolarHBondContact O-CB 3.42Å; L295-F299 PolarHBondContact O-N 2.98Å |
| 296 | L | 96.3 | Very high | 93.3 | Very high | 87 Ų | 87 | 45.1 Ų | 45.1 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 179.7 | -71.6 | 174.2 | 0 | 0 | 0 | 111.8 | I292 M293 F299 V300 | I292-L296 HydrophobicContact CG2-CD1 3.93Å; I292-L296 HydrophobicContact CG2-CG 4.35Å; I292-L296 WeakPolarHBondContact O-CG 3.29Å; I292-L296 PolarHBondContact O-N 3.25Å; M293-L296 HydrophobicContact CE-CD1 4.09Å; M293-L296 PolarHBondContact O-N 3Å; M293-L296 HydrophobicContact SD-CD1 4.48Å; L296-F299 PolarHBondContact O-N 3.47Å; L296-V300 WeakPolarHBondContact O-CB 3.27Å; L296-V300 VanDerWaalsContact O-CG2 3.3Å; L296-V300 WeakPolarHBondContact O-CG2 3.31Å; L296-V300 PolarHBondContact O-N 3.23Å |
| 297 | V | 95.8 | Very high | 93.7 | Very high | 28 Ų | 28 | 43 Ų | 43 | 17% | 0.17 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 178 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | M293 V294 F299 C301 Y345 I348 | M293-V297 WeakPolarHBondContact O-CB 3.3Å; M293-V297 VanDerWaalsContact O-CG2 3.23Å; M293-V297 WeakPolarHBondContact O-CG2 3.16Å; M293-V297 PolarHBondContact O-N 3.17Å; V294-V297 PolarHBondContact O-N 2.9Å; V297-F299 PolarHBondContact O-N 3.12Å; V297-C301 VanDerWaalsContact O-CB 3.23Å; V297-C301 WeakPolarHBondContact O-CB 3.45Å; V297-C301 PolarHBondContact O-N 3.02Å; V297-C301 PolarHBondContact O-SG 2.99Å; V297-Y345 HydrophobicContact CG1-CD2 3.87Å; V297-Y345 HydrophobicContact CG1-CE2 3.75Å; V297-I348 HydrophobicContact CB-CG2 4.4Å; V297-I348 HydrophobicContact CG1-CB 4.16Å; V297-I348 HydrophobicContact CG1-CG2 3.56Å; V297-I348 HydrophobicContact CG2-CG2 3.82Å |
| 298 | F | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.5 | -48.3 | 174.7 | -173.3 | -90.2 | 0 | 0 | 0 | 111.6 | M121 V122 F212 F216 V294 L295 W302 Y345 | M121-F298 HydrophobicContact CE-CE2 4.17Å; V122-F298 HydrophobicContact CG1-CE2 4.14Å; V122-F298 HydrophobicContact CG1-CZ 3.85Å; V122-F298 HydrophobicContact CG2-CE2 4.02Å; V122-F298 HydrophobicContact CG2-CZ 4.15Å; F212-F298 HydrophobicContact CD2-CD1 4.22Å; F212-F298 AromaticContact CD2-CE1 3.57Å; F212-F298 HydrophobicContact CD2-CE1 3.57Å; F212-F298 HydrophobicContact CD2-CZ 4.32Å; F212-F298 HydrophobicContact CE2-CD1 4.15Å; F212-F298 AromaticContact CE2-CE1 3.93Å; F212-F298 HydrophobicContact CE2-CE1 3.93Å; F216-F298 HydrophobicContact CB-CD1 4.35Å; F216-F298 HydrophobicContact CB-CE1 3.98Å; F216-F298 AromaticContact CD2-CD1 3.63Å; F216-F298 HydrophobicContact CD2-CD1 3.63Å; F216-F298 HydrophobicContact CD2-CE1 4.14Å; F216-F298 HydrophobicContact CE2-CD1 4.42Å; F216-F298 HydrophobicContact CG-CD1 4.39Å; F216-F298 HydrophobicContact CG-CE1 4.49Å; V294-F298 WeakPolarHBondContact O-CB 3.32Å; V294-F298 PolarHBondContact O-N 3.06Å; L295-F298 PolarHBondContact O-N 2.95Å; F298-W302 HydrophobicContact CE2-CG 4.32Å; F298-W302 HydrophobicContact CZ-CG 4.47Å; F298-W302 WeakPolarHBondContact O-CB 3.28Å; F298-W302 PolarHBondContact O-N 3.49Å; F298-Y345 HydrophobicContact CB-CE2 4.33Å; F298-Y345 HydrophobicContact CD2-CE2 4.34Å |
| 299 | F | 97.1 | Very high | 94.2 | Very high | 90 Ų | 90 | 42.8 Ų | 42.8 | 40% | 0.395 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.2 | -52.1 | 179.1 | -177 | -94.7 | 0 | 0 | 0 | 112.5 | F212 F216 L295 L296 V297 S303 | F212-F299 HydrophobicContact CE2-CD2 4.34Å; F212-F299 AromaticContact CZ-CD2 3.72Å; F212-F299 HydrophobicContact CZ-CD2 3.72Å; F212-F299 HydrophobicContact CZ-CE2 4.03Å; F216-F299 AromaticContact CE1-CD2 3.86Å; F216-F299 HydrophobicContact CE1-CD2 3.86Å; F216-F299 HydrophobicContact CE1-CE2 4.47Å; F216-F299 HydrophobicContact CE2-CB 3.88Å; F216-F299 HydrophobicContact CE2-CD2 4.21Å; F216-F299 HydrophobicContact CZ-CB 4Å; F216-F299 AromaticContact CZ-CD2 3.65Å; F216-F299 HydrophobicContact CZ-CD2 3.65Å; F216-F299 HydrophobicContact CZ-CG 4.19Å; L295-F299 WeakPolarHBondContact O-CB 3.42Å; L295-F299 PolarHBondContact O-N 2.98Å; L296-F299 PolarHBondContact O-N 3.47Å; V297-F299 PolarHBondContact O-N 3.12Å; F299-S303 WeakPolarHBondContact O-CB 3.46Å; F299-S303 PolarHBondContact O-N 3.32Å; F299-S303 PolarHBondContact O-OG 3.4Å |
| 300 | V | 96.7 | Very high | 94.4 | Very high | 77 Ų | 77 | 36.7 Ų | 36.7 | 47% | 0.467 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.4 | -38.5 | -175.1 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | L296 P304 | L296-V300 WeakPolarHBondContact O-CB 3.27Å; L296-V300 VanDerWaalsContact O-CG2 3.3Å; L296-V300 WeakPolarHBondContact O-CG2 3.31Å; L296-V300 PolarHBondContact O-N 3.23Å; V300-P304 WeakPolarHBondContact O-CD 3.38Å; V300-P304 WeakPolarHBondContact O-CG 3.39Å |
| 301 | C | 96.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -75.6 | -38.7 | -178.8 | -71.9 | 0 | 0 | 0 | 0 | 113.1 | V297 L341 V342 Y345 | V297-C301 VanDerWaalsContact O-CB 3.23Å; V297-C301 WeakPolarHBondContact O-CB 3.45Å; V297-C301 PolarHBondContact O-N 3.02Å; V297-C301 PolarHBondContact O-SG 2.99Å; C301-L341 PolarHBondContact SG-O 2.84Å; C301-L341 VanDerWaalsContact SG-O 3.41Å; C301-V342 WeakPolarHBondContact O-CG2 3.49Å; C301-Y345 HydrophobicContact CB-CD2 3.58Å; C301-Y345 HydrophobicContact CB-CE2 4.48Å; C301-Y345 HydrophobicContact CB-CG 4.3Å |
| 302 | W | 96.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -97.3 | -37.2 | -170.8 | -74 | 75 | 0 | 0 | 0 | 114.4 | L80 Q118 M121 V122 F212 F298 L306 V342 Y345 | L80-W302 HydrophobicContact CD1-CH2 4.43Å; L80-W302 HydrophobicContact CD2-CH2 4.4Å; L80-W302 HydrophobicContact CD2-CZ2 3.76Å; Q118-W302 HydrophobicContact CB-CH2 3.79Å; Q118-W302 HydrophobicContact CB-CZ3 4.12Å; Q118-W302 HydrophobicContact CG-CH2 3.77Å; Q118-W302 HydrophobicContact CG-CZ3 4.18Å; M121-W302 VanDerWaalsContact CE-CE2 3.5Å; M121-W302 HydrophobicContact CE-CH2 3.76Å; M121-W302 HydrophobicContact CE-CZ2 3.07Å; M121-W302 HydrophobicContact SD-CZ2 3.65Å; V122-W302 HydrophobicContact CG2-CE3 4.48Å; V122-W302 HydrophobicContact CG2-CH2 4.09Å; V122-W302 HydrophobicContact CG2-CZ2 4.43Å; V122-W302 HydrophobicContact CG2-CZ3 4.13Å; F212-W302 HydrophobicContact CD2-CB 3.9Å; F212-W302 HydrophobicContact CE2-CB 4.34Å; F298-W302 HydrophobicContact CE2-CG 4.32Å; F298-W302 HydrophobicContact CZ-CG 4.47Å; F298-W302 WeakPolarHBondContact O-CB 3.28Å; F298-W302 PolarHBondContact O-N 3.49Å; W302-L306 HydrophobicContact CE3-CD1 4.44Å; W302-L306 WeakPolarHBondContact O-CG 3.07Å; W302-L306 PolarHBondContact O-N 3.29Å; W302-V342 HydrophobicContact CH2-CG1 4.45Å; W302-V342 HydrophobicContact CZ2-CG1 4.18Å; W302-Y345 AromaticContact CD1-CD2 3.87Å; W302-Y345 AromaticContact NE1-CD1 3.69Å; W302-Y345 AromaticContact NE1-CD2 3.62Å; W302-Y345 AromaticContact NE1-CE2 3.91Å; W302-Y345 AromaticContact NE1-CG 3.48Å |
