| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.1 | Very low | 64.5 | Low | 188 Ų | 188 | 106.5 Ų | 106.5 | 93% | 0.926 | 53% | 0.534 | S | S | * | . | 0 | -58.7 | 0 | -73.9 | -58.8 | -149.2 | 0 | 0 | 113.7 | R3 I4 F5 | M1-R3 PolarHBondContact O-N 3.09Å; M1-I4 PolarHBondContact O-N 3.48Å; M1-F5 PolarHBondContact O-N 3.4Å | |||
| 2 | P | 42.5 | Very low | 66.3 | Low | 100 Ų | 100 | 103.7 Ų | 103.7 | 65% | 0.649 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.9 | -42 | -170.9 | -22.4 | 31.8 | 0 | 0 | 0 | 114.2 | F5 E6 | P2-F5 PolarHBondContact O-N 3.4Å; P2-E6 WeakPolarHBondContact O-CG 3.49Å; P2-E6 PolarHBondContact O-N 3.44Å; P2-E6 VanDerWaalsContact O-N 3.15Å |
| 3 | R | 54.6 | Low | 68 | Low | 156 Ų | 156 | 96.4 Ų | 96.4 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.3 | -34.4 | -178.4 | -65.7 | -174.8 | -173.8 | 172.6 | 2.3 | 114 | M1 F5 E6 V7 | M1-R3 PolarHBondContact O-N 3.09Å; R3-F5 VanDerWaalsContact C-N 3.32Å; R3-E6 PolarHBondContact O-N 2.71Å; R3-V7 WeakPolarHBondContact O-CG2 3.3Å; R3-V7 PolarHBondContact O-N 3.31Å |
| 4 | I | 55.3 | Low | 69.5 | Low | 122 Ų | 122 | 92.2 Ų | 92.2 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.3 | -42.1 | 177.6 | -65.4 | 169.9 | 0 | 0 | 0 | 109.2 | M1 E6 V7 L8 | M1-I4 PolarHBondContact O-N 3.48Å; I4-E6 PolarHBondContact O-N 3.01Å; I4-V7 PolarHBondContact O-N 3.3Å; I4-L8 WeakPolarHBondContact O-CB 3.4Å; I4-L8 PolarHBondContact O-N 2.93Å |
| 5 | F | 65 | Low | 70.8 | Confident | 141 Ų | 141 | 93 Ų | 93 | 62% | 0.618 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.4 | -43 | 175.8 | -176.5 | -98.9 | 0 | 0 | 0 | 111.9 | M1 P2 R3 L8 V9 | M1-F5 PolarHBondContact O-N 3.4Å; P2-F5 PolarHBondContact O-N 3.4Å; R3-F5 VanDerWaalsContact C-N 3.32Å; F5-L8 WeakPolarHBondContact O-CB 3.47Å; F5-L8 PolarHBondContact O-N 2.93Å; F5-V9 HydrophobicContact CD1-CG2 4.12Å; F5-V9 HydrophobicContact CE1-CG2 3.75Å; F5-V9 HydrophobicContact CE2-CG2 4.43Å; F5-V9 HydrophobicContact CZ-CG2 3.92Å; F5-V9 VanDerWaalsContact O-CG2 3.28Å; F5-V9 WeakPolarHBondContact O-CG2 3.27Å; F5-V9 PolarHBondContact O-N 3.21Å |
| 6 | E | 66.9 | Low | 72.1 | Confident | 84 Ų | 84 | 88.8 Ų | 88.8 | 39% | 0.393 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 176 | -69.3 | 179.5 | 144.6 | 0 | 0 | 112.7 | P2 R3 I4 L8 V9 I10 R469 | P2-E6 WeakPolarHBondContact O-CG 3.49Å; P2-E6 PolarHBondContact O-N 3.44Å; P2-E6 VanDerWaalsContact O-N 3.15Å; R3-E6 PolarHBondContact O-N 2.71Å; I4-E6 PolarHBondContact O-N 3.01Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3Å; E6-V9 PolarHBondContact O-N 3.29Å; E6-I10 VanDerWaalsContact O-CG1 3.24Å; E6-I10 WeakPolarHBondContact O-CG1 3.31Å; E6-I10 PolarHBondContact O-N 3.47Å; E6-R469 IonicContact OE1-NH1 3.35Å; E6-R469 PolarHBondContact OE1-NH1 3.14Å |
| 7 | V | 69.6 | Low | 73.2 | Confident | 79 Ų | 79 | 83.6 Ų | 83.6 | 48% | 0.479 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 176.1 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | R3 I4 V9 I10 I11 | R3-V7 WeakPolarHBondContact O-CG2 3.3Å; R3-V7 PolarHBondContact O-N 3.31Å; I4-V7 PolarHBondContact O-N 3.3Å; V7-V9 VanDerWaalsContact C-N 3.34Å; V7-V9 PolarHBondContact O-N 3.21Å; V7-I10 WeakPolarHBondContact O-CB 3.36Å; V7-I10 PolarHBondContact O-N 2.88Å; V7-I11 HydrophobicContact CG1-CD1 3.9Å; V7-I11 WeakPolarHBondContact O-CG1 3.44Å; V7-I11 PolarHBondContact O-N 2.86Å |
| 8 | L | 75.4 | Confident | 74.2 | Confident | 98 Ų | 98 | 83.4 Ų | 83.4 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 175.9 | -171.2 | 77.1 | 0 | 0 | 0 | 111.2 | I4 F5 E6 I10 I11 V12 | I4-L8 WeakPolarHBondContact O-CB 3.4Å; I4-L8 PolarHBondContact O-N 2.93Å; F5-L8 WeakPolarHBondContact O-CB 3.47Å; F5-L8 PolarHBondContact O-N 2.93Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3Å; L8-I10 VanDerWaalsContact C-N 3.32Å; L8-I10 PolarHBondContact O-N 3.23Å; L8-I11 PolarHBondContact O-N 2.92Å; L8-V12 HydrophobicContact CG-CG2 4.4Å; L8-V12 WeakPolarHBondContact O-CB 3.45Å; L8-V12 VanDerWaalsContact O-CG2 3.25Å; L8-V12 WeakPolarHBondContact O-CG2 3.22Å; L8-V12 PolarHBondContact O-N 3.26Å |
| 9 | V | 79.5 | Confident | 75.1 | Confident | 42 Ų | 42 | 85.5 Ų | 85.5 | 26% | 0.255 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 176.9 | 170.5 | 0 | 0 | 0 | 0 | 111 | F5 E6 V7 I11 V12 V13 W462 | F5-V9 HydrophobicContact CD1-CG2 4.12Å; F5-V9 HydrophobicContact CE1-CG2 3.75Å; F5-V9 HydrophobicContact CE2-CG2 4.43Å; F5-V9 HydrophobicContact CZ-CG2 3.92Å; F5-V9 VanDerWaalsContact O-CG2 3.28Å; F5-V9 WeakPolarHBondContact O-CG2 3.27Å; F5-V9 PolarHBondContact O-N 3.21Å; E6-V9 PolarHBondContact O-N 3.29Å; V7-V9 VanDerWaalsContact C-N 3.34Å; V7-V9 PolarHBondContact O-N 3.21Å; V9-I11 PolarHBondContact O-N 3.34Å; V9-V12 PolarHBondContact O-N 3.39Å; V9-V13 HydrophobicContact CG1-CG2 4.26Å; V9-V13 WeakPolarHBondContact O-CB 3.4Å; V9-V13 VanDerWaalsContact O-CG2 3.28Å; V9-V13 WeakPolarHBondContact O-CG2 3.23Å; V9-V13 PolarHBondContact O-N 3.44Å; V9-W462 HydrophobicContact CG1-CH2 4.41Å; V9-W462 HydrophobicContact CG1-CZ3 4.23Å |
| 10 | I | 80.1 | Confident | 76 | Confident | 73 Ų | 73 | 81.2 Ų | 81.2 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.8 | -50.3 | 176 | -66.1 | 163.3 | 0 | 0 | 0 | 110.4 | E6 V7 L8 V12 V13 N14 W462 | E6-I10 VanDerWaalsContact O-CG1 3.24Å; E6-I10 WeakPolarHBondContact O-CG1 3.31Å; E6-I10 PolarHBondContact O-N 3.47Å; V7-I10 WeakPolarHBondContact O-CB 3.36Å; V7-I10 PolarHBondContact O-N 2.88Å; L8-I10 VanDerWaalsContact C-N 3.32Å; L8-I10 PolarHBondContact O-N 3.23Å; I10-V12 PolarHBondContact O-N 3Å; I10-V13 PolarHBondContact O-N 2.92Å; I10-N14 PolarHBondContact O-N 3.4Å; I10-N14 PolarHBondContact O-ND2 2.86Å; I10-W462 HydrophobicContact CB-CZ2 4.47Å; I10-W462 HydrophobicContact CG1-CH2 3.92Å; I10-W462 HydrophobicContact CG1-CZ2 3.66Å |
| 11 | I | 83.4 | Confident | 76.7 | Confident | 88 Ų | 88 | 77.3 Ų | 77.3 | 45% | 0.451 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | -179.2 | -67.7 | 167.5 | 0 | 0 | 0 | 110.1 | V7 L8 V9 V13 N14 L15 | V7-I11 HydrophobicContact CG1-CD1 3.9Å; V7-I11 WeakPolarHBondContact O-CG1 3.44Å; V7-I11 PolarHBondContact O-N 2.86Å; L8-I11 PolarHBondContact O-N 2.92Å; V9-I11 PolarHBondContact O-N 3.34Å; I11-V13 PolarHBondContact O-N 2.86Å; I11-N14 PolarHBondContact O-N 3.47Å; I11-L15 HydrophobicContact CG2-CD1 3.77Å; I11-L15 HydrophobicContact CG2-CG 4.23Å; I11-L15 WeakPolarHBondContact O-CB 3.38Å; I11-L15 VanDerWaalsContact O-CG 3.28Å; I11-L15 WeakPolarHBondContact O-CG 3.3Å; I11-L15 PolarHBondContact O-N 3.17Å |
| 12 | V | 86.9 | Confident | 79.2 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 44% | 0.442 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | -179.5 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | L8 V9 I10 N14 L15 V16 | L8-V12 HydrophobicContact CG-CG2 4.4Å; L8-V12 WeakPolarHBondContact O-CB 3.45Å; L8-V12 VanDerWaalsContact O-CG2 3.25Å; L8-V12 WeakPolarHBondContact O-CG2 3.22Å; L8-V12 PolarHBondContact O-N 3.26Å; V9-V12 PolarHBondContact O-N 3.39Å; I10-V12 PolarHBondContact O-N 3Å; V12-N14 VanDerWaalsContact C-N 3.35Å; V12-N14 PolarHBondContact O-N 3.38Å; V12-L15 PolarHBondContact O-N 3.46Å; V12-V16 HydrophobicContact CG1-CG2 4.37Å; V12-V16 VanDerWaalsContact O-CG2 3.27Å; V12-V16 WeakPolarHBondContact O-CG2 3.33Å; V12-V16 PolarHBondContact O-N 2.94Å |
| 13 | V | 88.3 | Confident | 81.4 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 6% | 0.055 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 178.5 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | V9 I10 I11 V16 Q17 T458 W462 V522 | V9-V13 HydrophobicContact CG1-CG2 4.26Å; V9-V13 WeakPolarHBondContact O-CB 3.4Å; V9-V13 VanDerWaalsContact O-CG2 3.28Å; V9-V13 WeakPolarHBondContact O-CG2 3.23Å; V9-V13 PolarHBondContact O-N 3.44Å; I10-V13 PolarHBondContact O-N 2.92Å; I11-V13 PolarHBondContact O-N 2.86Å; V13-V16 PolarHBondContact O-N 2.72Å; V13-Q17 WeakPolarHBondContact O-CG 3.06Å; V13-Q17 PolarHBondContact O-N 3.39Å; V13-T458 HydrophobicContact CG1-CG2 4.17Å; V13-W462 HydrophobicContact CG1-CD2 4.28Å; V13-W462 HydrophobicContact CG1-CG 4.12Å; V13-V522 HydrophobicContact CG2-CG1 4.45Å |
| 14 | N | 87.9 | Confident | 83 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 20% | 0.203 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 177.7 | -80.4 | -88.4 | 0 | 0 | 0 | 112.2 | I10 I11 V12 Q17 F18 | I10-N14 PolarHBondContact O-N 3.4Å; I10-N14 PolarHBondContact O-ND2 2.86Å; I11-N14 PolarHBondContact O-N 3.47Å; V12-N14 VanDerWaalsContact C-N 3.35Å; V12-N14 PolarHBondContact O-N 3.38Å; N14-Q17 PolarHBondContact O-N 3.16Å; N14-F18 WeakPolarHBondContact O-CB 3.43Å; N14-F18 PolarHBondContact O-N 3.44Å |
| 15 | L | 89.8 | Confident | 84.7 | Confident | 104 Ų | 104 | 55.8 Ų | 55.8 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 176 | -73.8 | 174.9 | 0 | 0 | 0 | 111.8 | I11 V12 F18 Y19 | I11-L15 HydrophobicContact CG2-CD1 3.77Å; I11-L15 HydrophobicContact CG2-CG 4.23Å; I11-L15 WeakPolarHBondContact O-CB 3.38Å; I11-L15 VanDerWaalsContact O-CG 3.28Å; I11-L15 WeakPolarHBondContact O-CG 3.3Å; I11-L15 PolarHBondContact O-N 3.17Å; V12-L15 PolarHBondContact O-N 3.46Å; L15-F18 PolarHBondContact O-N 3.02Å; L15-Y19 VanDerWaalsContact O-CB 3.29Å; L15-Y19 WeakPolarHBondContact O-CB 3.49Å; L15-Y19 PolarHBondContact O-N 3.02Å |
| 16 | V | 90.9 | Very high | 85.8 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 15% | 0.152 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 174.9 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | V12 V13 Y19 S20 V518 Y519 V522 | V12-V16 HydrophobicContact CG1-CG2 4.37Å; V12-V16 VanDerWaalsContact O-CG2 3.27Å; V12-V16 WeakPolarHBondContact O-CG2 3.33Å; V12-V16 PolarHBondContact O-N 2.94Å; V13-V16 PolarHBondContact O-N 2.72Å; V16-Y19 PolarHBondContact O-N 3.32Å; V16-S20 WeakPolarHBondContact O-CB 3.4Å; V16-S20 PolarHBondContact O-N 3.22Å; V16-V518 HydrophobicContact CG1-CG1 3.97Å; V16-V518 HydrophobicContact CG2-CG1 3.88Å; V16-Y519 HydrophobicContact CG1-CD1 3.62Å; V16-Y519 HydrophobicContact CG1-CE1 3.81Å; V16-V522 HydrophobicContact CG1-CG2 4.09Å |
| 17 | Q | 91.7 | Very high | 86.7 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 177.3 | -73.5 | 171.2 | -37.2 | 0 | 0 | 112.5 | V13 N14 S20 T458 F459 Y940 M944 | V13-Q17 WeakPolarHBondContact O-CG 3.06Å; V13-Q17 PolarHBondContact O-N 3.39Å; N14-Q17 PolarHBondContact O-N 3.16Å; Q17-S20 PolarHBondContact O-OG 3.23Å; Q17-T458 HydrophobicContact CG-CG2 4.31Å; Q17-F459 HydrophobicContact CB-CE1 4.45Å; Q17-F459 HydrophobicContact CB-CE2 4.22Å; Q17-F459 HydrophobicContact CB-CZ 3.83Å; Q17-F459 VanDerWaalsContact CD-CE1 3.44Å; Q17-F459 HydrophobicContact CG-CE1 4.29Å; Q17-F459 HydrophobicContact CG-CE2 4.03Å; Q17-F459 HydrophobicContact CG-CZ 3.9Å; Q17-F459 VanDerWaalsContact NE2-CE1 3.31Å; Q17-Y940 PolarHBondContact O-OH 2.76Å; Q17-M944 HydrophobicContact CB-SD 4.37Å |
| 18 | F | 91.5 | Very high | 87.6 | Confident | 79 Ų | 79 | 45.3 Ų | 45.3 | 35% | 0.346 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.9 | -49.8 | 175.7 | 172.1 | -98.4 | 0 | 0 | 0 | 111.2 | N14 L15 S20 I21 F22 V941 M944 | N14-F18 WeakPolarHBondContact O-CB 3.43Å; N14-F18 PolarHBondContact O-N 3.44Å; L15-F18 PolarHBondContact O-N 3.02Å; F18-S20 VanDerWaalsContact C-N 3.28Å; F18-S20 PolarHBondContact O-N 3.44Å; F18-I21 WeakPolarHBondContact O-CG1 3.42Å; F18-F22 AromaticContact CE1-CE2 3.88Å; F18-F22 HydrophobicContact CE1-CE2 3.88Å; F18-F22 HydrophobicContact CE2-CE2 4.46Å; F18-F22 AromaticContact CZ-CE2 3.84Å; F18-F22 HydrophobicContact CZ-CE2 3.84Å; F18-F22 HydrophobicContact CZ-CZ 4.35Å; F18-V941 HydrophobicContact CD2-CG2 4.05Å; F18-V941 HydrophobicContact CE2-CG2 3.67Å; F18-M944 HydrophobicContact CB-CE 4.01Å; F18-M944 HydrophobicContact CB-SD 4.33Å; F18-M944 HydrophobicContact CD2-CE 3.7Å; F18-M944 HydrophobicContact CG-CE 4.36Å |
| 19 | Y | 91.4 | Very high | 88.1 | Confident | 123 Ų | 123 | 42.7 Ų | 42.7 | 48% | 0.482 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69 | -26.8 | -177 | -172.2 | -104.3 | 0 | 0 | 0 | 112.9 | L15 V16 I21 F22 D23 Y519 | L15-Y19 VanDerWaalsContact O-CB 3.29Å; L15-Y19 WeakPolarHBondContact O-CB 3.49Å; L15-Y19 PolarHBondContact O-N 3.02Å; V16-Y19 PolarHBondContact O-N 3.32Å; Y19-I21 PolarHBondContact O-N 3.48Å; Y19-I21 VanDerWaalsContact O-N 3.09Å; Y19-F22 HydrophobicContact CD2-CD2 4.42Å; Y19-F22 PolarHBondContact O-N 3.47Å; Y19-D23 WeakPolarHBondContact CE1-OD1 3.09Å; Y19-D23 WeakPolarHBondContact CE1-OD2 3.25Å; Y19-D23 PolarHBondContact OH-OD1 3.19Å; Y19-Y519 WeakPolarHBondContact CD1-OH 3.43Å |
| 20 | S | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.4 | -30.4 | -179.1 | 73.7 | 0 | 0 | 0 | 0 | 114.7 | V16 Q17 F18 F22 D23 I24 | V16-S20 WeakPolarHBondContact O-CB 3.4Å; V16-S20 PolarHBondContact O-N 3.22Å; Q17-S20 PolarHBondContact O-OG 3.23Å; F18-S20 VanDerWaalsContact C-N 3.28Å; F18-S20 PolarHBondContact O-N 3.44Å; S20-F22 VanDerWaalsContact C-N 3.31Å; S20-F22 PolarHBondContact O-N 3.41Å; S20-D23 PolarHBondContact O-N 3.48Å; S20-I24 VanDerWaalsContact O-CB 3.28Å; S20-I24 WeakPolarHBondContact O-CB 3.34Å; S20-I24 WeakPolarHBondContact O-CD1 3.15Å; S20-I24 WeakPolarHBondContact O-CG1 3.08Å; S20-I24 PolarHBondContact O-N 3.18Å |
| 21 | I | 91.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66 | -36.6 | 179.6 | 73.2 | -172 | 0 | 0 | 0 | 111.6 | F18 Y19 Y25 Y26 F921 L924 I937 Y940 | F18-I21 WeakPolarHBondContact O-CG1 3.42Å; Y19-I21 PolarHBondContact O-N 3.48Å; Y19-I21 VanDerWaalsContact O-N 3.09Å; I21-Y25 WeakPolarHBondContact O-CB 3.25Å; I21-Y25 PolarHBondContact O-N 3.01Å; I21-Y26 HydrophobicContact CB-CE2 4.36Å; I21-Y26 HydrophobicContact CD1-CE2 4.48Å; I21-Y26 HydrophobicContact CG1-CD2 4.34Å; I21-Y26 HydrophobicContact CG1-CE2 4.21Å; I21-Y26 WeakPolarHBondContact O-CD2 3.32Å; I21-Y26 PolarHBondContact O-N 3.02Å; I21-F921 HydrophobicContact CG2-CD2 3.99Å; I21-F921 HydrophobicContact CG2-CE2 4.05Å; I21-L924 HydrophobicContact CB-CD1 3.83Å; I21-L924 HydrophobicContact CG2-CD1 3.44Å; I21-L924 VanDerWaalsContact CG2-CD1 3.44Å; I21-I937 HydrophobicContact CD1-CG2 4.18Å; I21-Y940 HydrophobicContact CD1-CD1 3.93Å; I21-Y940 HydrophobicContact CD1-CE1 4.17Å; I21-Y940 HydrophobicContact CG2-CD1 3.71Å; I21-Y940 HydrophobicContact CG2-CE1 3.27Å |
| 22 | F | 89.3 | Confident | 88.9 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 17% | 0.167 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.3 | -41.1 | -178.4 | -62.9 | -74.3 | 0 | 0 | 0 | 111.3 | F18 Y19 S20 Y26 T27 I111 T112 | F18-F22 AromaticContact CE1-CE2 3.88Å; F18-F22 HydrophobicContact CE1-CE2 3.88Å; F18-F22 HydrophobicContact CE2-CE2 4.46Å; F18-F22 AromaticContact CZ-CE2 3.84Å; F18-F22 HydrophobicContact CZ-CE2 3.84Å; F18-F22 HydrophobicContact CZ-CZ 4.35Å; Y19-F22 HydrophobicContact CD2-CD2 4.42Å; Y19-F22 PolarHBondContact O-N 3.47Å; S20-F22 VanDerWaalsContact C-N 3.31Å; S20-F22 PolarHBondContact O-N 3.41Å; F22-Y26 AromaticContact CD1-CD2 3.91Å; F22-Y26 HydrophobicContact CD1-CD2 3.91Å; F22-Y26 HydrophobicContact CE1-CD2 4.34Å; F22-Y26 CarbonylContact O-C 2.94Å; F22-Y26 PolarHBondContact O-N 2.96Å; F22-T27 PolarHBondContact O-N 3.5Å; F22-I111 HydrophobicContact CD1-CG2 4.22Å; F22-I111 HydrophobicContact CE1-CG2 4.09Å; F22-T112 HydrophobicContact CD1-CG2 4.03Å; F22-T112 HydrophobicContact CE1-CG2 4.48Å |
| 23 | D | 87.6 | Confident | 88.8 | Confident | 39 Ų | 39 | 39.6 Ų | 39.6 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75.3 | -20.3 | 178.2 | -81.6 | 1.4 | 0 | 0 | 0 | 114 | Y19 S20 T27 G515 Y519 | Y19-D23 WeakPolarHBondContact CE1-OD1 3.09Å; Y19-D23 WeakPolarHBondContact CE1-OD2 3.25Å; Y19-D23 PolarHBondContact OH-OD1 3.19Å; S20-D23 PolarHBondContact O-N 3.48Å; D23-T27 WeakPolarHBondContact O-CG2 3.13Å; D23-G515 WeakPolarHBondContact OD2-CA 3.32Å; D23-Y519 HydrophobicContact CB-CE2 3.78Å; D23-Y519 WeakPolarHBondContact CB-OH 3.26Å; D23-Y519 VanDerWaalsContact CG-OH 3.3Å; D23-Y519 PolarHBondContact OD2-OH 3.46Å |
| 24 | I | 89.7 | Confident | 88.8 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -101.3 | -44.6 | -177.1 | -63.3 | 170.3 | 0 | 0 | 0 | 111.7 | S20 R448 L451 V455 Y519 F921 | S20-I24 VanDerWaalsContact O-CB 3.28Å; S20-I24 WeakPolarHBondContact O-CB 3.34Å; S20-I24 WeakPolarHBondContact O-CD1 3.15Å; S20-I24 WeakPolarHBondContact O-CG1 3.08Å; S20-I24 PolarHBondContact O-N 3.18Å; I24-R448 HydrophobicContact CG2-CB 4.22Å; I24-R448 HydrophobicContact CG2-CG 4.03Å; I24-R448 WeakPolarHBondContact O-CG 3.46Å; I24-R448 PolarHBondContact O-NE 3.33Å; I24-L451 HydrophobicContact CD1-CB 3.67Å; I24-L451 HydrophobicContact CG1-CB 3.92Å; I24-L451 HydrophobicContact CG1-CD1 4.02Å; I24-V455 HydrophobicContact CD1-CG2 3.77Å; I24-Y519 HydrophobicContact CD1-CD2 4.37Å; I24-F921 HydrophobicContact CD1-CZ 4.12Å |
| 25 | Y | 89.8 | Confident | 88.9 | Confident | 30 Ų | 30 | 45.1 Ų | 45.1 | 12% | 0.118 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -37 | -172.7 | -72.2 | -99.1 | 0 | 0 | 0 | 112.9 | I21 R448 F921 L924 | I21-Y25 WeakPolarHBondContact O-CB 3.25Å; I21-Y25 PolarHBondContact O-N 3.01Å; Y25-R448 PolarHBondContact O-NH2 3Å; Y25-F921 HydrophobicContact CE2-CE1 4.42Å; Y25-F921 HydrophobicContact CE2-CE2 4.25Å; Y25-F921 AromaticContact CE2-CZ 3.97Å; Y25-F921 HydrophobicContact CE2-CZ 3.97Å; Y25-L924 HydrophobicContact CD1-CB 4.09Å; Y25-L924 HydrophobicContact CD2-CD1 3.97Å; Y25-L924 HydrophobicContact CE1-CB 4.06Å; Y25-L924 HydrophobicContact CE2-CD1 4.03Å; Y25-L924 HydrophobicContact CG-CB 4.33Å; Y25-L924 HydrophobicContact CG-CD1 4.45Å |
| 26 | Y | 88.2 | Confident | 89 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -107.5 | 38.9 | -170.7 | -50.8 | -60.8 | 0 | 0 | 0 | 113.2 | I21 F22 V108 A109 K925 D926 I933 I937 | I21-Y26 HydrophobicContact CB-CE2 4.36Å; I21-Y26 HydrophobicContact CD1-CE2 4.48Å; I21-Y26 HydrophobicContact CG1-CD2 4.34Å; I21-Y26 HydrophobicContact CG1-CE2 4.21Å; I21-Y26 WeakPolarHBondContact O-CD2 3.32Å; I21-Y26 PolarHBondContact O-N 3.02Å; F22-Y26 AromaticContact CD1-CD2 3.91Å; F22-Y26 HydrophobicContact CD1-CD2 3.91Å; F22-Y26 HydrophobicContact CE1-CD2 4.34Å; F22-Y26 CarbonylContact O-C 2.94Å; F22-Y26 PolarHBondContact O-N 2.96Å; Y26-V108 HydrophobicContact CD1-CG1 3.53Å; Y26-V108 HydrophobicContact CE1-CG1 4.18Å; Y26-V108 HydrophobicContact CG-CG1 4.5Å; Y26-A109 WeakPolarHBondContact O-CA 3.14Å; Y26-A109 WeakPolarHBondContact O-CB 3.36Å; Y26-K925 WeakPolarHBondContact CE1-O 3.47Å; Y26-K925 PolarHBondContact OH-O 2.88Å; Y26-D926 HydrophobicContact CE1-CB 4.33Å; Y26-I933 HydrophobicContact CE1-CG2 3.67Å; Y26-I937 HydrophobicContact CD2-CD1 4.42Å; Y26-I937 HydrophobicContact CE1-CD1 4.36Å; Y26-I937 HydrophobicContact CE2-CD1 3.66Å; Y26-I937 HydrophobicContact CE2-CG1 3.72Å; Y26-I937 WeakPolarHBondContact OH-CG1 3.44Å |
| 27 | T | 86.5 | Confident | 89.1 | Confident | 47 Ų | 47 | 43.6 Ų | 43.6 | 29% | 0.288 | 24% | 0.236 | S | C | . | . | trans | -84.9 | 151.7 | 174.8 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | F22 D23 H444 | F22-T27 PolarHBondContact O-N 3.5Å; D23-T27 WeakPolarHBondContact O-CG2 3.13Å; T27-H444 PolarHBondContact O-CE1 2.8Å; T27-H444 VanDerWaalsContact O-CE1 3.31Å; T27-H444 PolarHBondContact OG1-CE1 3.08Å; T27-H444 VanDerWaalsContact OG1-CE1 3.32Å | ||
| 28 | S | 87.4 | Confident | 89.1 | Confident | 33 Ų | 33 | 45.6 Ų | 45.6 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | trans | -60.8 | 132.6 | 176.9 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | L30 D107 H444 | S28-L30 WeakPolarHBondContact OG-CB 3.34Å; S28-L30 PolarHBondContact OG-N 3.11Å; S28-D107 VanDerWaalsContact CA-OD1 3.32Å; S28-D107 WeakPolarHBondContact CA-OD1 3.2Å; S28-D107 WeakPolarHBondContact CB-OD2 3.43Å; S28-D107 PolarHBondContact OG-OD2 3.26Å; S28-H444 PolarHBondContact O-CE1 2.97Å | ||
| 29 | P | 86.5 | Confident | 88.9 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | trans | -78.6 | -10.9 | 170.4 | 32.6 | -33.6 | 0 | 0 | 0 | 112.3 | D107 K382 | P29-D107 VanDerWaalsContact CD-OD1 3.31Å; P29-D107 WeakPolarHBondContact CD-OD1 3.23Å; P29-K382 VanDerWaalsContact O-CE 3.26Å; P29-K382 WeakPolarHBondContact O-CE 3.49Å; P29-K382 PolarHBondContact O-NZ 3.28Å | ||
| 30 | L | 88.3 | Confident | 88.4 | Confident | 18 Ų | 18 | 42.1 Ų | 42.1 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | trans | -73.8 | 141.5 | -174.3 | -59.6 | -179.7 | 0 | 0 | 0 | 112.3 | S28 F104 V120 F122 N347 | S28-L30 WeakPolarHBondContact OG-CB 3.34Å; S28-L30 PolarHBondContact OG-N 3.11Å; L30-F104 HydrophobicContact CD1-CE2 4.01Å; L30-F104 HydrophobicContact CD1-CZ 4.06Å; L30-F104 HydrophobicContact CD2-CD1 4.21Å; L30-F104 HydrophobicContact CD2-CD2 3.56Å; L30-F104 HydrophobicContact CD2-CE1 4.16Å; L30-F104 HydrophobicContact CD2-CE2 3.57Å; L30-F104 HydrophobicContact CD2-CG 3.94Å; L30-F104 HydrophobicContact CD2-CZ 3.87Å; L30-F104 HydrophobicContact CG-CE2 4.23Å; L30-V120 HydrophobicContact CD1-CB 4.28Å; L30-V120 HydrophobicContact CD1-CG1 4.04Å; L30-F122 HydrophobicContact CD1-CB 4.26Å; L30-N347 HydrophobicContact CD2-CB 3.83Å | ||
| 31 | T | 86.8 | Confident | 88.2 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.043 | 25% | 0.247 | C | C | . | . | trans | -103 | 145.8 | 175.3 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | M34 N347 Q378 K382 | T31-M34 WeakPolarHBondContact OG1-CE 3.26Å; T31-M34 PolarHBondContact OG1-SD 3Å; T31-N347 PolarHBondContact N-ND2 2.93Å; T31-N347 PolarHBondContact O-ND2 3.41Å; T31-Q378 HydrophobicContact CG2-CB 4.3Å; T31-Q378 WeakPolarHBondContact OG1-CG 3.08Å; T31-K382 HydrophobicContact CG2-CD 4.08Å; T31-K382 VanDerWaalsContact CG2-CE 3.41Å; T31-K382 HydrophobicContact CG2-CG 3.5Å; T31-K382 VanDerWaalsContact CG2-CG 3.5Å | ||
| 32 | H | 85.1 | Confident | 88 | Confident | 114 Ų | 114 | 47.9 Ų | 47.9 | 53% | 0.528 | 28% | 0.281 | S | S | . | . | trans | -112.7 | 159.5 | 178.9 | -66 | -48.6 | 0 | 0 | 0 | 112.1 | M34 V120 | H32-M34 VanDerWaalsContact C-N 3.33Å; H32-V120 WeakPolarHBondContact CE1-CG1 3.38Å; H32-V120 WeakPolarHBondContact NE2-CG1 3.37Å | ||
| 33 | G | 84.1 | Confident | 88.2 | Confident | 73 Ų | 73 | 46.3 Ų | 46.3 | 75% | 0.753 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 73.2 | 25.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 34 | M | 89.4 | Confident | 88.5 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 14% | 0.143 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 143.2 | 174.6 | -76.1 | -168 | -76.3 | 0 | 0 | 112.4 | T31 H32 V346 N347 Q378 I381 | T31-M34 WeakPolarHBondContact OG1-CE 3.26Å; T31-M34 PolarHBondContact OG1-SD 3Å; H32-M34 VanDerWaalsContact C-N 3.33Å; M34-V346 HydrophobicContact CB-CB 4.08Å; M34-V346 HydrophobicContact CE-CB 3.72Å; M34-V346 HydrophobicContact CE-CG2 3.82Å; M34-V346 WeakPolarHBondContact CE-O 3.1Å; M34-V346 HydrophobicContact SD-CB 4.33Å; M34-N347 HydrophobicContact CE-CB 4.35Å; M34-N347 WeakPolarHBondContact CE-ND2 3.44Å; M34-Q378 HydrophobicContact CE-CG 3.87Å; M34-Q378 HydrophobicContact SD-CB 4.16Å; M34-Q378 HydrophobicContact SD-CG 3.14Å; M34-Q378 WeakPolarHBondContact SD-CG 3.19Å; M34-I381 HydrophobicContact CB-CD1 4.42Å; M34-I381 HydrophobicContact CG-CD1 3.45Å; M34-I381 VanDerWaalsContact CG-CD1 3.45Å |
| 35 | N | 89.4 | Confident | 88.8 | Confident | 133 Ų | 133 | 44.9 Ų | 44.9 | 71% | 0.711 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -85.3 | 145.1 | 169.8 | -65.1 | -25 | 0 | 0 | 0 | 110 | ||
| 36 | I | 92.1 | Very high | 89.1 | Confident | 55 Ų | 55 | 43.7 Ų | 43.7 | 28% | 0.282 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 128.2 | 173.4 | -62.1 | 158.7 | 0 | 0 | 0 | 108.3 | P38 Y201 P343 V346 | I36-P38 WeakPolarHBondContact O-CD 3.33Å; I36-Y201 HydrophobicContact CG2-CD2 4.26Å; I36-P343 HydrophobicContact CG2-CB 3.35Å; I36-P343 HydrophobicContact CG2-CG 3.46Å; I36-P343 VanDerWaalsContact CG2-CG 3.46Å; I36-V346 HydrophobicContact CG1-CG1 4Å |
| 37 | I | 93.6 | Very high | 89.6 | Confident | 43 Ų | 43 | 43.5 Ų | 43.5 | 22% | 0.221 | 26% | 0.263 | C | S | . | . | trans | -93.7 | 113.9 | 175.1 | -57.5 | -60.4 | 0 | 0 | 0 | 109.6 | P343 A370 L373 | I37-P343 WeakPolarHBondContact O-CB 3.2Å; I37-A370 HydrophobicContact CG2-CB 4.12Å; I37-L373 HydrophobicContact CD1-CB 4.4Å; I37-L373 HydrophobicContact CG1-CB 4.21Å; I37-L373 HydrophobicContact CG2-CB 4.17Å; I37-L373 HydrophobicContact CG2-CD1 4.25Å | ||
| 38 | P | 90.8 | Very high | 90.1 | Very high | 44 Ų | 44 | 41.3 Ų | 41.3 | 29% | 0.286 | 25% | 0.25 | S | C | . | . | trans | -70.1 | 136.5 | 177.6 | 29.3 | -33.8 | 0 | 0 | 0 | 111 | I36 Y201 | I36-P38 WeakPolarHBondContact O-CD 3.33Å; P38-Y201 HydrophobicContact CB-CD1 4.18Å; P38-Y201 HydrophobicContact CB-CE1 4.01Å | ||
| 39 | L | 86.4 | Confident | 90.7 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | trans | -77.5 | -31.7 | -179.7 | -71.6 | 177.6 | 0 | 0 | 0 | 113.4 | I41 V342 L367 A370 | L39-I41 HydrophobicContact CB-CG1 4.09Å; L39-I41 PolarHBondContact O-N 3.16Å; L39-V342 WeakPolarHBondContact CD1-O 3.43Å; L39-L367 HydrophobicContact CD1-CD2 3.71Å; L39-L367 HydrophobicContact CD2-CD2 3.64Å; L39-L367 HydrophobicContact CG-CD2 4.2Å; L39-A370 HydrophobicContact CD2-CB 3.36Å | ||
| 40 | N | 81.7 | Confident | 91.3 | Very high | 120 Ų | 120 | 37.8 Ų | 37.8 | 64% | 0.642 | 23% | 0.226 | S | C | * | . | trans | 48.4 | 43.2 | -177.5 | -62.9 | -22.8 | 0 | 0 | 0 | 113.8 | K366 | N40-K366 PolarHBondContact O-NZ 3.41Å; N40-K366 VanDerWaalsContact O-NZ 3.12Å | ||
| 41 | I | 88.2 | Confident | 91.7 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 9% | 0.092 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -115.1 | 157.4 | 172 | 63.1 | 158.5 | 0 | 0 | 0 | 110.2 | L39 A43 D363 K366 L367 | L39-I41 HydrophobicContact CB-CG1 4.09Å; L39-I41 PolarHBondContact O-N 3.16Å; I41-A43 PolarHBondContact O-N 3.33Å; I41-D363 HydrophobicContact CG2-CB 4.13Å; I41-K366 HydrophobicContact CG2-CB 3.97Å; I41-K366 HydrophobicContact CG2-CD 3.81Å; I41-L367 HydrophobicContact CD1-CD1 4.19Å; I41-L367 HydrophobicContact CD1-CD2 3.54Å; I41-L367 HydrophobicContact CD1-CG 4Å; I41-L367 HydrophobicContact CG1-CD2 4.34Å |
| 42 | S | 87.9 | Confident | 92.3 | Very high | 102 Ų | 102 | 36.6 Ų | 36.6 | 71% | 0.713 | 22% | 0.219 | S | C | * | . | trans | -74.3 | 121.4 | 168.1 | -64.7 | 0 | 0 | 0 | 0 | 108.9 | P44 | S42-P44 VanDerWaalsContact O-CD 3.23Å; S42-P44 WeakPolarHBondContact O-CD 3.43Å; S42-P44 VanDerWaalsContact O-N 3.17Å | ||
| 43 | A | 92.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 5% | 0.05 | 19% | 0.194 | C | C | . | . | trans | -56.9 | 117.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I41 T45 R256 L340 | I41-A43 PolarHBondContact O-N 3.33Å; A43-T45 WeakPolarHBondContact CB-O 3.41Å; A43-T45 PolarHBondContact O-N 3.29Å; A43-R256 PolarHBondContact O-NH2 2.85Å; A43-L340 WeakPolarHBondContact CB-O 3.3Å | ||
| 44 | P | 94.2 | Very high | 93.4 | Very high | 16 Ų | 16 | 27.8 Ų | 27.8 | 10% | 0.104 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -58.7 | -32.8 | 177.5 | -25.2 | 34.6 | 0 | 0 | 0 | 111.8 | S42 R256 S290 S338 L339 I359 | S42-P44 VanDerWaalsContact O-CD 3.23Å; S42-P44 WeakPolarHBondContact O-CD 3.43Å; S42-P44 VanDerWaalsContact O-N 3.17Å; P44-R256 WeakPolarHBondContact O-CD 3.31Å; P44-R256 PolarHBondContact O-NE 3.24Å; P44-S290 PolarHBondContact O-OG 2.97Å; P44-S338 VanDerWaalsContact CD-O 3.3Å; P44-S338 WeakPolarHBondContact CD-O 3.5Å; P44-L339 VanDerWaalsContact CD-O 3.28Å; P44-L339 WeakPolarHBondContact CD-O 3.24Å; P44-I359 HydrophobicContact CB-CG2 4.11Å; P44-I359 HydrophobicContact CG-CG2 3.61Å |
| 45 | T | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -125.4 | 153.9 | -177.9 | 75.3 | 0 | 0 | 0 | 0 | 111.1 | A43 A258 S290 L339 | A43-T45 WeakPolarHBondContact CB-O 3.41Å; A43-T45 PolarHBondContact O-N 3.29Å; T45-A258 HydrophobicContact CG2-CB 3.58Å; T45-S290 WeakPolarHBondContact CG2-O 3.45Å; T45-L339 WeakPolarHBondContact CA-O 3.49Å; T45-L339 WeakPolarHBondContact CB-O 3.27Å; T45-L339 HydrophobicContact CG2-CB 4Å; T45-L339 HydrophobicContact CG2-CD2 3.85Å; T45-L339 HydrophobicContact CG2-CG 4.47Å; T45-L339 PolarHBondContact N-O 2.9Å; T45-L339 PolarHBondContact OG1-O 3.25Å | ||
| 46 | T | 96.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.025 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -96 | -24.9 | 168 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | L194 G204 R205 R256 | T46-L194 HydrophobicContact CG2-CB 4.01Å; T46-L194 HydrophobicContact CG2-CD1 4.39Å; T46-G204 WeakPolarHBondContact O-CA 3.13Å; T46-R205 PolarHBondContact O-N 2.97Å; T46-R256 HydrophobicContact CG2-CB 4.41Å; T46-R256 PolarHBondContact N-O 3.04Å; T46-R256 PolarHBondContact OG1-N 3Å; T46-R256 PolarHBondContact OG1-O 3.23Å |
| 47 | H | 97.4 | Very high | 94 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 136.9 | -177.4 | -59.3 | 78.9 | 0 | 0 | 0 | 110.6 | F190 L194 R205 R256 I257 A258 | H47-F190 AromaticContact CD2-CE1 3.64Å; H47-F190 AromaticContact CD2-CE2 3.82Å; H47-F190 AromaticContact CD2-CZ 3.36Å; H47-F190 WeakPolarHBondContact CD2-CZ 3.41Å; H47-F190 AromaticContact NE2-CD1 3.92Å; H47-F190 AromaticContact NE2-CE1 3.66Å; H47-F190 AromaticContact NE2-CZ 3.83Å; H47-F190 PolarHBondContact NE2-O 3.45Å; H47-L194 VanDerWaalsContact CE1-CD2 3.49Å; H47-L194 WeakPolarHBondContact CE1-CD2 3.38Å; H47-R205 CarbonylContact C-O 3.52Å; H47-R205 VanDerWaalsContact CA-O 3.26Å; H47-R205 WeakPolarHBondContact CA-O 3.29Å; H47-R205 WeakPolarHBondContact NE2-CD 3.34Å; H47-R256 PolarHBondContact N-O 2.81Å; H47-R256 VanDerWaalsContact N-O 3.11Å; H47-I257 HydrophobicContact CB-CB 4.46Å; H47-I257 HydrophobicContact CB-CG1 4.16Å; H47-I257 HydrophobicContact CB-CG2 4.19Å; H47-A258 PolarHBondContact O-N 2.74Å |
| 48 | V | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 122.3 | 167.2 | 170 | 0 | 0 | 0 | 0 | 108.8 | R205 M206 I207 I260 M336 L339 L340 | V48-R205 PolarHBondContact N-O 3.14Å; V48-M206 WeakPolarHBondContact O-CA 3.39Å; V48-I207 PolarHBondContact O-N 2.77Å; V48-I260 HydrophobicContact CG1-CD1 4.22Å; V48-M336 HydrophobicContact CG1-CG 4.05Å; V48-M336 HydrophobicContact CG1-SD 4.25Å; V48-L339 HydrophobicContact CG2-CB 3.85Å; V48-L339 HydrophobicContact CG2-CD1 4.31Å; V48-L340 HydrophobicContact CB-CD1 4.5Å; V48-L340 HydrophobicContact CB-CD2 4.16Å; V48-L340 HydrophobicContact CB-CG 4.3Å; V48-L340 HydrophobicContact CG2-CD1 4.32Å; V48-L340 HydrophobicContact CG2-CD2 3.68Å; V48-L340 HydrophobicContact CG2-CG 3.67Å |
| 49 | I | 98.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 107.1 | 174.4 | -46.2 | -59.3 | 0 | 0 | 0 | 107.3 | M51 I207 V242 L246 I257 A258 Y259 I260 | I49-M51 HydrophobicContact CG2-CE 4.34Å; I49-M51 HydrophobicContact CG2-CG 4.25Å; I49-M51 HydrophobicContact CG2-SD 4.39Å; I49-I207 HydrophobicContact CD1-CB 3.89Å; I49-I207 HydrophobicContact CD1-CD1 3.66Å; I49-I207 HydrophobicContact CD1-CG1 4.2Å; I49-I207 HydrophobicContact CG2-CG2 4.41Å; I49-V242 HydrophobicContact CG2-CG1 3.91Å; I49-L246 HydrophobicContact CD1-CD1 3.6Å; I49-L246 HydrophobicContact CG1-CD1 3.54Å; I49-I257 HydrophobicContact CD1-CG2 4.38Å; I49-I257 HydrophobicContact CG1-CG2 3.7Å; I49-A258 PolarHBondContact N-O 3.15Å; I49-Y259 HydrophobicContact CB-CD1 3.79Å; I49-Y259 HydrophobicContact CB-CE1 4.25Å; I49-Y259 HydrophobicContact CB-CG 4.49Å; I49-Y259 HydrophobicContact CG1-CD1 3.97Å; I49-Y259 HydrophobicContact CG1-CE1 3.94Å; I49-Y259 HydrophobicContact CG2-CD1 4.18Å; I49-Y259 WeakPolarHBondContact O-CA 3.32Å; I49-I260 PolarHBondContact O-N 2.84Å |
| 50 | F | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 117.4 | -180 | -173.6 | -140.4 | 0 | 0 | 0 | 109.4 | V52 M100 L101 M206 I207 F208 L209 I260 T262 M336 | F50-V52 HydrophobicContact CD1-CG2 4.18Å; F50-V52 HydrophobicContact CD2-CG2 4.3Å; F50-V52 HydrophobicContact CE1-CG2 3.57Å; F50-V52 HydrophobicContact CE2-CG2 3.72Å; F50-V52 HydrophobicContact CZ-CG2 3.31Å; F50-M100 HydrophobicContact CE1-CB 4.17Å; F50-M100 HydrophobicContact CZ-CB 3.94Å; F50-M100 HydrophobicContact CZ-CE 4.42Å; F50-M100 HydrophobicContact CZ-CG 4.35Å; F50-M100 HydrophobicContact CZ-SD 3.75Å; F50-L101 HydrophobicContact CD1-CD2 3.87Å; F50-L101 HydrophobicContact CE1-CD2 3.88Å; F50-L101 HydrophobicContact CE1-CG 4.27Å; F50-M206 HydrophobicContact CB-CE 3.78Å; F50-M206 HydrophobicContact CD1-CE 3.92Å; F50-M206 HydrophobicContact CG-CE 4.2Å; F50-I207 PolarHBondContact N-O 3.01Å; F50-F208 HydrophobicContact CB-CD2 4.39Å; F50-F208 AromaticContact CD1-CD2 3.54Å; F50-F208 HydrophobicContact CD1-CD2 3.54Å; F50-F208 AromaticContact CD1-CE2 3.95Å; F50-F208 HydrophobicContact CD1-CE2 3.95Å; F50-F208 HydrophobicContact CD1-CG 4.21Å; F50-F208 HydrophobicContact CE1-CD2 4.17Å; F50-F208 HydrophobicContact CE1-CE2 4.12Å; F50-F208 HydrophobicContact CG-CD2 4.21Å; F50-F208 CarbonylContact O-C 3.41Å; F50-F208 WeakPolarHBondContact O-CA 3.13Å; F50-L209 PolarHBondContact O-N 3.25Å; F50-I260 HydrophobicContact CD2-CB 3.81Å; F50-I260 HydrophobicContact CD2-CG2 3.61Å; F50-I260 HydrophobicContact CE2-CB 4.38Å; F50-I260 HydrophobicContact CE2-CG2 3.66Å; F50-T262 HydrophobicContact CE2-CG2 3.71Å; F50-T262 HydrophobicContact CZ-CG2 4.1Å; F50-M336 HydrophobicContact CB-SD 4.14Å; F50-M336 HydrophobicContact CD1-CE 4.29Å; F50-M336 HydrophobicContact CD1-SD 4Å; F50-M336 HydrophobicContact CD2-SD 4.18Å; F50-M336 HydrophobicContact CE1-CE 4.17Å; F50-M336 HydrophobicContact CE1-SD 4.43Å; F50-M336 HydrophobicContact CG-SD 3.86Å; F50-M336 HydrophobicContact CZ-CE 4.37Å |
| 51 | M | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 118.7 | -179.2 | -66.5 | 171.8 | -72.8 | 0 | 0 | 108 | I49 L209 V239 V242 Y259 I260 F261 T262 W288 | I49-M51 HydrophobicContact CG2-CE 4.34Å; I49-M51 HydrophobicContact CG2-CG 4.25Å; I49-M51 HydrophobicContact CG2-SD 4.39Å; M51-L209 WeakPolarHBondContact CA-O 3.29Å; M51-L209 HydrophobicContact CG-CB 4.11Å; M51-L209 HydrophobicContact CG-CD1 3.98Å; M51-L209 HydrophobicContact CG-CG 4.28Å; M51-L209 HydrophobicContact SD-CD1 4.4Å; M51-V239 HydrophobicContact CE-CG1 4.06Å; M51-V239 HydrophobicContact SD-CG1 4.19Å; M51-V239 HydrophobicContact SD-CG2 4.2Å; M51-V242 HydrophobicContact SD-CB 4.31Å; M51-V242 HydrophobicContact SD-CG1 4.09Å; M51-V242 HydrophobicContact SD-CG2 4.5Å; M51-Y259 HydrophobicContact CE-CD1 4.16Å; M51-I260 PolarHBondContact N-O 3.18Å; M51-F261 HydrophobicContact CB-CD2 4Å; M51-F261 HydrophobicContact CE-CB 4.49Å; M51-F261 WeakPolarHBondContact O-CA 3.36Å; M51-T262 PolarHBondContact O-N 2.98Å; M51-W288 HydrophobicContact CE-CH2 3.76Å; M51-W288 HydrophobicContact CE-CZ2 4.27Å |
| 52 | V | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.2 | 175.4 | 180 | 0 | 0 | 0 | 0 | 107.6 | F50 M100 F208 L209 L211 T262 D264 | F50-V52 HydrophobicContact CD1-CG2 4.18Å; F50-V52 HydrophobicContact CD2-CG2 4.3Å; F50-V52 HydrophobicContact CE1-CG2 3.57Å; F50-V52 HydrophobicContact CE2-CG2 3.72Å; F50-V52 HydrophobicContact CZ-CG2 3.31Å; V52-M100 HydrophobicContact CG1-CE 3.98Å; V52-M100 HydrophobicContact CG2-CE 3.92Å; V52-M100 HydrophobicContact CG2-SD 4.23Å; V52-F208 HydrophobicContact CB-CE2 3.95Å; V52-F208 HydrophobicContact CG2-CE2 3.66Å; V52-F208 HydrophobicContact CG2-CZ 4.42Å; V52-L209 PolarHBondContact N-O 3.03Å; V52-L211 PolarHBondContact O-N 2.57Å; V52-T262 WeakPolarHBondContact CA-O 3.48Å; V52-T262 HydrophobicContact CG2-CG2 4.11Å; V52-D264 HydrophobicContact CG1-CB 3.99Å |
| 53 | S | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 104.9 | 169.6 | 169.4 | 0 | 0 | 0 | 0 | 108.6 | L56 L211 T262 S263 | S53-L56 WeakPolarHBondContact O-CB 3.28Å; S53-L56 PolarHBondContact O-N 2.77Å; S53-L211 CarbonylContact C-O 3.58Å; S53-L211 WeakPolarHBondContact CA-O 3.18Å; S53-T262 PolarHBondContact N-O 3.38Å; S53-S263 WeakPolarHBondContact O-CB 3.42Å; S53-S263 PolarHBondContact O-OG 2.82Å |
| 54 | D | 95.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.011 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 136.3 | -177.6 | -159.8 | -39.1 | 0 | 0 | 0 | 111.3 | L56 S93 H210 L211 A214 D215 D264 H265 | D54-L56 PolarHBondContact O-N 2.96Å; D54-S93 PolarHBondContact OD1-OG 3.18Å; D54-S93 WeakPolarHBondContact OD2-CB 3.43Å; D54-S93 PolarHBondContact OD2-OG 2.94Å; D54-H210 IonicContact OD2-CE1 3.42Å; D54-H210 IonicContact OD2-NE2 2.99Å; D54-H210 PolarHBondContact OD2-NE2 2.88Å; D54-L211 WeakPolarHBondContact CB-O 3.44Å; D54-L211 PolarHBondContact N-O 3.31Å; D54-A214 VanDerWaalsContact O-CB 3.32Å; D54-A214 WeakPolarHBondContact O-CB 3.35Å; D54-D215 HydrophobicContact CB-CB 4.17Å; D54-D215 PolarHBondContact O-N 2.78Å; D54-D264 VanDerWaalsContact CA-OD1 3.27Å; D54-D264 WeakPolarHBondContact CA-OD1 3.32Å; D54-D264 VanDerWaalsContact CG-OD2 3.24Å; D54-H265 IonicContact OD1-CE1 3.29Å; D54-H265 IonicContact OD1-NE2 2.95Å; D54-H265 PolarHBondContact OD1-NE2 2.99Å |
| 55 | G | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 14 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | R57 Y228 D264 H265 M267 | G55-R57 PolarHBondContact O-N 2.92Å; G55-Y228 PolarHBondContact O-OH 3.38Å; G55-D264 PolarHBondContact N-OD1 3.44Å; G55-H265 CarbonylContact C-O 3.58Å; G55-H265 WeakPolarHBondContact CA-O 2.99Å; G55-M267 WeakPolarHBondContact O-CE 3.46Å |
| 56 | L | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -78.5 | 121.6 | -175.2 | 178.2 | 68.3 | 0 | 0 | 0 | 113.1 | S53 D54 I61 A214 L232 L235 F261 S263 H265 P284 | S53-L56 WeakPolarHBondContact O-CB 3.28Å; S53-L56 PolarHBondContact O-N 2.77Å; D54-L56 PolarHBondContact O-N 2.96Å; L56-I61 HydrophobicContact CD1-CD1 3.56Å; L56-I61 HydrophobicContact CD1-CG1 4.11Å; L56-I61 HydrophobicContact CD2-CD1 3.12Å; L56-I61 HydrophobicContact CD2-CG1 4.44Å; L56-I61 HydrophobicContact CG-CD1 3.52Å; L56-I61 HydrophobicContact CG-CG1 4.47Å; L56-A214 HydrophobicContact CB-CB 4.25Å; L56-A214 HydrophobicContact CD1-CB 4.26Å; L56-L232 HydrophobicContact CD1-CD2 3.91Å; L56-L235 HydrophobicContact CD1-CD2 4.09Å; L56-L235 HydrophobicContact CD2-CD2 3.89Å; L56-F261 HydrophobicContact CD2-CE1 4.07Å; L56-F261 HydrophobicContact CD2-CZ 3.62Å; L56-S263 WeakPolarHBondContact CB-OG 3.38Å; L56-S263 PolarHBondContact N-OG 2.96Å; L56-S263 WeakPolarHBondContact O-CB 3.39Å; L56-S263 PolarHBondContact O-OG 3.4Å; L56-H265 PolarHBondContact N-O 3.23Å; L56-P284 HydrophobicContact CD2-CG 3.71Å; L56-P284 HydrophobicContact CG-CG 3.96Å; L56-P284 WeakPolarHBondContact O-CD 3.43Å | ||
| 57 | R | 92.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | trans | -78 | 130.1 | 178.2 | -82.7 | -179.1 | 66.7 | 156.6 | -3.7 | 113.3 | G55 D59 K60 Y228 M267 H279 | G55-R57 PolarHBondContact O-N 2.92Å; R57-D59 WeakPolarHBondContact CB-OD1 3.34Å; R57-D59 IonicContact CZ-OD1 2.74Å; R57-D59 IonicContact CZ-OD2 2.65Å; R57-D59 IonicContact NE-OD1 2.77Å; R57-D59 PolarHBondContact NE-OD1 3.44Å; R57-D59 IonicContact NE-OD2 2.77Å; R57-D59 IonicContact NH2-OD1 3.15Å; R57-D59 PolarHBondContact NH2-OD1 3.01Å; R57-D59 IonicContact NH2-OD2 3.13Å; R57-D59 PolarHBondContact NH2-OD2 3.37Å; R57-D59 PolarHBondContact O-N 3.29Å; R57-K60 HydrophobicContact CB-CB 4.22Å; R57-K60 HydrophobicContact CB-CG 3.71Å; R57-K60 PolarHBondContact O-N 3.31Å; R57-Y228 PolarHBondContact N-OH 3.3Å; R57-Y228 VanDerWaalsContact N-OH 3.11Å; R57-M267 VanDerWaalsContact CD-O 3.3Å; R57-M267 WeakPolarHBondContact CD-O 3.33Å; R57-M267 HydrophobicContact CG-CG 3.94Å; R57-H279 PolarHBondContact NH2-ND1 2.91Å | ||
| 58 | A | 92.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 27 Ų | 27 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K60 I61 F62 P284 L315 | A58-K60 VanDerWaalsContact C-N 3.26Å; A58-K60 PolarHBondContact O-N 2.88Å; A58-I61 PolarHBondContact O-N 3.23Å; A58-F62 PolarHBondContact O-N 3.45Å; A58-P284 HydrophobicContact CB-CB 4.28Å; A58-L315 HydrophobicContact CB-CD1 3.9Å; A58-L315 HydrophobicContact CB-CD2 4.27Å |
| 59 | D | 89.2 | Confident | 90.2 | Very high | 33 Ų | 33 | 27.1 Ų | 27.1 | 18% | 0.176 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.9 | -24.5 | -178.6 | 63.3 | -62.9 | 0 | 0 | 0 | 113.1 | R57 S63 H279 L315 | R57-D59 WeakPolarHBondContact CB-OD1 3.34Å; R57-D59 IonicContact CZ-OD1 2.74Å; R57-D59 IonicContact CZ-OD2 2.65Å; R57-D59 IonicContact NE-OD1 2.77Å; R57-D59 PolarHBondContact NE-OD1 3.44Å; R57-D59 IonicContact NE-OD2 2.77Å; R57-D59 IonicContact NH2-OD1 3.15Å; R57-D59 PolarHBondContact NH2-OD1 3.01Å; R57-D59 IonicContact NH2-OD2 3.13Å; R57-D59 PolarHBondContact NH2-OD2 3.37Å; R57-D59 PolarHBondContact O-N 3.29Å; D59-S63 PolarHBondContact O-N 3.3Å; D59-H279 IonicContact OD1-ND1 3.47Å; D59-L315 HydrophobicContact CB-CD2 3.96Å |
| 60 | K | 89.1 | Confident | 90.1 | Very high | 37 Ų | 37 | 30.1 Ų | 30.1 | 16% | 0.161 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -76.2 | -34.1 | 177.7 | -60.2 | -53.3 | -176.8 | -161.7 | 0 | 112.4 | R57 A58 P223 D224 Y228 L232 | R57-K60 HydrophobicContact CB-CB 4.22Å; R57-K60 HydrophobicContact CB-CG 3.71Å; R57-K60 PolarHBondContact O-N 3.31Å; A58-K60 VanDerWaalsContact C-N 3.26Å; A58-K60 PolarHBondContact O-N 2.88Å; K60-P223 WeakPolarHBondContact CE-O 3.48Å; K60-P223 HydrophobicContact CG-CB 4.47Å; K60-D224 IonicContact NZ-OD1 2.74Å; K60-D224 PolarHBondContact NZ-OD1 3.36Å; K60-D224 IonicContact NZ-OD2 3.2Å; K60-Y228 HydrophobicContact CB-CE1 3.93Å; K60-Y228 HydrophobicContact CG-CD1 4.32Å; K60-Y228 HydrophobicContact CG-CE1 3.83Å; K60-L232 HydrophobicContact CB-CD1 4.24Å |
| 61 | I | 89 | Confident | 90 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -81.9 | -52.1 | 174.6 | -73.5 | 169.6 | 0 | 0 | 0 | 111.4 | L56 A58 S63 M66 L232 L235 F261 P284 | L56-I61 HydrophobicContact CD1-CD1 3.56Å; L56-I61 HydrophobicContact CD1-CG1 4.11Å; L56-I61 HydrophobicContact CD2-CD1 3.12Å; L56-I61 HydrophobicContact CD2-CG1 4.44Å; L56-I61 HydrophobicContact CG-CD1 3.52Å; L56-I61 HydrophobicContact CG-CG1 4.47Å; A58-I61 PolarHBondContact O-N 3.23Å; I61-S63 PolarHBondContact O-N 2.88Å; I61-M66 HydrophobicContact CG2-CE 3.94Å; I61-M66 WeakPolarHBondContact O-CG 3.49Å; I61-L232 HydrophobicContact CG1-CD2 3.83Å; I61-L235 HydrophobicContact CD1-CD2 4.42Å; I61-F261 HydrophobicContact CD1-CE1 4.01Å; I61-F261 HydrophobicContact CD1-CZ 4.2Å; I61-P284 HydrophobicContact CD1-CB 4.39Å; I61-P284 HydrophobicContact CD1-CG 4.07Å |
| 62 | F | 87.6 | Confident | 89.9 | Confident | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -86.8 | 22.9 | -172.9 | -61 | -49.4 | 0 | 0 | 0 | 114.5 | A58 M66 L76 W82 G83 P284 L286 L315 | A58-F62 PolarHBondContact O-N 3.45Å; F62-M66 HydrophobicContact CD1-CE 4.23Å; F62-M66 HydrophobicContact CD1-SD 4.33Å; F62-M66 HydrophobicContact CE1-CE 4.41Å; F62-L76 HydrophobicContact CD1-CD1 4.06Å; F62-L76 HydrophobicContact CE1-CD1 3.98Å; F62-W82 HydrophobicContact CB-CZ3 4.3Å; F62-W82 AromaticContact CD1-CE3 3.83Å; F62-W82 HydrophobicContact CD1-CE3 3.83Å; F62-W82 HydrophobicContact CD1-CZ3 4.24Å; F62-W82 HydrophobicContact CD2-CE3 4.16Å; F62-W82 HydrophobicContact CD2-CZ3 4.19Å; F62-W82 HydrophobicContact CE1-CB 4.4Å; F62-W82 AromaticContact CE1-CE3 3.86Å; F62-W82 HydrophobicContact CE1-CE3 3.86Å; F62-W82 HydrophobicContact CE2-CE3 4.14Å; F62-W82 HydrophobicContact CG-CE3 4.01Å; F62-W82 HydrophobicContact CG-CZ3 4.01Å; F62-W82 HydrophobicContact CZ-CE3 4.01Å; F62-G83 WeakPolarHBondContact CE2-O 3.19Å; F62-P284 HydrophobicContact CD2-CB 4.17Å; F62-P284 HydrophobicContact CE2-CB 3.49Å; F62-P284 VanDerWaalsContact CE2-CB 3.49Å; F62-P284 HydrophobicContact CZ-CB 3.99Å; F62-L286 HydrophobicContact CE1-CD1 4.37Å; F62-L286 HydrophobicContact CE1-CD2 4.13Å; F62-L286 HydrophobicContact CE1-CG 4.17Å; F62-L286 HydrophobicContact CZ-CD2 4.37Å; F62-L286 HydrophobicContact CZ-CG 4.13Å; F62-L315 HydrophobicContact CB-CD2 4.41Å |
| 63 | S | 73.6 | Confident | 89.8 | Confident | 49 Ų | 49 | 34.9 Ų | 34.9 | 34% | 0.343 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -53.9 | 153.6 | 166.5 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | D59 I61 D65 M66 | D59-S63 PolarHBondContact O-N 3.3Å; I61-S63 PolarHBondContact O-N 2.88Å; S63-D65 PolarHBondContact O-N 3Å; S63-M66 PolarHBondContact O-N 3.31Å |
| 64 | Q | 63.8 | Low | 89.7 | Confident | 112 Ų | 112 | 37.1 Ų | 37.1 | 52% | 0.523 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -25.7 | -167.7 | -88.5 | 179.6 | -34.5 | 0 | 0 | 115.6 | D308 Y320 | Q64-D308 PolarHBondContact NE2-OD1 3.22Å; Q64-D308 PolarHBondContact NE2-OD2 2.89Å; Q64-Y320 PolarHBondContact O-OH 2.97Å |
| 65 | D | 75.2 | Confident | 89.8 | Confident | 107 Ų | 107 | 37 Ų | 37 | 57% | 0.572 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -11.1 | -178.3 | -70.5 | -33.6 | 0 | 0 | 0 | 115.2 | S63 K67 R73 Y320 | S63-D65 PolarHBondContact O-N 3Å; D65-K67 HydrophobicContact CB-CB 4.28Å; D65-K67 PolarHBondContact O-N 2.96Å; D65-R73 PolarHBondContact O-NH1 2.69Å; D65-Y320 VanDerWaalsContact C-OH 3.23Å; D65-Y320 VanDerWaalsContact CA-OH 3.26Å; D65-Y320 WeakPolarHBondContact CA-OH 3.44Å; D65-Y320 PolarHBondContact O-OH 3.17Å |
| 66 | M | 89.2 | Confident | 89.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | trans | 39.3 | 39.9 | -168.1 | -59.2 | -173.7 | 65.7 | 0 | 0 | 112.4 | I61 F62 S63 Y68 T69 L72 R73 L76 | I61-M66 HydrophobicContact CG2-CE 3.94Å; I61-M66 WeakPolarHBondContact O-CG 3.49Å; F62-M66 HydrophobicContact CD1-CE 4.23Å; F62-M66 HydrophobicContact CD1-SD 4.33Å; F62-M66 HydrophobicContact CE1-CE 4.41Å; S63-M66 PolarHBondContact O-N 3.31Å; M66-Y68 PolarHBondContact O-N 3.39Å; M66-Y68 VanDerWaalsContact O-N 3.13Å; M66-T69 CarbonylContact O-C 3.56Å; M66-T69 PolarHBondContact O-N 2.76Å; M66-L72 HydrophobicContact CE-CB 4.02Å; M66-R73 HydrophobicContact CB-CB 3.88Å; M66-R73 HydrophobicContact CB-CG 4.12Å; M66-R73 HydrophobicContact CE-CB 4.21Å; M66-R73 HydrophobicContact CG-CB 4.49Å; M66-R73 HydrophobicContact SD-CB 3.93Å; M66-R73 HydrophobicContact SD-CG 4.12Å; M66-L76 HydrophobicContact SD-CD1 3.76Å | ||
| 67 | K | 89.1 | Confident | 89.5 | Confident | 141 Ų | 141 | 38.5 Ų | 38.5 | 61% | 0.613 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -34.8 | -164.8 | 179 | -177.8 | 176.1 | -176 | 0 | 113 | D65 | D65-K67 HydrophobicContact CB-CB 4.28Å; D65-K67 PolarHBondContact O-N 2.96Å |
| 68 | Y | 92.4 | Very high | 89.7 | Confident | 76 Ų | 76 | 43.9 Ų | 43.9 | 30% | 0.298 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -5.9 | -175.8 | -52.3 | -58.1 | 0 | 0 | 0 | 113.4 | M66 P70 T229 L232 | M66-Y68 PolarHBondContact O-N 3.39Å; M66-Y68 VanDerWaalsContact O-N 3.13Å; Y68-P70 VanDerWaalsContact C-CD 3.46Å; Y68-T229 HydrophobicContact CD1-CG2 3.54Å; Y68-T229 HydrophobicContact CD2-CG2 3.59Å; Y68-T229 HydrophobicContact CE1-CG2 3.5Å; Y68-T229 VanDerWaalsContact CE1-CG2 3.5Å; Y68-T229 HydrophobicContact CE2-CG2 3.52Å; Y68-T229 HydrophobicContact CG-CG2 3.58Å; Y68-T229 VanDerWaalsContact CZ-CG2 3.46Å; Y68-L232 HydrophobicContact CD2-CD1 4.28Å |
| 69 | T | 95 | Very high | 89.8 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | trans | -131.3 | 61.9 | -177.3 | 61.8 | 0 | 0 | 0 | 0 | 111.6 | M66 F71 L72 R73 L232 D236 | M66-T69 CarbonylContact O-C 3.56Å; M66-T69 PolarHBondContact O-N 2.76Å; T69-F71 PolarHBondContact O-N 3.23Å; T69-L72 HydrophobicContact CG2-CD1 4.24Å; T69-L72 PolarHBondContact O-N 2.97Å; T69-R73 WeakPolarHBondContact O-CB 3.46Å; T69-R73 PolarHBondContact O-N 2.89Å; T69-L232 HydrophobicContact CG2-CB 4.14Å; T69-D236 VanDerWaalsContact C-CG 3.49Å; T69-D236 VanDerWaalsContact CA-CG 3.41Å; T69-D236 WeakPolarHBondContact CA-OD1 3Å; T69-D236 WeakPolarHBondContact CB-OD1 3.39Å; T69-D236 HydrophobicContact CG2-CB 4.24Å | ||
| 70 | P | 95.7 | Very high | 90 | Very high | 64 Ų | 64 | 46.7 Ų | 46.7 | 42% | 0.416 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.1 | -33.6 | -175.6 | 25.6 | -35.7 | 0 | 0 | 0 | 114.1 | Y68 D74 D236 | Y68-P70 VanDerWaalsContact C-CD 3.46Å; P70-D74 PolarHBondContact O-N 3.25Å; P70-D236 WeakPolarHBondContact CD-OD2 3.45Å; P70-D236 WeakPolarHBondContact CG-OD2 3.47Å |
| 71 | F | 97.5 | Very high | 90.3 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.6 | -46.3 | 175.4 | 174.7 | -110.9 | 0 | 0 | 0 | 111.3 | T69 R73 D74 V75 D236 V239 F240 Y243 | T69-F71 PolarHBondContact O-N 3.23Å; F71-R73 PolarHBondContact O-N 3.29Å; F71-D74 WeakPolarHBondContact O-CA 3.27Å; F71-D74 WeakPolarHBondContact O-CB 3.49Å; F71-D74 PolarHBondContact O-N 3.18Å; F71-V75 HydrophobicContact CD1-CG2 4.4Å; F71-V75 HydrophobicContact CE1-CG2 3.91Å; F71-V75 HydrophobicContact CE2-CG2 4.19Å; F71-V75 HydrophobicContact CZ-CG2 3.79Å; F71-V75 WeakPolarHBondContact O-CG2 3.32Å; F71-V75 PolarHBondContact O-N 2.63Å; F71-D236 WeakPolarHBondContact CB-OD1 3.36Å; F71-D236 WeakPolarHBondContact CB-OD2 3.39Å; F71-D236 PolarHBondContact N-OD1 3.45Å; F71-D236 PolarHBondContact N-OD2 2.95Å; F71-V239 HydrophobicContact CD1-CG1 4.21Å; F71-V239 HydrophobicContact CE1-CG1 3.92Å; F71-F240 HydrophobicContact CB-CB 4.24Å; F71-F240 HydrophobicContact CD1-CB 3.88Å; F71-F240 HydrophobicContact CD2-CB 4.42Å; F71-F240 AromaticContact CD2-CD2 3.72Å; F71-F240 HydrophobicContact CD2-CD2 3.72Å; F71-F240 HydrophobicContact CE1-CB 4.39Å; F71-F240 AromaticContact CE2-CD2 3.99Å; F71-F240 HydrophobicContact CE2-CD2 3.99Å; F71-F240 HydrophobicContact CG-CB 3.9Å; F71-F240 HydrophobicContact CG-CD2 4.06Å; F71-F240 HydrophobicContact CG-CG 4.46Å; F71-Y243 HydrophobicContact CE1-CG 4.34Å; F71-Y243 AromaticContact CE2-CD1 3.82Å; F71-Y243 HydrophobicContact CE2-CD1 3.82Å; F71-Y243 HydrophobicContact CE2-CE1 4.32Å; F71-Y243 HydrophobicContact CE2-CG 4.26Å; F71-Y243 AromaticContact CZ-CD1 3.54Å; F71-Y243 HydrophobicContact CZ-CD1 3.54Å; F71-Y243 HydrophobicContact CZ-CD2 4.21Å; F71-Y243 HydrophobicContact CZ-CE1 4.32Å; F71-Y243 AromaticContact CZ-CG 3.51Å; F71-Y243 HydrophobicContact CZ-CG 3.51Å |
| 72 | L | 96.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.4 | -33.7 | 175.5 | -63.3 | -177.3 | 0 | 0 | 0 | 111.9 | M66 T69 V75 L76 D236 V239 F261 L286 | M66-L72 HydrophobicContact CE-CB 4.02Å; T69-L72 HydrophobicContact CG2-CD1 4.24Å; T69-L72 PolarHBondContact O-N 2.97Å; L72-V75 WeakPolarHBondContact O-CB 3.46Å; L72-V75 PolarHBondContact O-N 2.86Å; L72-L76 WeakPolarHBondContact O-CB 3.21Å; L72-L76 PolarHBondContact O-N 2.98Å; L72-D236 WeakPolarHBondContact CG-OD1 3.45Å; L72-D236 PolarHBondContact N-OD1 3.07Å; L72-V239 HydrophobicContact CD2-CB 4.24Å; L72-V239 HydrophobicContact CD2-CG1 3.71Å; L72-F261 HydrophobicContact CD1-CD1 4.47Å; L72-F261 HydrophobicContact CD1-CE1 3.93Å; L72-F261 HydrophobicContact CD1-CZ 4.2Å; L72-L286 HydrophobicContact CB-CD1 3.8Å; L72-L286 HydrophobicContact CD1-CD1 4.28Å; L72-L286 HydrophobicContact CD2-CD1 3.89Å; L72-L286 HydrophobicContact CG-CD1 4.2Å |
| 73 | R | 94.8 | Very high | 90.8 | Very high | 83 Ų | 83 | 45.2 Ų | 45.2 | 31% | 0.313 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 170.5 | -174.5 | 178.3 | 60.8 | -169.2 | 3.3 | 111.6 | D65 M66 T69 F71 V75 L76 L77 Y320 | D65-R73 PolarHBondContact O-NH1 2.69Å; M66-R73 HydrophobicContact CB-CB 3.88Å; M66-R73 HydrophobicContact CB-CG 4.12Å; M66-R73 HydrophobicContact CE-CB 4.21Å; M66-R73 HydrophobicContact CG-CB 4.49Å; M66-R73 HydrophobicContact SD-CB 3.93Å; M66-R73 HydrophobicContact SD-CG 4.12Å; T69-R73 WeakPolarHBondContact O-CB 3.46Å; T69-R73 PolarHBondContact O-N 2.89Å; F71-R73 PolarHBondContact O-N 3.29Å; R73-V75 VanDerWaalsContact C-N 3.32Å; R73-V75 PolarHBondContact O-N 2.72Å; R73-L76 PolarHBondContact O-N 3.41Å; R73-L77 HydrophobicContact CG-CD1 3.92Å; R73-L77 HydrophobicContact CG-CG 4.39Å; R73-L77 WeakPolarHBondContact O-CB 3.27Å; R73-L77 VanDerWaalsContact O-CG 3.27Å; R73-L77 WeakPolarHBondContact O-CG 3.5Å; R73-L77 PolarHBondContact O-N 3.18Å; R73-Y320 WeakPolarHBondContact CD-OH 3.49Å; R73-Y320 HydrophobicContact CG-CE2 4Å |
| 74 | D | 95.9 | Very high | 91.8 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 25% | 0.246 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 174.8 | -178.2 | 63.7 | 0 | 0 | 0 | 112.1 | P70 F71 L77 H78 R79 | P70-D74 PolarHBondContact O-N 3.25Å; F71-D74 WeakPolarHBondContact O-CA 3.27Å; F71-D74 WeakPolarHBondContact O-CB 3.49Å; F71-D74 PolarHBondContact O-N 3.18Å; D74-L77 PolarHBondContact O-N 2.89Å; D74-H78 WeakPolarHBondContact O-CB 3.24Å; D74-H78 PolarHBondContact O-N 3.25Å; D74-H78 IonicContact OD1-CE1 2.87Å; D74-H78 IonicContact OD1-CG 2.74Å; D74-H78 IonicContact OD1-ND1 3.08Å; D74-H78 PolarHBondContact OD1-ND1 3.05Å; D74-R79 IonicContact OD2-CZ 3.74Å; D74-R79 IonicContact OD2-NE 3.68Å; D74-R79 PolarHBondContact OD2-NE 3.25Å; D74-R79 IonicContact OD2-NH2 3.55Å; D74-R79 PolarHBondContact OD2-NH2 2.65Å |