| 303 | S | 96.3 | Very high | 93.9 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 11% | 0.105 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | -172.7 | 69.5 | 0 | 0 | 0 | 0 | 114.3 | F212 F299 K305 L306 V307 | F212-S303 VanDerWaalsContact CZ-CB 3.46Å; F299-S303 WeakPolarHBondContact O-CB 3.46Å; F299-S303 PolarHBondContact O-N 3.32Å; F299-S303 PolarHBondContact O-OG 3.4Å; S303-K305 VanDerWaalsContact C-N 3.33Å; S303-K305 PolarHBondContact O-N 2.87Å; S303-L306 PolarHBondContact O-N 3.36Å; S303-V307 VanDerWaalsContact O-CG2 3.31Å; S303-V307 WeakPolarHBondContact O-CG2 3.24Å; S303-V307 PolarHBondContact O-N 3.48Å |
| 304 | P | 95.2 | Very high | 93.6 | Very high | 31 Ų | 31 | 36.2 Ų | 36.2 | 20% | 0.201 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | -173 | -21.9 | 35.6 | 0 | 0 | 0 | 111.5 | V300 L306 V307 F308 A338 L341 | V300-P304 WeakPolarHBondContact O-CD 3.38Å; V300-P304 WeakPolarHBondContact O-CG 3.39Å; P304-L306 PolarHBondContact O-N 2.85Å; P304-V307 PolarHBondContact O-N 3.35Å; P304-F308 HydrophobicContact CB-CD2 4.32Å; P304-F308 HydrophobicContact CB-CE2 4.02Å; P304-F308 WeakPolarHBondContact O-CB 3.44Å; P304-F308 WeakPolarHBondContact O-CD2 3.4Å; P304-F308 WeakPolarHBondContact O-CG 3.45Å; P304-F308 PolarHBondContact O-N 3.45Å; P304-A338 HydrophobicContact CB-CB 3.82Å; P304-L341 HydrophobicContact CG-CD1 4.38Å |
| 305 | K | 93.7 | Very high | 93.1 | Very high | 33 Ų | 33 | 36.3 Ų | 36.3 | 14% | 0.143 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.9 | -48 | -176.9 | -174.2 | -171.1 | -179 | -63 | 0 | 110.5 | S303 V307 F308 D309 A338 V342 | S303-K305 VanDerWaalsContact C-N 3.33Å; S303-K305 PolarHBondContact O-N 2.87Å; K305-V307 PolarHBondContact O-N 3.01Å; K305-F308 PolarHBondContact O-N 3.43Å; K305-D309 IonicContact NZ-OD2 2.67Å; K305-D309 PolarHBondContact NZ-OD2 3.19Å; K305-D309 VanDerWaalsContact O-CB 3.31Å; K305-D309 WeakPolarHBondContact O-CB 3.25Å; K305-D309 VanDerWaalsContact O-CG 3.23Å; K305-D309 PolarHBondContact O-N 2.93Å; K305-A338 HydrophobicContact CB-CB 3.87Å; K305-V342 HydrophobicContact CB-CG2 4.06Å; K305-V342 HydrophobicContact CD-CB 4.41Å; K305-V342 HydrophobicContact CD-CG2 3.75Å |
| 306 | L | 95.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.5 | -37.3 | -176.6 | -63.3 | 172.2 | 0 | 0 | 0 | 111.9 | R207 L208 F212 W302 S303 P304 V310 | R207-L306 HydrophobicContact CB-CD2 3.66Å; L208-L306 HydrophobicContact CB-CB 4.4Å; L208-L306 HydrophobicContact CD1-CB 3.71Å; F212-L306 HydrophobicContact CB-CD1 3.29Å; F212-L306 HydrophobicContact CD2-CD1 4.35Å; F212-L306 HydrophobicContact CG-CD1 3.92Å; W302-L306 HydrophobicContact CE3-CD1 4.44Å; W302-L306 WeakPolarHBondContact O-CG 3.07Å; W302-L306 PolarHBondContact O-N 3.29Å; S303-L306 PolarHBondContact O-N 3.36Å; P304-L306 PolarHBondContact O-N 2.85Å; L306-V310 WeakPolarHBondContact O-CG2 3.13Å; L306-V310 PolarHBondContact O-N 3.12Å |
| 307 | V | 94.1 | Very high | 91.5 | Very high | 77 Ų | 77 | 38.5 Ų | 38.5 | 47% | 0.467 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68 | -47.5 | 176 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | S303 P304 K305 D309 V310 K311 | S303-V307 VanDerWaalsContact O-CG2 3.31Å; S303-V307 WeakPolarHBondContact O-CG2 3.24Å; S303-V307 PolarHBondContact O-N 3.48Å; P304-V307 PolarHBondContact O-N 3.35Å; K305-V307 PolarHBondContact O-N 3.01Å; V307-D309 VanDerWaalsContact C-N 3.32Å; V307-D309 PolarHBondContact O-N 3.35Å; V307-V310 PolarHBondContact O-N 2.96Å; V307-K311 PolarHBondContact O-N 2.84Å |
| 308 | F | 92.5 | Very high | 90.8 | Very high | 54 Ų | 54 | 41.3 Ų | 41.3 | 24% | 0.237 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.2 | -34.2 | 178.9 | -64.8 | -47.3 | 0 | 0 | 0 | 112.6 | P304 K305 K311 N312 L331 A334 R335 A338 | P304-F308 HydrophobicContact CB-CD2 4.32Å; P304-F308 HydrophobicContact CB-CE2 4.02Å; P304-F308 WeakPolarHBondContact O-CB 3.44Å; P304-F308 WeakPolarHBondContact O-CD2 3.4Å; P304-F308 WeakPolarHBondContact O-CG 3.45Å; P304-F308 PolarHBondContact O-N 3.45Å; K305-F308 PolarHBondContact O-N 3.43Å; F308-K311 PolarHBondContact O-N 3.09Å; F308-N312 VanDerWaalsContact O-CB 3.26Å; F308-N312 WeakPolarHBondContact O-CB 3.44Å; F308-N312 PolarHBondContact O-N 2.9Å; F308-L331 HydrophobicContact CB-CD1 4.43Å; F308-L331 HydrophobicContact CD1-CD1 4.11Å; F308-A334 HydrophobicContact CD2-CB 4.15Å; F308-A334 HydrophobicContact CE1-CB 4.31Å; F308-A334 HydrophobicContact CE2-CB 3.86Å; F308-A334 HydrophobicContact CZ-CB 3.95Å; F308-R335 HydrophobicContact CB-CG 3.53Å; F308-R335 HydrophobicContact CG-CG 4.42Å; F308-A338 HydrophobicContact CD2-CB 3.97Å; F308-A338 HydrophobicContact CE2-CB 4.37Å |
| 309 | D | 90.8 | Very high | 89.6 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.064 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.4 | -36.4 | 175.3 | -78.5 | -21.1 | 0 | 0 | 0 | 112.8 | S204 K305 V307 A313 R335 | S204-D309 PolarHBondContact OG-O 3.44Å; K305-D309 IonicContact NZ-OD2 2.67Å; K305-D309 PolarHBondContact NZ-OD2 3.19Å; K305-D309 VanDerWaalsContact O-CB 3.31Å; K305-D309 WeakPolarHBondContact O-CB 3.25Å; K305-D309 VanDerWaalsContact O-CG 3.23Å; K305-D309 PolarHBondContact O-N 2.93Å; V307-D309 VanDerWaalsContact C-N 3.32Å; V307-D309 PolarHBondContact O-N 3.35Å; D309-A313 WeakPolarHBondContact O-CB 3.46Å; D309-A313 PolarHBondContact O-N 2.92Å; D309-R335 IonicContact OD1-CZ 3.55Å; D309-R335 IonicContact OD1-NE 2.82Å; D309-R335 PolarHBondContact OD1-NE 2.99Å; D309-R335 IonicContact OD1-NH2 3.94Å; D309-R335 PolarHBondContact OD1-NH2 3.32Å |
| 310 | V | 92.7 | Very high | 88.3 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 9% | 0.085 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.4 | -50.2 | 172.8 | 170.1 | 0 | 0 | 0 | 0 | 110 | L201 K205 L208 L306 V307 N312 A313 E314 | L201-V310 HydrophobicContact CD1-CG1 4.26Å; K205-V310 HydrophobicContact CG-CG2 4.35Å; L208-V310 HydrophobicContact CB-CG2 4.29Å; L208-V310 HydrophobicContact CD2-CG2 4.02Å; L306-V310 WeakPolarHBondContact O-CG2 3.13Å; L306-V310 PolarHBondContact O-N 3.12Å; V307-V310 PolarHBondContact O-N 2.96Å; V310-N312 VanDerWaalsContact C-N 3.31Å; V310-N312 PolarHBondContact O-N 3.15Å; V310-A313 WeakPolarHBondContact O-CB 3.4Å; V310-A313 PolarHBondContact O-N 3.38Å; V310-E314 HydrophobicContact CG1-CG 4.29Å; V310-E314 WeakPolarHBondContact O-CG 3.36Å; V310-E314 PolarHBondContact O-N 2.86Å |
| 311 | K | 89.9 | Confident | 86.4 | Confident | 67 Ų | 67 | 46.1 Ų | 46.1 | 29% | 0.291 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | -178.5 | -175.2 | 174.3 | 179.1 | -178.8 | 0 | 112.6 | V307 F308 A313 E314 C315 | V307-K311 PolarHBondContact O-N 2.84Å; F308-K311 PolarHBondContact O-N 3.09Å; K311-A313 VanDerWaalsContact C-N 3.31Å; K311-A313 PolarHBondContact O-N 2.72Å; K311-E314 PolarHBondContact O-N 2.9Å; K311-C315 WeakPolarHBondContact O-CB 3.37Å; K311-C315 PolarHBondContact O-N 3.44Å |
| 312 | N | 86 | Confident | 84.3 | Confident | 36 Ų | 36 | 50.5 Ų | 50.5 | 19% | 0.193 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 175.7 | -172.4 | 79.1 | 0 | 0 | 0 | 111.9 | F308 V310 C315 A316 L331 R335 | F308-N312 VanDerWaalsContact O-CB 3.26Å; F308-N312 WeakPolarHBondContact O-CB 3.44Å; F308-N312 PolarHBondContact O-N 2.9Å; V310-N312 VanDerWaalsContact C-N 3.31Å; V310-N312 PolarHBondContact O-N 3.15Å; N312-C315 PolarHBondContact O-N 2.96Å; N312-A316 WeakPolarHBondContact O-CB 3.39Å; N312-A316 PolarHBondContact O-N 3.45Å; N312-L331 HydrophobicContact CB-CD2 3.97Å; N312-L331 WeakPolarHBondContact OD1-CD2 3.35Å; N312-R335 PolarHBondContact ND2-NH1 3.47Å |
| 313 | A | 88 | Confident | 82 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 2% | 0.017 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69 | -39.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R200 L201 D309 V310 K311 C315 A316 D317 | R200-A313 HydrophobicContact CB-CB 4.09Å; L201-A313 HydrophobicContact CB-CB 4.06Å; L201-A313 HydrophobicContact CD1-CB 4.08Å; D309-A313 WeakPolarHBondContact O-CB 3.46Å; D309-A313 PolarHBondContact O-N 2.92Å; V310-A313 WeakPolarHBondContact O-CB 3.4Å; V310-A313 PolarHBondContact O-N 3.38Å; K311-A313 VanDerWaalsContact C-N 3.31Å; K311-A313 PolarHBondContact O-N 2.72Å; A313-C315 VanDerWaalsContact C-N 3.34Å; A313-A316 PolarHBondContact O-N 3.33Å; A313-D317 PolarHBondContact O-N 3.32Å |
| 314 | E | 88.2 | Confident | 79.8 | Confident | 83 Ų | 83 | 58.1 Ų | 58.1 | 39% | 0.388 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 174.4 | -69.2 | 178.6 | 160.8 | 0 | 0 | 111.7 | L201 V310 K311 A316 D317 S318 | L201-E314 HydrophobicContact CD1-CG 3.45Å; L201-E314 VanDerWaalsContact CD1-CG 3.45Å; L201-E314 HydrophobicContact CD2-CG 4.35Å; V310-E314 HydrophobicContact CG1-CG 4.29Å; V310-E314 WeakPolarHBondContact O-CG 3.36Å; V310-E314 PolarHBondContact O-N 2.86Å; K311-E314 PolarHBondContact O-N 2.9Å; E314-A316 VanDerWaalsContact C-N 3.32Å; E314-A316 PolarHBondContact O-N 2.91Å; E314-D317 PolarHBondContact O-N 3.37Å; E314-S318 VanDerWaalsContact O-CB 3.27Å; E314-S318 WeakPolarHBondContact O-CB 3.49Å; E314-S318 PolarHBondContact O-N 3.01Å; E314-S318 PolarHBondContact O-OG 3.48Å |
| 315 | C | 82.8 | Confident | 77.4 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 19% | 0.189 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 175.4 | -167.1 | 0 | 0 | 0 | 0 | 111.7 | K311 N312 A313 G319 C320 | K311-C315 WeakPolarHBondContact O-CB 3.37Å; K311-C315 PolarHBondContact O-N 3.44Å; N312-C315 PolarHBondContact O-N 2.96Å; A313-C315 VanDerWaalsContact C-N 3.34Å; C315-G319 PolarHBondContact O-N 3.04Å; C315-C320 PolarHBondContact O-N 3.3Å; C315-C320 PolarHBondContact SG-O 2.82Å |
| 316 | A | 80 | Confident | 75.3 | Confident | 61 Ų | 61 | 70 Ų | 70 | 50% | 0.504 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N312 A313 E314 | N312-A316 WeakPolarHBondContact O-CB 3.39Å; N312-A316 PolarHBondContact O-N 3.45Å; A313-A316 PolarHBondContact O-N 3.33Å; E314-A316 VanDerWaalsContact C-N 3.32Å; E314-A316 PolarHBondContact O-N 2.91Å |
| 317 | D | 78.3 | Confident | 73 | Confident | 88 Ų | 88 | 76.8 Ų | 76.8 | 47% | 0.471 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71 | -32.9 | 178.6 | -75.9 | -7.3 | 0 | 0 | 0 | 112.3 | L201 A313 E314 | L201-D317 WeakPolarHBondContact CB-OD2 3.41Å; A313-D317 PolarHBondContact O-N 3.32Å; E314-D317 PolarHBondContact O-N 3.37Å |
| 318 | S | 79.7 | Confident | 70.9 | Confident | 88 Ų | 88 | 79.5 Ų | 79.5 | 62% | 0.615 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -85 | -7.9 | -176.8 | -49.2 | 0 | 0 | 0 | 0 | 113.6 | E314 C320 | E314-S318 VanDerWaalsContact O-CB 3.27Å; E314-S318 WeakPolarHBondContact O-CB 3.49Å; E314-S318 PolarHBondContact O-N 3.01Å; E314-S318 PolarHBondContact O-OG 3.48Å; S318-C320 PolarHBondContact O-N 3.42Å |
| 319 | G | 71.4 | Confident | 69.3 | Low | 63 Ų | 63 | 81.8 Ų | 81.8 | 65% | 0.649 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 23.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | C315 T321 | C315-G319 PolarHBondContact O-N 3.04Å; G319-T321 PolarHBondContact O-N 3.43Å |
| 320 | C | 70.3 | Confident | 68.4 | Low | 75 Ų | 75 | 86 Ų | 86 | 51% | 0.507 | 51% | 0.505 | S | S | . | . | trans | -68.4 | 124.4 | 179 | -57.8 | 0 | 0 | 0 | 0 | 109 | C315 S318 T322 | C315-C320 PolarHBondContact O-N 3.3Å; C315-C320 PolarHBondContact SG-O 2.82Å; S318-C320 PolarHBondContact O-N 3.42Å; C320-T322 PolarHBondContact O-N 3.48Å | ||
| 321 | T | 56.3 | Low | 67.6 | Low | 129 Ų | 129 | 86.3 Ų | 86.3 | 79% | 0.791 | 51% | 0.506 | S | S | * | . | trans | -66.5 | 115.1 | 162.1 | 49.8 | 0 | 0 | 0 | 0 | 106.6 | G319 G323 | G319-T321 PolarHBondContact O-N 3.43Å; T321-G323 PolarHBondContact O-N 3.48Å | ||
| 322 | T | 53.4 | Low | 66.9 | Low | 97 Ų | 97 | 87.8 Ų | 87.8 | 60% | 0.595 | 52% | 0.517 | S | S | * | . | trans | -62.2 | 84.5 | 164.3 | 42.3 | 0 | 0 | 0 | 0 | 107 | C320 V324 | C320-T322 PolarHBondContact O-N 3.48Å; T322-V324 PolarHBondContact O-N 2.89Å; T322-V324 VanDerWaalsContact O-N 3.12Å | ||
| 323 | G | 46.6 | Very low | 66.6 | Low | 40 Ų | 40 | 89.7 Ų | 89.7 | 41% | 0.412 | 53% | 0.53 | S | S | . | . | trans | -54.2 | 124.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | T321 N325 E326 | T321-G323 PolarHBondContact O-N 3.48Å; G323-N325 PolarHBondContact O-N 3.22Å; G323-E326 PolarHBondContact O-N 2.91Å | ||
| 324 | V | 50 | Low | 66.5 | Low | 139 Ų | 139 | 90.2 Ų | 90.2 | 84% | 0.842 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -6.7 | 176.8 | 176.1 | 0 | 0 | 0 | 0 | 113 | T322 | T322-V324 PolarHBondContact O-N 2.89Å; T322-V324 VanDerWaalsContact O-N 3.12Å |
| 325 | N | 44.3 | Very low | 66.4 | Low | 156 Ų | 156 | 89.8 Ų | 89.8 | 83% | 0.834 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -7.2 | -172.3 | -58.9 | -21.8 | 0 | 0 | 0 | 115.9 | G323 | G323-N325 PolarHBondContact O-N 3.22Š|
| 326 | E | 49.9 | Very low | 66.5 | Low | 156 Ų | 156 | 90.7 Ų | 90.7 | 73% | 0.729 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -89 | -20 | -176.3 | -88.1 | -171.7 | 170.9 | 0 | 0 | 114.9 | G323 | G323-E326 PolarHBondContact O-N 2.91Š|
| 327 | W | 47.7 | Very low | 67 | Low | 147 Ų | 147 | 94.1 Ų | 94.1 | 56% | 0.557 | 54% | 0.536 | S | S | * | . | trans | -131 | 128.8 | 176.7 | -67.3 | 81.9 | 0 | 0 | 0 | 109.6 | I329 | W327-I329 WeakPolarHBondContact CB-O 3.4Å; W327-I329 PolarHBondContact O-N 3.4Å | ||
| 328 | P | 49 | Very low | 67.7 | Low | 135 Ų | 135 | 89.9 Ų | 89.9 | 88% | 0.877 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -66.4 | -8.1 | 178.8 | 26.2 | -33 | 0 | 0 | 0 | 112.9 | ||