| 75 | V | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -59.2 | -50.6 | 174 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | F71 L72 R73 L77 R79 G80 W288 | F71-V75 HydrophobicContact CD1-CG2 4.4Å; F71-V75 HydrophobicContact CE1-CG2 3.91Å; F71-V75 HydrophobicContact CE2-CG2 4.19Å; F71-V75 HydrophobicContact CZ-CG2 3.79Å; F71-V75 WeakPolarHBondContact O-CG2 3.32Å; F71-V75 PolarHBondContact O-N 2.63Å; L72-V75 WeakPolarHBondContact O-CB 3.46Å; L72-V75 PolarHBondContact O-N 2.86Å; R73-V75 VanDerWaalsContact C-N 3.32Å; R73-V75 PolarHBondContact O-N 2.72Å; V75-L77 VanDerWaalsContact C-N 3.32Å; V75-L77 PolarHBondContact O-N 3.02Å; V75-R79 HydrophobicContact CG1-CB 4.47Å; V75-R79 PolarHBondContact O-N 2.89Å; V75-G80 PolarHBondContact O-N 3.29Å; V75-W288 HydrophobicContact CG1-CB 4.1Å; V75-W288 HydrophobicContact CG1-CD2 3.58Å; V75-W288 HydrophobicContact CG1-CE3 3.47Å; V75-W288 VanDerWaalsContact CG1-CE3 3.47Å; V75-W288 HydrophobicContact CG1-CG 3.89Å; V75-W288 HydrophobicContact CG1-CZ3 4.1Å; V75-W288 HydrophobicContact CG2-CD2 4.35Å; V75-W288 HydrophobicContact CG2-CZ2 4.44Å |
| 76 | L | 93.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -58.6 | -42.9 | 178.6 | 179.5 | 153.4 | 0 | 0 | 0 | 111.9 | F62 M66 L72 R73 W82 L286 N319 Y320 R322 | F62-L76 HydrophobicContact CD1-CD1 4.06Å; F62-L76 HydrophobicContact CE1-CD1 3.98Å; M66-L76 HydrophobicContact SD-CD1 3.76Å; L72-L76 WeakPolarHBondContact O-CB 3.21Å; L72-L76 PolarHBondContact O-N 2.98Å; R73-L76 PolarHBondContact O-N 3.41Å; L76-W82 HydrophobicContact CB-CB 4.32Å; L76-W82 HydrophobicContact CD1-CB 3.55Å; L76-W82 HydrophobicContact CD1-CD2 3.57Å; L76-W82 HydrophobicContact CD1-CE3 3.89Å; L76-W82 HydrophobicContact CD1-CG 3.4Å; L76-W82 VanDerWaalsContact CD1-CG 3.4Å; L76-W82 HydrophobicContact CD2-CG 4.46Å; L76-W82 HydrophobicContact CG-CB 3.67Å; L76-W82 HydrophobicContact CG-CD2 4.21Å; L76-W82 HydrophobicContact CG-CG 3.58Å; L76-L286 HydrophobicContact CB-CD2 4.02Å; L76-N319 HydrophobicContact CD1-CB 4.19Å; L76-N319 HydrophobicContact CD2-CB 4.29Å; L76-Y320 HydrophobicContact CD2-CD2 4.13Å; L76-R322 HydrophobicContact CD2-CB 4.34Å; L76-R322 HydrophobicContact CD2-CG 4Å |
| 77 | L | 92.7 | Very high | 94.5 | Very high | 31 Ų | 31 | 33.9 Ų | 33.9 | 16% | 0.162 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -74.6 | -41.6 | -175.1 | -75 | 173.6 | 0 | 0 | 0 | 113.2 | R73 D74 V75 Y320 R322 | R73-L77 HydrophobicContact CG-CD1 3.92Å; R73-L77 HydrophobicContact CG-CG 4.39Å; R73-L77 WeakPolarHBondContact O-CB 3.27Å; R73-L77 VanDerWaalsContact O-CG 3.27Å; R73-L77 WeakPolarHBondContact O-CG 3.5Å; R73-L77 PolarHBondContact O-N 3.18Å; D74-L77 PolarHBondContact O-N 2.89Å; V75-L77 VanDerWaalsContact C-N 3.32Å; V75-L77 PolarHBondContact O-N 3.02Å; L77-Y320 HydrophobicContact CD2-CD1 4.43Å; L77-Y320 HydrophobicContact CD2-CD2 3.78Å; L77-Y320 HydrophobicContact CD2-CG 3.61Å; L77-Y320 HydrophobicContact CG-CD2 4.36Å; L77-R322 PolarHBondContact O-NE 3.4Å; L77-R322 PolarHBondContact O-NH2 2.89Å |
| 78 | H | 95.2 | Very high | 94.5 | Very high | 118 Ų | 118 | 32 Ų | 32 | 55% | 0.546 | 14% | 0.143 | S | C | . | . | I | π-helix | trans | -126 | -20 | -161.5 | -52.7 | 118.5 | 0 | 0 | 0 | 115.2 | D74 | D74-H78 WeakPolarHBondContact O-CB 3.24Å; D74-H78 PolarHBondContact O-N 3.25Å; D74-H78 IonicContact OD1-CE1 2.87Å; D74-H78 IonicContact OD1-CG 2.74Å; D74-H78 IonicContact OD1-ND1 3.08Å; D74-H78 PolarHBondContact OD1-ND1 3.05Å |
| 79 | R | 94.9 | Very high | 94.2 | Very high | 95 Ų | 95 | 30.4 Ų | 30.4 | 36% | 0.358 | 14% | 0.14 | S | C | . | . | I | π-helix | trans | -116.5 | -36 | -166.6 | -52.7 | -176.5 | -170.8 | -121.8 | -1.4 | 114.5 | D74 V75 Y243 W288 | D74-R79 IonicContact OD2-CZ 3.74Å; D74-R79 IonicContact OD2-NE 3.68Å; D74-R79 PolarHBondContact OD2-NE 3.25Å; D74-R79 IonicContact OD2-NH2 3.55Å; D74-R79 PolarHBondContact OD2-NH2 2.65Å; V75-R79 HydrophobicContact CG1-CB 4.47Å; V75-R79 PolarHBondContact O-N 2.89Å; R79-Y243 VanDerWaalsContact NH1-CE1 3.34Å; R79-Y243 PolarHBondContact NH1-OH 3.09Å; R79-W288 HydrophobicContact CB-CB 4.28Å |
| 80 | G | 94 | Very high | 93.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | -172.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V75 I287 P295 | V75-G80 PolarHBondContact O-N 3.29Å; G80-I287 CarbonylContact C-O 3.49Å; G80-I287 WeakPolarHBondContact CA-O 3.34Å; G80-P295 WeakPolarHBondContact O-CA 3.19Å |
| 81 | L | 95.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 147.9 | 170.1 | -64.4 | 173.2 | 0 | 0 | 0 | 109.9 | L286 I287 I292 V293 G294 V296 R325 F356 | L81-L286 WeakPolarHBondContact O-CA 3.36Å; L81-I287 PolarHBondContact N-O 3.33Å; L81-I287 PolarHBondContact O-N 3.26Å; L81-I292 HydrophobicContact CD1-CG2 4.36Å; L81-I292 HydrophobicContact CG-CG2 4.43Å; L81-V293 HydrophobicContact CD1-CB 4.17Å; L81-V293 HydrophobicContact CD2-CB 4.39Å; L81-V293 HydrophobicContact CD2-CG1 4.36Å; L81-V293 HydrophobicContact CG-CB 4.47Å; L81-V293 VanDerWaalsContact CG-O 3.3Å; L81-V293 WeakPolarHBondContact CG-O 3.09Å; L81-G294 WeakPolarHBondContact CD2-O 3.46Å; L81-V296 HydrophobicContact CD2-CG2 4.34Å; L81-R325 HydrophobicContact CD1-CG 4.47Å; L81-R325 HydrophobicContact CD2-CG 4.27Å; L81-F356 HydrophobicContact CD1-CB 4.07Å; L81-F356 HydrophobicContact CD1-CD1 3.48Å; L81-F356 VanDerWaalsContact CD1-CD1 3.48Å; L81-F356 HydrophobicContact CD1-CE1 4.16Å; L81-F356 HydrophobicContact CD1-CG 3.9Å |
| 82 | W | 93.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.015 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 155.7 | 168.4 | 81 | -73.9 | 0 | 0 | 0 | 109.8 | F62 L76 L285 L286 P316 N319 R322 L323 R324 R325 | F62-W82 HydrophobicContact CB-CZ3 4.3Å; F62-W82 AromaticContact CD1-CE3 3.83Å; F62-W82 HydrophobicContact CD1-CE3 3.83Å; F62-W82 HydrophobicContact CD1-CZ3 4.24Å; F62-W82 HydrophobicContact CD2-CE3 4.16Å; F62-W82 HydrophobicContact CD2-CZ3 4.19Å; F62-W82 HydrophobicContact CE1-CB 4.4Å; F62-W82 AromaticContact CE1-CE3 3.86Å; F62-W82 HydrophobicContact CE1-CE3 3.86Å; F62-W82 HydrophobicContact CE2-CE3 4.14Å; F62-W82 HydrophobicContact CG-CE3 4.01Å; F62-W82 HydrophobicContact CG-CZ3 4.01Å; F62-W82 HydrophobicContact CZ-CE3 4.01Å; L76-W82 HydrophobicContact CB-CB 4.32Å; L76-W82 HydrophobicContact CD1-CB 3.55Å; L76-W82 HydrophobicContact CD1-CD2 3.57Å; L76-W82 HydrophobicContact CD1-CE3 3.89Å; L76-W82 HydrophobicContact CD1-CG 3.4Å; L76-W82 VanDerWaalsContact CD1-CG 3.4Å; L76-W82 HydrophobicContact CD2-CG 4.46Å; L76-W82 HydrophobicContact CG-CB 3.67Å; L76-W82 HydrophobicContact CG-CD2 4.21Å; L76-W82 HydrophobicContact CG-CG 3.58Å; W82-L285 CarbonylContact C-O 3.47Å; W82-L285 WeakPolarHBondContact CA-O 3.4Å; W82-L286 HydrophobicContact CB-CD2 3.51Å; W82-P316 HydrophobicContact CH2-CG 4.29Å; W82-N319 HydrophobicContact CD2-CB 4.33Å; W82-N319 HydrophobicContact CE3-CB 4.45Å; W82-N319 HydrophobicContact CH2-CB 3.69Å; W82-N319 HydrophobicContact CZ2-CB 3.54Å; W82-N319 HydrophobicContact CZ3-CB 4.14Å; W82-R322 PolarHBondContact NE1-O 3.44Å; W82-L323 PolarHBondContact NE1-O 3.03Å; W82-R324 HydrophobicContact CE3-CG 4.49Å; W82-R324 HydrophobicContact CH2-CB 3.81Å; W82-R324 HydrophobicContact CH2-CG 3.84Å; W82-R324 HydrophobicContact CZ2-CB 3.56Å; W82-R324 HydrophobicContact CZ2-CG 4.04Å; W82-R324 HydrophobicContact CZ3-CG 4.09Å; W82-R325 PolarHBondContact O-N 3.4Å |
| 83 | G | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.8 | -166.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F62 L285 R325 | F62-G83 WeakPolarHBondContact CE2-O 3.19Å; G83-L285 PolarHBondContact N-O 3.19Å; G83-L285 PolarHBondContact O-N 3.36Å; G83-R325 CarbonylContact C-O 3.47Å; G83-R325 WeakPolarHBondContact CA-O 3.43Å |
| 84 | V | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 146.9 | 171.4 | -64 | 0 | 0 | 0 | 0 | 111.1 | V282 T283 L315 R325 E326 I327 | V84-V282 HydrophobicContact CB-CG1 3.75Å; V84-V282 HydrophobicContact CG1-CG1 3.69Å; V84-V282 HydrophobicContact CG2-CG1 4.22Å; V84-T283 CarbonylContact C-O 3.51Å; V84-T283 WeakPolarHBondContact CA-O 3.38Å; V84-L315 HydrophobicContact CG1-CD1 3.53Å; V84-R325 PolarHBondContact N-O 2.99Å; V84-E326 HydrophobicContact CG2-CB 4.29Å; V84-E326 HydrophobicContact CG2-CG 3.75Å; V84-E326 WeakPolarHBondContact O-CA 3.41Å; V84-I327 PolarHBondContact O-N 2.74Å; V84-I327 VanDerWaalsContact O-N 3.09Å |
| 85 | S | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.1 | 167.1 | -178.1 | 0 | 0 | 0 | 0 | 110 | T283 I327 Q329 | S85-T283 VanDerWaalsContact CB-OG1 3.29Å; S85-T283 WeakPolarHBondContact CB-OG1 3.27Å; S85-T283 PolarHBondContact N-O 3.04Å; S85-T283 PolarHBondContact O-N 2.83Å; S85-T283 PolarHBondContact O-OG1 3.31Å; S85-I327 WeakPolarHBondContact CA-O 3.3Å; S85-Q329 WeakPolarHBondContact OG-CA 3.47Å |
| 86 | H | 95.4 | Very high | 92 | Very high | 25 Ų | 25 | 27.2 Ų | 27.2 | 12% | 0.116 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 103.5 | 178.8 | -66.3 | -77.3 | 0 | 0 | 0 | 109.3 | T281 Y313 E326 I327 Q329 | H86-T281 WeakPolarHBondContact CA-O 3.46Å; H86-Y313 AromaticContact CE1-CE2 3.88Å; H86-Y313 AromaticContact CE1-CZ 3.83Å; H86-E326 IonicContact CD2-OE2 3.93Å; H86-E326 IonicContact CE1-OE2 2.73Å; H86-E326 IonicContact NE2-OE2 3.03Å; H86-E326 PolarHBondContact NE2-OE2 3.08Å; H86-I327 PolarHBondContact N-O 3.26Å; H86-Q329 WeakPolarHBondContact O-CB 3.23Å; H86-Q329 PolarHBondContact O-N 2.96Å |
| 87 | T | 93.3 | Very high | 92 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | P | Polyproline II helix | trans | -81.4 | 151.4 | 171.1 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | T91 D264 H265 E280 T281 T283 Q329 | T87-T91 HydrophobicContact CG2-CG2 3.86Å; T87-D264 WeakPolarHBondContact CB-O 3.44Å; T87-D264 PolarHBondContact OG1-O 2.89Å; T87-H265 HydrophobicContact CG2-CB 4.27Å; T87-E280 WeakPolarHBondContact CG2-O 3.35Å; T87-T281 VanDerWaalsContact CG2-CA 3.48Å; T87-T281 WeakPolarHBondContact CG2-O 3.38Å; T87-T281 PolarHBondContact N-O 2.9Å; T87-T283 HydrophobicContact CG2-CG2 4.13Å; T87-Q329 PolarHBondContact OG1-NE2 2.84Å; T87-Q329 PolarHBondContact OG1-OE1 2.84Å |
| 88 | R | 88.3 | Confident | 92 | Very high | 102 Ų | 102 | 25.7 Ų | 25.7 | 39% | 0.385 | 12% | 0.118 | S | C | . | . | P | Polyproline II helix | trans | -103 | 152 | 179.4 | -71.6 | -171.6 | -70.6 | -174.5 | -4 | 110 | P90 N105 | R88-P90 CarbonylContact O-C 3.6Å; R88-N105 PolarHBondContact NE-ND2 3.26Å; R88-N105 PolarHBondContact NE-OD1 3.24Å; R88-N105 PolarHBondContact NH1-ND2 3.3Å; R88-N105 PolarHBondContact NH2-ND2 3.01Å; R88-N105 PolarHBondContact NH2-OD1 3.13Å |
| 89 | V | 87.4 | Confident | 91.9 | Very high | 41 Ų | 41 | 20.1 Ų | 20.1 | 25% | 0.248 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -68 | 138.4 | 173.9 | -167 | 0 | 0 | 0 | 0 | 108.8 | G276 T281 G928 S929 | V89-G276 VanDerWaalsContact CG2-CA 3.45Å; V89-T281 HydrophobicContact CG2-CG2 4.25Å; V89-G928 WeakPolarHBondContact CG1-O 3.5Å; V89-S929 VanDerWaalsContact CG1-N 3.26Å |
| 90 | P | 87.8 | Confident | 92 | Very high | 15 Ų | 15 | 15.6 Ų | 15.6 | 10% | 0.097 | 8% | 0.075 | C | C | . | . | S | Bend | cis | -77.9 | 132.3 | 2.5 | 28.2 | -27.8 | 0 | 0 | 0 | 113.8 | R88 E92 P95 W930 | R88-P90 CarbonylContact O-C 3.6Å; P90-E92 HydrophobicContact CB-CG 4.1Å; P90-E92 PolarHBondContact O-N 2.77Å; P90-P95 HydrophobicContact CG-CB 4.38Å; P90-P95 HydrophobicContact CG-CG 4.14Å; P90-W930 HydrophobicContact CB-CD2 4.24Å; P90-W930 HydrophobicContact CB-CG 4.01Å; P90-W930 HydrophobicContact CG-CD2 3.8Å; P90-W930 HydrophobicContact CG-CE3 4.45Å; P90-W930 HydrophobicContact CG-CG 4.11Å; P90-W930 HydrophobicContact CG-CH2 4.08Å; P90-W930 HydrophobicContact CG-CZ2 3.51Å; P90-W930 HydrophobicContact CG-CZ3 4.49Å; P90-W930 VanDerWaalsContact CG-NE1 3.28Å |
| 91 | T | 88.7 | Confident | 92.1 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -79 | 64.8 | 176.3 | 48.2 | 0 | 0 | 0 | 0 | 110.4 | T87 H265 H273 G274 S275 E280 T281 | T87-T91 HydrophobicContact CG2-CG2 3.86Å; T91-H265 HydrophobicContact CG2-CB 4.27Å; T91-H265 PolarHBondContact O-CD2 3.25Å; T91-H273 PolarHBondContact O-ND1 3.47Å; T91-G274 PolarHBondContact O-N 3.09Å; T91-G274 VanDerWaalsContact O-N 3.15Å; T91-G274 VanDerWaalsContact OG1-C 3.25Å; T91-G274 VanDerWaalsContact OG1-CA 3.23Å; T91-G274 WeakPolarHBondContact OG1-CA 3.25Å; T91-G274 PolarHBondContact OG1-N 3.25Å; T91-S275 WeakPolarHBondContact CG2-O 3.15Å; T91-S275 PolarHBondContact OG1-N 2.88Å; T91-S275 VanDerWaalsContact OG1-N 3.09Å; T91-S275 PolarHBondContact OG1-O 2.77Å; T91-E280 HydrophobicContact CG2-CB 3.94Å; T91-E280 PolarHBondContact OG1-OE2 3.4Å; T91-E280 VanDerWaalsContact OG1-OE2 3.14Å; T91-T281 HydrophobicContact CG2-CG2 3.92Å | ||
| 92 | E | 88.4 | Confident | 92 | Very high | 65 Ų | 65 | 15.5 Ų | 15.5 | 30% | 0.304 | 8% | 0.075 | S | C | . | . | trans | -119.3 | 149.9 | 177.1 | -61.8 | -71.7 | 168.6 | 0 | 0 | 108.5 | P90 R94 P95 A96 H273 G274 | P90-E92 HydrophobicContact CB-CG 4.1Å; P90-E92 PolarHBondContact O-N 2.77Å; E92-R94 PolarHBondContact O-N 3.07Å; E92-P95 HydrophobicContact CB-CG 4.05Å; E92-P95 VanDerWaalsContact O-CD 3.31Å; E92-P95 WeakPolarHBondContact O-CD 3.46Å; E92-A96 WeakPolarHBondContact O-CB 3.35Å; E92-A96 PolarHBondContact O-N 2.76Å; E92-H273 IonicContact OE2-CE1 3.84Å; E92-H273 PolarHBondContact OE2-CE1 3.47Å; E92-H273 IonicContact OE2-ND1 3.41Å; E92-G274 VanDerWaalsContact OE1-CA 3.23Å; E92-G274 WeakPolarHBondContact OE1-CA 3.35Å | ||
| 93 | S | 89.9 | Confident | 92.1 | Very high | 24 Ų | 24 | 15.3 Ų | 15.3 | 17% | 0.168 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.2 | -49.3 | -169.9 | -39.2 | 0 | 0 | 0 | 0 | 112.8 | D54 A96 H97 D264 | D54-S93 PolarHBondContact OD1-OG 3.18Å; D54-S93 WeakPolarHBondContact OD2-CB 3.43Å; D54-S93 PolarHBondContact OD2-OG 2.94Å; S93-A96 PolarHBondContact O-N 2.77Å; S93-H97 PolarHBondContact O-N 3.23Å; S93-H97 PolarHBondContact O-ND1 3.45Å; S93-D264 WeakPolarHBondContact CA-OD2 3.5Å; S93-D264 WeakPolarHBondContact CB-OD2 3.08Å |
| 94 | R | 86.7 | Confident | 92.1 | Very high | 31 Ų | 31 | 15.6 Ų | 15.6 | 12% | 0.117 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.5 | -56.2 | -178.4 | 172 | 176 | 171.8 | -86.4 | -13.5 | 112.8 | E92 A96 H97 V98 E106 W115 N118 | E92-R94 PolarHBondContact O-N 3.07Å; R94-A96 VanDerWaalsContact C-N 3.27Å; R94-A96 PolarHBondContact O-N 3.2Å; R94-H97 PolarHBondContact O-N 2.98Å; R94-V98 WeakPolarHBondContact O-CG2 3.46Å; R94-V98 PolarHBondContact O-N 3.41Å; R94-E106 VanDerWaalsContact CZ-CD 3.47Å; R94-E106 IonicContact CZ-OE1 3.85Å; R94-E106 VanDerWaalsContact CZ-OE1 3.29Å; R94-E106 IonicContact CZ-OE2 3.16Å; R94-E106 IonicContact NE-OE2 3.98Å; R94-E106 IonicContact NH1-OE1 3.31Å; R94-E106 PolarHBondContact NH1-OE1 3.47Å; R94-E106 VanDerWaalsContact NH1-OE1 3.12Å; R94-E106 IonicContact NH1-OE2 3.71Å; R94-E106 PolarHBondContact NH1-OE2 3.46Å; R94-E106 VanDerWaalsContact NH1-OE2 3.13Å; R94-E106 VanDerWaalsContact NH2-CD 3.3Å; R94-E106 IonicContact NH2-OE1 3.66Å; R94-E106 PolarHBondContact NH2-OE1 3.44Å; R94-E106 IonicContact NH2-OE2 2.67Å; R94-E106 PolarHBondContact NH2-OE2 2.87Å; R94-W115 PolarHBondContact NH1-O 2.86Å; R94-N118 PolarHBondContact NH2-OD1 3.18Å |
| 95 | P | 88.9 | Confident | 91.6 | Very high | 10 Ų | 10 | 17.9 Ų | 17.9 | 7% | 0.065 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -52.2 | -41.9 | 176.8 | -30.7 | 34.9 | 0 | 0 | 0 | 115 | P90 E92 V98 A99 E106 W930 | P90-P95 HydrophobicContact CG-CB 4.38Å; P90-P95 HydrophobicContact CG-CG 4.14Å; E92-P95 HydrophobicContact CB-CG 4.05Å; E92-P95 VanDerWaalsContact O-CD 3.31Å; E92-P95 WeakPolarHBondContact O-CD 3.46Å; P95-V98 PolarHBondContact O-N 3.12Å; P95-A99 PolarHBondContact O-N 3.38Å; P95-E106 HydrophobicContact CB-CB 3.65Å; P95-E106 HydrophobicContact CB-CG 4.36Å; P95-E106 HydrophobicContact CG-CB 3.94Å; P95-E106 HydrophobicContact CG-CG 4.11Å; P95-W930 HydrophobicContact CG-CZ2 4.18Å |
| 96 | A | 93.3 | Very high | 91 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.5 | -41.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | E92 S93 R94 V98 A99 M100 D264 | E92-A96 WeakPolarHBondContact O-CB 3.35Å; E92-A96 PolarHBondContact O-N 2.76Å; S93-A96 PolarHBondContact O-N 2.77Å; R94-A96 VanDerWaalsContact C-N 3.27Å; R94-A96 PolarHBondContact O-N 3.2Å; A96-V98 PolarHBondContact O-N 3.19Å; A96-A99 WeakPolarHBondContact O-CB 3.5Å; A96-A99 PolarHBondContact O-N 3.03Å; A96-M100 WeakPolarHBondContact O-CG 2.9Å; A96-M100 PolarHBondContact O-N 3.27Å; A96-D264 HydrophobicContact CB-CB 3.62Å; A96-D264 VanDerWaalsContact CB-O 3.22Å; A96-D264 WeakPolarHBondContact CB-O 3.46Å |
| 97 | H | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.3 | -37.9 | 174.5 | -75.1 | 93.9 | 0 | 0 | 0 | 113 | S93 R94 A99 M100 L101 V140 F144 F208 H210 D264 | S93-H97 PolarHBondContact O-N 3.23Å; S93-H97 PolarHBondContact O-ND1 3.45Å; R94-H97 PolarHBondContact O-N 2.98Å; H97-A99 VanDerWaalsContact C-N 3.28Å; H97-A99 PolarHBondContact O-N 3.36Å; H97-M100 PolarHBondContact O-N 3.24Å; H97-L101 WeakPolarHBondContact O-CB 3.39Å; H97-L101 PolarHBondContact O-N 3.27Å; H97-V140 HydrophobicContact CB-CG1 4.09Å; H97-F144 HydrophobicContact CB-CE2 3.87Å; H97-F144 HydrophobicContact CB-CZ 3.86Å; H97-F144 WeakPolarHBondContact O-CZ 3.25Å; H97-F208 AromaticContact CD2-CZ 3.38Å; H97-F208 WeakPolarHBondContact CD2-CZ 3.3Å; H97-F208 AromaticContact NE2-CZ 3.59Å; H97-H210 AromaticContact CE1-CD2 3.46Å; H97-H210 PolarHBondContact CE1-CD2 3.46Å; H97-H210 VanDerWaalsContact CE1-CD2 3.46Å; H97-H210 AromaticContact CE1-NE2 3.57Å; H97-H210 AromaticContact NE2-CD2 3.36Å; H97-H210 PolarHBondContact NE2-CD2 3.19Å; H97-H210 AromaticContact NE2-NE2 3.97Å; H97-D264 IonicContact CE1-OD2 2.7Å; H97-D264 PolarHBondContact CE1-OD2 3.03Å; H97-D264 IonicContact ND1-OD2 2.66Å |
| 98 | V | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 173.2 | 175 | 0 | 0 | 0 | 0 | 110.2 | R94 P95 A96 G102 G103 F104 F122 F144 | R94-V98 WeakPolarHBondContact O-CG2 3.46Å; R94-V98 PolarHBondContact O-N 3.41Å; P95-V98 PolarHBondContact O-N 3.12Å; A96-V98 PolarHBondContact O-N 3.19Å; V98-G102 VanDerWaalsContact O-CA 3.24Å; V98-G102 WeakPolarHBondContact O-CA 3.28Å; V98-G102 PolarHBondContact O-N 3.34Å; V98-G103 PolarHBondContact O-N 2.92Å; V98-F104 CarbonylContact C-O 3.59Å; V98-F104 HydrophobicContact CG1-CD2 4.29Å; V98-F104 HydrophobicContact CG1-CE1 4.16Å; V98-F104 HydrophobicContact CG1-CE2 3.61Å; V98-F104 HydrophobicContact CG1-CZ 3.54Å; V98-F122 HydrophobicContact CB-CZ 4.37Å; V98-F122 HydrophobicContact CG1-CE1 4.08Å; V98-F122 HydrophobicContact CG1-CE2 4.32Å; V98-F122 HydrophobicContact CG1-CZ 3.84Å; V98-F122 HydrophobicContact CG2-CE1 4.23Å; V98-F122 HydrophobicContact CG2-CZ 3.88Å; V98-F144 HydrophobicContact CG2-CZ 4.22Å |
| 99 | A | 94.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.008 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | P95 A96 H97 G103 F104 Q329 A330 | P95-A99 PolarHBondContact O-N 3.38Å; A96-A99 WeakPolarHBondContact O-CB 3.5Å; A96-A99 PolarHBondContact O-N 3.03Å; H97-A99 VanDerWaalsContact C-N 3.28Å; H97-A99 PolarHBondContact O-N 3.36Å; A99-G103 WeakPolarHBondContact O-CA 3.48Å; A99-G103 PolarHBondContact O-N 3.44Å; A99-F104 WeakPolarHBondContact CA-O 2.95Å; A99-F104 PolarHBondContact N-O 3.29Å; A99-Q329 HydrophobicContact CB-CG 4.25Å; A99-A330 WeakPolarHBondContact O-CA 3.48Å |
| 100 | M | 96.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68 | -38.8 | -177.2 | -67.7 | -172.3 | -69.4 | 0 | 0 | 113.8 | F50 V52 A96 H97 T262 D264 Q329 L332 C333 M336 | F50-M100 HydrophobicContact CE1-CB 4.17Å; F50-M100 HydrophobicContact CZ-CB 3.94Å; F50-M100 HydrophobicContact CZ-CE 4.42Å; F50-M100 HydrophobicContact CZ-CG 4.35Å; F50-M100 HydrophobicContact CZ-SD 3.75Å; V52-M100 HydrophobicContact CG1-CE 3.98Å; V52-M100 HydrophobicContact CG2-CE 3.92Å; V52-M100 HydrophobicContact CG2-SD 4.23Å; A96-M100 WeakPolarHBondContact O-CG 2.9Å; A96-M100 PolarHBondContact O-N 3.27Å; H97-M100 PolarHBondContact O-N 3.24Å; M100-T262 HydrophobicContact SD-CG2 3.84Å; M100-D264 HydrophobicContact CE-CB 3.55Å; M100-Q329 HydrophobicContact CG-CG 3.29Å; M100-Q329 HydrophobicContact SD-CG 4.12Å; M100-L332 HydrophobicContact CB-CD1 4.45Å; M100-L332 HydrophobicContact CG-CD1 3.77Å; M100-L332 HydrophobicContact SD-CD1 3.88Å; M100-C333 VanDerWaalsContact O-CA 3.31Å; M100-C333 WeakPolarHBondContact O-CA 3.39Å; M100-C333 WeakPolarHBondContact O-CB 3.34Å; M100-C333 PolarHBondContact O-N 2.94Å; M100-C333 VanDerWaalsContact O-N 3.17Å; M100-M336 WeakPolarHBondContact O-CE 3.32Å |
| 101 | L | 95.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -99.7 | -34.4 | -173 | -67.1 | 169.1 | 0 | 0 | 0 | 113.6 | F50 H97 S124 V125 L126 F144 M206 F208 M336 | F50-L101 HydrophobicContact CD1-CD2 3.87Å; F50-L101 HydrophobicContact CE1-CD2 3.88Å; F50-L101 HydrophobicContact CE1-CG 4.27Å; H97-L101 WeakPolarHBondContact O-CB 3.39Å; H97-L101 PolarHBondContact O-N 3.27Å; L101-S124 WeakPolarHBondContact O-CA 3.36Å; L101-S124 WeakPolarHBondContact O-CB 3.29Å; L101-V125 HydrophobicContact CD2-CG2 3.77Å; L101-V125 PolarHBondContact O-N 3.12Å; L101-L126 HydrophobicContact CD1-CD1 3.91Å; L101-L126 HydrophobicContact CD2-CD1 4.25Å; L101-L126 HydrophobicContact CD2-CG 4.28Å; L101-F144 HydrophobicContact CB-CD1 4.21Å; L101-F144 HydrophobicContact CB-CE1 3.71Å; L101-F144 HydrophobicContact CB-CZ 4.15Å; L101-F144 HydrophobicContact CD1-CD1 4.04Å; L101-F144 HydrophobicContact CD1-CD2 3.88Å; L101-F144 HydrophobicContact CD1-CE1 3.81Å; L101-F144 HydrophobicContact CD1-CE2 3.66Å; L101-F144 HydrophobicContact CD1-CG 4.08Å; L101-F144 HydrophobicContact CD1-CZ 3.63Å; L101-F144 HydrophobicContact CG-CE1 4.4Å; L101-F144 HydrophobicContact CG-CZ 4.44Å; L101-M206 HydrophobicContact CD2-CE 3.63Å; L101-F208 HydrophobicContact CD1-CD1 3.89Å; L101-F208 HydrophobicContact CD1-CE1 3.77Å; L101-F208 HydrophobicContact CD1-CZ 4.45Å; L101-M336 HydrophobicContact CD2-CE 4.11Å |
| 102 | G | 93.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -94.9 | -21.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V98 F104 | V98-G102 VanDerWaalsContact O-CA 3.24Å; V98-G102 WeakPolarHBondContact O-CA 3.28Å; V98-G102 PolarHBondContact O-N 3.34Å; G102-F104 WeakPolarHBondContact O-CD1 3.13Å |
| 103 | G | 95.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 81.9 | 15.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V98 A99 S348 I349 G350 | V98-G103 PolarHBondContact O-N 2.92Å; A99-G103 WeakPolarHBondContact O-CA 3.48Å; A99-G103 PolarHBondContact O-N 3.44Å; G103-S348 WeakPolarHBondContact O-CA 3.37Å; G103-I349 WeakPolarHBondContact O-CG1 3.44Å; G103-I349 PolarHBondContact O-N 3.49Å; G103-G350 PolarHBondContact O-N 3.33Å |
| 104 | F | 92.7 | Very high | 85.2 | Confident | 7 Ų | 7 | 20.8 Ų | 20.8 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -143.9 | 156.8 | 178 | 67.8 | -86.4 | 0 | 0 | 0 | 111 | L30 V98 A99 G102 F122 N347 I349 | L30-F104 HydrophobicContact CD1-CE2 4.01Å; L30-F104 HydrophobicContact CD1-CZ 4.06Å; L30-F104 HydrophobicContact CD2-CD1 4.21Å; L30-F104 HydrophobicContact CD2-CD2 3.56Å; L30-F104 HydrophobicContact CD2-CE1 4.16Å; L30-F104 HydrophobicContact CD2-CE2 3.57Å; L30-F104 HydrophobicContact CD2-CG 3.94Å; L30-F104 HydrophobicContact CD2-CZ 3.87Å; L30-F104 HydrophobicContact CG-CE2 4.23Å; V98-F104 CarbonylContact C-O 3.59Å; V98-F104 HydrophobicContact CG1-CD2 4.29Å; V98-F104 HydrophobicContact CG1-CE1 4.16Å; V98-F104 HydrophobicContact CG1-CE2 3.61Å; V98-F104 HydrophobicContact CG1-CZ 3.54Å; A99-F104 WeakPolarHBondContact CA-O 2.95Å; A99-F104 PolarHBondContact N-O 3.29Å; G102-F104 WeakPolarHBondContact O-CD1 3.13Å; F104-F122 HydrophobicContact CE1-CB 3.87Å; F104-F122 HydrophobicContact CE1-CD1 4.34Å; F104-F122 AromaticContact CE1-CD2 3.6Å; F104-F122 HydrophobicContact CE1-CD2 3.6Å; F104-F122 HydrophobicContact CE1-CE2 4.2Å; F104-F122 AromaticContact CE1-CG 3.7Å; F104-F122 HydrophobicContact CE1-CG 3.7Å; F104-F122 HydrophobicContact CZ-CB 3.77Å; F104-F122 AromaticContact CZ-CD1 3.64Å; F104-F122 HydrophobicContact CZ-CD1 3.64Å; F104-F122 AromaticContact CZ-CD2 3.74Å; F104-F122 HydrophobicContact CZ-CD2 3.74Å; F104-F122 HydrophobicContact CZ-CE1 4.07Å; F104-F122 HydrophobicContact CZ-CE2 4.21Å; F104-F122 AromaticContact CZ-CG 3.45Å; F104-F122 HydrophobicContact CZ-CG 3.45Å; F104-F122 VanDerWaalsContact CZ-CG 3.45Å; F104-F122 HydrophobicContact CZ-CZ 4.38Å; F104-N347 HydrophobicContact CD1-CB 3.96Å; F104-N347 HydrophobicContact CE1-CB 4.16Å; F104-I349 HydrophobicContact CB-CD1 4.4Å; F104-I349 HydrophobicContact CB-CG1 3.93Å |
| 105 | N | 85.7 | Confident | 84.2 | Confident | 48 Ų | 48 | 22.3 Ų | 22.3 | 26% | 0.257 | 13% | 0.125 | S | C | . | . | trans | -70.6 | 149.7 | 177.4 | -81.6 | -0.8 | 0 | 0 | 0 | 111.8 | R88 D107 | R88-N105 PolarHBondContact NE-ND2 3.26Å; R88-N105 PolarHBondContact NE-OD1 3.24Å; R88-N105 PolarHBondContact NH1-ND2 3.3Å; R88-N105 PolarHBondContact NH2-ND2 3.01Å; R88-N105 PolarHBondContact NH2-OD1 3.13Å; N105-D107 PolarHBondContact O-N 2.87Å | ||
| 106 | E | 82.8 | Confident | 83.1 | Confident | 11 Ų | 11 | 30.2 Ų | 30.2 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | trans | -43.5 | 137.7 | 174.1 | -176 | 60.1 | -132.1 | 0 | 0 | 113.3 | R94 P95 V108 S110 W930 | R94-E106 VanDerWaalsContact CZ-CD 3.47Å; R94-E106 IonicContact CZ-OE1 3.85Å; R94-E106 VanDerWaalsContact CZ-OE1 3.29Å; R94-E106 IonicContact CZ-OE2 3.16Å; R94-E106 IonicContact NE-OE2 3.98Å; R94-E106 IonicContact NH1-OE1 3.31Å; R94-E106 PolarHBondContact NH1-OE1 3.47Å; R94-E106 VanDerWaalsContact NH1-OE1 3.12Å; R94-E106 IonicContact NH1-OE2 3.71Å; R94-E106 PolarHBondContact NH1-OE2 3.46Å; R94-E106 VanDerWaalsContact NH1-OE2 3.13Å; R94-E106 VanDerWaalsContact NH2-CD 3.3Å; R94-E106 IonicContact NH2-OE1 3.66Å; R94-E106 PolarHBondContact NH2-OE1 3.44Å; R94-E106 IonicContact NH2-OE2 2.67Å; R94-E106 PolarHBondContact NH2-OE2 2.87Å; P95-E106 HydrophobicContact CB-CB 3.65Å; P95-E106 HydrophobicContact CB-CG 4.36Å; P95-E106 HydrophobicContact CG-CB 3.94Å; P95-E106 HydrophobicContact CG-CG 4.11Å; E106-V108 PolarHBondContact O-N 3.35Å; E106-S110 PolarHBondContact OE1-OG 3.35Å; E106-W930 HydrophobicContact CG-CH2 4.34Å; E106-W930 HydrophobicContact CG-CZ2 4.1Å | ||
| 107 | D | 81.3 | Confident | 81.7 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | trans | -68.8 | 117 | 177.9 | -172.2 | -14.4 | 0 | 0 | 0 | 110.2 | S28 P29 N105 A109 S110 P119 | S28-D107 VanDerWaalsContact CA-OD1 3.32Å; S28-D107 WeakPolarHBondContact CA-OD1 3.2Å; S28-D107 WeakPolarHBondContact CB-OD2 3.43Å; S28-D107 PolarHBondContact OG-OD2 3.26Å; P29-D107 VanDerWaalsContact CD-OD1 3.31Å; P29-D107 WeakPolarHBondContact CD-OD1 3.23Å; N105-D107 PolarHBondContact O-N 2.87Å; D107-A109 PolarHBondContact O-N 3.33Å; D107-A109 VanDerWaalsContact O-N 3.14Å; D107-A109 WeakPolarHBondContact OD1-CB 3.45Å; D107-A109 PolarHBondContact OD1-N 3.48Å; D107-S110 WeakPolarHBondContact O-CB 3.26Å; D107-S110 PolarHBondContact O-N 3.12Å; D107-S110 PolarHBondContact O-OG 3.47Å; D107-P119 HydrophobicContact CB-CG 4.38Å; D107-P119 WeakPolarHBondContact OD2-CG 3.41Å | ||
| 108 | V | 80.2 | Confident | 80.4 | Confident | 29 Ų | 29 | 36.3 Ų | 36.3 | 18% | 0.176 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -62.5 | -21.9 | 178.2 | -166.8 | 0 | 0 | 0 | 0 | 111.7 | Y26 E106 S110 I111 W115 I933 | Y26-V108 HydrophobicContact CD1-CG1 3.53Å; Y26-V108 HydrophobicContact CE1-CG1 4.18Å; Y26-V108 HydrophobicContact CG-CG1 4.5Å; E106-V108 PolarHBondContact O-N 3.35Å; V108-S110 PolarHBondContact O-N 3.4Å; V108-I111 WeakPolarHBondContact O-CG2 3.49Å; V108-I111 PolarHBondContact O-N 3Å; V108-W115 HydrophobicContact CG1-CH2 4.26Å; V108-W115 WeakPolarHBondContact O-CH2 3.22Å; V108-I933 HydrophobicContact CG1-CD1 4.25Å |
| 109 | A | 80.5 | Confident | 78.8 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -63.9 | -18.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y26 D107 I111 T112 P119 | Y26-A109 WeakPolarHBondContact O-CA 3.14Å; Y26-A109 WeakPolarHBondContact O-CB 3.36Å; D107-A109 PolarHBondContact O-N 3.33Å; D107-A109 VanDerWaalsContact O-N 3.14Å; D107-A109 WeakPolarHBondContact OD1-CB 3.45Å; D107-A109 PolarHBondContact OD1-N 3.48Å; A109-I111 PolarHBondContact O-N 3.11Å; A109-T112 PolarHBondContact O-N 2.71Å; A109-T112 VanDerWaalsContact O-N 3.12Å; A109-T112 PolarHBondContact O-OG1 3.36Å; A109-P119 HydrophobicContact CB-CG 4.09Å |
| 110 | S | 77.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -58.8 | -15.6 | 172.8 | -62.9 | 0 | 0 | 0 | 0 | 112.8 | E106 D107 V108 T112 K113 G114 W115 P119 | E106-S110 PolarHBondContact OE1-OG 3.35Å; D107-S110 WeakPolarHBondContact O-CB 3.26Å; D107-S110 PolarHBondContact O-N 3.12Å; D107-S110 PolarHBondContact O-OG 3.47Å; V108-S110 PolarHBondContact O-N 3.4Å; S110-T112 PolarHBondContact O-N 3.01Å; S110-K113 CarbonylContact O-C 3.59Å; S110-K113 WeakPolarHBondContact O-CA 3.37Å; S110-K113 PolarHBondContact O-N 3.23Å; S110-G114 PolarHBondContact O-N 2.86Å; S110-W115 VanDerWaalsContact C-CE3 3.46Å; S110-W115 VanDerWaalsContact C-CZ3 3.46Å; S110-W115 VanDerWaalsContact CB-CZ3 3.49Å; S110-W115 PolarHBondContact O-N 2.76Å; S110-P119 WeakPolarHBondContact OG-CD 3.36Å |
| 111 | I | 72.6 | Confident | 76.8 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 18% | 0.179 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -55.2 | -37.3 | 172.8 | -161.2 | 164.7 | 0 | 0 | 0 | 111.9 | F22 V108 A109 K113 G114 W115 I933 I937 | F22-I111 HydrophobicContact CD1-CG2 4.22Å; F22-I111 HydrophobicContact CE1-CG2 4.09Å; V108-I111 WeakPolarHBondContact O-CG2 3.49Å; V108-I111 PolarHBondContact O-N 3Å; A109-I111 PolarHBondContact O-N 3.11Å; I111-K113 PolarHBondContact O-N 3.01Å; I111-G114 PolarHBondContact O-N 3.5Å; I111-W115 VanDerWaalsContact CA-CH2 3.43Å; I111-W115 HydrophobicContact CB-CH2 3.3Å; I111-W115 HydrophobicContact CB-CZ2 3.17Å; I111-W115 HydrophobicContact CB-CZ3 4.15Å; I111-W115 HydrophobicContact CD1-CH2 4.44Å; I111-W115 HydrophobicContact CD1-CZ2 3.73Å; I111-W115 HydrophobicContact CG1-CH2 4.02Å; I111-W115 HydrophobicContact CG1-CZ2 3.33Å; I111-W115 HydrophobicContact CG2-CH2 4.42Å; I111-I933 HydrophobicContact CD1-CG2 4.25Å; I111-I937 HydrophobicContact CD1-CD1 3.33Å |
| 112 | T | 70.3 | Confident | 76.3 | Confident | 81 Ų | 81 | 49 Ų | 49 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -69.4 | -17.8 | -178.4 | 65 | 0 | 0 | 0 | 0 | 112.5 | F22 A109 S110 | F22-T112 HydrophobicContact CD1-CG2 4.03Å; F22-T112 HydrophobicContact CE1-CG2 4.48Å; A109-T112 PolarHBondContact O-N 2.71Å; A109-T112 VanDerWaalsContact O-N 3.12Å; A109-T112 PolarHBondContact O-OG1 3.36Å; S110-T112 PolarHBondContact O-N 3.01Å |
| 113 | K | 70.3 | Confident | 76.2 | Confident | 123 Ų | 123 | 49.7 Ų | 49.7 | 54% | 0.535 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -105.8 | 12.3 | 174.6 | -57 | -59 | -177.5 | -179.1 | 0 | 112.3 | S110 I111 W115 K116 | S110-K113 CarbonylContact O-C 3.59Å; S110-K113 WeakPolarHBondContact O-CA 3.37Å; S110-K113 PolarHBondContact O-N 3.23Å; I111-K113 PolarHBondContact O-N 3.01Å; K113-W115 PolarHBondContact O-N 3.49Å; K113-K116 PolarHBondContact O-N 3.49Å |
| 114 | G | 65 | Low | 76.1 | Confident | 44 Ų | 44 | 49.7 Ų | 49.7 | 45% | 0.454 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 31.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | S110 I111 K116 | S110-G114 PolarHBondContact O-N 2.86Å; I111-G114 PolarHBondContact O-N 3.5Å; G114-K116 WeakPolarHBondContact O-CG 3.47Å; G114-K116 PolarHBondContact O-N 2.58Å; G114-K116 VanDerWaalsContact O-N 3.12Å |
| 115 | W | 66.8 | Low | 76.2 | Confident | 63 Ų | 63 | 49.4 Ų | 49.4 | 24% | 0.239 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 11.1 | 179.6 | -47.1 | 112.8 | 0 | 0 | 0 | 115.7 | R94 V108 S110 I111 K113 W930 | R94-W115 PolarHBondContact NH1-O 2.86Å; V108-W115 HydrophobicContact CG1-CH2 4.26Å; V108-W115 WeakPolarHBondContact O-CH2 3.22Å; S110-W115 VanDerWaalsContact C-CE3 3.46Å; S110-W115 VanDerWaalsContact C-CZ3 3.46Å; S110-W115 VanDerWaalsContact CB-CZ3 3.49Å; S110-W115 PolarHBondContact O-N 2.76Å; I111-W115 VanDerWaalsContact CA-CH2 3.43Å; I111-W115 HydrophobicContact CB-CH2 3.3Å; I111-W115 HydrophobicContact CB-CZ2 3.17Å; I111-W115 HydrophobicContact CB-CZ3 4.15Å; I111-W115 HydrophobicContact CD1-CH2 4.44Å; I111-W115 HydrophobicContact CD1-CZ2 3.73Å; I111-W115 HydrophobicContact CG1-CH2 4.02Å; I111-W115 HydrophobicContact CG1-CZ2 3.33Å; I111-W115 HydrophobicContact CG2-CH2 4.42Å; K113-W115 PolarHBondContact O-N 3.49Å; W115-W930 HydrophobicContact CD2-CD2 4.19Å; W115-W930 AromaticContact CD2-CE2 3.97Å; W115-W930 HydrophobicContact CD2-CE3 4.2Å; W115-W930 AromaticContact CD2-CH2 3.98Å; W115-W930 HydrophobicContact CD2-CH2 3.98Å; W115-W930 AromaticContact CD2-CZ2 3.82Å; W115-W930 HydrophobicContact CD2-CZ2 3.82Å; W115-W930 HydrophobicContact CD2-CZ3 4.18Å; W115-W930 AromaticContact CE2-CD2 3.82Å; W115-W930 AromaticContact CE2-CE3 3.54Å; W115-W930 AromaticContact CE2-CZ3 3.76Å; W115-W930 HydrophobicContact CE3-CE3 4.38Å; W115-W930 AromaticContact CE3-CH2 3.37Å; W115-W930 HydrophobicContact CE3-CH2 3.37Å; W115-W930 AromaticContact CE3-CZ2 3.39Å; W115-W930 HydrophobicContact CE3-CZ2 3.39Å; W115-W930 AromaticContact CE3-CZ3 3.91Å; W115-W930 HydrophobicContact CE3-CZ3 3.91Å; W115-W930 HydrophobicContact CH2-CD2 4.32Å; W115-W930 AromaticContact CH2-CE3 3.44Å; W115-W930 HydrophobicContact CH2-CE3 3.44Å; W115-W930 VanDerWaalsContact CH2-CE3 3.44Å; W115-W930 AromaticContact CH2-CH2 3.05Å; W115-W930 HydrophobicContact CH2-CH2 3.05Å; W115-W930 AromaticContact CH2-CZ2 3.9Å; W115-W930 HydrophobicContact CH2-CZ2 3.9Å; W115-W930 AromaticContact CH2-CZ3 2.77Å; W115-W930 HydrophobicContact CH2-CZ3 2.77Å; W115-W930 AromaticContact CZ2-CD2 3.86Å; W115-W930 HydrophobicContact CZ2-CD2 3.86Å; W115-W930 AromaticContact CZ2-CE3 3.08Å; W115-W930 HydrophobicContact CZ2-CE3 3.08Å; W115-W930 AromaticContact CZ2-CH2 3.62Å; W115-W930 HydrophobicContact CZ2-CH2 3.62Å; W115-W930 HydrophobicContact CZ2-CZ2 4.19Å; W115-W930 AromaticContact CZ2-CZ3 3.03Å; W115-W930 HydrophobicContact CZ2-CZ3 3.03Å; W115-W930 HydrophobicContact CZ3-CE3 4.06Å; W115-W930 AromaticContact CZ3-CH2 2.88Å; W115-W930 HydrophobicContact CZ3-CH2 2.88Å; W115-W930 AromaticContact CZ3-CZ2 3.48Å; W115-W930 HydrophobicContact CZ3-CZ2 3.48Å; W115-W930 VanDerWaalsContact CZ3-CZ2 3.48Å; W115-W930 AromaticContact CZ3-CZ3 3.26Å; W115-W930 HydrophobicContact CZ3-CZ3 3.26Å |
| 116 | K | 64.8 | Low | 76.6 | Confident | 176 Ų | 176 | 47.1 Ų | 47.1 | 77% | 0.765 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -88.5 | -26.7 | -175.1 | -63.7 | -168.4 | 177 | -171 | 0 | 114.6 | K113 G114 | K113-K116 PolarHBondContact O-N 3.49Å; G114-K116 WeakPolarHBondContact O-CG 3.47Å; G114-K116 PolarHBondContact O-N 2.58Å; G114-K116 VanDerWaalsContact O-N 3.12Å |
| 117 | V | 64.8 | Low | 77 | Confident | 92 Ų | 92 | 48.1 Ų | 48.1 | 56% | 0.558 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -143 | 140.5 | -171.7 | -170.2 | 0 | 0 | 0 | 0 | 108.6 | ||
| 118 | N | 65.9 | Low | 77.6 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | trans | -61 | 125 | 170 | -60 | -50.6 | 0 | 0 | 0 | 108.7 | R94 V120 F122 | R94-N118 PolarHBondContact NH2-OD1 3.18Å; N118-V120 VanDerWaalsContact CB-O 3.29Å; N118-V120 WeakPolarHBondContact CB-O 3.32Å; N118-V120 PolarHBondContact O-N 3.15Å; N118-V120 VanDerWaalsContact O-N 3.12Å; N118-F122 HydrophobicContact CB-CE1 4.48Å; N118-F122 VanDerWaalsContact CG-CE1 3.47Å; N118-F122 VanDerWaalsContact ND2-CE1 3.27Å; N118-F122 WeakPolarHBondContact ND2-CE1 3.31Å; N118-F122 WeakPolarHBondContact OD1-CE1 3.31Å | ||
| 119 | P | 58.9 | Low | 78.3 | Confident | 48 Ų | 48 | 47.8 Ų | 47.8 | 31% | 0.312 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -62.6 | -19.8 | 173.7 | 27.4 | -35.2 | 0 | 0 | 0 | 111.2 | D107 A109 S110 | D107-P119 HydrophobicContact CB-CG 4.38Å; D107-P119 WeakPolarHBondContact OD2-CG 3.41Å; A109-P119 HydrophobicContact CB-CG 4.09Å; S110-P119 WeakPolarHBondContact OG-CD 3.36Å |
| 120 | V | 71.2 | Confident | 78.9 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 19% | 0.188 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -141.9 | 129.2 | -169 | 174.5 | 0 | 0 | 0 | 0 | 109 | L30 H32 N118 | L30-V120 HydrophobicContact CD1-CB 4.28Å; L30-V120 HydrophobicContact CD1-CG1 4.04Å; H32-V120 WeakPolarHBondContact CE1-CG1 3.38Å; H32-V120 WeakPolarHBondContact NE2-CG1 3.37Å; N118-V120 VanDerWaalsContact CB-O 3.29Å; N118-V120 WeakPolarHBondContact CB-O 3.32Å; N118-V120 PolarHBondContact O-N 3.15Å; N118-V120 VanDerWaalsContact O-N 3.12Å |
| 121 | E | 78 | Confident | 79.6 | Confident | 161 Ų | 161 | 51.2 Ų | 51.2 | 75% | 0.752 | 26% | 0.263 | S | S | * | . | trans | -66.8 | 138.7 | 172.4 | -67.1 | -176.8 | 170.8 | 0 | 0 | 110.7 | ||||
| 122 | F | 85.1 | Confident | 80.7 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 13% | 0.127 | 26% | 0.255 | C | S | . | . | trans | -132.7 | 160.4 | -179.5 | 67.1 | -101.8 | 0 | 0 | 0 | 111.8 | L30 V98 F104 N118 F144 | L30-F122 HydrophobicContact CD1-CB 4.26Å; V98-F122 HydrophobicContact CB-CZ 4.37Å; V98-F122 HydrophobicContact CG1-CE1 4.08Å; V98-F122 HydrophobicContact CG1-CE2 4.32Å; V98-F122 HydrophobicContact CG1-CZ 3.84Å; V98-F122 HydrophobicContact CG2-CE1 4.23Å; V98-F122 HydrophobicContact CG2-CZ 3.88Å; F104-F122 HydrophobicContact CE1-CB 3.87Å; F104-F122 HydrophobicContact CE1-CD1 4.34Å; F104-F122 AromaticContact CE1-CD2 3.6Å; F104-F122 HydrophobicContact CE1-CD2 3.6Å; F104-F122 HydrophobicContact CE1-CE2 4.2Å; F104-F122 AromaticContact CE1-CG 3.7Å; F104-F122 HydrophobicContact CE1-CG 3.7Å; F104-F122 HydrophobicContact CZ-CB 3.77Å; F104-F122 AromaticContact CZ-CD1 3.64Å; F104-F122 HydrophobicContact CZ-CD1 3.64Å; F104-F122 AromaticContact CZ-CD2 3.74Å; F104-F122 HydrophobicContact CZ-CD2 3.74Å; F104-F122 HydrophobicContact CZ-CE1 4.07Å; F104-F122 HydrophobicContact CZ-CE2 4.21Å; F104-F122 AromaticContact CZ-CG 3.45Å; F104-F122 HydrophobicContact CZ-CG 3.45Å; F104-F122 VanDerWaalsContact CZ-CG 3.45Å; F104-F122 HydrophobicContact CZ-CZ 4.38Å; N118-F122 HydrophobicContact CB-CE1 4.48Å; N118-F122 VanDerWaalsContact CG-CE1 3.47Å; N118-F122 VanDerWaalsContact ND2-CE1 3.27Å; N118-F122 WeakPolarHBondContact ND2-CE1 3.31Å; N118-F122 WeakPolarHBondContact OD1-CE1 3.31Å; F122-F144 HydrophobicContact CE2-CD1 4.27Å; F122-F144 AromaticContact CE2-CE1 3.99Å; F122-F144 HydrophobicContact CE2-CE1 3.99Å; F122-F144 HydrophobicContact CZ-CD1 4.27Å; F122-F144 AromaticContact CZ-CE1 3.87Å; F122-F144 HydrophobicContact CZ-CE1 3.87Å | ||
| 123 | D | 90.4 | Very high | 81.8 | Confident | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | trans | -88.2 | 146.2 | 178.9 | -172.4 | 26.3 | 0 | 0 | 0 | 111.7 | N127 R128 P345 V346 | D123-N127 WeakPolarHBondContact OD1-CB 3.31Å; D123-R128 VanDerWaalsContact CG-NE 3.35Å; D123-R128 IonicContact OD1-CZ 3.34Å; D123-R128 IonicContact OD1-NE 3.47Å; D123-R128 PolarHBondContact OD1-NE 3.08Å; D123-R128 VanDerWaalsContact OD1-NE 3.16Å; D123-R128 IonicContact OD1-NH2 2.69Å; D123-R128 PolarHBondContact OD1-NH2 3.39Å; D123-R128 IonicContact OD2-CZ 2.65Å; D123-R128 IonicContact OD2-NE 3.8Å; D123-R128 PolarHBondContact OD2-NE 2.93Å; D123-R128 IonicContact OD2-NH2 2.99Å; D123-R128 PolarHBondContact OD2-NH2 3.39Å; D123-P345 HydrophobicContact CB-CB 4.27Å; D123-P345 WeakPolarHBondContact OD2-CA 3.32Å; D123-V346 HydrophobicContact CB-CG2 3.77Å; D123-V346 PolarHBondContact OD2-N 3.04Å; D123-V346 VanDerWaalsContact OD2-N 3.1Å | ||
| 124 | S | 93.1 | Very high | 83 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | trans | -138.5 | 166.1 | 179.1 | 79.9 | 0 | 0 | 0 | 0 | 111.6 | L101 L126 N127 R128 P345 | L101-S124 WeakPolarHBondContact O-CA 3.36Å; L101-S124 WeakPolarHBondContact O-CB 3.29Å; S124-L126 PolarHBondContact O-N 3Å; S124-L126 VanDerWaalsContact O-N 3.16Å; S124-L126 WeakPolarHBondContact OG-CB 3.08Å; S124-L126 PolarHBondContact OG-N 3.46Å; S124-N127 PolarHBondContact N-OD1 3.44Å; S124-N127 WeakPolarHBondContact O-CB 3.44Å; S124-N127 PolarHBondContact O-N 2.87Å; S124-N127 PolarHBondContact OG-N 3.15Å; S124-N127 PolarHBondContact OG-OD1 3.28Å; S124-R128 PolarHBondContact O-N 2.91Å; S124-P345 VanDerWaalsContact C-CG 3.45Å | ||
| 125 | V | 95.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -25.5 | 174.6 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | L101 R128 S129 M206 C333 M336 A337 P345 | L101-V125 HydrophobicContact CD2-CG2 3.77Å; L101-V125 PolarHBondContact O-N 3.12Å; V125-R128 CarbonylContact O-C 3.52Å; V125-R128 PolarHBondContact O-N 2.86Å; V125-S129 PolarHBondContact O-N 3.02Å; V125-M206 HydrophobicContact CB-SD 4.36Å; V125-M206 HydrophobicContact CG2-CE 3.83Å; V125-M206 HydrophobicContact CG2-SD 3.69Å; V125-C333 WeakPolarHBondContact CG1-O 3.32Å; V125-M336 HydrophobicContact CG1-CB 4.22Å; V125-M336 HydrophobicContact CG2-CB 4.48Å; V125-M336 HydrophobicContact CG2-CE 3.95Å; V125-M336 HydrophobicContact CG2-SD 4.37Å; V125-A337 HydrophobicContact CG1-CB 4.26Å; V125-P345 HydrophobicContact CG1-CG 3.8Å |
| 126 | L | 94.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.5 | -43.6 | 175.1 | -59.6 | 160.3 | 0 | 0 | 0 | 110.6 | L101 S124 R128 S129 A132 I134 F144 I152 M206 F208 | L101-L126 HydrophobicContact CD1-CD1 3.91Å; L101-L126 HydrophobicContact CD2-CD1 4.25Å; L101-L126 HydrophobicContact CD2-CG 4.28Å; S124-L126 PolarHBondContact O-N 3Å; S124-L126 VanDerWaalsContact O-N 3.16Å; S124-L126 WeakPolarHBondContact OG-CB 3.08Å; S124-L126 PolarHBondContact OG-N 3.46Å; L126-R128 PolarHBondContact O-N 3.1Å; L126-S129 PolarHBondContact O-N 2.98Å; L126-S129 PolarHBondContact O-OG 3.06Å; L126-A132 HydrophobicContact CB-CB 4.35Å; L126-A132 HydrophobicContact CD2-CB 3.77Å; L126-I134 HydrophobicContact CD1-CD1 3.46Å; L126-I134 VanDerWaalsContact CD1-CD1 3.46Å; L126-I134 HydrophobicContact CD1-CG1 4.43Å; L126-I134 HydrophobicContact CD2-CD1 3.96Å; L126-I134 HydrophobicContact CD2-CG1 4.13Å; L126-I134 HydrophobicContact CG-CD1 4.24Å; L126-F144 HydrophobicContact CD1-CB 3.74Å; L126-F144 HydrophobicContact CD1-CD1 4.31Å; L126-F144 HydrophobicContact CD1-CG 4.02Å; L126-I152 HydrophobicContact CB-CD1 4.07Å; L126-M206 HydrophobicContact CD2-CB 4.38Å; L126-M206 HydrophobicContact CD2-CE 4.15Å; L126-M206 HydrophobicContact CD2-CG 4.05Å; L126-M206 HydrophobicContact CD2-SD 3.58Å; L126-M206 VanDerWaalsContact CD2-SD 3.58Å; L126-M206 HydrophobicContact CG-SD 4.23Å; L126-F208 HydrophobicContact CD2-CB 4.48Å |
| 127 | N | 91.9 | Very high | 86.6 | Confident | 32 Ų | 32 | 30.6 Ų | 30.6 | 17% | 0.171 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60 | -33.9 | 174 | -61.8 | 69.2 | 0 | 0 | 0 | 111.5 | D123 S124 H151 R202 | D123-N127 WeakPolarHBondContact OD1-CB 3.31Å; S124-N127 PolarHBondContact N-OD1 3.44Å; S124-N127 WeakPolarHBondContact O-CB 3.44Å; S124-N127 PolarHBondContact O-N 2.87Å; S124-N127 PolarHBondContact OG-N 3.15Å; S124-N127 PolarHBondContact OG-OD1 3.28Å; N127-H151 PolarHBondContact O-NE2 3.48Å; N127-R202 WeakPolarHBondContact O-CD 3.37Å |
| 128 | R | 93.5 | Very high | 87.6 | Confident | 26 Ų | 26 | 30.7 Ų | 30.7 | 10% | 0.098 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -84.2 | -10.7 | -180 | -60.3 | -67 | 161.5 | -151.9 | -2.8 | 114.5 | D123 S124 V125 L126 R202 Q203 V342 | D123-R128 VanDerWaalsContact CG-NE 3.35Å; D123-R128 IonicContact OD1-CZ 3.34Å; D123-R128 IonicContact OD1-NE 3.47Å; D123-R128 PolarHBondContact OD1-NE 3.08Å; D123-R128 VanDerWaalsContact OD1-NE 3.16Å; D123-R128 IonicContact OD1-NH2 2.69Å; D123-R128 PolarHBondContact OD1-NH2 3.39Å; D123-R128 IonicContact OD2-CZ 2.65Å; D123-R128 IonicContact OD2-NE 3.8Å; D123-R128 PolarHBondContact OD2-NE 2.93Å; D123-R128 IonicContact OD2-NH2 2.99Å; D123-R128 PolarHBondContact OD2-NH2 3.39Å; S124-R128 PolarHBondContact O-N 2.91Å; V125-R128 CarbonylContact O-C 3.52Å; V125-R128 PolarHBondContact O-N 2.86Å; L126-R128 PolarHBondContact O-N 3.1Å; R128-R202 WeakPolarHBondContact O-CA 2.87Å; R128-R202 VanDerWaalsContact O-CB 3.29Å; R128-R202 WeakPolarHBondContact O-CB 3.17Å; R128-Q203 PolarHBondContact O-N 3.39Å; R128-V342 HydrophobicContact CB-CB 4.08Å; R128-V342 HydrophobicContact CB-CG2 3.82Å; R128-V342 WeakPolarHBondContact O-CG1 3.49Å |
| 129 | S | 93.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -75.6 | 152.3 | 174 | 74.7 | 0 | 0 | 0 | 0 | 111.9 | V125 L126 L131 A132 H151 R202 | V125-S129 PolarHBondContact O-N 3.02Å; L126-S129 PolarHBondContact O-N 2.98Å; L126-S129 PolarHBondContact O-OG 3.06Å; S129-L131 PolarHBondContact OG-O 2.78Å; S129-A132 WeakPolarHBondContact OG-CB 3.48Å; S129-H151 PolarHBondContact O-CD2 2.96Å; S129-H151 VanDerWaalsContact O-CD2 3.23Å; S129-R202 WeakPolarHBondContact O-CB 3.39Å |
| 130 | F | 93.4 | Very high | 89.5 | Confident | 61 Ų | 61 | 33.4 Ų | 33.4 | 27% | 0.268 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -67.8 | -42 | 172.3 | -178.6 | -98.5 | 0 | 0 | 0 | 111.4 | H151 A196 Q203 G204 | F130-H151 WeakPolarHBondContact O-CB 3.19Å; F130-A196 HydrophobicContact CD2-CB 4.32Å; F130-A196 HydrophobicContact CE1-CB 4.46Å; F130-A196 HydrophobicContact CE2-CB 3.94Å; F130-A196 HydrophobicContact CZ-CB 4.02Å; F130-Q203 PolarHBondContact N-O 3.24Å; F130-G204 WeakPolarHBondContact CA-O 3.35Å; F130-G204 WeakPolarHBondContact CB-O 3.36Å; F130-G204 PolarHBondContact N-O 2.88Å |
| 131 | L | 93 | Very high | 90.2 | Very high | 23 Ų | 23 | 32 Ų | 32 | 12% | 0.12 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 138.9 | 170.2 | -69.3 | 169 | 0 | 0 | 0 | 109.4 | S129 W133 H151 G204 R205 M206 | S129-L131 PolarHBondContact OG-O 2.78Å; L131-W133 HydrophobicContact CB-CE3 4.43Å; L131-W133 HydrophobicContact CB-CH2 3.73Å; L131-W133 HydrophobicContact CB-CZ3 3.65Å; L131-W133 HydrophobicContact CD1-CH2 3.77Å; L131-W133 HydrophobicContact CD1-CZ2 4.41Å; L131-W133 HydrophobicContact CD1-CZ3 4.5Å; L131-W133 HydrophobicContact CG-CH2 4.34Å; L131-H151 CarbonylContact C-O 3.4Å; L131-H151 WeakPolarHBondContact CA-O 2.84Å; L131-H151 HydrophobicContact CD2-CB 4.09Å; L131-G204 PolarHBondContact N-O 3Å; L131-R205 HydrophobicContact CB-CG 4.31Å; L131-R205 CarbonylContact O-C 3.19Å; L131-R205 VanDerWaalsContact O-CA 3.28Å; L131-R205 WeakPolarHBondContact O-CA 3.41Å; L131-M206 PolarHBondContact O-N 3.15Å |
| 132 | A | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L126 S129 H151 I152 K153 M206 | L126-A132 HydrophobicContact CB-CB 4.35Å; L126-A132 HydrophobicContact CD2-CB 3.77Å; S129-A132 WeakPolarHBondContact OG-CB 3.48Å; A132-H151 PolarHBondContact N-O 2.88Å; A132-I152 HydrophobicContact CB-CG1 4.27Å; A132-I152 HydrophobicContact CB-CG2 4.33Å; A132-I152 CarbonylContact O-C 3.5Å; A132-I152 WeakPolarHBondContact O-CA 3.48Å; A132-K153 PolarHBondContact O-N 3.33Å; A132-M206 CarbonylContact C-O 3.56Å; A132-M206 VanDerWaalsContact CA-O 3.22Å; A132-M206 WeakPolarHBondContact CA-O 3.39Å; A132-M206 HydrophobicContact CB-CB 4.32Å |
| 133 | W | 94.5 | Very high | 90.1 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 2% | 0.023 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.9 | 167.8 | -65.5 | -103.9 | 0 | 0 | 0 | 110 | L131 W135 K153 L183 F190 R205 M206 I207 F208 | L131-W133 HydrophobicContact CB-CE3 4.43Å; L131-W133 HydrophobicContact CB-CH2 3.73Å; L131-W133 HydrophobicContact CB-CZ3 3.65Å; L131-W133 HydrophobicContact CD1-CH2 3.77Å; L131-W133 HydrophobicContact CD1-CZ2 4.41Å; L131-W133 HydrophobicContact CD1-CZ3 4.5Å; L131-W133 HydrophobicContact CG-CH2 4.34Å; W133-W135 HydrophobicContact CB-CE3 4.19Å; W133-W135 HydrophobicContact CB-CH2 3.49Å; W133-W135 VanDerWaalsContact CB-CH2 3.49Å; W133-W135 HydrophobicContact CB-CZ2 4.09Å; W133-W135 HydrophobicContact CB-CZ3 3.51Å; W133-W135 AromaticContact CG-CH2 3.98Å; W133-W135 HydrophobicContact CG-CH2 3.98Å; W133-W135 HydrophobicContact CG-CZ2 4.43Å; W133-W135 HydrophobicContact CG-CZ3 4.45Å; W133-K153 WeakPolarHBondContact CA-O 3.27Å; W133-K153 HydrophobicContact CG-CB 4.26Å; W133-K153 HydrophobicContact CZ2-CD 4.31Å; W133-L183 HydrophobicContact CB-CD2 4.36Å; W133-L183 HydrophobicContact CD2-CD2 3.7Å; W133-L183 HydrophobicContact CE3-CD2 4.41Å; W133-L183 HydrophobicContact CG-CD2 3.67Å; W133-L183 HydrophobicContact CZ2-CD1 4.36Å; W133-L183 HydrophobicContact CZ2-CD2 4.27Å; W133-L183 VanDerWaalsContact NE1-CD1 3.29Å; W133-F190 HydrophobicContact CE3-CD2 4.46Å; W133-F190 HydrophobicContact CH2-CD2 4.03Å; W133-F190 AromaticContact CZ3-CD2 3.92Å; W133-F190 HydrophobicContact CZ3-CD2 3.92Å; W133-F190 HydrophobicContact CZ3-CE2 4.27Å; W133-R205 HydrophobicContact CZ3-CB 4.37Å; W133-R205 HydrophobicContact CZ3-CG 4.31Å; W133-M206 PolarHBondContact N-O 3.46Å; W133-I207 HydrophobicContact CB-CG1 4.46Å; W133-I207 HydrophobicContact CE3-CG1 4.47Å; W133-I207 WeakPolarHBondContact O-CA 3.37Å; W133-F208 PolarHBondContact O-N 3.07Å |
| 134 | I | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 129.9 | -175.2 | -47.8 | 175.2 | 0 | 0 | 0 | 109.3 | L126 V141 F144 I152 K153 A154 T155 F208 | L126-I134 HydrophobicContact CD1-CD1 3.46Å; L126-I134 VanDerWaalsContact CD1-CD1 3.46Å; L126-I134 HydrophobicContact CD1-CG1 4.43Å; L126-I134 HydrophobicContact CD2-CD1 3.96Å; L126-I134 HydrophobicContact CD2-CG1 4.13Å; L126-I134 HydrophobicContact CG-CD1 4.24Å; I134-V141 HydrophobicContact CB-CG1 4.45Å; I134-V141 HydrophobicContact CG2-CB 4.4Å; I134-V141 HydrophobicContact CG2-CG1 4.07Å; I134-V141 HydrophobicContact CG2-CG2 4.02Å; I134-F144 HydrophobicContact CD1-CB 4.46Å; I134-I152 HydrophobicContact CD1-CG2 3.69Å; I134-I152 HydrophobicContact CG1-CG2 4.33Å; I134-K153 PolarHBondContact N-O 3.09Å; I134-A154 HydrophobicContact CB-CB 4.3Å; I134-A154 WeakPolarHBondContact O-CA 3.31Å; I134-T155 PolarHBondContact O-N 3.4Å; I134-F208 WeakPolarHBondContact CA-O 3.1Å; I134-F208 HydrophobicContact CG1-CB 4.24Å; I134-F208 HydrophobicContact CG2-CB 4.19Å; I134-F208 HydrophobicContact CG2-CD1 3.49Å; I134-F208 VanDerWaalsContact CG2-CD1 3.49Å; I134-F208 HydrophobicContact CG2-CE1 4.15Å; I134-F208 HydrophobicContact CG2-CG 4.18Å |
| 135 | W | 94.8 | Very high | 88.7 | Confident | 9 Ų | 9 | 31.4 Ų | 31.4 | 3% | 0.034 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 145.2 | 174.5 | -61.6 | -90.2 | 0 | 0 | 0 | 111.1 | W133 W175 V176 Q179 F180 L183 I207 F208 L209 H210 | W133-W135 HydrophobicContact CB-CE3 4.19Å; W133-W135 HydrophobicContact CB-CH2 3.49Å; W133-W135 VanDerWaalsContact CB-CH2 3.49Å; W133-W135 HydrophobicContact CB-CZ2 4.09Å; W133-W135 HydrophobicContact CB-CZ3 3.51Å; W133-W135 AromaticContact CG-CH2 3.98Å; W133-W135 HydrophobicContact CG-CH2 3.98Å; W133-W135 HydrophobicContact CG-CZ2 4.43Å; W133-W135 HydrophobicContact CG-CZ3 4.45Å; W135-W175 HydrophobicContact CB-CZ3 4.33Å; W135-V176 HydrophobicContact CB-CG1 4.03Å; W135-V176 HydrophobicContact CB-CG2 4.3Å; W135-Q179 HydrophobicContact CD2-CB 4.28Å; W135-Q179 HydrophobicContact CG-CB 4.07Å; W135-Q179 HydrophobicContact CZ2-CB 4.47Å; W135-F180 HydrophobicContact CH2-CB 4.48Å; W135-F180 HydrophobicContact CZ3-CB 4.22Å; W135-L183 HydrophobicContact CH2-CB 4Å; W135-L183 HydrophobicContact CH2-CD2 3.57Å; W135-L183 HydrophobicContact CH2-CG 4.34Å; W135-L183 HydrophobicContact CZ2-CB 4.15Å; W135-L183 HydrophobicContact CZ2-CD2 4.26Å; W135-I207 HydrophobicContact CZ3-CG2 4.05Å; W135-F208 PolarHBondContact N-O 2.99Å; W135-F208 VanDerWaalsContact N-O 3.13Å; W135-L209 HydrophobicContact CE3-CD2 3.66Å; W135-L209 HydrophobicContact CZ3-CD2 4.02Å; W135-H210 WeakPolarHBondContact O-CB 3.41Å; W135-H210 PolarHBondContact O-N 3.17Å |
| 136 | G | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 144.3 | -148.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | C157 H210 | G136-C157 PolarHBondContact O-N 2.97Å; G136-H210 WeakPolarHBondContact CA-O 3.16Å |
| 137 | Y | 86.7 | Confident | 85.9 | Confident | 75 Ų | 75 | 38.7 Ų | 38.7 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | trans | -68.9 | 136.6 | -171.2 | -163.3 | -110.9 | 0 | 0 | 0 | 112.2 | E139 V140 V141 I172 H210 | Y137-E139 VanDerWaalsContact C-N 3.3Å; Y137-E139 HydrophobicContact CD1-CB 4.14Å; Y137-E139 HydrophobicContact CD1-CG 4.34Å; Y137-E139 HydrophobicContact CE1-CB 4.22Å; Y137-E139 HydrophobicContact CE1-CG 3.94Å; Y137-E139 PolarHBondContact O-N 3.5Å; Y137-V140 PolarHBondContact O-N 3.12Å; Y137-V140 VanDerWaalsContact O-N 3.13Å; Y137-V141 VanDerWaalsContact O-CG2 3.32Å; Y137-V141 WeakPolarHBondContact O-CG2 3.49Å; Y137-V141 PolarHBondContact O-N 3.26Å; Y137-I172 HydrophobicContact CD2-CD1 4.31Å; Y137-H210 PolarHBondContact N-ND1 3.42Å | ||