| 329 | I | 58.9 | Low | 68.3 | Low | 101 Ų | 101 | 86.2 Ų | 86.2 | 52% | 0.518 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -127.3 | 127.6 | 176.2 | -54.5 | 173 | 0 | 0 | 0 | 106.4 | W327 L331 T333 A334 | W327-I329 WeakPolarHBondContact CB-O 3.4Å; W327-I329 PolarHBondContact O-N 3.4Å; I329-L331 PolarHBondContact O-N 2.94Å; I329-T333 HydrophobicContact CG2-CG2 4.08Å; I329-A334 HydrophobicContact CG2-CB 4.28Å |
| 330 | D | 73.1 | Confident | 69.4 | Low | 100 Ų | 100 | 84.3 Ų | 84.3 | 54% | 0.535 | 47% | 0.465 | S | S | . | . | trans | -52.4 | 130.3 | 172.7 | -177.7 | 7.8 | 0 | 0 | 0 | 110.2 | D332 T333 A334 | D330-D332 PolarHBondContact O-N 3.06Å; D330-D332 PolarHBondContact OD1-N 3.34Å; D330-T333 WeakPolarHBondContact O-CA 3.41Å; D330-T333 WeakPolarHBondContact O-CB 3.45Å; D330-T333 PolarHBondContact O-N 3.38Å; D330-A334 PolarHBondContact O-N 3.49Å | ||
| 331 | L | 76.3 | Confident | 70.6 | Confident | 22 Ų | 22 | 82.4 Ų | 82.4 | 12% | 0.115 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -57.5 | -34.7 | -174.1 | -179 | 61.6 | 0 | 0 | 0 | 111.1 | F308 N312 I329 A334 R335 | F308-L331 HydrophobicContact CB-CD1 4.43Å; F308-L331 HydrophobicContact CD1-CD1 4.11Å; N312-L331 HydrophobicContact CB-CD2 3.97Å; N312-L331 WeakPolarHBondContact OD1-CD2 3.35Å; I329-L331 PolarHBondContact O-N 2.94Å; L331-A334 PolarHBondContact O-N 3.44Å; L331-R335 WeakPolarHBondContact O-CB 3.44Å; L331-R335 VanDerWaalsContact O-CG 3.24Å; L331-R335 WeakPolarHBondContact O-CG 3.47Å; L331-R335 PolarHBondContact O-N 3.3Å |
| 332 | D | 74 | Confident | 72.5 | Confident | 97 Ų | 97 | 76.8 Ų | 76.8 | 52% | 0.519 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 176.5 | -72.3 | -29.7 | 0 | 0 | 0 | 111.9 | D330 R335 L336 | D330-D332 PolarHBondContact O-N 3.06Å; D330-D332 PolarHBondContact OD1-N 3.34Å; D332-R335 PolarHBondContact O-N 2.94Å; D332-R335 IonicContact OD1-NH1 3.34Å; D332-L336 WeakPolarHBondContact O-CB 3.38Å; D332-L336 PolarHBondContact O-N 3.03Å |
| 333 | T | 80.7 | Confident | 74.5 | Confident | 76 Ų | 76 | 72.7 Ų | 72.7 | 47% | 0.466 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 173.5 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | I329 D330 L336 F337 | I329-T333 HydrophobicContact CG2-CG2 4.08Å; D330-T333 WeakPolarHBondContact O-CA 3.41Å; D330-T333 WeakPolarHBondContact O-CB 3.45Å; D330-T333 PolarHBondContact O-N 3.38Å; T333-L336 PolarHBondContact O-N 2.85Å; T333-F337 PolarHBondContact O-N 3.48Å |
| 334 | A | 84.8 | Confident | 76.9 | Confident | 14 Ų | 14 | 73.7 Ų | 73.7 | 12% | 0.116 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F308 I329 D330 L331 A338 | F308-A334 HydrophobicContact CD2-CB 4.15Å; F308-A334 HydrophobicContact CE1-CB 4.31Å; F308-A334 HydrophobicContact CE2-CB 3.86Å; F308-A334 HydrophobicContact CZ-CB 3.95Å; I329-A334 HydrophobicContact CG2-CB 4.28Å; D330-A334 PolarHBondContact O-N 3.49Å; L331-A334 PolarHBondContact O-N 3.44Å; A334-A338 VanDerWaalsContact O-CB 3.27Å; A334-A338 WeakPolarHBondContact O-CB 3.47Å; A334-A338 PolarHBondContact O-N 2.95Å |
| 335 | R | 86 | Confident | 79.2 | Confident | 73 Ų | 73 | 67.2 Ų | 67.2 | 28% | 0.275 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 175.3 | -73.4 | 175.3 | 76.1 | -154.9 | -0.9 | 112.1 | F308 D309 N312 L331 D332 A338 G339 | F308-R335 HydrophobicContact CB-CG 3.53Å; F308-R335 HydrophobicContact CG-CG 4.42Å; D309-R335 IonicContact OD1-CZ 3.55Å; D309-R335 IonicContact OD1-NE 2.82Å; D309-R335 PolarHBondContact OD1-NE 2.99Å; D309-R335 IonicContact OD1-NH2 3.94Å; D309-R335 PolarHBondContact OD1-NH2 3.32Å; N312-R335 PolarHBondContact ND2-NH1 3.47Å; L331-R335 WeakPolarHBondContact O-CB 3.44Å; L331-R335 VanDerWaalsContact O-CG 3.24Å; L331-R335 WeakPolarHBondContact O-CG 3.47Å; L331-R335 PolarHBondContact O-N 3.3Å; D332-R335 PolarHBondContact O-N 2.94Å; D332-R335 IonicContact OD1-NH1 3.34Å; R335-A338 PolarHBondContact O-N 3.07Å; R335-G339 PolarHBondContact O-N 3.36Å |
| 336 | L | 86.6 | Confident | 81.7 | Confident | 47 Ų | 47 | 59.9 Ų | 59.9 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.3 | -52.9 | 175.5 | -175.9 | 70.9 | 0 | 0 | 0 | 111 | L29 F38 D332 T333 A338 G339 V340 | L29-L336 HydrophobicContact CD1-CD2 3.43Å; L29-L336 VanDerWaalsContact CD1-CD2 3.43Å; L29-L336 HydrophobicContact CD2-CD2 4.18Å; L29-L336 HydrophobicContact CG-CD2 4.46Å; F38-L336 HydrophobicContact CE2-CD1 4.43Å; F38-L336 HydrophobicContact CZ-CD1 3.65Å; D332-L336 WeakPolarHBondContact O-CB 3.38Å; D332-L336 PolarHBondContact O-N 3.03Å; T333-L336 PolarHBondContact O-N 2.85Å; L336-A338 VanDerWaalsContact C-N 3.29Å; L336-A338 PolarHBondContact O-N 3.13Å; L336-G339 WeakPolarHBondContact O-CA 3.29Å; L336-G339 PolarHBondContact O-N 3.16Å; L336-G339 VanDerWaalsContact O-N 3.09Å; L336-V340 WeakPolarHBondContact O-CG2 3.49Å; L336-V340 PolarHBondContact O-N 3.14Å |
| 337 | F | 90.1 | Very high | 84 | Confident | 133 Ų | 133 | 53 Ų | 53 | 58% | 0.583 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57.2 | -44.8 | 177.4 | 176.6 | -101.2 | 0 | 0 | 0 | 111.7 | T333 G339 V340 L341 | T333-F337 PolarHBondContact O-N 3.48Å; F337-G339 VanDerWaalsContact C-N 3.33Å; F337-G339 PolarHBondContact O-N 2.65Å; F337-V340 PolarHBondContact O-N 3.05Å; F337-L341 HydrophobicContact CD1-CD1 4.15Å; F337-L341 HydrophobicContact CD1-CG 4.48Å; F337-L341 HydrophobicContact CE1-CD1 3.63Å; F337-L341 HydrophobicContact CE1-CD2 4.47Å; F337-L341 HydrophobicContact CE1-CG 4.09Å; F337-L341 HydrophobicContact CZ-CD1 4.18Å; F337-L341 HydrophobicContact CZ-CD2 4.19Å; F337-L341 HydrophobicContact CZ-CG 4.26Å; F337-L341 PolarHBondContact O-N 2.94Å; F337-L341 VanDerWaalsContact O-N 3.09Å |
| 338 | A | 92.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -35.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | P304 K305 F308 A334 R335 L336 L341 V342 | P304-A338 HydrophobicContact CB-CB 3.82Å; K305-A338 HydrophobicContact CB-CB 3.87Å; F308-A338 HydrophobicContact CD2-CB 3.97Å; F308-A338 HydrophobicContact CE2-CB 4.37Å; A334-A338 VanDerWaalsContact O-CB 3.27Å; A334-A338 WeakPolarHBondContact O-CB 3.47Å; A334-A338 PolarHBondContact O-N 2.95Å; R335-A338 PolarHBondContact O-N 3.07Å; L336-A338 VanDerWaalsContact C-N 3.29Å; L336-A338 PolarHBondContact O-N 3.13Å; A338-L341 PolarHBondContact O-N 3.33Å; A338-V342 PolarHBondContact O-N 2.98Å |
| 339 | G | 92 | Very high | 88.4 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R335 L336 F337 L341 V342 L343 | R335-G339 PolarHBondContact O-N 3.36Å; L336-G339 WeakPolarHBondContact O-CA 3.29Å; L336-G339 PolarHBondContact O-N 3.16Å; L336-G339 VanDerWaalsContact O-N 3.09Å; F337-G339 VanDerWaalsContact C-N 3.33Å; F337-G339 PolarHBondContact O-N 2.65Å; G339-L341 VanDerWaalsContact C-N 3.31Å; G339-L341 PolarHBondContact O-N 3.34Å; G339-V342 PolarHBondContact O-N 3.36Å; G339-V342 VanDerWaalsContact O-N 3.16Å; G339-L343 PolarHBondContact O-N 3.31Å; G339-L343 VanDerWaalsContact O-N 3.12Å |
| 340 | V | 94.2 | Very high | 90.1 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 14% | 0.139 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -39.1 | 176.6 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | A37 F38 L336 F337 V342 L343 Y344 | A37-V340 HydrophobicContact CB-CG1 4.42Å; A37-V340 HydrophobicContact CB-CG2 3.65Å; F38-V340 HydrophobicContact CE1-CG2 4.45Å; F38-V340 HydrophobicContact CZ-CG2 4.42Å; L336-V340 WeakPolarHBondContact O-CG2 3.49Å; L336-V340 PolarHBondContact O-N 3.14Å; F337-V340 PolarHBondContact O-N 3.05Å; V340-V342 VanDerWaalsContact C-N 3.31Å; V340-V342 PolarHBondContact O-N 3.11Å; V340-L343 PolarHBondContact O-N 2.88Å; V340-L343 VanDerWaalsContact O-N 3.14Å; V340-Y344 HydrophobicContact CG1-CD2 3.71Å; V340-Y344 HydrophobicContact CG1-CE2 3.79Å; V340-Y344 WeakPolarHBondContact O-CD2 3.43Å; V340-Y344 PolarHBondContact O-N 2.98Å |
| 341 | L | 96.1 | Very high | 91.1 | Very high | 35 Ų | 35 | 37.9 Ų | 37.9 | 18% | 0.183 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -38.4 | 175.8 | -70.1 | 178.9 | 0 | 0 | 0 | 113 | C301 P304 F337 A338 G339 Y344 Y345 | C301-L341 PolarHBondContact SG-O 2.84Å; C301-L341 VanDerWaalsContact SG-O 3.41Å; P304-L341 HydrophobicContact CG-CD1 4.38Å; F337-L341 HydrophobicContact CD1-CD1 4.15Å; F337-L341 HydrophobicContact CD1-CG 4.48Å; F337-L341 HydrophobicContact CE1-CD1 3.63Å; F337-L341 HydrophobicContact CE1-CD2 4.47Å; F337-L341 HydrophobicContact CE1-CG 4.09Å; F337-L341 HydrophobicContact CZ-CD1 4.18Å; F337-L341 HydrophobicContact CZ-CD2 4.19Å; F337-L341 HydrophobicContact CZ-CG 4.26Å; F337-L341 PolarHBondContact O-N 2.94Å; F337-L341 VanDerWaalsContact O-N 3.09Å; A338-L341 PolarHBondContact O-N 3.33Å; G339-L341 VanDerWaalsContact C-N 3.31Å; G339-L341 PolarHBondContact O-N 3.34Å; L341-Y344 PolarHBondContact O-N 2.91Å; L341-Y345 PolarHBondContact O-N 3.46Å |
| 342 | V | 95.8 | Very high | 91.8 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 7% | 0.073 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.7 | -40.3 | 174.5 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | C301 W302 K305 A338 G339 V340 Y344 Y345 | C301-V342 WeakPolarHBondContact O-CG2 3.49Å; W302-V342 HydrophobicContact CH2-CG1 4.45Å; W302-V342 HydrophobicContact CZ2-CG1 4.18Å; K305-V342 HydrophobicContact CB-CG2 4.06Å; K305-V342 HydrophobicContact CD-CB 4.41Å; K305-V342 HydrophobicContact CD-CG2 3.75Å; A338-V342 PolarHBondContact O-N 2.98Å; G339-V342 PolarHBondContact O-N 3.36Å; G339-V342 VanDerWaalsContact O-N 3.16Å; V340-V342 VanDerWaalsContact C-N 3.31Å; V340-V342 PolarHBondContact O-N 3.11Å; V342-Y344 VanDerWaalsContact C-N 3.3Å; V342-Y344 PolarHBondContact O-N 3.37Å; V342-Y345 WeakPolarHBondContact O-CB 3.09Å; V342-Y345 PolarHBondContact O-N 3.02Å; V342-Y345 VanDerWaalsContact O-N 3.1Å |
| 343 | L | 95.9 | Very high | 92.4 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.7 | -33.5 | 177.9 | -67.8 | 176.9 | 0 | 0 | 0 | 112.9 | F38 P41 N88 G339 V340 Y345 P346 | F38-L343 HydrophobicContact CD1-CD1 3.45Å; F38-L343 VanDerWaalsContact CD1-CD1 3.45Å; F38-L343 HydrophobicContact CE1-CD1 3.95Å; F38-L343 HydrophobicContact CG-CD1 4.47Å; P41-L343 HydrophobicContact CB-CB 3.96Å; P41-L343 VanDerWaalsContact CB-O 3.29Å; P41-L343 WeakPolarHBondContact CB-O 3.37Å; P41-L343 HydrophobicContact CG-CB 4.2Å; N88-L343 HydrophobicContact CB-CD1 4.09Å; N88-L343 HydrophobicContact CB-CD2 4.21Å; G339-L343 PolarHBondContact O-N 3.31Å; G339-L343 VanDerWaalsContact O-N 3.12Å; V340-L343 PolarHBondContact O-N 2.88Å; V340-L343 VanDerWaalsContact O-N 3.14Å; L343-Y345 VanDerWaalsContact C-N 3.28Å; L343-Y345 PolarHBondContact O-N 3.2Å; L343-P346 WeakPolarHBondContact O-CD 3.06Å |
| 344 | Y | 97.3 | Very high | 92.6 | Very high | 61 Ų | 61 | 33.1 Ų | 33.1 | 24% | 0.239 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -76.8 | -12.3 | 174.7 | -89.8 | -75.9 | 0 | 0 | 0 | 114.1 | F36 P41 V340 L341 V342 T347 I348 | F36-Y344 PolarHBondContact O-OH 3.06Å; P41-Y344 HydrophobicContact CB-CD1 4.17Å; P41-Y344 HydrophobicContact CB-CD2 4.24Å; P41-Y344 HydrophobicContact CB-CE1 4.32Å; P41-Y344 HydrophobicContact CB-CE2 4.42Å; P41-Y344 HydrophobicContact CB-CG 4.14Å; P41-Y344 HydrophobicContact CG-CD1 4.25Å; P41-Y344 HydrophobicContact CG-CD2 3.72Å; P41-Y344 HydrophobicContact CG-CE1 4.05Å; P41-Y344 HydrophobicContact CG-CE2 3.53Å; P41-Y344 HydrophobicContact CG-CG 4.1Å; V340-Y344 HydrophobicContact CG1-CD2 3.71Å; V340-Y344 HydrophobicContact CG1-CE2 3.79Å; V340-Y344 WeakPolarHBondContact O-CD2 3.43Å; V340-Y344 PolarHBondContact O-N 2.98Å; L341-Y344 PolarHBondContact O-N 2.91Å; V342-Y344 VanDerWaalsContact C-N 3.3Å; V342-Y344 PolarHBondContact O-N 3.37Å; Y344-T347 WeakPolarHBondContact O-CB 3.39Å; Y344-T347 PolarHBondContact O-N 2.67Å; Y344-T347 VanDerWaalsContact O-N 3.16Å; Y344-I348 WeakPolarHBondContact O-CG1 3.28Å; Y344-I348 PolarHBondContact O-N 2.88Å |
| 345 | Y | 97.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.6 | -49.5 | -176 | -177.9 | -95.2 | 0 | 0 | 0 | 114 | L80 M121 Q125 V297 F298 C301 W302 L341 V342 L343 T347 I348 S349 | L80-Y345 HydrophobicContact CD2-CD1 4.42Å; M121-Y345 HydrophobicContact CE-CD1 4.31Å; M121-Y345 HydrophobicContact CE-CE1 3.89Å; M121-Y345 HydrophobicContact CG-CE1 4.44Å; M121-Y345 HydrophobicContact SD-CD1 3.39Å; M121-Y345 WeakPolarHBondContact SD-CD1 3.35Å; M121-Y345 HydrophobicContact SD-CE1 3.21Å; M121-Y345 WeakPolarHBondContact SD-CE1 3.39Å; Q125-Y345 PolarHBondContact NE2-OH 2.78Å; Q125-Y345 PolarHBondContact OE1-OH 3.18Å; V297-Y345 HydrophobicContact CG1-CD2 3.87Å; V297-Y345 HydrophobicContact CG1-CE2 3.75Å; F298-Y345 HydrophobicContact CB-CE2 4.33Å; F298-Y345 HydrophobicContact CD2-CE2 4.34Å; C301-Y345 HydrophobicContact CB-CD2 3.58Å; C301-Y345 HydrophobicContact CB-CE2 4.48Å; C301-Y345 HydrophobicContact CB-CG 4.3Å; W302-Y345 AromaticContact CD1-CD2 3.87Å; W302-Y345 AromaticContact NE1-CD1 3.69Å; W302-Y345 AromaticContact NE1-CD2 3.62Å; W302-Y345 AromaticContact NE1-CE2 3.91Å; W302-Y345 AromaticContact NE1-CG 3.48Å; L341-Y345 PolarHBondContact O-N 3.46Å; V342-Y345 WeakPolarHBondContact O-CB 3.09Å; V342-Y345 PolarHBondContact O-N 3.02Å; V342-Y345 VanDerWaalsContact O-N 3.1Å; L343-Y345 VanDerWaalsContact C-N 3.28Å; L343-Y345 PolarHBondContact O-N 3.2Å; Y345-T347 VanDerWaalsContact C-N 3.25Å; Y345-T347 PolarHBondContact O-N 3.03Å; Y345-I348 PolarHBondContact O-N 3.13Å; Y345-S349 VanDerWaalsContact O-CB 3.27Å; Y345-S349 WeakPolarHBondContact O-CB 3.44Å; Y345-S349 PolarHBondContact O-N 2.63Å |