| 138 | K | 85 | Confident | 84.4 | Confident | 93 Ų | 93 | 42.2 Ų | 42.2 | 40% | 0.404 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.7 | -40.7 | -167.4 | -174.1 | 178.8 | -170 | 168.7 | 0 | 113.6 | M142 P156 D159 | K138-M142 HydrophobicContact CG-CG 4.2Å; K138-M142 VanDerWaalsContact O-CB 3.28Å; K138-M142 WeakPolarHBondContact O-CB 3.38Å; K138-M142 VanDerWaalsContact O-CG 3.25Å; K138-M142 WeakPolarHBondContact O-CG 3.34Å; K138-M142 PolarHBondContact O-N 3.21Å; K138-P156 HydrophobicContact CB-CB 3.99Å; K138-P156 HydrophobicContact CG-CB 4.02Å; K138-D159 IonicContact NZ-OD1 2.81Å; K138-D159 PolarHBondContact NZ-OD1 3.43Å; K138-D159 IonicContact NZ-OD2 3.51Å; K138-D159 PolarHBondContact NZ-OD2 2.66Å |
| 139 | E | 78.8 | Confident | 83.3 | Confident | 137 Ų | 137 | 42.4 Ų | 42.4 | 64% | 0.64 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -69 | -34.9 | -176.9 | -62.2 | -173.5 | 167.7 | 0 | 0 | 112.5 | Y137 S143 | Y137-E139 VanDerWaalsContact C-N 3.3Å; Y137-E139 HydrophobicContact CD1-CB 4.14Å; Y137-E139 HydrophobicContact CD1-CG 4.34Å; Y137-E139 HydrophobicContact CE1-CB 4.22Å; Y137-E139 HydrophobicContact CE1-CG 3.94Å; Y137-E139 PolarHBondContact O-N 3.5Å; E139-S143 PolarHBondContact O-OG 2.95Å |
| 140 | V | 85.6 | Confident | 82.7 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76.1 | -51.3 | 175.1 | 177 | 0 | 0 | 0 | 0 | 110.2 | H97 Y137 M142 S143 F144 F208 | H97-V140 HydrophobicContact CB-CG1 4.09Å; Y137-V140 PolarHBondContact O-N 3.12Å; Y137-V140 VanDerWaalsContact O-N 3.13Å; V140-M142 PolarHBondContact O-N 3.46Å; V140-S143 WeakPolarHBondContact O-CB 3.5Å; V140-S143 PolarHBondContact O-N 3.27Å; V140-F144 HydrophobicContact CG1-CE2 4.36Å; V140-F144 VanDerWaalsContact O-CD2 3.26Å; V140-F144 WeakPolarHBondContact O-CD2 3.36Å; V140-F208 HydrophobicContact CG1-CE1 4.09Å; V140-F208 HydrophobicContact CG1-CZ 4.24Å |
| 141 | V | 86.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -47.9 | -175.3 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | I134 Y137 S143 F144 V145 A154 P156 | I134-V141 HydrophobicContact CB-CG1 4.45Å; I134-V141 HydrophobicContact CG2-CB 4.4Å; I134-V141 HydrophobicContact CG2-CG1 4.07Å; I134-V141 HydrophobicContact CG2-CG2 4.02Å; Y137-V141 VanDerWaalsContact O-CG2 3.32Å; Y137-V141 WeakPolarHBondContact O-CG2 3.49Å; Y137-V141 PolarHBondContact O-N 3.26Å; V141-S143 PolarHBondContact O-N 2.99Å; V141-F144 PolarHBondContact O-N 2.93Å; V141-V145 WeakPolarHBondContact O-CG2 3.28Å; V141-A154 HydrophobicContact CG1-CB 3.71Å; V141-P156 HydrophobicContact CG1-CB 4.47Å |
| 142 | M | 84.1 | Confident | 82.4 | Confident | 105 Ų | 105 | 47.4 Ų | 47.4 | 52% | 0.517 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -75.1 | -12.6 | -175.5 | -61.4 | -60.2 | -112.3 | 0 | 0 | 113.3 | K138 V140 F144 V145 P156 | K138-M142 HydrophobicContact CG-CG 4.2Å; K138-M142 VanDerWaalsContact O-CB 3.28Å; K138-M142 WeakPolarHBondContact O-CB 3.38Å; K138-M142 VanDerWaalsContact O-CG 3.25Å; K138-M142 WeakPolarHBondContact O-CG 3.34Å; K138-M142 PolarHBondContact O-N 3.21Å; V140-M142 PolarHBondContact O-N 3.46Å; M142-F144 PolarHBondContact O-N 3.28Å; M142-V145 HydrophobicContact SD-CG2 4.48Å; M142-P156 HydrophobicContact CE-CG 4.45Å; M142-P156 HydrophobicContact SD-CG 4.26Å |
| 143 | S | 78.2 | Confident | 82.2 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -70.3 | -18.9 | 176.1 | -70.5 | 0 | 0 | 0 | 0 | 113.5 | E139 V140 V141 | E139-S143 PolarHBondContact O-OG 2.95Å; V140-S143 WeakPolarHBondContact O-CB 3.5Å; V140-S143 PolarHBondContact O-N 3.27Å; V141-S143 PolarHBondContact O-N 2.99Å |
| 144 | F | 79.8 | Confident | 82 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -112.6 | 13.3 | -176.8 | -60.2 | -79.9 | 0 | 0 | 0 | 114.2 | H97 V98 L101 F122 L126 I134 V140 V141 M142 P146 | H97-F144 HydrophobicContact CB-CE2 3.87Å; H97-F144 HydrophobicContact CB-CZ 3.86Å; H97-F144 WeakPolarHBondContact O-CZ 3.25Å; V98-F144 HydrophobicContact CG2-CZ 4.22Å; L101-F144 HydrophobicContact CB-CD1 4.21Å; L101-F144 HydrophobicContact CB-CE1 3.71Å; L101-F144 HydrophobicContact CB-CZ 4.15Å; L101-F144 HydrophobicContact CD1-CD1 4.04Å; L101-F144 HydrophobicContact CD1-CD2 3.88Å; L101-F144 HydrophobicContact CD1-CE1 3.81Å; L101-F144 HydrophobicContact CD1-CE2 3.66Å; L101-F144 HydrophobicContact CD1-CG 4.08Å; L101-F144 HydrophobicContact CD1-CZ 3.63Å; L101-F144 HydrophobicContact CG-CE1 4.4Å; L101-F144 HydrophobicContact CG-CZ 4.44Å; F122-F144 HydrophobicContact CE2-CD1 4.27Å; F122-F144 AromaticContact CE2-CE1 3.99Å; F122-F144 HydrophobicContact CE2-CE1 3.99Å; F122-F144 HydrophobicContact CZ-CD1 4.27Å; F122-F144 AromaticContact CZ-CE1 3.87Å; F122-F144 HydrophobicContact CZ-CE1 3.87Å; L126-F144 HydrophobicContact CD1-CB 3.74Å; L126-F144 HydrophobicContact CD1-CD1 4.31Å; L126-F144 HydrophobicContact CD1-CG 4.02Å; I134-F144 HydrophobicContact CD1-CB 4.46Å; V140-F144 HydrophobicContact CG1-CE2 4.36Å; V140-F144 VanDerWaalsContact O-CD2 3.26Å; V140-F144 WeakPolarHBondContact O-CD2 3.36Å; V141-F144 PolarHBondContact O-N 2.93Å; M142-F144 PolarHBondContact O-N 3.28Å; F144-P146 WeakPolarHBondContact O-CD 3.43Å |
| 145 | V | 74.5 | Confident | 81.8 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | trans | -105.7 | 100 | -180 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | V141 M142 A154 | V141-V145 WeakPolarHBondContact O-CG2 3.28Å; M142-V145 HydrophobicContact SD-CG2 4.48Å; V145-A154 HydrophobicContact CG2-CB 3.18Å | ||
| 146 | P | 68.4 | Low | 81.6 | Confident | 29 Ų | 29 | 56.1 Ų | 56.1 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | trans | -58.4 | 145.8 | 167.1 | -20.2 | 29 | 0 | 0 | 0 | 110.2 | F144 S148 T149 | F144-P146 WeakPolarHBondContact O-CD 3.43Å; P146-S148 PolarHBondContact O-N 2.62Å; P146-T149 HydrophobicContact CB-CG2 3.83Å; P146-T149 WeakPolarHBondContact CD-OG1 3.5Å; P146-T149 HydrophobicContact CG-CG2 3.78Å; P146-T149 PolarHBondContact O-OG1 3.47Å | ||
| 147 | P | 61 | Low | 81.4 | Confident | 124 Ų | 124 | 56.5 Ų | 56.5 | 81% | 0.805 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -20.7 | 179.2 | -24.5 | 32.6 | 0 | 0 | 0 | 114.8 | ||
| 148 | S | 60.9 | Low | 81.3 | Confident | 106 Ų | 106 | 55.4 Ų | 55.4 | 74% | 0.741 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | 14.6 | -167.3 | 64.3 | 0 | 0 | 0 | 0 | 115.5 | P146 | P146-S148 PolarHBondContact O-N 2.62Š|
| 149 | T | 71.5 | Confident | 80.9 | Confident | 31 Ų | 31 | 56 Ų | 56 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | trans | -103.5 | 117 | -177.6 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | P146 | P146-T149 HydrophobicContact CB-CG2 3.83Å; P146-T149 WeakPolarHBondContact CD-OG1 3.5Å; P146-T149 HydrophobicContact CG-CG2 3.78Å; P146-T149 PolarHBondContact O-OG1 3.47Å | ||
| 150 | N | 81.2 | Confident | 80.7 | Confident | 154 Ų | 154 | 57.5 Ų | 57.5 | 82% | 0.824 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -85 | -17.6 | 177.6 | -68.6 | -9.1 | 0 | 0 | 0 | 113.7 | ||
| 151 | H | 88.1 | Confident | 80 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 13% | 0.125 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -85.3 | -11.5 | -176.5 | 68.5 | -73.5 | 0 | 0 | 0 | 113.6 | N127 S129 F130 L131 A132 | N127-H151 PolarHBondContact O-NE2 3.48Å; S129-H151 PolarHBondContact O-CD2 2.96Å; S129-H151 VanDerWaalsContact O-CD2 3.23Å; F130-H151 WeakPolarHBondContact O-CB 3.19Å; L131-H151 CarbonylContact C-O 3.4Å; L131-H151 WeakPolarHBondContact CA-O 2.84Å; L131-H151 HydrophobicContact CD2-CB 4.09Å; A132-H151 PolarHBondContact N-O 2.88Å |
| 152 | I | 90.6 | Very high | 78.9 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 107.5 | 173.3 | -55 | 176.2 | 0 | 0 | 0 | 107.8 | L126 A132 I134 | L126-I152 HydrophobicContact CB-CD1 4.07Å; A132-I152 HydrophobicContact CB-CG1 4.27Å; A132-I152 HydrophobicContact CB-CG2 4.33Å; A132-I152 CarbonylContact O-C 3.5Å; A132-I152 WeakPolarHBondContact O-CA 3.48Å; I134-I152 HydrophobicContact CD1-CG2 3.69Å; I134-I152 HydrophobicContact CG1-CG2 4.33Å |
| 153 | K | 91.1 | Very high | 78 | Confident | 77 Ų | 77 | 59.9 Ų | 59.9 | 34% | 0.335 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 92.4 | 178.7 | -66.5 | 169.7 | -178.6 | 173.6 | 0 | 108.9 | A132 W133 I134 D189 | A132-K153 PolarHBondContact O-N 3.33Å; W133-K153 WeakPolarHBondContact CA-O 3.27Å; W133-K153 HydrophobicContact CG-CB 4.26Å; W133-K153 HydrophobicContact CZ2-CD 4.31Å; I134-K153 PolarHBondContact N-O 3.09Å; K153-D189 IonicContact NZ-OD2 3.77Å; K153-D189 PolarHBondContact NZ-OD2 3.11Å |
| 154 | A | 90 | Very high | 77.3 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 22% | 0.223 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I134 V141 V145 | I134-A154 HydrophobicContact CB-CB 4.3Å; I134-A154 WeakPolarHBondContact O-CA 3.31Å; V141-A154 HydrophobicContact CG1-CB 3.71Å; V145-A154 HydrophobicContact CG2-CB 3.18Å |
| 155 | T | 90.7 | Very high | 76.3 | Confident | 58 Ų | 58 | 62 Ų | 62 | 36% | 0.356 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 100.1 | -179.1 | -49.4 | 0 | 0 | 0 | 0 | 109.1 | I134 W175 | I134-T155 PolarHBondContact O-N 3.4Å; T155-W175 HydrophobicContact CG2-CH2 4.17Å; T155-W175 HydrophobicContact CG2-CZ2 4.46Å |
| 156 | P | 90 | Very high | 75.9 | Confident | 35 Ų | 35 | 66.3 Ų | 66.3 | 23% | 0.227 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 153.1 | 177.6 | 31 | -35.4 | 0 | 0 | 0 | 111 | K138 V141 M142 | K138-P156 HydrophobicContact CB-CB 3.99Å; K138-P156 HydrophobicContact CG-CB 4.02Å; V141-P156 HydrophobicContact CG1-CB 4.47Å; M142-P156 HydrophobicContact CE-CG 4.45Å; M142-P156 HydrophobicContact SD-CG 4.26Å |
| 157 | C | 87.1 | Confident | 75.9 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 5% | 0.054 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 134.4 | 173.3 | -170.8 | 0 | 0 | 0 | 0 | 110.8 | G136 L161 I172 W175 | G136-C157 PolarHBondContact O-N 2.97Å; C157-L161 VanDerWaalsContact SG-CB 3.55Å; C157-I172 HydrophobicContact CB-CD1 4.24Å; C157-I172 HydrophobicContact CB-CG1 4.41Å; C157-W175 HydrophobicContact CB-CE3 4.24Å; C157-W175 HydrophobicContact CB-CZ3 4.03Å |
| 158 | P | 85.3 | Confident | 76.8 | Confident | 53 Ų | 53 | 67.6 Ų | 67.6 | 34% | 0.344 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 139.3 | 172.6 | -26.9 | 32.4 | 0 | 0 | 0 | 112.9 | E160 L161 S162 W175 | P158-E160 PolarHBondContact O-N 2.88Å; P158-E160 VanDerWaalsContact O-N 3.16Å; P158-L161 HydrophobicContact CB-CD1 4.36Å; P158-L161 HydrophobicContact CG-CD1 4.02Å; P158-L161 WeakPolarHBondContact O-CB 3.31Å; P158-L161 PolarHBondContact O-N 3.42Å; P158-S162 PolarHBondContact O-N 3.31Å; P158-W175 VanDerWaalsContact CD-CZ2 3.48Å; P158-W175 HydrophobicContact CG-CZ2 4.26Å |
| 159 | D | 76.3 | Confident | 77.7 | Confident | 105 Ų | 105 | 63.1 Ų | 63.1 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.3 | -31.1 | -178.6 | -62.1 | -31.4 | 0 | 0 | 0 | 111.6 | K138 L161 S162 D163 | K138-D159 IonicContact NZ-OD1 2.81Å; K138-D159 PolarHBondContact NZ-OD1 3.43Å; K138-D159 IonicContact NZ-OD2 3.51Å; K138-D159 PolarHBondContact NZ-OD2 2.66Å; D159-L161 VanDerWaalsContact C-N 3.35Å; D159-L161 PolarHBondContact O-N 3.46Å; D159-S162 WeakPolarHBondContact O-CB 3.44Å; D159-S162 PolarHBondContact O-N 2.88Å; D159-D163 PolarHBondContact O-N 3.49Å |
| 160 | E | 73.6 | Confident | 78.4 | Confident | 168 Ų | 168 | 62 Ų | 62 | 79% | 0.785 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.1 | -37 | 175.4 | -65.1 | 170.8 | 178.4 | 0 | 0 | 113.2 | P158 S162 D163 L164 | P158-E160 PolarHBondContact O-N 2.88Å; P158-E160 VanDerWaalsContact O-N 3.16Å; E160-S162 VanDerWaalsContact C-N 3.34Å; E160-D163 PolarHBondContact O-N 3.15Å; E160-L164 PolarHBondContact O-N 3.3Å; E160-L164 VanDerWaalsContact O-N 3.12Å |
| 161 | L | 72.1 | Confident | 78.7 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.6 | -29.9 | 176.6 | -82.3 | 165.1 | 0 | 0 | 0 | 111.4 | C157 P158 D159 D163 L164 A165 E171 W175 | C157-L161 VanDerWaalsContact SG-CB 3.55Å; P158-L161 HydrophobicContact CB-CD1 4.36Å; P158-L161 HydrophobicContact CG-CD1 4.02Å; P158-L161 WeakPolarHBondContact O-CB 3.31Å; P158-L161 PolarHBondContact O-N 3.42Å; D159-L161 VanDerWaalsContact C-N 3.35Å; D159-L161 PolarHBondContact O-N 3.46Å; L161-D163 VanDerWaalsContact C-N 3.28Å; L161-D163 PolarHBondContact O-N 3.22Å; L161-L164 HydrophobicContact CD2-CD2 4.44Å; L161-L164 PolarHBondContact O-N 3.22Å; L161-A165 WeakPolarHBondContact O-CB 3.38Å; L161-A165 PolarHBondContact O-N 3.33Å; L161-E171 HydrophobicContact CD2-CG 4.12Å; L161-W175 HydrophobicContact CD1-CB 4.2Å; L161-W175 HydrophobicContact CD1-CD2 4.19Å; L161-W175 HydrophobicContact CD1-CG 3.65Å |
| 162 | S | 63.6 | Low | 78.6 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 173.1 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | P158 D159 E160 | P158-S162 PolarHBondContact O-N 3.31Å; D159-S162 WeakPolarHBondContact O-CB 3.44Å; D159-S162 PolarHBondContact O-N 2.88Å; E160-S162 VanDerWaalsContact C-N 3.34Å |
| 163 | D | 65.2 | Low | 78.8 | Confident | 99 Ų | 99 | 56.1 Ų | 56.1 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72.5 | -41.5 | 174.3 | -82 | -27.8 | 0 | 0 | 0 | 112.6 | D159 E160 L161 A165 K166 | D159-D163 PolarHBondContact O-N 3.49Å; E160-D163 PolarHBondContact O-N 3.15Å; L161-D163 VanDerWaalsContact C-N 3.28Å; L161-D163 PolarHBondContact O-N 3.22Å; D163-A165 VanDerWaalsContact C-N 3.35Å; D163-K166 VanDerWaalsContact O-CB 3.3Å; D163-K166 WeakPolarHBondContact O-CB 3.32Å; D163-K166 PolarHBondContact O-N 2.95Å; D163-K166 IonicContact OD1-NZ 3.7Å; D163-K166 PolarHBondContact OD1-NZ 3.35Å |
| 164 | L | 61.8 | Low | 78.9 | Confident | 78 Ų | 78 | 56.9 Ų | 56.9 | 41% | 0.408 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.8 | -35.2 | 177.3 | -171.6 | 63.3 | 0 | 0 | 0 | 112.3 | E160 L161 K166 T167 N168 E171 | E160-L164 PolarHBondContact O-N 3.3Å; E160-L164 VanDerWaalsContact O-N 3.12Å; L161-L164 HydrophobicContact CD2-CD2 4.44Å; L161-L164 PolarHBondContact O-N 3.22Å; L164-K166 PolarHBondContact O-N 3.17Å; L164-K166 VanDerWaalsContact O-N 3.1Å; L164-T167 WeakPolarHBondContact O-CA 3.47Å; L164-T167 PolarHBondContact O-N 3.04Å; L164-T167 PolarHBondContact O-OG1 3.42Å; L164-N168 PolarHBondContact O-N 2.97Å; L164-N168 VanDerWaalsContact O-N 3.14Å; L164-E171 VanDerWaalsContact CD2-CD 3.48Å; L164-E171 WeakPolarHBondContact CD2-OE1 3.33Å; L164-E171 WeakPolarHBondContact CD2-OE2 3.23Å; L164-E171 WeakPolarHBondContact CG-OE2 3.3Å |
| 165 | A | 60.3 | Low | 79 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.5 | -21 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L161 D163 T167 N168 P169 M216 | L161-A165 WeakPolarHBondContact O-CB 3.38Å; L161-A165 PolarHBondContact O-N 3.33Å; D163-A165 VanDerWaalsContact C-N 3.35Å; A165-T167 PolarHBondContact O-N 3.38Å; A165-N168 CarbonylContact O-C 3.57Å; A165-P169 VanDerWaalsContact O-CA 3.26Å; A165-P169 WeakPolarHBondContact O-CA 3.02Å; A165-P169 VanDerWaalsContact O-CD 3.31Å; A165-P169 WeakPolarHBondContact O-CD 3.48Å; A165-P169 VanDerWaalsContact O-CG 3.23Å; A165-P169 WeakPolarHBondContact O-CG 3.38Å; A165-P169 VanDerWaalsContact O-N 3.12Å; A165-M216 HydrophobicContact CB-CE 3.71Å; A165-M216 HydrophobicContact CB-SD 3.86Å |
| 166 | K | 64.4 | Low | 79.3 | Confident | 143 Ų | 143 | 54.5 Ų | 54.5 | 62% | 0.622 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.7 | 170 | -63.6 | 170.8 | -178.9 | 158.8 | 0 | 112.9 | D163 L164 | D163-K166 VanDerWaalsContact O-CB 3.3Å; D163-K166 WeakPolarHBondContact O-CB 3.32Å; D163-K166 PolarHBondContact O-N 2.95Å; D163-K166 IonicContact OD1-NZ 3.7Å; D163-K166 PolarHBondContact OD1-NZ 3.35Å; L164-K166 PolarHBondContact O-N 3.17Å; L164-K166 VanDerWaalsContact O-N 3.1Å |
| 167 | T | 69.7 | Low | 79.6 | Confident | 113 Ų | 113 | 52.8 Ų | 52.8 | 69% | 0.693 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -37.4 | 177.2 | 64.9 | 0 | 0 | 0 | 0 | 112.7 | L164 A165 | L164-T167 WeakPolarHBondContact O-CA 3.47Å; L164-T167 PolarHBondContact O-N 3.04Å; L164-T167 PolarHBondContact O-OG1 3.42Å; A165-T167 PolarHBondContact O-N 3.38Å |
| 168 | N | 80.3 | Confident | 80 | Confident | 67 Ų | 67 | 56.8 Ų | 56.8 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | trans | -137.2 | 85.6 | 176.7 | -168.7 | -5.2 | 0 | 0 | 0 | 111.3 | L164 A165 T170 E171 | L164-N168 PolarHBondContact O-N 2.97Å; L164-N168 VanDerWaalsContact O-N 3.14Å; A165-N168 CarbonylContact O-C 3.57Å; N168-T170 PolarHBondContact O-N 3.49Å; N168-T170 VanDerWaalsContact O-N 3.11Å; N168-T170 PolarHBondContact OD1-OG1 3.44Å; N168-E171 WeakPolarHBondContact O-CB 3.3Å; N168-E171 PolarHBondContact O-N 3.34Å; N168-E171 VanDerWaalsContact O-N 3.12Å | ||
| 169 | P | 78.2 | Confident | 80.5 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 8% | 0.078 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.7 | -173.3 | -28.8 | 36.6 | 0 | 0 | 0 | 114.5 | A165 E171 I172 A213 M216 V217 | A165-P169 VanDerWaalsContact O-CA 3.26Å; A165-P169 WeakPolarHBondContact O-CA 3.02Å; A165-P169 VanDerWaalsContact O-CD 3.31Å; A165-P169 WeakPolarHBondContact O-CD 3.48Å; A165-P169 VanDerWaalsContact O-CG 3.23Å; A165-P169 WeakPolarHBondContact O-CG 3.38Å; A165-P169 VanDerWaalsContact O-N 3.12Å; P169-E171 PolarHBondContact O-N 3.3Å; P169-E171 VanDerWaalsContact O-N 3.12Å; P169-I172 VanDerWaalsContact O-CG2 3.29Å; P169-I172 WeakPolarHBondContact O-CG2 3.17Å; P169-I172 PolarHBondContact O-N 2.82Å; P169-A213 HydrophobicContact CB-CB 4.44Å; P169-A213 WeakPolarHBondContact O-CB 3.29Å; P169-M216 HydrophobicContact CB-CB 4Å; P169-M216 HydrophobicContact CB-SD 4.45Å; P169-M216 HydrophobicContact CG-CB 4.42Å; P169-V217 HydrophobicContact CB-CG2 3.53Å; P169-V217 HydrophobicContact CG-CG2 3.53Å |
| 170 | T | 86.9 | Confident | 81.5 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.2 | -13.8 | -179.7 | 62.1 | 0 | 0 | 0 | 0 | 114.4 | N168 I172 D173 R174 A213 V231 N234 | N168-T170 PolarHBondContact O-N 3.49Å; N168-T170 VanDerWaalsContact O-N 3.11Å; N168-T170 PolarHBondContact OD1-OG1 3.44Å; T170-I172 VanDerWaalsContact C-N 3.32Å; T170-I172 PolarHBondContact O-N 3.48Å; T170-D173 PolarHBondContact O-N 2.89Å; T170-R174 WeakPolarHBondContact O-CG 3.4Å; T170-R174 PolarHBondContact O-N 2.97Å; T170-R174 PolarHBondContact OG1-NH1 3.34Å; T170-R174 PolarHBondContact OG1-NH2 2.83Å; T170-A213 HydrophobicContact CG2-CB 4.43Å; T170-V231 HydrophobicContact CG2-CG2 4.08Å; T170-N234 HydrophobicContact CG2-CB 4.04Å |
| 171 | E | 87.1 | Confident | 82.6 | Confident | 62 Ų | 62 | 45.8 Ų | 45.8 | 29% | 0.29 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.1 | -30.8 | -179.2 | -168.2 | 167.7 | -179.4 | 0 | 0 | 112.7 | L161 L164 N168 P169 R174 W175 | L161-E171 HydrophobicContact CD2-CG 4.12Å; L164-E171 VanDerWaalsContact CD2-CD 3.48Å; L164-E171 WeakPolarHBondContact CD2-OE1 3.33Å; L164-E171 WeakPolarHBondContact CD2-OE2 3.23Å; L164-E171 WeakPolarHBondContact CG-OE2 3.3Å; N168-E171 WeakPolarHBondContact O-CB 3.3Å; N168-E171 PolarHBondContact O-N 3.34Å; N168-E171 VanDerWaalsContact O-N 3.12Å; P169-E171 PolarHBondContact O-N 3.3Å; P169-E171 VanDerWaalsContact O-N 3.12Å; E171-R174 PolarHBondContact O-N 3.27Å; E171-W175 WeakPolarHBondContact O-CB 3.23Å; E171-W175 PolarHBondContact O-N 3.28Å |
| 172 | I | 87.1 | Confident | 83.7 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 177.5 | -161.8 | 163.4 | 0 | 0 | 0 | 111.5 | Y137 C157 P169 T170 R174 W175 V176 D212 | Y137-I172 HydrophobicContact CD2-CD1 4.31Å; C157-I172 HydrophobicContact CB-CD1 4.24Å; C157-I172 HydrophobicContact CB-CG1 4.41Å; P169-I172 VanDerWaalsContact O-CG2 3.29Å; P169-I172 WeakPolarHBondContact O-CG2 3.17Å; P169-I172 PolarHBondContact O-N 2.82Å; T170-I172 VanDerWaalsContact C-N 3.32Å; T170-I172 PolarHBondContact O-N 3.48Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 2.81Å; I172-W175 WeakPolarHBondContact O-CB 3.25Å; I172-W175 PolarHBondContact O-N 3.2Å; I172-V176 WeakPolarHBondContact O-CG2 3.48Å; I172-V176 PolarHBondContact O-N 3.49Å; I172-D212 HydrophobicContact CD1-CB 4.16Å; I172-D212 HydrophobicContact CG2-CB 3.87Å |
| 173 | D | 93.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | 176.8 | -67 | 5 | 0 | 0 | 0 | 111.2 | T170 W175 V176 V177 L211 D212 A213 V238 | T170-D173 PolarHBondContact O-N 2.89Å; D173-W175 VanDerWaalsContact C-N 3.35Å; D173-V176 PolarHBondContact O-N 3.45Å; D173-V177 VanDerWaalsContact O-CG2 3.27Å; D173-V177 WeakPolarHBondContact O-CG2 3.41Å; D173-V177 PolarHBondContact O-N 3.38Å; D173-L211 HydrophobicContact CB-CD2 4.04Å; D173-L211 WeakPolarHBondContact OD1-CA 3.5Å; D173-L211 WeakPolarHBondContact OD1-CB 3.17Å; D173-D212 PolarHBondContact OD1-N 3.37Å; D173-A213 PolarHBondContact OD1-N 3.25Å; D173-A213 VanDerWaalsContact OD1-N 3.12Å; D173-A213 WeakPolarHBondContact OD2-CB 3.25Å; D173-V238 HydrophobicContact CB-CG2 4.47Å |
| 174 | R | 92.9 | Very high | 86.6 | Confident | 92 Ų | 92 | 43.6 Ų | 43.6 | 35% | 0.347 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.4 | -39.6 | 176.3 | -68.5 | -178 | -162.9 | 129.7 | 8.6 | 111.6 | T170 E171 I172 V177 N178 N234 | T170-R174 WeakPolarHBondContact O-CG 3.4Å; T170-R174 PolarHBondContact O-N 2.97Å; T170-R174 PolarHBondContact OG1-NH1 3.34Å; T170-R174 PolarHBondContact OG1-NH2 2.83Å; E171-R174 PolarHBondContact O-N 3.27Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 2.81Å; R174-V177 PolarHBondContact O-N 2.67Å; R174-N178 WeakPolarHBondContact O-CB 3.4Å; R174-N178 PolarHBondContact O-N 3.02Å; R174-N178 PolarHBondContact O-ND2 2.97Å; R174-N234 PolarHBondContact NE-OD1 2.68Å; R174-N234 PolarHBondContact NH2-OD1 2.84Å |
| 175 | W | 93.5 | Very high | 88 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 175.4 | 177.4 | 87.2 | 0 | 0 | 0 | 110.9 | W135 T155 C157 P158 L161 E171 I172 D173 V177 N178 Q179 | W135-W175 HydrophobicContact CB-CZ3 4.33Å; T155-W175 HydrophobicContact CG2-CH2 4.17Å; T155-W175 HydrophobicContact CG2-CZ2 4.46Å; C157-W175 HydrophobicContact CB-CE3 4.24Å; C157-W175 HydrophobicContact CB-CZ3 4.03Å; P158-W175 VanDerWaalsContact CD-CZ2 3.48Å; P158-W175 HydrophobicContact CG-CZ2 4.26Å; L161-W175 HydrophobicContact CD1-CB 4.2Å; L161-W175 HydrophobicContact CD1-CD2 4.19Å; L161-W175 HydrophobicContact CD1-CG 3.65Å; E171-W175 WeakPolarHBondContact O-CB 3.23Å; E171-W175 PolarHBondContact O-N 3.28Å; I172-W175 WeakPolarHBondContact O-CB 3.25Å; I172-W175 PolarHBondContact O-N 3.2Å; D173-W175 VanDerWaalsContact C-N 3.35Å; W175-V177 VanDerWaalsContact C-N 3.28Å; W175-V177 PolarHBondContact O-N 3.04Å; W175-N178 PolarHBondContact O-N 2.97Å; W175-N178 VanDerWaalsContact O-N 3.16Å; W175-Q179 HydrophobicContact CD2-CG 3.95Å; W175-Q179 HydrophobicContact CE3-CG 4.24Å; W175-Q179 HydrophobicContact CH2-CG 3.9Å; W175-Q179 HydrophobicContact CZ2-CG 3.58Å; W175-Q179 HydrophobicContact CZ3-CG 4.21Å; W175-Q179 WeakPolarHBondContact O-CG 3.39Å; W175-Q179 PolarHBondContact O-N 2.9Å |
| 176 | V | 95.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.6 | -46.4 | 176.8 | 167.5 | 0 | 0 | 0 | 0 | 111.1 | W135 I172 D173 Q179 F180 L209 L211 | W135-V176 HydrophobicContact CB-CG1 4.03Å; W135-V176 HydrophobicContact CB-CG2 4.3Å; I172-V176 WeakPolarHBondContact O-CG2 3.48Å; I172-V176 PolarHBondContact O-N 3.49Å; D173-V176 PolarHBondContact O-N 3.45Å; V176-Q179 PolarHBondContact O-N 3.35Å; V176-F180 PolarHBondContact O-N 3.16Å; V176-L209 HydrophobicContact CG1-CB 3.9Å; V176-L209 HydrophobicContact CG1-CD2 3.94Å; V176-L209 HydrophobicContact CG1-CG 4.41Å; V176-L211 HydrophobicContact CB-CD2 4.12Å; V176-L211 HydrophobicContact CG1-CD2 3.86Å |
| 177 | V | 96.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.5 | -39.2 | -179.9 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | D173 R174 W175 Q179 F180 L181 V238 Q241 V242 | D173-V177 VanDerWaalsContact O-CG2 3.27Å; D173-V177 WeakPolarHBondContact O-CG2 3.41Å; D173-V177 PolarHBondContact O-N 3.38Å; R174-V177 PolarHBondContact O-N 2.67Å; W175-V177 VanDerWaalsContact C-N 3.28Å; W175-V177 PolarHBondContact O-N 3.04Å; V177-Q179 VanDerWaalsContact C-N 3.33Å; V177-Q179 PolarHBondContact O-N 3.05Å; V177-F180 CarbonylContact O-C 3.54Å; V177-F180 WeakPolarHBondContact O-CB 2.89Å; V177-F180 PolarHBondContact O-N 3.42Å; V177-L181 HydrophobicContact CG1-CD1 4Å; V177-L181 HydrophobicContact CG1-CG 4.12Å; V177-L181 WeakPolarHBondContact O-CB 3.44Å; V177-L181 VanDerWaalsContact O-CG 3.25Å; V177-L181 WeakPolarHBondContact O-CG 3.37Å; V177-L181 PolarHBondContact O-N 3.49Å; V177-V238 HydrophobicContact CG2-CB 4Å; V177-V238 HydrophobicContact CG2-CG1 3.27Å; V177-V238 HydrophobicContact CG2-CG2 3.89Å; V177-Q241 HydrophobicContact CG1-CB 4.25Å; V177-V242 HydrophobicContact CG1-CG2 4.32Å; V177-V242 HydrophobicContact CG2-CG2 4.29Å |
| 178 | N | 96.4 | Very high | 90.3 | Very high | 91 Ų | 91 | 41.6 Ų | 41.6 | 49% | 0.487 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 175.4 | -74 | -22.7 | 0 | 0 | 0 | 111.8 | R174 W175 F180 L181 D182 | R174-N178 WeakPolarHBondContact O-CB 3.4Å; R174-N178 PolarHBondContact O-N 3.02Å; R174-N178 PolarHBondContact O-ND2 2.97Å; W175-N178 PolarHBondContact O-N 2.97Å; W175-N178 VanDerWaalsContact O-N 3.16Å; N178-F180 VanDerWaalsContact C-N 3.33Å; N178-L181 PolarHBondContact O-N 3.46Å; N178-D182 VanDerWaalsContact O-CB 3.28Å; N178-D182 WeakPolarHBondContact O-CB 3.36Å; N178-D182 PolarHBondContact O-N 3.28Å |
| 179 | Q | 95.7 | Very high | 90.2 | Very high | 60 Ų | 60 | 41.2 Ų | 41.2 | 28% | 0.28 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62 | -42.2 | 173.3 | -66 | -59.6 | -63.7 | 0 | 0 | 111.7 | W135 W175 V176 V177 L183 | W135-Q179 HydrophobicContact CD2-CB 4.28Å; W135-Q179 HydrophobicContact CG-CB 4.07Å; W135-Q179 HydrophobicContact CZ2-CB 4.47Å; W175-Q179 HydrophobicContact CD2-CG 3.95Å; W175-Q179 HydrophobicContact CE3-CG 4.24Å; W175-Q179 HydrophobicContact CH2-CG 3.9Å; W175-Q179 HydrophobicContact CZ2-CG 3.58Å; W175-Q179 HydrophobicContact CZ3-CG 4.21Å; W175-Q179 WeakPolarHBondContact O-CG 3.39Å; W175-Q179 PolarHBondContact O-N 2.9Å; V176-Q179 PolarHBondContact O-N 3.35Å; V177-Q179 VanDerWaalsContact C-N 3.33Å; V177-Q179 PolarHBondContact O-N 3.05Å; Q179-L183 PolarHBondContact O-N 3.4Å |
| 180 | F | 96.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 174.3 | 159.9 | -93.7 | 0 | 0 | 0 | 111.9 | W135 V176 V177 N178 D182 L183 I184 I207 L209 V242 K245 L246 | W135-F180 HydrophobicContact CH2-CB 4.48Å; W135-F180 HydrophobicContact CZ3-CB 4.22Å; V176-F180 PolarHBondContact O-N 3.16Å; V177-F180 CarbonylContact O-C 3.54Å; V177-F180 WeakPolarHBondContact O-CB 2.89Å; V177-F180 PolarHBondContact O-N 3.42Å; N178-F180 VanDerWaalsContact C-N 3.33Å; F180-D182 VanDerWaalsContact C-N 3.32Å; F180-D182 PolarHBondContact O-N 3.38Å; F180-L183 WeakPolarHBondContact O-CB 3.26Å; F180-L183 PolarHBondContact O-N 2.92Å; F180-I184 HydrophobicContact CD2-CG1 4.04Å; F180-I184 HydrophobicContact CE1-CG1 4.2Å; F180-I184 HydrophobicContact CE2-CD1 3.86Å; F180-I184 HydrophobicContact CE2-CG1 3.39Å; F180-I184 HydrophobicContact CZ-CD1 4.29Å; F180-I184 HydrophobicContact CZ-CG1 3.48Å; F180-I184 VanDerWaalsContact CZ-CG1 3.48Å; F180-I184 WeakPolarHBondContact O-CG1 3.44Å; F180-I184 PolarHBondContact O-N 2.89Å; F180-I207 HydrophobicContact CD2-CD1 3.75Å; F180-I207 HydrophobicContact CD2-CG2 4.22Å; F180-I207 HydrophobicContact CE2-CD1 3.51Å; F180-L209 HydrophobicContact CB-CD2 4.01Å; F180-L209 HydrophobicContact CG-CD1 4.44Å; F180-L209 HydrophobicContact CG-CD2 4.47Å; F180-V242 HydrophobicContact CD1-CB 4.47Å; F180-V242 HydrophobicContact CD1-CG1 4.45Å; F180-V242 HydrophobicContact CD1-CG2 3.87Å; F180-V242 HydrophobicContact CE1-CB 4.08Å; F180-V242 HydrophobicContact CE1-CG1 3.95Å; F180-V242 HydrophobicContact CE1-CG2 3.98Å; F180-V242 HydrophobicContact CE2-CG1 4.48Å; F180-V242 HydrophobicContact CZ-CG1 3.96Å; F180-K245 HydrophobicContact CE1-CB 4.31Å; F180-L246 HydrophobicContact CE2-CD1 4.29Å; F180-L246 HydrophobicContact CE2-CD2 4.2Å; F180-L246 HydrophobicContact CE2-CG 4.34Å; F180-L246 HydrophobicContact CZ-CD1 3.96Å; F180-L246 HydrophobicContact CZ-CD2 3.93Å; F180-L246 HydrophobicContact CZ-CG 3.73Å |
| 181 | L | 97.2 | Very high | 90.8 | Very high | 35 Ų | 35 | 42 Ų | 42 | 18% | 0.183 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 179.4 | -69.1 | 175.6 | 0 | 0 | 0 | 111 | V177 N178 I184 D185 K245 | V177-L181 HydrophobicContact CG1-CD1 4Å; V177-L181 HydrophobicContact CG1-CG 4.12Å; V177-L181 WeakPolarHBondContact O-CB 3.44Å; V177-L181 VanDerWaalsContact O-CG 3.25Å; V177-L181 WeakPolarHBondContact O-CG 3.37Å; V177-L181 PolarHBondContact O-N 3.49Å; N178-L181 PolarHBondContact O-N 3.46Å; L181-I184 PolarHBondContact O-N 3.37Å; L181-D185 PolarHBondContact O-N 2.88Å; L181-K245 HydrophobicContact CD2-CB 3.66Å; L181-K245 HydrophobicContact CD2-CD 3.98Å; L181-K245 HydrophobicContact CD2-CG 3.6Å |
| 182 | D | 95.6 | Very high | 90.7 | Very high | 82 Ų | 82 | 43.5 Ų | 43.5 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 175.7 | -175.3 | 66 | 0 | 0 | 0 | 111.9 | N178 F180 I184 D185 H186 | N178-D182 VanDerWaalsContact O-CB 3.28Å; N178-D182 WeakPolarHBondContact O-CB 3.36Å; N178-D182 PolarHBondContact O-N 3.28Å; F180-D182 VanDerWaalsContact C-N 3.32Å; F180-D182 PolarHBondContact O-N 3.38Å; D182-I184 PolarHBondContact O-N 3Å; D182-D185 PolarHBondContact O-N 3.49Å; D182-H186 PolarHBondContact O-N 3.41Å; D182-H186 VanDerWaalsContact O-N 3.07Å; D182-H186 PolarHBondContact O-ND1 3.01Å; D182-H186 IonicContact OD1-CE1 3.13Å; D182-H186 PolarHBondContact OD1-CE1 3.41Å; D182-H186 IonicContact OD1-ND1 3.11Å; D182-H186 PolarHBondContact OD1-ND1 3.08Å; D182-H186 IonicContact OD2-ND1 3.1Å |
| 183 | L | 94.4 | Very high | 90.6 | Very high | 26 Ų | 26 | 49.5 Ų | 49.5 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.2 | -52.3 | 172.5 | 176.9 | 74.3 | 0 | 0 | 0 | 110.4 | W133 W135 Q179 F180 D185 H186 S187 F190 | W133-L183 HydrophobicContact CB-CD2 4.36Å; W133-L183 HydrophobicContact CD2-CD2 3.7Å; W133-L183 HydrophobicContact CE3-CD2 4.41Å; W133-L183 HydrophobicContact CG-CD2 3.67Å; W133-L183 HydrophobicContact CZ2-CD1 4.36Å; W133-L183 HydrophobicContact CZ2-CD2 4.27Å; W133-L183 VanDerWaalsContact NE1-CD1 3.29Å; W135-L183 HydrophobicContact CH2-CB 4Å; W135-L183 HydrophobicContact CH2-CD2 3.57Å; W135-L183 HydrophobicContact CH2-CG 4.34Å; W135-L183 HydrophobicContact CZ2-CB 4.15Å; W135-L183 HydrophobicContact CZ2-CD2 4.26Å; Q179-L183 PolarHBondContact O-N 3.4Å; F180-L183 WeakPolarHBondContact O-CB 3.26Å; F180-L183 PolarHBondContact O-N 2.92Å; L183-D185 PolarHBondContact O-N 3.41Å; L183-H186 PolarHBondContact O-N 3.13Å; L183-S187 WeakPolarHBondContact O-CA 3.32Å; L183-S187 WeakPolarHBondContact O-CB 3.25Å; L183-S187 PolarHBondContact O-N 2.85Å; L183-S187 PolarHBondContact O-OG 3.24Å; L183-F190 HydrophobicContact CD2-CD2 4.4Å |
| 184 | I | 94.1 | Very high | 90.3 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67 | -26.1 | -174.3 | -62.8 | -55.1 | 0 | 0 | 0 | 112.4 | F180 L181 D182 F190 K245 L246 K249 | F180-I184 HydrophobicContact CD2-CG1 4.04Å; F180-I184 HydrophobicContact CE1-CG1 4.2Å; F180-I184 HydrophobicContact CE2-CD1 3.86Å; F180-I184 HydrophobicContact CE2-CG1 3.39Å; F180-I184 HydrophobicContact CZ-CD1 4.29Å; F180-I184 HydrophobicContact CZ-CG1 3.48Å; F180-I184 VanDerWaalsContact CZ-CG1 3.48Å; F180-I184 WeakPolarHBondContact O-CG1 3.44Å; F180-I184 PolarHBondContact O-N 2.89Å; L181-I184 PolarHBondContact O-N 3.37Å; D182-I184 PolarHBondContact O-N 3Å; I184-F190 HydrophobicContact CD1-CD1 3.52Å; I184-F190 HydrophobicContact CD1-CD2 3.85Å; I184-F190 HydrophobicContact CD1-CE1 3.5Å; I184-F190 HydrophobicContact CD1-CE2 3.86Å; I184-F190 HydrophobicContact CD1-CG 3.69Å; I184-F190 HydrophobicContact CD1-CZ 3.67Å; I184-K245 HydrophobicContact CB-CG 4.29Å; I184-K245 HydrophobicContact CG2-CG 3.84Å; I184-L246 HydrophobicContact CD1-CD2 3.98Å; I184-L246 HydrophobicContact CG1-CD2 4.28Å; I184-K249 HydrophobicContact CG2-CB 4.15Å; I184-K249 HydrophobicContact CG2-CD 4.45Å; I184-K249 HydrophobicContact CG2-CG 3.76Å |
| 185 | D | 92.4 | Very high | 89.9 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 40% | 0.401 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -78.9 | -31 | 174.9 | -82.8 | -34.6 | 0 | 0 | 0 | 114 | L181 D182 L183 K245 K249 | L181-D185 PolarHBondContact O-N 2.88Å; D182-D185 PolarHBondContact O-N 3.49Å; L183-D185 PolarHBondContact O-N 3.41Å; D185-K245 VanDerWaalsContact CG-CE 3.5Å; D185-K245 WeakPolarHBondContact OD1-CE 3.33Å; D185-K245 IonicContact OD1-NZ 2.78Å; D185-K245 PolarHBondContact OD1-NZ 3.1Å; D185-K245 WeakPolarHBondContact OD2-CE 3.33Å; D185-K245 IonicContact OD2-NZ 3.19Å; D185-K245 PolarHBondContact OD2-NZ 2.91Å; D185-K249 WeakPolarHBondContact OD1-CE 3.49Å; D185-K249 IonicContact OD1-NZ 3.53Å; D185-K249 PolarHBondContact OD1-NZ 3.5Å |
| 186 | H | 88.6 | Confident | 89.6 | Confident | 144 Ų | 144 | 51.8 Ų | 51.8 | 67% | 0.667 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -110.8 | -11.3 | -173.2 | -58.8 | 108.3 | 0 | 0 | 0 | 115.1 | D182 L183 | D182-H186 PolarHBondContact O-N 3.41Å; D182-H186 VanDerWaalsContact O-N 3.07Å; D182-H186 PolarHBondContact O-ND1 3.01Å; D182-H186 IonicContact OD1-CE1 3.13Å; D182-H186 PolarHBondContact OD1-CE1 3.41Å; D182-H186 IonicContact OD1-ND1 3.11Å; D182-H186 PolarHBondContact OD1-ND1 3.08Å; D182-H186 IonicContact OD2-ND1 3.1Å; L183-H186 PolarHBondContact O-N 3.13Å |
| 187 | S | 80.1 | Confident | 89.2 | Confident | 25 Ų | 25 | 55.5 Ų | 55.5 | 18% | 0.175 | 31% | 0.308 | C | S | . | . | trans | -84 | 123.7 | -179.4 | 59.2 | 0 | 0 | 0 | 0 | 112.7 | L183 D189 F190 | L183-S187 WeakPolarHBondContact O-CA 3.32Å; L183-S187 WeakPolarHBondContact O-CB 3.25Å; L183-S187 PolarHBondContact O-N 2.85Å; L183-S187 PolarHBondContact O-OG 3.24Å; S187-D189 WeakPolarHBondContact CB-OD1 3.26Å; S187-F190 WeakPolarHBondContact OG-CB 3.18Å | ||
| 188 | G | 73.7 | Confident | 88.8 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 52% | 0.515 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -79.9 | -34.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F190 D192 | G188-F190 VanDerWaalsContact C-N 3.29Å; G188-F190 PolarHBondContact O-N 3.15Å; G188-D192 VanDerWaalsContact O-OD2 3.05Å |
| 189 | D | 78.7 | Confident | 88.3 | Confident | 58 Ų | 58 | 58.2 Ų | 58.2 | 31% | 0.31 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -11.8 | -170.7 | 62.1 | -14.3 | 0 | 0 | 0 | 115.1 | K153 S187 R205 | K153-D189 IonicContact NZ-OD2 3.77Å; K153-D189 PolarHBondContact NZ-OD2 3.11Å; S187-D189 WeakPolarHBondContact CB-OD1 3.26Å; D189-R205 PolarHBondContact O-NE 3.24Å; D189-R205 VanDerWaalsContact O-NE 3.1Å; D189-R205 PolarHBondContact O-NH2 2.89Å |
| 190 | F | 88.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -45.6 | -175.2 | -170.8 | -96.9 | 0 | 0 | 0 | 112.3 | H47 W133 L183 I184 S187 G188 R205 I207 L246 | H47-F190 AromaticContact CD2-CE1 3.64Å; H47-F190 AromaticContact CD2-CE2 3.82Å; H47-F190 AromaticContact CD2-CZ 3.36Å; H47-F190 WeakPolarHBondContact CD2-CZ 3.41Å; H47-F190 AromaticContact NE2-CD1 3.92Å; H47-F190 AromaticContact NE2-CE1 3.66Å; H47-F190 AromaticContact NE2-CZ 3.83Å; H47-F190 PolarHBondContact NE2-O 3.45Å; W133-F190 HydrophobicContact CE3-CD2 4.46Å; W133-F190 HydrophobicContact CH2-CD2 4.03Å; W133-F190 AromaticContact CZ3-CD2 3.92Å; W133-F190 HydrophobicContact CZ3-CD2 3.92Å; W133-F190 HydrophobicContact CZ3-CE2 4.27Å; L183-F190 HydrophobicContact CD2-CD2 4.4Å; I184-F190 HydrophobicContact CD1-CD1 3.52Å; I184-F190 HydrophobicContact CD1-CD2 3.85Å; I184-F190 HydrophobicContact CD1-CE1 3.5Å; I184-F190 HydrophobicContact CD1-CE2 3.86Å; I184-F190 HydrophobicContact CD1-CG 3.69Å; I184-F190 HydrophobicContact CD1-CZ 3.67Å; S187-F190 WeakPolarHBondContact OG-CB 3.18Å; G188-F190 VanDerWaalsContact C-N 3.29Å; G188-F190 PolarHBondContact O-N 3.15Å; F190-R205 WeakPolarHBondContact O-CD 3.36Å; F190-R205 PolarHBondContact O-NE 3.45Å; F190-I207 HydrophobicContact CD2-CD1 4.41Å; F190-I207 HydrophobicContact CE2-CD1 3.3Å; F190-I207 HydrophobicContact CE2-CG1 4Å; F190-I207 HydrophobicContact CZ-CD1 3.52Å; F190-L246 HydrophobicContact CE1-CD2 3.63Å; F190-L246 HydrophobicContact CZ-CD2 3.92Å |
| 191 | F | 89 | Confident | 87.6 | Confident | 36 Ų | 36 | 62.8 Ų | 62.8 | 16% | 0.158 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -0.9 | -179.4 | -65.8 | -70.2 | 0 | 0 | 0 | 114.7 | L194 L246 K249 T253 I257 | F191-L194 WeakPolarHBondContact O-CD2 3.33Å; F191-L194 WeakPolarHBondContact O-CG 3.5Å; F191-L246 HydrophobicContact CZ-CD2 4.17Å; F191-K249 HydrophobicContact CE2-CB 3.65Å; F191-K249 HydrophobicContact CZ-CB 3.94Å; F191-T253 HydrophobicContact CB-CG2 4.36Å; F191-I257 HydrophobicContact CE1-CD1 4.41Å |
| 192 | D | 85.3 | Confident | 87.3 | Confident | 95 Ų | 95 | 64.3 Ų | 64.3 | 51% | 0.508 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -82.8 | 162.8 | -178.9 | -74 | -12.4 | 0 | 0 | 0 | 112.7 | G188 L194 R205 | G188-D192 VanDerWaalsContact O-OD2 3.05Å; D192-L194 VanDerWaalsContact C-N 3.27Å; D192-L194 PolarHBondContact O-N 2.92Å; D192-R205 VanDerWaalsContact O-CZ 3.23Å; D192-R205 PolarHBondContact O-NH1 2.82Å; D192-R205 PolarHBondContact O-NH2 2.67Å |
| 193 | N | 84.5 | Confident | 87.2 | Confident | 128 Ų | 128 | 62.1 Ų | 62.1 | 68% | 0.684 | 34% | 0.344 | S | S | * | . | trans | 46.1 | 43.3 | 168.7 | -65.9 | -26.2 | 0 | 0 | 0 | 115.3 | N195 A196 | N193-N195 PolarHBondContact O-N 2.88Å; N193-N195 VanDerWaalsContact O-N 3.12Å; N193-A196 HydrophobicContact CB-CB 4.2Å; N193-A196 VanDerWaalsContact O-CB 3.25Å; N193-A196 WeakPolarHBondContact O-CB 3.46Å; N193-A196 PolarHBondContact O-N 3.22Å | ||
| 194 | L | 87 | Confident | 87.2 | Confident | 19 Ų | 19 | 60.9 Ų | 60.9 | 10% | 0.099 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.7 | -171.3 | -60.2 | -177.8 | 0 | 0 | 0 | 114.6 | T46 H47 F191 D192 D254 | T46-L194 HydrophobicContact CG2-CB 4.01Å; T46-L194 HydrophobicContact CG2-CD1 4.39Å; H47-L194 VanDerWaalsContact CE1-CD2 3.49Å; H47-L194 WeakPolarHBondContact CE1-CD2 3.38Å; F191-L194 WeakPolarHBondContact O-CD2 3.33Å; F191-L194 WeakPolarHBondContact O-CG 3.5Å; D192-L194 VanDerWaalsContact C-N 3.27Å; D192-L194 PolarHBondContact O-N 2.92Å; L194-D254 HydrophobicContact CD1-CB 4.36Å |
| 195 | N | 85.3 | Confident | 87.2 | Confident | 128 Ų | 128 | 60.9 Ų | 60.9 | 68% | 0.684 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 10.3 | 177.9 | -62.3 | -35.5 | 0 | 0 | 0 | 113.1 | N193 T197 | N193-N195 PolarHBondContact O-N 2.88Å; N193-N195 VanDerWaalsContact O-N 3.12Å; N195-T197 PolarHBondContact O-N 2.76Å |
| 196 | A | 86.8 | Confident | 87.4 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 24% | 0.24 | 32% | 0.318 | C | S | . | . | trans | -68.6 | 128.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F130 N193 | F130-A196 HydrophobicContact CD2-CB 4.32Å; F130-A196 HydrophobicContact CE1-CB 4.46Å; F130-A196 HydrophobicContact CE2-CB 3.94Å; F130-A196 HydrophobicContact CZ-CB 4.02Å; N193-A196 HydrophobicContact CB-CB 4.2Å; N193-A196 VanDerWaalsContact O-CB 3.25Å; N193-A196 WeakPolarHBondContact O-CB 3.46Å; N193-A196 PolarHBondContact O-N 3.22Å | ||
| 197 | T | 87.1 | Confident | 87.8 | Confident | 77 Ų | 77 | 50.5 Ų | 50.5 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -124.7 | 132.7 | 172 | -48.7 | 0 | 0 | 0 | 0 | 108 | N195 R202 Q203 | N195-T197 PolarHBondContact O-N 2.76Å; T197-R202 WeakPolarHBondContact CA-O 3.35Å; T197-Q203 HydrophobicContact CG2-CB 4.37Å; T197-Q203 PolarHBondContact OG1-OE1 3.22Å |
| 198 | S | 89.1 | Confident | 88.6 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | trans | -81.5 | 167.5 | 176.2 | 61.2 | 0 | 0 | 0 | 0 | 112 | D200 Y201 R202 | S198-D200 PolarHBondContact O-N 2.99Å; S198-D200 PolarHBondContact OG-OD1 3.26Å; S198-Y201 PolarHBondContact O-N 3.43Å; S198-Y201 VanDerWaalsContact O-N 3.11Å; S198-R202 PolarHBondContact N-O 3.22Å; S198-R202 VanDerWaalsContact OG-CA 3.28Å; S198-R202 WeakPolarHBondContact OG-CA 3.47Å; S198-R202 WeakPolarHBondContact OG-CB 3.24Å; S198-R202 WeakPolarHBondContact OG-CG 3.3Å; S198-R202 PolarHBondContact OG-N 2.91Å; S198-R202 PolarHBondContact OG-O 3.36Å | ||
| 199 | S | 85 | Confident | 89.8 | Confident | 124 Ų | 124 | 46.9 Ų | 46.9 | 87% | 0.867 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -25.2 | -179.8 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | Y201 | S199-Y201 VanDerWaalsContact C-N 3.35Š|
| 200 | D | 85.4 | Confident | 90.6 | Very high | 42 Ų | 42 | 44.1 Ų | 44.1 | 23% | 0.225 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 27.8 | 177.2 | 66.3 | -48.1 | 0 | 0 | 0 | 112.5 | S198 R202 | S198-D200 PolarHBondContact O-N 2.99Å; S198-D200 PolarHBondContact OG-OD1 3.26Å; D200-R202 VanDerWaalsContact C-N 3.26Å; D200-R202 PolarHBondContact O-N 3.02Å; D200-R202 IonicContact OD1-CZ 3.76Å; D200-R202 IonicContact OD1-NE 3.44Å; D200-R202 IonicContact OD1-NH1 2.71Å; D200-R202 PolarHBondContact OD1-NH1 3.43Å; D200-R202 IonicContact OD1-NH2 3.11Å; D200-R202 WeakPolarHBondContact OD2-CD 3.47Å; D200-R202 WeakPolarHBondContact OD2-CG 3.21Å; D200-R202 IonicContact OD2-CZ 3.38Å; D200-R202 IonicContact OD2-NE 3.93Å; D200-R202 IonicContact OD2-NH1 3.39Å; D200-R202 PolarHBondContact OD2-NH1 3.46Å |
| 201 | Y | 91.2 | Very high | 90.9 | Very high | 113 Ų | 113 | 44.2 Ų | 44.2 | 44% | 0.443 | 24% | 0.239 | S | C | . | . | trans | 66.7 | 15.2 | 174.6 | -47 | -78.4 | 0 | 0 | 0 | 115.4 | I36 P38 S198 S199 P343 | I36-Y201 HydrophobicContact CG2-CD2 4.26Å; P38-Y201 HydrophobicContact CB-CD1 4.18Å; P38-Y201 HydrophobicContact CB-CE1 4.01Å; S198-Y201 PolarHBondContact O-N 3.43Å; S198-Y201 VanDerWaalsContact O-N 3.11Å; S199-Y201 VanDerWaalsContact C-N 3.35Å; Y201-P343 HydrophobicContact CG-CG 4.34Å | ||
| 202 | R | 92.2 | Very high | 91.1 | Very high | 67 Ų | 67 | 43 Ų | 43 | 25% | 0.253 | 23% | 0.234 | S | C | . | . | trans | -72.4 | 134.6 | 173 | -46 | -178.2 | -66.4 | -103.6 | -2.2 | 111 | N127 R128 S129 T197 S198 D200 | N127-R202 WeakPolarHBondContact O-CD 3.37Å; R128-R202 WeakPolarHBondContact O-CA 2.87Å; R128-R202 VanDerWaalsContact O-CB 3.29Å; R128-R202 WeakPolarHBondContact O-CB 3.17Å; S129-R202 WeakPolarHBondContact O-CB 3.39Å; T197-R202 WeakPolarHBondContact CA-O 3.35Å; S198-R202 PolarHBondContact N-O 3.22Å; S198-R202 VanDerWaalsContact OG-CA 3.28Å; S198-R202 WeakPolarHBondContact OG-CA 3.47Å; S198-R202 WeakPolarHBondContact OG-CB 3.24Å; S198-R202 WeakPolarHBondContact OG-CG 3.3Å; S198-R202 PolarHBondContact OG-N 2.91Å; S198-R202 PolarHBondContact OG-O 3.36Å; D200-R202 VanDerWaalsContact C-N 3.26Å; D200-R202 PolarHBondContact O-N 3.02Å; D200-R202 IonicContact OD1-CZ 3.76Å; D200-R202 IonicContact OD1-NE 3.44Å; D200-R202 IonicContact OD1-NH1 2.71Å; D200-R202 PolarHBondContact OD1-NH1 3.43Å; D200-R202 IonicContact OD1-NH2 3.11Å; D200-R202 WeakPolarHBondContact OD2-CD 3.47Å; D200-R202 WeakPolarHBondContact OD2-CG 3.21Å; D200-R202 IonicContact OD2-CZ 3.38Å; D200-R202 IonicContact OD2-NE 3.93Å; D200-R202 IonicContact OD2-NH1 3.39Å; D200-R202 PolarHBondContact OD2-NH1 3.46Å | ||
| 203 | Q | 93.7 | Very high | 91.4 | Very high | 36 Ų | 36 | 38.5 Ų | 38.5 | 17% | 0.168 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -149.3 | 156.9 | -177.8 | 178.7 | 171.3 | -13.6 | 0 | 0 | 110.4 | R128 F130 T197 V342 | R128-Q203 PolarHBondContact O-N 3.39Å; F130-Q203 PolarHBondContact N-O 3.24Å; T197-Q203 HydrophobicContact CG2-CB 4.37Å; T197-Q203 PolarHBondContact OG1-OE1 3.22Å; Q203-V342 HydrophobicContact CB-CG1 3.78Å; Q203-V342 VanDerWaalsContact O-CG1 3.26Å; Q203-V342 WeakPolarHBondContact O-CG1 3.49Å |
| 204 | G | 93.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 70.3 | 172.2 | 171 | 0 | 0 | 0 | 0 | 0 | 113.5 | T46 F130 L131 | T46-G204 WeakPolarHBondContact O-CA 3.13Å; F130-G204 WeakPolarHBondContact CA-O 3.35Å; F130-G204 WeakPolarHBondContact CB-O 3.36Å; F130-G204 PolarHBondContact N-O 2.88Å; L131-G204 PolarHBondContact N-O 3Å |
| 205 | R | 95 | Very high | 92.2 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 2% | 0.023 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 141.6 | -173.6 | -69.4 | 172.9 | -179.9 | 72.8 | 1.3 | 111 | T46 H47 V48 L131 W133 D189 F190 D192 | T46-R205 PolarHBondContact O-N 2.97Å; H47-R205 CarbonylContact C-O 3.52Å; H47-R205 VanDerWaalsContact CA-O 3.26Å; H47-R205 WeakPolarHBondContact CA-O 3.29Å; H47-R205 WeakPolarHBondContact NE2-CD 3.34Å; V48-R205 PolarHBondContact N-O 3.14Å; L131-R205 HydrophobicContact CB-CG 4.31Å; L131-R205 CarbonylContact O-C 3.19Å; L131-R205 VanDerWaalsContact O-CA 3.28Å; L131-R205 WeakPolarHBondContact O-CA 3.41Å; W133-R205 HydrophobicContact CZ3-CB 4.37Å; W133-R205 HydrophobicContact CZ3-CG 4.31Å; D189-R205 PolarHBondContact O-NE 3.24Å; D189-R205 VanDerWaalsContact O-NE 3.1Å; D189-R205 PolarHBondContact O-NH2 2.89Å; F190-R205 WeakPolarHBondContact O-CD 3.36Å; F190-R205 PolarHBondContact O-NE 3.45Å; D192-R205 VanDerWaalsContact O-CZ 3.23Å; D192-R205 PolarHBondContact O-NH1 2.82Å; D192-R205 PolarHBondContact O-NH2 2.67Å |
| 206 | M | 95.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135.1 | 177.2 | -166.5 | 167.5 | 175.1 | 0 | 0 | 110.8 | V48 F50 L101 V125 L126 L131 A132 W133 M336 | V48-M206 WeakPolarHBondContact O-CA 3.39Å; F50-M206 HydrophobicContact CB-CE 3.78Å; F50-M206 HydrophobicContact CD1-CE 3.92Å; F50-M206 HydrophobicContact CG-CE 4.2Å; L101-M206 HydrophobicContact CD2-CE 3.63Å; V125-M206 HydrophobicContact CB-SD 4.36Å; V125-M206 HydrophobicContact CG2-CE 3.83Å; V125-M206 HydrophobicContact CG2-SD 3.69Å; L126-M206 HydrophobicContact CD2-CB 4.38Å; L126-M206 HydrophobicContact CD2-CE 4.15Å; L126-M206 HydrophobicContact CD2-CG 4.05Å; L126-M206 HydrophobicContact CD2-SD 3.58Å; L126-M206 VanDerWaalsContact CD2-SD 3.58Å; L126-M206 HydrophobicContact CG-SD 4.23Å; L131-M206 PolarHBondContact O-N 3.15Å; A132-M206 CarbonylContact C-O 3.56Å; A132-M206 VanDerWaalsContact CA-O 3.22Å; A132-M206 WeakPolarHBondContact CA-O 3.39Å; A132-M206 HydrophobicContact CB-CB 4.32Å; W133-M206 PolarHBondContact N-O 3.46Å; M206-M336 HydrophobicContact CE-CE 4.24Å; M206-M336 HydrophobicContact CE-SD 3.35Å; M206-M336 WeakPolarHBondContact CE-SD 3.43Å |
| 207 | I | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128.2 | 164.3 | -74.8 | 165.2 | 0 | 0 | 0 | 106.8 | V48 I49 F50 W133 W135 F180 F190 L209 | V48-I207 PolarHBondContact O-N 2.77Å; I49-I207 HydrophobicContact CD1-CB 3.89Å; I49-I207 HydrophobicContact CD1-CD1 3.66Å; I49-I207 HydrophobicContact CD1-CG1 4.2Å; I49-I207 HydrophobicContact CG2-CG2 4.41Å; F50-I207 PolarHBondContact N-O 3.01Å; W133-I207 HydrophobicContact CB-CG1 4.46Å; W133-I207 HydrophobicContact CE3-CG1 4.47Å; W133-I207 WeakPolarHBondContact O-CA 3.37Å; W135-I207 HydrophobicContact CZ3-CG2 4.05Å; F180-I207 HydrophobicContact CD2-CD1 3.75Å; F180-I207 HydrophobicContact CD2-CG2 4.22Å; F180-I207 HydrophobicContact CE2-CD1 3.51Å; F190-I207 HydrophobicContact CD2-CD1 4.41Å; F190-I207 HydrophobicContact CE2-CD1 3.3Å; F190-I207 HydrophobicContact CE2-CG1 4Å; F190-I207 HydrophobicContact CZ-CD1 3.52Å; I207-L209 HydrophobicContact CG2-CD1 4.39Å; I207-L209 HydrophobicContact CG2-CD2 3.44Å; I207-L209 VanDerWaalsContact CG2-CD2 3.44Å; I207-L209 HydrophobicContact CG2-CG 3.68Å |
| 208 | F | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 112 | 171.1 | 176.9 | -145.3 | 0 | 0 | 0 | 109.6 | F50 V52 H97 L101 L126 W133 I134 W135 V140 H210 | F50-F208 HydrophobicContact CB-CD2 4.39Å; F50-F208 AromaticContact CD1-CD2 3.54Å; F50-F208 HydrophobicContact CD1-CD2 3.54Å; F50-F208 AromaticContact CD1-CE2 3.95Å; F50-F208 HydrophobicContact CD1-CE2 3.95Å; F50-F208 HydrophobicContact CD1-CG 4.21Å; F50-F208 HydrophobicContact CE1-CD2 4.17Å; F50-F208 HydrophobicContact CE1-CE2 4.12Å; F50-F208 HydrophobicContact CG-CD2 4.21Å; F50-F208 CarbonylContact O-C 3.41Å; F50-F208 WeakPolarHBondContact O-CA 3.13Å; V52-F208 HydrophobicContact CB-CE2 3.95Å; V52-F208 HydrophobicContact CG2-CE2 3.66Å; V52-F208 HydrophobicContact CG2-CZ 4.42Å; H97-F208 AromaticContact CD2-CZ 3.38Å; H97-F208 WeakPolarHBondContact CD2-CZ 3.3Å; H97-F208 AromaticContact NE2-CZ 3.59Å; L101-F208 HydrophobicContact CD1-CD1 3.89Å; L101-F208 HydrophobicContact CD1-CE1 3.77Å; L101-F208 HydrophobicContact CD1-CZ 4.45Å; L126-F208 HydrophobicContact CD2-CB 4.48Å; W133-F208 PolarHBondContact O-N 3.07Å; I134-F208 WeakPolarHBondContact CA-O 3.1Å; I134-F208 HydrophobicContact CG1-CB 4.24Å; I134-F208 HydrophobicContact CG2-CB 4.19Å; I134-F208 HydrophobicContact CG2-CD1 3.49Å; I134-F208 VanDerWaalsContact CG2-CD1 3.49Å; I134-F208 HydrophobicContact CG2-CE1 4.15Å; I134-F208 HydrophobicContact CG2-CG 4.18Å; W135-F208 PolarHBondContact N-O 2.99Å; W135-F208 VanDerWaalsContact N-O 3.13Å; V140-F208 HydrophobicContact CG1-CE1 4.09Å; V140-F208 HydrophobicContact CG1-CZ 4.24Å; F208-H210 HydrophobicContact CE1-CB 4.49Å; F208-H210 HydrophobicContact CE2-CB 4.21Å; F208-H210 HydrophobicContact CZ-CB 3.89Å |
| 209 | L | 97.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 109.8 | 176.2 | -52.1 | -175.4 | 0 | 0 | 0 | 108.6 | F50 M51 V52 W135 V176 F180 I207 V242 | F50-L209 PolarHBondContact O-N 3.25Å; M51-L209 WeakPolarHBondContact CA-O 3.29Å; M51-L209 HydrophobicContact CG-CB 4.11Å; M51-L209 HydrophobicContact CG-CD1 3.98Å; M51-L209 HydrophobicContact CG-CG 4.28Å; M51-L209 HydrophobicContact SD-CD1 4.4Å; V52-L209 PolarHBondContact N-O 3.03Å; W135-L209 HydrophobicContact CE3-CD2 3.66Å; W135-L209 HydrophobicContact CZ3-CD2 4.02Å; V176-L209 HydrophobicContact CG1-CB 3.9Å; V176-L209 HydrophobicContact CG1-CD2 3.94Å; V176-L209 HydrophobicContact CG1-CG 4.41Å; F180-L209 HydrophobicContact CB-CD2 4.01Å; F180-L209 HydrophobicContact CG-CD1 4.44Å; F180-L209 HydrophobicContact CG-CD2 4.47Å; I207-L209 HydrophobicContact CG2-CD1 4.39Å; I207-L209 HydrophobicContact CG2-CD2 3.44Å; I207-L209 VanDerWaalsContact CG2-CD2 3.44Å; I207-L209 HydrophobicContact CG2-CG 3.68Å; L209-V242 HydrophobicContact CD1-CG1 4.18Å; L209-V242 HydrophobicContact CD1-CG2 3.61Å |
| 210 | H | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 108.3 | 174.4 | 173.3 | -73.7 | 0 | 0 | 0 | 109.8 | D54 H97 W135 G136 Y137 F208 D212 | D54-H210 IonicContact OD2-CE1 3.42Å; D54-H210 IonicContact OD2-NE2 2.99Å; D54-H210 PolarHBondContact OD2-NE2 2.88Å; H97-H210 AromaticContact CE1-CD2 3.46Å; H97-H210 PolarHBondContact CE1-CD2 3.46Å; H97-H210 VanDerWaalsContact CE1-CD2 3.46Å; H97-H210 AromaticContact CE1-NE2 3.57Å; H97-H210 AromaticContact NE2-CD2 3.36Å; H97-H210 PolarHBondContact NE2-CD2 3.19Å; H97-H210 AromaticContact NE2-NE2 3.97Å; W135-H210 WeakPolarHBondContact O-CB 3.41Å; W135-H210 PolarHBondContact O-N 3.17Å; G136-H210 WeakPolarHBondContact CA-O 3.16Å; Y137-H210 PolarHBondContact N-ND1 3.42Å; F208-H210 HydrophobicContact CE1-CB 4.49Å; F208-H210 HydrophobicContact CE2-CB 4.21Å; F208-H210 HydrophobicContact CZ-CB 3.89Å; H210-D212 IonicContact CE1-OD1 4Å |
| 211 | L | 95.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.7 | -179.5 | -51 | 176.4 | 0 | 0 | 0 | 108 | V52 S53 D54 D173 V176 L235 V238 | V52-L211 PolarHBondContact O-N 2.57Å; S53-L211 CarbonylContact C-O 3.58Å; S53-L211 WeakPolarHBondContact CA-O 3.18Å; D54-L211 WeakPolarHBondContact CB-O 3.44Å; D54-L211 PolarHBondContact N-O 3.31Å; D173-L211 HydrophobicContact CB-CD2 4.04Å; D173-L211 WeakPolarHBondContact OD1-CA 3.5Å; D173-L211 WeakPolarHBondContact OD1-CB 3.17Å; V176-L211 HydrophobicContact CB-CD2 4.12Å; V176-L211 HydrophobicContact CG1-CD2 3.86Å; L211-L235 HydrophobicContact CD1-CD1 3.49Å; L211-L235 VanDerWaalsContact CD1-CD1 3.49Å; L211-V238 HydrophobicContact CD1-CG1 3.77Å; L211-V238 HydrophobicContact CD2-CG1 4.19Å |
| 212 | D | 92.2 | Very high | 92.3 | Very high | 11 Ų | 11 | 24.2 Ų | 24.2 | 6% | 0.059 | 12% | 0.118 | C | C | . | . | trans | -122.1 | -7.1 | -164.8 | -168.2 | 53.5 | 0 | 0 | 0 | 112.9 | I172 D173 H210 A214 D215 M216 | I172-D212 HydrophobicContact CD1-CB 4.16Å; I172-D212 HydrophobicContact CG2-CB 3.87Å; D173-D212 PolarHBondContact OD1-N 3.37Å; H210-D212 IonicContact CE1-OD1 4Å; D212-A214 VanDerWaalsContact C-N 3.26Å; D212-A214 PolarHBondContact O-N 3.02Å; D212-D215 PolarHBondContact O-N 3.22Å; D212-M216 PolarHBondContact O-N 2.95Å | ||
| 213 | A | 92.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.5 | -32 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P169 T170 D173 V217 V231 | P169-A213 HydrophobicContact CB-CB 4.44Å; P169-A213 WeakPolarHBondContact O-CB 3.29Å; T170-A213 HydrophobicContact CG2-CB 4.43Å; D173-A213 PolarHBondContact OD1-N 3.25Å; D173-A213 VanDerWaalsContact OD1-N 3.12Å; D173-A213 WeakPolarHBondContact OD2-CB 3.25Å; A213-V217 WeakPolarHBondContact O-CB 3.47Å; A213-V217 VanDerWaalsContact O-CG2 3.29Å; A213-V217 WeakPolarHBondContact O-CG2 3.5Å; A213-V217 PolarHBondContact O-N 3.12Å; A213-V231 HydrophobicContact CB-CG1 4.08Å; A213-V231 HydrophobicContact CB-CG2 4.31Å |
| 214 | A | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.2 | -42.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | D54 L56 D212 G218 Y228 V231 | D54-A214 VanDerWaalsContact O-CB 3.32Å; D54-A214 WeakPolarHBondContact O-CB 3.35Å; L56-A214 HydrophobicContact CB-CB 4.25Å; L56-A214 HydrophobicContact CD1-CB 4.26Å; D212-A214 VanDerWaalsContact C-N 3.26Å; D212-A214 PolarHBondContact O-N 3.02Å; A214-G218 WeakPolarHBondContact O-CA 3.45Å; A214-G218 PolarHBondContact O-N 3.38Å; A214-Y228 HydrophobicContact CB-CE2 4.38Å; A214-Y228 WeakPolarHBondContact O-CE2 3.25Å; A214-V231 HydrophobicContact CB-CG1 3.92Å |
| 215 | D | 92.8 | Very high | 91.8 | Very high | 17 Ų | 17 | 25.3 Ų | 25.3 | 9% | 0.091 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.2 | -52.3 | 176.2 | -167.5 | 56.1 | 0 | 0 | 0 | 111.4 | D54 D212 V217 G218 H219 H265 H273 | D54-D215 HydrophobicContact CB-CB 4.17Å; D54-D215 PolarHBondContact O-N 2.78Å; D212-D215 PolarHBondContact O-N 3.22Å; D215-V217 PolarHBondContact O-N 3.2Å; D215-G218 WeakPolarHBondContact O-CA 3.46Å; D215-G218 PolarHBondContact O-N 3.45Å; D215-G218 VanDerWaalsContact O-N 3.09Å; D215-H219 PolarHBondContact O-CD2 3.36Å; D215-H219 PolarHBondContact O-N 3.35Å; D215-H219 IonicContact OD1-CD2 2.63Å; D215-H219 IonicContact OD1-NE2 3.87Å; D215-H219 PolarHBondContact OD1-NE2 2.75Å; D215-H219 VanDerWaalsContact OD1-NE2 3.1Å; D215-H219 IonicContact OD2-CD2 2.88Å; D215-H219 PolarHBondContact OD2-CD2 3.3Å; D215-H219 IonicContact OD2-NE2 3.06Å; D215-H219 PolarHBondContact OD2-NE2 3.24Å; D215-H265 IonicContact OD1-CE1 2.71Å; D215-H273 IonicContact OD1-CD2 2.76Å; D215-H273 IonicContact OD1-NE2 3.93Å; D215-H273 IonicContact OD2-NE2 3.03Å |
| 216 | M | 89.5 | Confident | 91.6 | Very high | 36 Ų | 36 | 31 Ų | 31 | 18% | 0.177 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.5 | -46 | 180 | -68.4 | -169.5 | 72.6 | 0 | 0 | 113.4 | A165 P169 D212 S220 | A165-M216 HydrophobicContact CB-CE 3.71Å; A165-M216 HydrophobicContact CB-SD 3.86Å; P169-M216 HydrophobicContact CB-CB 4Å; P169-M216 HydrophobicContact CB-SD 4.45Å; P169-M216 HydrophobicContact CG-CB 4.42Å; D212-M216 PolarHBondContact O-N 2.95Å; M216-S220 WeakPolarHBondContact O-CB 3.34Å; M216-S220 PolarHBondContact O-N 3.46Å; M216-S220 PolarHBondContact O-OG 2.86Å |
| 217 | V | 89.9 | Confident | 91.4 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.3 | -36.7 | 177.9 | 172.2 | 0 | 0 | 0 | 0 | 111 | P169 A213 D215 S220 F221 K222 E227 Y228 V231 | P169-V217 HydrophobicContact CB-CG2 3.53Å; P169-V217 HydrophobicContact CG-CG2 3.53Å; A213-V217 WeakPolarHBondContact O-CB 3.47Å; A213-V217 VanDerWaalsContact O-CG2 3.29Å; A213-V217 WeakPolarHBondContact O-CG2 3.5Å; A213-V217 PolarHBondContact O-N 3.12Å; D215-V217 PolarHBondContact O-N 3.2Å; V217-S220 PolarHBondContact O-N 2.91Å; V217-F221 HydrophobicContact CG1-CB 4.27Å; V217-F221 HydrophobicContact CG1-CD2 4.09Å; V217-F221 PolarHBondContact O-N 3.46Å; V217-K222 PolarHBondContact O-N 2.93Å; V217-E227 HydrophobicContact CG1-CB 3.75Å; V217-Y228 HydrophobicContact CG1-CD2 4.12Å; V217-V231 HydrophobicContact CB-CG2 3.83Å; V217-V231 HydrophobicContact CG1-CG2 4.06Å; V217-V231 HydrophobicContact CG2-CG2 3.53Å |
| 218 | G | 89 | Confident | 91.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.5 | -48.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | A214 D215 S220 K222 M267 G271 | A214-G218 WeakPolarHBondContact O-CA 3.45Å; A214-G218 PolarHBondContact O-N 3.38Å; D215-G218 WeakPolarHBondContact O-CA 3.46Å; D215-G218 PolarHBondContact O-N 3.45Å; D215-G218 VanDerWaalsContact O-N 3.09Å; G218-S220 PolarHBondContact O-N 3.44Å; G218-K222 WeakPolarHBondContact O-CA 3.41Å; G218-K222 PolarHBondContact O-N 2.89Å; G218-M267 WeakPolarHBondContact CA-SD 3.33Å; G218-G271 WeakPolarHBondContact O-CA 3.48Å |
| 219 | H | 85.4 | Confident | 90.9 | Very high | 70 Ų | 70 | 35.9 Ų | 35.9 | 32% | 0.324 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 173.9 | -74 | -60.5 | 0 | 0 | 0 | 112.5 | D215 K222 G271 H273 | D215-H219 PolarHBondContact O-CD2 3.36Å; D215-H219 PolarHBondContact O-N 3.35Å; D215-H219 IonicContact OD1-CD2 2.63Å; D215-H219 IonicContact OD1-NE2 3.87Å; D215-H219 PolarHBondContact OD1-NE2 2.75Å; D215-H219 VanDerWaalsContact OD1-NE2 3.1Å; D215-H219 IonicContact OD2-CD2 2.88Å; D215-H219 PolarHBondContact OD2-CD2 3.3Å; D215-H219 IonicContact OD2-NE2 3.06Å; D215-H219 PolarHBondContact OD2-NE2 3.24Å; H219-K222 PolarHBondContact O-NZ 2.85Å; H219-G271 PolarHBondContact ND1-O 2.68Å; H219-H273 AromaticContact CE1-CD2 3.24Å; H219-H273 PolarHBondContact CE1-CD2 3.24Å; H219-H273 AromaticContact CE1-NE2 3.21Å; H219-H273 PolarHBondContact CE1-NE2 3.31Å; H219-H273 AromaticContact NE2-CD2 3.36Å; H219-H273 PolarHBondContact NE2-CD2 2.99Å; H219-H273 AromaticContact NE2-NE2 3.02Å; H219-H273 PolarHBondContact NE2-NE2 3.45Å |
| 220 | S | 83.8 | Confident | 90.6 | Very high | 80 Ų | 80 | 39.7 Ų | 39.7 | 56% | 0.559 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -80.8 | -47.7 | -169.9 | -57.2 | 0 | 0 | 0 | 0 | 113.7 | M216 V217 G218 | M216-S220 WeakPolarHBondContact O-CB 3.34Å; M216-S220 PolarHBondContact O-N 3.46Å; M216-S220 PolarHBondContact O-OG 2.86Å; V217-S220 PolarHBondContact O-N 2.91Å; G218-S220 PolarHBondContact O-N 3.44Å |
| 221 | F | 87 | Confident | 90.5 | Very high | 99 Ų | 99 | 39.7 Ų | 39.7 | 43% | 0.434 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -116.2 | -13.1 | -170.7 | -61.1 | -81.5 | 0 | 0 | 0 | 113.7 | V217 S225 E227 | V217-F221 HydrophobicContact CG1-CB 4.27Å; V217-F221 HydrophobicContact CG1-CD2 4.09Å; V217-F221 PolarHBondContact O-N 3.46Å; F221-S225 WeakPolarHBondContact CB-OG 3.48Å; F221-S225 WeakPolarHBondContact O-CB 3.28Å; F221-E227 HydrophobicContact CB-CB 3.96Å; F221-E227 HydrophobicContact CB-CG 4.28Å; F221-E227 HydrophobicContact CD1-CB 4.4Å; F221-E227 HydrophobicContact CD1-CG 3.8Å; F221-E227 HydrophobicContact CD2-CB 3.94Å; F221-E227 HydrophobicContact CD2-CG 3.97Å; F221-E227 HydrophobicContact CE1-CG 4.08Å; F221-E227 HydrophobicContact CE2-CG 4.24Å; F221-E227 HydrophobicContact CG-CB 3.84Å; F221-E227 HydrophobicContact CG-CG 3.74Å; F221-E227 HydrophobicContact CZ-CG 4.29Å |
| 222 | K | 88.4 | Confident | 90.5 | Very high | 79 Ų | 79 | 40 Ų | 40 | 34% | 0.343 | 20% | 0.201 | S | C | . | . | trans | 79.4 | 154.3 | 180 | -41.8 | -44.6 | -174.3 | -178.1 | 0 | 113.1 | V217 G218 H219 D224 S225 W270 | V217-K222 PolarHBondContact O-N 2.93Å; G218-K222 WeakPolarHBondContact O-CA 3.41Å; G218-K222 PolarHBondContact O-N 2.89Å; H219-K222 PolarHBondContact O-NZ 2.85Å; K222-D224 VanDerWaalsContact C-N 3.26Å; K222-D224 PolarHBondContact O-N 2.93Å; K222-S225 VanDerWaalsContact O-CB 3.27Å; K222-S225 WeakPolarHBondContact O-CB 3.24Å; K222-S225 PolarHBondContact O-N 3.46Å; K222-S225 VanDerWaalsContact O-N 3.13Å; K222-S225 PolarHBondContact O-OG 3.29Å; K222-W270 VanDerWaalsContact CD-O 3.31Å; K222-W270 WeakPolarHBondContact CD-O 3.39Å; K222-W270 WeakPolarHBondContact CE-O 3.32Å; K222-W270 PolarHBondContact NZ-O 3.33Å | ||
| 223 | P | 89 | Confident | 90.7 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.019 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.2 | -172.9 | -26.7 | 37.1 | 0 | 0 | 0 | 116.9 | K60 S225 Y228 M267 E269 | K60-P223 WeakPolarHBondContact CE-O 3.48Å; K60-P223 HydrophobicContact CG-CB 4.47Å; P223-S225 VanDerWaalsContact C-N 3.32Å; P223-Y228 HydrophobicContact CB-CD2 4.49Å; P223-Y228 HydrophobicContact CB-CE1 4.49Å; P223-Y228 HydrophobicContact CB-CE2 4.43Å; P223-Y228 WeakPolarHBondContact O-CD1 3.32Å; P223-M267 HydrophobicContact CG-CG 3.71Å; P223-M267 HydrophobicContact CG-SD 3.6Å; P223-M267 VanDerWaalsContact CG-SD 3.6Å; P223-E269 WeakPolarHBondContact CD-O 3.38Å |
| 224 | D | 89 | Confident | 90.8 | Very high | 108 Ų | 108 | 43.9 Ų | 43.9 | 58% | 0.578 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 1.3 | 177.8 | -71.9 | -52.4 | 0 | 0 | 0 | 113.6 | K60 K222 | K60-D224 IonicContact NZ-OD1 2.74Å; K60-D224 PolarHBondContact NZ-OD1 3.36Å; K60-D224 IonicContact NZ-OD2 3.2Å; K222-D224 VanDerWaalsContact C-N 3.26Å; K222-D224 PolarHBondContact O-N 2.93Å |
| 225 | S | 90.9 | Very high | 90.9 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -74.3 | 159.6 | -177.7 | 63.9 | 0 | 0 | 0 | 0 | 113.8 | F221 K222 P223 E227 Y228 T229 | F221-S225 WeakPolarHBondContact CB-OG 3.48Å; F221-S225 WeakPolarHBondContact O-CB 3.28Å; K222-S225 VanDerWaalsContact O-CB 3.27Å; K222-S225 WeakPolarHBondContact O-CB 3.24Å; K222-S225 PolarHBondContact O-N 3.46Å; K222-S225 VanDerWaalsContact O-N 3.13Å; K222-S225 PolarHBondContact O-OG 3.29Å; P223-S225 VanDerWaalsContact C-N 3.32Å; S225-E227 WeakPolarHBondContact CB-OE2 3.47Å; S225-E227 PolarHBondContact O-N 3.48Å; S225-Y228 PolarHBondContact O-N 3.44Å; S225-Y228 WeakPolarHBondContact OG-CB 3.47Å; S225-Y228 PolarHBondContact OG-N 2.71Å; S225-Y228 VanDerWaalsContact OG-N 3.09Å; S225-T229 PolarHBondContact O-N 3.28Å; S225-T229 PolarHBondContact O-OG1 2.9Å |
| 226 | H | 91.2 | Very high | 91.1 | Very high | 125 Ų | 125 | 43.8 Ų | 43.8 | 58% | 0.579 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.7 | -35.7 | 171.5 | 178.7 | -87.4 | 0 | 0 | 0 | 110.9 | T229 E230 | H226-T229 VanDerWaalsContact O-CB 3.28Å; H226-T229 WeakPolarHBondContact O-CB 3.47Å; H226-T229 PolarHBondContact O-N 2.83Å; H226-E230 PolarHBondContact O-N 2.93Å |
| 227 | E | 90.2 | Very high | 91.5 | Very high | 80 Ų | 80 | 45.5 Ų | 45.5 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 176.4 | -66.6 | 78.5 | -177.2 | 0 | 0 | 111.3 | V217 F221 S225 T229 E230 V231 | V217-E227 HydrophobicContact CG1-CB 3.75Å; F221-E227 HydrophobicContact CB-CB 3.96Å; F221-E227 HydrophobicContact CB-CG 4.28Å; F221-E227 HydrophobicContact CD1-CB 4.4Å; F221-E227 HydrophobicContact CD1-CG 3.8Å; F221-E227 HydrophobicContact CD2-CB 3.94Å; F221-E227 HydrophobicContact CD2-CG 3.97Å; F221-E227 HydrophobicContact CE1-CG 4.08Å; F221-E227 HydrophobicContact CE2-CG 4.24Å; F221-E227 HydrophobicContact CG-CB 3.84Å; F221-E227 HydrophobicContact CG-CG 3.74Å; F221-E227 HydrophobicContact CZ-CG 4.29Å; S225-E227 WeakPolarHBondContact CB-OE2 3.47Å; S225-E227 PolarHBondContact O-N 3.48Å; E227-T229 VanDerWaalsContact C-N 3.26Å; E227-T229 PolarHBondContact O-N 3.24Å; E227-E230 WeakPolarHBondContact O-CB 3.44Å; E227-E230 PolarHBondContact O-N 2.8Å; E227-E230 VanDerWaalsContact O-N 3.07Å; E227-V231 PolarHBondContact O-N 3.39Å |
| 228 | Y | 92 | Very high | 91.8 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.1 | -34.9 | 176 | -158.8 | -88.8 | 0 | 0 | 0 | 111.5 | G55 R57 K60 A214 V217 P223 S225 E230 V231 L232 M267 | G55-Y228 PolarHBondContact O-OH 3.38Å; R57-Y228 PolarHBondContact N-OH 3.3Å; R57-Y228 VanDerWaalsContact N-OH 3.11Å; K60-Y228 HydrophobicContact CB-CE1 3.93Å; K60-Y228 HydrophobicContact CG-CD1 4.32Å; K60-Y228 HydrophobicContact CG-CE1 3.83Å; A214-Y228 HydrophobicContact CB-CE2 4.38Å; A214-Y228 WeakPolarHBondContact O-CE2 3.25Å; V217-Y228 HydrophobicContact CG1-CD2 4.12Å; P223-Y228 HydrophobicContact CB-CD2 4.49Å; P223-Y228 HydrophobicContact CB-CE1 4.49Å; P223-Y228 HydrophobicContact CB-CE2 4.43Å; P223-Y228 WeakPolarHBondContact O-CD1 3.32Å; S225-Y228 PolarHBondContact O-N 3.44Å; S225-Y228 WeakPolarHBondContact OG-CB 3.47Å; S225-Y228 PolarHBondContact OG-N 2.71Å; S225-Y228 VanDerWaalsContact OG-N 3.09Å; Y228-E230 VanDerWaalsContact C-N 3.31Å; Y228-E230 PolarHBondContact O-N 2.73Å; Y228-V231 WeakPolarHBondContact O-CB 3.31Å; Y228-V231 PolarHBondContact O-N 2.83Å; Y228-L232 HydrophobicContact CD1-CG 4.48Å; Y228-L232 HydrophobicContact CE1-CD2 4.35Å; Y228-L232 PolarHBondContact O-N 2.87Å; Y228-L232 VanDerWaalsContact O-N 3.1Å; Y228-M267 HydrophobicContact CE2-CE 4.49Å; Y228-M267 HydrophobicContact CE2-SD 4.43Å |
| 229 | T | 92.7 | Very high | 92.2 | Very high | 23 Ų | 23 | 45.4 Ų | 45.4 | 14% | 0.141 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -37.1 | 172.9 | -56.3 | 0 | 0 | 0 | 0 | 112 | Y68 S225 H226 E227 V231 L232 R233 | Y68-T229 HydrophobicContact CD1-CG2 3.54Å; Y68-T229 HydrophobicContact CD2-CG2 3.59Å; Y68-T229 HydrophobicContact CE1-CG2 3.5Å; Y68-T229 VanDerWaalsContact CE1-CG2 3.5Å; Y68-T229 HydrophobicContact CE2-CG2 3.52Å; Y68-T229 HydrophobicContact CG-CG2 3.58Å; Y68-T229 VanDerWaalsContact CZ-CG2 3.46Å; S225-T229 PolarHBondContact O-N 3.28Å; S225-T229 PolarHBondContact O-OG1 2.9Å; H226-T229 VanDerWaalsContact O-CB 3.28Å; H226-T229 WeakPolarHBondContact O-CB 3.47Å; H226-T229 PolarHBondContact O-N 2.83Å; E227-T229 VanDerWaalsContact C-N 3.26Å; E227-T229 PolarHBondContact O-N 3.24Å; T229-V231 VanDerWaalsContact C-N 3.34Å; T229-L232 WeakPolarHBondContact O-CB 3.42Å; T229-L232 PolarHBondContact O-N 3.49Å; T229-R233 VanDerWaalsContact CG2-NH2 3.33Å; T229-R233 PolarHBondContact O-N 2.85Å |
| 230 | E | 92.4 | Very high | 92.9 | Very high | 81 Ų | 81 | 46.2 Ų | 46.2 | 38% | 0.379 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.5 | -35.4 | 174.9 | -169.4 | 58.9 | -159.7 | 0 | 0 | 112 | H226 E227 Y228 L232 R233 N234 | H226-E230 PolarHBondContact O-N 2.93Å; E227-E230 WeakPolarHBondContact O-CB 3.44Å; E227-E230 PolarHBondContact O-N 2.8Å; E227-E230 VanDerWaalsContact O-N 3.07Å; Y228-E230 VanDerWaalsContact C-N 3.31Å; Y228-E230 PolarHBondContact O-N 2.73Å; E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 3.19Å; E230-R233 PolarHBondContact O-N 3.06Å; E230-R233 IonicContact OE2-CZ 2.8Å; E230-R233 IonicContact OE2-NH1 2.68Å; E230-R233 PolarHBondContact OE2-NH1 3.42Å; E230-N234 WeakPolarHBondContact O-CB 3.44Å; E230-N234 PolarHBondContact O-N 2.86Å |
| 231 | V | 93.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 170.3 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | T170 A213 A214 V217 E227 Y228 T229 R233 N234 L235 | T170-V231 HydrophobicContact CG2-CG2 4.08Å; A213-V231 HydrophobicContact CB-CG1 4.08Å; A213-V231 HydrophobicContact CB-CG2 4.31Å; A214-V231 HydrophobicContact CB-CG1 3.92Å; V217-V231 HydrophobicContact CB-CG2 3.83Å; V217-V231 HydrophobicContact CG1-CG2 4.06Å; V217-V231 HydrophobicContact CG2-CG2 3.53Å; E227-V231 PolarHBondContact O-N 3.39Å; Y228-V231 WeakPolarHBondContact O-CB 3.31Å; Y228-V231 PolarHBondContact O-N 2.83Å; T229-V231 VanDerWaalsContact C-N 3.34Å; V231-R233 VanDerWaalsContact C-N 3.32Å; V231-R233 PolarHBondContact O-N 2.8Å; V231-N234 PolarHBondContact O-N 3.42Å; V231-L235 WeakPolarHBondContact O-CB 3.42Å; V231-L235 PolarHBondContact O-N 2.87Å |
| 232 | L | 95.2 | Very high | 94.1 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.4 | -41 | 177.6 | -62.6 | 178.5 | 0 | 0 | 0 | 112.5 | L56 K60 I61 Y68 T69 Y228 T229 E230 L235 D236 | L56-L232 HydrophobicContact CD1-CD2 3.91Å; K60-L232 HydrophobicContact CB-CD1 4.24Å; I61-L232 HydrophobicContact CG1-CD2 3.83Å; Y68-L232 HydrophobicContact CD2-CD1 4.28Å; T69-L232 HydrophobicContact CG2-CB 4.14Å; Y228-L232 HydrophobicContact CD1-CG 4.48Å; Y228-L232 HydrophobicContact CE1-CD2 4.35Å; Y228-L232 PolarHBondContact O-N 2.87Å; Y228-L232 VanDerWaalsContact O-N 3.1Å; T229-L232 WeakPolarHBondContact O-CB 3.42Å; T229-L232 PolarHBondContact O-N 3.49Å; E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 3.19Å; L232-L235 PolarHBondContact O-N 3.4Å; L232-D236 PolarHBondContact O-N 3.21Å |
| 233 | R | 95.6 | Very high | 94.6 | Very high | 86 Ų | 86 | 39 Ų | 39 | 33% | 0.325 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.4 | -44.2 | 176.2 | -63.8 | -178 | -166.7 | 109.9 | 6.9 | 111.9 | T229 E230 V231 L235 D236 N237 | T229-R233 VanDerWaalsContact CG2-NH2 3.33Å; T229-R233 PolarHBondContact O-N 2.85Å; E230-R233 PolarHBondContact O-N 3.06Å; E230-R233 IonicContact OE2-CZ 2.8Å; E230-R233 IonicContact OE2-NH1 2.68Å; E230-R233 PolarHBondContact OE2-NH1 3.42Å; V231-R233 VanDerWaalsContact C-N 3.32Å; V231-R233 PolarHBondContact O-N 2.8Å; R233-L235 VanDerWaalsContact C-N 3.29Å; R233-L235 PolarHBondContact O-N 3.2Å; R233-D236 PolarHBondContact O-N 2.92Å; R233-N237 PolarHBondContact O-N 3.29Å; R233-N237 VanDerWaalsContact O-N 3.17Å |
| 234 | N | 95.2 | Very high | 95 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 176 | -177.9 | 77.1 | 0 | 0 | 0 | 110.7 | T170 R174 E230 V231 N237 V238 | T170-N234 HydrophobicContact CG2-CB 4.04Å; R174-N234 PolarHBondContact NE-OD1 2.68Å; R174-N234 PolarHBondContact NH2-OD1 2.84Å; E230-N234 WeakPolarHBondContact O-CB 3.44Å; E230-N234 PolarHBondContact O-N 2.86Å; V231-N234 PolarHBondContact O-N 3.42Å; N234-N237 PolarHBondContact O-N 2.9Å; N234-V238 WeakPolarHBondContact O-CB 3.42Å; N234-V238 WeakPolarHBondContact O-CG2 3.47Å; N234-V238 PolarHBondContact O-N 3.48Å |
| 235 | L | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 179.7 | -173.2 | 61.7 | 0 | 0 | 0 | 112 | L56 I61 L211 V231 L232 R233 N237 V238 V239 F261 | L56-L235 HydrophobicContact CD1-CD2 4.09Å; L56-L235 HydrophobicContact CD2-CD2 3.89Å; I61-L235 HydrophobicContact CD1-CD2 4.42Å; L211-L235 HydrophobicContact CD1-CD1 3.49Å; L211-L235 VanDerWaalsContact CD1-CD1 3.49Å; V231-L235 WeakPolarHBondContact O-CB 3.42Å; V231-L235 PolarHBondContact O-N 2.87Å; L232-L235 PolarHBondContact O-N 3.4Å; R233-L235 VanDerWaalsContact C-N 3.29Å; R233-L235 PolarHBondContact O-N 3.2Å; L235-N237 VanDerWaalsContact C-N 3.32Å; L235-N237 PolarHBondContact O-N 3.3Å; L235-V238 PolarHBondContact O-N 3.44Å; L235-V239 HydrophobicContact CD1-CG2 4.38Å; L235-V239 WeakPolarHBondContact O-CB 3.34Å; L235-V239 VanDerWaalsContact O-CG2 3.29Å; L235-V239 WeakPolarHBondContact O-CG2 3.36Å; L235-V239 PolarHBondContact O-N 3.06Å; L235-F261 HydrophobicContact CD1-CE2 4.01Å; L235-F261 HydrophobicContact CD1-CZ 4.37Å; L235-F261 HydrophobicContact CD2-CE2 4.21Å; L235-F261 HydrophobicContact CD2-CZ 3.72Å; L235-F261 HydrophobicContact CG-CE2 4.2Å; L235-F261 HydrophobicContact CG-CZ 4.11Å |
| 236 | D | 97.4 | Very high | 95.6 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 176 | -166.6 | 73.7 | 0 | 0 | 0 | 111.8 | T69 P70 F71 L72 L232 R233 F240 | T69-D236 VanDerWaalsContact C-CG 3.49Å; T69-D236 VanDerWaalsContact CA-CG 3.41Å; T69-D236 WeakPolarHBondContact CA-OD1 3Å; T69-D236 WeakPolarHBondContact CB-OD1 3.39Å; T69-D236 HydrophobicContact CG2-CB 4.24Å; P70-D236 WeakPolarHBondContact CD-OD2 3.45Å; P70-D236 WeakPolarHBondContact CG-OD2 3.47Å; F71-D236 WeakPolarHBondContact CB-OD1 3.36Å; F71-D236 WeakPolarHBondContact CB-OD2 3.39Å; F71-D236 PolarHBondContact N-OD1 3.45Å; F71-D236 PolarHBondContact N-OD2 2.95Å; L72-D236 WeakPolarHBondContact CG-OD1 3.45Å; L72-D236 PolarHBondContact N-OD1 3.07Å; L232-D236 PolarHBondContact O-N 3.21Å; R233-D236 PolarHBondContact O-N 2.92Å; D236-F240 VanDerWaalsContact O-CB 3.31Å; D236-F240 WeakPolarHBondContact O-CB 3.43Å; D236-F240 PolarHBondContact O-N 3.5Å |
| 237 | N | 97.7 | Very high | 95.8 | Very high | 73 Ų | 73 | 34.6 Ų | 34.6 | 39% | 0.39 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 176.8 | 177.6 | 49.8 | 0 | 0 | 0 | 112.3 | R233 N234 L235 F240 Q241 | R233-N237 PolarHBondContact O-N 3.29Å; R233-N237 VanDerWaalsContact O-N 3.17Å; N234-N237 PolarHBondContact O-N 2.9Å; L235-N237 VanDerWaalsContact C-N 3.32Å; L235-N237 PolarHBondContact O-N 3.3Å; N237-F240 WeakPolarHBondContact O-CB 3.46Å; N237-F240 PolarHBondContact O-N 2.85Å; N237-Q241 PolarHBondContact ND2-NE2 3.39Å; N237-Q241 VanDerWaalsContact O-CG 3.31Å; N237-Q241 WeakPolarHBondContact O-CG 3.23Å; N237-Q241 PolarHBondContact O-N 3.28Å |
| 238 | V | 96.1 | Very high | 96 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.9 | -50.1 | 176.2 | 149 | 0 | 0 | 0 | 0 | 110.8 | D173 V177 L211 N234 L235 F240 Q241 V242 | D173-V238 HydrophobicContact CB-CG2 4.47Å; V177-V238 HydrophobicContact CG2-CB 4Å; V177-V238 HydrophobicContact CG2-CG1 3.27Å; V177-V238 HydrophobicContact CG2-CG2 3.89Å; L211-V238 HydrophobicContact CD1-CG1 3.77Å; L211-V238 HydrophobicContact CD2-CG1 4.19Å; N234-V238 WeakPolarHBondContact O-CB 3.42Å; N234-V238 WeakPolarHBondContact O-CG2 3.47Å; N234-V238 PolarHBondContact O-N 3.48Å; L235-V238 PolarHBondContact O-N 3.44Å; V238-F240 VanDerWaalsContact C-N 3.3Å; V238-F240 PolarHBondContact O-N 3.43Å; V238-Q241 PolarHBondContact O-N 2.77Å; V238-V242 WeakPolarHBondContact O-CG2 3.48Å; V238-V242 PolarHBondContact O-N 3.45Å; V238-V242 VanDerWaalsContact O-N 3.13Å |
| 239 | V | 98 | Very high | 96 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.9 | -36.5 | 180 | 177 | 0 | 0 | 0 | 0 | 110.8 | M51 F71 L72 L235 Y243 F261 W288 | M51-V239 HydrophobicContact CE-CG1 4.06Å; M51-V239 HydrophobicContact SD-CG1 4.19Å; M51-V239 HydrophobicContact SD-CG2 4.2Å; F71-V239 HydrophobicContact CD1-CG1 4.21Å; F71-V239 HydrophobicContact CE1-CG1 3.92Å; L72-V239 HydrophobicContact CD2-CB 4.24Å; L72-V239 HydrophobicContact CD2-CG1 3.71Å; L235-V239 HydrophobicContact CD1-CG2 4.38Å; L235-V239 WeakPolarHBondContact O-CB 3.34Å; L235-V239 VanDerWaalsContact O-CG2 3.29Å; L235-V239 WeakPolarHBondContact O-CG2 3.36Å; L235-V239 PolarHBondContact O-N 3.06Å; V239-Y243 WeakPolarHBondContact O-CB 3.43Å; V239-Y243 PolarHBondContact O-N 3.43Å; V239-F261 HydrophobicContact CG2-CD2 3.96Å; V239-F261 HydrophobicContact CG2-CE2 3.97Å; V239-W288 HydrophobicContact CG1-CH2 3.93Å; V239-W288 HydrophobicContact CG1-CZ2 4.38Å |
| 240 | F | 98.5 | Very high | 96 | Very high | 87 Ų | 87 | 38.9 Ų | 38.9 | 38% | 0.382 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 171.7 | 172.4 | -103.7 | 0 | 0 | 0 | 112.8 | F71 D236 N237 V238 V242 Y243 H244 | F71-F240 HydrophobicContact CB-CB 4.24Å; F71-F240 HydrophobicContact CD1-CB 3.88Å; F71-F240 HydrophobicContact CD2-CB 4.42Å; F71-F240 AromaticContact CD2-CD2 3.72Å; F71-F240 HydrophobicContact CD2-CD2 3.72Å; F71-F240 HydrophobicContact CE1-CB 4.39Å; F71-F240 AromaticContact CE2-CD2 3.99Å; F71-F240 HydrophobicContact CE2-CD2 3.99Å; F71-F240 HydrophobicContact CG-CB 3.9Å; F71-F240 HydrophobicContact CG-CD2 4.06Å; F71-F240 HydrophobicContact CG-CG 4.46Å; D236-F240 VanDerWaalsContact O-CB 3.31Å; D236-F240 WeakPolarHBondContact O-CB 3.43Å; D236-F240 PolarHBondContact O-N 3.5Å; N237-F240 WeakPolarHBondContact O-CB 3.46Å; N237-F240 PolarHBondContact O-N 2.85Å; V238-F240 VanDerWaalsContact C-N 3.3Å; V238-F240 PolarHBondContact O-N 3.43Å; F240-V242 PolarHBondContact O-N 2.91Å; F240-Y243 PolarHBondContact O-N 3.26Å; F240-H244 HydrophobicContact CE1-CB 4.35Å; F240-H244 HydrophobicContact CE2-CB 4.33Å; F240-H244 HydrophobicContact CZ-CB 4.15Å; F240-H244 AromaticContact CZ-CD2 3.99Å; F240-H244 WeakPolarHBondContact O-CB 3.21Å; F240-H244 PolarHBondContact O-N 2.88Å |
| 241 | Q | 98.5 | Very high | 95.9 | Very high | 64 Ų | 64 | 44.1 Ų | 44.1 | 30% | 0.299 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 179.8 | -75.7 | 176.2 | 5.6 | 0 | 0 | 111.8 | V177 N237 V238 H244 K245 | V177-Q241 HydrophobicContact CG1-CB 4.25Å; N237-Q241 PolarHBondContact ND2-NE2 3.39Å; N237-Q241 VanDerWaalsContact O-CG 3.31Å; N237-Q241 WeakPolarHBondContact O-CG 3.23Å; N237-Q241 PolarHBondContact O-N 3.28Å; V238-Q241 PolarHBondContact O-N 2.77Å; Q241-H244 PolarHBondContact O-N 3.27Å; Q241-K245 VanDerWaalsContact O-CB 3.26Å; Q241-K245 WeakPolarHBondContact O-CB 3.38Å; Q241-K245 PolarHBondContact O-N 3.3Å |
| 242 | V | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59 | -51.4 | 175.8 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | I49 M51 V177 F180 L209 V238 F240 K245 L246 | I49-V242 HydrophobicContact CG2-CG1 3.91Å; M51-V242 HydrophobicContact SD-CB 4.31Å; M51-V242 HydrophobicContact SD-CG1 4.09Å; M51-V242 HydrophobicContact SD-CG2 4.5Å; V177-V242 HydrophobicContact CG1-CG2 4.32Å; V177-V242 HydrophobicContact CG2-CG2 4.29Å; F180-V242 HydrophobicContact CD1-CB 4.47Å; F180-V242 HydrophobicContact CD1-CG1 4.45Å; F180-V242 HydrophobicContact CD1-CG2 3.87Å; F180-V242 HydrophobicContact CE1-CB 4.08Å; F180-V242 HydrophobicContact CE1-CG1 3.95Å; F180-V242 HydrophobicContact CE1-CG2 3.98Å; F180-V242 HydrophobicContact CE2-CG1 4.48Å; F180-V242 HydrophobicContact CZ-CG1 3.96Å; L209-V242 HydrophobicContact CD1-CG1 4.18Å; L209-V242 HydrophobicContact CD1-CG2 3.61Å; V238-V242 WeakPolarHBondContact O-CG2 3.48Å; V238-V242 PolarHBondContact O-N 3.45Å; V238-V242 VanDerWaalsContact O-N 3.13Å; F240-V242 PolarHBondContact O-N 2.91Å; V242-K245 PolarHBondContact O-N 3.25Å; V242-L246 HydrophobicContact CG1-CD1 4.14Å; V242-L246 WeakPolarHBondContact O-CG 3.39Å; V242-L246 PolarHBondContact O-N 3.41Å; V242-L246 VanDerWaalsContact O-N 3.12Å |
| 243 | Y | 98 | Very high | 95.2 | Very high | 44 Ų | 44 | 50.6 Ų | 50.6 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 179.4 | 174 | -94.8 | 0 | 0 | 0 | 112.6 | F71 R79 V239 F240 T247 Y259 W288 | F71-Y243 HydrophobicContact CE1-CG 4.34Å; F71-Y243 AromaticContact CE2-CD1 3.82Å; F71-Y243 HydrophobicContact CE2-CD1 3.82Å; F71-Y243 HydrophobicContact CE2-CE1 4.32Å; F71-Y243 HydrophobicContact CE2-CG 4.26Å; F71-Y243 AromaticContact CZ-CD1 3.54Å; F71-Y243 HydrophobicContact CZ-CD1 3.54Å; F71-Y243 HydrophobicContact CZ-CD2 4.21Å; F71-Y243 HydrophobicContact CZ-CE1 4.32Å; F71-Y243 AromaticContact CZ-CG 3.51Å; F71-Y243 HydrophobicContact CZ-CG 3.51Å; R79-Y243 VanDerWaalsContact NH1-CE1 3.34Å; R79-Y243 PolarHBondContact NH1-OH 3.09Å; V239-Y243 WeakPolarHBondContact O-CB 3.43Å; V239-Y243 PolarHBondContact O-N 3.43Å; F240-Y243 PolarHBondContact O-N 3.26Å; Y243-T247 WeakPolarHBondContact CE1-OG1 3.35Å; Y243-T247 VanDerWaalsContact CZ-OG1 3.3Å; Y243-T247 VanDerWaalsContact O-CB 3.3Å; Y243-T247 WeakPolarHBondContact O-CB 3.5Å; Y243-T247 PolarHBondContact O-N 3.36Å; Y243-T247 PolarHBondContact O-OG1 2.99Å; Y243-Y259 HydrophobicContact CD2-CD2 4.47Å; Y243-Y259 HydrophobicContact CD2-CE1 4.12Å; Y243-Y259 AromaticContact CD2-CE2 3.94Å; Y243-Y259 HydrophobicContact CD2-CE2 3.94Å; Y243-Y259 AromaticContact CD2-CZ 3.75Å; Y243-Y259 HydrophobicContact CE2-CE2 4.13Å; Y243-W288 HydrophobicContact CD2-CZ2 4.43Å; Y243-W288 AromaticContact CD2-NE1 3.44Å; Y243-W288 AromaticContact CE2-NE1 3.6Å |
| 244 | H | 97.8 | Very high | 94.9 | Very high | 94 Ų | 94 | 53.1 Ų | 53.1 | 44% | 0.435 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62 | -48.3 | -178.9 | 178.6 | -82.4 | 0 | 0 | 0 | 110.7 | F240 Q241 L246 T247 E248 | F240-H244 HydrophobicContact CE1-CB 4.35Å; F240-H244 HydrophobicContact CE2-CB 4.33Å; F240-H244 HydrophobicContact CZ-CB 4.15Å; F240-H244 AromaticContact CZ-CD2 3.99Å; F240-H244 WeakPolarHBondContact O-CB 3.21Å; F240-H244 PolarHBondContact O-N 2.88Å; Q241-H244 PolarHBondContact O-N 3.27Å; H244-L246 PolarHBondContact O-N 3.12Å; H244-T247 PolarHBondContact O-N 3.13Å; H244-E248 IonicContact CE1-OE2 3.82Å; H244-E248 IonicContact ND1-OE2 3.61Å; H244-E248 WeakPolarHBondContact O-CB 3.34Å; H244-E248 PolarHBondContact O-N 3.4Å |
| 245 | K | 96.8 | Very high | 94.8 | Very high | 29 Ų | 29 | 53.7 Ų | 53.7 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.4 | -46 | -178.9 | -171 | 69.5 | 169.8 | -171 | 0 | 112.1 | F180 L181 I184 D185 Q241 V242 E248 K249 | F180-K245 HydrophobicContact CE1-CB 4.31Å; L181-K245 HydrophobicContact CD2-CB 3.66Å; L181-K245 HydrophobicContact CD2-CD 3.98Å; L181-K245 HydrophobicContact CD2-CG 3.6Å; I184-K245 HydrophobicContact CB-CG 4.29Å; I184-K245 HydrophobicContact CG2-CG 3.84Å; D185-K245 VanDerWaalsContact CG-CE 3.5Å; D185-K245 WeakPolarHBondContact OD1-CE 3.33Å; D185-K245 IonicContact OD1-NZ 2.78Å; D185-K245 PolarHBondContact OD1-NZ 3.1Å; D185-K245 WeakPolarHBondContact OD2-CE 3.33Å; D185-K245 IonicContact OD2-NZ 3.19Å; D185-K245 PolarHBondContact OD2-NZ 2.91Å; Q241-K245 VanDerWaalsContact O-CB 3.26Å; Q241-K245 WeakPolarHBondContact O-CB 3.38Å; Q241-K245 PolarHBondContact O-N 3.3Å; V242-K245 PolarHBondContact O-N 3.25Å; K245-E248 PolarHBondContact O-N 3.03Å; K245-K249 WeakPolarHBondContact O-CB 3.36Å; K245-K249 WeakPolarHBondContact O-CG 3.4Å; K245-K249 PolarHBondContact O-N 3.08Å |
| 246 | L | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66 | -43.1 | 177.9 | -71.8 | 170.8 | 0 | 0 | 0 | 111.4 | I49 F180 I184 F190 F191 V242 H244 E248 K249 S250 I257 Y259 | I49-L246 HydrophobicContact CD1-CD1 3.6Å; I49-L246 HydrophobicContact CG1-CD1 3.54Å; F180-L246 HydrophobicContact CE2-CD1 4.29Å; F180-L246 HydrophobicContact CE2-CD2 4.2Å; F180-L246 HydrophobicContact CE2-CG 4.34Å; F180-L246 HydrophobicContact CZ-CD1 3.96Å; F180-L246 HydrophobicContact CZ-CD2 3.93Å; F180-L246 HydrophobicContact CZ-CG 3.73Å; I184-L246 HydrophobicContact CD1-CD2 3.98Å; I184-L246 HydrophobicContact CG1-CD2 4.28Å; F190-L246 HydrophobicContact CE1-CD2 3.63Å; F190-L246 HydrophobicContact CZ-CD2 3.92Å; F191-L246 HydrophobicContact CZ-CD2 4.17Å; V242-L246 HydrophobicContact CG1-CD1 4.14Å; V242-L246 WeakPolarHBondContact O-CG 3.39Å; V242-L246 PolarHBondContact O-N 3.41Å; V242-L246 VanDerWaalsContact O-N 3.12Å; H244-L246 PolarHBondContact O-N 3.12Å; L246-E248 VanDerWaalsContact C-N 3.27Å; L246-E248 PolarHBondContact O-N 2.88Å; L246-K249 PolarHBondContact O-N 3.16Å; L246-S250 WeakPolarHBondContact O-CB 3.27Å; L246-S250 PolarHBondContact O-N 3.28Å; L246-S250 PolarHBondContact O-OG 2.79Å; L246-I257 HydrophobicContact CB-CD1 4.01Å; L246-I257 HydrophobicContact CD1-CG2 4.49Å; L246-I257 HydrophobicContact CD2-CD1 4.45Å; L246-Y259 WeakPolarHBondContact CB-OH 3.38Å; L246-Y259 HydrophobicContact CD1-CE1 3.75Å |
| 247 | T | 94.7 | Very high | 94.8 | Very high | 36 Ų | 36 | 58.4 Ų | 58.4 | 22% | 0.221 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 176.9 | -59 | 0 | 0 | 0 | 0 | 112.1 | Y243 H244 S250 R251 | Y243-T247 WeakPolarHBondContact CE1-OG1 3.35Å; Y243-T247 VanDerWaalsContact CZ-OG1 3.3Å; Y243-T247 VanDerWaalsContact O-CB 3.3Å; Y243-T247 WeakPolarHBondContact O-CB 3.5Å; Y243-T247 PolarHBondContact O-N 3.36Å; Y243-T247 PolarHBondContact O-OG1 2.99Å; H244-T247 PolarHBondContact O-N 3.13Å; T247-S250 PolarHBondContact O-OG 3.39Å; T247-R251 WeakPolarHBondContact O-CG 3.37Å |
| 248 | E | 94.4 | Very high | 94.8 | Very high | 93 Ų | 93 | 55 Ų | 55 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.9 | -51.3 | 176.5 | -175.6 | -170 | 163.5 | 0 | 0 | 111.1 | H244 K245 L246 R251 | H244-E248 IonicContact CE1-OE2 3.82Å; H244-E248 IonicContact ND1-OE2 3.61Å; H244-E248 WeakPolarHBondContact O-CB 3.34Å; H244-E248 PolarHBondContact O-N 3.4Å; K245-E248 PolarHBondContact O-N 3.03Å; L246-E248 VanDerWaalsContact C-N 3.27Å; L246-E248 PolarHBondContact O-N 2.88Å; E248-R251 WeakPolarHBondContact O-CB 3.41Å; E248-R251 PolarHBondContact O-N 3.18Å |
| 249 | K | 92.3 | Very high | 95 | Very high | 75 Ų | 75 | 55.3 Ų | 55.3 | 33% | 0.326 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -77 | -24.5 | -173.8 | -66.6 | -82.4 | -172.9 | 162.9 | 0 | 113.7 | I184 D185 F191 K245 L246 R251 | I184-K249 HydrophobicContact CG2-CB 4.15Å; I184-K249 HydrophobicContact CG2-CD 4.45Å; I184-K249 HydrophobicContact CG2-CG 3.76Å; D185-K249 WeakPolarHBondContact OD1-CE 3.49Å; D185-K249 IonicContact OD1-NZ 3.53Å; D185-K249 PolarHBondContact OD1-NZ 3.5Å; F191-K249 HydrophobicContact CE2-CB 3.65Å; F191-K249 HydrophobicContact CZ-CB 3.94Å; K245-K249 WeakPolarHBondContact O-CB 3.36Å; K245-K249 WeakPolarHBondContact O-CG 3.4Å; K245-K249 PolarHBondContact O-N 3.08Å; L246-K249 PolarHBondContact O-N 3.16Å; K249-R251 VanDerWaalsContact C-N 3.28Å; K249-R251 PolarHBondContact O-N 3.4Å |
| 250 | S | 92.1 | Very high | 95 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -13.8 | 176.2 | 69 | 0 | 0 | 0 | 0 | 113.4 | L246 T247 G252 T253 S255 | L246-S250 WeakPolarHBondContact O-CB 3.27Å; L246-S250 PolarHBondContact O-N 3.28Å; L246-S250 PolarHBondContact O-OG 2.79Å; T247-S250 PolarHBondContact O-OG 3.39Å; S250-G252 PolarHBondContact O-N 2.83Å; S250-T253 WeakPolarHBondContact O-CB 3.45Å; S250-T253 PolarHBondContact O-N 3.4Å; S250-T253 PolarHBondContact O-OG1 3.47Å; S250-S255 WeakPolarHBondContact CB-OG 3.36Å |
| 251 | R | 90.3 | Very high | 95 | Very high | 191 Ų | 191 | 51.1 Ų | 51.1 | 72% | 0.721 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 125.9 | -178.7 | -78.7 | 168.3 | -175.7 | -172.4 | 1.2 | 110.6 | T247 E248 K249 T253 | T247-R251 WeakPolarHBondContact O-CG 3.37Å; E248-R251 WeakPolarHBondContact O-CB 3.41Å; E248-R251 PolarHBondContact O-N 3.18Å; K249-R251 VanDerWaalsContact C-N 3.28Å; K249-R251 PolarHBondContact O-N 3.4Å; R251-T253 VanDerWaalsContact C-N 3.3Å |
| 252 | G | 86.6 | Confident | 95 | Very high | 91 Ų | 91 | 48.1 Ų | 48.1 | 94% | 0.938 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 2.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S250 | S250-G252 PolarHBondContact O-N 2.83Š|
| 253 | T | 88.5 | Confident | 95 | Very high | 51 Ų | 51 | 48.1 Ų | 48.1 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -100.9 | 159.2 | 172.4 | 72.2 | 0 | 0 | 0 | 0 | 110.7 | F191 S250 R251 S255 | F191-T253 HydrophobicContact CB-CG2 4.36Å; S250-T253 WeakPolarHBondContact O-CB 3.45Å; S250-T253 PolarHBondContact O-N 3.4Å; S250-T253 PolarHBondContact O-OG1 3.47Å; R251-T253 VanDerWaalsContact C-N 3.3Å; T253-S255 PolarHBondContact O-N 3.3Å; T253-S255 VanDerWaalsContact O-N 3.13Å; T253-S255 WeakPolarHBondContact OG1-CB 3.27Å; T253-S255 PolarHBondContact OG1-N 3.11Å; T253-S255 PolarHBondContact OG1-OG 3.41Å |
| 254 | D | 89 | Confident | 94.9 | Very high | 139 Ų | 139 | 46 Ų | 46 | 74% | 0.743 | 24% | 0.241 | S | C | * | . | trans | -78.2 | 17 | 172 | -69.3 | -33.6 | 0 | 0 | 0 | 113.1 | L194 R256 | L194-D254 HydrophobicContact CD1-CB 4.36Å; D254-R256 PolarHBondContact O-N 2.91Å | ||
| 255 | S | 93.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 41.5 Ų | 41.5 | 14% | 0.14 | 22% | 0.22 | C | C | . | . | trans | -72.6 | 130.2 | -175.6 | 65 | 0 | 0 | 0 | 0 | 112.3 | S250 T253 | S250-S255 WeakPolarHBondContact CB-OG 3.36Å; T253-S255 PolarHBondContact O-N 3.3Å; T253-S255 VanDerWaalsContact O-N 3.13Å; T253-S255 WeakPolarHBondContact OG1-CB 3.27Å; T253-S255 PolarHBondContact OG1-N 3.11Å; T253-S255 PolarHBondContact OG1-OG 3.41Å | ||
| 256 | R | 95.7 | Very high | 94.7 | Very high | 98 Ų | 98 | 40.1 Ų | 40.1 | 37% | 0.37 | 21% | 0.214 | S | C | . | . | trans | -111.4 | 113.2 | 172.8 | -63.7 | -170.6 | -60.7 | -94.6 | 2.7 | 108 | A43 P44 T46 H47 D254 | A43-R256 PolarHBondContact O-NH2 2.85Å; P44-R256 WeakPolarHBondContact O-CD 3.31Å; P44-R256 PolarHBondContact O-NE 3.24Å; T46-R256 HydrophobicContact CG2-CB 4.41Å; T46-R256 PolarHBondContact N-O 3.04Å; T46-R256 PolarHBondContact OG1-N 3Å; T46-R256 PolarHBondContact OG1-O 3.23Å; H47-R256 PolarHBondContact N-O 2.81Å; H47-R256 VanDerWaalsContact N-O 3.11Å; D254-R256 PolarHBondContact O-N 2.91Å | ||
| 257 | I | 97.9 | Very high | 94.6 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 8% | 0.077 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.7 | -171.8 | -50.1 | -179.7 | 0 | 0 | 0 | 109.5 | H47 I49 F191 L246 Y259 G289 S290 | H47-I257 HydrophobicContact CB-CB 4.46Å; H47-I257 HydrophobicContact CB-CG1 4.16Å; H47-I257 HydrophobicContact CB-CG2 4.19Å; I49-I257 HydrophobicContact CD1-CG2 4.38Å; I49-I257 HydrophobicContact CG1-CG2 3.7Å; F191-I257 HydrophobicContact CE1-CD1 4.41Å; L246-I257 HydrophobicContact CB-CD1 4.01Å; L246-I257 HydrophobicContact CD1-CG2 4.49Å; L246-I257 HydrophobicContact CD2-CD1 4.45Å; I257-Y259 HydrophobicContact CB-CE2 4.17Å; I257-Y259 HydrophobicContact CG2-CD2 4.3Å; I257-Y259 HydrophobicContact CG2-CE1 4.15Å; I257-Y259 HydrophobicContact CG2-CE2 3.68Å; I257-G289 WeakPolarHBondContact O-CA 3.43Å; I257-S290 PolarHBondContact O-N 3.15Å |
| 258 | A | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 149.3 | 166 | 0 | 0 | 0 | 0 | 0 | 110.9 | T45 H47 I49 W288 I292 L339 | T45-A258 HydrophobicContact CG2-CB 3.58Å; H47-A258 PolarHBondContact O-N 2.74Å; I49-A258 PolarHBondContact N-O 3.15Å; A258-W288 WeakPolarHBondContact CA-O 3.32Å; A258-I292 HydrophobicContact CB-CG1 4.5Å; A258-L339 HydrophobicContact CB-CD1 4.07Å; A258-L339 HydrophobicContact CB-CD2 4.43Å |
| 259 | Y | 98.7 | Very high | 93.9 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132 | -179 | -56.8 | -97.9 | 0 | 0 | 0 | 108.6 | I49 M51 Y243 L246 I257 I287 W288 | I49-Y259 HydrophobicContact CB-CD1 3.79Å; I49-Y259 HydrophobicContact CB-CE1 4.25Å; I49-Y259 HydrophobicContact CB-CG 4.49Å; I49-Y259 HydrophobicContact CG1-CD1 3.97Å; I49-Y259 HydrophobicContact CG1-CE1 3.94Å; I49-Y259 HydrophobicContact CG2-CD1 4.18Å; I49-Y259 WeakPolarHBondContact O-CA 3.32Å; M51-Y259 HydrophobicContact CE-CD1 4.16Å; Y243-Y259 HydrophobicContact CD2-CD2 4.47Å; Y243-Y259 HydrophobicContact CD2-CE1 4.12Å; Y243-Y259 AromaticContact CD2-CE2 3.94Å; Y243-Y259 HydrophobicContact CD2-CE2 3.94Å; Y243-Y259 AromaticContact CD2-CZ 3.75Å; Y243-Y259 HydrophobicContact CE2-CE2 4.13Å; L246-Y259 WeakPolarHBondContact CB-OH 3.38Å; L246-Y259 HydrophobicContact CD1-CE1 3.75Å; I257-Y259 HydrophobicContact CB-CE2 4.17Å; I257-Y259 HydrophobicContact CG2-CD2 4.3Å; I257-Y259 HydrophobicContact CG2-CE1 4.15Å; I257-Y259 HydrophobicContact CG2-CE2 3.68Å; Y259-I287 WeakPolarHBondContact O-CA 3.2Å; Y259-I287 WeakPolarHBondContact O-CG2 3.2Å; Y259-W288 AromaticContact CD1-CZ2 3.93Å; Y259-W288 HydrophobicContact CD1-CZ2 3.93Å; Y259-W288 AromaticContact CD2-CD1 3.69Å; Y259-W288 HydrophobicContact CD2-CD2 4.34Å; Y259-W288 AromaticContact CD2-CE2 3.74Å; Y259-W288 HydrophobicContact CD2-CG 4.32Å; Y259-W288 HydrophobicContact CD2-CZ2 4.27Å; Y259-W288 AromaticContact CD2-NE1 3.28Å; Y259-W288 VanDerWaalsContact CD2-NE1 3.28Å; Y259-W288 AromaticContact CE2-NE1 3.88Å; Y259-W288 HydrophobicContact CG-CD2 4.21Å; Y259-W288 AromaticContact CG-CE2 3.52Å; Y259-W288 HydrophobicContact CG-CH2 4.36Å; Y259-W288 AromaticContact CG-CZ2 3.62Å; Y259-W288 HydrophobicContact CG-CZ2 3.62Å; Y259-W288 AromaticContact CG-NE1 3.57Å; Y259-W288 PolarHBondContact N-O 3.03Å; Y259-W288 PolarHBondContact O-N 2.76Å |
| 260 | I | 98.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120.2 | 173.8 | -62.1 | 166.9 | 0 | 0 | 0 | 106.2 | V48 I49 F50 M51 L285 I287 L332 L335 M336 L339 | V48-I260 HydrophobicContact CG1-CD1 4.22Å; I49-I260 PolarHBondContact O-N 2.84Å; F50-I260 HydrophobicContact CD2-CB 3.81Å; F50-I260 HydrophobicContact CD2-CG2 3.61Å; F50-I260 HydrophobicContact CE2-CB 4.38Å; F50-I260 HydrophobicContact CE2-CG2 3.66Å; M51-I260 PolarHBondContact N-O 3.18Å; I260-L285 HydrophobicContact CG2-CD1 4.4Å; I260-I287 HydrophobicContact CG1-CG1 4.25Å; I260-I287 HydrophobicContact CG1-CG2 3.92Å; I260-I287 HydrophobicContact CG2-CG1 4.24Å; I260-L332 HydrophobicContact CG2-CD2 4.16Å; I260-L335 HydrophobicContact CD1-CD2 4.23Å; I260-M336 HydrophobicContact CD1-CG 3.38Å; I260-M336 HydrophobicContact CD1-SD 4.13Å; I260-L339 HydrophobicContact CD1-CD1 4.11Å |
| 261 | F | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.3 | 175.2 | 172.8 | -98.1 | 0 | 0 | 0 | 109.4 | M51 L56 I61 L72 L235 V239 L285 L286 W288 | M51-F261 HydrophobicContact CB-CD2 4Å; M51-F261 HydrophobicContact CE-CB 4.49Å; M51-F261 WeakPolarHBondContact O-CA 3.36Å; L56-F261 HydrophobicContact CD2-CE1 4.07Å; L56-F261 HydrophobicContact CD2-CZ 3.62Å; I61-F261 HydrophobicContact CD1-CE1 4.01Å; I61-F261 HydrophobicContact CD1-CZ 4.2Å; L72-F261 HydrophobicContact CD1-CD1 4.47Å; L72-F261 HydrophobicContact CD1-CE1 3.93Å; L72-F261 HydrophobicContact CD1-CZ 4.2Å; L235-F261 HydrophobicContact CD1-CE2 4.01Å; L235-F261 HydrophobicContact CD1-CZ 4.37Å; L235-F261 HydrophobicContact CD2-CE2 4.21Å; L235-F261 HydrophobicContact CD2-CZ 3.72Å; L235-F261 HydrophobicContact CG-CE2 4.2Å; L235-F261 HydrophobicContact CG-CZ 4.11Å; V239-F261 HydrophobicContact CG2-CD2 3.96Å; V239-F261 HydrophobicContact CG2-CE2 3.97Å; F261-L285 WeakPolarHBondContact O-CA 3.16Å; F261-L286 HydrophobicContact CB-CB 4.29Å; F261-L286 HydrophobicContact CD1-CB 4.23Å; F261-L286 HydrophobicContact CD1-CD1 4.09Å; F261-L286 PolarHBondContact N-O 2.93Å; F261-L286 PolarHBondContact O-N 3.07Å; F261-W288 HydrophobicContact CB-CH2 4.29Å; F261-W288 HydrophobicContact CB-CZ3 3.93Å |
| 262 | T | 98.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | -172.6 | -179.1 | -161.5 | 0 | 0 | 0 | 0 | 112.4 | F50 M51 V52 S53 M100 P284 L332 | F50-T262 HydrophobicContact CE2-CG2 3.71Å; F50-T262 HydrophobicContact CZ-CG2 4.1Å; M51-T262 PolarHBondContact O-N 2.98Å; V52-T262 WeakPolarHBondContact CA-O 3.48Å; V52-T262 HydrophobicContact CG2-CG2 4.11Å; S53-T262 PolarHBondContact N-O 3.38Å; M100-T262 HydrophobicContact SD-CG2 3.84Å; T262-P284 WeakPolarHBondContact CA-O 3.28Å; T262-P284 WeakPolarHBondContact CB-O 3.21Å; T262-P284 PolarHBondContact OG1-O 3.32Å; T262-L332 HydrophobicContact CG2-CD1 4.05Å |
| 263 | S | 98 | Very high | 93 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -123.2 | 155.9 | 168.4 | -162.5 | 0 | 0 | 0 | 0 | 109.9 | S53 L56 H265 T283 | S53-S263 WeakPolarHBondContact O-CB 3.42Å; S53-S263 PolarHBondContact O-OG 2.82Å; L56-S263 WeakPolarHBondContact CB-OG 3.38Å; L56-S263 PolarHBondContact N-OG 2.96Å; L56-S263 WeakPolarHBondContact O-CB 3.39Å; L56-S263 PolarHBondContact O-OG 3.4Å; S263-H265 PolarHBondContact OG-O 3.21Å; S263-T283 PolarHBondContact O-OG1 2.83Å | ||
| 264 | D | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -81.9 | -37.1 | 173.8 | 64 | -20.7 | 0 | 0 | 0 | 112.1 | V52 D54 G55 T87 S93 A96 H97 M100 Q329 | V52-D264 HydrophobicContact CG1-CB 3.99Å; D54-D264 VanDerWaalsContact CA-OD1 3.27Å; D54-D264 WeakPolarHBondContact CA-OD1 3.32Å; D54-D264 VanDerWaalsContact CG-OD2 3.24Å; G55-D264 PolarHBondContact N-OD1 3.44Å; T87-D264 WeakPolarHBondContact CB-O 3.44Å; T87-D264 PolarHBondContact OG1-O 2.89Å; S93-D264 WeakPolarHBondContact CA-OD2 3.5Å; S93-D264 WeakPolarHBondContact CB-OD2 3.08Å; A96-D264 HydrophobicContact CB-CB 3.62Å; A96-D264 VanDerWaalsContact CB-O 3.22Å; A96-D264 WeakPolarHBondContact CB-O 3.46Å; H97-D264 IonicContact CE1-OD2 2.7Å; H97-D264 PolarHBondContact CE1-OD2 3.03Å; H97-D264 IonicContact ND1-OD2 2.66Å; M100-D264 HydrophobicContact CE-CB 3.55Å; D264-Q329 PolarHBondContact O-NE2 3.47Å |
| 265 | H | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -152.5 | 170.3 | 166.5 | 56.8 | 81 | 0 | 0 | 0 | 111.1 | D54 G55 L56 T87 T91 D215 S263 H273 T283 | D54-H265 IonicContact OD1-CE1 3.29Å; D54-H265 IonicContact OD1-NE2 2.95Å; D54-H265 PolarHBondContact OD1-NE2 2.99Å; G55-H265 CarbonylContact C-O 3.58Å; G55-H265 WeakPolarHBondContact CA-O 2.99Å; L56-H265 PolarHBondContact N-O 3.23Å; T87-H265 HydrophobicContact CG2-CB 4.27Å; T91-H265 HydrophobicContact CG2-CB 4.27Å; T91-H265 PolarHBondContact O-CD2 3.25Å; D215-H265 IonicContact OD1-CE1 2.71Å; S263-H265 PolarHBondContact OG-O 3.21Å; H265-H273 AromaticContact CE1-CD2 3.51Å; H265-H273 AromaticContact CE1-CE1 3.53Å; H265-H273 AromaticContact CE1-CG 3.38Å; H265-H273 AromaticContact CE1-ND1 3.37Å; H265-H273 PolarHBondContact CE1-ND1 2.64Å; H265-H273 AromaticContact CE1-NE2 3.68Å; H265-H273 AromaticContact ND1-CG 3.66Å; H265-H273 AromaticContact ND1-ND1 3.89Å; H265-H273 AromaticContact NE2-CE1 3.59Å; H265-H273 AromaticContact NE2-ND1 3.53Å; H265-T283 VanDerWaalsContact CA-CG2 3.46Å | ||
| 266 | G | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -101.9 | -151.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | H279 E280 | G266-H279 CarbonylContact C-O 3.4Å; G266-H279 WeakPolarHBondContact CA-O 3.31Å; G266-E280 PolarHBondContact N-O 2.99Å | ||
| 267 | M | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -158.3 | 159.7 | -179.9 | 58.4 | 175.3 | 74.2 | 0 | 0 | 111.9 | G55 R57 G218 P223 Y228 S272 H273 H279 | G55-M267 WeakPolarHBondContact O-CE 3.46Å; R57-M267 VanDerWaalsContact CD-O 3.3Å; R57-M267 WeakPolarHBondContact CD-O 3.33Å; R57-M267 HydrophobicContact CG-CG 3.94Å; G218-M267 WeakPolarHBondContact CA-SD 3.33Å; P223-M267 HydrophobicContact CG-CG 3.71Å; P223-M267 HydrophobicContact CG-SD 3.6Å; P223-M267 VanDerWaalsContact CG-SD 3.6Å; Y228-M267 HydrophobicContact CE2-CE 4.49Å; Y228-M267 HydrophobicContact CE2-SD 4.43Å; M267-S272 WeakPolarHBondContact CA-O 3.35Å; M267-H273 HydrophobicContact CB-CB 4.49Å; M267-H279 PolarHBondContact N-O 2.86Å; M267-H279 VanDerWaalsContact O-CB 3.27Å; M267-H279 WeakPolarHBondContact O-CB 3.31Å | ||
| 268 | T | 90.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | trans | -65.6 | 168.3 | 175 | 67 | 0 | 0 | 0 | 0 | 112.4 | W270 G271 S272 E280 | T268-W270 HydrophobicContact CG2-CH2 4.07Å; T268-W270 HydrophobicContact CG2-CZ2 3.75Å; T268-W270 PolarHBondContact O-N 3.48Å; T268-W270 VanDerWaalsContact OG1-CE2 3.24Å; T268-W270 PolarHBondContact OG1-NE1 2.87Å; T268-G271 PolarHBondContact O-N 3.44Å; T268-S272 WeakPolarHBondContact CG2-O 2.86Å; T268-S272 PolarHBondContact N-O 3.3Å; T268-S272 PolarHBondContact OG1-N 3.5Å; T268-S272 VanDerWaalsContact OG1-N 3.11Å; T268-S272 PolarHBondContact OG1-O 3.25Å; T268-E280 HydrophobicContact CG2-CG 4.26Å; T268-E280 VanDerWaalsContact CG2-OE1 3.31Å; T268-E280 WeakPolarHBondContact CG2-OE1 3.41Å | ||
| 269 | E | 85.5 | Confident | 91 | Very high | 113 Ų | 113 | 33 Ų | 33 | 53% | 0.528 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29.2 | 175.2 | -64.7 | -178.3 | 168.3 | 0 | 0 | 113.3 | P223 G271 | P223-E269 WeakPolarHBondContact CD-O 3.38Å; E269-G271 VanDerWaalsContact C-N 3.3Å |
| 270 | W | 83.5 | Confident | 90.7 | Very high | 168 Ų | 168 | 33 Ų | 33 | 64% | 0.636 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 16.8 | 175.1 | 63.6 | 83.8 | 0 | 0 | 0 | 113 | K222 T268 | K222-W270 VanDerWaalsContact CD-O 3.31Å; K222-W270 WeakPolarHBondContact CD-O 3.39Å; K222-W270 WeakPolarHBondContact CE-O 3.32Å; K222-W270 PolarHBondContact NZ-O 3.33Å; T268-W270 HydrophobicContact CG2-CH2 4.07Å; T268-W270 HydrophobicContact CG2-CZ2 3.75Å; T268-W270 PolarHBondContact O-N 3.48Å; T268-W270 VanDerWaalsContact OG1-CE2 3.24Å; T268-W270 PolarHBondContact OG1-NE1 2.87Å |
| 271 | G | 83.8 | Confident | 90.5 | Very high | 5 Ų | 5 | 34 Ų | 34 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 66.3 | 53.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G218 H219 T268 E269 | G218-G271 WeakPolarHBondContact O-CA 3.48Å; H219-G271 PolarHBondContact ND1-O 2.68Å; T268-G271 PolarHBondContact O-N 3.44Å; E269-G271 VanDerWaalsContact C-N 3.3Å |
| 272 | S | 85.9 | Confident | 90.3 | Very high | 50 Ų | 50 | 34.1 Ų | 34.1 | 35% | 0.35 | 18% | 0.184 | S | C | . | . | trans | -132 | 152.6 | 174.1 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | M267 T268 | M267-S272 WeakPolarHBondContact CA-O 3.35Å; T268-S272 WeakPolarHBondContact CG2-O 2.86Å; T268-S272 PolarHBondContact N-O 3.3Å; T268-S272 PolarHBondContact OG1-N 3.5Å; T268-S272 VanDerWaalsContact OG1-N 3.11Å; T268-S272 PolarHBondContact OG1-O 3.25Å | ||
| 273 | H | 88.5 | Confident | 90.2 | Very high | 31 Ų | 31 | 34.1 Ų | 34.1 | 14% | 0.144 | 18% | 0.184 | C | C | . | . | trans | -143.8 | -173 | 171.9 | 62.5 | 87.3 | 0 | 0 | 0 | 110.4 | T91 E92 D215 H219 H265 M267 E280 | T91-H273 PolarHBondContact O-ND1 3.47Å; E92-H273 IonicContact OE2-CE1 3.84Å; E92-H273 PolarHBondContact OE2-CE1 3.47Å; E92-H273 IonicContact OE2-ND1 3.41Å; D215-H273 IonicContact OD1-CD2 2.76Å; D215-H273 IonicContact OD1-NE2 3.93Å; D215-H273 IonicContact OD2-NE2 3.03Å; H219-H273 AromaticContact CE1-CD2 3.24Å; H219-H273 PolarHBondContact CE1-CD2 3.24Å; H219-H273 AromaticContact CE1-NE2 3.21Å; H219-H273 PolarHBondContact CE1-NE2 3.31Å; H219-H273 AromaticContact NE2-CD2 3.36Å; H219-H273 PolarHBondContact NE2-CD2 2.99Å; H219-H273 AromaticContact NE2-NE2 3.02Å; H219-H273 PolarHBondContact NE2-NE2 3.45Å; H265-H273 AromaticContact CE1-CD2 3.51Å; H265-H273 AromaticContact CE1-CE1 3.53Å; H265-H273 AromaticContact CE1-CG 3.38Å; H265-H273 AromaticContact CE1-ND1 3.37Å; H265-H273 PolarHBondContact CE1-ND1 2.64Å; H265-H273 AromaticContact CE1-NE2 3.68Å; H265-H273 AromaticContact ND1-CG 3.66Å; H265-H273 AromaticContact ND1-ND1 3.89Å; H265-H273 AromaticContact NE2-CE1 3.59Å; H265-H273 AromaticContact NE2-ND1 3.53Å; M267-H273 HydrophobicContact CB-CB 4.49Å; H273-E280 VanDerWaalsContact CA-OE2 3.27Å; H273-E280 WeakPolarHBondContact CA-OE2 3.24Å; H273-E280 HydrophobicContact CB-CG 4.16Å | ||
| 274 | G | 84.1 | Confident | 90.1 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 9% | 0.093 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 105.9 | -8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T91 E92 E280 S929 | T91-G274 PolarHBondContact O-N 3.09Å; T91-G274 VanDerWaalsContact O-N 3.15Å; T91-G274 VanDerWaalsContact OG1-C 3.25Å; T91-G274 VanDerWaalsContact OG1-CA 3.23Å; T91-G274 WeakPolarHBondContact OG1-CA 3.25Å; T91-G274 PolarHBondContact OG1-N 3.25Å; E92-G274 VanDerWaalsContact OE1-CA 3.23Å; E92-G274 WeakPolarHBondContact OE1-CA 3.35Å; G274-E280 PolarHBondContact N-OE2 3.46Å; G274-S929 VanDerWaalsContact O-CB 3.22Å; G274-S929 WeakPolarHBondContact O-CB 3.31Å |
| 275 | S | 84.2 | Confident | 90.1 | Very high | 58 Ų | 58 | 34.2 Ų | 34.2 | 41% | 0.406 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -113 | -166.9 | -177.7 | -163.4 | 0 | 0 | 0 | 0 | 112.1 | T91 E280 | T91-S275 WeakPolarHBondContact CG2-O 3.15Å; T91-S275 PolarHBondContact OG1-N 2.88Å; T91-S275 VanDerWaalsContact OG1-N 3.09Å; T91-S275 PolarHBondContact OG1-O 2.77Å; S275-E280 VanDerWaalsContact C-OE2 3.29Å; S275-E280 VanDerWaalsContact CA-OE2 3.26Å; S275-E280 WeakPolarHBondContact CA-OE2 3.44Å; S275-E280 WeakPolarHBondContact CB-OE2 3.13Å; S275-E280 PolarHBondContact N-OE2 3.33Å |
| 276 | G | 85 | Confident | 90.2 | Very high | 39 Ų | 39 | 34.2 Ų | 34.2 | 40% | 0.402 | 18% | 0.184 | S | C | . | . | trans | -109.8 | 25.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V89 | V89-G276 VanDerWaalsContact CG2-CA 3.45Š| ||
| 277 | S | 88.9 | Confident | 90.4 | Very high | 41 Ų | 41 | 34.2 Ų | 34.2 | 29% | 0.287 | 18% | 0.184 | S | C | . | . | trans | -69.2 | 151.5 | 174.9 | 80.6 | 0 | 0 | 0 | 0 | 111 | H279 E280 T281 | S277-H279 PolarHBondContact O-N 3.32Å; S277-E280 WeakPolarHBondContact CB-OE1 3.41Å; S277-E280 PolarHBondContact N-OE1 2.9Å; S277-E280 WeakPolarHBondContact O-CA 3.33Å; S277-E280 WeakPolarHBondContact O-CB 3.41Å; S277-E280 PolarHBondContact O-N 3.39Å; S277-E280 VanDerWaalsContact OG-CD 3.3Å; S277-E280 VanDerWaalsContact OG-CG 3.32Å; S277-E280 WeakPolarHBondContact OG-CG 3.33Å; S277-E280 PolarHBondContact OG-OE1 3.36Å; S277-T281 PolarHBondContact O-N 3.29Å; S277-T281 PolarHBondContact O-OG1 3.39Å | ||
| 278 | F | 89.6 | Confident | 90.6 | Very high | 110 Ų | 110 | 34.5 Ų | 34.5 | 48% | 0.482 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58.9 | -35.2 | -178.9 | -61.7 | -51.9 | 0 | 0 | 0 | 113 | E280 T281 V282 Y313 | F278-E280 PolarHBondContact O-N 3.31Å; F278-T281 PolarHBondContact O-N 2.95Å; F278-V282 WeakPolarHBondContact O-CB 3.22Å; F278-V282 WeakPolarHBondContact O-CG2 3.35Å; F278-V282 PolarHBondContact O-N 3.26Å; F278-Y313 HydrophobicContact CB-CD1 4.08Å; F278-Y313 AromaticContact CD1-CD1 3.9Å; F278-Y313 HydrophobicContact CD1-CD1 3.9Å; F278-Y313 AromaticContact CD1-CE1 3.82Å; F278-Y313 HydrophobicContact CD1-CE1 3.82Å; F278-Y313 HydrophobicContact CE1-CE1 4.17Å; F278-Y313 HydrophobicContact CG-CD1 4.02Å; F278-Y313 HydrophobicContact CG-CE1 4.4Å |
| 279 | H | 90.1 | Very high | 91 | Very high | 55 Ų | 55 | 35.8 Ų | 35.8 | 26% | 0.255 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.2 | -20.8 | 176.3 | -63.9 | -59.2 | 0 | 0 | 0 | 113.3 | R57 D59 G266 M267 S277 | R57-H279 PolarHBondContact NH2-ND1 2.91Å; D59-H279 IonicContact OD1-ND1 3.47Å; G266-H279 CarbonylContact C-O 3.4Å; G266-H279 WeakPolarHBondContact CA-O 3.31Å; M267-H279 PolarHBondContact N-O 2.86Å; M267-H279 VanDerWaalsContact O-CB 3.27Å; M267-H279 WeakPolarHBondContact O-CB 3.31Å; S277-H279 PolarHBondContact O-N 3.32Å |