| 346 | P | 97.3 | Very high | 92 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.5 | -37.7 | 177.6 | -26.7 | 37.3 | 0 | 0 | 0 | 113.4 | N49 D77 L80 A81 L343 A350 | N49-P346 PolarHBondContact ND2-O 3.23Å; D77-P346 HydrophobicContact CB-CB 4.13Å; L80-P346 HydrophobicContact CB-CG 4.28Å; L80-P346 HydrophobicContact CD2-CG 3.96Å; L80-P346 HydrophobicContact CG-CG 4.3Å; A81-P346 HydrophobicContact CB-CB 3.97Å; A81-P346 HydrophobicContact CB-CG 3.98Å; L343-P346 WeakPolarHBondContact O-CD 3.06Å; P346-A350 VanDerWaalsContact O-CB 3.26Å; P346-A350 WeakPolarHBondContact O-CB 3.31Å; P346-A350 PolarHBondContact O-N 2.95Å |
| 347 | T | 97.2 | Very high | 91.3 | Very high | 11 Ų | 11 | 33.6 Ų | 33.6 | 7% | 0.067 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.8 | -49.2 | 178.2 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | P41 T44 G45 L48 Y344 Y345 A350 L351 | P41-T347 PolarHBondContact O-OG1 3.21Å; T44-T347 WeakPolarHBondContact OG1-CG2 3.26Å; T44-T347 PolarHBondContact OG1-OG1 2.96Å; G45-T347 VanDerWaalsContact CA-OG1 3.32Å; G45-T347 WeakPolarHBondContact CA-OG1 3.16Å; G45-T347 PolarHBondContact N-OG1 3.48Å; L48-T347 HydrophobicContact CD1-CG2 3.87Å; Y344-T347 WeakPolarHBondContact O-CB 3.39Å; Y344-T347 PolarHBondContact O-N 2.67Å; Y344-T347 VanDerWaalsContact O-N 3.16Å; Y345-T347 VanDerWaalsContact C-N 3.25Å; Y345-T347 PolarHBondContact O-N 3.03Å; T347-A350 PolarHBondContact O-N 2.03Å; T347-L351 HydrophobicContact CG2-CD1 4.16Å; T347-L351 WeakPolarHBondContact O-CB 2.91Å; T347-L351 VanDerWaalsContact O-CG 3.31Å; T347-L351 WeakPolarHBondContact O-CG 3Å; T347-L351 PolarHBondContact O-N 2.88Å |
| 348 | I | 96.4 | Very high | 90 | Very high | 60 Ų | 60 | 29.2 Ų | 29.2 | 31% | 0.308 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.5 | -43.7 | -179.2 | -61.5 | 166.2 | 0 | 0 | 0 | 110.5 | V297 Y344 Y345 L351 L352 | V297-I348 HydrophobicContact CB-CG2 4.4Å; V297-I348 HydrophobicContact CG1-CB 4.16Å; V297-I348 HydrophobicContact CG1-CG2 3.56Å; V297-I348 HydrophobicContact CG2-CG2 3.82Å; Y344-I348 WeakPolarHBondContact O-CG1 3.28Å; Y344-I348 PolarHBondContact O-N 2.88Å; Y345-I348 PolarHBondContact O-N 3.13Å; I348-L351 PolarHBondContact O-N 3.37Å; I348-L352 WeakPolarHBondContact O-CB 3.34Å; I348-L352 PolarHBondContact O-N 2.92Å |
| 349 | S | 94.2 | Very high | 88.5 | Confident | 20 Ų | 20 | 37 Ų | 37 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.9 | -51.1 | 175.1 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | D77 Y345 L351 L352 F353 | D77-S349 WeakPolarHBondContact OD2-CB 3.31Å; D77-S349 PolarHBondContact OD2-OG 2.93Å; Y345-S349 VanDerWaalsContact O-CB 3.27Å; Y345-S349 WeakPolarHBondContact O-CB 3.44Å; Y345-S349 PolarHBondContact O-N 2.63Å; S349-L351 PolarHBondContact O-N 3.45Å; S349-L352 PolarHBondContact O-N 3.35Å; S349-F353 PolarHBondContact O-N 2.93Å |
| 350 | A | 94.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L48 I52 P346 T347 F353 L354 | L48-A350 HydrophobicContact CB-CB 3.69Å; L48-A350 HydrophobicContact CD1-CB 4.23Å; I52-A350 HydrophobicContact CD1-CB 3.59Å; P346-A350 VanDerWaalsContact O-CB 3.26Å; P346-A350 WeakPolarHBondContact O-CB 3.31Å; P346-A350 PolarHBondContact O-N 2.95Å; T347-A350 PolarHBondContact O-N 2.03Å; A350-F353 PolarHBondContact O-N 3.4Å; A350-L354 WeakPolarHBondContact O-CG 2.93Å; A350-L354 PolarHBondContact O-N 3.23Å |
| 351 | L | 93.6 | Very high | 85.3 | Confident | 85 Ų | 85 | 41.3 Ų | 41.3 | 45% | 0.445 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 175.7 | -71.9 | 175.3 | 0 | 0 | 0 | 111.6 | L48 T347 I348 S349 F353 L354 V355 | L48-L351 HydrophobicContact CD1-CD2 3.8Å; L48-L351 HydrophobicContact CD1-CG 3.77Å; L48-L351 HydrophobicContact CD2-CD2 4.3Å; T347-L351 HydrophobicContact CG2-CD1 4.16Å; T347-L351 WeakPolarHBondContact O-CB 2.91Å; T347-L351 VanDerWaalsContact O-CG 3.31Å; T347-L351 WeakPolarHBondContact O-CG 3Å; T347-L351 PolarHBondContact O-N 2.88Å; I348-L351 PolarHBondContact O-N 3.37Å; S349-L351 PolarHBondContact O-N 3.45Å; L351-F353 VanDerWaalsContact C-N 3.28Å; L351-F353 PolarHBondContact O-N 3.49Å; L351-L354 PolarHBondContact O-N 3.15Å; L351-V355 WeakPolarHBondContact O-CB 3.31Å; L351-V355 VanDerWaalsContact O-CG2 3.3Å; L351-V355 WeakPolarHBondContact O-CG2 3.02Å; L351-V355 PolarHBondContact O-N 3.16Å |
| 352 | L | 91.6 | Very high | 83.9 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 17% | 0.173 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 176.6 | -177.5 | 63.9 | 0 | 0 | 0 | 110.5 | M293 V294 I348 S349 V355 T356 | M293-L352 HydrophobicContact CB-CD1 3.81Å; M293-L352 HydrophobicContact CB-CD2 3.82Å; M293-L352 HydrophobicContact CB-CG 4.49Å; M293-L352 HydrophobicContact CG-CD1 4.44Å; V294-L352 HydrophobicContact CB-CD2 4.42Å; V294-L352 HydrophobicContact CG2-CD2 3.6Å; I348-L352 WeakPolarHBondContact O-CB 3.34Å; I348-L352 PolarHBondContact O-N 2.92Å; S349-L352 PolarHBondContact O-N 3.35Å; L352-V355 PolarHBondContact O-N 3.19Å; L352-T356 HydrophobicContact CD1-CG2 3.88Å; L352-T356 HydrophobicContact CG-CG2 4.4Å; L352-T356 VanDerWaalsContact O-CB 3.32Å; L352-T356 WeakPolarHBondContact O-CB 3.29Å; L352-T356 VanDerWaalsContact O-CG2 3.25Å; L352-T356 WeakPolarHBondContact O-CG2 3.27Å; L352-T356 PolarHBondContact O-N 3.16Å; L352-T356 PolarHBondContact O-OG1 3.17Å |
| 353 | F | 86.2 | Confident | 82.3 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 15% | 0.154 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.6 | -49 | 176.3 | 180 | -103.8 | 0 | 0 | 0 | 112.3 | I52 L70 M290 S349 A350 L351 V355 T356 A357 V360 | I52-F353 HydrophobicContact CD1-CD1 3.89Å; I52-F353 HydrophobicContact CG1-CD1 4.14Å; I52-F353 HydrophobicContact CG2-CD1 4.12Å; I52-F353 HydrophobicContact CG2-CE1 4.02Å; L70-F353 HydrophobicContact CD1-CD1 4.35Å; L70-F353 HydrophobicContact CD1-CD2 3.75Å; L70-F353 HydrophobicContact CD1-CE1 3.88Å; L70-F353 HydrophobicContact CD1-CE2 3.22Å; L70-F353 HydrophobicContact CD1-CG 4.3Å; L70-F353 HydrophobicContact CD1-CZ 3.32Å; L70-F353 HydrophobicContact CD2-CE1 4.11Å; L70-F353 HydrophobicContact CD2-CE2 3.95Å; L70-F353 HydrophobicContact CD2-CZ 3.35Å; L70-F353 HydrophobicContact CG-CE2 4.21Å; L70-F353 HydrophobicContact CG-CZ 3.92Å; M290-F353 HydrophobicContact CE-CD2 4.46Å; S349-F353 PolarHBondContact O-N 2.93Å; A350-F353 PolarHBondContact O-N 3.4Å; L351-F353 VanDerWaalsContact C-N 3.28Å; L351-F353 PolarHBondContact O-N 3.49Å; F353-V355 VanDerWaalsContact C-N 3.32Å; F353-V355 PolarHBondContact O-N 3.17Å; F353-T356 PolarHBondContact O-N 3.25Å; F353-T356 PolarHBondContact O-OG1 2.91Å; F353-A357 HydrophobicContact CE1-CB 4.49Å; F353-A357 HydrophobicContact CE2-CB 4.08Å; F353-A357 HydrophobicContact CZ-CB 4.03Å; F353-A357 VanDerWaalsContact O-CB 3.26Å; F353-A357 WeakPolarHBondContact O-CB 3.06Å; F353-A357 PolarHBondContact O-N 2.95Å; F353-V360 HydrophobicContact CE1-CB 4.41Å; F353-V360 HydrophobicContact CE1-CG1 4.02Å; F353-V360 HydrophobicContact CE1-CG2 3.89Å; F353-V360 HydrophobicContact CZ-CG2 3.76Å |