| 280 | E | 92.7 | Very high | 91.5 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -88.4 | -39.6 | 173.5 | -65.1 | 164.1 | -107.9 | 0 | 0 | 111.2 | T87 T91 G266 T268 H273 G274 S275 S277 F278 | T87-E280 WeakPolarHBondContact CG2-O 3.35Å; T91-E280 HydrophobicContact CG2-CB 3.94Å; T91-E280 PolarHBondContact OG1-OE2 3.4Å; T91-E280 VanDerWaalsContact OG1-OE2 3.14Å; G266-E280 PolarHBondContact N-O 2.99Å; T268-E280 HydrophobicContact CG2-CG 4.26Å; T268-E280 VanDerWaalsContact CG2-OE1 3.31Å; T268-E280 WeakPolarHBondContact CG2-OE1 3.41Å; H273-E280 VanDerWaalsContact CA-OE2 3.27Å; H273-E280 WeakPolarHBondContact CA-OE2 3.24Å; H273-E280 HydrophobicContact CB-CG 4.16Å; G274-E280 PolarHBondContact N-OE2 3.46Å; S275-E280 VanDerWaalsContact C-OE2 3.29Å; S275-E280 VanDerWaalsContact CA-OE2 3.26Å; S275-E280 WeakPolarHBondContact CA-OE2 3.44Å; S275-E280 WeakPolarHBondContact CB-OE2 3.13Å; S275-E280 PolarHBondContact N-OE2 3.33Å; S277-E280 WeakPolarHBondContact CB-OE1 3.41Å; S277-E280 PolarHBondContact N-OE1 2.9Å; S277-E280 WeakPolarHBondContact O-CA 3.33Å; S277-E280 WeakPolarHBondContact O-CB 3.41Å; S277-E280 PolarHBondContact O-N 3.39Å; S277-E280 VanDerWaalsContact OG-CD 3.3Å; S277-E280 VanDerWaalsContact OG-CG 3.32Å; S277-E280 WeakPolarHBondContact OG-CG 3.33Å; S277-E280 PolarHBondContact OG-OE1 3.36Å; F278-E280 PolarHBondContact O-N 3.31Å |
| 281 | T | 93.6 | Very high | 92.1 | Very high | 21 Ų | 21 | 24.9 Ų | 24.9 | 13% | 0.129 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -88.8 | -16.7 | -170.7 | 61.3 | 0 | 0 | 0 | 0 | 115.2 | H86 T87 V89 T91 S277 F278 | H86-T281 WeakPolarHBondContact CA-O 3.46Å; T87-T281 VanDerWaalsContact CG2-CA 3.48Å; T87-T281 WeakPolarHBondContact CG2-O 3.38Å; T87-T281 PolarHBondContact N-O 2.9Å; V89-T281 HydrophobicContact CG2-CG2 4.25Å; T91-T281 HydrophobicContact CG2-CG2 3.92Å; S277-T281 PolarHBondContact O-N 3.29Å; S277-T281 PolarHBondContact O-OG1 3.39Å; F278-T281 PolarHBondContact O-N 2.95Å |
| 282 | V | 94.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 109.7 | -179 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | V84 F278 Y313 L315 | V84-V282 HydrophobicContact CB-CG1 3.75Å; V84-V282 HydrophobicContact CG1-CG1 3.69Å; V84-V282 HydrophobicContact CG2-CG1 4.22Å; F278-V282 WeakPolarHBondContact O-CB 3.22Å; F278-V282 WeakPolarHBondContact O-CG2 3.35Å; F278-V282 PolarHBondContact O-N 3.26Å; V282-Y313 HydrophobicContact CG1-CD2 4.32Å; V282-Y313 HydrophobicContact CG1-CG 4.35Å; V282-Y313 HydrophobicContact CG2-CD1 3.66Å; V282-Y313 HydrophobicContact CG2-CD2 4.25Å; V282-Y313 HydrophobicContact CG2-CE1 3.88Å; V282-Y313 HydrophobicContact CG2-CE2 4.46Å; V282-Y313 HydrophobicContact CG2-CG 3.87Å; V282-L315 HydrophobicContact CG1-CD1 3.81Å |
| 283 | T | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 151.3 | -175.1 | 58.6 | 0 | 0 | 0 | 0 | 111.5 | V84 S85 T87 S263 H265 | V84-T283 CarbonylContact C-O 3.51Å; V84-T283 WeakPolarHBondContact CA-O 3.38Å; S85-T283 VanDerWaalsContact CB-OG1 3.29Å; S85-T283 WeakPolarHBondContact CB-OG1 3.27Å; S85-T283 PolarHBondContact N-O 3.04Å; S85-T283 PolarHBondContact O-N 2.83Å; S85-T283 PolarHBondContact O-OG1 3.31Å; T87-T283 HydrophobicContact CG2-CG2 4.13Å; S263-T283 PolarHBondContact O-OG1 2.83Å; H265-T283 VanDerWaalsContact CA-CG2 3.46Å |
| 284 | P | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 151.6 | 178.9 | 27.5 | -31.7 | 0 | 0 | 0 | 111.6 | L56 A58 I61 F62 T262 | L56-P284 HydrophobicContact CD2-CG 3.71Å; L56-P284 HydrophobicContact CG-CG 3.96Å; L56-P284 WeakPolarHBondContact O-CD 3.43Å; A58-P284 HydrophobicContact CB-CB 4.28Å; I61-P284 HydrophobicContact CD1-CB 4.39Å; I61-P284 HydrophobicContact CD1-CG 4.07Å; F62-P284 HydrophobicContact CD2-CB 4.17Å; F62-P284 HydrophobicContact CE2-CB 3.49Å; F62-P284 VanDerWaalsContact CE2-CB 3.49Å; F62-P284 HydrophobicContact CZ-CB 3.99Å; T262-P284 WeakPolarHBondContact CA-O 3.28Å; T262-P284 WeakPolarHBondContact CB-O 3.21Å; T262-P284 PolarHBondContact OG1-O 3.32Å |
| 285 | L | 97.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 127 | 174.5 | -176.5 | 69.5 | 0 | 0 | 0 | 111.2 | W82 G83 I260 F261 I287 I327 L332 F356 | W82-L285 CarbonylContact C-O 3.47Å; W82-L285 WeakPolarHBondContact CA-O 3.4Å; G83-L285 PolarHBondContact N-O 3.19Å; G83-L285 PolarHBondContact O-N 3.36Å; I260-L285 HydrophobicContact CG2-CD1 4.4Å; F261-L285 WeakPolarHBondContact O-CA 3.16Å; L285-I287 HydrophobicContact CD1-CD1 3.79Å; L285-I287 HydrophobicContact CD1-CG1 3.8Å; L285-I287 HydrophobicContact CD2-CD1 3.73Å; L285-I287 HydrophobicContact CD2-CG1 4.4Å; L285-I287 HydrophobicContact CG-CD1 3.82Å; L285-I287 HydrophobicContact CG-CG1 3.94Å; L285-I327 HydrophobicContact CD2-CB 4.33Å; L285-I327 HydrophobicContact CD2-CG2 3.49Å; L285-I327 VanDerWaalsContact CD2-CG2 3.49Å; L285-L332 HydrophobicContact CD1-CD2 3.99Å; L285-F356 HydrophobicContact CD2-CE1 3.84Å; L285-F356 HydrophobicContact CD2-CZ 4.24Å |
| 286 | L | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 126.9 | 168.7 | -72.6 | 166.6 | 0 | 0 | 0 | 109.1 | F62 L72 L76 L81 W82 F261 W288 | F62-L286 HydrophobicContact CE1-CD1 4.37Å; F62-L286 HydrophobicContact CE1-CD2 4.13Å; F62-L286 HydrophobicContact CE1-CG 4.17Å; F62-L286 HydrophobicContact CZ-CD2 4.37Å; F62-L286 HydrophobicContact CZ-CG 4.13Å; L72-L286 HydrophobicContact CB-CD1 3.8Å; L72-L286 HydrophobicContact CD1-CD1 4.28Å; L72-L286 HydrophobicContact CD2-CD1 3.89Å; L72-L286 HydrophobicContact CG-CD1 4.2Å; L76-L286 HydrophobicContact CB-CD2 4.02Å; L81-L286 WeakPolarHBondContact O-CA 3.36Å; W82-L286 HydrophobicContact CB-CD2 3.51Å; F261-L286 HydrophobicContact CB-CB 4.29Å; F261-L286 HydrophobicContact CD1-CB 4.23Å; F261-L286 HydrophobicContact CD1-CD1 4.09Å; F261-L286 PolarHBondContact N-O 2.93Å; F261-L286 PolarHBondContact O-N 3.07Å; L286-W288 HydrophobicContact CB-CE3 4.4Å; L286-W288 HydrophobicContact CB-CZ3 4.17Å |
| 287 | I | 98.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 128.1 | -179 | -53.9 | 163.9 | 0 | 0 | 0 | 109.1 | G80 L81 Y259 I260 L285 I292 L335 F356 | G80-I287 CarbonylContact C-O 3.49Å; G80-I287 WeakPolarHBondContact CA-O 3.34Å; L81-I287 PolarHBondContact N-O 3.33Å; L81-I287 PolarHBondContact O-N 3.26Å; Y259-I287 WeakPolarHBondContact O-CA 3.2Å; Y259-I287 WeakPolarHBondContact O-CG2 3.2Å; I260-I287 HydrophobicContact CG1-CG1 4.25Å; I260-I287 HydrophobicContact CG1-CG2 3.92Å; I260-I287 HydrophobicContact CG2-CG1 4.24Å; L285-I287 HydrophobicContact CD1-CD1 3.79Å; L285-I287 HydrophobicContact CD1-CG1 3.8Å; L285-I287 HydrophobicContact CD2-CD1 3.73Å; L285-I287 HydrophobicContact CD2-CG1 4.4Å; L285-I287 HydrophobicContact CG-CD1 3.82Å; L285-I287 HydrophobicContact CG-CG1 3.94Å; I287-I292 HydrophobicContact CB-CG2 4.46Å; I287-I292 HydrophobicContact CG2-CB 4.49Å; I287-I292 HydrophobicContact CG2-CD1 3.44Å; I287-I292 VanDerWaalsContact CG2-CD1 3.44Å; I287-I292 HydrophobicContact CG2-CG1 3.71Å; I287-I292 HydrophobicContact CG2-CG2 3.98Å; I287-L335 HydrophobicContact CD1-CD2 3.64Å; I287-F356 HydrophobicContact CD1-CD1 3.56Å; I287-F356 HydrophobicContact CD1-CE1 3.74Å |
| 288 | W | 98.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 172.8 | -179.2 | 72.2 | 100 | 0 | 0 | 0 | 112.5 | M51 V75 R79 V239 Y243 A258 Y259 F261 L286 | M51-W288 HydrophobicContact CE-CH2 3.76Å; M51-W288 HydrophobicContact CE-CZ2 4.27Å; V75-W288 HydrophobicContact CG1-CB 4.1Å; V75-W288 HydrophobicContact CG1-CD2 3.58Å; V75-W288 HydrophobicContact CG1-CE3 3.47Å; V75-W288 VanDerWaalsContact CG1-CE3 3.47Å; V75-W288 HydrophobicContact CG1-CG 3.89Å; V75-W288 HydrophobicContact CG1-CZ3 4.1Å; V75-W288 HydrophobicContact CG2-CD2 4.35Å; V75-W288 HydrophobicContact CG2-CZ2 4.44Å; R79-W288 HydrophobicContact CB-CB 4.28Å; V239-W288 HydrophobicContact CG1-CH2 3.93Å; V239-W288 HydrophobicContact CG1-CZ2 4.38Å; Y243-W288 HydrophobicContact CD2-CZ2 4.43Å; Y243-W288 AromaticContact CD2-NE1 3.44Å; Y243-W288 AromaticContact CE2-NE1 3.6Å; A258-W288 WeakPolarHBondContact CA-O 3.32Å; Y259-W288 AromaticContact CD1-CZ2 3.93Å; Y259-W288 HydrophobicContact CD1-CZ2 3.93Å; Y259-W288 AromaticContact CD2-CD1 3.69Å; Y259-W288 HydrophobicContact CD2-CD2 4.34Å; Y259-W288 AromaticContact CD2-CE2 3.74Å; Y259-W288 HydrophobicContact CD2-CG 4.32Å; Y259-W288 HydrophobicContact CD2-CZ2 4.27Å; Y259-W288 AromaticContact CD2-NE1 3.28Å; Y259-W288 VanDerWaalsContact CD2-NE1 3.28Å; Y259-W288 AromaticContact CE2-NE1 3.88Å; Y259-W288 HydrophobicContact CG-CD2 4.21Å; Y259-W288 AromaticContact CG-CE2 3.52Å; Y259-W288 HydrophobicContact CG-CH2 4.36Å; Y259-W288 AromaticContact CG-CZ2 3.62Å; Y259-W288 HydrophobicContact CG-CZ2 3.62Å; Y259-W288 AromaticContact CG-NE1 3.57Å; Y259-W288 PolarHBondContact N-O 3.03Å; Y259-W288 PolarHBondContact O-N 2.76Å; F261-W288 HydrophobicContact CB-CH2 4.29Å; F261-W288 HydrophobicContact CB-CZ3 3.93Å; L286-W288 HydrophobicContact CB-CE3 4.4Å; L286-W288 HydrophobicContact CB-CZ3 4.17Å |
| 289 | G | 97.4 | Very high | 92.5 | Very high | 35 Ų | 35 | 31.5 Ų | 31.5 | 36% | 0.361 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 101.1 | -155.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I257 I292 | I257-G289 WeakPolarHBondContact O-CA 3.43Å; G289-I292 PolarHBondContact O-N 3.33Å |
| 290 | S | 96.8 | Very high | 91 | Very high | 39 Ų | 39 | 35.2 Ų | 35.2 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | 142.2 | -172.5 | -161.2 | 0 | 0 | 0 | 0 | 112 | P44 T45 I257 I292 | P44-S290 PolarHBondContact O-OG 2.97Å; T45-S290 WeakPolarHBondContact CG2-O 3.45Å; I257-S290 PolarHBondContact O-N 3.15Å; S290-I292 PolarHBondContact O-N 3.07Å |
| 291 | G | 95.9 | Very high | 89.2 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 12% | 0.124 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | 0.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L357 K358 | G291-L357 CarbonylContact O-C 3.57Å; G291-L357 WeakPolarHBondContact O-CA 3.27Å; G291-K358 PolarHBondContact O-N 3.1Å |
| 292 | I | 97.4 | Very high | 87.1 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -103.2 | 143.1 | -178.2 | -61.2 | -65.3 | 0 | 0 | 0 | 110.9 | L81 A258 I287 G289 S290 L339 F356 K358 | L81-I292 HydrophobicContact CD1-CG2 4.36Å; L81-I292 HydrophobicContact CG-CG2 4.43Å; A258-I292 HydrophobicContact CB-CG1 4.5Å; I287-I292 HydrophobicContact CB-CG2 4.46Å; I287-I292 HydrophobicContact CG2-CB 4.49Å; I287-I292 HydrophobicContact CG2-CD1 3.44Å; I287-I292 VanDerWaalsContact CG2-CD1 3.44Å; I287-I292 HydrophobicContact CG2-CG1 3.71Å; I287-I292 HydrophobicContact CG2-CG2 3.98Å; G289-I292 PolarHBondContact O-N 3.33Å; S290-I292 PolarHBondContact O-N 3.07Å; I292-L339 HydrophobicContact CD1-CD1 4.1Å; I292-L339 HydrophobicContact CD1-CD2 3.73Å; I292-L339 HydrophobicContact CD1-CG 4.45Å; I292-L339 HydrophobicContact CG1-CD2 4.23Å; I292-F356 WeakPolarHBondContact CA-O 3.23Å; I292-K358 WeakPolarHBondContact O-CB 3.47Å |
| 293 | V | 94.4 | Very high | 84.9 | Confident | 35 Ų | 35 | 48.6 Ų | 48.6 | 21% | 0.212 | 29% | 0.293 | C | S | . | . | trans | -65.7 | 134.9 | 171.5 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | L81 V296 F356 K358 | L81-V293 HydrophobicContact CD1-CB 4.17Å; L81-V293 HydrophobicContact CD2-CB 4.39Å; L81-V293 HydrophobicContact CD2-CG1 4.36Å; L81-V293 HydrophobicContact CG-CB 4.47Å; L81-V293 VanDerWaalsContact CG-O 3.3Å; L81-V293 WeakPolarHBondContact CG-O 3.09Å; V293-V296 HydrophobicContact CG1-CG2 4.09Å; V293-F356 PolarHBondContact N-O 3.17Å; V293-K358 HydrophobicContact CG2-CB 4.17Å | ||
| 294 | G | 91.6 | Very high | 82.7 | Confident | 29 Ų | 29 | 55.9 Ų | 55.9 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | trans | -69.4 | -176.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L81 V296 | L81-G294 WeakPolarHBondContact CD2-O 3.46Å; G294-V296 PolarHBondContact O-N 3.22Å | ||
| 295 | P | 91.6 | Very high | 80.7 | Confident | 43 Ų | 43 | 59 Ų | 59 | 28% | 0.279 | 35% | 0.348 | S | S | . | . | trans | -57.7 | 134.5 | 174.1 | 24.6 | -33.7 | 0 | 0 | 0 | 110.8 | G80 | G80-P295 WeakPolarHBondContact O-CA 3.19Š| ||
| 296 | V | 87.7 | Confident | 78.2 | Confident | 47 Ų | 47 | 64.3 Ų | 64.3 | 29% | 0.285 | 39% | 0.385 | S | S | . | . | trans | -107.3 | 115 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | L81 V293 G294 R322 L323 | L81-V296 HydrophobicContact CD2-CG2 4.34Å; V293-V296 HydrophobicContact CG1-CG2 4.09Å; G294-V296 PolarHBondContact O-N 3.22Å; V296-R322 WeakPolarHBondContact O-CA 3.17Å; V296-L323 HydrophobicContact CB-CB 4.3Å; V296-L323 HydrophobicContact CG1-CB 4.42Å; V296-L323 HydrophobicContact CG1-CD2 4.33Å; V296-L323 PolarHBondContact O-N 3.26Å | ||
| 297 | E | 86.8 | Confident | 76 | Confident | 126 Ų | 126 | 65.8 Ų | 65.8 | 59% | 0.589 | 40% | 0.4 | S | S | * | . | B | Isolated β-bridge | trans | -77.6 | 138.6 | 175 | -57.8 | -164.5 | 151.5 | 0 | 0 | 110.4 | R322 | E297-R322 IonicContact OE1-CZ 3.16Å; E297-R322 IonicContact OE1-NH1 3.06Å; E297-R322 PolarHBondContact OE1-NH1 3.18Å; E297-R322 IonicContact OE1-NH2 3.53Å; E297-R322 PolarHBondContact OE1-NH2 2.89Å |
| 298 | I | 80.1 | Confident | 74 | Confident | 49 Ų | 49 | 71.5 Ų | 71.5 | 25% | 0.251 | 43% | 0.431 | S | S | . | . | trans | -78.8 | 127.7 | 174.6 | -60 | 175 | 0 | 0 | 0 | 108.3 | T300 L305 H318 G321 L323 | I298-T300 PolarHBondContact O-N 2.94Å; I298-L305 HydrophobicContact CG2-CD1 3.93Å; I298-H318 HydrophobicContact CD1-CB 3.36Å; I298-G321 PolarHBondContact N-O 3.31Å; I298-L323 HydrophobicContact CD1-CB 4.47Å; I298-L323 HydrophobicContact CD1-CD1 4.31Å; I298-L323 HydrophobicContact CG1-CB 3.99Å; I298-L323 HydrophobicContact CG1-CD1 4.31Å | ||
| 299 | E | 69.3 | Low | 72.4 | Confident | 145 Ų | 145 | 78.5 Ų | 78.5 | 68% | 0.678 | 46% | 0.461 | S | S | * | . | trans | -61.2 | 107.3 | 172.6 | -67.8 | -176.4 | -179 | 0 | 0 | 109.7 | S301 V302 | E299-S301 PolarHBondContact O-N 3.25Å; E299-S301 VanDerWaalsContact O-N 3.07Å; E299-V302 HydrophobicContact CB-CG2 4.45Å; E299-V302 PolarHBondContact O-N 3.01Å | ||
| 300 | T | 57.7 | Low | 71.1 | Confident | 132 Ų | 132 | 82.1 Ų | 82.1 | 81% | 0.81 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -16.6 | -175.7 | 45.8 | 0 | 0 | 0 | 0 | 113.6 | I298 V302 | I298-T300 PolarHBondContact O-N 2.94Å; T300-V302 PolarHBondContact O-N 3.44Å |
| 301 | S | 55.1 | Low | 70.2 | Confident | 103 Ų | 103 | 81.8 Ų | 81.8 | 72% | 0.72 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -18.3 | 179.4 | 50.2 | 0 | 0 | 0 | 0 | 113.7 | E299 | E299-S301 PolarHBondContact O-N 3.25Å; E299-S301 VanDerWaalsContact O-N 3.07Å |
| 302 | V | 50.3 | Low | 69.1 | Low | 93 Ų | 93 | 87.7 Ų | 87.7 | 56% | 0.564 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -94.8 | -16.7 | -166.3 | -175.7 | 0 | 0 | 0 | 0 | 114.3 | E299 T300 | E299-V302 HydrophobicContact CB-CG2 4.45Å; E299-V302 PolarHBondContact O-N 3.01Å; T300-V302 PolarHBondContact O-N 3.44Å |
| 303 | N | 47.1 | Very low | 67.9 | Low | 117 Ų | 117 | 89.4 Ų | 89.4 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | trans | -155 | 145.7 | 177.7 | -88.2 | -47.6 | 0 | 0 | 0 | 114.1 | L305 | N303-L305 HydrophobicContact CB-CD1 4.45Å; N303-L305 HydrophobicContact CB-CG 3.92Å; N303-L305 PolarHBondContact O-N 3.18Å | ||
| 304 | N | 49.7 | Very low | 66.9 | Low | 152 Ų | 152 | 89.7 Ų | 89.7 | 81% | 0.813 | 51% | 0.508 | S | S | * | . | trans | -58.3 | 61.4 | 158 | -73.6 | -28.3 | 0 | 0 | 0 | 110.9 | S306 | N304-S306 PolarHBondContact O-N 2.95Š| ||
| 305 | L | 53.2 | Low | 66.4 | Low | 66 Ų | 66 | 88.5 Ų | 88.5 | 35% | 0.346 | 50% | 0.495 | S | S | . | . | trans | -72.2 | 16.6 | 171.7 | -71.4 | 166.1 | 0 | 0 | 0 | 111.5 | I298 N303 G307 | I298-L305 HydrophobicContact CG2-CD1 3.93Å; N303-L305 HydrophobicContact CB-CD1 4.45Å; N303-L305 HydrophobicContact CB-CG 3.92Å; N303-L305 PolarHBondContact O-N 3.18Å; L305-G307 PolarHBondContact O-N 3.01Å; L305-G307 VanDerWaalsContact O-N 3.09Å | ||
| 306 | S | 46.7 | Very low | 65.6 | Low | 113 Ų | 113 | 87.7 Ų | 87.7 | 79% | 0.79 | 49% | 0.49 | S | S | * | . | trans | -69.4 | 2.9 | 176.6 | 48.6 | 0 | 0 | 0 | 0 | 114.2 | N304 | N304-S306 PolarHBondContact O-N 2.95Š| ||
| 307 | G | 50.6 | Low | 64.9 | Low | 31 Ų | 31 | 89.4 Ų | 89.4 | 32% | 0.32 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -104.7 | 127.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | L305 K309 | L305-G307 PolarHBondContact O-N 3.01Å; L305-G307 VanDerWaalsContact O-N 3.09Å; G307-K309 PolarHBondContact O-N 3.4Å |
| 308 | D | 56.5 | Low | 64.4 | Low | 121 Ų | 121 | 85.5 Ų | 85.5 | 65% | 0.647 | 48% | 0.479 | S | S | * | . | trans | -56 | 62.7 | 155.5 | -70.7 | -46 | 0 | 0 | 0 | 110.2 | Q64 I310 | Q64-D308 PolarHBondContact NE2-OD1 3.22Å; Q64-D308 PolarHBondContact NE2-OD2 2.89Å; D308-I310 VanDerWaalsContact C-N 3.3Å; D308-I310 PolarHBondContact O-N 2.97Å | ||
| 309 | K | 64.8 | Low | 64.2 | Low | 151 Ų | 151 | 83.5 Ų | 83.5 | 66% | 0.657 | 47% | 0.469 | S | S | * | . | trans | -74.8 | 93.6 | 180 | -77.7 | -172.8 | 178.2 | 179.4 | 0 | 106.4 | G307 L317 | G307-K309 PolarHBondContact O-N 3.4Å; K309-L317 HydrophobicContact CB-CD1 4.19Å | ||
| 310 | I | 70.3 | Confident | 64.6 | Low | 111 Ų | 111 | 80.6 Ų | 80.6 | 57% | 0.569 | 45% | 0.452 | S | S | * | . | B | Isolated β-bridge | trans | -63.2 | 134.5 | 162.1 | -69.6 | 170 | 0 | 0 | 0 | 107.9 | D308 L315 | D308-I310 VanDerWaalsContact C-N 3.3Å; D308-I310 PolarHBondContact O-N 2.97Å; I310-L315 WeakPolarHBondContact CA-O 3.47Å |
| 311 | D | 77.1 | Confident | 65.9 | Low | 32 Ų | 32 | 75.8 Ų | 75.8 | 17% | 0.171 | 43% | 0.428 | C | S | . | . | trans | -80.8 | -170.7 | 175.7 | 71.6 | -0.7 | 0 | 0 | 0 | 112.3 | Y313 G314 L315 L317 R324 | D311-Y313 PolarHBondContact O-N 2.95Å; D311-Y313 VanDerWaalsContact O-N 3.12Å; D311-Y313 WeakPolarHBondContact OD1-CA 3.31Å; D311-Y313 WeakPolarHBondContact OD1-CB 3.01Å; D311-Y313 PolarHBondContact OD1-N 3.04Å; D311-Y313 WeakPolarHBondContact OD2-CD2 3.4Å; D311-G314 PolarHBondContact O-N 3.37Å; D311-G314 PolarHBondContact OD1-N 2.83Å; D311-L315 PolarHBondContact N-O 3.19Å; D311-L315 PolarHBondContact OD1-N 2.68Å; D311-L315 VanDerWaalsContact OD1-O 3.12Å; D311-L317 HydrophobicContact CB-CD2 4.42Å; D311-R324 IonicContact OD2-CZ 3.96Å; D311-R324 IonicContact OD2-NH1 3.58Å; D311-R324 PolarHBondContact OD2-NH1 2.93Å; D311-R324 IonicContact OD2-NH2 3.09Å; D311-R324 PolarHBondContact OD2-NH2 3.45Å | ||
| 312 | M | 73.1 | Confident | 67.4 | Low | 137 Ų | 137 | 72.5 Ų | 72.5 | 68% | 0.675 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.5 | 178.5 | 71.5 | 179.5 | 74.1 | 0 | 0 | 114.1 | ||
| 313 | Y | 71.3 | Confident | 69.2 | Low | 45 Ų | 45 | 71 Ų | 71 | 18% | 0.176 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -2.8 | -178.7 | -49.2 | -47.3 | 0 | 0 | 0 | 113.1 | H86 F278 V282 D311 L315 | H86-Y313 AromaticContact CE1-CE2 3.88Å; H86-Y313 AromaticContact CE1-CZ 3.83Å; F278-Y313 HydrophobicContact CB-CD1 4.08Å; F278-Y313 AromaticContact CD1-CD1 3.9Å; F278-Y313 HydrophobicContact CD1-CD1 3.9Å; F278-Y313 AromaticContact CD1-CE1 3.82Å; F278-Y313 HydrophobicContact CD1-CE1 3.82Å; F278-Y313 HydrophobicContact CE1-CE1 4.17Å; F278-Y313 HydrophobicContact CG-CD1 4.02Å; F278-Y313 HydrophobicContact CG-CE1 4.4Å; V282-Y313 HydrophobicContact CG1-CD2 4.32Å; V282-Y313 HydrophobicContact CG1-CG 4.35Å; V282-Y313 HydrophobicContact CG2-CD1 3.66Å; V282-Y313 HydrophobicContact CG2-CD2 4.25Å; V282-Y313 HydrophobicContact CG2-CE1 3.88Å; V282-Y313 HydrophobicContact CG2-CE2 4.46Å; V282-Y313 HydrophobicContact CG2-CG 3.87Å; D311-Y313 PolarHBondContact O-N 2.95Å; D311-Y313 VanDerWaalsContact O-N 3.12Å; D311-Y313 WeakPolarHBondContact OD1-CA 3.31Å; D311-Y313 WeakPolarHBondContact OD1-CB 3.01Å; D311-Y313 PolarHBondContact OD1-N 3.04Å; D311-Y313 WeakPolarHBondContact OD2-CD2 3.4Å; Y313-L315 VanDerWaalsContact C-N 3.3Å |
| 314 | G | 74.2 | Confident | 71.3 | Confident | 40 Ų | 40 | 66.7 Ų | 66.7 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 82.8 | 9.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D311 | D311-G314 PolarHBondContact O-N 3.37Å; D311-G314 PolarHBondContact OD1-N 2.83Å |
| 315 | L | 80.7 | Confident | 73.3 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | trans | -110 | 148.6 | -172.7 | -65.8 | 174.8 | 0 | 0 | 0 | 112.5 | A58 D59 F62 V84 V282 I310 D311 Y313 | A58-L315 HydrophobicContact CB-CD1 3.9Å; A58-L315 HydrophobicContact CB-CD2 4.27Å; D59-L315 HydrophobicContact CB-CD2 3.96Å; F62-L315 HydrophobicContact CB-CD2 4.41Å; V84-L315 HydrophobicContact CG1-CD1 3.53Å; V282-L315 HydrophobicContact CG1-CD1 3.81Å; I310-L315 WeakPolarHBondContact CA-O 3.47Å; D311-L315 PolarHBondContact N-O 3.19Å; D311-L315 PolarHBondContact OD1-N 2.68Å; D311-L315 VanDerWaalsContact OD1-O 3.12Å; Y313-L315 VanDerWaalsContact C-N 3.3Å | ||
| 316 | P | 75.9 | Confident | 75.3 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 17% | 0.169 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -71.4 | 144.6 | 176.3 | 33.1 | -36.5 | 0 | 0 | 0 | 110.7 | W82 H318 R324 | W82-P316 HydrophobicContact CH2-CG 4.29Å; P316-H318 WeakPolarHBondContact CB-O 3.42Å; P316-H318 PolarHBondContact O-N 3.4Å; P316-R324 PolarHBondContact O-NH1 3.33Å |
| 317 | L | 71.9 | Confident | 77.6 | Confident | 84 Ų | 84 | 58.3 Ų | 58.3 | 44% | 0.44 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -68.7 | -23.9 | 174.3 | -72.8 | 161.2 | 0 | 0 | 0 | 112.4 | K309 D311 R324 | K309-L317 HydrophobicContact CB-CD1 4.19Å; D311-L317 HydrophobicContact CB-CD2 4.42Å; L317-R324 WeakPolarHBondContact O-CB 3.36Å |
| 318 | H | 77.6 | Confident | 79.8 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 20% | 0.204 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 151.1 | 173.2 | 64.4 | 64.4 | 0 | 0 | 0 | 110.1 | I298 P316 R322 | I298-H318 HydrophobicContact CD1-CB 3.36Å; P316-H318 WeakPolarHBondContact CB-O 3.42Å; P316-H318 PolarHBondContact O-N 3.4Å; H318-R322 WeakPolarHBondContact CA-O 3.31Å; H318-R322 WeakPolarHBondContact CB-O 3.48Å |
| 319 | N | 75.4 | Confident | 81.7 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.2 | 173.8 | -161.7 | -10.6 | 0 | 0 | 0 | 108.6 | L76 W82 G321 R322 | L76-N319 HydrophobicContact CD1-CB 4.19Å; L76-N319 HydrophobicContact CD2-CB 4.29Å; W82-N319 HydrophobicContact CD2-CB 4.33Å; W82-N319 HydrophobicContact CE3-CB 4.45Å; W82-N319 HydrophobicContact CH2-CB 3.69Å; W82-N319 HydrophobicContact CZ2-CB 3.54Å; W82-N319 HydrophobicContact CZ3-CB 4.14Å; N319-G321 PolarHBondContact O-N 2.87Å; N319-R322 PolarHBondContact N-O 3.15Å; N319-R322 WeakPolarHBondContact O-CA 3.47Å; N319-R322 WeakPolarHBondContact O-CB 3.14Å; N319-R322 WeakPolarHBondContact O-CG 3.43Å; N319-R322 PolarHBondContact O-N 3.24Å |
| 320 | Y | 78.5 | Confident | 83.2 | Confident | 84 Ų | 84 | 48.9 Ų | 48.9 | 33% | 0.329 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 40.6 | -172.6 | -56.2 | -78.2 | 0 | 0 | 0 | 114.2 | Q64 D65 R73 L76 L77 R322 | Q64-Y320 PolarHBondContact O-OH 2.97Å; D65-Y320 VanDerWaalsContact C-OH 3.23Å; D65-Y320 VanDerWaalsContact CA-OH 3.26Å; D65-Y320 WeakPolarHBondContact CA-OH 3.44Å; D65-Y320 PolarHBondContact O-OH 3.17Å; R73-Y320 WeakPolarHBondContact CD-OH 3.49Å; R73-Y320 HydrophobicContact CG-CE2 4Å; L76-Y320 HydrophobicContact CD2-CD2 4.13Å; L77-Y320 HydrophobicContact CD2-CD1 4.43Å; L77-Y320 HydrophobicContact CD2-CD2 3.78Å; L77-Y320 HydrophobicContact CD2-CG 3.61Å; L77-Y320 HydrophobicContact CG-CD2 4.36Å; Y320-R322 PolarHBondContact O-N 3.35Å; Y320-R322 PolarHBondContact O-NH1 2.9Å; Y320-R322 VanDerWaalsContact O-NH1 3.13Å |
| 321 | G | 83 | Confident | 84.6 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 7.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | I298 N319 | I298-G321 PolarHBondContact N-O 3.31Å; N319-G321 PolarHBondContact O-N 2.87Å |
| 322 | R | 87.8 | Confident | 85.6 | Confident | 35 Ų | 35 | 43.3 Ų | 43.3 | 13% | 0.132 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 132.7 | 175.3 | -52.6 | -58.6 | -177.4 | -114.8 | 23.9 | 110.5 | L76 L77 W82 V296 E297 H318 N319 Y320 R324 | L76-R322 HydrophobicContact CD2-CB 4.34Å; L76-R322 HydrophobicContact CD2-CG 4Å; L77-R322 PolarHBondContact O-NE 3.4Å; L77-R322 PolarHBondContact O-NH2 2.89Å; W82-R322 PolarHBondContact NE1-O 3.44Å; V296-R322 WeakPolarHBondContact O-CA 3.17Å; E297-R322 IonicContact OE1-CZ 3.16Å; E297-R322 IonicContact OE1-NH1 3.06Å; E297-R322 PolarHBondContact OE1-NH1 3.18Å; E297-R322 IonicContact OE1-NH2 3.53Å; E297-R322 PolarHBondContact OE1-NH2 2.89Å; H318-R322 WeakPolarHBondContact CA-O 3.31Å; H318-R322 WeakPolarHBondContact CB-O 3.48Å; N319-R322 PolarHBondContact N-O 3.15Å; N319-R322 WeakPolarHBondContact O-CA 3.47Å; N319-R322 WeakPolarHBondContact O-CB 3.14Å; N319-R322 WeakPolarHBondContact O-CG 3.43Å; N319-R322 PolarHBondContact O-N 3.24Å; Y320-R322 PolarHBondContact O-N 3.35Å; Y320-R322 PolarHBondContact O-NH1 2.9Å; Y320-R322 VanDerWaalsContact O-NH1 3.13Å; R322-R324 PolarHBondContact O-N 3.18Å |
| 323 | L | 88.9 | Confident | 86.8 | Confident | 61 Ų | 61 | 36.8 Ų | 36.8 | 32% | 0.319 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 127.6 | 178.6 | -180 | 66.1 | 0 | 0 | 0 | 111.7 | W82 V296 I298 | W82-L323 PolarHBondContact NE1-O 3.03Å; V296-L323 HydrophobicContact CB-CB 4.3Å; V296-L323 HydrophobicContact CG1-CB 4.42Å; V296-L323 HydrophobicContact CG1-CD2 4.33Å; V296-L323 PolarHBondContact O-N 3.26Å; I298-L323 HydrophobicContact CD1-CB 4.47Å; I298-L323 HydrophobicContact CD1-CD1 4.31Å; I298-L323 HydrophobicContact CG1-CB 3.99Å; I298-L323 HydrophobicContact CG1-CD1 4.31Å |
| 324 | R | 90.1 | Very high | 88.1 | Confident | 27 Ų | 27 | 34.6 Ų | 34.6 | 10% | 0.102 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 134.5 | 171.4 | -168.9 | 178 | 75.6 | -172.1 | 12 | 111.1 | W82 D311 P316 L317 R322 E326 | W82-R324 HydrophobicContact CE3-CG 4.49Å; W82-R324 HydrophobicContact CH2-CB 3.81Å; W82-R324 HydrophobicContact CH2-CG 3.84Å; W82-R324 HydrophobicContact CZ2-CB 3.56Å; W82-R324 HydrophobicContact CZ2-CG 4.04Å; W82-R324 HydrophobicContact CZ3-CG 4.09Å; D311-R324 IonicContact OD2-CZ 3.96Å; D311-R324 IonicContact OD2-NH1 3.58Å; D311-R324 PolarHBondContact OD2-NH1 2.93Å; D311-R324 IonicContact OD2-NH2 3.09Å; D311-R324 PolarHBondContact OD2-NH2 3.45Å; P316-R324 PolarHBondContact O-NH1 3.33Å; L317-R324 WeakPolarHBondContact O-CB 3.36Å; R322-R324 PolarHBondContact O-N 3.18Å; R324-E326 IonicContact CZ-OE1 3.91Å; R324-E326 IonicContact NE-OE1 3.67Å; R324-E326 PolarHBondContact NE-OE1 2.95Å; R324-E326 IonicContact NH2-OE1 2.73Å; R324-E326 PolarHBondContact NH2-OE1 3.14Å |
| 325 | R | 92.3 | Very high | 89.2 | Confident | 63 Ų | 63 | 32.7 Ų | 32.7 | 24% | 0.238 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 155.9 | 169.1 | -61.8 | -64.3 | -172.7 | 172.8 | -0.7 | 111.4 | L81 W82 G83 V84 F356 | L81-R325 HydrophobicContact CD1-CG 4.47Å; L81-R325 HydrophobicContact CD2-CG 4.27Å; W82-R325 PolarHBondContact O-N 3.4Å; G83-R325 CarbonylContact C-O 3.47Å; G83-R325 WeakPolarHBondContact CA-O 3.43Å; V84-R325 PolarHBondContact N-O 2.99Å; R325-F356 HydrophobicContact CB-CE1 3.89Å; R325-F356 HydrophobicContact CB-CE2 4.24Å; R325-F356 HydrophobicContact CB-CZ 3.51Å; R325-F356 HydrophobicContact CG-CE1 4.44Å; R325-F356 HydrophobicContact CG-CZ 4.28Å |
| 326 | E | 93.7 | Very high | 90 | Very high | 85 Ų | 85 | 32.5 Ų | 32.5 | 40% | 0.397 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.2 | 176.2 | -54.9 | -164.4 | -172.4 | 0 | 0 | 109.6 | V84 H86 R324 | V84-E326 HydrophobicContact CG2-CB 4.29Å; V84-E326 HydrophobicContact CG2-CG 3.75Å; V84-E326 WeakPolarHBondContact O-CA 3.41Å; H86-E326 IonicContact CD2-OE2 3.93Å; H86-E326 IonicContact CE1-OE2 2.73Å; H86-E326 IonicContact NE2-OE2 3.03Å; H86-E326 PolarHBondContact NE2-OE2 3.08Å; R324-E326 IonicContact CZ-OE1 3.91Å; R324-E326 IonicContact NE-OE1 3.67Å; R324-E326 PolarHBondContact NE-OE1 2.95Å; R324-E326 IonicContact NH2-OE1 2.73Å; R324-E326 PolarHBondContact NH2-OE1 3.14Å |
| 327 | I | 96.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 146.5 | 179.8 | -166.1 | 170.4 | 0 | 0 | 0 | 109.6 | V84 S85 H86 L285 D331 L332 L335 P353 F356 | V84-I327 PolarHBondContact O-N 2.74Å; V84-I327 VanDerWaalsContact O-N 3.09Å; S85-I327 WeakPolarHBondContact CA-O 3.3Å; H86-I327 PolarHBondContact N-O 3.26Å; L285-I327 HydrophobicContact CD2-CB 4.33Å; L285-I327 HydrophobicContact CD2-CG2 3.49Å; L285-I327 VanDerWaalsContact CD2-CG2 3.49Å; I327-D331 HydrophobicContact CD1-CB 3.93Å; I327-D331 HydrophobicContact CG1-CB 3.61Å; I327-L332 HydrophobicContact CD1-CD2 4.12Å; I327-L332 HydrophobicContact CD1-CG 4.42Å; I327-L335 HydrophobicContact CD1-CD2 4.32Å; I327-P353 HydrophobicContact CD1-CB 4.04Å; I327-P353 HydrophobicContact CD1-CG 3.76Å; I327-P353 HydrophobicContact CG1-CB 4.45Å; I327-F356 HydrophobicContact CB-CZ 4.15Å |
| 328 | Q | 96.6 | Very high | 92.3 | Very high | 95 Ų | 95 | 27.3 Ų | 27.3 | 44% | 0.444 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 142 | 166.7 | -56.6 | -61.7 | -43.1 | 0 | 0 | 108.9 | A330 D331 | Q328-A330 PolarHBondContact O-N 3.47Å; Q328-A330 VanDerWaalsContact O-N 3.14Å; Q328-D331 WeakPolarHBondContact CB-OD2 3.38Å; Q328-D331 PolarHBondContact N-OD2 3.28Å; Q328-D331 WeakPolarHBondContact O-CA 3.31Å; Q328-D331 VanDerWaalsContact O-CB 3.28Å; Q328-D331 WeakPolarHBondContact O-CB 3.5Å; Q328-D331 PolarHBondContact O-N 3.34Å |
| 329 | Q | 96.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 2% | 0.023 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -56.2 | -36.9 | -176.7 | -175.4 | 179 | 61.6 | 0 | 0 | 113.2 | S85 H86 T87 A99 M100 D264 D331 L332 | S85-Q329 WeakPolarHBondContact OG-CA 3.47Å; H86-Q329 WeakPolarHBondContact O-CB 3.23Å; H86-Q329 PolarHBondContact O-N 2.96Å; T87-Q329 PolarHBondContact OG1-NE2 2.84Å; T87-Q329 PolarHBondContact OG1-OE1 2.84Å; A99-Q329 HydrophobicContact CB-CG 4.25Å; M100-Q329 HydrophobicContact CG-CG 3.29Å; M100-Q329 HydrophobicContact SD-CG 4.12Å; D264-Q329 PolarHBondContact O-NE2 3.47Å; Q329-D331 PolarHBondContact O-N 3.37Å; Q329-L332 HydrophobicContact CG-CD1 4.47Å; Q329-L332 WeakPolarHBondContact O-CB 3.37Å; Q329-L332 PolarHBondContact O-N 3.24Å |
| 330 | A | 96.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 5% | 0.05 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -64.3 | -20.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A99 Q328 L332 P334 | A99-A330 WeakPolarHBondContact O-CA 3.48Å; Q328-A330 PolarHBondContact O-N 3.47Å; Q328-A330 VanDerWaalsContact O-N 3.14Å; A330-L332 VanDerWaalsContact C-N 3.31Å; A330-P334 WeakPolarHBondContact O-CD 3.35Å |
| 331 | D | 98.1 | Very high | 95 | Very high | 25 Ų | 25 | 21.3 Ų | 21.3 | 13% | 0.134 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -81.3 | -10.9 | 179.7 | -56.7 | -17.5 | 0 | 0 | 0 | 112.3 | I327 Q328 Q329 C333 P334 L335 G350 Q351 | I327-D331 HydrophobicContact CD1-CB 3.93Å; I327-D331 HydrophobicContact CG1-CB 3.61Å; Q328-D331 WeakPolarHBondContact CB-OD2 3.38Å; Q328-D331 PolarHBondContact N-OD2 3.28Å; Q328-D331 WeakPolarHBondContact O-CA 3.31Å; Q328-D331 VanDerWaalsContact O-CB 3.28Å; Q328-D331 WeakPolarHBondContact O-CB 3.5Å; Q328-D331 PolarHBondContact O-N 3.34Å; Q329-D331 PolarHBondContact O-N 3.37Å; D331-C333 VanDerWaalsContact C-N 3.25Å; D331-C333 PolarHBondContact O-N 2.94Å; D331-P334 VanDerWaalsContact C-CD 3.47Å; D331-P334 HydrophobicContact CB-CG 4.46Å; D331-P334 VanDerWaalsContact O-CD 3.24Å; D331-P334 WeakPolarHBondContact O-CD 3.36Å; D331-P334 VanDerWaalsContact O-CG 3.26Å; D331-P334 WeakPolarHBondContact O-CG 3.41Å; D331-L335 WeakPolarHBondContact O-CB 3.29Å; D331-L335 PolarHBondContact O-N 3.19Å; D331-G350 WeakPolarHBondContact OD1-CA 3.41Å; D331-Q351 WeakPolarHBondContact CB-O 3.44Å; D331-Q351 PolarHBondContact OD1-N 3.45Å |
| 332 | L | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.1 | -34.6 | 171.1 | -71.8 | 169.2 | 0 | 0 | 0 | 111.6 | M100 I260 T262 L285 I327 Q329 A330 L335 M336 | M100-L332 HydrophobicContact CB-CD1 4.45Å; M100-L332 HydrophobicContact CG-CD1 3.77Å; M100-L332 HydrophobicContact SD-CD1 3.88Å; I260-L332 HydrophobicContact CG2-CD2 4.16Å; T262-L332 HydrophobicContact CG2-CD1 4.05Å; L285-L332 HydrophobicContact CD1-CD2 3.99Å; I327-L332 HydrophobicContact CD1-CD2 4.12Å; I327-L332 HydrophobicContact CD1-CG 4.42Å; Q329-L332 HydrophobicContact CG-CD1 4.47Å; Q329-L332 WeakPolarHBondContact O-CB 3.37Å; Q329-L332 PolarHBondContact O-N 3.24Å; A330-L332 VanDerWaalsContact C-N 3.31Å; L332-L335 HydrophobicContact CD2-CD2 4.2Å; L332-L335 WeakPolarHBondContact O-CB 3.24Å; L332-L335 PolarHBondContact O-N 2.9Å; L332-M336 HydrophobicContact CB-CE 4.38Å; L332-M336 WeakPolarHBondContact O-CE 3.34Å; L332-M336 WeakPolarHBondContact O-CG 3.5Å; L332-M336 PolarHBondContact O-N 3.23Å |
| 333 | C | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.4 | -59.6 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 112.3 | M100 V125 D331 L335 M336 A337 P345 | M100-C333 VanDerWaalsContact O-CA 3.31Å; M100-C333 WeakPolarHBondContact O-CA 3.39Å; M100-C333 WeakPolarHBondContact O-CB 3.34Å; M100-C333 PolarHBondContact O-N 2.94Å; M100-C333 VanDerWaalsContact O-N 3.17Å; V125-C333 WeakPolarHBondContact CG1-O 3.32Å; D331-C333 VanDerWaalsContact C-N 3.25Å; D331-C333 PolarHBondContact O-N 2.94Å; C333-L335 VanDerWaalsContact C-N 3.26Å; C333-L335 PolarHBondContact O-N 3.37Å; C333-M336 PolarHBondContact O-N 3.32Å; C333-A337 PolarHBondContact O-N 3.4Å; C333-P345 VanDerWaalsContact SG-CD 3.55Å; C333-P345 VanDerWaalsContact SG-CG 3.51Å |
| 334 | P | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.9 | -26.4 | 176.4 | 25.8 | -34.7 | 0 | 0 | 0 | 113.3 | A330 D331 S338 I344 Q351 V352 | A330-P334 WeakPolarHBondContact O-CD 3.35Å; D331-P334 VanDerWaalsContact C-CD 3.47Å; D331-P334 HydrophobicContact CB-CG 4.46Å; D331-P334 VanDerWaalsContact O-CD 3.24Å; D331-P334 WeakPolarHBondContact O-CD 3.36Å; D331-P334 VanDerWaalsContact O-CG 3.26Å; D331-P334 WeakPolarHBondContact O-CG 3.41Å; P334-S338 VanDerWaalsContact O-CB 3.26Å; P334-S338 WeakPolarHBondContact O-CB 3.5Å; P334-S338 PolarHBondContact O-N 2.94Å; P334-S338 PolarHBondContact O-OG 3.08Å; P334-I344 HydrophobicContact CB-CD1 4.1Å; P334-I344 HydrophobicContact CB-CG1 4.27Å; P334-I344 HydrophobicContact CB-CG2 4.27Å; P334-Q351 WeakPolarHBondContact CG-O 3.15Å; P334-V352 HydrophobicContact CB-CG2 3.87Å |
| 335 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61 | -52 | 170 | 173.7 | 62.8 | 0 | 0 | 0 | 111.5 | I260 I287 I327 D331 L332 C333 A337 S338 L339 P353 F356 L357 | I260-L335 HydrophobicContact CD1-CD2 4.23Å; I287-L335 HydrophobicContact CD1-CD2 3.64Å; I327-L335 HydrophobicContact CD1-CD2 4.32Å; D331-L335 WeakPolarHBondContact O-CB 3.29Å; D331-L335 PolarHBondContact O-N 3.19Å; L332-L335 HydrophobicContact CD2-CD2 4.2Å; L332-L335 WeakPolarHBondContact O-CB 3.24Å; L332-L335 PolarHBondContact O-N 2.9Å; C333-L335 VanDerWaalsContact C-N 3.26Å; C333-L335 PolarHBondContact O-N 3.37Å; L335-A337 PolarHBondContact O-N 3.23Å; L335-S338 WeakPolarHBondContact O-CB 3.26Å; L335-S338 PolarHBondContact O-N 3.32Å; L335-L339 HydrophobicContact CD1-CD1 4.28Å; L335-L339 HydrophobicContact CD1-CG 4.4Å; L335-L339 HydrophobicContact CG-CD1 4.26Å; L335-L339 WeakPolarHBondContact O-CG 3.46Å; L335-L339 PolarHBondContact O-N 2.93Å; L335-P353 HydrophobicContact CB-CG 3.76Å; L335-P353 HydrophobicContact CD1-CG 4Å; L335-P353 HydrophobicContact CD2-CG 4.49Å; L335-P353 HydrophobicContact CG-CG 4.28Å; L335-F356 HydrophobicContact CD1-CB 4.17Å; L335-L357 HydrophobicContact CD1-CD2 3.8Å; L335-L357 HydrophobicContact CD1-CG 4.31Å |
| 336 | M | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63 | -42.2 | 179 | -72.3 | -174.9 | -75.2 | 0 | 0 | 112 | V48 F50 M100 L101 V125 M206 I260 L332 C333 S338 L339 L340 | V48-M336 HydrophobicContact CG1-CG 4.05Å; V48-M336 HydrophobicContact CG1-SD 4.25Å; F50-M336 HydrophobicContact CB-SD 4.14Å; F50-M336 HydrophobicContact CD1-CE 4.29Å; F50-M336 HydrophobicContact CD1-SD 4Å; F50-M336 HydrophobicContact CD2-SD 4.18Å; F50-M336 HydrophobicContact CE1-CE 4.17Å; F50-M336 HydrophobicContact CE1-SD 4.43Å; F50-M336 HydrophobicContact CG-SD 3.86Å; F50-M336 HydrophobicContact CZ-CE 4.37Å; M100-M336 WeakPolarHBondContact O-CE 3.32Å; L101-M336 HydrophobicContact CD2-CE 4.11Å; V125-M336 HydrophobicContact CG1-CB 4.22Å; V125-M336 HydrophobicContact CG2-CB 4.48Å; V125-M336 HydrophobicContact CG2-CE 3.95Å; V125-M336 HydrophobicContact CG2-SD 4.37Å; M206-M336 HydrophobicContact CE-CE 4.24Å; M206-M336 HydrophobicContact CE-SD 3.35Å; M206-M336 WeakPolarHBondContact CE-SD 3.43Å; I260-M336 HydrophobicContact CD1-CG 3.38Å; I260-M336 HydrophobicContact CD1-SD 4.13Å; L332-M336 HydrophobicContact CB-CE 4.38Å; L332-M336 WeakPolarHBondContact O-CE 3.34Å; L332-M336 WeakPolarHBondContact O-CG 3.5Å; L332-M336 PolarHBondContact O-N 3.23Å; C333-M336 PolarHBondContact O-N 3.32Å; M336-S338 VanDerWaalsContact C-N 3.3Å; M336-S338 PolarHBondContact O-N 2.65Å; M336-L339 PolarHBondContact O-N 3.18Å; M336-L340 PolarHBondContact O-N 3.44Å |
| 337 | A | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V125 C333 L335 L339 L340 G341 V342 I344 | V125-A337 HydrophobicContact CG1-CB 4.26Å; C333-A337 PolarHBondContact O-N 3.4Å; L335-A337 PolarHBondContact O-N 3.23Å; A337-L339 PolarHBondContact O-N 3.41Å; A337-L340 PolarHBondContact O-N 2.7Å; A337-G341 PolarHBondContact O-N 3.06Å; A337-V342 HydrophobicContact CB-CG2 4.15Å; A337-V342 PolarHBondContact O-N 3.39Å; A337-I344 HydrophobicContact CB-CG1 4.07Å |
| 338 | S | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 177.2 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | P44 P334 L335 M336 G341 | P44-S338 VanDerWaalsContact CD-O 3.3Å; P44-S338 WeakPolarHBondContact CD-O 3.5Å; P334-S338 VanDerWaalsContact O-CB 3.26Å; P334-S338 WeakPolarHBondContact O-CB 3.5Å; P334-S338 PolarHBondContact O-N 2.94Å; P334-S338 PolarHBondContact O-OG 3.08Å; L335-S338 WeakPolarHBondContact O-CB 3.26Å; L335-S338 PolarHBondContact O-N 3.32Å; M336-S338 VanDerWaalsContact C-N 3.3Å; M336-S338 PolarHBondContact O-N 2.65Å; S338-G341 PolarHBondContact O-N 3.47Å |
| 339 | L | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -67.3 | -38.2 | 177.4 | -72.2 | 169.4 | 0 | 0 | 0 | 112.5 | P44 T45 V48 A258 I260 I292 L335 M336 A337 G341 L357 | P44-L339 VanDerWaalsContact CD-O 3.28Å; P44-L339 WeakPolarHBondContact CD-O 3.24Å; T45-L339 WeakPolarHBondContact CA-O 3.49Å; T45-L339 WeakPolarHBondContact CB-O 3.27Å; T45-L339 HydrophobicContact CG2-CB 4Å; T45-L339 HydrophobicContact CG2-CD2 3.85Å; T45-L339 HydrophobicContact CG2-CG 4.47Å; T45-L339 PolarHBondContact N-O 2.9Å; T45-L339 PolarHBondContact OG1-O 3.25Å; V48-L339 HydrophobicContact CG2-CB 3.85Å; V48-L339 HydrophobicContact CG2-CD1 4.31Å; A258-L339 HydrophobicContact CB-CD1 4.07Å; A258-L339 HydrophobicContact CB-CD2 4.43Å; I260-L339 HydrophobicContact CD1-CD1 4.11Å; I292-L339 HydrophobicContact CD1-CD1 4.1Å; I292-L339 HydrophobicContact CD1-CD2 3.73Å; I292-L339 HydrophobicContact CD1-CG 4.45Å; I292-L339 HydrophobicContact CG1-CD2 4.23Å; L335-L339 HydrophobicContact CD1-CD1 4.28Å; L335-L339 HydrophobicContact CD1-CG 4.4Å; L335-L339 HydrophobicContact CG-CD1 4.26Å; L335-L339 WeakPolarHBondContact O-CG 3.46Å; L335-L339 PolarHBondContact O-N 2.93Å; M336-L339 PolarHBondContact O-N 3.18Å; A337-L339 PolarHBondContact O-N 3.41Å; L339-G341 VanDerWaalsContact C-N 3.33Å; L339-L357 HydrophobicContact CD2-CD2 3.68Å; L339-L357 HydrophobicContact CG-CD2 4.09Å |
| 340 | L | 96.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -82.4 | -12.4 | 177.6 | -68 | 173.2 | 0 | 0 | 0 | 113 | A43 V48 M336 A337 V342 | A43-L340 WeakPolarHBondContact CB-O 3.3Å; V48-L340 HydrophobicContact CB-CD1 4.5Å; V48-L340 HydrophobicContact CB-CD2 4.16Å; V48-L340 HydrophobicContact CB-CG 4.3Å; V48-L340 HydrophobicContact CG2-CD1 4.32Å; V48-L340 HydrophobicContact CG2-CD2 3.68Å; V48-L340 HydrophobicContact CG2-CG 3.67Å; M336-L340 PolarHBondContact O-N 3.44Å; A337-L340 PolarHBondContact O-N 2.7Å; L340-V342 VanDerWaalsContact C-N 3.25Å; L340-V342 HydrophobicContact CB-CB 4.49Å; L340-V342 HydrophobicContact CB-CG1 3.96Å; L340-V342 HydrophobicContact CB-CG2 3.93Å; L340-V342 HydrophobicContact CD1-CG2 4.49Å; L340-V342 PolarHBondContact O-N 2.91Å |
| 341 | G | 94.7 | Very high | 96.7 | Very high | 10 Ų | 10 | 7.9 Ų | 7.9 | 10% | 0.103 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 23.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A337 S338 L339 | A337-G341 PolarHBondContact O-N 3.06Å; S338-G341 PolarHBondContact O-N 3.47Å; L339-G341 VanDerWaalsContact C-N 3.33Å |
| 342 | V | 95.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.037 | C | C | . | . | P | Polyproline II helix | trans | -101 | 151.4 | -177.6 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | L39 R128 Q203 A337 L340 I344 | L39-V342 WeakPolarHBondContact CD1-O 3.43Å; R128-V342 HydrophobicContact CB-CB 4.08Å; R128-V342 HydrophobicContact CB-CG2 3.82Å; R128-V342 WeakPolarHBondContact O-CG1 3.49Å; Q203-V342 HydrophobicContact CB-CG1 3.78Å; Q203-V342 VanDerWaalsContact O-CG1 3.26Å; Q203-V342 WeakPolarHBondContact O-CG1 3.49Å; A337-V342 HydrophobicContact CB-CG2 4.15Å; A337-V342 PolarHBondContact O-N 3.39Å; L340-V342 VanDerWaalsContact C-N 3.25Å; L340-V342 HydrophobicContact CB-CB 4.49Å; L340-V342 HydrophobicContact CB-CG1 3.96Å; L340-V342 HydrophobicContact CB-CG2 3.93Å; L340-V342 HydrophobicContact CD1-CG2 4.49Å; L340-V342 PolarHBondContact O-N 2.91Å; V342-I344 PolarHBondContact O-N 3.44Å |
| 343 | P | 96.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 7 Ų | 7 | 1% | 0.013 | 4% | 0.039 | C | C | . | . | P | Polyproline II helix | trans | -49.7 | 138.1 | 176.3 | -27.4 | 35.2 | 0 | 0 | 0 | 113 | I36 I37 Y201 | I36-P343 HydrophobicContact CG2-CB 3.35Å; I36-P343 HydrophobicContact CG2-CG 3.46Å; I36-P343 VanDerWaalsContact CG2-CG 3.46Å; I37-P343 WeakPolarHBondContact O-CB 3.2Å; Y201-P343 HydrophobicContact CG-CG 4.34Å |
| 344 | I | 96.7 | Very high | 96.4 | Very high | 3 Ų | 3 | 7.6 Ų | 7.6 | 2% | 0.015 | 4% | 0.042 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 131.9 | 174 | -63.9 | 169 | 0 | 0 | 0 | 107.9 | P334 A337 V342 V346 V352 N371 | P334-I344 HydrophobicContact CB-CD1 4.1Å; P334-I344 HydrophobicContact CB-CG1 4.27Å; P334-I344 HydrophobicContact CB-CG2 4.27Å; A337-I344 HydrophobicContact CB-CG1 4.07Å; V342-I344 PolarHBondContact O-N 3.44Å; I344-V346 PolarHBondContact O-N 3.45Å; I344-V352 HydrophobicContact CD1-CG2 3.75Å; I344-N371 HydrophobicContact CD1-CB 3.57Å |
| 345 | P | 95.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.058 | C | C | . | . | P | Polyproline II helix | trans | -49.8 | 137.4 | 179.9 | -33 | 39.1 | 0 | 0 | 0 | 112.6 | D123 S124 V125 C333 N347 S348 | D123-P345 HydrophobicContact CB-CB 4.27Å; D123-P345 WeakPolarHBondContact OD2-CA 3.32Å; S124-P345 VanDerWaalsContact C-CG 3.45Å; V125-P345 HydrophobicContact CG1-CG 3.8Å; C333-P345 VanDerWaalsContact SG-CD 3.55Å; C333-P345 VanDerWaalsContact SG-CG 3.51Å; P345-N347 PolarHBondContact O-N 3.22Å; P345-N347 VanDerWaalsContact O-N 3.09Å; P345-S348 WeakPolarHBondContact O-CB 3.46Å; P345-S348 PolarHBondContact O-N 3.35Å |
| 346 | V | 94.4 | Very high | 96.1 | Very high | 18 Ų | 18 | 11 Ų | 11 | 11% | 0.109 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -33.2 | -159.7 | -64.6 | 0 | 0 | 0 | 0 | 113.5 | M34 I36 D123 I344 Q374 Q378 | M34-V346 HydrophobicContact CB-CB 4.08Å; M34-V346 HydrophobicContact CE-CB 3.72Å; M34-V346 HydrophobicContact CE-CG2 3.82Å; M34-V346 WeakPolarHBondContact CE-O 3.1Å; M34-V346 HydrophobicContact SD-CB 4.33Å; I36-V346 HydrophobicContact CG1-CG1 4Å; D123-V346 HydrophobicContact CB-CG2 3.77Å; D123-V346 PolarHBondContact OD2-N 3.04Å; D123-V346 VanDerWaalsContact OD2-N 3.1Å; I344-V346 PolarHBondContact O-N 3.45Å; V346-Q374 PolarHBondContact O-NE2 3.46Å; V346-Q378 PolarHBondContact O-NE2 2.87Å |
| 347 | N | 93.6 | Very high | 96 | Very high | 7 Ų | 7 | 11 Ų | 11 | 4% | 0.037 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 0.4 | 179.3 | -65.7 | 106.7 | 0 | 0 | 0 | 114.5 | L30 T31 M34 F104 P345 I349 | L30-N347 HydrophobicContact CD2-CB 3.83Å; T31-N347 PolarHBondContact N-ND2 2.93Å; T31-N347 PolarHBondContact O-ND2 3.41Å; M34-N347 HydrophobicContact CE-CB 4.35Å; M34-N347 WeakPolarHBondContact CE-ND2 3.44Å; F104-N347 HydrophobicContact CD1-CB 3.96Å; F104-N347 HydrophobicContact CE1-CB 4.16Å; P345-N347 PolarHBondContact O-N 3.22Å; P345-N347 VanDerWaalsContact O-N 3.09Å; N347-I349 PolarHBondContact O-N 2.98Å |
| 348 | S | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -60.5 | 131.5 | 179.3 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | G103 P345 G350 Q378 | G103-S348 WeakPolarHBondContact O-CA 3.37Å; P345-S348 WeakPolarHBondContact O-CB 3.46Å; P345-S348 PolarHBondContact O-N 3.35Å; S348-G350 PolarHBondContact OG-N 3.27Å; S348-Q378 PolarHBondContact O-NE2 3.03Å | ||
| 349 | I | 95.9 | Very high | 95.8 | Very high | 48 Ų | 48 | 19.7 Ų | 19.7 | 25% | 0.246 | 10% | 0.097 | C | C | . | . | trans | -104.9 | 0.3 | 168.3 | 58.1 | 165.1 | 0 | 0 | 0 | 111.6 | G103 F104 N347 L437 | G103-I349 WeakPolarHBondContact O-CG1 3.44Å; G103-I349 PolarHBondContact O-N 3.49Å; F104-I349 HydrophobicContact CB-CD1 4.4Å; F104-I349 HydrophobicContact CB-CG1 3.93Å; N347-I349 PolarHBondContact O-N 2.98Å; I349-L437 HydrophobicContact CB-CD2 3.67Å; I349-L437 HydrophobicContact CG2-CD2 3.95Å | ||
| 350 | G | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 150.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G103 D331 S348 N371 | G103-G350 PolarHBondContact O-N 3.33Å; D331-G350 WeakPolarHBondContact OD1-CA 3.41Å; S348-G350 PolarHBondContact OG-N 3.27Å; G350-N371 PolarHBondContact O-ND2 2.87Å |
| 351 | Q | 96.4 | Very high | 95.5 | Very high | 52 Ų | 52 | 27.4 Ų | 27.4 | 24% | 0.243 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -100.9 | 140.3 | 175.6 | -62.8 | -174.4 | 22.2 | 0 | 0 | 111 | D331 P334 P353 N371 T433 L437 | D331-Q351 WeakPolarHBondContact CB-O 3.44Å; D331-Q351 PolarHBondContact OD1-N 3.45Å; P334-Q351 WeakPolarHBondContact CG-O 3.15Å; Q351-P353 VanDerWaalsContact O-CD 3.22Å; Q351-P353 WeakPolarHBondContact O-CD 3.39Å; Q351-N371 VanDerWaalsContact CA-OD1 3.22Å; Q351-N371 WeakPolarHBondContact CA-OD1 3.23Å; Q351-T433 HydrophobicContact CG-CG2 4.16Å; Q351-L437 HydrophobicContact CG-CD1 4.41Å |
| 352 | V | 96.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -66 | 119.2 | 177.5 | 176.9 | 0 | 0 | 0 | 0 | 109.9 | P334 I344 V354 L357 L367 N371 | P334-V352 HydrophobicContact CB-CG2 3.87Å; I344-V352 HydrophobicContact CD1-CG2 3.75Å; V352-V354 VanDerWaalsContact C-N 3.3Å; V352-V354 HydrophobicContact CG1-CG1 3.92Å; V352-V354 PolarHBondContact O-N 3.24Å; V352-L357 HydrophobicContact CG1-CD1 4.12Å; V352-L367 HydrophobicContact CG1-CB 4.11Å; V352-L367 HydrophobicContact CG1-CD1 4.37Å; V352-L367 HydrophobicContact CG2-CB 4.45Å; V352-N371 HydrophobicContact CG2-CB 3.72Å; V352-N371 PolarHBondContact N-OD1 3.28Å |
| 353 | P | 96.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | trans | -85.4 | 74.7 | -179.6 | 37.9 | -37.5 | 0 | 0 | 0 | 109.8 | I327 L335 Q351 E355 F356 | I327-P353 HydrophobicContact CD1-CB 4.04Å; I327-P353 HydrophobicContact CD1-CG 3.76Å; I327-P353 HydrophobicContact CG1-CB 4.45Å; L335-P353 HydrophobicContact CB-CG 3.76Å; L335-P353 HydrophobicContact CD1-CG 4Å; L335-P353 HydrophobicContact CD2-CG 4.49Å; L335-P353 HydrophobicContact CG-CG 4.28Å; Q351-P353 VanDerWaalsContact O-CD 3.22Å; Q351-P353 WeakPolarHBondContact O-CD 3.39Å; P353-E355 PolarHBondContact O-N 3.44Å; P353-F356 HydrophobicContact CB-CD2 3.65Å; P353-F356 HydrophobicContact CB-CE2 4.05Å; P353-F356 HydrophobicContact CB-CG 4.46Å; P353-F356 HydrophobicContact CG-CD2 4.27Å; P353-F356 WeakPolarHBondContact O-CB 3.2Å; P353-F356 PolarHBondContact O-N 2.7Å | ||
| 354 | V | 95.7 | Very high | 95.5 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 7% | 0.073 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -55.3 | -26.2 | -173.7 | -64.5 | 0 | 0 | 0 | 0 | 114.3 | V352 F356 L357 K364 T368 I426 | V352-V354 VanDerWaalsContact C-N 3.3Å; V352-V354 HydrophobicContact CG1-CG1 3.92Å; V352-V354 PolarHBondContact O-N 3.24Å; V354-F356 PolarHBondContact O-N 3.39Å; V354-L357 PolarHBondContact O-N 3.49Å; V354-K364 HydrophobicContact CB-CB 4.36Å; V354-K364 HydrophobicContact CB-CD 4.25Å; V354-K364 HydrophobicContact CB-CG 4.42Å; V354-K364 HydrophobicContact CG1-CB 4.17Å; V354-T368 WeakPolarHBondContact CG1-OG1 3.17Å; V354-I426 HydrophobicContact CG2-CG2 4.13Å |
| 355 | E | 93.6 | Very high | 95.4 | Very high | 72 Ų | 72 | 34.6 Ų | 34.6 | 34% | 0.336 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -69.3 | -15.7 | 177.3 | 57.4 | -83.9 | -166.9 | 0 | 0 | 113.9 | P353 K430 | P353-E355 PolarHBondContact O-N 3.44Å; E355-K430 IonicContact OE2-NZ 3.53Å; E355-K430 PolarHBondContact OE2-NZ 2.83Å; E355-K430 VanDerWaalsContact OE2-NZ 3.13Å |
| 356 | F | 96.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -87.3 | -17.1 | 173.4 | -70.4 | -109.6 | 0 | 0 | 0 | 112.5 | L81 L285 I287 I292 V293 R325 I327 L335 P353 V354 | L81-F356 HydrophobicContact CD1-CB 4.07Å; L81-F356 HydrophobicContact CD1-CD1 3.48Å; L81-F356 VanDerWaalsContact CD1-CD1 3.48Å; L81-F356 HydrophobicContact CD1-CE1 4.16Å; L81-F356 HydrophobicContact CD1-CG 3.9Å; L285-F356 HydrophobicContact CD2-CE1 3.84Å; L285-F356 HydrophobicContact CD2-CZ 4.24Å; I287-F356 HydrophobicContact CD1-CD1 3.56Å; I287-F356 HydrophobicContact CD1-CE1 3.74Å; I292-F356 WeakPolarHBondContact CA-O 3.23Å; V293-F356 PolarHBondContact N-O 3.17Å; R325-F356 HydrophobicContact CB-CE1 3.89Å; R325-F356 HydrophobicContact CB-CE2 4.24Å; R325-F356 HydrophobicContact CB-CZ 3.51Å; R325-F356 HydrophobicContact CG-CE1 4.44Å; R325-F356 HydrophobicContact CG-CZ 4.28Å; I327-F356 HydrophobicContact CB-CZ 4.15Å; L335-F356 HydrophobicContact CD1-CB 4.17Å; P353-F356 HydrophobicContact CB-CD2 3.65Å; P353-F356 HydrophobicContact CB-CE2 4.05Å; P353-F356 HydrophobicContact CB-CG 4.46Å; P353-F356 HydrophobicContact CG-CD2 4.27Å; P353-F356 WeakPolarHBondContact O-CB 3.2Å; P353-F356 PolarHBondContact O-N 2.7Å; V354-F356 PolarHBondContact O-N 3.39Å |
| 357 | L | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -97.6 | 123.6 | -170.8 | -62.4 | 173.6 | 0 | 0 | 0 | 112.2 | G291 L335 L339 V352 V354 I359 K364 L367 | G291-L357 CarbonylContact O-C 3.57Å; G291-L357 WeakPolarHBondContact O-CA 3.27Å; L335-L357 HydrophobicContact CD1-CD2 3.8Å; L335-L357 HydrophobicContact CD1-CG 4.31Å; L339-L357 HydrophobicContact CD2-CD2 3.68Å; L339-L357 HydrophobicContact CG-CD2 4.09Å; V352-L357 HydrophobicContact CG1-CD1 4.12Å; V354-L357 PolarHBondContact O-N 3.49Å; L357-I359 HydrophobicContact CB-CD1 4.19Å; L357-I359 HydrophobicContact CB-CG1 4.09Å; L357-I359 HydrophobicContact CD1-CD1 4.17Å; L357-I359 PolarHBondContact O-N 3.32Å; L357-K364 WeakPolarHBondContact O-CE 3.35Å; L357-L367 HydrophobicContact CD1-CD1 3.6Å |
| 358 | K | 95.8 | Very high | 95.6 | Very high | 158 Ų | 158 | 36.2 Ų | 36.2 | 69% | 0.687 | 17% | 0.173 | S | C | * | . | trans | -91.6 | 71.7 | 172.1 | -169.5 | -179.3 | 179.2 | 179.3 | 0 | 110.3 | G291 I292 V293 | G291-K358 PolarHBondContact O-N 3.1Å; I292-K358 WeakPolarHBondContact O-CB 3.47Å; V293-K358 HydrophobicContact CG2-CB 4.17Å | ||
| 359 | I | 95.1 | Very high | 95.7 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -131.9 | 162.9 | 179.4 | 65.7 | 177.5 | 0 | 0 | 0 | 110.5 | P44 L357 D363 K364 L367 | P44-I359 HydrophobicContact CB-CG2 4.11Å; P44-I359 HydrophobicContact CG-CG2 3.61Å; L357-I359 HydrophobicContact CB-CD1 4.19Å; L357-I359 HydrophobicContact CB-CG1 4.09Å; L357-I359 HydrophobicContact CD1-CD1 4.17Å; L357-I359 PolarHBondContact O-N 3.32Å; I359-D363 HydrophobicContact CD1-CB 4.01Å; I359-D363 HydrophobicContact CG1-CB 4.45Å; I359-K364 HydrophobicContact CD1-CG 3.87Å; I359-K364 HydrophobicContact CG1-CD 4.5Å; I359-K364 HydrophobicContact CG1-CG 3.56Å; I359-K364 WeakPolarHBondContact O-CE 3.45Å; I359-L367 HydrophobicContact CD1-CD1 3.5Å; I359-L367 VanDerWaalsContact CD1-CD1 3.5Å |
| 360 | P | 95 | Very high | 95.7 | Very high | 82 Ų | 82 | 38.8 Ų | 38.8 | 53% | 0.532 | 18% | 0.181 | S | C | . | . | trans | -55.3 | 142.7 | 175.7 | -24.9 | 35.2 | 0 | 0 | 0 | 112.4 | Y362 D363 K364 | P360-Y362 PolarHBondContact O-N 2.83Å; P360-Y362 VanDerWaalsContact O-N 3.16Å; P360-D363 PolarHBondContact O-N 2.94Å; P360-K364 PolarHBondContact O-N 2.99Å; P360-K364 VanDerWaalsContact O-N 3.14Å | ||
| 361 | E | 93.3 | Very high | 95.6 | Very high | 79 Ų | 79 | 39 Ų | 39 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -56.5 | -33.9 | -179.2 | -68.7 | -59.6 | 128.5 | 0 | 0 | 112.9 | D363 K364 V365 Y422 | E361-D363 VanDerWaalsContact C-N 3.34Å; E361-D363 PolarHBondContact O-N 2.82Å; E361-K364 WeakPolarHBondContact O-CB 3.49Å; E361-K364 PolarHBondContact O-N 3.37Å; E361-K364 WeakPolarHBondContact OE1-CD 3.21Å; E361-K364 WeakPolarHBondContact OE1-CE 3.41Å; E361-K364 IonicContact OE1-NZ 3.25Å; E361-K364 PolarHBondContact OE1-NZ 3.45Å; E361-V365 WeakPolarHBondContact O-CG2 3.25Å; E361-V365 PolarHBondContact O-N 3.13Å; E361-V365 VanDerWaalsContact O-N 3.09Å; E361-Y422 HydrophobicContact CB-CD2 3.94Å; E361-Y422 HydrophobicContact CB-CG 4.34Å |
| 362 | Y | 93.1 | Very high | 95.6 | Very high | 105 Ų | 105 | 36.5 Ų | 36.5 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.5 | -38.8 | 174.2 | 176.6 | -108.6 | 0 | 0 | 0 | 113.1 | P360 V365 K366 Y422 | P360-Y362 PolarHBondContact O-N 2.83Å; P360-Y362 VanDerWaalsContact O-N 3.16Å; Y362-V365 WeakPolarHBondContact O-CB 3.36Å; Y362-V365 PolarHBondContact O-N 3.46Å; Y362-K366 HydrophobicContact CD1-CD 4.5Å; Y362-K366 HydrophobicContact CE1-CD 4.04Å; Y362-K366 VanDerWaalsContact CZ-CE 3.43Å; Y362-K366 PolarHBondContact O-N 3.4Å; Y362-K366 VanDerWaalsContact O-N 3.16Å; Y362-K366 VanDerWaalsContact OH-CE 3.26Å; Y362-K366 WeakPolarHBondContact OH-CE 3.43Å; Y362-Y422 AromaticContact CD2-CE1 3.81Å; Y362-Y422 HydrophobicContact CD2-CE1 3.81Å |
| 363 | D | 95.4 | Very high | 95.6 | Very high | 29 Ų | 29 | 38.8 Ų | 38.8 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -74.7 | -32.7 | 177 | -69.9 | -29.3 | 0 | 0 | 0 | 111.5 | I41 I359 P360 E361 V365 K366 L367 | I41-D363 HydrophobicContact CG2-CB 4.13Å; I359-D363 HydrophobicContact CD1-CB 4.01Å; I359-D363 HydrophobicContact CG1-CB 4.45Å; P360-D363 PolarHBondContact O-N 2.94Å; E361-D363 VanDerWaalsContact C-N 3.34Å; E361-D363 PolarHBondContact O-N 2.82Å; D363-V365 VanDerWaalsContact C-N 3.29Å; D363-V365 PolarHBondContact O-N 3.47Å; D363-K366 WeakPolarHBondContact O-CB 3.37Å; D363-K366 PolarHBondContact O-N 3.14Å; D363-K366 IonicContact OD1-NZ 3.62Å; D363-L367 WeakPolarHBondContact O-CG 3.42Å; D363-L367 PolarHBondContact O-N 3.42Å |
| 364 | K | 96.1 | Very high | 95.6 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 13% | 0.13 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -40.9 | 171.5 | -64.4 | -177.5 | 179.8 | 171.3 | 0 | 111.9 | V354 L357 I359 P360 E361 L367 T368 I426 | V354-K364 HydrophobicContact CB-CB 4.36Å; V354-K364 HydrophobicContact CB-CD 4.25Å; V354-K364 HydrophobicContact CB-CG 4.42Å; V354-K364 HydrophobicContact CG1-CB 4.17Å; L357-K364 WeakPolarHBondContact O-CE 3.35Å; I359-K364 HydrophobicContact CD1-CG 3.87Å; I359-K364 HydrophobicContact CG1-CD 4.5Å; I359-K364 HydrophobicContact CG1-CG 3.56Å; I359-K364 WeakPolarHBondContact O-CE 3.45Å; P360-K364 PolarHBondContact O-N 2.99Å; P360-K364 VanDerWaalsContact O-N 3.14Å; E361-K364 WeakPolarHBondContact O-CB 3.49Å; E361-K364 PolarHBondContact O-N 3.37Å; E361-K364 WeakPolarHBondContact OE1-CD 3.21Å; E361-K364 WeakPolarHBondContact OE1-CE 3.41Å; E361-K364 IonicContact OE1-NZ 3.25Å; E361-K364 PolarHBondContact OE1-NZ 3.45Å; K364-L367 PolarHBondContact O-N 3.03Å; K364-T368 WeakPolarHBondContact O-CB 3.48Å; K364-T368 PolarHBondContact O-N 3.34Å; K364-T368 PolarHBondContact O-OG1 2.79Å; K364-I426 HydrophobicContact CB-CD1 3.77Å |
| 365 | V | 95.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 174.1 | 171 | 0 | 0 | 0 | 0 | 110.9 | E361 Y362 D363 L367 T368 R369 I417 Y422 I426 | E361-V365 WeakPolarHBondContact O-CG2 3.25Å; E361-V365 PolarHBondContact O-N 3.13Å; E361-V365 VanDerWaalsContact O-N 3.09Å; Y362-V365 WeakPolarHBondContact O-CB 3.36Å; Y362-V365 PolarHBondContact O-N 3.46Å; D363-V365 VanDerWaalsContact C-N 3.29Å; D363-V365 PolarHBondContact O-N 3.47Å; V365-L367 VanDerWaalsContact C-N 3.33Å; V365-L367 PolarHBondContact O-N 3.18Å; V365-T368 PolarHBondContact O-N 3.49Å; V365-R369 VanDerWaalsContact O-CB 3.32Å; V365-R369 WeakPolarHBondContact O-CB 3.43Å; V365-R369 PolarHBondContact O-N 3.49Å; V365-I417 HydrophobicContact CG1-CD1 3.32Å; V365-I417 HydrophobicContact CG1-CG1 3.6Å; V365-Y422 HydrophobicContact CG2-CD1 3.82Å; V365-Y422 HydrophobicContact CG2-CG 4.03Å; V365-Y422 WeakPolarHBondContact CG2-O 3.46Å; V365-I426 HydrophobicContact CB-CG1 4.43Å; V365-I426 HydrophobicContact CG2-CD1 3.96Å; V365-I426 HydrophobicContact CG2-CG1 3.68Å |
| 366 | K | 95.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 35.4 Ų | 35.4 | 25% | 0.252 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -57.8 | -44.5 | 177.3 | -77.7 | 178.6 | 168.7 | 174.6 | 0 | 112.5 | N40 I41 Y362 D363 R369 A370 | N40-K366 PolarHBondContact O-NZ 3.41Å; N40-K366 VanDerWaalsContact O-NZ 3.12Å; I41-K366 HydrophobicContact CG2-CB 3.97Å; I41-K366 HydrophobicContact CG2-CD 3.81Å; Y362-K366 HydrophobicContact CD1-CD 4.5Å; Y362-K366 HydrophobicContact CE1-CD 4.04Å; Y362-K366 VanDerWaalsContact CZ-CE 3.43Å; Y362-K366 PolarHBondContact O-N 3.4Å; Y362-K366 VanDerWaalsContact O-N 3.16Å; Y362-K366 VanDerWaalsContact OH-CE 3.26Å; Y362-K366 WeakPolarHBondContact OH-CE 3.43Å; D363-K366 WeakPolarHBondContact O-CB 3.37Å; D363-K366 PolarHBondContact O-N 3.14Å; D363-K366 IonicContact OD1-NZ 3.62Å; K366-R369 PolarHBondContact O-N 2.7Å; K366-A370 WeakPolarHBondContact O-CB 3.47Å; K366-A370 PolarHBondContact O-N 2.76Å |
| 367 | L | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.4 | -48.1 | 177 | -73.1 | 175.8 | 0 | 0 | 0 | 111.7 | L39 I41 V352 L357 I359 D363 K364 V365 R369 A370 N371 | L39-L367 HydrophobicContact CD1-CD2 3.71Å; L39-L367 HydrophobicContact CD2-CD2 3.64Å; L39-L367 HydrophobicContact CG-CD2 4.2Å; I41-L367 HydrophobicContact CD1-CD1 4.19Å; I41-L367 HydrophobicContact CD1-CD2 3.54Å; I41-L367 HydrophobicContact CD1-CG 4Å; I41-L367 HydrophobicContact CG1-CD2 4.34Å; V352-L367 HydrophobicContact CG1-CB 4.11Å; V352-L367 HydrophobicContact CG1-CD1 4.37Å; V352-L367 HydrophobicContact CG2-CB 4.45Å; L357-L367 HydrophobicContact CD1-CD1 3.6Å; I359-L367 HydrophobicContact CD1-CD1 3.5Å; I359-L367 VanDerWaalsContact CD1-CD1 3.5Å; D363-L367 WeakPolarHBondContact O-CG 3.42Å; D363-L367 PolarHBondContact O-N 3.42Å; K364-L367 PolarHBondContact O-N 3.03Å; V365-L367 VanDerWaalsContact C-N 3.33Å; V365-L367 PolarHBondContact O-N 3.18Å; L367-R369 VanDerWaalsContact C-N 3.32Å; L367-R369 PolarHBondContact O-N 2.88Å; L367-A370 PolarHBondContact O-N 3.37Å; L367-N371 WeakPolarHBondContact O-CB 3.35Å; L367-N371 PolarHBondContact O-N 3.43Å |
| 368 | T | 96.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 179.1 | -49.3 | 0 | 0 | 0 | 0 | 110.9 | V354 K364 V365 N371 W372 I426 K430 | V354-T368 WeakPolarHBondContact CG1-OG1 3.17Å; K364-T368 WeakPolarHBondContact O-CB 3.48Å; K364-T368 PolarHBondContact O-N 3.34Å; K364-T368 PolarHBondContact O-OG1 2.79Å; V365-T368 PolarHBondContact O-N 3.49Å; T368-N371 PolarHBondContact O-N 2.8Å; T368-W372 WeakPolarHBondContact O-CB 3.29Å; T368-W372 PolarHBondContact O-N 3.38Å; T368-I426 HydrophobicContact CG2-CG2 4.34Å; T368-K430 HydrophobicContact CG2-CG 4.01Å |
| 369 | R | 96.2 | Very high | 95.5 | Very high | 95 Ų | 95 | 29.1 Ų | 29.1 | 36% | 0.358 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 174.9 | 178.8 | -179.7 | 168 | -177.6 | 1.9 | 112 | V365 K366 L367 N371 W372 L373 E414 Y429 | V365-R369 VanDerWaalsContact O-CB 3.32Å; V365-R369 WeakPolarHBondContact O-CB 3.43Å; V365-R369 PolarHBondContact O-N 3.49Å; K366-R369 PolarHBondContact O-N 2.7Å; L367-R369 VanDerWaalsContact C-N 3.32Å; L367-R369 PolarHBondContact O-N 2.88Å; R369-N371 VanDerWaalsContact C-N 3.32Å; R369-N371 PolarHBondContact O-N 3.38Å; R369-W372 WeakPolarHBondContact O-CB 3.41Å; R369-W372 PolarHBondContact O-N 3.28Å; R369-L373 HydrophobicContact CG-CD1 4.17Å; R369-L373 HydrophobicContact CG-CG 4.44Å; R369-L373 WeakPolarHBondContact O-CB 3.49Å; R369-L373 VanDerWaalsContact O-CG 3.28Å; R369-L373 WeakPolarHBondContact O-CG 3.44Å; R369-L373 PolarHBondContact O-N 2.89Å; R369-E414 WeakPolarHBondContact CD-OE1 3.5Å; R369-E414 IonicContact CZ-OE1 3.13Å; R369-E414 IonicContact CZ-OE2 3.14Å; R369-E414 IonicContact NE-OE1 2.95Å; R369-E414 PolarHBondContact NE-OE1 3.37Å; R369-E414 VanDerWaalsContact NH1-CD 3.26Å; R369-E414 IonicContact NH1-OE1 3.37Å; R369-E414 PolarHBondContact NH1-OE1 2.82Å; R369-E414 IonicContact NH1-OE2 3.53Å; R369-E414 PolarHBondContact NH1-OE2 3.48Å; R369-E414 IonicContact NH2-OE1 3.12Å; R369-E414 IonicContact NH2-OE2 3.29Å; R369-Y429 HydrophobicContact CB-CD2 4.27Å; R369-Y429 HydrophobicContact CB-CE1 4.48Å; R369-Y429 HydrophobicContact CB-CE2 3.9Å; R369-Y429 HydrophobicContact CG-CE1 4.19Å; R369-Y429 HydrophobicContact CG-CE2 4.1Å |
| 370 | A | 95.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.7 | -38.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I37 L39 K366 L367 L373 Q374 | I37-A370 HydrophobicContact CG2-CB 4.12Å; L39-A370 HydrophobicContact CD2-CB 3.36Å; K366-A370 WeakPolarHBondContact O-CB 3.47Å; K366-A370 PolarHBondContact O-N 2.76Å; L367-A370 PolarHBondContact O-N 3.37Å; A370-L373 PolarHBondContact O-N 3.26Å; A370-Q374 PolarHBondContact O-N 3.43Å |
| 371 | N | 96.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.6 | -46.4 | 173 | -177.3 | -156.2 | 0 | 0 | 0 | 112.1 | I344 G350 Q351 V352 L367 T368 R369 Q374 I375 | I344-N371 HydrophobicContact CD1-CB 3.57Å; G350-N371 PolarHBondContact O-ND2 2.87Å; Q351-N371 VanDerWaalsContact CA-OD1 3.22Å; Q351-N371 WeakPolarHBondContact CA-OD1 3.23Å; V352-N371 HydrophobicContact CG2-CB 3.72Å; V352-N371 PolarHBondContact N-OD1 3.28Å; L367-N371 WeakPolarHBondContact O-CB 3.35Å; L367-N371 PolarHBondContact O-N 3.43Å; T368-N371 PolarHBondContact O-N 2.8Å; R369-N371 VanDerWaalsContact C-N 3.32Å; R369-N371 PolarHBondContact O-N 3.38Å; N371-Q374 PolarHBondContact O-N 2.95Å; N371-I375 PolarHBondContact O-N 2.92Å; N371-I375 VanDerWaalsContact O-N 3.13Å |
| 372 | W | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -54 | -52.6 | 170.3 | 158.5 | -108.5 | 0 | 0 | 0 | 111.4 | T368 R369 Q374 I375 Y376 L401 I406 E410 Y429 L432 A436 | T368-W372 WeakPolarHBondContact O-CB 3.29Å; T368-W372 PolarHBondContact O-N 3.38Å; R369-W372 WeakPolarHBondContact O-CB 3.41Å; R369-W372 PolarHBondContact O-N 3.28Å; W372-Q374 VanDerWaalsContact C-N 3.26Å; W372-Q374 PolarHBondContact O-N 3.12Å; W372-I375 PolarHBondContact O-N 3.46Å; W372-Y376 HydrophobicContact CH2-CD2 4.38Å; W372-Y376 HydrophobicContact CH2-CG 4.36Å; W372-Y376 HydrophobicContact CZ2-CD1 4.33Å; W372-Y376 HydrophobicContact CZ2-CD2 4.24Å; W372-Y376 AromaticContact CZ2-CG 3.93Å; W372-Y376 HydrophobicContact CZ2-CG 3.93Å; W372-Y376 VanDerWaalsContact O-CB 3.25Å; W372-Y376 WeakPolarHBondContact O-CB 3.47Å; W372-Y376 PolarHBondContact O-N 3.46Å; W372-L401 HydrophobicContact CH2-CD2 4.24Å; W372-I406 HydrophobicContact CZ2-CG2 3.92Å; W372-E410 PolarHBondContact NE1-OE1 3.3Å; W372-Y429 HydrophobicContact CB-CD1 3.93Å; W372-Y429 AromaticContact CD1-CD1 3.74Å; W372-Y429 AromaticContact CD1-CE1 3.54Å; W372-Y429 AromaticContact CG-CD1 3.77Å; W372-Y429 HydrophobicContact CG-CD1 3.77Å; W372-Y429 HydrophobicContact CG-CE1 4.05Å; W372-L432 HydrophobicContact CD2-CB 4.2Å; W372-L432 HydrophobicContact CE3-CB 3.77Å; W372-L432 HydrophobicContact CH2-CB 4.05Å; W372-L432 HydrophobicContact CH2-CD2 4.15Å; W372-L432 HydrophobicContact CZ2-CB 4.47Å; W372-L432 HydrophobicContact CZ2-CD1 4.49Å; W372-L432 HydrophobicContact CZ2-CD2 4.49Å; W372-L432 HydrophobicContact CZ3-CB 3.68Å; W372-L432 WeakPolarHBondContact CZ3-O 3.43Å; W372-A436 HydrophobicContact CE3-CB 4.38Å; W372-A436 HydrophobicContact CH2-CB 4.2Å; W372-A436 HydrophobicContact CZ3-CB 3.51Å |
| 373 | L | 96 | Very high | 95.4 | Very high | 49 Ų | 49 | 23.8 Ų | 23.8 | 26% | 0.257 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -60.2 | -36.3 | -177.7 | -73.1 | 172.7 | 0 | 0 | 0 | 112.4 | I37 R369 A370 G377 | I37-L373 HydrophobicContact CD1-CB 4.4Å; I37-L373 HydrophobicContact CG1-CB 4.21Å; I37-L373 HydrophobicContact CG2-CB 4.17Å; I37-L373 HydrophobicContact CG2-CD1 4.25Å; R369-L373 HydrophobicContact CG-CD1 4.17Å; R369-L373 HydrophobicContact CG-CG 4.44Å; R369-L373 WeakPolarHBondContact O-CB 3.49Å; R369-L373 VanDerWaalsContact O-CG 3.28Å; R369-L373 WeakPolarHBondContact O-CG 3.44Å; R369-L373 PolarHBondContact O-N 2.89Å; A370-L373 PolarHBondContact O-N 3.26Å; L373-G377 PolarHBondContact O-N 3.48Å |
| 374 | Q | 95.7 | Very high | 95.2 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.9 | -48.5 | 176.7 | -168 | 59.9 | 51.6 | 0 | 0 | 111.4 | V346 A370 N371 W372 G377 Q378 | V346-Q374 PolarHBondContact O-NE2 3.46Å; A370-Q374 PolarHBondContact O-N 3.43Å; N371-Q374 PolarHBondContact O-N 2.95Å; W372-Q374 VanDerWaalsContact C-N 3.26Å; W372-Q374 PolarHBondContact O-N 3.12Å; Q374-G377 PolarHBondContact O-N 2.66Å; Q374-Q378 PolarHBondContact O-N 3.44Å; Q374-Q378 VanDerWaalsContact O-N 3.17Å |
| 375 | I | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.2 | -39.3 | 178.8 | -69.8 | 167.7 | 0 | 0 | 0 | 111 | N371 W372 G377 Q378 L379 T433 A436 L437 L440 | N371-I375 PolarHBondContact O-N 2.92Å; N371-I375 VanDerWaalsContact O-N 3.13Å; W372-I375 PolarHBondContact O-N 3.46Å; I375-G377 VanDerWaalsContact C-N 3.29Å; I375-G377 PolarHBondContact O-N 3.27Å; I375-Q378 WeakPolarHBondContact O-CB 3.42Å; I375-Q378 PolarHBondContact O-N 3.05Å; I375-L379 PolarHBondContact O-N 3.49Å; I375-T433 HydrophobicContact CD1-CG2 3.38Å; I375-A436 HydrophobicContact CG2-CB 3.86Å; I375-L437 HydrophobicContact CD1-CD2 4.09Å; I375-L437 HydrophobicContact CD1-CG 4.4Å; I375-L437 HydrophobicContact CG1-CD2 4.46Å; I375-L437 HydrophobicContact CG2-CD2 3.93Å; I375-L437 HydrophobicContact CG2-CG 4.16Å; I375-L440 HydrophobicContact CG2-CD1 3.9Å |
| 376 | Y | 95.5 | Very high | 94.5 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 6% | 0.063 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -35.9 | 172.8 | 175.1 | -135.2 | 0 | 0 | 0 | 112 | W372 L379 K380 M403 I406 | W372-Y376 HydrophobicContact CH2-CD2 4.38Å; W372-Y376 HydrophobicContact CH2-CG 4.36Å; W372-Y376 HydrophobicContact CZ2-CD1 4.33Å; W372-Y376 HydrophobicContact CZ2-CD2 4.24Å; W372-Y376 AromaticContact CZ2-CG 3.93Å; W372-Y376 HydrophobicContact CZ2-CG 3.93Å; W372-Y376 VanDerWaalsContact O-CB 3.25Å; W372-Y376 WeakPolarHBondContact O-CB 3.47Å; W372-Y376 PolarHBondContact O-N 3.46Å; Y376-L379 HydrophobicContact CD2-CD2 4.45Å; Y376-L379 PolarHBondContact O-N 2.95Å; Y376-K380 HydrophobicContact CD1-CD 4.41Å; Y376-K380 HydrophobicContact CD2-CD 4.43Å; Y376-K380 HydrophobicContact CD2-CG 4.03Å; Y376-K380 HydrophobicContact CE1-CD 3.83Å; Y376-K380 HydrophobicContact CE1-CG 4.43Å; Y376-K380 HydrophobicContact CE2-CD 3.82Å; Y376-K380 HydrophobicContact CE2-CG 3.5Å; Y376-K380 VanDerWaalsContact CE2-CG 3.5Å; Y376-K380 PolarHBondContact O-N 2.81Å; Y376-M403 HydrophobicContact CE2-CE 3.76Å; Y376-M403 HydrophobicContact CE2-SD 4.17Å; Y376-M403 VanDerWaalsContact OH-CE 3.3Å; Y376-M403 WeakPolarHBondContact OH-CE 3.34Å; Y376-I406 HydrophobicContact CD2-CD1 4.1Å; Y376-I406 HydrophobicContact CE1-CG2 4.23Å; Y376-I406 HydrophobicContact CE2-CD1 3.48Å; Y376-I406 VanDerWaalsContact CE2-CD1 3.48Å; Y376-I406 HydrophobicContact CE2-CG2 4.07Å |
| 377 | G | 94.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 31.6 Ų | 31.6 | 18% | 0.175 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.1 | -49.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L373 Q374 I375 L379 K380 I381 | L373-G377 PolarHBondContact O-N 3.48Å; Q374-G377 PolarHBondContact O-N 2.66Å; I375-G377 VanDerWaalsContact C-N 3.29Å; I375-G377 PolarHBondContact O-N 3.27Å; G377-L379 VanDerWaalsContact C-N 3.34Å; G377-L379 PolarHBondContact O-N 3.2Å; G377-K380 PolarHBondContact O-N 2.77Å; G377-I381 WeakPolarHBondContact O-CG1 3.44Å; G377-I381 PolarHBondContact O-N 3.42Å |
| 378 | Q | 95.4 | Very high | 93.7 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.2 | -47 | 173.8 | -63 | 178.9 | 51.8 | 0 | 0 | 111.3 | T31 M34 V346 S348 Q374 I375 K380 I381 K382 L440 | T31-Q378 HydrophobicContact CG2-CB 4.3Å; T31-Q378 WeakPolarHBondContact OG1-CG 3.08Å; M34-Q378 HydrophobicContact CE-CG 3.87Å; M34-Q378 HydrophobicContact SD-CB 4.16Å; M34-Q378 HydrophobicContact SD-CG 3.14Å; M34-Q378 WeakPolarHBondContact SD-CG 3.19Å; V346-Q378 PolarHBondContact O-NE2 2.87Å; S348-Q378 PolarHBondContact O-NE2 3.03Å; Q374-Q378 PolarHBondContact O-N 3.44Å; Q374-Q378 VanDerWaalsContact O-N 3.17Å; I375-Q378 WeakPolarHBondContact O-CB 3.42Å; I375-Q378 PolarHBondContact O-N 3.05Å; Q378-K380 PolarHBondContact O-N 3.44Å; Q378-I381 PolarHBondContact O-N 2.91Å; Q378-K382 PolarHBondContact O-N 3.27Å; Q378-K382 VanDerWaalsContact O-N 3.1Å; Q378-L440 HydrophobicContact CB-CD1 3.98Å; Q378-L440 HydrophobicContact CB-CD2 3.8Å |
| 379 | L | 95.4 | Very high | 93 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61 | -45 | -177.2 | -178.3 | 65.7 | 0 | 0 | 0 | 111.6 | I375 Y376 G377 I381 K382 Y383 L401 A436 L440 Y443 | I375-L379 PolarHBondContact O-N 3.49Å; Y376-L379 HydrophobicContact CD2-CD2 4.45Å; Y376-L379 PolarHBondContact O-N 2.95Å; G377-L379 VanDerWaalsContact C-N 3.34Å; G377-L379 PolarHBondContact O-N 3.2Å; L379-I381 VanDerWaalsContact C-N 3.31Å; L379-I381 PolarHBondContact O-N 2.9Å; L379-K382 PolarHBondContact O-N 3.1Å; L379-Y383 WeakPolarHBondContact O-CB 3.3Å; L379-Y383 PolarHBondContact O-N 3.21Å; L379-L401 HydrophobicContact CD2-CD2 3.8Å; L379-A436 HydrophobicContact CD2-CB 3.9Å; L379-L440 HydrophobicContact CB-CD2 4.25Å; L379-L440 HydrophobicContact CB-CG 4.26Å; L379-L440 HydrophobicContact CD1-CD2 4.35Å; L379-L440 HydrophobicContact CD1-CG 4.17Å; L379-Y443 HydrophobicContact CD1-CD2 3.6Å; L379-Y443 HydrophobicContact CD1-CE2 3.79Å |
| 380 | K | 94.6 | Very high | 92.2 | Very high | 90 Ų | 90 | 36.3 Ų | 36.3 | 39% | 0.391 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.9 | -42.8 | 177.6 | -82.6 | -176.1 | -68.8 | -170.6 | 0 | 112.5 | Y376 G377 Q378 A384 M403 | Y376-K380 HydrophobicContact CD1-CD 4.41Å; Y376-K380 HydrophobicContact CD2-CD 4.43Å; Y376-K380 HydrophobicContact CD2-CG 4.03Å; Y376-K380 HydrophobicContact CE1-CD 3.83Å; Y376-K380 HydrophobicContact CE1-CG 4.43Å; Y376-K380 HydrophobicContact CE2-CD 3.82Å; Y376-K380 HydrophobicContact CE2-CG 3.5Å; Y376-K380 VanDerWaalsContact CE2-CG 3.5Å; Y376-K380 PolarHBondContact O-N 2.81Å; G377-K380 PolarHBondContact O-N 2.77Å; Q378-K380 PolarHBondContact O-N 3.44Å; K380-A384 VanDerWaalsContact O-CB 3.3Å; K380-A384 WeakPolarHBondContact O-CB 3.29Å; K380-A384 PolarHBondContact O-N 3.44Å; K380-M403 HydrophobicContact CD-CE 4.39Å; K380-M403 HydrophobicContact CG-CE 3.79Å |
| 381 | I | 93.3 | Very high | 91.2 | Very high | 51 Ų | 51 | 39.4 Ų | 39.4 | 26% | 0.262 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.2 | -50.8 | -179.7 | -66.1 | 167.4 | 0 | 0 | 0 | 109.6 | M34 G377 Q378 L379 Y383 A384 E385 | M34-I381 HydrophobicContact CB-CD1 4.42Å; M34-I381 HydrophobicContact CG-CD1 3.45Å; M34-I381 VanDerWaalsContact CG-CD1 3.45Å; G377-I381 WeakPolarHBondContact O-CG1 3.44Å; G377-I381 PolarHBondContact O-N 3.42Å; Q378-I381 PolarHBondContact O-N 2.91Å; L379-I381 VanDerWaalsContact C-N 3.31Å; L379-I381 PolarHBondContact O-N 2.9Å; I381-Y383 VanDerWaalsContact C-N 3.35Å; I381-Y383 PolarHBondContact O-N 3.42Å; I381-A384 PolarHBondContact O-N 2.89Å; I381-E385 WeakPolarHBondContact O-CB 3.33Å; I381-E385 PolarHBondContact O-N 3.29Å |
| 382 | K | 92.1 | Very high | 90.3 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 7% | 0.065 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 177.5 | -69 | -153.6 | 179.3 | -173.5 | 0 | 112.4 | P29 T31 Q378 L379 A384 E385 K386 L440 | P29-K382 VanDerWaalsContact O-CE 3.26Å; P29-K382 WeakPolarHBondContact O-CE 3.49Å; P29-K382 PolarHBondContact O-NZ 3.28Å; T31-K382 HydrophobicContact CG2-CD 4.08Å; T31-K382 VanDerWaalsContact CG2-CE 3.41Å; T31-K382 HydrophobicContact CG2-CG 3.5Å; T31-K382 VanDerWaalsContact CG2-CG 3.5Å; Q378-K382 PolarHBondContact O-N 3.27Å; Q378-K382 VanDerWaalsContact O-N 3.1Å; L379-K382 PolarHBondContact O-N 3.1Å; K382-A384 PolarHBondContact O-N 3.46Å; K382-E385 PolarHBondContact O-N 3.25Å; K382-K386 WeakPolarHBondContact O-CB 3.22Å; K382-K386 WeakPolarHBondContact O-CG 3.29Å; K382-K386 PolarHBondContact O-N 3.46Å; K382-L440 HydrophobicContact CB-CD2 4.48Å; K382-L440 HydrophobicContact CD-CD2 3.86Å; K382-L440 HydrophobicContact CG-CD2 4.1Å |
| 383 | Y | 93.7 | Very high | 89.4 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 9% | 0.086 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.4 | -49.8 | 175.2 | 171.2 | -84.5 | 0 | 0 | 0 | 111 | L379 I381 E385 K386 K387 F395 E397 M403 Y443 | L379-Y383 WeakPolarHBondContact O-CB 3.3Å; L379-Y383 PolarHBondContact O-N 3.21Å; I381-Y383 VanDerWaalsContact C-N 3.35Å; I381-Y383 PolarHBondContact O-N 3.42Å; Y383-E385 PolarHBondContact O-N 3.21Å; Y383-K386 PolarHBondContact O-N 3.34Å; Y383-K387 HydrophobicContact CE1-CB 4.4Å; Y383-K387 HydrophobicContact CE1-CD 3.61Å; Y383-K387 VanDerWaalsContact O-CB 3.24Å; Y383-K387 WeakPolarHBondContact O-CB 3.31Å; Y383-K387 PolarHBondContact O-N 2.91Å; Y383-K387 WeakPolarHBondContact OH-CD 3.44Å; Y383-K387 PolarHBondContact OH-NZ 3.39Å; Y383-F395 HydrophobicContact CD2-CE1 4.16Å; Y383-F395 AromaticContact CD2-CZ 3.96Å; Y383-F395 HydrophobicContact CD2-CZ 3.96Å; Y383-F395 AromaticContact CE2-CE1 3.57Å; Y383-F395 HydrophobicContact CE2-CE1 3.57Å; Y383-F395 AromaticContact CE2-CZ 3.86Å; Y383-F395 HydrophobicContact CE2-CZ 3.86Å; Y383-F395 AromaticContact CZ-CE1 3.9Å; Y383-E397 HydrophobicContact CE2-CG 3.88Å; Y383-E397 PolarHBondContact OH-OE1 3.47Å; Y383-M403 HydrophobicContact CD1-CG 4.19Å; Y383-M403 HydrophobicContact CD2-CG 3.78Å; Y383-M403 HydrophobicContact CD2-SD 4.43Å; Y383-M403 HydrophobicContact CE1-CG 4.02Å; Y383-M403 HydrophobicContact CE2-CG 3.56Å; Y383-M403 HydrophobicContact CG-CG 4.1Å; Y383-M403 HydrophobicContact CG-SD 4.41Å; Y383-Y443 HydrophobicContact CD2-CE1 4.29Å; Y383-Y443 HydrophobicContact CD2-CE2 4.2Å; Y383-Y443 AromaticContact CD2-CZ 3.71Å; Y383-Y443 WeakPolarHBondContact CD2-OH 3.44Å |
| 384 | A | 91.4 | Very high | 88.8 | Confident | 54 Ų | 54 | 54.4 Ų | 54.4 | 45% | 0.446 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K380 I381 K382 K388 | K380-A384 VanDerWaalsContact O-CB 3.3Å; K380-A384 WeakPolarHBondContact O-CB 3.29Å; K380-A384 PolarHBondContact O-N 3.44Å; I381-A384 PolarHBondContact O-N 2.89Å; K382-A384 PolarHBondContact O-N 3.46Å; A384-K388 VanDerWaalsContact O-CB 3.25Å; A384-K388 WeakPolarHBondContact O-CB 3.32Å; A384-K388 PolarHBondContact O-N 2.81Å |
| 385 | E | 88.3 | Confident | 88.5 | Confident | 110 Ų | 110 | 55.1 Ų | 55.1 | 51% | 0.514 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.3 | -48.7 | 174.8 | -170.6 | -166 | 146.3 | 0 | 0 | 111.6 | I381 K382 Y383 K388 S389 | I381-E385 WeakPolarHBondContact O-CB 3.33Å; I381-E385 PolarHBondContact O-N 3.29Å; K382-E385 PolarHBondContact O-N 3.25Å; Y383-E385 PolarHBondContact O-N 3.21Å; E385-K388 PolarHBondContact O-N 3.35Å; E385-S389 PolarHBondContact O-N 2.73Å; E385-S389 VanDerWaalsContact O-N 3.17Å; E385-S389 PolarHBondContact O-OG 2.86Å |
| 386 | K | 88.7 | Confident | 88.2 | Confident | 31 Ų | 31 | 64 Ų | 64 | 14% | 0.135 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.3 | -36.1 | 179.2 | -63.8 | -53.3 | 179.7 | -171.6 | 0 | 113 | K382 Y383 S389 H390 F395 Y443 D447 | K382-K386 WeakPolarHBondContact O-CB 3.22Å; K382-K386 WeakPolarHBondContact O-CG 3.29Å; K382-K386 PolarHBondContact O-N 3.46Å; Y383-K386 PolarHBondContact O-N 3.34Å; K386-S389 VanDerWaalsContact CA-OG 3.32Å; K386-S389 WeakPolarHBondContact CA-OG 3.33Å; K386-S389 PolarHBondContact O-N 3.21Å; K386-S389 PolarHBondContact O-OG 3.29Å; K386-H390 PolarHBondContact O-N 3.45Å; K386-H390 PolarHBondContact O-ND1 3.11Å; K386-F395 HydrophobicContact CB-CE2 3.84Å; K386-Y443 HydrophobicContact CB-CD1 4.25Å; K386-Y443 WeakPolarHBondContact CE-O 3.5Å; K386-Y443 HydrophobicContact CG-CD1 4.31Å; K386-D447 WeakPolarHBondContact CE-OD2 3.49Å; K386-D447 IonicContact NZ-OD2 2.76Å; K386-D447 PolarHBondContact NZ-OD2 2.96Å |
| 387 | K | 89.1 | Confident | 88.1 | Confident | 88 Ų | 88 | 66.2 Ų | 66.2 | 38% | 0.383 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 175.1 | -172.7 | 173.4 | -172.7 | 170 | 0 | 112.4 | Y383 S389 H390 F395 | Y383-K387 HydrophobicContact CE1-CB 4.4Å; Y383-K387 HydrophobicContact CE1-CD 3.61Å; Y383-K387 VanDerWaalsContact O-CB 3.24Å; Y383-K387 WeakPolarHBondContact O-CB 3.31Å; Y383-K387 PolarHBondContact O-N 2.91Å; Y383-K387 WeakPolarHBondContact OH-CD 3.44Å; Y383-K387 PolarHBondContact OH-NZ 3.39Å; K387-S389 VanDerWaalsContact C-N 3.33Å; K387-H390 PolarHBondContact O-N 3.34Å; K387-F395 HydrophobicContact CB-CD1 4.12Å; K387-F395 HydrophobicContact CB-CD2 4.46Å; K387-F395 HydrophobicContact CB-CE1 3.87Å; K387-F395 HydrophobicContact CB-CE2 4.27Å; K387-F395 HydrophobicContact CB-CG 4.38Å; K387-F395 HydrophobicContact CB-CZ 3.95Å; K387-F395 HydrophobicContact CD-CD1 4.34Å; K387-F395 HydrophobicContact CD-CE1 4.21Å; K387-F395 HydrophobicContact CG-CD1 3.93Å; K387-F395 HydrophobicContact CG-CE1 4.05Å; K387-F395 HydrophobicContact CG-CG 4.36Å |
| 388 | K | 86 | Confident | 88 | Confident | 154 Ų | 154 | 66.6 Ų | 66.6 | 67% | 0.67 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -70.2 | -30.2 | 178.7 | -175.6 | -179.1 | 175.7 | -172 | 0 | 112.7 | A384 E385 H390 | A384-K388 VanDerWaalsContact O-CB 3.25Å; A384-K388 WeakPolarHBondContact O-CB 3.32Å; A384-K388 PolarHBondContact O-N 2.81Å; E385-K388 PolarHBondContact O-N 3.35Å; K388-H390 VanDerWaalsContact C-N 3.34Å |
| 389 | S | 81.3 | Confident | 87.8 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -78 | -16.8 | 177.4 | 45.1 | 0 | 0 | 0 | 0 | 113.2 | E385 K386 K387 F508 W512 | E385-S389 PolarHBondContact O-N 2.73Å; E385-S389 VanDerWaalsContact O-N 3.17Å; E385-S389 PolarHBondContact O-OG 2.86Å; K386-S389 VanDerWaalsContact CA-OG 3.32Å; K386-S389 WeakPolarHBondContact CA-OG 3.33Å; K386-S389 PolarHBondContact O-N 3.21Å; K386-S389 PolarHBondContact O-OG 3.29Å; K387-S389 VanDerWaalsContact C-N 3.33Å; S389-F508 WeakPolarHBondContact O-CD1 3.18Å; S389-W512 PolarHBondContact O-NE1 3.43Å |
| 390 | H | 80.5 | Confident | 87.6 | Confident | 28 Ų | 28 | 74 Ų | 74 | 13% | 0.13 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -114.3 | 156.7 | -176.5 | -69.1 | 75.3 | 0 | 0 | 0 | 112.8 | K386 K387 K388 S392 F395 Y446 D447 W512 | K386-H390 PolarHBondContact O-N 3.45Å; K386-H390 PolarHBondContact O-ND1 3.11Å; K387-H390 PolarHBondContact O-N 3.34Å; K388-H390 VanDerWaalsContact C-N 3.34Å; H390-S392 PolarHBondContact O-N 2.98Å; H390-F395 HydrophobicContact CB-CB 4.06Å; H390-F395 HydrophobicContact CB-CD2 4.41Å; H390-Y446 AromaticContact CE1-CD1 3.99Å; H390-Y446 AromaticContact CE1-CE1 3.85Å; H390-Y446 AromaticContact NE2-CE1 3.83Å; H390-D447 IonicContact CE1-OD1 3.93Å; H390-D447 PolarHBondContact CE1-OD1 2.93Å; H390-D447 IonicContact NE2-OD1 2.55Å; H390-D447 PolarHBondContact NE2-OD1 3.46Å; H390-W512 AromaticContact CE1-CZ2 3.95Å; H390-W512 AromaticContact NE2-CZ2 3.95Å |
| 391 | F | 75.5 | Confident | 87.5 | Confident | 73 Ų | 73 | 70 Ų | 70 | 32% | 0.32 | 36% | 0.358 | S | S | . | . | trans | -60.8 | 130.9 | 163.3 | -71.6 | -80.2 | 0 | 0 | 0 | 109.5 | I393 L394 F395 L504 F508 | F391-I393 HydrophobicContact CB-CG2 4.29Å; F391-I393 PolarHBondContact O-N 3.19Å; F391-L394 HydrophobicContact CB-CB 4.35Å; F391-L394 HydrophobicContact CB-CD1 4.3Å; F391-L394 HydrophobicContact CB-CG 4.27Å; F391-L394 HydrophobicContact CD2-CD1 4.23Å; F391-L394 PolarHBondContact O-N 2.9Å; F391-F395 PolarHBondContact O-N 2.89Å; F391-L504 HydrophobicContact CE1-CD1 4.22Å; F391-L504 HydrophobicContact CE2-CD1 4.11Å; F391-L504 HydrophobicContact CE2-CD2 3.68Å; F391-L504 HydrophobicContact CE2-CG 3.76Å; F391-L504 HydrophobicContact CZ-CD1 3.37Å; F391-L504 HydrophobicContact CZ-CD2 3.82Å; F391-L504 HydrophobicContact CZ-CG 3.52Å; F391-F508 HydrophobicContact CD1-CE2 4.05Å; F391-F508 AromaticContact CD1-CZ 3.65Å; F391-F508 HydrophobicContact CD1-CZ 3.65Å; F391-F508 HydrophobicContact CD2-CE2 4.22Å; F391-F508 HydrophobicContact CD2-CZ 4.1Å; F391-F508 AromaticContact CE1-CE2 3.31Å; F391-F508 HydrophobicContact CE1-CE2 3.31Å; F391-F508 AromaticContact CE1-CZ 3.38Å; F391-F508 HydrophobicContact CE1-CZ 3.38Å; F391-F508 HydrophobicContact CE2-CD2 4.04Å; F391-F508 AromaticContact CE2-CE2 3.49Å; F391-F508 HydrophobicContact CE2-CE2 3.49Å; F391-F508 VanDerWaalsContact CE2-CE2 3.49Å; F391-F508 AromaticContact CE2-CZ 3.84Å; F391-F508 HydrophobicContact CE2-CZ 3.84Å; F391-F508 HydrophobicContact CG-CE2 4.45Å; F391-F508 HydrophobicContact CG-CZ 4.01Å; F391-F508 AromaticContact CZ-CD2 3.82Å; F391-F508 HydrophobicContact CZ-CD2 3.82Å; F391-F508 AromaticContact CZ-CE2 2.97Å; F391-F508 HydrophobicContact CZ-CE2 2.97Å; F391-F508 AromaticContact CZ-CZ 3.47Å; F391-F508 HydrophobicContact CZ-CZ 3.47Å; F391-F508 VanDerWaalsContact CZ-CZ 3.47Å | ||
| 392 | S | 75.7 | Confident | 87.4 | Confident | 102 Ų | 102 | 72.1 Ų | 72.1 | 71% | 0.713 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -29.3 | -178.5 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | H390 | H390-S392 PolarHBondContact O-N 2.98Š|
| 393 | I | 79.3 | Confident | 87.3 | Confident | 151 Ų | 151 | 73.3 Ų | 73.3 | 77% | 0.774 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -25.6 | 177.6 | -159.7 | 166.5 | 0 | 0 | 0 | 113.9 | F391 | F391-I393 HydrophobicContact CB-CG2 4.29Å; F391-I393 PolarHBondContact O-N 3.19Å |
| 394 | L | 81.8 | Confident | 87.1 | Confident | 115 Ų | 115 | 75.8 Ų | 75.8 | 60% | 0.602 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -24.7 | 179.8 | -63.9 | 179.1 | 0 | 0 | 0 | 112 | F391 R396 | F391-L394 HydrophobicContact CB-CB 4.35Å; F391-L394 HydrophobicContact CB-CD1 4.3Å; F391-L394 HydrophobicContact CB-CG 4.27Å; F391-L394 HydrophobicContact CD2-CD1 4.23Å; F391-L394 PolarHBondContact O-N 2.9Å; L394-R396 PolarHBondContact O-N 2.91Å |
| 395 | F | 89.3 | Confident | 87 | Confident | 17 Ų | 17 | 76.5 Ų | 76.5 | 8% | 0.075 | 39% | 0.388 | C | S | . | . | trans | -61.7 | 130 | 174.6 | -179.9 | -108.3 | 0 | 0 | 0 | 110.3 | Y383 K386 K387 H390 F391 E397 Y443 Y446 | Y383-F395 HydrophobicContact CD2-CE1 4.16Å; Y383-F395 AromaticContact CD2-CZ 3.96Å; Y383-F395 HydrophobicContact CD2-CZ 3.96Å; Y383-F395 AromaticContact CE2-CE1 3.57Å; Y383-F395 HydrophobicContact CE2-CE1 3.57Å; Y383-F395 AromaticContact CE2-CZ 3.86Å; Y383-F395 HydrophobicContact CE2-CZ 3.86Å; Y383-F395 AromaticContact CZ-CE1 3.9Å; K386-F395 HydrophobicContact CB-CE2 3.84Å; K387-F395 HydrophobicContact CB-CD1 4.12Å; K387-F395 HydrophobicContact CB-CD2 4.46Å; K387-F395 HydrophobicContact CB-CE1 3.87Å; K387-F395 HydrophobicContact CB-CE2 4.27Å; K387-F395 HydrophobicContact CB-CG 4.38Å; K387-F395 HydrophobicContact CB-CZ 3.95Å; K387-F395 HydrophobicContact CD-CD1 4.34Å; K387-F395 HydrophobicContact CD-CE1 4.21Å; K387-F395 HydrophobicContact CG-CD1 3.93Å; K387-F395 HydrophobicContact CG-CE1 4.05Å; K387-F395 HydrophobicContact CG-CG 4.36Å; H390-F395 HydrophobicContact CB-CB 4.06Å; H390-F395 HydrophobicContact CB-CD2 4.41Å; F391-F395 PolarHBondContact O-N 2.89Å; F395-E397 HydrophobicContact CD1-CG 4.34Å; F395-E397 HydrophobicContact CE1-CG 3.87Å; F395-Y443 HydrophobicContact CE2-CD1 4.45Å; F395-Y443 AromaticContact CE2-CE1 3.95Å; F395-Y443 HydrophobicContact CE2-CE1 3.95Å; F395-Y443 HydrophobicContact CZ-CD1 4.46Å; F395-Y443 AromaticContact CZ-CE1 3.64Å; F395-Y443 HydrophobicContact CZ-CE1 3.64Å; F395-Y446 HydrophobicContact CD2-CE1 4.27Å; F395-Y446 AromaticContact CD2-CZ 3.94Å; F395-Y446 HydrophobicContact CE2-CE2 4.43Å | ||
| 396 | R | 90.9 | Very high | 87.3 | Confident | 188 Ų | 188 | 71.2 Ų | 71.2 | 71% | 0.709 | 36% | 0.364 | S | S | * | . | trans | -115 | 122.5 | 179.3 | -68.2 | -173.9 | 178.3 | -168.3 | -0.6 | 108.7 | L394 Y442 Y446 | L394-R396 PolarHBondContact O-N 2.91Å; R396-Y442 PolarHBondContact O-OH 3.38Å; R396-Y446 PolarHBondContact N-OH 2.93Å; R396-Y446 WeakPolarHBondContact O-CE2 3.21Å | ||
| 397 | E | 92.7 | Very high | 87.4 | Confident | 62 Ų | 62 | 74.1 Ų | 74.1 | 29% | 0.29 | 38% | 0.381 | S | S | . | . | trans | -72.9 | 155.5 | 174.1 | -55.2 | -161.9 | 168 | 0 | 0 | 111 | Y383 F395 P399 Y443 | Y383-E397 HydrophobicContact CE2-CG 3.88Å; Y383-E397 PolarHBondContact OH-OE1 3.47Å; F395-E397 HydrophobicContact CD1-CG 4.34Å; F395-E397 HydrophobicContact CE1-CG 3.87Å; E397-P399 WeakPolarHBondContact O-CD 3.34Å; E397-Y443 WeakPolarHBondContact CA-OH 3.46Å | ||
| 398 | F | 93.8 | Very high | 87.6 | Confident | 24 Ų | 24 | 75 Ų | 75 | 11% | 0.105 | 39% | 0.389 | C | S | . | . | trans | -62.8 | 117.3 | 173.7 | 179.8 | -121.9 | 0 | 0 | 0 | 109.1 | S400 L401 L435 N438 Y442 Y443 | F398-S400 VanDerWaalsContact C-N 3.27Å; F398-S400 PolarHBondContact O-N 3.17Å; F398-L401 HydrophobicContact CD1-CB 3.84Å; F398-L401 HydrophobicContact CE1-CB 4.19Å; F398-L401 CarbonylContact O-C 3.59Å; F398-L401 PolarHBondContact O-N 3.15Å; F398-L435 WeakPolarHBondContact CE1-O 3.47Å; F398-N438 HydrophobicContact CE1-CB 4.31Å; F398-N438 HydrophobicContact CZ-CB 3.86Å; F398-Y442 HydrophobicContact CB-CD1 3.88Å; F398-Y442 HydrophobicContact CB-CE1 4.29Å; F398-Y442 HydrophobicContact CB-CG 4.38Å; F398-Y442 HydrophobicContact CD2-CD1 4.09Å; F398-Y442 HydrophobicContact CD2-CD2 4.09Å; F398-Y442 AromaticContact CD2-CG 3.71Å; F398-Y442 HydrophobicContact CD2-CG 3.71Å; F398-Y442 HydrophobicContact CG-CD1 4.4Å; F398-Y442 HydrophobicContact CG-CG 4.42Å; F398-Y443 HydrophobicContact CB-CE2 4.08Å; F398-Y443 PolarHBondContact N-OH 3.01Å | ||
| 399 | P | 91.3 | Very high | 88 | Confident | 93 Ų | 93 | 70.2 Ų | 70.2 | 60% | 0.604 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -29.8 | -165.5 | 23.6 | -34.7 | 0 | 0 | 0 | 113.4 | E397 | E397-P399 WeakPolarHBondContact O-CD 3.34Š|
| 400 | S | 91.1 | Very high | 88.6 | Confident | 73 Ų | 73 | 71.3 Ų | 71.3 | 51% | 0.51 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -13.2 | -177.6 | -50.3 | 0 | 0 | 0 | 0 | 113.8 | F398 | F398-S400 VanDerWaalsContact C-N 3.27Å; F398-S400 PolarHBondContact O-N 3.17Å |
| 401 | L | 92.1 | Very high | 89.3 | Confident | 6 Ų | 6 | 74.9 Ų | 74.9 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -149.7 | 88.7 | 178.6 | -169.9 | 70.9 | 0 | 0 | 0 | 110.3 | W372 L379 F398 I406 M409 L432 L435 A436 | W372-L401 HydrophobicContact CH2-CD2 4.24Å; L379-L401 HydrophobicContact CD2-CD2 3.8Å; F398-L401 HydrophobicContact CD1-CB 3.84Å; F398-L401 HydrophobicContact CE1-CB 4.19Å; F398-L401 CarbonylContact O-C 3.59Å; F398-L401 PolarHBondContact O-N 3.15Å; L401-I406 HydrophobicContact CD1-CD1 4.43Å; L401-I406 HydrophobicContact CD1-CG1 3.79Å; L401-I406 HydrophobicContact CD2-CD1 4.18Å; L401-I406 HydrophobicContact CD2-CG1 4.41Å; L401-I406 HydrophobicContact CG-CD1 3.99Å; L401-I406 HydrophobicContact CG-CG1 3.89Å; L401-M409 HydrophobicContact CD1-SD 3.98Å; L401-L432 HydrophobicContact CD1-CD2 3.95Å; L401-L435 HydrophobicContact CB-CB 4.29Å; L401-L435 HydrophobicContact CD1-CB 4.41Å; L401-L435 HydrophobicContact CD1-CD1 4.34Å; L401-L435 HydrophobicContact CD2-CB 4.18Å; L401-A436 HydrophobicContact CD2-CB 4.03Å |
| 402 | K | 91.8 | Very high | 90.2 | Very high | 96 Ų | 96 | 75.3 Ų | 75.3 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | trans | -81.8 | 145.3 | 176.6 | -61.7 | 177.9 | -175.5 | 169 | 0 | 110.7 | S404 D405 I406 | K402-S404 PolarHBondContact O-N 3.33Å; K402-S404 VanDerWaalsContact O-N 3.15Å; K402-D405 HydrophobicContact CB-CB 4.47Å; K402-D405 PolarHBondContact O-N 3.24Å; K402-I406 WeakPolarHBondContact O-CG1 3.39Å; K402-I406 PolarHBondContact O-N 2.95Å | ||
| 403 | M | 89.5 | Confident | 91.1 | Very high | 40 Ų | 40 | 70.5 Ų | 70.5 | 20% | 0.197 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.6 | -26.6 | -179.6 | -70.1 | -59.6 | -56 | 0 | 0 | 113.2 | Y376 K380 Y383 I406 | Y376-M403 HydrophobicContact CE2-CE 3.76Å; Y376-M403 HydrophobicContact CE2-SD 4.17Å; Y376-M403 VanDerWaalsContact OH-CE 3.3Å; Y376-M403 WeakPolarHBondContact OH-CE 3.34Å; K380-M403 HydrophobicContact CD-CE 4.39Å; K380-M403 HydrophobicContact CG-CE 3.79Å; Y383-M403 HydrophobicContact CD1-CG 4.19Å; Y383-M403 HydrophobicContact CD2-CG 3.78Å; Y383-M403 HydrophobicContact CD2-SD 4.43Å; Y383-M403 HydrophobicContact CE1-CG 4.02Å; Y383-M403 HydrophobicContact CE2-CG 3.56Å; Y383-M403 HydrophobicContact CG-CG 4.1Å; Y383-M403 HydrophobicContact CG-SD 4.41Å; M403-I406 HydrophobicContact CE-CD1 4.31Å; M403-I406 HydrophobicContact SD-CD1 3.71Å |
| 404 | S | 88.8 | Confident | 91.9 | Very high | 74 Ų | 74 | 66 Ų | 66 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.2 | -32.9 | 174.5 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | K402 | K402-S404 PolarHBondContact O-N 3.33Å; K402-S404 VanDerWaalsContact O-N 3.15Å |
| 405 | D | 90 | Very high | 92.7 | Very high | 68 Ų | 68 | 63.7 Ų | 63.7 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -87.7 | -25.5 | -169.3 | -56.8 | -14.7 | 0 | 0 | 0 | 110.5 | K402 N407 N408 M409 | K402-D405 HydrophobicContact CB-CB 4.47Å; K402-D405 PolarHBondContact O-N 3.24Å; D405-N407 VanDerWaalsContact C-N 3.34Å; D405-N407 PolarHBondContact O-N 2.82Å; D405-N408 WeakPolarHBondContact O-CB 3.44Å; D405-N408 PolarHBondContact O-N 2.8Å; D405-M409 WeakPolarHBondContact O-CG 3.34Å; D405-M409 PolarHBondContact O-N 3.22Å |
| 406 | I | 93.3 | Very high | 93 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -54.3 | -46.3 | 179.7 | -68.2 | 172.5 | 0 | 0 | 0 | 111.9 | W372 Y376 L401 K402 M403 N408 M409 E410 | W372-I406 HydrophobicContact CZ2-CG2 3.92Å; Y376-I406 HydrophobicContact CD2-CD1 4.1Å; Y376-I406 HydrophobicContact CE1-CG2 4.23Å; Y376-I406 HydrophobicContact CE2-CD1 3.48Å; Y376-I406 VanDerWaalsContact CE2-CD1 3.48Å; Y376-I406 HydrophobicContact CE2-CG2 4.07Å; L401-I406 HydrophobicContact CD1-CD1 4.43Å; L401-I406 HydrophobicContact CD1-CG1 3.79Å; L401-I406 HydrophobicContact CD2-CD1 4.18Å; L401-I406 HydrophobicContact CD2-CG1 4.41Å; L401-I406 HydrophobicContact CG-CD1 3.99Å; L401-I406 HydrophobicContact CG-CG1 3.89Å; K402-I406 WeakPolarHBondContact O-CG1 3.39Å; K402-I406 PolarHBondContact O-N 2.95Å; M403-I406 HydrophobicContact CE-CD1 4.31Å; M403-I406 HydrophobicContact SD-CD1 3.71Å; I406-N408 VanDerWaalsContact C-N 3.25Å; I406-N408 PolarHBondContact O-N 3.42Å; I406-M409 PolarHBondContact O-N 3.43Å; I406-M409 VanDerWaalsContact O-N 3.14Å; I406-E410 HydrophobicContact CG2-CG 4.16Å; I406-E410 WeakPolarHBondContact O-CG 3.31Å; I406-E410 PolarHBondContact O-N 2.92Å |
| 407 | N | 91.7 | Very high | 93.2 | Very high | 92 Ų | 92 | 56.3 Ų | 56.3 | 49% | 0.492 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 179.8 | -70.6 | -14.6 | 0 | 0 | 0 | 111.8 | D405 N411 | D405-N407 VanDerWaalsContact C-N 3.34Å; D405-N407 PolarHBondContact O-N 2.82Å; N407-N411 WeakPolarHBondContact O-CB 3.33Å; N407-N411 PolarHBondContact O-N 3.45Å; N407-N411 PolarHBondContact O-ND2 3.5Å; N407-N411 VanDerWaalsContact O-ND2 3.09Å |
| 408 | N | 93.5 | Very high | 93.3 | Very high | 105 Ų | 105 | 58 Ų | 58 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -69.6 | -41.5 | 177.7 | -66.4 | -27 | 0 | 0 | 0 | 111 | D405 I406 N411 V412 | D405-N408 WeakPolarHBondContact O-CB 3.44Å; D405-N408 PolarHBondContact O-N 2.8Å; I406-N408 VanDerWaalsContact C-N 3.25Å; I406-N408 PolarHBondContact O-N 3.42Å; N408-N411 PolarHBondContact O-N 3.25Å; N408-V412 WeakPolarHBondContact O-CG2 3.45Å; N408-V412 PolarHBondContact O-N 3.45Å |
| 409 | M | 93.4 | Very high | 93.4 | Very high | 54 Ų | 54 | 60.6 Ų | 60.6 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 177.6 | -61.3 | 175.4 | 81.8 | 0 | 0 | 112 | L401 D405 I406 V412 C413 L432 L435 | L401-M409 HydrophobicContact CD1-SD 3.98Å; D405-M409 WeakPolarHBondContact O-CG 3.34Å; D405-M409 PolarHBondContact O-N 3.22Å; I406-M409 PolarHBondContact O-N 3.43Å; I406-M409 VanDerWaalsContact O-N 3.14Å; M409-V412 WeakPolarHBondContact O-CB 3.48Å; M409-V412 PolarHBondContact O-N 2.81Å; M409-C413 PolarHBondContact O-N 3.04Å; M409-C413 VanDerWaalsContact O-N 3.08Å; M409-C413 PolarHBondContact O-SG 3.44Å; M409-L432 HydrophobicContact CB-CD1 4.14Å; M409-L432 HydrophobicContact CB-CD2 3.86Å; M409-L432 HydrophobicContact CB-CG 4.47Å; M409-L432 HydrophobicContact CE-CD2 3.34Å; M409-L432 HydrophobicContact CE-CG 4.15Å; M409-L432 HydrophobicContact CG-CD2 4.37Å; M409-L432 HydrophobicContact SD-CD2 3.65Å; M409-L435 HydrophobicContact CE-CD1 4.39Å |
| 410 | E | 93.6 | Very high | 93.6 | Very high | 36 Ų | 36 | 58 Ų | 58 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 172.2 | -74 | -172.6 | 152.5 | 0 | 0 | 111.1 | W372 I406 V412 C413 E414 | W372-E410 PolarHBondContact NE1-OE1 3.3Å; I406-E410 HydrophobicContact CG2-CG 4.16Å; I406-E410 WeakPolarHBondContact O-CG 3.31Å; I406-E410 PolarHBondContact O-N 2.92Å; E410-V412 VanDerWaalsContact C-N 3.3Å; E410-V412 PolarHBondContact O-N 3.48Å; E410-C413 WeakPolarHBondContact O-CB 3.35Å; E410-C413 PolarHBondContact O-N 2.63Å; E410-C413 VanDerWaalsContact O-N 3.1Å; E410-E414 WeakPolarHBondContact O-CG 3.23Å; E410-E414 PolarHBondContact O-N 2.89Å |
| 411 | N | 95.3 | Very high | 93.8 | Very high | 104 Ų | 104 | 59.2 Ų | 59.2 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.9 | -36 | 176.1 | -72.4 | -27.2 | 0 | 0 | 0 | 112.7 | N407 N408 E414 S415 | N407-N411 WeakPolarHBondContact O-CB 3.33Å; N407-N411 PolarHBondContact O-N 3.45Å; N407-N411 PolarHBondContact O-ND2 3.5Å; N407-N411 VanDerWaalsContact O-ND2 3.09Å; N408-N411 PolarHBondContact O-N 3.25Å; N411-E414 PolarHBondContact O-N 2.98Å; N411-S415 VanDerWaalsContact O-CB 3.32Å; N411-S415 WeakPolarHBondContact O-CB 3.48Å; N411-S415 PolarHBondContact O-N 2.92Å |
| 412 | V | 95.6 | Very high | 94 | Very high | 81 Ų | 81 | 62.4 Ų | 62.4 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 172.6 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | N408 M409 E410 S415 L416 | N408-V412 WeakPolarHBondContact O-CG2 3.45Å; N408-V412 PolarHBondContact O-N 3.45Å; M409-V412 WeakPolarHBondContact O-CB 3.48Å; M409-V412 PolarHBondContact O-N 2.81Å; E410-V412 VanDerWaalsContact C-N 3.3Å; E410-V412 PolarHBondContact O-N 3.48Å; V412-S415 WeakPolarHBondContact O-CB 3.43Å; V412-S415 PolarHBondContact O-N 2.77Å; V412-L416 HydrophobicContact CG1-CD1 4.43Å; V412-L416 WeakPolarHBondContact O-CG 3.35Å; V412-L416 PolarHBondContact O-N 3.45Å |
| 413 | C | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.007 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 177.3 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | M409 E410 S415 L416 I417 Y429 | M409-C413 PolarHBondContact O-N 3.04Å; M409-C413 VanDerWaalsContact O-N 3.08Å; M409-C413 PolarHBondContact O-SG 3.44Å; E410-C413 WeakPolarHBondContact O-CB 3.35Å; E410-C413 PolarHBondContact O-N 2.63Å; E410-C413 VanDerWaalsContact O-N 3.1Å; C413-S415 VanDerWaalsContact C-N 3.3Å; C413-S415 PolarHBondContact O-N 3.17Å; C413-L416 WeakPolarHBondContact O-CB 3.29Å; C413-L416 PolarHBondContact O-N 2.85Å; C413-I417 WeakPolarHBondContact O-CG1 3.42Å; C413-I417 PolarHBondContact O-N 3.44Å; C413-Y429 HydrophobicContact CB-CD1 4.42Å; C413-Y429 HydrophobicContact CB-CD2 4.03Å; C413-Y429 HydrophobicContact CB-CE1 3.9Å; C413-Y429 HydrophobicContact CB-CE2 3.47Å; C413-Y429 VanDerWaalsContact CB-CE2 3.47Å; C413-Y429 HydrophobicContact CB-CG 4.47Å |
| 414 | E | 95.8 | Very high | 94.5 | Very high | 58 Ų | 58 | 65.6 Ų | 65.6 | 27% | 0.271 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.2 | -34.3 | 178.4 | -64.6 | -60.8 | 118.4 | 0 | 0 | 112.5 | R369 E410 N411 I417 S418 Y429 | R369-E414 WeakPolarHBondContact CD-OE1 3.5Å; R369-E414 IonicContact CZ-OE1 3.13Å; R369-E414 IonicContact CZ-OE2 3.14Å; R369-E414 IonicContact NE-OE1 2.95Å; R369-E414 PolarHBondContact NE-OE1 3.37Å; R369-E414 VanDerWaalsContact NH1-CD 3.26Å; R369-E414 IonicContact NH1-OE1 3.37Å; R369-E414 PolarHBondContact NH1-OE1 2.82Å; R369-E414 IonicContact NH1-OE2 3.53Å; R369-E414 PolarHBondContact NH1-OE2 3.48Å; R369-E414 IonicContact NH2-OE1 3.12Å; R369-E414 IonicContact NH2-OE2 3.29Å; E410-E414 WeakPolarHBondContact O-CG 3.23Å; E410-E414 PolarHBondContact O-N 2.89Å; N411-E414 PolarHBondContact O-N 2.98Å; E414-I417 PolarHBondContact O-N 3.31Å; E414-S418 PolarHBondContact O-N 2.97Å; E414-Y429 PolarHBondContact OE1-OH 3.14Å |
| 415 | S | 97.1 | Very high | 94.9 | Very high | 65 Ų | 65 | 62.1 Ų | 62.1 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 172.7 | -177.5 | 0 | 0 | 0 | 0 | 112 | N411 V412 C413 I417 S418 S419 | N411-S415 VanDerWaalsContact O-CB 3.32Å; N411-S415 WeakPolarHBondContact O-CB 3.48Å; N411-S415 PolarHBondContact O-N 2.92Å; V412-S415 WeakPolarHBondContact O-CB 3.43Å; V412-S415 PolarHBondContact O-N 2.77Å; C413-S415 VanDerWaalsContact C-N 3.3Å; C413-S415 PolarHBondContact O-N 3.17Å; S415-I417 VanDerWaalsContact C-N 3.33Å; S415-I417 PolarHBondContact O-N 2.81Å; S415-S418 PolarHBondContact O-N 3.31Å; S415-S418 PolarHBondContact O-OG 2.91Å; S415-S419 WeakPolarHBondContact O-CB 3.5Å; S415-S419 PolarHBondContact O-N 3.46Å; S415-S419 PolarHBondContact O-OG 3.42Å |
| 416 | L | 96.5 | Very high | 95.2 | Very high | 26 Ų | 26 | 59.2 Ų | 59.2 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 174.9 | -69.2 | 170.4 | 0 | 0 | 0 | 111.6 | V412 C413 S419 G420 K421 E424 A425 E428 | V412-L416 HydrophobicContact CG1-CD1 4.43Å; V412-L416 WeakPolarHBondContact O-CG 3.35Å; V412-L416 PolarHBondContact O-N 3.45Å; C413-L416 WeakPolarHBondContact O-CB 3.29Å; C413-L416 PolarHBondContact O-N 2.85Å; L416-S419 PolarHBondContact O-N 3.41Å; L416-G420 PolarHBondContact O-N 2.84Å; L416-K421 HydrophobicContact CB-CB 4.43Å; L416-K421 HydrophobicContact CD2-CB 4.22Å; L416-K421 HydrophobicContact CD2-CD 3.88Å; L416-K421 PolarHBondContact O-N 3.33Å; L416-E424 HydrophobicContact CD1-CB 4.17Å; L416-E424 HydrophobicContact CD2-CB 4.26Å; L416-A425 HydrophobicContact CB-CB 3.93Å; L416-E428 HydrophobicContact CD1-CG 4.02Å |
| 417 | I | 94.5 | Very high | 95.3 | Very high | 24 Ų | 24 | 64.2 Ų | 64.2 | 12% | 0.123 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 174.9 | -62.1 | 177.3 | 0 | 0 | 0 | 110.6 | V365 C413 E414 S415 S419 G420 Y422 A425 Y429 | V365-I417 HydrophobicContact CG1-CD1 3.32Å; V365-I417 HydrophobicContact CG1-CG1 3.6Å; C413-I417 WeakPolarHBondContact O-CG1 3.42Å; C413-I417 PolarHBondContact O-N 3.44Å; E414-I417 PolarHBondContact O-N 3.31Å; S415-I417 VanDerWaalsContact C-N 3.33Å; S415-I417 PolarHBondContact O-N 2.81Å; I417-S419 PolarHBondContact O-N 2.88Å; I417-G420 PolarHBondContact O-N 2.95Å; I417-Y422 HydrophobicContact CG2-CE1 4.2Å; I417-A425 HydrophobicContact CG1-CB 3.9Å; I417-Y429 HydrophobicContact CD1-CE2 4.08Å |
| 418 | S | 95.6 | Very high | 95.5 | Very high | 98 Ų | 98 | 63.7 Ų | 63.7 | 69% | 0.685 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.8 | -29.7 | -179.9 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | E414 S415 G420 | E414-S418 PolarHBondContact O-N 2.97Å; S415-S418 PolarHBondContact O-N 3.31Å; S415-S418 PolarHBondContact O-OG 2.91Å; S418-G420 VanDerWaalsContact C-N 3.26Å; S418-G420 PolarHBondContact O-N 3.33Å |
| 419 | S | 96.1 | Very high | 95.7 | Very high | 78 Ų | 78 | 58.9 Ų | 58.9 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -1.1 | 174.8 | -56.5 | 0 | 0 | 0 | 0 | 113.7 | S415 L416 I417 K421 | S415-S419 WeakPolarHBondContact O-CB 3.5Å; S415-S419 PolarHBondContact O-N 3.46Å; S415-S419 PolarHBondContact O-OG 3.42Å; L416-S419 PolarHBondContact O-N 3.41Å; I417-S419 PolarHBondContact O-N 2.88Å; S419-K421 VanDerWaalsContact C-N 3.27Å; S419-K421 PolarHBondContact O-N 3.2Å |
| 420 | G | 94.7 | Very high | 95.9 | Very high | 40 Ų | 40 | 59 Ų | 59 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 8.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L416 I417 S418 Y422 | L416-G420 PolarHBondContact O-N 2.84Å; I417-G420 PolarHBondContact O-N 2.95Å; S418-G420 VanDerWaalsContact C-N 3.26Å; S418-G420 PolarHBondContact O-N 3.33Å; G420-Y422 VanDerWaalsContact C-N 3.3Å; G420-Y422 PolarHBondContact O-N 3.42Å |
| 421 | K | 96.1 | Very high | 96 | Very high | 97 Ų | 97 | 62 Ų | 62 | 42% | 0.422 | 33% | 0.332 | S | S | . | . | trans | -86.7 | 64.3 | -178 | -64.9 | -176.1 | 159.7 | -145.5 | 0 | 112 | L416 S419 H423 E424 A425 | L416-K421 HydrophobicContact CB-CB 4.43Å; L416-K421 HydrophobicContact CD2-CB 4.22Å; L416-K421 HydrophobicContact CD2-CD 3.88Å; L416-K421 PolarHBondContact O-N 3.33Å; S419-K421 VanDerWaalsContact C-N 3.27Å; S419-K421 PolarHBondContact O-N 3.2Å; K421-H423 PolarHBondContact O-N 3Å; K421-E424 HydrophobicContact CB-CB 4.42Å; K421-E424 WeakPolarHBondContact CD-OE2 3.05Å; K421-E424 IonicContact NZ-OE1 2.75Å; K421-E424 PolarHBondContact NZ-OE1 2.84Å; K421-E424 VanDerWaalsContact NZ-OE1 3.11Å; K421-E424 IonicContact NZ-OE2 2.77Å; K421-E424 PolarHBondContact NZ-OE2 3.44Å; K421-E424 VanDerWaalsContact NZ-OE2 3.13Å; K421-E424 PolarHBondContact O-N 3.33Å; K421-A425 PolarHBondContact O-N 2.74Å; K421-A425 VanDerWaalsContact O-N 3.13Å | ||
| 422 | Y | 96 | Very high | 96 | Very high | 74 Ų | 74 | 57.1 Ų | 57.1 | 29% | 0.29 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | -171.5 | -59.4 | -46.7 | 0 | 0 | 0 | 114.4 | E361 Y362 V365 I417 G420 A425 I426 | E361-Y422 HydrophobicContact CB-CD2 3.94Å; E361-Y422 HydrophobicContact CB-CG 4.34Å; Y362-Y422 AromaticContact CD2-CE1 3.81Å; Y362-Y422 HydrophobicContact CD2-CE1 3.81Å; V365-Y422 HydrophobicContact CG2-CD1 3.82Å; V365-Y422 HydrophobicContact CG2-CG 4.03Å; V365-Y422 WeakPolarHBondContact CG2-O 3.46Å; I417-Y422 HydrophobicContact CG2-CE1 4.2Å; G420-Y422 VanDerWaalsContact C-N 3.3Å; G420-Y422 PolarHBondContact O-N 3.42Å; Y422-A425 PolarHBondContact O-N 2.72Å; Y422-I426 WeakPolarHBondContact O-CG1 3.49Å; Y422-I426 PolarHBondContact O-N 3.17Å |
| 423 | H | 94.9 | Very high | 96 | Very high | 118 Ų | 118 | 53.3 Ų | 53.3 | 55% | 0.546 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | -179.4 | -172 | 70.9 | 0 | 0 | 0 | 112.4 | K421 A425 I426 Q427 | K421-H423 PolarHBondContact O-N 3Å; H423-A425 VanDerWaalsContact C-N 3.33Å; H423-A425 PolarHBondContact O-N 2.96Å; H423-I426 PolarHBondContact O-N 2.86Å; H423-Q427 PolarHBondContact NE2-NE2 2.95Å; H423-Q427 WeakPolarHBondContact O-CG 3.25Å; H423-Q427 PolarHBondContact O-N 3.11Å; H423-Q427 VanDerWaalsContact O-N 3.13Å |
| 424 | E | 96.6 | Very high | 96.1 | Very high | 85 Ų | 85 | 55.6 Ų | 55.6 | 40% | 0.397 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 175.2 | -65.3 | 173.8 | -141.1 | 0 | 0 | 110.2 | L416 K421 I426 Q427 E428 | L416-E424 HydrophobicContact CD1-CB 4.17Å; L416-E424 HydrophobicContact CD2-CB 4.26Å; K421-E424 HydrophobicContact CB-CB 4.42Å; K421-E424 WeakPolarHBondContact CD-OE2 3.05Å; K421-E424 IonicContact NZ-OE1 2.75Å; K421-E424 PolarHBondContact NZ-OE1 2.84Å; K421-E424 VanDerWaalsContact NZ-OE1 3.11Å; K421-E424 IonicContact NZ-OE2 2.77Å; K421-E424 PolarHBondContact NZ-OE2 3.44Å; K421-E424 VanDerWaalsContact NZ-OE2 3.13Å; K421-E424 PolarHBondContact O-N 3.33Å; E424-I426 PolarHBondContact O-N 3.44Å; E424-Q427 PolarHBondContact O-N 3.47Å; E424-E428 WeakPolarHBondContact O-CG 3.37Å; E424-E428 PolarHBondContact O-N 3.29Å |
| 425 | A | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L416 I417 K421 Y422 H423 Y429 | L416-A425 HydrophobicContact CB-CB 3.93Å; I417-A425 HydrophobicContact CG1-CB 3.9Å; K421-A425 PolarHBondContact O-N 2.74Å; K421-A425 VanDerWaalsContact O-N 3.13Å; Y422-A425 PolarHBondContact O-N 2.72Å; H423-A425 VanDerWaalsContact C-N 3.33Å; H423-A425 PolarHBondContact O-N 2.96Å; A425-Y429 WeakPolarHBondContact O-CB 3.47Å; A425-Y429 WeakPolarHBondContact O-CD2 3.22Å; A425-Y429 PolarHBondContact O-N 2.92Å |
| 426 | I | 97 | Very high | 96 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 175.6 | -70.8 | 165.4 | 0 | 0 | 0 | 110.5 | V354 K364 V365 T368 Y422 H423 E424 Y429 K430 | V354-I426 HydrophobicContact CG2-CG2 4.13Å; K364-I426 HydrophobicContact CB-CD1 3.77Å; V365-I426 HydrophobicContact CB-CG1 4.43Å; V365-I426 HydrophobicContact CG2-CD1 3.96Å; V365-I426 HydrophobicContact CG2-CG1 3.68Å; T368-I426 HydrophobicContact CG2-CG2 4.34Å; Y422-I426 WeakPolarHBondContact O-CG1 3.49Å; Y422-I426 PolarHBondContact O-N 3.17Å; H423-I426 PolarHBondContact O-N 2.86Å; E424-I426 PolarHBondContact O-N 3.44Å; I426-Y429 PolarHBondContact O-N 3.34Å; I426-K430 HydrophobicContact CG2-CD 4.28Å; I426-K430 HydrophobicContact CG2-CG 4.42Å; I426-K430 WeakPolarHBondContact O-CB 3.47Å; I426-K430 WeakPolarHBondContact O-CG 3.39Å; I426-K430 PolarHBondContact O-N 3.45Å |
| 427 | Q | 96.2 | Very high | 96 | Very high | 105 Ų | 105 | 51.3 Ų | 51.3 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 179.8 | -69.9 | -177 | -6.3 | 0 | 0 | 111.5 | H423 E424 K430 H431 | H423-Q427 PolarHBondContact NE2-NE2 2.95Å; H423-Q427 WeakPolarHBondContact O-CG 3.25Å; H423-Q427 PolarHBondContact O-N 3.11Å; H423-Q427 VanDerWaalsContact O-N 3.13Å; E424-Q427 PolarHBondContact O-N 3.47Å; Q427-K430 PolarHBondContact O-N 3.46Å; Q427-H431 WeakPolarHBondContact O-CB 3.42Å; Q427-H431 PolarHBondContact O-N 3.18Å |