| 354 | L | 85.6 | Confident | 80.7 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 14% | 0.141 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.7 | -36.6 | 179.9 | -70.8 | 171.7 | 0 | 0 | 0 | 113 | L48 I52 A350 L351 V360 | L48-L354 HydrophobicContact CD2-CD1 4.07Å; I52-L354 HydrophobicContact CD1-CG 4.32Å; I52-L354 HydrophobicContact CG1-CD2 4.1Å; I52-L354 HydrophobicContact CG1-CG 4.3Å; A350-L354 WeakPolarHBondContact O-CG 2.93Å; A350-L354 PolarHBondContact O-N 3.23Å; L351-L354 PolarHBondContact O-N 3.15Å; L354-V360 HydrophobicContact CD2-CG1 3.98Å |
| 355 | V | 82.5 | Confident | 79.2 | Confident | 101 Ų | 101 | 51.7 Ų | 51.7 | 61% | 0.612 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -71.9 | -40.1 | 178.1 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | L351 L352 F353 | L351-V355 WeakPolarHBondContact O-CB 3.31Å; L351-V355 VanDerWaalsContact O-CG2 3.3Å; L351-V355 WeakPolarHBondContact O-CG2 3.02Å; L351-V355 PolarHBondContact O-N 3.16Å; L352-V355 PolarHBondContact O-N 3.19Å; F353-V355 VanDerWaalsContact C-N 3.32Å; F353-V355 PolarHBondContact O-N 3.17Å |
| 356 | T | 74.2 | Confident | 77.8 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -87.2 | -18.1 | -172 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | M290 L352 F353 P358 | M290-T356 HydrophobicContact CB-CG2 3.75Å; M290-T356 HydrophobicContact CG-CG2 3.79Å; M290-T356 HydrophobicContact SD-CG2 4.43Å; M290-T356 PolarHBondContact SD-OG1 3.47Å; L352-T356 HydrophobicContact CD1-CG2 3.88Å; L352-T356 HydrophobicContact CG-CG2 4.4Å; L352-T356 VanDerWaalsContact O-CB 3.32Å; L352-T356 WeakPolarHBondContact O-CB 3.29Å; L352-T356 VanDerWaalsContact O-CG2 3.25Å; L352-T356 WeakPolarHBondContact O-CG2 3.27Å; L352-T356 PolarHBondContact O-N 3.16Å; L352-T356 PolarHBondContact O-OG1 3.17Å; F353-T356 PolarHBondContact O-N 3.25Å; F353-T356 PolarHBondContact O-OG1 2.91Å; T356-P358 WeakPolarHBondContact O-CD 3.5Å |
| 357 | A | 71.7 | Confident | 76.2 | Confident | 19 Ų | 19 | 60.8 Ų | 60.8 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | trans | -101.7 | 83.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F353 K359 V360 R361 | F353-A357 HydrophobicContact CE1-CB 4.49Å; F353-A357 HydrophobicContact CE2-CB 4.08Å; F353-A357 HydrophobicContact CZ-CB 4.03Å; F353-A357 VanDerWaalsContact O-CB 3.26Å; F353-A357 WeakPolarHBondContact O-CB 3.06Å; F353-A357 PolarHBondContact O-N 2.95Å; A357-K359 VanDerWaalsContact C-N 3.28Å; A357-K359 PolarHBondContact O-N 3.11Å; A357-V360 HydrophobicContact CB-CB 3.84Å; A357-V360 HydrophobicContact CB-CG2 3.56Å; A357-V360 WeakPolarHBondContact O-CB 3.04Å; A357-V360 PolarHBondContact O-N 2.9Å; A357-R361 PolarHBondContact O-N 3.36Å; A357-R361 VanDerWaalsContact O-N 3.1Å | ||
| 358 | P | 64.1 | Low | 74.7 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.1 | -35.2 | -175 | 24.5 | -36.4 | 0 | 0 | 0 | 113.6 | T356 V360 R361 E362 | T356-P358 WeakPolarHBondContact O-CD 3.5Å; P358-V360 VanDerWaalsContact C-N 3.31Å; P358-V360 PolarHBondContact O-N 3.28Å; P358-R361 WeakPolarHBondContact O-CB 3.48Å; P358-R361 PolarHBondContact O-N 3.45Å; P358-E362 PolarHBondContact O-N 3.27Å |
| 359 | K | 60.8 | Low | 73.3 | Confident | 163 Ų | 163 | 66.8 Ų | 66.8 | 71% | 0.709 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.6 | -31.1 | 176.1 | -69.2 | -174.2 | 178 | -179.6 | 0 | 112.9 | A357 K363 | A357-K359 VanDerWaalsContact C-N 3.28Å; A357-K359 PolarHBondContact O-N 3.11Å; K359-K363 WeakPolarHBondContact O-CG 3.46Å; K359-K363 PolarHBondContact O-N 3.02Å |
| 360 | V | 57.6 | Low | 71.8 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.1 | -46.6 | 173.5 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | I55 F62 F353 L354 A357 P358 E362 K363 C364 | I55-V360 HydrophobicContact CD1-CG1 4.31Å; I55-V360 HydrophobicContact CG2-CG1 4.18Å; F62-V360 HydrophobicContact CE1-CG2 3.86Å; F62-V360 HydrophobicContact CE2-CG2 4.37Å; F62-V360 HydrophobicContact CZ-CB 4.38Å; F62-V360 HydrophobicContact CZ-CG2 3.45Å; F62-V360 VanDerWaalsContact CZ-CG2 3.45Å; F353-V360 HydrophobicContact CE1-CB 4.41Å; F353-V360 HydrophobicContact CE1-CG1 4.02Å; F353-V360 HydrophobicContact CE1-CG2 3.89Å; F353-V360 HydrophobicContact CZ-CG2 3.76Å; L354-V360 HydrophobicContact CD2-CG1 3.98Å; A357-V360 HydrophobicContact CB-CB 3.84Å; A357-V360 HydrophobicContact CB-CG2 3.56Å; A357-V360 WeakPolarHBondContact O-CB 3.04Å; A357-V360 PolarHBondContact O-N 2.9Å; P358-V360 VanDerWaalsContact C-N 3.31Å; P358-V360 PolarHBondContact O-N 3.28Å; V360-E362 PolarHBondContact O-N 2.97Å; V360-K363 CarbonylContact O-C 3.19Å; V360-K363 PolarHBondContact O-N 2.04Å; V360-K363 VanDerWaalsContact O-N 3.08Å; V360-C364 PolarHBondContact O-N 2.94Å; V360-C364 PolarHBondContact O-SG 3.32Å |
| 361 | R | 62 | Low | 70.4 | Confident | 120 Ų | 120 | 75 Ų | 75 | 45% | 0.453 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 179.1 | -171.7 | -179.3 | 67.4 | -168.1 | 2.9 | 113.4 | A357 P358 K363 C364 K365 | A357-R361 PolarHBondContact O-N 3.36Å; A357-R361 VanDerWaalsContact O-N 3.1Å; P358-R361 WeakPolarHBondContact O-CB 3.48Å; P358-R361 PolarHBondContact O-N 3.45Å; R361-K363 VanDerWaalsContact C-N 3.28Å; R361-K363 PolarHBondContact O-N 3.37Å; R361-C364 WeakPolarHBondContact O-CB 3.43Å; R361-C364 PolarHBondContact O-N 2.85Å; R361-K365 WeakPolarHBondContact O-CG 3.36Å; R361-K365 PolarHBondContact O-N 3.11Å |
| 362 | E | 65.6 | Low | 68.8 | Low | 131 Ų | 131 | 77.5 Ų | 77.5 | 61% | 0.612 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.6 | -38.6 | 175.8 | -77.6 | 178.6 | 178.7 | 0 | 0 | 111.9 | P358 V360 K365 F366 | P358-E362 PolarHBondContact O-N 3.27Å; V360-E362 PolarHBondContact O-N 2.97Å; E362-K365 PolarHBondContact O-N 2.87Å; E362-F366 PolarHBondContact O-N 3.16Å |
| 363 | K | 64 | Low | 67.3 | Low | 61 Ų | 61 | 84 Ų | 84 | 27% | 0.265 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -74.2 | -34.1 | 176.6 | -73.8 | 176.4 | 170.9 | -149.3 | 0 | 113.5 | C59 F62 K359 V360 R361 K365 F366 L367 | C59-K363 HydrophobicContact CB-CD 4.36Å; F62-K363 HydrophobicContact CD2-CD 4.5Å; F62-K363 HydrophobicContact CE2-CD 3.69Å; F62-K363 HydrophobicContact CZ-CD 4.44Å; K359-K363 WeakPolarHBondContact O-CG 3.46Å; K359-K363 PolarHBondContact O-N 3.02Å; V360-K363 CarbonylContact O-C 3.19Å; V360-K363 PolarHBondContact O-N 2.04Å; V360-K363 VanDerWaalsContact O-N 3.08Å; R361-K363 VanDerWaalsContact C-N 3.28Å; R361-K363 PolarHBondContact O-N 3.37Å; K363-K365 VanDerWaalsContact C-N 3.31Å; K363-K365 PolarHBondContact O-N 2.99Å; K363-F366 PolarHBondContact O-N 3.02Å; K363-L367 WeakPolarHBondContact O-CG 3.38Å; K363-L367 PolarHBondContact O-N 2.86Å |