| 428 | E | 95.9 | Very high | 96.1 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 38% | 0.379 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 177 | -71.1 | -59.4 | 146.8 | 0 | 0 | 112.2 | L416 E424 K430 H431 L432 | L416-E428 HydrophobicContact CD1-CG 4.02Å; E424-E428 WeakPolarHBondContact O-CG 3.37Å; E424-E428 PolarHBondContact O-N 3.29Å; E428-K430 PolarHBondContact O-N 3.25Å; E428-H431 WeakPolarHBondContact O-CB 3.48Å; E428-H431 PolarHBondContact O-N 3.44Å; E428-L432 PolarHBondContact O-N 2.87Å |
| 429 | Y | 97.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 175.2 | -86.2 | -57.1 | 0 | 0 | 0 | 113.2 | R369 W372 C413 E414 I417 A425 I426 H431 L432 T433 | R369-Y429 HydrophobicContact CB-CD2 4.27Å; R369-Y429 HydrophobicContact CB-CE1 4.48Å; R369-Y429 HydrophobicContact CB-CE2 3.9Å; R369-Y429 HydrophobicContact CG-CE1 4.19Å; R369-Y429 HydrophobicContact CG-CE2 4.1Å; W372-Y429 HydrophobicContact CB-CD1 3.93Å; W372-Y429 AromaticContact CD1-CD1 3.74Å; W372-Y429 AromaticContact CD1-CE1 3.54Å; W372-Y429 AromaticContact CG-CD1 3.77Å; W372-Y429 HydrophobicContact CG-CD1 3.77Å; W372-Y429 HydrophobicContact CG-CE1 4.05Å; C413-Y429 HydrophobicContact CB-CD1 4.42Å; C413-Y429 HydrophobicContact CB-CD2 4.03Å; C413-Y429 HydrophobicContact CB-CE1 3.9Å; C413-Y429 HydrophobicContact CB-CE2 3.47Å; C413-Y429 VanDerWaalsContact CB-CE2 3.47Å; C413-Y429 HydrophobicContact CB-CG 4.47Å; E414-Y429 PolarHBondContact OE1-OH 3.14Å; I417-Y429 HydrophobicContact CD1-CE2 4.08Å; A425-Y429 WeakPolarHBondContact O-CB 3.47Å; A425-Y429 WeakPolarHBondContact O-CD2 3.22Å; A425-Y429 PolarHBondContact O-N 2.92Å; I426-Y429 PolarHBondContact O-N 3.34Å; Y429-H431 VanDerWaalsContact C-N 3.31Å; Y429-L432 HydrophobicContact CD1-CD1 4.21Å; Y429-L432 PolarHBondContact O-N 3.45Å; Y429-T433 WeakPolarHBondContact O-CB 3.38Å; Y429-T433 PolarHBondContact O-N 3.44Å; Y429-T433 PolarHBondContact O-OG1 2.91Å |
| 430 | K | 96.6 | Very high | 96.1 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 24% | 0.243 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 173.2 | -78.4 | -171.5 | 174 | -169.1 | 0 | 110.8 | E355 T368 I426 Q427 E428 T433 S434 | E355-K430 IonicContact OE2-NZ 3.53Å; E355-K430 PolarHBondContact OE2-NZ 2.83Å; E355-K430 VanDerWaalsContact OE2-NZ 3.13Å; T368-K430 HydrophobicContact CG2-CG 4.01Å; I426-K430 HydrophobicContact CG2-CD 4.28Å; I426-K430 HydrophobicContact CG2-CG 4.42Å; I426-K430 WeakPolarHBondContact O-CB 3.47Å; I426-K430 WeakPolarHBondContact O-CG 3.39Å; I426-K430 PolarHBondContact O-N 3.45Å; Q427-K430 PolarHBondContact O-N 3.46Å; E428-K430 PolarHBondContact O-N 3.25Å; K430-T433 PolarHBondContact O-N 3.3Å; K430-S434 PolarHBondContact O-N 3.46Å |
| 431 | H | 95.6 | Very high | 96 | Very high | 100 Ų | 100 | 48 Ų | 48 | 46% | 0.463 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.4 | -49.4 | 175.6 | -178.3 | 58.5 | 0 | 0 | 0 | 111.8 | Q427 E428 Y429 T433 S434 L435 | Q427-H431 WeakPolarHBondContact O-CB 3.42Å; Q427-H431 PolarHBondContact O-N 3.18Å; E428-H431 WeakPolarHBondContact O-CB 3.48Å; E428-H431 PolarHBondContact O-N 3.44Å; Y429-H431 VanDerWaalsContact C-N 3.31Å; H431-T433 VanDerWaalsContact C-N 3.31Å; H431-T433 PolarHBondContact O-N 2.98Å; H431-S434 WeakPolarHBondContact O-CB 3.23Å; H431-S434 PolarHBondContact O-N 2.98Å; H431-L435 PolarHBondContact O-N 3.14Å |
| 432 | L | 95.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.4 | -47.7 | 173.5 | -84.1 | 174.6 | 0 | 0 | 0 | 111.8 | W372 L401 M409 E428 Y429 S434 L435 A436 | W372-L432 HydrophobicContact CD2-CB 4.2Å; W372-L432 HydrophobicContact CE3-CB 3.77Å; W372-L432 HydrophobicContact CH2-CB 4.05Å; W372-L432 HydrophobicContact CH2-CD2 4.15Å; W372-L432 HydrophobicContact CZ2-CB 4.47Å; W372-L432 HydrophobicContact CZ2-CD1 4.49Å; W372-L432 HydrophobicContact CZ2-CD2 4.49Å; W372-L432 HydrophobicContact CZ3-CB 3.68Å; W372-L432 WeakPolarHBondContact CZ3-O 3.43Å; L401-L432 HydrophobicContact CD1-CD2 3.95Å; M409-L432 HydrophobicContact CB-CD1 4.14Å; M409-L432 HydrophobicContact CB-CD2 3.86Å; M409-L432 HydrophobicContact CB-CG 4.47Å; M409-L432 HydrophobicContact CE-CD2 3.34Å; M409-L432 HydrophobicContact CE-CG 4.15Å; M409-L432 HydrophobicContact CG-CD2 4.37Å; M409-L432 HydrophobicContact SD-CD2 3.65Å; E428-L432 PolarHBondContact O-N 2.87Å; Y429-L432 HydrophobicContact CD1-CD1 4.21Å; Y429-L432 PolarHBondContact O-N 3.45Å; L432-S434 VanDerWaalsContact C-N 3.33Å; L432-S434 PolarHBondContact O-N 3.21Å; L432-L435 WeakPolarHBondContact O-CB 3.41Å; L432-L435 PolarHBondContact O-N 3.31Å; L432-L435 VanDerWaalsContact O-N 3.11Å; L432-A436 PolarHBondContact O-N 2.88Å |
| 433 | T | 96.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 179.2 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | Q351 I375 Y429 K430 H431 L435 A436 L437 | Q351-T433 HydrophobicContact CG-CG2 4.16Å; I375-T433 HydrophobicContact CD1-CG2 3.38Å; Y429-T433 WeakPolarHBondContact O-CB 3.38Å; Y429-T433 PolarHBondContact O-N 3.44Å; Y429-T433 PolarHBondContact O-OG1 2.91Å; K430-T433 PolarHBondContact O-N 3.3Å; H431-T433 VanDerWaalsContact C-N 3.31Å; H431-T433 PolarHBondContact O-N 2.98Å; T433-L435 VanDerWaalsContact C-N 3.34Å; T433-L435 PolarHBondContact O-N 3.26Å; T433-A436 PolarHBondContact O-N 3.23Å; T433-L437 HydrophobicContact CG2-CD1 4.38Å; T433-L437 WeakPolarHBondContact O-CG 3.48Å; T433-L437 PolarHBondContact O-N 3.42Å |
| 434 | S | 96.1 | Very high | 95.8 | Very high | 49 Ų | 49 | 39.5 Ų | 39.5 | 34% | 0.343 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.5 | -43.1 | 174.5 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | K430 H431 L432 A436 L437 N438 | K430-S434 PolarHBondContact O-N 3.46Å; H431-S434 WeakPolarHBondContact O-CB 3.23Å; H431-S434 PolarHBondContact O-N 2.98Å; L432-S434 VanDerWaalsContact C-N 3.33Å; L432-S434 PolarHBondContact O-N 3.21Å; S434-A436 PolarHBondContact O-N 3.26Å; S434-L437 PolarHBondContact O-N 3.05Å; S434-N438 PolarHBondContact O-N 3.2Å; S434-N438 VanDerWaalsContact O-N 3.1Å; S434-N438 PolarHBondContact O-ND2 3.49Å |
| 435 | L | 95.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 38.1 Ų | 38.1 | 13% | 0.126 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 174.5 | -68 | 176.9 | 0 | 0 | 0 | 112.4 | F398 L401 M409 H431 L432 T433 N438 G439 | F398-L435 WeakPolarHBondContact CE1-O 3.47Å; L401-L435 HydrophobicContact CB-CB 4.29Å; L401-L435 HydrophobicContact CD1-CB 4.41Å; L401-L435 HydrophobicContact CD1-CD1 4.34Å; L401-L435 HydrophobicContact CD2-CB 4.18Å; M409-L435 HydrophobicContact CE-CD1 4.39Å; H431-L435 PolarHBondContact O-N 3.14Å; L432-L435 WeakPolarHBondContact O-CB 3.41Å; L432-L435 PolarHBondContact O-N 3.31Å; L432-L435 VanDerWaalsContact O-N 3.11Å; T433-L435 VanDerWaalsContact C-N 3.34Å; T433-L435 PolarHBondContact O-N 3.26Å; L435-N438 PolarHBondContact O-N 3.42Å; L435-G439 PolarHBondContact O-N 2.92Å |
| 436 | A | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.2 | -35.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | W372 I375 L379 L401 L432 T433 S434 G439 L440 | W372-A436 HydrophobicContact CE3-CB 4.38Å; W372-A436 HydrophobicContact CH2-CB 4.2Å; W372-A436 HydrophobicContact CZ3-CB 3.51Å; I375-A436 HydrophobicContact CG2-CB 3.86Å; L379-A436 HydrophobicContact CD2-CB 3.9Å; L401-A436 HydrophobicContact CD2-CB 4.03Å; L432-A436 PolarHBondContact O-N 2.88Å; T433-A436 PolarHBondContact O-N 3.23Å; S434-A436 PolarHBondContact O-N 3.26Å; A436-G439 CarbonylContact O-C 3.48Å; A436-G439 PolarHBondContact O-N 2.96Å; A436-L440 WeakPolarHBondContact O-CB 3.39Å; A436-L440 WeakPolarHBondContact O-CG 3.46Å; A436-L440 PolarHBondContact O-N 3.48Å |
| 437 | L | 96.1 | Very high | 95 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 18% | 0.183 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 172.6 | -70.9 | 171.9 | 0 | 0 | 0 | 111.4 | I349 Q351 I375 T433 S434 G439 L440 N441 | I349-L437 HydrophobicContact CB-CD2 3.67Å; I349-L437 HydrophobicContact CG2-CD2 3.95Å; Q351-L437 HydrophobicContact CG-CD1 4.41Å; I375-L437 HydrophobicContact CD1-CD2 4.09Å; I375-L437 HydrophobicContact CD1-CG 4.4Å; I375-L437 HydrophobicContact CG1-CD2 4.46Å; I375-L437 HydrophobicContact CG2-CD2 3.93Å; I375-L437 HydrophobicContact CG2-CG 4.16Å; T433-L437 HydrophobicContact CG2-CD1 4.38Å; T433-L437 WeakPolarHBondContact O-CG 3.48Å; T433-L437 PolarHBondContact O-N 3.42Å; S434-L437 PolarHBondContact O-N 3.05Å; L437-G439 VanDerWaalsContact C-N 3.34Å; L437-L440 HydrophobicContact CD2-CD1 4.36Å; L437-L440 WeakPolarHBondContact O-CB 3.22Å; L437-L440 PolarHBondContact O-N 3.44Å; L437-N441 PolarHBondContact O-N 2.87Å |
| 438 | N | 96 | Very high | 94.8 | Very high | 86 Ų | 86 | 36.6 Ų | 36.6 | 46% | 0.46 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.8 | -40.3 | 172.9 | -70.7 | -31.8 | 0 | 0 | 0 | 111.8 | F398 S434 L435 N441 Y442 | F398-N438 HydrophobicContact CE1-CB 4.31Å; F398-N438 HydrophobicContact CZ-CB 3.86Å; S434-N438 PolarHBondContact O-N 3.2Å; S434-N438 VanDerWaalsContact O-N 3.1Å; S434-N438 PolarHBondContact O-ND2 3.49Å; L435-N438 PolarHBondContact O-N 3.42Å; N438-N441 PolarHBondContact O-N 3.34Å; N438-Y442 WeakPolarHBondContact O-CB 3.33Å; N438-Y442 PolarHBondContact O-N 3.17Å |
| 439 | G | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L435 A436 L437 N441 Y442 Y443 | L435-G439 PolarHBondContact O-N 2.92Å; A436-G439 CarbonylContact O-C 3.48Å; A436-G439 PolarHBondContact O-N 2.96Å; L437-G439 VanDerWaalsContact C-N 3.34Å; G439-N441 VanDerWaalsContact C-N 3.34Å; G439-N441 PolarHBondContact O-N 3.38Å; G439-Y442 WeakPolarHBondContact O-CB 3.37Å; G439-Y442 PolarHBondContact O-N 3.29Å; G439-Y443 WeakPolarHBondContact O-CD2 3.09Å; G439-Y443 PolarHBondContact O-N 2.94Å |
| 440 | L | 94.9 | Very high | 94.2 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.6 | -83.2 | 170.6 | 0 | 0 | 0 | 111.5 | I375 Q378 L379 K382 A436 L437 Y443 H444 | I375-L440 HydrophobicContact CG2-CD1 3.9Å; Q378-L440 HydrophobicContact CB-CD1 3.98Å; Q378-L440 HydrophobicContact CB-CD2 3.8Å; L379-L440 HydrophobicContact CB-CD2 4.25Å; L379-L440 HydrophobicContact CB-CG 4.26Å; L379-L440 HydrophobicContact CD1-CD2 4.35Å; L379-L440 HydrophobicContact CD1-CG 4.17Å; K382-L440 HydrophobicContact CB-CD2 4.48Å; K382-L440 HydrophobicContact CD-CD2 3.86Å; K382-L440 HydrophobicContact CG-CD2 4.1Å; A436-L440 WeakPolarHBondContact O-CB 3.39Å; A436-L440 WeakPolarHBondContact O-CG 3.46Å; A436-L440 PolarHBondContact O-N 3.48Å; L437-L440 HydrophobicContact CD2-CD1 4.36Å; L437-L440 WeakPolarHBondContact O-CB 3.22Å; L437-L440 PolarHBondContact O-N 3.44Å; L440-Y443 PolarHBondContact O-N 3.29Å; L440-H444 VanDerWaalsContact O-CB 3.26Å; L440-H444 WeakPolarHBondContact O-CB 3.42Å; L440-H444 PolarHBondContact O-N 3.44Å |
| 441 | N | 93.1 | Very high | 94 | Very high | 74 Ų | 74 | 41.7 Ų | 41.7 | 40% | 0.396 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.6 | -43.3 | 174.9 | -170 | 27.7 | 0 | 0 | 0 | 111.3 | L437 N438 G439 Y443 H444 K445 | L437-N441 PolarHBondContact O-N 2.87Å; N438-N441 PolarHBondContact O-N 3.34Å; G439-N441 VanDerWaalsContact C-N 3.34Å; G439-N441 PolarHBondContact O-N 3.38Å; N441-Y443 PolarHBondContact O-N 2.89Å; N441-H444 PolarHBondContact O-N 3.22Å; N441-K445 PolarHBondContact O-N 3.44Å; N441-K445 WeakPolarHBondContact OD1-CE 3.31Å |
| 442 | Y | 95.3 | Very high | 93.8 | Very high | 72 Ų | 72 | 37.3 Ų | 37.3 | 28% | 0.282 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -56.9 | -50.2 | 175.4 | 175.8 | -97.7 | 0 | 0 | 0 | 112.1 | R396 F398 N438 G439 H444 K445 Y446 | R396-Y442 PolarHBondContact O-OH 3.38Å; F398-Y442 HydrophobicContact CB-CD1 3.88Å; F398-Y442 HydrophobicContact CB-CE1 4.29Å; F398-Y442 HydrophobicContact CB-CG 4.38Å; F398-Y442 HydrophobicContact CD2-CD1 4.09Å; F398-Y442 HydrophobicContact CD2-CD2 4.09Å; F398-Y442 AromaticContact CD2-CG 3.71Å; F398-Y442 HydrophobicContact CD2-CG 3.71Å; F398-Y442 HydrophobicContact CG-CD1 4.4Å; F398-Y442 HydrophobicContact CG-CG 4.42Å; N438-Y442 WeakPolarHBondContact O-CB 3.33Å; N438-Y442 PolarHBondContact O-N 3.17Å; G439-Y442 WeakPolarHBondContact O-CB 3.37Å; G439-Y442 PolarHBondContact O-N 3.29Å; Y442-H444 VanDerWaalsContact C-N 3.33Å; Y442-H444 PolarHBondContact O-N 2.93Å; Y442-K445 CarbonylContact O-C 3.57Å; Y442-K445 PolarHBondContact O-N 3.19Å; Y442-Y446 HydrophobicContact CD1-CD2 4.2Å; Y442-Y446 AromaticContact CE1-CD2 3.52Å; Y442-Y446 HydrophobicContact CE1-CD2 3.52Å; Y442-Y446 AromaticContact CE1-CE2 3.7Å; Y442-Y446 HydrophobicContact CE1-CE2 3.7Å; Y442-Y446 AromaticContact CZ-CD2 3.75Å; Y442-Y446 AromaticContact CZ-CE2 3.77Å; Y442-Y446 WeakPolarHBondContact O-CA 3.38Å; Y442-Y446 PolarHBondContact O-N 3.38Å; Y442-Y446 WeakPolarHBondContact OH-CE2 3.43Å |
| 443 | Y | 94.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71 | -28.8 | 179.9 | -69.5 | -59.6 | 0 | 0 | 0 | 113.2 | L379 Y383 K386 F395 E397 F398 G439 L440 N441 Y446 | L379-Y443 HydrophobicContact CD1-CD2 3.6Å; L379-Y443 HydrophobicContact CD1-CE2 3.79Å; Y383-Y443 HydrophobicContact CD2-CE1 4.29Å; Y383-Y443 HydrophobicContact CD2-CE2 4.2Å; Y383-Y443 AromaticContact CD2-CZ 3.71Å; Y383-Y443 WeakPolarHBondContact CD2-OH 3.44Å; K386-Y443 HydrophobicContact CB-CD1 4.25Å; K386-Y443 WeakPolarHBondContact CE-O 3.5Å; K386-Y443 HydrophobicContact CG-CD1 4.31Å; F395-Y443 HydrophobicContact CE2-CD1 4.45Å; F395-Y443 AromaticContact CE2-CE1 3.95Å; F395-Y443 HydrophobicContact CE2-CE1 3.95Å; F395-Y443 HydrophobicContact CZ-CD1 4.46Å; F395-Y443 AromaticContact CZ-CE1 3.64Å; F395-Y443 HydrophobicContact CZ-CE1 3.64Å; E397-Y443 WeakPolarHBondContact CA-OH 3.46Å; F398-Y443 HydrophobicContact CB-CE2 4.08Å; F398-Y443 PolarHBondContact N-OH 3.01Å; G439-Y443 WeakPolarHBondContact O-CD2 3.09Å; G439-Y443 PolarHBondContact O-N 2.94Å; L440-Y443 PolarHBondContact O-N 3.29Å; N441-Y443 PolarHBondContact O-N 2.89Å; Y443-Y446 HydrophobicContact CD1-CD2 4.31Å; Y443-Y446 WeakPolarHBondContact O-CB 3.46Å |
| 444 | H | 92.2 | Very high | 93.6 | Very high | 34 Ų | 34 | 44.4 Ų | 44.4 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 172.9 | -176.7 | 57.5 | 0 | 0 | 0 | 111.8 | T27 S28 L440 N441 Y442 | T27-H444 PolarHBondContact O-CE1 2.8Å; T27-H444 VanDerWaalsContact O-CE1 3.31Å; T27-H444 PolarHBondContact OG1-CE1 3.08Å; T27-H444 VanDerWaalsContact OG1-CE1 3.32Å; S28-H444 PolarHBondContact O-CE1 2.97Å; L440-H444 VanDerWaalsContact O-CB 3.26Å; L440-H444 WeakPolarHBondContact O-CB 3.42Å; L440-H444 PolarHBondContact O-N 3.44Å; N441-H444 PolarHBondContact O-N 3.22Å; Y442-H444 VanDerWaalsContact C-N 3.33Å; Y442-H444 PolarHBondContact O-N 2.93Å |
| 445 | K | 92.3 | Very high | 93.5 | Very high | 55 Ų | 55 | 42.2 Ų | 42.2 | 24% | 0.239 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -89.5 | 3.5 | -179.9 | -57.8 | -166.9 | 179.3 | -169.6 | 0 | 113.8 | N441 Y442 D447 R448 D926 E927 | N441-K445 PolarHBondContact O-N 3.44Å; N441-K445 WeakPolarHBondContact OD1-CE 3.31Å; Y442-K445 CarbonylContact O-C 3.57Å; Y442-K445 PolarHBondContact O-N 3.19Å; K445-D447 PolarHBondContact O-N 3.35Å; K445-R448 HydrophobicContact CB-CG 4.41Å; K445-R448 WeakPolarHBondContact O-CB 3.49Å; K445-R448 WeakPolarHBondContact O-CG 3.24Å; K445-R448 PolarHBondContact O-N 3.09Å; K445-R448 VanDerWaalsContact O-N 3.14Å; K445-D926 IonicContact NZ-OD1 2.74Å; K445-D926 IonicContact NZ-OD2 2.87Å; K445-D926 PolarHBondContact NZ-OD2 2.89Å; K445-E927 IonicContact NZ-OE1 3.75Å; K445-E927 PolarHBondContact NZ-OE1 2.78Å |
| 446 | Y | 92.4 | Very high | 93.4 | Very high | 40 Ų | 40 | 42.3 Ų | 42.3 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -47 | -169.4 | -169.1 | -97.4 | 0 | 0 | 0 | 113.6 | H390 F395 R396 Y442 Y443 R448 | H390-Y446 AromaticContact CE1-CD1 3.99Å; H390-Y446 AromaticContact CE1-CE1 3.85Å; H390-Y446 AromaticContact NE2-CE1 3.83Å; F395-Y446 HydrophobicContact CD2-CE1 4.27Å; F395-Y446 AromaticContact CD2-CZ 3.94Å; F395-Y446 HydrophobicContact CE2-CE2 4.43Å; R396-Y446 PolarHBondContact N-OH 2.93Å; R396-Y446 WeakPolarHBondContact O-CE2 3.21Å; Y442-Y446 HydrophobicContact CD1-CD2 4.2Å; Y442-Y446 AromaticContact CE1-CD2 3.52Å; Y442-Y446 HydrophobicContact CE1-CD2 3.52Å; Y442-Y446 AromaticContact CE1-CE2 3.7Å; Y442-Y446 HydrophobicContact CE1-CE2 3.7Å; Y442-Y446 AromaticContact CZ-CD2 3.75Å; Y442-Y446 AromaticContact CZ-CE2 3.77Å; Y442-Y446 WeakPolarHBondContact O-CA 3.38Å; Y442-Y446 PolarHBondContact O-N 3.38Å; Y442-Y446 WeakPolarHBondContact OH-CE2 3.43Å; Y443-Y446 HydrophobicContact CD1-CD2 4.31Å; Y443-Y446 WeakPolarHBondContact O-CB 3.46Å; Y446-R448 VanDerWaalsContact C-N 3.32Å; Y446-R448 PolarHBondContact O-N 2.88Å |
| 447 | D | 90.1 | Very high | 93.3 | Very high | 19 Ų | 19 | 43.5 Ų | 43.5 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -7.7 | -173.1 | -60.9 | -43.7 | 0 | 0 | 0 | 113.4 | K386 H390 K445 L449 Y450 L451 | K386-D447 WeakPolarHBondContact CE-OD2 3.49Å; K386-D447 IonicContact NZ-OD2 2.76Å; K386-D447 PolarHBondContact NZ-OD2 2.96Å; H390-D447 IonicContact CE1-OD1 3.93Å; H390-D447 PolarHBondContact CE1-OD1 2.93Å; H390-D447 IonicContact NE2-OD1 2.55Å; H390-D447 PolarHBondContact NE2-OD1 3.46Å; K445-D447 PolarHBondContact O-N 3.35Å; D447-L449 PolarHBondContact O-N 2.81Å; D447-Y450 PolarHBondContact O-N 2.71Å; D447-L451 HydrophobicContact CB-CD1 3.85Å; D447-L451 HydrophobicContact CB-CG 4.13Å; D447-L451 WeakPolarHBondContact O-CB 3.44Å; D447-L451 WeakPolarHBondContact O-CG 3.11Å; D447-L451 PolarHBondContact O-N 3.34Å |
| 448 | R | 91.5 | Very high | 93.3 | Very high | 23 Ų | 23 | 42 Ų | 42 | 9% | 0.087 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -48.1 | -168.7 | -69.4 | -170.9 | 179.4 | 178.7 | 3.4 | 113.1 | I24 Y25 K445 Y446 G452 D926 | I24-R448 HydrophobicContact CG2-CB 4.22Å; I24-R448 HydrophobicContact CG2-CG 4.03Å; I24-R448 WeakPolarHBondContact O-CG 3.46Å; I24-R448 PolarHBondContact O-NE 3.33Å; Y25-R448 PolarHBondContact O-NH2 3Å; K445-R448 HydrophobicContact CB-CG 4.41Å; K445-R448 WeakPolarHBondContact O-CB 3.49Å; K445-R448 WeakPolarHBondContact O-CG 3.24Å; K445-R448 PolarHBondContact O-N 3.09Å; K445-R448 VanDerWaalsContact O-N 3.14Å; Y446-R448 VanDerWaalsContact C-N 3.32Å; Y446-R448 PolarHBondContact O-N 2.88Å; R448-G452 WeakPolarHBondContact O-CA 3.22Å; R448-G452 PolarHBondContact O-N 3Å; R448-D926 IonicContact CZ-OD2 3.7Å; R448-D926 IonicContact NH1-OD1 3.49Å; R448-D926 PolarHBondContact NH1-OD1 2.84Å; R448-D926 IonicContact NH1-OD2 3.31Å; R448-D926 PolarHBondContact NH1-OD2 2.98Å; R448-D926 IonicContact NH2-OD2 2.67Å; R448-D926 PolarHBondContact NH2-OD2 3.05Å |
| 449 | L | 90.4 | Very high | 93.2 | Very high | 158 Ų | 158 | 37.9 Ų | 37.9 | 83% | 0.827 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -67.6 | -40.6 | 178.9 | -67.7 | 177.6 | 0 | 0 | 0 | 111.5 | D447 F453 | D447-L449 PolarHBondContact O-N 2.81Å; L449-F453 PolarHBondContact O-N 2.95Å |
| 450 | Y | 90.8 | Very high | 93.1 | Very high | 85 Ų | 85 | 44 Ų | 44 | 33% | 0.333 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.2 | -54.6 | -179.9 | 176.1 | -102.6 | 0 | 0 | 0 | 111.2 | D447 G452 F453 F454 W512 Q520 | D447-Y450 PolarHBondContact O-N 2.71Å; Y450-G452 VanDerWaalsContact C-N 3.34Å; Y450-G452 PolarHBondContact O-N 3.34Å; Y450-F453 WeakPolarHBondContact O-CB 3.46Å; Y450-F453 PolarHBondContact O-N 3.31Å; Y450-F454 HydrophobicContact CD1-CD2 4.45Å; Y450-F454 HydrophobicContact CD1-CE2 4.34Å; Y450-F454 HydrophobicContact CD2-CE2 4.06Å; Y450-F454 HydrophobicContact CE1-CD2 4.15Å; Y450-F454 AromaticContact CE1-CE2 3.78Å; Y450-F454 HydrophobicContact CE1-CE2 3.78Å; Y450-F454 HydrophobicContact CE2-CD2 4.42Å; Y450-F454 AromaticContact CE2-CE2 3.49Å; Y450-F454 HydrophobicContact CE2-CE2 3.49Å; Y450-F454 VanDerWaalsContact CE2-CE2 3.49Å; Y450-F454 HydrophobicContact CE2-CZ 4.28Å; Y450-F454 HydrophobicContact CG-CE2 4.46Å; Y450-F454 AromaticContact CZ-CE2 3.31Å; Y450-F454 VanDerWaalsContact O-CD2 3.27Å; Y450-F454 WeakPolarHBondContact O-CD2 3.42Å; Y450-F454 PolarHBondContact O-N 2.84Å; Y450-F454 WeakPolarHBondContact OH-CE2 3.27Å; Y450-W512 HydrophobicContact CD1-CH2 4.39Å; Y450-W512 HydrophobicContact CE1-CH2 4.13Å; Y450-Q520 HydrophobicContact CE1-CG 4.24Å; Y450-Q520 PolarHBondContact OH-OE1 2.67Å; Y450-Q520 VanDerWaalsContact OH-OE1 3.12Å |
| 451 | L | 91.2 | Very high | 93 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.1 | -35.7 | 178.3 | -62.4 | 178.5 | 0 | 0 | 0 | 111.8 | I24 D447 F453 F454 V455 W512 P516 Q520 | I24-L451 HydrophobicContact CD1-CB 3.67Å; I24-L451 HydrophobicContact CG1-CB 3.92Å; I24-L451 HydrophobicContact CG1-CD1 4.02Å; D447-L451 HydrophobicContact CB-CD1 3.85Å; D447-L451 HydrophobicContact CB-CG 4.13Å; D447-L451 WeakPolarHBondContact O-CB 3.44Å; D447-L451 WeakPolarHBondContact O-CG 3.11Å; D447-L451 PolarHBondContact O-N 3.34Å; L451-F453 PolarHBondContact O-N 3.44Å; L451-F454 PolarHBondContact O-N 3.04Å; L451-V455 WeakPolarHBondContact O-CG2 3.42Å; L451-V455 PolarHBondContact O-N 2.89Å; L451-W512 HydrophobicContact CD1-CZ3 4.35Å; L451-W512 HydrophobicContact CD2-CH2 4.29Å; L451-W512 HydrophobicContact CD2-CZ3 4.01Å; L451-P516 HydrophobicContact CD1-CB 3.94Å; L451-P516 HydrophobicContact CD1-CG 4.06Å; L451-P516 HydrophobicContact CD2-CB 3.82Å; L451-Q520 HydrophobicContact CD2-CG 4.38Å |
| 452 | G | 92.7 | Very high | 93 | Very high | 8 Ų | 8 | 42 Ų | 42 | 8% | 0.082 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -35.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R448 Y450 S456 | R448-G452 WeakPolarHBondContact O-CA 3.22Å; R448-G452 PolarHBondContact O-N 3Å; Y450-G452 VanDerWaalsContact C-N 3.34Å; Y450-G452 PolarHBondContact O-N 3.34Å; G452-S456 VanDerWaalsContact O-CB 3.27Å; G452-S456 WeakPolarHBondContact O-CB 3.37Å; G452-S456 PolarHBondContact O-N 2.95Å; G452-S456 PolarHBondContact O-OG 3.38Å |
| 453 | F | 93.5 | Very high | 92.8 | Very high | 133 Ų | 133 | 38.9 Ų | 38.9 | 58% | 0.583 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -63.7 | -43.4 | 171.6 | 172.9 | -96.4 | 0 | 0 | 0 | 112.2 | L449 Y450 L451 S457 | L449-F453 PolarHBondContact O-N 2.95Å; Y450-F453 WeakPolarHBondContact O-CB 3.46Å; Y450-F453 PolarHBondContact O-N 3.31Å; L451-F453 PolarHBondContact O-N 3.44Å; F453-S457 WeakPolarHBondContact O-CB 3.47Å; F453-S457 PolarHBondContact O-N 3.35Å; F453-S457 PolarHBondContact O-OG 3.23Å |
| 454 | F | 94.1 | Very high | 92.7 | Very high | 17 Ų | 17 | 40.3 Ų | 40.3 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67 | -40.5 | 177.6 | -78.2 | -82.1 | 0 | 0 | 0 | 112.8 | Y450 L451 S457 T458 F501 Q520 P523 | Y450-F454 HydrophobicContact CD1-CD2 4.45Å; Y450-F454 HydrophobicContact CD1-CE2 4.34Å; Y450-F454 HydrophobicContact CD2-CE2 4.06Å; Y450-F454 HydrophobicContact CE1-CD2 4.15Å; Y450-F454 AromaticContact CE1-CE2 3.78Å; Y450-F454 HydrophobicContact CE1-CE2 3.78Å; Y450-F454 HydrophobicContact CE2-CD2 4.42Å; Y450-F454 AromaticContact CE2-CE2 3.49Å; Y450-F454 HydrophobicContact CE2-CE2 3.49Å; Y450-F454 VanDerWaalsContact CE2-CE2 3.49Å; Y450-F454 HydrophobicContact CE2-CZ 4.28Å; Y450-F454 HydrophobicContact CG-CE2 4.46Å; Y450-F454 AromaticContact CZ-CE2 3.31Å; Y450-F454 VanDerWaalsContact O-CD2 3.27Å; Y450-F454 WeakPolarHBondContact O-CD2 3.42Å; Y450-F454 PolarHBondContact O-N 2.84Å; Y450-F454 WeakPolarHBondContact OH-CE2 3.27Å; L451-F454 PolarHBondContact O-N 3.04Å; F454-S457 PolarHBondContact O-N 3.24Å; F454-T458 WeakPolarHBondContact O-CB 3.07Å; F454-T458 PolarHBondContact O-N 2.88Å; F454-T458 PolarHBondContact O-OG1 2.7Å; F454-F501 AromaticContact CE1-CE1 3.95Å; F454-F501 HydrophobicContact CE1-CE1 3.95Å; F454-F501 HydrophobicContact CE1-CZ 4.38Å; F454-F501 AromaticContact CZ-CE1 3.92Å; F454-F501 HydrophobicContact CZ-CE1 3.92Å; F454-F501 AromaticContact CZ-CZ 3.87Å; F454-F501 HydrophobicContact CZ-CZ 3.87Å; F454-Q520 HydrophobicContact CD1-CB 4.26Å; F454-Q520 HydrophobicContact CD1-CG 4.23Å; F454-Q520 HydrophobicContact CD2-CG 3.96Å; F454-Q520 HydrophobicContact CE1-CB 4.31Å; F454-Q520 HydrophobicContact CE1-CG 4.31Å; F454-Q520 HydrophobicContact CE2-CG 4.09Å; F454-Q520 HydrophobicContact CG-CG 4.07Å; F454-Q520 HydrophobicContact CZ-CG 4.25Å; F454-P523 HydrophobicContact CB-CG 4.41Å; F454-P523 HydrophobicContact CD1-CG 3.67Å |
| 455 | V | 94.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.024 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.8 | -45.4 | 176.2 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | I24 L451 S457 T458 F459 Y519 F921 | I24-V455 HydrophobicContact CD1-CG2 3.77Å; L451-V455 WeakPolarHBondContact O-CG2 3.42Å; L451-V455 PolarHBondContact O-N 2.89Å; V455-S457 VanDerWaalsContact C-N 3.34Å; V455-S457 PolarHBondContact O-N 2.87Å; V455-T458 WeakPolarHBondContact O-CA 3.31Å; V455-T458 VanDerWaalsContact O-CB 3.25Å; V455-T458 WeakPolarHBondContact O-CB 3.1Å; V455-T458 PolarHBondContact O-N 3.42Å; V455-T458 VanDerWaalsContact O-N 3.07Å; V455-F459 HydrophobicContact CG1-CD2 4.25Å; V455-F459 HydrophobicContact CG1-CE2 3.99Å; V455-F459 WeakPolarHBondContact O-CD2 3.15Å; V455-F459 PolarHBondContact O-N 2.95Å; V455-F459 VanDerWaalsContact O-N 3.08Å; V455-Y519 HydrophobicContact CG2-CG 4.44Å; V455-F921 HydrophobicContact CB-CE1 4.24Å; V455-F921 HydrophobicContact CB-CE2 4.24Å; V455-F921 HydrophobicContact CB-CZ 3.84Å; V455-F921 HydrophobicContact CG1-CD2 4.09Å; V455-F921 HydrophobicContact CG1-CE1 4.26Å; V455-F921 HydrophobicContact CG1-CE2 3.69Å; V455-F921 HydrophobicContact CG1-CZ 3.79Å; V455-F921 HydrophobicContact CG2-CZ 4.24Å |
| 456 | S | 93.7 | Very high | 92.3 | Very high | 26 Ų | 26 | 37.3 Ų | 37.3 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63 | -41.4 | 175.7 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | G452 T458 F459 F460 | G452-S456 VanDerWaalsContact O-CB 3.27Å; G452-S456 WeakPolarHBondContact O-CB 3.37Å; G452-S456 PolarHBondContact O-N 2.95Å; G452-S456 PolarHBondContact O-OG 3.38Å; S456-T458 VanDerWaalsContact C-N 3.25Å; S456-T458 PolarHBondContact O-N 2.85Å; S456-F459 PolarHBondContact O-N 3.24Å; S456-F460 PolarHBondContact O-N 3.47Å |
| 457 | S | 94.2 | Very high | 92 | Very high | 24 Ų | 24 | 37.3 Ų | 37.3 | 17% | 0.168 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.9 | -34.7 | 173.1 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | F453 F454 V455 F460 L461 | F453-S457 WeakPolarHBondContact O-CB 3.47Å; F453-S457 PolarHBondContact O-N 3.35Å; F453-S457 PolarHBondContact O-OG 3.23Å; F454-S457 PolarHBondContact O-N 3.24Å; V455-S457 VanDerWaalsContact C-N 3.34Å; V455-S457 PolarHBondContact O-N 2.87Å; S457-F460 PolarHBondContact O-N 2.88Å; S457-L461 VanDerWaalsContact O-CB 3.23Å; S457-L461 WeakPolarHBondContact O-CB 3.13Å; S457-L461 WeakPolarHBondContact O-CD1 3.22Å; S457-L461 WeakPolarHBondContact O-CG 3.44Å; S457-L461 PolarHBondContact O-N 3.35Å |
| 458 | T | 94.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.5 | -47.1 | 174.2 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | V13 Q17 F454 V455 S456 F460 L461 W462 V522 P523 L526 | V13-T458 HydrophobicContact CG1-CG2 4.17Å; Q17-T458 HydrophobicContact CG-CG2 4.31Å; F454-T458 WeakPolarHBondContact O-CB 3.07Å; F454-T458 PolarHBondContact O-N 2.88Å; F454-T458 PolarHBondContact O-OG1 2.7Å; V455-T458 WeakPolarHBondContact O-CA 3.31Å; V455-T458 VanDerWaalsContact O-CB 3.25Å; V455-T458 WeakPolarHBondContact O-CB 3.1Å; V455-T458 PolarHBondContact O-N 3.42Å; V455-T458 VanDerWaalsContact O-N 3.07Å; S456-T458 VanDerWaalsContact C-N 3.25Å; S456-T458 PolarHBondContact O-N 2.85Å; T458-F460 VanDerWaalsContact C-N 3.32Å; T458-F460 PolarHBondContact O-N 3.09Å; T458-L461 PolarHBondContact O-N 3.44Å; T458-W462 WeakPolarHBondContact O-CB 3.49Å; T458-W462 PolarHBondContact O-N 3.46Å; T458-V522 HydrophobicContact CG2-CB 4.42Å; T458-V522 HydrophobicContact CG2-CG1 3.56Å; T458-P523 WeakPolarHBondContact OG1-CD 3.46Å; T458-L526 HydrophobicContact CG2-CD1 4.11Å |
| 459 | F | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.6 | -43.8 | 174.4 | -80.1 | -74.1 | 0 | 0 | 0 | 112.3 | Q17 V455 S456 S463 N914 A917 I918 Y940 M944 | Q17-F459 HydrophobicContact CB-CE1 4.45Å; Q17-F459 HydrophobicContact CB-CE2 4.22Å; Q17-F459 HydrophobicContact CB-CZ 3.83Å; Q17-F459 VanDerWaalsContact CD-CE1 3.44Å; Q17-F459 HydrophobicContact CG-CE1 4.29Å; Q17-F459 HydrophobicContact CG-CE2 4.03Å; Q17-F459 HydrophobicContact CG-CZ 3.9Å; Q17-F459 VanDerWaalsContact NE2-CE1 3.31Å; V455-F459 HydrophobicContact CG1-CD2 4.25Å; V455-F459 HydrophobicContact CG1-CE2 3.99Å; V455-F459 WeakPolarHBondContact O-CD2 3.15Å; V455-F459 PolarHBondContact O-N 2.95Å; V455-F459 VanDerWaalsContact O-N 3.08Å; S456-F459 PolarHBondContact O-N 3.24Å; F459-S463 WeakPolarHBondContact O-CB 3.34Å; F459-S463 PolarHBondContact O-N 3.23Å; F459-S463 PolarHBondContact O-OG 3Å; F459-N914 HydrophobicContact CD1-CB 3.89Å; F459-A917 HydrophobicContact CD1-CB 4.27Å; F459-A917 HydrophobicContact CE1-CB 3.67Å; F459-A917 HydrophobicContact CZ-CB 3.9Å; F459-I918 HydrophobicContact CB-CD1 3.58Å; F459-I918 HydrophobicContact CB-CG1 3.45Å; F459-I918 VanDerWaalsContact CB-CG1 3.45Å; F459-I918 HydrophobicContact CD2-CG1 3.98Å; F459-I918 HydrophobicContact CG-CD1 4.45Å; F459-I918 HydrophobicContact CG-CG1 3.81Å; F459-Y940 HydrophobicContact CE2-CE2 4.26Å; F459-Y940 HydrophobicContact CZ-CE2 4.02Å; F459-Y940 WeakPolarHBondContact CZ-OH 3.4Å; F459-M944 HydrophobicContact CZ-CG 4.39Å; F459-M944 HydrophobicContact CZ-SD 4.35Å |
| 460 | F | 94.4 | Very high | 90.5 | Very high | 128 Ų | 128 | 33.7 Ų | 33.7 | 56% | 0.561 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -64.9 | -52.4 | 178.8 | 177.4 | -99.5 | 0 | 0 | 0 | 112.3 | S456 S457 T458 W462 S463 L464 | S456-F460 PolarHBondContact O-N 3.47Å; S457-F460 PolarHBondContact O-N 2.88Å; T458-F460 VanDerWaalsContact C-N 3.32Å; T458-F460 PolarHBondContact O-N 3.09Å; F460-W462 VanDerWaalsContact C-N 3.33Å; F460-W462 PolarHBondContact O-N 3.19Å; F460-S463 WeakPolarHBondContact O-CB 3.32Å; F460-S463 PolarHBondContact O-N 3.04Å; F460-L464 PolarHBondContact O-N 3.49Å |
| 461 | L | 93.9 | Very high | 89.4 | Confident | 25 Ų | 25 | 30.7 Ų | 30.7 | 13% | 0.131 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.7 | -35.8 | -179 | -71 | 166.6 | 0 | 0 | 0 | 111.9 | S457 T458 S463 L464 V465 P523 L526 V527 | S457-L461 VanDerWaalsContact O-CB 3.23Å; S457-L461 WeakPolarHBondContact O-CB 3.13Å; S457-L461 WeakPolarHBondContact O-CD1 3.22Å; S457-L461 WeakPolarHBondContact O-CG 3.44Å; S457-L461 PolarHBondContact O-N 3.35Å; T458-L461 PolarHBondContact O-N 3.44Å; L461-S463 VanDerWaalsContact C-N 3.34Å; L461-L464 HydrophobicContact CD2-CD2 4.4Å; L461-L464 WeakPolarHBondContact O-CB 3.39Å; L461-L464 PolarHBondContact O-N 2.87Å; L461-V465 WeakPolarHBondContact O-CG2 3.17Å; L461-V465 PolarHBondContact O-N 3.31Å; L461-P523 HydrophobicContact CD1-CB 3.49Å; L461-P523 VanDerWaalsContact CD1-CB 3.49Å; L461-P523 WeakPolarHBondContact CD1-O 3.45Å; L461-L526 HydrophobicContact CB-CB 4.03Å; L461-L526 HydrophobicContact CB-CD1 4.01Å; L461-V527 HydrophobicContact CD1-CG2 3.76Å; L461-V527 HydrophobicContact CD2-CG2 3.78Å; L461-V527 HydrophobicContact CG-CG2 4.42Å |
| 462 | W | 92.5 | Very high | 87.9 | Confident | 18 Ų | 18 | 34.2 Ų | 34.2 | 7% | 0.068 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 174.3 | -179 | -123.9 | 0 | 0 | 0 | 111.1 | V9 I10 V13 T458 F460 L464 V465 I466 L526 | V9-W462 HydrophobicContact CG1-CH2 4.41Å; V9-W462 HydrophobicContact CG1-CZ3 4.23Å; I10-W462 HydrophobicContact CB-CZ2 4.47Å; I10-W462 HydrophobicContact CG1-CH2 3.92Å; I10-W462 HydrophobicContact CG1-CZ2 3.66Å; V13-W462 HydrophobicContact CG1-CD2 4.28Å; V13-W462 HydrophobicContact CG1-CG 4.12Å; T458-W462 WeakPolarHBondContact O-CB 3.49Å; T458-W462 PolarHBondContact O-N 3.46Å; F460-W462 VanDerWaalsContact C-N 3.33Å; F460-W462 PolarHBondContact O-N 3.19Å; W462-L464 VanDerWaalsContact C-N 3.31Å; W462-L464 PolarHBondContact O-N 3.04Å; W462-V465 HydrophobicContact CE3-CB 4.3Å; W462-V465 HydrophobicContact CE3-CG1 4.34Å; W462-V465 HydrophobicContact CZ3-CB 4.48Å; W462-V465 HydrophobicContact CZ3-CG1 4.02Å; W462-V465 PolarHBondContact O-N 3.19Å; W462-I466 HydrophobicContact CD2-CD1 4.5Å; W462-I466 HydrophobicContact CZ2-CD1 4.17Å; W462-I466 HydrophobicContact CZ2-CG1 4.16Å; W462-I466 WeakPolarHBondContact O-CG1 3.4Å; W462-I466 PolarHBondContact O-N 3.47Å; W462-L526 HydrophobicContact CB-CD1 4Å; W462-L526 HydrophobicContact CE3-CD2 3.74Å; W462-L526 HydrophobicContact CZ3-CD2 4.23Å |
| 463 | S | 92.3 | Very high | 85.9 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 6% | 0.056 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 172.6 | -58.8 | 0 | 0 | 0 | 0 | 112 | F459 F460 L461 I466 L467 N914 | F459-S463 WeakPolarHBondContact O-CB 3.34Å; F459-S463 PolarHBondContact O-N 3.23Å; F459-S463 PolarHBondContact O-OG 3Å; F460-S463 WeakPolarHBondContact O-CB 3.32Å; F460-S463 PolarHBondContact O-N 3.04Å; L461-S463 VanDerWaalsContact C-N 3.34Å; S463-I466 PolarHBondContact O-N 3.04Å; S463-L467 WeakPolarHBondContact O-CG 3.39Å; S463-L467 PolarHBondContact O-N 2.9Å; S463-N914 WeakPolarHBondContact OG-CB 3.3Å; S463-N914 PolarHBondContact OG-ND2 3.32Å |
| 464 | L | 91.2 | Very high | 83.8 | Confident | 34 Ų | 34 | 34.7 Ų | 34.7 | 18% | 0.178 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.6 | -41.4 | 175.4 | -173.6 | 64.6 | 0 | 0 | 0 | 112.2 | F460 L461 W462 L467 C468 L530 L540 L543 | F460-L464 PolarHBondContact O-N 3.49Å; L461-L464 HydrophobicContact CD2-CD2 4.4Å; L461-L464 WeakPolarHBondContact O-CB 3.39Å; L461-L464 PolarHBondContact O-N 2.87Å; W462-L464 VanDerWaalsContact C-N 3.31Å; W462-L464 PolarHBondContact O-N 3.04Å; L464-L467 PolarHBondContact O-N 3.25Å; L464-C468 WeakPolarHBondContact O-CB 3.34Å; L464-C468 PolarHBondContact O-N 3.26Å; L464-C468 PolarHBondContact O-SG 2.97Å; L464-L530 HydrophobicContact CB-CD1 4.48Å; L464-L530 HydrophobicContact CD2-CD1 3.69Å; L464-L530 HydrophobicContact CG-CD1 3.97Å; L464-L540 HydrophobicContact CD1-CD1 4.15Å; L464-L540 HydrophobicContact CD2-CD1 4.03Å; L464-L540 HydrophobicContact CG-CD1 4.28Å; L464-L543 HydrophobicContact CD1-CD2 3.45Å; L464-L543 VanDerWaalsContact CD1-CD2 3.45Å |
| 465 | V | 88.9 | Confident | 81.6 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 174 | 170 | 0 | 0 | 0 | 0 | 111.1 | L461 W462 R469 L526 L530 | L461-V465 WeakPolarHBondContact O-CG2 3.17Å; L461-V465 PolarHBondContact O-N 3.31Å; W462-V465 HydrophobicContact CE3-CB 4.3Å; W462-V465 HydrophobicContact CE3-CG1 4.34Å; W462-V465 HydrophobicContact CZ3-CB 4.48Å; W462-V465 HydrophobicContact CZ3-CG1 4.02Å; W462-V465 PolarHBondContact O-N 3.19Å; V465-R469 WeakPolarHBondContact O-CB 3.31Å; V465-R469 VanDerWaalsContact O-CG 3.31Å; V465-R469 WeakPolarHBondContact O-CG 3.42Å; V465-R469 PolarHBondContact O-N 2.97Å; V465-L526 HydrophobicContact CG2-CB 4.49Å; V465-L526 HydrophobicContact CG2-CD2 4.33Å; V465-L530 HydrophobicContact CB-CD2 4.42Å; V465-L530 HydrophobicContact CG2-CD1 3.97Å; V465-L530 HydrophobicContact CG2-CD2 3.77Å; V465-L530 HydrophobicContact CG2-CG 3.71Å |
| 466 | I | 87.3 | Confident | 79.1 | Confident | 24 Ų | 24 | 39.8 Ų | 39.8 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -52.3 | 175.9 | -66.6 | 166.7 | 0 | 0 | 0 | 109.8 | W462 S463 C468 R469 L470 A910 V911 | W462-I466 HydrophobicContact CD2-CD1 4.5Å; W462-I466 HydrophobicContact CZ2-CD1 4.17Å; W462-I466 HydrophobicContact CZ2-CG1 4.16Å; W462-I466 WeakPolarHBondContact O-CG1 3.4Å; W462-I466 PolarHBondContact O-N 3.47Å; S463-I466 PolarHBondContact O-N 3.04Å; I466-C468 PolarHBondContact O-N 3.21Å; I466-R469 PolarHBondContact O-N 2.96Å; I466-L470 HydrophobicContact CG2-CD1 4.18Å; I466-L470 HydrophobicContact CG2-CG 4.47Å; I466-L470 VanDerWaalsContact O-CG 3.32Å; I466-L470 WeakPolarHBondContact O-CG 3.18Å; I466-L470 PolarHBondContact O-N 3.27Å; I466-A910 HydrophobicContact CD1-CB 4.15Å; I466-V911 HydrophobicContact CB-CG2 4.14Å; I466-V911 HydrophobicContact CG2-CG2 4Å |
| 467 | L | 86.1 | Confident | 76.8 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -45.6 | -179.6 | -69.1 | 172.6 | 0 | 0 | 0 | 112.6 | S463 L464 R469 L470 F471 L543 L806 V911 | S463-L467 WeakPolarHBondContact O-CG 3.39Å; S463-L467 PolarHBondContact O-N 2.9Å; L464-L467 PolarHBondContact O-N 3.25Å; L467-R469 VanDerWaalsContact C-N 3.35Å; L467-R469 PolarHBondContact O-N 3.4Å; L467-L470 WeakPolarHBondContact O-CB 3.19Å; L467-L470 PolarHBondContact O-N 2.83Å; L467-F471 WeakPolarHBondContact O-CD2 3.4Å; L467-F471 PolarHBondContact O-N 3.43Å; L467-L543 HydrophobicContact CB-CD1 4.49Å; L467-L543 HydrophobicContact CB-CD2 4.14Å; L467-L806 HydrophobicContact CD2-CD1 4.12Å; L467-L806 HydrophobicContact CD2-CD2 4.23Å; L467-V911 HydrophobicContact CD1-CG1 4.39Å; L467-V911 HydrophobicContact CD2-CG2 4.16Å; L467-V911 HydrophobicContact CG-CG2 3.99Å |
| 468 | C | 84.7 | Confident | 74.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.8 | -43.5 | 177.6 | -71.1 | 0 | 0 | 0 | 0 | 112.1 | L464 I466 L470 F471 N472 L530 Q539 L543 | L464-C468 WeakPolarHBondContact O-CB 3.34Å; L464-C468 PolarHBondContact O-N 3.26Å; L464-C468 PolarHBondContact O-SG 2.97Å; I466-C468 PolarHBondContact O-N 3.21Å; C468-L470 VanDerWaalsContact C-N 3.3Å; C468-L470 PolarHBondContact O-N 3.47Å; C468-F471 PolarHBondContact O-N 3.21Å; C468-N472 PolarHBondContact O-N 3.18Å; C468-L530 HydrophobicContact CB-CD2 3.94Å; C468-Q539 HydrophobicContact CB-CB 4.02Å; C468-L543 VanDerWaalsContact SG-CD2 3.58Å |
| 469 | R | 80 | Confident | 72.2 | Confident | 110 Ų | 110 | 50.5 Ų | 50.5 | 42% | 0.415 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.4 | -30.5 | 178.4 | -72.6 | -175.6 | -173.8 | -163.3 | 10.7 | 112.7 | E6 V465 I466 L467 | E6-R469 IonicContact OE1-NH1 3.35Å; E6-R469 PolarHBondContact OE1-NH1 3.14Å; V465-R469 WeakPolarHBondContact O-CB 3.31Å; V465-R469 VanDerWaalsContact O-CG 3.31Å; V465-R469 WeakPolarHBondContact O-CG 3.42Å; V465-R469 PolarHBondContact O-N 2.97Å; I466-R469 PolarHBondContact O-N 2.96Å; L467-R469 VanDerWaalsContact C-N 3.35Å; L467-R469 PolarHBondContact O-N 3.4Å |
| 470 | L | 76 | Confident | 70.1 | Confident | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.2 | -47.6 | 170.7 | -66.8 | 179.9 | 0 | 0 | 0 | 110.3 | I466 L467 C468 N472 R473 P805 L806 L903 A904 V908 | I466-L470 HydrophobicContact CG2-CD1 4.18Å; I466-L470 HydrophobicContact CG2-CG 4.47Å; I466-L470 VanDerWaalsContact O-CG 3.32Å; I466-L470 WeakPolarHBondContact O-CG 3.18Å; I466-L470 PolarHBondContact O-N 3.27Å; L467-L470 WeakPolarHBondContact O-CB 3.19Å; L467-L470 PolarHBondContact O-N 2.83Å; C468-L470 VanDerWaalsContact C-N 3.3Å; C468-L470 PolarHBondContact O-N 3.47Å; L470-N472 PolarHBondContact O-N 2.97Å; L470-R473 PolarHBondContact O-N 3Å; L470-P805 WeakPolarHBondContact O-CG 3.33Å; L470-L806 HydrophobicContact CB-CD1 3.94Å; L470-L806 HydrophobicContact CB-CG 4.27Å; L470-L806 HydrophobicContact CD1-CD2 4.03Å; L470-L806 HydrophobicContact CD1-CG 4.47Å; L470-L903 HydrophobicContact CD2-CG 4.25Å; L470-A904 HydrophobicContact CD2-CB 4.25Å; L470-V908 HydrophobicContact CD1-CG2 4.33Å |
| 471 | F | 68.8 | Low | 67.9 | Low | 21 Ų | 21 | 54.9 Ų | 54.9 | 9% | 0.092 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -32.7 | 178.6 | -88.9 | -76.2 | 0 | 0 | 0 | 114.8 | L467 C468 R473 S474 L543 Y546 L806 | L467-F471 WeakPolarHBondContact O-CD2 3.4Å; L467-F471 PolarHBondContact O-N 3.43Å; C468-F471 PolarHBondContact O-N 3.21Å; F471-R473 PolarHBondContact O-N 3.4Å; F471-S474 PolarHBondContact O-N 3.29Å; F471-S474 PolarHBondContact O-OG 3.48Å; F471-S474 VanDerWaalsContact O-OG 3.06Å; F471-L543 HydrophobicContact CD2-CB 4.14Å; F471-L543 HydrophobicContact CD2-CD1 3.44Å; F471-L543 VanDerWaalsContact CD2-CD1 3.44Å; F471-L543 HydrophobicContact CD2-CG 4.33Å; F471-L543 HydrophobicContact CE2-CB 4.5Å; F471-L543 HydrophobicContact CE2-CD1 3.11Å; F471-L543 HydrophobicContact CE2-CG 4.36Å; F471-L543 HydrophobicContact CZ-CD1 4.04Å; F471-Y546 AromaticContact CD1-CD2 3.9Å; F471-Y546 HydrophobicContact CD1-CD2 3.9Å; F471-Y546 HydrophobicContact CD1-CE2 4.14Å; F471-Y546 AromaticContact CE1-CD2 3.6Å; F471-Y546 HydrophobicContact CE1-CD2 3.6Å; F471-Y546 HydrophobicContact CE1-CE2 4.07Å; F471-Y546 AromaticContact CE1-CG 3.92Å; F471-Y546 HydrophobicContact CE1-CG 3.92Å; F471-Y546 HydrophobicContact CZ-CD2 4.44Å; F471-Y546 HydrophobicContact CZ-CG 4.47Å; F471-L806 HydrophobicContact CD2-CD1 3.3Å; F471-L806 HydrophobicContact CE1-CD1 4.46Å; F471-L806 HydrophobicContact CE2-CB 4.29Å; F471-L806 HydrophobicContact CE2-CD1 3.06Å; F471-L806 HydrophobicContact CE2-CG 4.26Å; F471-L806 HydrophobicContact CG-CD1 4.1Å; F471-L806 HydrophobicContact CZ-CB 4.09Å; F471-L806 HydrophobicContact CZ-CD1 3.73Å |
| 472 | N | 58.9 | Low | 65.8 | Low | 79 Ų | 79 | 59.2 Ų | 59.2 | 42% | 0.422 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -25.1 | 179.3 | -166 | 41.4 | 0 | 0 | 0 | 114.1 | C468 L470 Q539 | C468-N472 PolarHBondContact O-N 3.18Å; L470-N472 PolarHBondContact O-N 2.97Å; N472-Q539 HydrophobicContact CB-CG 3.58Å; N472-Q539 VanDerWaalsContact CB-NE2 3.29Å; N472-Q539 PolarHBondContact ND2-NE2 3.39Å; N472-Q539 WeakPolarHBondContact OD1-CG 3.48Å; N472-Q539 PolarHBondContact OD1-NE2 3.06Å; N472-Q539 VanDerWaalsContact OD1-NE2 3.1Å |
| 473 | R | 50.2 | Low | 63.9 | Low | 145 Ų | 145 | 63.9 Ų | 63.9 | 55% | 0.547 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -11 | -168.9 | -151.2 | 135.1 | -173.5 | 165.7 | -1.3 | 113.7 | L470 F471 H900 | L470-R473 PolarHBondContact O-N 3Å; F471-R473 PolarHBondContact O-N 3.4Å; R473-H900 PolarHBondContact NE-CE1 3.18Å; R473-H900 PolarHBondContact NE-NE2 3.01Å; R473-H900 PolarHBondContact NH2-CE1 3.38Å |
| 474 | S | 49.4 | Very low | 62 | Low | 6 Ų | 6 | 67.9 Ų | 67.9 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -32.8 | 177.1 | 30.9 | 0 | 0 | 0 | 0 | 115.2 | F471 E803 N804 P805 | F471-S474 PolarHBondContact O-N 3.29Å; F471-S474 PolarHBondContact O-OG 3.48Å; F471-S474 VanDerWaalsContact O-OG 3.06Å; S474-E803 WeakPolarHBondContact CB-O 3.47Å; S474-N804 VanDerWaalsContact CB-OD1 3.26Å; S474-N804 WeakPolarHBondContact CB-OD1 3.18Å; S474-N804 PolarHBondContact OG-OD1 3.36Å; S474-P805 VanDerWaalsContact CB-CD 3.45Å; S474-P805 WeakPolarHBondContact OG-CD 3.24Å |
| 475 | D | 48.8 | Very low | 60 | Low | 31 Ų | 31 | 75.4 Ų | 75.4 | 17% | 0.166 | 38% | 0.377 | C | S | . | . | trans | -116.8 | 100.8 | -161.2 | -69.5 | -23.5 | 0 | 0 | 0 | 114 | V477 Y546 | D475-V477 HydrophobicContact CB-CB 4.17Å; D475-V477 HydrophobicContact CB-CG2 4.03Å; D475-V477 PolarHBondContact O-N 2.94Å; D475-Y546 WeakPolarHBondContact OD2-CE2 3.22Å; D475-Y546 VanDerWaalsContact OD2-CZ 3.28Å; D475-Y546 PolarHBondContact OD2-OH 2.87Å | ||
| 476 | S | 41.1 | Very low | 58.5 | Low | 97 Ų | 97 | 78.5 Ų | 78.5 | 68% | 0.678 | 39% | 0.394 | S | S | * | . | trans | -80.4 | 19 | 146.5 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | E478 | S476-E478 PolarHBondContact O-N 3.47Š| ||
| 477 | V | 45.9 | Very low | 57.2 | Low | 78 Ų | 78 | 83 Ų | 83 | 47% | 0.473 | 42% | 0.418 | S | S | . | . | trans | -59.8 | 115.6 | 171.7 | -177.8 | 0 | 0 | 0 | 0 | 106.9 | D475 C479 K538 | D475-V477 HydrophobicContact CB-CB 4.17Å; D475-V477 HydrophobicContact CB-CG2 4.03Å; D475-V477 PolarHBondContact O-N 2.94Å; V477-C479 PolarHBondContact O-N 3.37Å; V477-K538 PolarHBondContact O-NZ 2.87Å | ||
| 478 | E | 43.9 | Very low | 56.6 | Low | 156 Ų | 156 | 84.8 Ų | 84.8 | 73% | 0.729 | 43% | 0.434 | S | S | * | . | trans | -61.4 | 90.4 | 166.3 | -73.1 | -178.8 | 160 | 0 | 0 | 106.8 | S476 T480 | S476-E478 PolarHBondContact O-N 3.47Å; E478-T480 HydrophobicContact CB-CG2 3.78Å; E478-T480 PolarHBondContact O-N 3.19Å | ||
| 479 | C | 49.1 | Very low | 56.5 | Low | 45 Ų | 45 | 91.6 Ų | 91.6 | 30% | 0.304 | 46% | 0.464 | S | S | . | . | trans | -69.8 | 63.4 | 159.7 | -60.2 | 0 | 0 | 0 | 0 | 107.9 | V477 N481 Y482 | V477-C479 PolarHBondContact O-N 3.37Å; C479-N481 PolarHBondContact O-N 3.24Å; C479-Y482 PolarHBondContact O-N 3.01Å | ||
| 480 | T | 48.3 | Very low | 56.7 | Low | 93 Ų | 93 | 88.9 Ų | 88.9 | 57% | 0.571 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -24 | 179.4 | 39.5 | 0 | 0 | 0 | 0 | 111.8 | E478 | E478-T480 HydrophobicContact CB-CG2 3.78Å; E478-T480 PolarHBondContact O-N 3.19Å |
| 481 | N | 48.9 | Very low | 57 | Low | 127 Ų | 127 | 89.3 Ų | 89.3 | 68% | 0.679 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -15.8 | -176.4 | -68.9 | -13.1 | 0 | 0 | 0 | 115.2 | C479 | C479-N481 PolarHBondContact O-N 3.24Š|
| 482 | Y | 50.6 | Low | 57.8 | Low | 116 Ų | 116 | 91.4 Ų | 91.4 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -26.3 | 179.6 | -103.8 | -83.5 | 0 | 0 | 0 | 113.6 | C479 S484 Y485 | C479-Y482 PolarHBondContact O-N 3.01Å; Y482-S484 PolarHBondContact O-N 3.08Å; Y482-S484 VanDerWaalsContact O-N 3.11Å; Y482-Y485 PolarHBondContact O-N 3.46Å; Y482-Y485 VanDerWaalsContact O-N 3.09Å |
| 483 | E | 51.4 | Low | 59.2 | Low | 116 Ų | 116 | 91.6 Ų | 91.6 | 54% | 0.542 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.5 | 176.1 | -74 | -159.9 | 146.3 | 0 | 0 | 112.4 | R534 | E483-R534 IonicContact OE1-CZ 3.77Å; E483-R534 VanDerWaalsContact OE1-CZ 3.27Å; E483-R534 IonicContact OE1-NE 3.88Å; E483-R534 PolarHBondContact OE1-NE 3.47Å; E483-R534 IonicContact OE1-NH2 3.72Å; E483-R534 PolarHBondContact OE1-NH2 3.27Å; E483-R534 IonicContact OE2-NH2 3.31Å; E483-R534 PolarHBondContact OE2-NH2 3.19Å |
| 484 | S | 52 | Low | 61.1 | Low | 92 Ų | 92 | 87.9 Ų | 87.9 | 64% | 0.643 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -28.9 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 114.3 | Y482 | Y482-S484 PolarHBondContact O-N 3.08Å; Y482-S484 VanDerWaalsContact O-N 3.11Å |
| 485 | Y | 50.5 | Low | 62.9 | Low | 191 Ų | 191 | 88.2 Ų | 88.2 | 75% | 0.749 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -24.7 | -165 | -87.8 | -80.3 | 0 | 0 | 0 | 115 | Y482 | Y482-Y485 PolarHBondContact O-N 3.46Å; Y482-Y485 VanDerWaalsContact O-N 3.09Å |
| 486 | L | 56 | Low | 65 | Low | 66 Ų | 66 | 90.4 Ų | 90.4 | 35% | 0.346 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -106 | 88.4 | 170.9 | -77.1 | 166 | 0 | 0 | 0 | 109.4 | S488 C490 W491 L541 | L486-S488 PolarHBondContact O-N 3.04Å; L486-C490 HydrophobicContact CD2-CB 4.47Å; L486-W491 HydrophobicContact CD1-CZ2 3.86Å; L486-L541 HydrophobicContact CD1-CD1 4Å; L486-L541 HydrophobicContact CD1-CD2 3.39Å; L486-L541 HydrophobicContact CD1-CG 4.29Å |
| 487 | N | 61.7 | Low | 67.5 | Low | 118 Ų | 118 | 90.8 Ų | 90.8 | 63% | 0.631 | 48% | 0.478 | S | S | * | . | trans | -38.6 | 131.5 | 171.4 | -116.6 | -19.8 | 0 | 0 | 0 | 110.1 | F489 C490 | N487-F489 HydrophobicContact CB-CB 4.26Å; N487-F489 CarbonylContact O-C 3.41Å; N487-F489 PolarHBondContact O-N 2.82Å; N487-C490 PolarHBondContact O-N 3.42Å | ||
| 488 | S | 72.8 | Confident | 69.7 | Low | 79 Ų | 79 | 87.9 Ų | 87.9 | 55% | 0.552 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -47.7 | -27.9 | 175.9 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | L486 T492 | L486-S488 PolarHBondContact O-N 3.04Å; S488-T492 WeakPolarHBondContact O-CB 3.27Å; S488-T492 PolarHBondContact O-N 3.08Å; S488-T492 PolarHBondContact O-OG1 3.07Å |
| 489 | F | 82.2 | Confident | 72 | Confident | 143 Ų | 143 | 84.2 Ų | 84.2 | 63% | 0.627 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -55 | -49.4 | 170.8 | -174.1 | -102.2 | 0 | 0 | 0 | 114.6 | N487 W491 T492 L493 | N487-F489 HydrophobicContact CB-CB 4.26Å; N487-F489 CarbonylContact O-C 3.41Å; N487-F489 PolarHBondContact O-N 2.82Å; F489-W491 PolarHBondContact O-N 3.37Å; F489-T492 PolarHBondContact O-N 3.38Å; F489-L493 HydrophobicContact CE1-CD2 4.36Å; F489-L493 WeakPolarHBondContact O-CB 3.38Å; F489-L493 PolarHBondContact O-N 2.85Å |
| 490 | C | 84.2 | Confident | 74.1 | Confident | 53 Ų | 53 | 83.9 Ų | 83.9 | 36% | 0.358 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | -176.7 | -66 | 0 | 0 | 0 | 0 | 111.8 | L486 N487 T492 L493 I494 | L486-C490 HydrophobicContact CD2-CB 4.47Å; N487-C490 PolarHBondContact O-N 3.42Å; C490-T492 VanDerWaalsContact C-N 3.34Å; C490-L493 PolarHBondContact O-N 3.46Å; C490-I494 VanDerWaalsContact O-CG1 3.31Å; C490-I494 WeakPolarHBondContact O-CG1 3.34Å; C490-I494 PolarHBondContact O-N 2.82Å |
| 491 | W | 83 | Confident | 76.1 | Confident | 24 Ų | 24 | 82.7 Ų | 82.7 | 9% | 0.091 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 176.2 | -70.6 | 111.2 | 0 | 0 | 0 | 112.5 | L486 F489 L493 I494 N495 N531 R537 L540 L541 | L486-W491 HydrophobicContact CD1-CZ2 3.86Å; F489-W491 PolarHBondContact O-N 3.37Å; W491-L493 VanDerWaalsContact C-N 3.35Å; W491-I494 HydrophobicContact CE3-CD1 4.23Å; W491-I494 HydrophobicContact CZ3-CD1 4.45Å; W491-I494 PolarHBondContact O-N 3Å; W491-N495 WeakPolarHBondContact O-CB 3.41Å; W491-N495 VanDerWaalsContact O-CG 3.32Å; W491-N495 PolarHBondContact O-N 3.22Å; W491-N495 PolarHBondContact O-ND2 2.93Å; W491-N531 HydrophobicContact CE3-CB 4.21Å; W491-N531 HydrophobicContact CZ3-CB 4.37Å; W491-N531 WeakPolarHBondContact CZ3-OD1 3.17Å; W491-R537 HydrophobicContact CD2-CG 3.96Å; W491-R537 HydrophobicContact CE3-CG 4.2Å; W491-R537 HydrophobicContact CG-CG 4.3Å; W491-R537 HydrophobicContact CZ2-CB 4.43Å; W491-L540 HydrophobicContact CH2-CD2 3.96Å; W491-L540 HydrophobicContact CZ3-CD2 4.31Å; W491-L541 HydrophobicContact CZ2-CD1 4Å; W491-L541 HydrophobicContact CZ2-CD2 4.02Å; W491-L541 HydrophobicContact CZ2-CG 3.94Å |
| 492 | T | 84.8 | Confident | 78.1 | Confident | 64 Ų | 64 | 77.1 Ų | 77.1 | 39% | 0.393 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 175.4 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | S488 F489 C490 N495 C496 | S488-T492 WeakPolarHBondContact O-CB 3.27Å; S488-T492 PolarHBondContact O-N 3.08Å; S488-T492 PolarHBondContact O-OG1 3.07Å; F489-T492 PolarHBondContact O-N 3.38Å; C490-T492 VanDerWaalsContact C-N 3.34Å; T492-N495 PolarHBondContact O-N 2.98Å; T492-C496 WeakPolarHBondContact O-CB 3.4Å; T492-C496 PolarHBondContact O-N 3.15Å; T492-C496 PolarHBondContact O-SG 3.47Å |
| 493 | L | 89.3 | Confident | 80 | Confident | 84 Ų | 84 | 76.4 Ų | 76.4 | 44% | 0.44 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 176 | -178 | 63.7 | 0 | 0 | 0 | 111.7 | F489 C490 W491 N495 C496 I497 | F489-L493 HydrophobicContact CE1-CD2 4.36Å; F489-L493 WeakPolarHBondContact O-CB 3.38Å; F489-L493 PolarHBondContact O-N 2.85Å; C490-L493 PolarHBondContact O-N 3.46Å; W491-L493 VanDerWaalsContact C-N 3.35Å; L493-N495 VanDerWaalsContact C-N 3.35Å; L493-N495 PolarHBondContact O-N 3.36Å; L493-C496 PolarHBondContact O-N 3.3Å; L493-I497 HydrophobicContact CD1-CD1 4.27Å; L493-I497 HydrophobicContact CG-CD1 3.98Å; L493-I497 VanDerWaalsContact O-CG1 3.27Å; L493-I497 WeakPolarHBondContact O-CG1 3.43Å; L493-I497 PolarHBondContact O-N 3.01Å |
| 494 | I | 88.7 | Confident | 81.7 | Confident | 67 Ų | 67 | 74.3 Ų | 74.3 | 34% | 0.344 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.6 | -47.1 | 175.9 | -68.2 | 164.5 | 0 | 0 | 0 | 110.6 | C490 W491 C496 I497 V498 | C490-I494 VanDerWaalsContact O-CG1 3.31Å; C490-I494 WeakPolarHBondContact O-CG1 3.34Å; C490-I494 PolarHBondContact O-N 2.82Å; W491-I494 HydrophobicContact CE3-CD1 4.23Å; W491-I494 HydrophobicContact CZ3-CD1 4.45Å; W491-I494 PolarHBondContact O-N 3Å; I494-C496 PolarHBondContact O-N 2.89Å; I494-I497 PolarHBondContact O-N 2.91Å; I494-V498 HydrophobicContact CG2-CG2 4.34Å; I494-V498 VanDerWaalsContact O-CG2 3.27Å; I494-V498 WeakPolarHBondContact O-CG2 3.36Å; I494-V498 PolarHBondContact O-N 3.22Å |
| 495 | N | 89 | Confident | 83.4 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 7% | 0.07 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 177.9 | -71.9 | -29.1 | 0 | 0 | 0 | 111.8 | W491 T492 L493 I497 V498 I499 L528 N531 | W491-N495 WeakPolarHBondContact O-CB 3.41Å; W491-N495 VanDerWaalsContact O-CG 3.32Å; W491-N495 PolarHBondContact O-N 3.22Å; W491-N495 PolarHBondContact O-ND2 2.93Å; T492-N495 PolarHBondContact O-N 2.98Å; L493-N495 VanDerWaalsContact C-N 3.35Å; L493-N495 PolarHBondContact O-N 3.36Å; N495-I497 VanDerWaalsContact C-N 3.33Å; N495-I497 PolarHBondContact O-N 2.94Å; N495-V498 PolarHBondContact O-N 2.96Å; N495-I499 WeakPolarHBondContact O-CB 3.42Å; N495-I499 WeakPolarHBondContact O-CD1 3.34Å; N495-I499 WeakPolarHBondContact O-CG1 3.46Å; N495-I499 PolarHBondContact O-N 3.47Å; N495-L528 HydrophobicContact CB-CD2 4.3Å; N495-N531 PolarHBondContact ND2-O 3.49Å; N495-N531 WeakPolarHBondContact OD1-CB 3.34Å |