| 364 | C | 62.4 | Low | 65.8 | Low | 15 Ų | 15 | 90.9 Ų | 90.9 | 10% | 0.101 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -54.4 | -50.6 | 167.7 | -70.5 | 0 | 0 | 0 | 0 | 110.3 | I55 V360 R361 F366 L367 I368 | I55-C364 WeakPolarHBondContact CD1-SG 3.29Å; V360-C364 PolarHBondContact O-N 2.94Å; V360-C364 PolarHBondContact O-SG 3.32Å; R361-C364 WeakPolarHBondContact O-CB 3.43Å; R361-C364 PolarHBondContact O-N 2.85Å; C364-F366 VanDerWaalsContact C-N 3.29Å; C364-F366 PolarHBondContact O-N 3.03Å; C364-L367 PolarHBondContact O-N 3.41Å; C364-I368 WeakPolarHBondContact O-CB 3.15Å; C364-I368 VanDerWaalsContact O-CG1 3.25Å; C364-I368 WeakPolarHBondContact O-CG1 3.43Å; C364-I368 PolarHBondContact O-N 2.95Å |
| 365 | K | 65.9 | Low | 64.1 | Low | 130 Ų | 130 | 98.9 Ų | 98.9 | 57% | 0.565 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -57.6 | -45 | 178.4 | -71.6 | -176.7 | 177.7 | -170.2 | 0 | 110.8 | R361 E362 K363 I368 L369 | R361-K365 WeakPolarHBondContact O-CG 3.36Å; R361-K365 PolarHBondContact O-N 3.11Å; E362-K365 PolarHBondContact O-N 2.87Å; K363-K365 VanDerWaalsContact C-N 3.31Å; K363-K365 PolarHBondContact O-N 2.99Å; K365-I368 PolarHBondContact O-N 2.74Å; K365-L369 WeakPolarHBondContact O-CB 3.49Å; K365-L369 WeakPolarHBondContact O-CD1 3.36Å; K365-L369 WeakPolarHBondContact O-CG 3.11Å; K365-L369 PolarHBondContact O-N 3.14Å |
| 366 | F | 67 | Low | 62.3 | Low | 131 Ų | 131 | 99.7 Ų | 99.7 | 58% | 0.575 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | 178.1 | -172.4 | -97 | 0 | 0 | 0 | 113.2 | E362 K363 C364 L369 R370 | E362-F366 PolarHBondContact O-N 3.16Å; K363-F366 PolarHBondContact O-N 3.02Å; C364-F366 VanDerWaalsContact C-N 3.29Å; C364-F366 PolarHBondContact O-N 3.03Å; F366-L369 PolarHBondContact O-N 2.92Å; F366-R370 WeakPolarHBondContact O-CB 3.15Å; F366-R370 PolarHBondContact O-N 2.8Å |
| 367 | L | 63.6 | Low | 61 | Low | 64 Ų | 64 | 105.2 Ų | 105.2 | 34% | 0.335 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 178.1 | -73.4 | 170.2 | 0 | 0 | 0 | 112.2 | I55 K363 C364 R370 S371 | I55-L367 HydrophobicContact CG1-CD1 3.96Å; K363-L367 WeakPolarHBondContact O-CG 3.38Å; K363-L367 PolarHBondContact O-N 2.86Å; C364-L367 PolarHBondContact O-N 3.41Å; L367-R370 PolarHBondContact O-N 2.71Å; L367-S371 PolarHBondContact O-N 3.3Å |
| 368 | I | 65.7 | Low | 60 | Low | 89 Ų | 89 | 110.4 Ų | 110.4 | 46% | 0.456 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 176.5 | -66.3 | 166.6 | 0 | 0 | 0 | 111 | C364 K365 S371 K372 | C364-I368 WeakPolarHBondContact O-CB 3.15Å; C364-I368 VanDerWaalsContact O-CG1 3.25Å; C364-I368 WeakPolarHBondContact O-CG1 3.43Å; C364-I368 PolarHBondContact O-N 2.95Å; K365-I368 PolarHBondContact O-N 2.74Å; I368-S371 PolarHBondContact O-N 2.86Å; I368-S371 PolarHBondContact O-OG 3.08Å; I368-K372 PolarHBondContact O-N 2.9Å |
| 369 | L | 66.5 | Low | 59.3 | Low | 108 Ų | 108 | 120.9 Ų | 120.9 | 57% | 0.565 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.7 | -39.4 | 176.6 | -71.4 | 167.9 | 0 | 0 | 0 | 111.6 | K365 F366 K372 Q373 | K365-L369 WeakPolarHBondContact O-CB 3.49Å; K365-L369 WeakPolarHBondContact O-CD1 3.36Å; K365-L369 WeakPolarHBondContact O-CG 3.11Å; K365-L369 PolarHBondContact O-N 3.14Å; F366-L369 PolarHBondContact O-N 2.92Å; L369-K372 PolarHBondContact O-N 2.92Å; L369-Q373 PolarHBondContact O-N 3.46Å |
| 370 | R | 64 | Low | 59.2 | Low | 126 Ų | 126 | 118.8 Ų | 118.8 | 48% | 0.475 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68 | -34.4 | 177.4 | -164 | 177.8 | -172.1 | -173.3 | 2.3 | 112.6 | F366 L367 K372 Q373 R374 | F366-R370 WeakPolarHBondContact O-CB 3.15Å; F366-R370 PolarHBondContact O-N 2.8Å; L367-R370 PolarHBondContact O-N 2.71Å; R370-K372 VanDerWaalsContact C-N 3.33Å; R370-Q373 PolarHBondContact O-N 3.4Å; R370-R374 PolarHBondContact O-N 2.76Å |
| 371 | S | 63.1 | Low | 59.3 | Low | 67 Ų | 67 | 124.8 Ų | 124.8 | 47% | 0.469 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.2 | -30.7 | 174.3 | 74.1 | 0 | 0 | 0 | 0 | 112.3 | L367 I368 | L367-S371 PolarHBondContact O-N 3.3Å; I368-S371 PolarHBondContact O-N 2.86Å; I368-S371 PolarHBondContact O-OG 3.08Å |
| 372 | K | 60.5 | Low | 59.2 | Low | 138 Ų | 138 | 125.1 Ų | 125.1 | 60% | 0.6 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68 | -39.6 | 170.5 | -76.4 | -172.6 | 175.9 | -170.4 | 0 | 112.7 | I368 L369 R370 R374 R375 | I368-K372 PolarHBondContact O-N 2.9Å; L369-K372 PolarHBondContact O-N 2.92Å; R370-K372 VanDerWaalsContact C-N 3.33Å; K372-R374 VanDerWaalsContact C-N 3.28Å; K372-R374 PolarHBondContact O-N 3.29Å; K372-R375 PolarHBondContact O-N 2.75Å |
| 373 | Q | 60.3 | Low | 58.8 | Low | 170 Ų | 170 | 124.8 Ų | 124.8 | 79% | 0.794 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.4 | -20.5 | 176.7 | -95.2 | 179.6 | -18.2 | 0 | 0 | 114.4 | L369 R370 | L369-Q373 PolarHBondContact O-N 3.46Å; R370-Q373 PolarHBondContact O-N 3.4Å |
| 374 | R | 56 | Low | 58.5 | Low | 179 Ų | 179 | 128.8 Ų | 128.8 | 68% | 0.675 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -0.9 | 177.4 | -75.5 | -169.3 | -173.5 | -171.8 | 0.9 | 114.5 | R370 K372 P376 | R370-R374 PolarHBondContact O-N 2.76Å; K372-R374 VanDerWaalsContact C-N 3.28Å; K372-R374 PolarHBondContact O-N 3.29Å; R374-P376 VanDerWaalsContact O-CD 3.29Å; R374-P376 WeakPolarHBondContact O-CD 3.45Å |
| 375 | R | 48.3 | Very low | 58.2 | Low | 195 Ų | 195 | 136.3 Ų | 136.3 | 74% | 0.736 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -74.5 | 116.9 | 170.6 | -68.4 | -167.2 | -159.9 | -162.6 | 4 | 108.3 | K372 L377 | K372-R375 PolarHBondContact O-N 2.75Å; R375-L377 PolarHBondContact O-N 2.85Å |
| 376 | P | 44.6 | Very low | 57.6 | Low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 137.8 | 169.8 | 27.1 | -30.8 | 0 | 0 | 0 | 108.3 | R374 | R374-P376 VanDerWaalsContact O-CD 3.29Å; R374-P376 WeakPolarHBondContact O-CD 3.45Å |
| 377 | L | 48.3 | Very low | 56.9 | Low | 140 Ų | 140 | 137.2 Ų | 137.2 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 135.7 | 167.7 | -78.4 | 152.1 | 0 | 0 | 0 | 108 | R375 F379 | R375-L377 PolarHBondContact O-N 2.85Å; L377-F379 PolarHBondContact O-N 3.45Å; L377-F379 VanDerWaalsContact O-N 3.12Å |
| 378 | P | 50.6 | Low | 56.4 | Low | 127 Ų | 127 | 143.3 Ų | 143.3 | 83% | 0.825 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 117 | 169.1 | 28.4 | -29.2 | 0 | 0 | 0 | 106.8 | ||
| 379 | F | 48.6 | Very low | 55.5 | Low | 262 Ų | 262 | 148.3 Ų | 148.3 | 100% | 1.149 | 71% | 0.709 | S | S | * | * | trans | -90.9 | 0 | 167.2 | -91.2 | -81.6 | 0 | 0 | 0 | 109.3 | L377 | L377-F379 PolarHBondContact O-N 3.45Å; L377-F379 VanDerWaalsContact O-N 3.12Å |
Retrieved 379 of 379 residues in 240.5 ms
(Link to these results)