| 496 | C | 92.1 | Very high | 85.1 | Confident | 76 Ų | 76 | 65.6 Ų | 65.6 | 51% | 0.514 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 174.6 | -71.1 | 0 | 0 | 0 | 0 | 111.9 | T492 L493 I494 G500 | T492-C496 WeakPolarHBondContact O-CB 3.4Å; T492-C496 PolarHBondContact O-N 3.15Å; T492-C496 PolarHBondContact O-SG 3.47Å; L493-C496 PolarHBondContact O-N 3.3Å; I494-C496 PolarHBondContact O-N 2.89Å; C496-G500 WeakPolarHBondContact O-CA 3.46Å; C496-G500 PolarHBondContact O-N 3.39Å |
| 497 | I | 92.6 | Very high | 86.4 | Confident | 105 Ų | 105 | 67 Ų | 67 | 54% | 0.538 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 176 | -68.5 | 164.4 | 0 | 0 | 0 | 110.5 | L493 I494 N495 G500 F501 | L493-I497 HydrophobicContact CD1-CD1 4.27Å; L493-I497 HydrophobicContact CG-CD1 3.98Å; L493-I497 VanDerWaalsContact O-CG1 3.27Å; L493-I497 WeakPolarHBondContact O-CG1 3.43Å; L493-I497 PolarHBondContact O-N 3.01Å; I494-I497 PolarHBondContact O-N 2.91Å; N495-I497 VanDerWaalsContact C-N 3.33Å; N495-I497 PolarHBondContact O-N 2.94Å; I497-G500 PolarHBondContact O-N 3.21Å; I497-F501 WeakPolarHBondContact O-CB 3.43Å; I497-F501 PolarHBondContact O-N 3.2Å |
| 498 | V | 92.6 | Very high | 87.2 | Confident | 17 Ų | 17 | 63.3 Ų | 63.3 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | -179.8 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | I494 N495 F501 G502 L524 V527 L528 | I494-V498 HydrophobicContact CG2-CG2 4.34Å; I494-V498 VanDerWaalsContact O-CG2 3.27Å; I494-V498 WeakPolarHBondContact O-CG2 3.36Å; I494-V498 PolarHBondContact O-N 3.22Å; N495-V498 PolarHBondContact O-N 2.96Å; V498-F501 PolarHBondContact O-N 2.88Å; V498-G502 PolarHBondContact O-N 2.97Å; V498-L524 HydrophobicContact CG1-CB 3.88Å; V498-L524 HydrophobicContact CG1-CD2 4.06Å; V498-V527 HydrophobicContact CG2-CG1 3.82Å; V498-L528 HydrophobicContact CB-CD2 4.16Å; V498-L528 HydrophobicContact CB-CG 4.5Å; V498-L528 HydrophobicContact CG1-CD1 4.17Å; V498-L528 HydrophobicContact CG1-CD2 3.89Å; V498-L528 HydrophobicContact CG1-CG 3.68Å |
| 499 | I | 92.5 | Very high | 87.7 | Confident | 80 Ų | 80 | 61 Ų | 61 | 41% | 0.41 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 174.4 | -68.1 | 165.9 | 0 | 0 | 0 | 110.1 | N495 F501 G502 L503 L528 | N495-I499 WeakPolarHBondContact O-CB 3.42Å; N495-I499 WeakPolarHBondContact O-CD1 3.34Å; N495-I499 WeakPolarHBondContact O-CG1 3.46Å; N495-I499 PolarHBondContact O-N 3.47Å; I499-F501 VanDerWaalsContact C-N 3.33Å; I499-F501 PolarHBondContact O-N 3.24Å; I499-G502 PolarHBondContact O-N 3.28Å; I499-G502 VanDerWaalsContact O-N 3.17Å; I499-L503 HydrophobicContact CG2-CD1 4.05Å; I499-L503 HydrophobicContact CG2-CG 4.32Å; I499-L503 WeakPolarHBondContact O-CB 3.43Å; I499-L503 WeakPolarHBondContact O-CG 3.5Å; I499-L503 PolarHBondContact O-N 2.92Å; I499-L528 HydrophobicContact CD1-CD2 4.4Å; I499-L528 HydrophobicContact CG1-CD1 4.14Å; I499-L528 HydrophobicContact CG1-CD2 4Å |
| 500 | G | 93.3 | Very high | 87.4 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 38% | 0.381 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | C496 I497 L503 L504 | C496-G500 WeakPolarHBondContact O-CA 3.46Å; C496-G500 PolarHBondContact O-N 3.39Å; I497-G500 PolarHBondContact O-N 3.21Å; G500-L503 PolarHBondContact O-N 3.18Å; G500-L504 WeakPolarHBondContact O-CB 3.4Å; G500-L504 PolarHBondContact O-N 3.44Å |
| 501 | F | 91 | Very high | 87 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 30% | 0.298 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 174.1 | -171.2 | -96.9 | 0 | 0 | 0 | 111.9 | F454 I497 V498 I499 L503 L504 V505 L524 | F454-F501 AromaticContact CE1-CE1 3.95Å; F454-F501 HydrophobicContact CE1-CE1 3.95Å; F454-F501 HydrophobicContact CE1-CZ 4.38Å; F454-F501 AromaticContact CZ-CE1 3.92Å; F454-F501 HydrophobicContact CZ-CE1 3.92Å; F454-F501 AromaticContact CZ-CZ 3.87Å; F454-F501 HydrophobicContact CZ-CZ 3.87Å; I497-F501 WeakPolarHBondContact O-CB 3.43Å; I497-F501 PolarHBondContact O-N 3.2Å; V498-F501 PolarHBondContact O-N 2.88Å; I499-F501 VanDerWaalsContact C-N 3.33Å; I499-F501 PolarHBondContact O-N 3.24Å; F501-L503 PolarHBondContact O-N 2.78Å; F501-L504 HydrophobicContact CD2-CD2 4.26Å; F501-L504 HydrophobicContact CE2-CD2 4.49Å; F501-L504 CarbonylContact O-C 3.47Å; F501-L504 WeakPolarHBondContact O-CA 3.3Å; F501-L504 VanDerWaalsContact O-CB 3.23Å; F501-L504 WeakPolarHBondContact O-CB 3.31Å; F501-L504 PolarHBondContact O-N 2.85Å; F501-L504 VanDerWaalsContact O-N 3.15Å; F501-V505 HydrophobicContact CD1-CG2 4.14Å; F501-V505 HydrophobicContact CE1-CG2 3.77Å; F501-V505 HydrophobicContact CZ-CG2 4.22Å; F501-V505 WeakPolarHBondContact O-CG2 3.5Å; F501-V505 PolarHBondContact O-N 2.84Å; F501-L524 HydrophobicContact CD1-CD1 3.5Å; F501-L524 VanDerWaalsContact CD1-CD1 3.5Å; F501-L524 HydrophobicContact CD1-CD2 3.58Å; F501-L524 HydrophobicContact CD1-CG 4.12Å; F501-L524 HydrophobicContact CE1-CD1 4.01Å; F501-L524 HydrophobicContact CE1-CD2 4.18Å |
| 502 | G | 90.7 | Very high | 86.5 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 10% | 0.103 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V498 I499 L504 V505 L506 | V498-G502 PolarHBondContact O-N 2.97Å; I499-G502 PolarHBondContact O-N 3.28Å; I499-G502 VanDerWaalsContact O-N 3.17Å; G502-L504 VanDerWaalsContact C-N 3.31Å; G502-V505 PolarHBondContact O-N 3.22Å; G502-L506 WeakPolarHBondContact O-CG 3.45Å; G502-L506 PolarHBondContact O-N 3.29Å |
| 503 | L | 90 | Very high | 86.1 | Confident | 102 Ų | 102 | 63 Ų | 63 | 53% | 0.534 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 172.5 | -70 | 172.6 | 0 | 0 | 0 | 111.3 | I499 G500 F501 L506 T507 | I499-L503 HydrophobicContact CG2-CD1 4.05Å; I499-L503 HydrophobicContact CG2-CG 4.32Å; I499-L503 WeakPolarHBondContact O-CB 3.43Å; I499-L503 WeakPolarHBondContact O-CG 3.5Å; I499-L503 PolarHBondContact O-N 2.92Å; G500-L503 PolarHBondContact O-N 3.18Å; F501-L503 PolarHBondContact O-N 2.78Å; L503-L506 PolarHBondContact O-N 3.18Å; L503-T507 WeakPolarHBondContact O-CG2 3.43Å; L503-T507 PolarHBondContact O-N 3.22Å |
| 504 | L | 87.1 | Confident | 85.8 | Confident | 71 Ų | 71 | 66.1 Ų | 66.1 | 37% | 0.372 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 173.9 | -162.5 | 75.4 | 0 | 0 | 0 | 112 | F391 G500 F501 G502 L506 T507 F508 | F391-L504 HydrophobicContact CE1-CD1 4.22Å; F391-L504 HydrophobicContact CE2-CD1 4.11Å; F391-L504 HydrophobicContact CE2-CD2 3.68Å; F391-L504 HydrophobicContact CE2-CG 3.76Å; F391-L504 HydrophobicContact CZ-CD1 3.37Å; F391-L504 HydrophobicContact CZ-CD2 3.82Å; F391-L504 HydrophobicContact CZ-CG 3.52Å; G500-L504 WeakPolarHBondContact O-CB 3.4Å; G500-L504 PolarHBondContact O-N 3.44Å; F501-L504 HydrophobicContact CD2-CD2 4.26Å; F501-L504 HydrophobicContact CE2-CD2 4.49Å; F501-L504 CarbonylContact O-C 3.47Å; F501-L504 WeakPolarHBondContact O-CA 3.3Å; F501-L504 VanDerWaalsContact O-CB 3.23Å; F501-L504 WeakPolarHBondContact O-CB 3.31Å; F501-L504 PolarHBondContact O-N 2.85Å; F501-L504 VanDerWaalsContact O-N 3.15Å; G502-L504 VanDerWaalsContact C-N 3.31Å; L504-L506 VanDerWaalsContact C-N 3.33Å; L504-T507 PolarHBondContact O-N 3.39Å; L504-T507 PolarHBondContact O-OG1 3.13Å; L504-F508 WeakPolarHBondContact O-CD2 3.38Å |
| 505 | V | 87.5 | Confident | 85.7 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 5% | 0.048 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 174.8 | 173.3 | 0 | 0 | 0 | 0 | 110.2 | F501 G502 T507 F508 A509 T517 Q520 L521 | F501-V505 HydrophobicContact CD1-CG2 4.14Å; F501-V505 HydrophobicContact CE1-CG2 3.77Å; F501-V505 HydrophobicContact CZ-CG2 4.22Å; F501-V505 WeakPolarHBondContact O-CG2 3.5Å; F501-V505 PolarHBondContact O-N 2.84Å; G502-V505 PolarHBondContact O-N 3.22Å; V505-T507 VanDerWaalsContact C-N 3.35Å; V505-T507 PolarHBondContact O-N 3.2Å; V505-F508 PolarHBondContact O-N 3.25Å; V505-F508 VanDerWaalsContact O-N 3.14Å; V505-A509 PolarHBondContact O-N 3.06Å; V505-A509 VanDerWaalsContact O-N 3.12Å; V505-T517 HydrophobicContact CG1-CG2 4.13Å; V505-Q520 HydrophobicContact CG1-CB 3.87Å; V505-Q520 HydrophobicContact CG2-CB 4.08Å; V505-L521 HydrophobicContact CB-CD2 4.24Å; V505-L521 HydrophobicContact CG1-CD2 4.14Å; V505-L521 HydrophobicContact CG1-CG 4.09Å |
| 506 | L | 87 | Confident | 85.6 | Confident | 92 Ų | 92 | 63.4 Ų | 63.4 | 48% | 0.482 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.7 | -30.4 | 179.8 | -72.1 | 172.1 | 0 | 0 | 0 | 113.7 | G502 L503 L504 F508 A509 L521 | G502-L506 WeakPolarHBondContact O-CG 3.45Å; G502-L506 PolarHBondContact O-N 3.29Å; L503-L506 PolarHBondContact O-N 3.18Å; L504-L506 VanDerWaalsContact C-N 3.33Å; L506-F508 PolarHBondContact O-N 3.48Å; L506-A509 VanDerWaalsContact O-CB 3.29Å; L506-A509 WeakPolarHBondContact O-CB 3.2Å; L506-A509 PolarHBondContact O-N 3.43Å; L506-L521 HydrophobicContact CD2-CD1 3.87Å; L506-L521 HydrophobicContact CG-CD1 4.45Å; L506-L521 HydrophobicContact CG-CD2 4.42Å |
| 507 | T | 83.4 | Confident | 85.5 | Confident | 96 Ų | 96 | 60.3 Ų | 60.3 | 59% | 0.589 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.7 | -26.9 | 174 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | L503 L504 V505 | L503-T507 WeakPolarHBondContact O-CG2 3.43Å; L503-T507 PolarHBondContact O-N 3.22Å; L504-T507 PolarHBondContact O-N 3.39Å; L504-T507 PolarHBondContact O-OG1 3.13Å; V505-T507 VanDerWaalsContact C-N 3.35Å; V505-T507 PolarHBondContact O-N 3.2Å |
| 508 | F | 78.1 | Confident | 85.5 | Confident | 41 Ų | 41 | 58 Ų | 58 | 18% | 0.18 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -91 | -7.7 | 174.6 | -76.5 | -97.2 | 0 | 0 | 0 | 113.6 | S389 F391 L504 V505 L506 N510 S511 W512 | S389-F508 WeakPolarHBondContact O-CD1 3.18Å; F391-F508 HydrophobicContact CD1-CE2 4.05Å; F391-F508 AromaticContact CD1-CZ 3.65Å; F391-F508 HydrophobicContact CD1-CZ 3.65Å; F391-F508 HydrophobicContact CD2-CE2 4.22Å; F391-F508 HydrophobicContact CD2-CZ 4.1Å; F391-F508 AromaticContact CE1-CE2 3.31Å; F391-F508 HydrophobicContact CE1-CE2 3.31Å; F391-F508 AromaticContact CE1-CZ 3.38Å; F391-F508 HydrophobicContact CE1-CZ 3.38Å; F391-F508 HydrophobicContact CE2-CD2 4.04Å; F391-F508 AromaticContact CE2-CE2 3.49Å; F391-F508 HydrophobicContact CE2-CE2 3.49Å; F391-F508 VanDerWaalsContact CE2-CE2 3.49Å; F391-F508 AromaticContact CE2-CZ 3.84Å; F391-F508 HydrophobicContact CE2-CZ 3.84Å; F391-F508 HydrophobicContact CG-CE2 4.45Å; F391-F508 HydrophobicContact CG-CZ 4.01Å; F391-F508 AromaticContact CZ-CD2 3.82Å; F391-F508 HydrophobicContact CZ-CD2 3.82Å; F391-F508 AromaticContact CZ-CE2 2.97Å; F391-F508 HydrophobicContact CZ-CE2 2.97Å; F391-F508 AromaticContact CZ-CZ 3.47Å; F391-F508 HydrophobicContact CZ-CZ 3.47Å; F391-F508 VanDerWaalsContact CZ-CZ 3.47Å; L504-F508 WeakPolarHBondContact O-CD2 3.38Å; V505-F508 PolarHBondContact O-N 3.25Å; V505-F508 VanDerWaalsContact O-N 3.14Å; L506-F508 PolarHBondContact O-N 3.48Å; F508-N510 PolarHBondContact O-N 2.92Å; F508-N510 VanDerWaalsContact O-N 3.1Å; F508-S511 WeakPolarHBondContact O-CA 3.35Å; F508-S511 WeakPolarHBondContact O-CB 3.27Å; F508-S511 PolarHBondContact O-N 3.48Å; F508-W512 VanDerWaalsContact O-CD1 3.27Å; F508-W512 PolarHBondContact O-N 3.29Å; F508-W512 VanDerWaalsContact O-N 3.11Å |
| 509 | A | 81.8 | Confident | 85.5 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 26% | 0.256 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V505 L506 S511 W512 T517 | V505-A509 PolarHBondContact O-N 3.06Å; V505-A509 VanDerWaalsContact O-N 3.12Å; L506-A509 VanDerWaalsContact O-CB 3.29Å; L506-A509 WeakPolarHBondContact O-CB 3.2Å; L506-A509 PolarHBondContact O-N 3.43Å; A509-S511 VanDerWaalsContact C-N 3.32Å; A509-W512 VanDerWaalsContact O-O 3.04Å; A509-T517 HydrophobicContact CB-CG2 3.71Å |
| 510 | N | 77.3 | Confident | 85.4 | Confident | 159 Ų | 159 | 54 Ų | 54 | 85% | 0.85 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -20.6 | 174.7 | -169.5 | 54 | 0 | 0 | 0 | 113.3 | F508 | F508-N510 PolarHBondContact O-N 2.92Å; F508-N510 VanDerWaalsContact O-N 3.1Å |
| 511 | S | 74.9 | Confident | 85.4 | Confident | 53 Ų | 53 | 54 Ų | 54 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -16.6 | 176.3 | -63.5 | 0 | 0 | 0 | 0 | 112.8 | F508 A509 | F508-S511 WeakPolarHBondContact O-CA 3.35Å; F508-S511 WeakPolarHBondContact O-CB 3.27Å; F508-S511 PolarHBondContact O-N 3.48Å; A509-S511 VanDerWaalsContact C-N 3.32Å |
| 512 | W | 72.1 | Confident | 85.5 | Confident | 37 Ų | 37 | 51.6 Ų | 51.6 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -105.4 | 162.8 | 180 | -74.5 | 61.3 | 0 | 0 | 0 | 111.3 | S389 H390 Y450 L451 F508 A509 P516 | S389-W512 PolarHBondContact O-NE1 3.43Å; H390-W512 AromaticContact CE1-CZ2 3.95Å; H390-W512 AromaticContact NE2-CZ2 3.95Å; Y450-W512 HydrophobicContact CD1-CH2 4.39Å; Y450-W512 HydrophobicContact CE1-CH2 4.13Å; L451-W512 HydrophobicContact CD1-CZ3 4.35Å; L451-W512 HydrophobicContact CD2-CH2 4.29Å; L451-W512 HydrophobicContact CD2-CZ3 4.01Å; F508-W512 VanDerWaalsContact O-CD1 3.27Å; F508-W512 PolarHBondContact O-N 3.29Å; F508-W512 VanDerWaalsContact O-N 3.11Å; A509-W512 VanDerWaalsContact O-O 3.04Å; W512-P516 HydrophobicContact CD2-CB 4.33Å; W512-P516 HydrophobicContact CE3-CB 3.14Å; W512-P516 HydrophobicContact CE3-CG 3.61Å; W512-P516 HydrophobicContact CH2-CB 4.42Å; W512-P516 HydrophobicContact CZ3-CB 3.17Å; W512-P516 HydrophobicContact CZ3-CG 3.83Å |
| 513 | S | 76.9 | Confident | 85.7 | Confident | 75 Ų | 75 | 51.4 Ų | 51.4 | 52% | 0.524 | 29% | 0.292 | S | S | . | . | trans | -69.1 | 162.4 | 160.1 | 61 | 0 | 0 | 0 | 0 | 110.6 | G515 P516 T517 | S513-G515 VanDerWaalsContact C-N 3.27Å; S513-G515 PolarHBondContact O-N 2.95Å; S513-P516 WeakPolarHBondContact OG-CD 3.47Å; S513-T517 PolarHBondContact O-OG1 3.15Å | ||
| 514 | L | 83.3 | Confident | 85.9 | Confident | 150 Ų | 150 | 47.6 Ų | 47.6 | 79% | 0.785 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.9 | -36 | -179.2 | -73.4 | 168 | 0 | 0 | 0 | 112.6 | T517 V518 | L514-T517 PolarHBondContact O-N 3.29Å; L514-V518 WeakPolarHBondContact O-CG2 3.43Å; L514-V518 PolarHBondContact O-N 2.86Å |
| 515 | G | 86.6 | Confident | 86.1 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.6 | -62.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D23 S513 T517 V518 Y519 | D23-G515 WeakPolarHBondContact OD2-CA 3.32Å; S513-G515 VanDerWaalsContact C-N 3.27Å; S513-G515 PolarHBondContact O-N 2.95Å; G515-T517 VanDerWaalsContact C-N 3.29Å; G515-T517 PolarHBondContact O-N 2.95Å; G515-V518 WeakPolarHBondContact O-CA 3.39Å; G515-V518 WeakPolarHBondContact O-CB 3.42Å; G515-V518 PolarHBondContact O-N 3.33Å; G515-Y519 VanDerWaalsContact C-CE2 3.43Å; G515-Y519 WeakPolarHBondContact O-CD2 3.38Å; G515-Y519 WeakPolarHBondContact O-CE2 3.45Å; G515-Y519 VanDerWaalsContact O-CG 3.31Å; G515-Y519 PolarHBondContact O-N 3.33Å |
| 516 | P | 87.5 | Confident | 86.3 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 7% | 0.065 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.4 | -29.3 | -177.5 | -22.7 | 33.9 | 0 | 0 | 0 | 114.8 | L451 W512 S513 V518 Y519 Q520 | L451-P516 HydrophobicContact CD1-CB 3.94Å; L451-P516 HydrophobicContact CD1-CG 4.06Å; L451-P516 HydrophobicContact CD2-CB 3.82Å; W512-P516 HydrophobicContact CD2-CB 4.33Å; W512-P516 HydrophobicContact CE3-CB 3.14Å; W512-P516 HydrophobicContact CE3-CG 3.61Å; W512-P516 HydrophobicContact CH2-CB 4.42Å; W512-P516 HydrophobicContact CZ3-CB 3.17Å; W512-P516 HydrophobicContact CZ3-CG 3.83Å; S513-P516 WeakPolarHBondContact OG-CD 3.47Å; P516-V518 VanDerWaalsContact C-N 3.28Å; P516-V518 PolarHBondContact O-N 3.33Å; P516-Y519 VanDerWaalsContact CA-CD2 3.48Å; P516-Y519 HydrophobicContact CB-CD2 4.37Å; P516-Y519 PolarHBondContact O-N 2.89Å; P516-Q520 WeakPolarHBondContact O-CG 3.27Å; P516-Q520 PolarHBondContact O-N 3.4Å; P516-Q520 PolarHBondContact O-NE2 3.05Å |
| 517 | T | 89.6 | Confident | 86.5 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 170.6 | -57.1 | 0 | 0 | 0 | 0 | 109.6 | V505 A509 S513 L514 G515 Q520 L521 | V505-T517 HydrophobicContact CG1-CG2 4.13Å; A509-T517 HydrophobicContact CB-CG2 3.71Å; S513-T517 PolarHBondContact O-OG1 3.15Å; L514-T517 PolarHBondContact O-N 3.29Å; G515-T517 VanDerWaalsContact C-N 3.29Å; G515-T517 PolarHBondContact O-N 2.95Å; T517-Q520 PolarHBondContact O-N 3.11Å; T517-L521 HydrophobicContact CG2-CD1 3.96Å; T517-L521 WeakPolarHBondContact O-CB 3.27Å; T517-L521 VanDerWaalsContact O-CG 3.23Å; T517-L521 WeakPolarHBondContact O-CG 3.44Å; T517-L521 PolarHBondContact O-N 3.06Å; T517-L521 VanDerWaalsContact O-N 3.08Å |
| 518 | V | 91.5 | Very high | 86.8 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 34% | 0.339 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.8 | -47.8 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 111 | V16 L514 G515 P516 Q520 L521 V522 | V16-V518 HydrophobicContact CG1-CG1 3.97Å; V16-V518 HydrophobicContact CG2-CG1 3.88Å; L514-V518 WeakPolarHBondContact O-CG2 3.43Å; L514-V518 PolarHBondContact O-N 2.86Å; G515-V518 WeakPolarHBondContact O-CA 3.39Å; G515-V518 WeakPolarHBondContact O-CB 3.42Å; G515-V518 PolarHBondContact O-N 3.33Å; P516-V518 VanDerWaalsContact C-N 3.28Å; P516-V518 PolarHBondContact O-N 3.33Å; V518-Q520 PolarHBondContact O-N 3.26Å; V518-L521 PolarHBondContact O-N 3.4Å; V518-V522 HydrophobicContact CG1-CG2 3.96Å; V518-V522 WeakPolarHBondContact O-CG2 3.26Å; V518-V522 PolarHBondContact O-N 2.95Å |
| 519 | Y | 92.4 | Very high | 87.2 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 2% | 0.02 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.7 | -35.2 | -178.5 | -52.4 | -34.6 | 0 | 0 | 0 | 112.9 | V16 Y19 D23 I24 V455 G515 P516 P523 | V16-Y519 HydrophobicContact CG1-CD1 3.62Å; V16-Y519 HydrophobicContact CG1-CE1 3.81Å; Y19-Y519 WeakPolarHBondContact CD1-OH 3.43Å; D23-Y519 HydrophobicContact CB-CE2 3.78Å; D23-Y519 WeakPolarHBondContact CB-OH 3.26Å; D23-Y519 VanDerWaalsContact CG-OH 3.3Å; D23-Y519 PolarHBondContact OD2-OH 3.46Å; I24-Y519 HydrophobicContact CD1-CD2 4.37Å; V455-Y519 HydrophobicContact CG2-CG 4.44Å; G515-Y519 VanDerWaalsContact C-CE2 3.43Å; G515-Y519 WeakPolarHBondContact O-CD2 3.38Å; G515-Y519 WeakPolarHBondContact O-CE2 3.45Å; G515-Y519 VanDerWaalsContact O-CG 3.31Å; G515-Y519 PolarHBondContact O-N 3.33Å; P516-Y519 VanDerWaalsContact CA-CD2 3.48Å; P516-Y519 HydrophobicContact CB-CD2 4.37Å; P516-Y519 PolarHBondContact O-N 2.89Å; Y519-P523 WeakPolarHBondContact O-CD 3.03Å |
| 520 | Q | 92 | Very high | 87.3 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.8 | -37 | 175.6 | -69.7 | 172.9 | 58.2 | 0 | 0 | 112.7 | Y450 L451 F454 V505 P516 T517 V518 P523 L524 | Y450-Q520 HydrophobicContact CE1-CG 4.24Å; Y450-Q520 PolarHBondContact OH-OE1 2.67Å; Y450-Q520 VanDerWaalsContact OH-OE1 3.12Å; L451-Q520 HydrophobicContact CD2-CG 4.38Å; F454-Q520 HydrophobicContact CD1-CB 4.26Å; F454-Q520 HydrophobicContact CD1-CG 4.23Å; F454-Q520 HydrophobicContact CD2-CG 3.96Å; F454-Q520 HydrophobicContact CE1-CB 4.31Å; F454-Q520 HydrophobicContact CE1-CG 4.31Å; F454-Q520 HydrophobicContact CE2-CG 4.09Å; F454-Q520 HydrophobicContact CG-CG 4.07Å; F454-Q520 HydrophobicContact CZ-CG 4.25Å; V505-Q520 HydrophobicContact CG1-CB 3.87Å; V505-Q520 HydrophobicContact CG2-CB 4.08Å; P516-Q520 WeakPolarHBondContact O-CG 3.27Å; P516-Q520 PolarHBondContact O-N 3.4Å; P516-Q520 PolarHBondContact O-NE2 3.05Å; T517-Q520 PolarHBondContact O-N 3.11Å; V518-Q520 PolarHBondContact O-N 3.26Å; Q520-P523 WeakPolarHBondContact O-CD 3.3Å; Q520-P523 WeakPolarHBondContact O-CG 3.38Å; Q520-L524 WeakPolarHBondContact O-CD1 3.3Å; Q520-L524 WeakPolarHBondContact O-CG 3.48Å |
| 521 | L | 92.9 | Very high | 87.7 | Confident | 35 Ų | 35 | 36 Ų | 36 | 18% | 0.183 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -74.6 | -37.8 | -178.1 | -71.4 | 174.8 | 0 | 0 | 0 | 113.5 | V505 L506 T517 V518 L524 I525 | V505-L521 HydrophobicContact CB-CD2 4.24Å; V505-L521 HydrophobicContact CG1-CD2 4.14Å; V505-L521 HydrophobicContact CG1-CG 4.09Å; L506-L521 HydrophobicContact CD2-CD1 3.87Å; L506-L521 HydrophobicContact CG-CD1 4.45Å; L506-L521 HydrophobicContact CG-CD2 4.42Å; T517-L521 HydrophobicContact CG2-CD1 3.96Å; T517-L521 WeakPolarHBondContact O-CB 3.27Å; T517-L521 VanDerWaalsContact O-CG 3.23Å; T517-L521 WeakPolarHBondContact O-CG 3.44Å; T517-L521 PolarHBondContact O-N 3.06Å; T517-L521 VanDerWaalsContact O-N 3.08Å; V518-L521 PolarHBondContact O-N 3.4Å; L521-L524 HydrophobicContact CD2-CD1 4.29Å; L521-L524 WeakPolarHBondContact O-CB 3.18Å; L521-L524 PolarHBondContact O-N 3.21Å; L521-L524 VanDerWaalsContact O-N 3.15Å; L521-I525 HydrophobicContact CB-CD1 4.33Å; L521-I525 VanDerWaalsContact O-CG1 3.31Å; L521-I525 WeakPolarHBondContact O-CG1 3.24Å; L521-I525 PolarHBondContact O-N 2.98Å |
| 522 | V | 93.3 | Very high | 88 | Confident | 19 Ų | 19 | 42.2 Ų | 42.2 | 12% | 0.115 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -52.9 | -53.1 | -177.6 | 177.9 | 0 | 0 | 0 | 0 | 113.2 | V13 V16 T458 V518 L524 I525 L526 | V13-V522 HydrophobicContact CG2-CG1 4.45Å; V16-V522 HydrophobicContact CG1-CG2 4.09Å; T458-V522 HydrophobicContact CG2-CB 4.42Å; T458-V522 HydrophobicContact CG2-CG1 3.56Å; V518-V522 HydrophobicContact CG1-CG2 3.96Å; V518-V522 WeakPolarHBondContact O-CG2 3.26Å; V518-V522 PolarHBondContact O-N 2.95Å; V522-L524 VanDerWaalsContact C-N 3.28Å; V522-L524 PolarHBondContact O-N 3.29Å; V522-I525 WeakPolarHBondContact O-CB 3.5Å; V522-I525 PolarHBondContact O-N 2.84Å; V522-I525 VanDerWaalsContact O-N 3.17Å; V522-L526 HydrophobicContact CG1-CD1 4.19Å; V522-L526 HydrophobicContact CG1-CG 4.39Å; V522-L526 WeakPolarHBondContact O-CG 3.35Å; V522-L526 PolarHBondContact O-N 2.76Å |
| 523 | P | 94.2 | Very high | 88.4 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.039 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.3 | -33.8 | -179.3 | 23.1 | -30.4 | 0 | 0 | 0 | 112.1 | F454 T458 L461 Y519 Q520 L526 V527 | F454-P523 HydrophobicContact CB-CG 4.41Å; F454-P523 HydrophobicContact CD1-CG 3.67Å; T458-P523 WeakPolarHBondContact OG1-CD 3.46Å; L461-P523 HydrophobicContact CD1-CB 3.49Å; L461-P523 VanDerWaalsContact CD1-CB 3.49Å; L461-P523 WeakPolarHBondContact CD1-O 3.45Å; Y519-P523 WeakPolarHBondContact O-CD 3.03Å; Q520-P523 WeakPolarHBondContact O-CD 3.3Å; Q520-P523 WeakPolarHBondContact O-CG 3.38Å; P523-L526 PolarHBondContact O-N 2.9Å; P523-V527 WeakPolarHBondContact O-CG2 3.35Å; P523-V527 PolarHBondContact O-N 2.83Å |
| 524 | L | 94.2 | Very high | 88.4 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 174.6 | -55.4 | 171.2 | 0 | 0 | 0 | 111.4 | V498 F501 Q520 L521 V522 L526 V527 L528 | V498-L524 HydrophobicContact CG1-CB 3.88Å; V498-L524 HydrophobicContact CG1-CD2 4.06Å; F501-L524 HydrophobicContact CD1-CD1 3.5Å; F501-L524 VanDerWaalsContact CD1-CD1 3.5Å; F501-L524 HydrophobicContact CD1-CD2 3.58Å; F501-L524 HydrophobicContact CD1-CG 4.12Å; F501-L524 HydrophobicContact CE1-CD1 4.01Å; F501-L524 HydrophobicContact CE1-CD2 4.18Å; Q520-L524 WeakPolarHBondContact O-CD1 3.3Å; Q520-L524 WeakPolarHBondContact O-CG 3.48Å; L521-L524 HydrophobicContact CD2-CD1 4.29Å; L521-L524 WeakPolarHBondContact O-CB 3.18Å; L521-L524 PolarHBondContact O-N 3.21Å; L521-L524 VanDerWaalsContact O-N 3.15Å; V522-L524 VanDerWaalsContact C-N 3.28Å; V522-L524 PolarHBondContact O-N 3.29Å; L524-L526 VanDerWaalsContact C-N 3.28Å; L524-L526 PolarHBondContact O-N 3.41Å; L524-V527 PolarHBondContact O-N 3.49Å; L524-L528 WeakPolarHBondContact O-CG 3.4Å; L524-L528 PolarHBondContact O-N 3.3Å |
| 525 | I | 91.8 | Very high | 88.1 | Confident | 105 Ų | 105 | 43.8 Ų | 43.8 | 54% | 0.538 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.3 | -40 | 175 | -67 | 164.7 | 0 | 0 | 0 | 110.3 | L521 V522 L528 S529 | L521-I525 HydrophobicContact CB-CD1 4.33Å; L521-I525 VanDerWaalsContact O-CG1 3.31Å; L521-I525 WeakPolarHBondContact O-CG1 3.24Å; L521-I525 PolarHBondContact O-N 2.98Å; V522-I525 WeakPolarHBondContact O-CB 3.5Å; V522-I525 PolarHBondContact O-N 2.84Å; V522-I525 VanDerWaalsContact O-N 3.17Å; I525-L528 PolarHBondContact O-N 3.35Å; I525-S529 WeakPolarHBondContact O-CB 3.41Å; I525-S529 PolarHBondContact O-N 3.07Å |
| 526 | L | 91.6 | Very high | 87.7 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.2 | -42.5 | 176.4 | -65.6 | 177.3 | 0 | 0 | 0 | 111.9 | T458 L461 W462 V465 V522 P523 L524 S529 L530 | T458-L526 HydrophobicContact CG2-CD1 4.11Å; L461-L526 HydrophobicContact CB-CB 4.03Å; L461-L526 HydrophobicContact CB-CD1 4.01Å; W462-L526 HydrophobicContact CB-CD1 4Å; W462-L526 HydrophobicContact CE3-CD2 3.74Å; W462-L526 HydrophobicContact CZ3-CD2 4.23Å; V465-L526 HydrophobicContact CG2-CB 4.49Å; V465-L526 HydrophobicContact CG2-CD2 4.33Å; V522-L526 HydrophobicContact CG1-CD1 4.19Å; V522-L526 HydrophobicContact CG1-CG 4.39Å; V522-L526 WeakPolarHBondContact O-CG 3.35Å; V522-L526 PolarHBondContact O-N 2.76Å; P523-L526 PolarHBondContact O-N 2.9Å; L524-L526 VanDerWaalsContact C-N 3.28Å; L524-L526 PolarHBondContact O-N 3.41Å; L526-S529 WeakPolarHBondContact O-CB 3.47Å; L526-S529 PolarHBondContact O-N 3.37Å; L526-S529 PolarHBondContact O-OG 3.43Å; L526-L530 PolarHBondContact O-N 3.5Å; L526-L530 VanDerWaalsContact O-N 3.15Å |
| 527 | V | 91.5 | Very high | 87.4 | Confident | 32 Ų | 32 | 45 Ų | 45 | 19% | 0.194 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 173.5 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | L461 V498 P523 L524 S529 L530 N531 | L461-V527 HydrophobicContact CD1-CG2 3.76Å; L461-V527 HydrophobicContact CD2-CG2 3.78Å; L461-V527 HydrophobicContact CG-CG2 4.42Å; V498-V527 HydrophobicContact CG2-CG1 3.82Å; P523-V527 WeakPolarHBondContact O-CG2 3.35Å; P523-V527 PolarHBondContact O-N 2.83Å; L524-V527 PolarHBondContact O-N 3.49Å; V527-S529 VanDerWaalsContact C-N 3.29Å; V527-S529 PolarHBondContact O-N 2.86Å; V527-L530 PolarHBondContact O-N 3.49Å; V527-N531 WeakPolarHBondContact CG1-ND2 3.22Å; V527-N531 WeakPolarHBondContact O-CB 3.25Å; V527-N531 PolarHBondContact O-N 2.92Å |
| 528 | L | 89.7 | Confident | 86.9 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 22% | 0.22 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -38.3 | 175 | -69.8 | 173.5 | 0 | 0 | 0 | 111.4 | N495 V498 I499 L524 I525 L530 N531 Y532 | N495-L528 HydrophobicContact CB-CD2 4.3Å; V498-L528 HydrophobicContact CB-CD2 4.16Å; V498-L528 HydrophobicContact CB-CG 4.5Å; V498-L528 HydrophobicContact CG1-CD1 4.17Å; V498-L528 HydrophobicContact CG1-CD2 3.89Å; V498-L528 HydrophobicContact CG1-CG 3.68Å; I499-L528 HydrophobicContact CD1-CD2 4.4Å; I499-L528 HydrophobicContact CG1-CD1 4.14Å; I499-L528 HydrophobicContact CG1-CD2 4Å; L524-L528 WeakPolarHBondContact O-CG 3.4Å; L524-L528 PolarHBondContact O-N 3.3Å; I525-L528 PolarHBondContact O-N 3.35Å; L528-L530 PolarHBondContact O-N 3.01Å; L528-N531 PolarHBondContact O-N 3.43Å; L528-Y532 WeakPolarHBondContact O-CA 3.42Å; L528-Y532 WeakPolarHBondContact O-CB 3.28Å; L528-Y532 PolarHBondContact O-N 3.01Å |
| 529 | S | 86 | Confident | 86.3 | Confident | 50 Ų | 50 | 46.5 Ų | 46.5 | 35% | 0.35 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62 | -33.7 | 177.9 | 84.1 | 0 | 0 | 0 | 0 | 112.6 | I525 L526 V527 | I525-S529 WeakPolarHBondContact O-CB 3.41Å; I525-S529 PolarHBondContact O-N 3.07Å; L526-S529 WeakPolarHBondContact O-CB 3.47Å; L526-S529 PolarHBondContact O-N 3.37Å; L526-S529 PolarHBondContact O-OG 3.43Å; V527-S529 VanDerWaalsContact C-N 3.29Å; V527-S529 PolarHBondContact O-N 2.86Å |
| 530 | L | 85 | Confident | 85.9 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -76.8 | -39.5 | 175 | -69.2 | 172.7 | 0 | 0 | 0 | 112 | L464 V465 C468 L526 V527 L528 G536 R537 | L464-L530 HydrophobicContact CB-CD1 4.48Å; L464-L530 HydrophobicContact CD2-CD1 3.69Å; L464-L530 HydrophobicContact CG-CD1 3.97Å; V465-L530 HydrophobicContact CB-CD2 4.42Å; V465-L530 HydrophobicContact CG2-CD1 3.97Å; V465-L530 HydrophobicContact CG2-CD2 3.77Å; V465-L530 HydrophobicContact CG2-CG 3.71Å; C468-L530 HydrophobicContact CB-CD2 3.94Å; L526-L530 PolarHBondContact O-N 3.5Å; L526-L530 VanDerWaalsContact O-N 3.15Å; V527-L530 PolarHBondContact O-N 3.49Å; L528-L530 PolarHBondContact O-N 3.01Å; L530-G536 CarbonylContact O-C 3.51Å; L530-G536 WeakPolarHBondContact O-CA 3.47Å; L530-R537 PolarHBondContact O-N 3.37Å; L530-R537 VanDerWaalsContact O-N 3.17Å |
| 531 | N | 85.2 | Confident | 85.3 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.053 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -99.8 | -18.7 | -167.7 | -66.3 | -14 | 0 | 0 | 0 | 115 | W491 N495 V527 L528 R537 | W491-N531 HydrophobicContact CE3-CB 4.21Å; W491-N531 HydrophobicContact CZ3-CB 4.37Å; W491-N531 WeakPolarHBondContact CZ3-OD1 3.17Å; N495-N531 PolarHBondContact ND2-O 3.49Å; N495-N531 WeakPolarHBondContact OD1-CB 3.34Å; V527-N531 WeakPolarHBondContact CG1-ND2 3.22Å; V527-N531 WeakPolarHBondContact O-CB 3.25Å; V527-N531 PolarHBondContact O-N 2.92Å; L528-N531 PolarHBondContact O-N 3.43Å; N531-R537 PolarHBondContact O-NE 3.33Å; N531-R537 PolarHBondContact O-NH2 2.82Å |
| 532 | Y | 80.9 | Confident | 84.6 | Confident | 182 Ų | 182 | 47.2 Ų | 47.2 | 71% | 0.714 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -72.2 | -45.4 | -173.2 | -177.7 | -102.3 | 0 | 0 | 0 | 111.8 | L528 | L528-Y532 WeakPolarHBondContact O-CA 3.42Å; L528-Y532 WeakPolarHBondContact O-CB 3.28Å; L528-Y532 PolarHBondContact O-N 3.01Å |
| 533 | S | 81.1 | Confident | 84 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -86.8 | 143.3 | -179.6 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | T535 G536 R537 | S533-T535 PolarHBondContact O-N 2.65Å; S533-G536 PolarHBondContact O-N 3.2Å; S533-G536 VanDerWaalsContact O-N 3.12Å; S533-G536 PolarHBondContact OG-N 3.34Å; S533-R537 PolarHBondContact O-N 2.95Å; S533-R537 VanDerWaalsContact O-N 3.07Å |
| 534 | R | 77.1 | Confident | 83.4 | Confident | 172 Ų | 172 | 50.4 Ų | 50.4 | 65% | 0.649 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -56.4 | -37.1 | 172.5 | -173.6 | 177.8 | -180 | 175.9 | 0.1 | 111.1 | E483 R537 K538 | E483-R534 IonicContact OE1-CZ 3.77Å; E483-R534 VanDerWaalsContact OE1-CZ 3.27Å; E483-R534 IonicContact OE1-NE 3.88Å; E483-R534 PolarHBondContact OE1-NE 3.47Å; E483-R534 IonicContact OE1-NH2 3.72Å; E483-R534 PolarHBondContact OE1-NH2 3.27Å; E483-R534 IonicContact OE2-NH2 3.31Å; E483-R534 PolarHBondContact OE2-NH2 3.19Å; R534-R537 PolarHBondContact O-N 3.03Å; R534-K538 PolarHBondContact O-N 3.28Å |
| 535 | T | 76.1 | Confident | 82.5 | Confident | 76 Ų | 76 | 50.6 Ų | 50.6 | 47% | 0.466 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.6 | -46.4 | 176 | -42.6 | 0 | 0 | 0 | 0 | 111.7 | S533 R537 K538 Q539 | S533-T535 PolarHBondContact O-N 2.65Å; T535-R537 PolarHBondContact O-N 3.09Å; T535-K538 PolarHBondContact O-N 3.36Å; T535-Q539 VanDerWaalsContact O-CG 3.23Å; T535-Q539 WeakPolarHBondContact O-CG 3.46Å; T535-Q539 PolarHBondContact O-N 3.32Å |
| 536 | G | 78.4 | Confident | 81.6 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L530 S533 K538 Q539 L540 | L530-G536 CarbonylContact O-C 3.51Å; L530-G536 WeakPolarHBondContact O-CA 3.47Å; S533-G536 PolarHBondContact O-N 3.2Å; S533-G536 VanDerWaalsContact O-N 3.12Å; S533-G536 PolarHBondContact OG-N 3.34Å; G536-K538 PolarHBondContact O-N 2.64Å; G536-Q539 WeakPolarHBondContact O-CB 3.44Å; G536-Q539 PolarHBondContact O-N 2.96Å; G536-L540 PolarHBondContact O-N 3.39Å |
| 537 | R | 81.2 | Confident | 80.9 | Confident | 46 Ų | 46 | 53.2 Ų | 53.2 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 174.5 | -64.2 | 175.8 | -164.6 | 174.9 | 6 | 111.7 | W491 L530 N531 S533 R534 T535 Q539 L540 L541 | W491-R537 HydrophobicContact CD2-CG 3.96Å; W491-R537 HydrophobicContact CE3-CG 4.2Å; W491-R537 HydrophobicContact CG-CG 4.3Å; W491-R537 HydrophobicContact CZ2-CB 4.43Å; L530-R537 PolarHBondContact O-N 3.37Å; L530-R537 VanDerWaalsContact O-N 3.17Å; N531-R537 PolarHBondContact O-NE 3.33Å; N531-R537 PolarHBondContact O-NH2 2.82Å; S533-R537 PolarHBondContact O-N 2.95Å; S533-R537 VanDerWaalsContact O-N 3.07Å; R534-R537 PolarHBondContact O-N 3.03Å; T535-R537 PolarHBondContact O-N 3.09Å; R537-Q539 VanDerWaalsContact C-N 3.32Å; R537-Q539 PolarHBondContact O-N 3.49Å; R537-L540 PolarHBondContact O-N 3.24Å; R537-L541 WeakPolarHBondContact O-CB 3.36Å; R537-L541 WeakPolarHBondContact O-CG 3.36Å; R537-L541 PolarHBondContact O-N 3.46Å |
| 538 | K | 78.2 | Confident | 80 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 33% | 0.33 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 176.8 | -170.5 | -178 | 179.6 | -171.2 | 0 | 110.4 | V477 R534 T535 G536 L541 T542 | V477-K538 PolarHBondContact O-NZ 2.87Å; R534-K538 PolarHBondContact O-N 3.28Å; T535-K538 PolarHBondContact O-N 3.36Å; G536-K538 PolarHBondContact O-N 2.64Å; K538-L541 PolarHBondContact O-N 2.71Å; K538-T542 WeakPolarHBondContact O-CB 3.41Å; K538-T542 PolarHBondContact O-N 3.5Å; K538-T542 PolarHBondContact O-OG1 3.22Å |
| 539 | Q | 79.6 | Confident | 79.1 | Confident | 22 Ų | 22 | 61 Ų | 61 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 178.4 | -69.5 | 164.6 | 17.6 | 0 | 0 | 112.4 | C468 N472 T535 G536 R537 T542 L543 | C468-Q539 HydrophobicContact CB-CB 4.02Å; N472-Q539 HydrophobicContact CB-CG 3.58Å; N472-Q539 VanDerWaalsContact CB-NE2 3.29Å; N472-Q539 PolarHBondContact ND2-NE2 3.39Å; N472-Q539 WeakPolarHBondContact OD1-CG 3.48Å; N472-Q539 PolarHBondContact OD1-NE2 3.06Å; N472-Q539 VanDerWaalsContact OD1-NE2 3.1Å; T535-Q539 VanDerWaalsContact O-CG 3.23Å; T535-Q539 WeakPolarHBondContact O-CG 3.46Å; T535-Q539 PolarHBondContact O-N 3.32Å; G536-Q539 WeakPolarHBondContact O-CB 3.44Å; G536-Q539 PolarHBondContact O-N 2.96Å; R537-Q539 VanDerWaalsContact C-N 3.32Å; R537-Q539 PolarHBondContact O-N 3.49Å; Q539-T542 PolarHBondContact O-N 3.16Å; Q539-L543 WeakPolarHBondContact O-CB 3.14Å; Q539-L543 PolarHBondContact O-N 3.09Å |
| 540 | L | 83.5 | Confident | 78.1 | Confident | 18 Ų | 18 | 60.8 Ų | 60.8 | 9% | 0.094 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.9 | -45.6 | -179.9 | 179.6 | 59.6 | 0 | 0 | 0 | 111.4 | L464 W491 G536 R537 T542 L543 I544 | L464-L540 HydrophobicContact CD1-CD1 4.15Å; L464-L540 HydrophobicContact CD2-CD1 4.03Å; L464-L540 HydrophobicContact CG-CD1 4.28Å; W491-L540 HydrophobicContact CH2-CD2 3.96Å; W491-L540 HydrophobicContact CZ3-CD2 4.31Å; G536-L540 PolarHBondContact O-N 3.39Å; R537-L540 PolarHBondContact O-N 3.24Å; L540-T542 VanDerWaalsContact C-N 3.33Å; L540-T542 PolarHBondContact O-N 3.3Å; L540-L543 PolarHBondContact O-N 3.32Å; L540-I544 HydrophobicContact CD1-CD1 3.99Å; L540-I544 HydrophobicContact CD1-CG1 4.34Å; L540-I544 HydrophobicContact CG-CD1 3.91Å; L540-I544 VanDerWaalsContact O-CG1 3.25Å; L540-I544 WeakPolarHBondContact O-CG1 3.41Å; L540-I544 PolarHBondContact O-N 3.42Å |
| 541 | L | 80.7 | Confident | 77.2 | Confident | 34 Ų | 34 | 63.9 Ų | 63.9 | 18% | 0.178 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 177 | -70.8 | 172.7 | 0 | 0 | 0 | 112.7 | L486 W491 R537 K538 I544 S545 | L486-L541 HydrophobicContact CD1-CD1 4Å; L486-L541 HydrophobicContact CD1-CD2 3.39Å; L486-L541 HydrophobicContact CD1-CG 4.29Å; W491-L541 HydrophobicContact CZ2-CD1 4Å; W491-L541 HydrophobicContact CZ2-CD2 4.02Å; W491-L541 HydrophobicContact CZ2-CG 3.94Å; R537-L541 WeakPolarHBondContact O-CB 3.36Å; R537-L541 WeakPolarHBondContact O-CG 3.36Å; R537-L541 PolarHBondContact O-N 3.46Å; K538-L541 PolarHBondContact O-N 2.71Å; L541-I544 PolarHBondContact O-N 2.86Å; L541-S545 VanDerWaalsContact O-CB 3.26Å; L541-S545 WeakPolarHBondContact O-CB 3.43Å; L541-S545 PolarHBondContact O-N 3.42Å |
| 542 | T | 76.9 | Confident | 76.3 | Confident | 14 Ų | 14 | 69.2 Ų | 69.2 | 9% | 0.086 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.4 | -50 | 175 | -58.3 | 0 | 0 | 0 | 0 | 109.8 | K538 Q539 L540 I544 S545 Y546 | K538-T542 WeakPolarHBondContact O-CB 3.41Å; K538-T542 PolarHBondContact O-N 3.5Å; K538-T542 PolarHBondContact O-OG1 3.22Å; Q539-T542 PolarHBondContact O-N 3.16Å; L540-T542 VanDerWaalsContact C-N 3.33Å; L540-T542 PolarHBondContact O-N 3.3Å; T542-I544 PolarHBondContact O-N 3.41Å; T542-S545 PolarHBondContact O-N 3.47Å; T542-Y546 HydrophobicContact CG2-CD2 3.66Å; T542-Y546 HydrophobicContact CG2-CE2 3.41Å; T542-Y546 VanDerWaalsContact CG2-CE2 3.41Å; T542-Y546 WeakPolarHBondContact O-CD2 3.49Å; T542-Y546 PolarHBondContact O-N 3.16Å |
| 543 | L | 81.1 | Confident | 75.2 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.3 | -48.8 | 175.5 | 170.9 | 67.2 | 0 | 0 | 0 | 112.1 | L464 L467 C468 F471 Q539 L540 S545 Y546 I547 | L464-L543 HydrophobicContact CD1-CD2 3.45Å; L464-L543 VanDerWaalsContact CD1-CD2 3.45Å; L467-L543 HydrophobicContact CB-CD1 4.49Å; L467-L543 HydrophobicContact CB-CD2 4.14Å; C468-L543 VanDerWaalsContact SG-CD2 3.58Å; F471-L543 HydrophobicContact CD2-CB 4.14Å; F471-L543 HydrophobicContact CD2-CD1 3.44Å; F471-L543 VanDerWaalsContact CD2-CD1 3.44Å; F471-L543 HydrophobicContact CD2-CG 4.33Å; F471-L543 HydrophobicContact CE2-CB 4.5Å; F471-L543 HydrophobicContact CE2-CD1 3.11Å; F471-L543 HydrophobicContact CE2-CG 4.36Å; F471-L543 HydrophobicContact CZ-CD1 4.04Å; Q539-L543 WeakPolarHBondContact O-CB 3.14Å; Q539-L543 PolarHBondContact O-N 3.09Å; L540-L543 PolarHBondContact O-N 3.32Å; L543-S545 VanDerWaalsContact C-N 3.34Å; L543-S545 PolarHBondContact O-N 3.15Å; L543-Y546 PolarHBondContact O-N 3.2Å; L543-I547 HydrophobicContact CD1-CD1 3.74Å; L543-I547 HydrophobicContact CD1-CG1 4.17Å; L543-I547 HydrophobicContact CG-CD1 3.91Å; L543-I547 WeakPolarHBondContact O-CG1 3.37Å; L543-I547 PolarHBondContact O-N 2.87Å |
| 544 | I | 81.3 | Confident | 73.7 | Confident | 86 Ų | 86 | 65.7 Ų | 65.7 | 44% | 0.441 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 178.9 | -69.2 | 165.8 | 0 | 0 | 0 | 110.4 | L540 L541 T542 Y546 I547 W548 | L540-I544 HydrophobicContact CD1-CD1 3.99Å; L540-I544 HydrophobicContact CD1-CG1 4.34Å; L540-I544 HydrophobicContact CG-CD1 3.91Å; L540-I544 VanDerWaalsContact O-CG1 3.25Å; L540-I544 WeakPolarHBondContact O-CG1 3.41Å; L540-I544 PolarHBondContact O-N 3.42Å; L541-I544 PolarHBondContact O-N 2.86Å; T542-I544 PolarHBondContact O-N 3.41Å; I544-Y546 VanDerWaalsContact C-N 3.33Å; I544-Y546 PolarHBondContact O-N 3.28Å; I544-I547 PolarHBondContact O-N 3.49Å; I544-W548 VanDerWaalsContact O-CB 3.25Å; I544-W548 WeakPolarHBondContact O-CB 3.28Å; I544-W548 PolarHBondContact O-N 2.88Å |
| 545 | S | 75.7 | Confident | 72.4 | Confident | 27 Ų | 27 | 65 Ų | 65 | 19% | 0.189 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 177.8 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | L541 T542 L543 W548 N549 | L541-S545 VanDerWaalsContact O-CB 3.26Å; L541-S545 WeakPolarHBondContact O-CB 3.43Å; L541-S545 PolarHBondContact O-N 3.42Å; T542-S545 PolarHBondContact O-N 3.47Å; L543-S545 VanDerWaalsContact C-N 3.34Å; L543-S545 PolarHBondContact O-N 3.15Å; S545-W548 PolarHBondContact O-N 3.1Å; S545-N549 VanDerWaalsContact O-CB 3.23Å; S545-N549 WeakPolarHBondContact O-CB 3.39Å; S545-N549 PolarHBondContact O-N 3.19Å; S545-N549 PolarHBondContact O-ND2 2.9Å; S545-N549 PolarHBondContact OG-ND2 2.83Å |
| 546 | Y | 73.6 | Confident | 71.1 | Confident | 79 Ų | 79 | 64.3 Ų | 64.3 | 31% | 0.31 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 175 | -85.2 | -69 | 0 | 0 | 0 | 113 | F471 D475 T542 L543 I544 W548 G550 N804 | F471-Y546 AromaticContact CD1-CD2 3.9Å; F471-Y546 HydrophobicContact CD1-CD2 3.9Å; F471-Y546 HydrophobicContact CD1-CE2 4.14Å; F471-Y546 AromaticContact CE1-CD2 3.6Å; F471-Y546 HydrophobicContact CE1-CD2 3.6Å; F471-Y546 HydrophobicContact CE1-CE2 4.07Å; F471-Y546 AromaticContact CE1-CG 3.92Å; F471-Y546 HydrophobicContact CE1-CG 3.92Å; F471-Y546 HydrophobicContact CZ-CD2 4.44Å; F471-Y546 HydrophobicContact CZ-CG 4.47Å; D475-Y546 WeakPolarHBondContact OD2-CE2 3.22Å; D475-Y546 VanDerWaalsContact OD2-CZ 3.28Å; D475-Y546 PolarHBondContact OD2-OH 2.87Å; T542-Y546 HydrophobicContact CG2-CD2 3.66Å; T542-Y546 HydrophobicContact CG2-CE2 3.41Å; T542-Y546 VanDerWaalsContact CG2-CE2 3.41Å; T542-Y546 WeakPolarHBondContact O-CD2 3.49Å; T542-Y546 PolarHBondContact O-N 3.16Å; L543-Y546 PolarHBondContact O-N 3.2Å; I544-Y546 VanDerWaalsContact C-N 3.33Å; I544-Y546 PolarHBondContact O-N 3.28Å; Y546-W548 VanDerWaalsContact C-N 3.33Å; Y546-G550 WeakPolarHBondContact O-CA 3.35Å; Y546-G550 PolarHBondContact O-N 3.14Å; Y546-N804 PolarHBondContact OH-ND2 2.92Å |
| 547 | I | 76.5 | Confident | 69.8 | Low | 90 Ų | 90 | 66.6 Ų | 66.6 | 46% | 0.462 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 176.6 | -69.2 | 169 | 0 | 0 | 0 | 109.7 | L543 I544 G550 L551 | L543-I547 HydrophobicContact CD1-CD1 3.74Å; L543-I547 HydrophobicContact CD1-CG1 4.17Å; L543-I547 HydrophobicContact CG-CD1 3.91Å; L543-I547 WeakPolarHBondContact O-CG1 3.37Å; L543-I547 PolarHBondContact O-N 2.87Å; I544-I547 PolarHBondContact O-N 3.49Å; I547-G550 PolarHBondContact O-N 3.42Å; I547-L551 HydrophobicContact CG2-CD1 3.66Å; I547-L551 HydrophobicContact CG2-CG 4.49Å; I547-L551 WeakPolarHBondContact O-CB 3.48Å; I547-L551 WeakPolarHBondContact O-CG 3.12Å; I547-L551 PolarHBondContact O-N 2.94Å |
| 548 | W | 72.1 | Confident | 68.6 | Low | 151 Ų | 151 | 70.5 Ų | 70.5 | 57% | 0.572 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.5 | -50.7 | -179.7 | -172.7 | -92.1 | 0 | 0 | 0 | 111.9 | I544 S545 Y546 G550 L551 F552 | I544-W548 VanDerWaalsContact O-CB 3.25Å; I544-W548 WeakPolarHBondContact O-CB 3.28Å; I544-W548 PolarHBondContact O-N 2.88Å; S545-W548 PolarHBondContact O-N 3.1Å; Y546-W548 VanDerWaalsContact C-N 3.33Å; W548-G550 VanDerWaalsContact C-N 3.31Å; W548-G550 PolarHBondContact O-N 3.34Å; W548-L551 PolarHBondContact O-N 3.07Å; W548-F552 AromaticContact CD2-CD2 3.62Å; W548-F552 HydrophobicContact CD2-CD2 3.62Å; W548-F552 HydrophobicContact CD2-CE2 4.02Å; W548-F552 AromaticContact CE2-CD2 3.8Å; W548-F552 AromaticContact CE3-CD2 3.7Å; W548-F552 HydrophobicContact CE3-CD2 3.7Å; W548-F552 AromaticContact CE3-CE2 3.58Å; W548-F552 HydrophobicContact CE3-CE2 3.58Å; W548-F552 HydrophobicContact CG-CD2 4.15Å; W548-F552 HydrophobicContact CH2-CD2 4.13Å; W548-F552 AromaticContact CH2-CE2 3.89Å; W548-F552 HydrophobicContact CH2-CE2 3.89Å; W548-F552 HydrophobicContact CH2-CZ 4.38Å; W548-F552 HydrophobicContact CZ2-CD2 4.06Å; W548-F552 HydrophobicContact CZ2-CE2 4.3Å; W548-F552 AromaticContact CZ3-CD2 3.96Å; W548-F552 HydrophobicContact CZ3-CD2 3.96Å; W548-F552 AromaticContact CZ3-CE2 3.51Å; W548-F552 HydrophobicContact CZ3-CE2 3.51Å; W548-F552 HydrophobicContact CZ3-CZ 4.25Å; W548-F552 WeakPolarHBondContact O-CB 3.23Å; W548-F552 WeakPolarHBondContact O-CD2 3.13Å; W548-F552 PolarHBondContact O-N 3.12Å |
| 549 | N | 70.2 | Confident | 67.5 | Low | 87 Ų | 87 | 71.5 Ų | 71.5 | 47% | 0.465 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 177.7 | -67.3 | -18.3 | 0 | 0 | 0 | 111.1 | S545 A553 | S545-N549 VanDerWaalsContact O-CB 3.23Å; S545-N549 WeakPolarHBondContact O-CB 3.39Å; S545-N549 PolarHBondContact O-N 3.19Å; S545-N549 PolarHBondContact O-ND2 2.9Å; S545-N549 PolarHBondContact OG-ND2 2.83Å; N549-A553 WeakPolarHBondContact O-CA 3.39Å; N549-A553 WeakPolarHBondContact O-CB 3.39Å; N549-A553 PolarHBondContact O-N 3.11Å |
| 550 | G | 66.6 | Low | 67 | Low | 44 Ų | 44 | 72.4 Ų | 72.4 | 45% | 0.454 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y546 I547 W548 | Y546-G550 WeakPolarHBondContact O-CA 3.35Å; Y546-G550 PolarHBondContact O-N 3.14Å; I547-G550 PolarHBondContact O-N 3.42Å; W548-G550 VanDerWaalsContact C-N 3.31Å; W548-G550 PolarHBondContact O-N 3.34Å |
| 551 | L | 66.2 | Low | 66.5 | Low | 72 Ų | 72 | 73.7 Ų | 73.7 | 38% | 0.377 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -82.6 | -36.1 | -179.8 | -72.9 | 168.4 | 0 | 0 | 0 | 113.3 | I547 W548 W565 | I547-L551 HydrophobicContact CG2-CD1 3.66Å; I547-L551 HydrophobicContact CG2-CG 4.49Å; I547-L551 WeakPolarHBondContact O-CB 3.48Å; I547-L551 WeakPolarHBondContact O-CG 3.12Å; I547-L551 PolarHBondContact O-N 2.94Å; W548-L551 PolarHBondContact O-N 3.07Å; L551-W565 HydrophobicContact CD2-CZ2 4.39Å |
| 552 | F | 65.4 | Low | 66.4 | Low | 122 Ų | 122 | 80 Ų | 80 | 54% | 0.535 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -115.9 | 0.7 | -169.4 | -62.4 | -74.9 | 0 | 0 | 0 | 115.1 | W548 T554 | W548-F552 AromaticContact CD2-CD2 3.62Å; W548-F552 HydrophobicContact CD2-CD2 3.62Å; W548-F552 HydrophobicContact CD2-CE2 4.02Å; W548-F552 AromaticContact CE2-CD2 3.8Å; W548-F552 AromaticContact CE3-CD2 3.7Å; W548-F552 HydrophobicContact CE3-CD2 3.7Å; W548-F552 AromaticContact CE3-CE2 3.58Å; W548-F552 HydrophobicContact CE3-CE2 3.58Å; W548-F552 HydrophobicContact CG-CD2 4.15Å; W548-F552 HydrophobicContact CH2-CD2 4.13Å; W548-F552 AromaticContact CH2-CE2 3.89Å; W548-F552 HydrophobicContact CH2-CE2 3.89Å; W548-F552 HydrophobicContact CH2-CZ 4.38Å; W548-F552 HydrophobicContact CZ2-CD2 4.06Å; W548-F552 HydrophobicContact CZ2-CE2 4.3Å; W548-F552 AromaticContact CZ3-CD2 3.96Å; W548-F552 HydrophobicContact CZ3-CD2 3.96Å; W548-F552 AromaticContact CZ3-CE2 3.51Å; W548-F552 HydrophobicContact CZ3-CE2 3.51Å; W548-F552 HydrophobicContact CZ3-CZ 4.25Å; W548-F552 WeakPolarHBondContact O-CB 3.23Å; W548-F552 WeakPolarHBondContact O-CD2 3.13Å; W548-F552 PolarHBondContact O-N 3.12Å; F552-T554 PolarHBondContact O-N 3.39Å |
| 553 | A | 58.2 | Low | 66.4 | Low | 30 Ų | 30 | 81.8 Ų | 81.8 | 25% | 0.248 | 46% | 0.456 | C | S | . | . | trans | -63.9 | 105.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | N549 N555 | N549-A553 WeakPolarHBondContact O-CA 3.39Å; N549-A553 WeakPolarHBondContact O-CB 3.39Å; N549-A553 PolarHBondContact O-N 3.11Å; A553-N555 PolarHBondContact O-N 3.33Å | ||
| 554 | T | 49.6 | Very low | 66.3 | Low | 126 Ų | 126 | 83.6 Ų | 83.6 | 77% | 0.773 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -18.4 | 174.5 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | F552 C556 | F552-T554 PolarHBondContact O-N 3.39Å; T554-C556 VanDerWaalsContact C-N 3.32Å |
| 555 | N | 49.6 | Very low | 66.4 | Low | 158 Ų | 158 | 86.6 Ų | 86.6 | 85% | 0.845 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -8.9 | -178.1 | -71.5 | -8.4 | 0 | 0 | 0 | 113.8 | A553 | A553-N555 PolarHBondContact O-N 3.33Š|
| 556 | C | 47.8 | Very low | 67 | Low | 61 Ų | 61 | 86.6 Ų | 86.6 | 41% | 0.412 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -80.8 | 126.8 | 173 | -73.1 | 0 | 0 | 0 | 0 | 108.6 | T554 V558 S560 | T554-C556 VanDerWaalsContact C-N 3.32Å; C556-V558 PolarHBondContact O-N 2.78Å; C556-S560 WeakPolarHBondContact CB-OG 3.16Å |
| 557 | G | 51.4 | Low | 67.7 | Low | 50 Ų | 50 | 83 Ų | 83 | 52% | 0.515 | 46% | 0.459 | S | S | . | . | trans | -51.2 | 142.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S559 S560 | G557-S559 PolarHBondContact O-N 2.92Å; G557-S560 PolarHBondContact O-N 2.75Å; G557-S560 PolarHBondContact O-OG 2.8Å | ||
| 558 | V | 55.6 | Low | 68.2 | Low | 129 Ų | 129 | 81.3 Ų | 81.3 | 78% | 0.782 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -49 | -31.7 | -172.5 | -171.9 | 0 | 0 | 0 | 0 | 113 | C556 Y562 | C556-V558 PolarHBondContact O-N 2.78Å; V558-Y562 PolarHBondContact O-N 3.12Å |
| 559 | S | 56.4 | Low | 69.2 | Low | 97 Ų | 97 | 81 Ų | 81 | 68% | 0.678 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.2 | -39.4 | 176.9 | 77.5 | 0 | 0 | 0 | 0 | 113.2 | G557 Y562 T563 | G557-S559 PolarHBondContact O-N 2.92Å; S559-Y562 PolarHBondContact O-N 2.81Å; S559-T563 WeakPolarHBondContact O-CG2 3.32Å; S559-T563 PolarHBondContact O-N 3.17Å; S559-T563 VanDerWaalsContact O-N 3.08Å |
| 560 | S | 67.5 | Low | 70.4 | Confident | 41 Ų | 41 | 77.1 Ų | 77.1 | 29% | 0.287 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | -179.2 | 65.8 | 0 | 0 | 0 | 0 | 111.9 | C556 G557 Y562 T563 V564 | C556-S560 WeakPolarHBondContact CB-OG 3.16Å; G557-S560 PolarHBondContact O-N 2.75Å; G557-S560 PolarHBondContact O-OG 2.8Å; S560-Y562 PolarHBondContact O-N 2.99Å; S560-T563 PolarHBondContact O-N 3.25Å; S560-T563 PolarHBondContact O-OG1 3.09Å; S560-V564 WeakPolarHBondContact O-CG2 3.5Å; S560-V564 PolarHBondContact O-N 3.42Å; S560-V564 VanDerWaalsContact O-N 3.08Å |
| 561 | L | 73.2 | Confident | 71.7 | Confident | 45 Ų | 45 | 75.1 Ų | 75.1 | 24% | 0.236 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 175.4 | -70.2 | 173.9 | 0 | 0 | 0 | 110.7 | T563 V564 W565 | L561-T563 VanDerWaalsContact C-N 3.29Å; L561-T563 PolarHBondContact O-N 3.48Å; L561-V564 PolarHBondContact O-N 3.08Å; L561-V564 VanDerWaalsContact O-N 3.14Å; L561-W565 PolarHBondContact O-N 2.93Å |
| 562 | Y | 78.9 | Confident | 73.1 | Confident | 167 Ų | 167 | 76.5 Ų | 76.5 | 66% | 0.655 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -57.4 | -41.5 | 177.7 | -179.2 | -95.5 | 0 | 0 | 0 | 112.5 | V558 S559 S560 S566 | V558-Y562 PolarHBondContact O-N 3.12Å; S559-Y562 PolarHBondContact O-N 2.81Å; S560-Y562 PolarHBondContact O-N 2.99Å; Y562-S566 WeakPolarHBondContact CE1-OG 3.41Å; Y562-S566 VanDerWaalsContact O-CB 3.29Å; Y562-S566 WeakPolarHBondContact O-CB 3.33Å; Y562-S566 PolarHBondContact O-N 3.48Å; Y562-S566 PolarHBondContact O-OG 3.19Å |
| 563 | T | 77.2 | Confident | 74.6 | Confident | 50 Ų | 50 | 72.5 Ų | 72.5 | 31% | 0.307 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 176.2 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | S559 S560 L561 S566 I567 | S559-T563 WeakPolarHBondContact O-CG2 3.32Å; S559-T563 PolarHBondContact O-N 3.17Å; S559-T563 VanDerWaalsContact O-N 3.08Å; S560-T563 PolarHBondContact O-N 3.25Å; S560-T563 PolarHBondContact O-OG1 3.09Å; L561-T563 VanDerWaalsContact C-N 3.29Å; L561-T563 PolarHBondContact O-N 3.48Å; T563-S566 PolarHBondContact O-N 3.1Å; T563-I567 WeakPolarHBondContact O-CB 3.36Å; T563-I567 VanDerWaalsContact O-CG1 3.23Å; T563-I567 WeakPolarHBondContact O-CG1 3.47Å; T563-I567 PolarHBondContact O-N 3.42Å |
| 564 | V | 80.2 | Confident | 76.5 | Confident | 44 Ų | 44 | 71.1 Ų | 71.1 | 27% | 0.267 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.8 | -48 | 178 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | S560 L561 S566 I567 T568 L808 | S560-V564 WeakPolarHBondContact O-CG2 3.5Å; S560-V564 PolarHBondContact O-N 3.42Å; S560-V564 VanDerWaalsContact O-N 3.08Å; L561-V564 PolarHBondContact O-N 3.08Å; L561-V564 VanDerWaalsContact O-N 3.14Å; V564-S566 VanDerWaalsContact C-N 3.34Å; V564-S566 PolarHBondContact O-N 3.48Å; V564-I567 PolarHBondContact O-N 3.16Å; V564-T568 HydrophobicContact CG1-CG2 4.45Å; V564-T568 WeakPolarHBondContact O-CG2 3.2Å; V564-T568 PolarHBondContact O-N 3.46Å; V564-T568 PolarHBondContact O-OG1 3.39Å; V564-L808 HydrophobicContact CG2-CD1 4.4Å |
| 565 | W | 83.3 | Confident | 78.7 | Confident | 148 Ų | 148 | 65.9 Ų | 65.9 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.9 | -38.6 | 177.9 | -77.7 | 105.8 | 0 | 0 | 0 | 112.9 | L551 L561 T568 F569 | L551-W565 HydrophobicContact CD2-CZ2 4.39Å; L561-W565 PolarHBondContact O-N 2.93Å; W565-T568 WeakPolarHBondContact CA-OG1 3.27Å; W565-T568 PolarHBondContact O-OG1 3.34Å; W565-F569 VanDerWaalsContact O-CB 3.26Å; W565-F569 WeakPolarHBondContact O-CB 3.15Å; W565-F569 PolarHBondContact O-N 2.92Å |
| 566 | S | 86.8 | Confident | 80.9 | Confident | 28 Ų | 28 | 61.2 Ų | 61.2 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 177.1 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | Y562 T563 V564 A570 | Y562-S566 WeakPolarHBondContact CE1-OG 3.41Å; Y562-S566 VanDerWaalsContact O-CB 3.29Å; Y562-S566 WeakPolarHBondContact O-CB 3.33Å; Y562-S566 PolarHBondContact O-N 3.48Å; Y562-S566 PolarHBondContact O-OG 3.19Å; T563-S566 PolarHBondContact O-N 3.1Å; V564-S566 VanDerWaalsContact C-N 3.34Å; V564-S566 PolarHBondContact O-N 3.48Å; S566-A570 VanDerWaalsContact O-CB 3.24Å; S566-A570 WeakPolarHBondContact O-CB 3.01Å; S566-A570 PolarHBondContact O-N 3.19Å |
| 567 | I | 88.3 | Confident | 83.3 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 176.5 | -68.3 | 166.5 | 0 | 0 | 0 | 110.8 | T563 V564 A570 S571 W598 I601 D602 L808 | T563-I567 WeakPolarHBondContact O-CB 3.36Å; T563-I567 VanDerWaalsContact O-CG1 3.23Å; T563-I567 WeakPolarHBondContact O-CG1 3.47Å; T563-I567 PolarHBondContact O-N 3.42Å; V564-I567 PolarHBondContact O-N 3.16Å; I567-A570 PolarHBondContact O-N 3.25Å; I567-S571 VanDerWaalsContact O-CB 3.31Å; I567-S571 WeakPolarHBondContact O-CB 3.35Å; I567-S571 PolarHBondContact O-N 3.23Å; I567-S571 PolarHBondContact O-OG 3.17Å; I567-W598 HydrophobicContact CG2-CZ2 4.28Å; I567-I601 HydrophobicContact CG1-CG2 4.13Å; I567-D602 HydrophobicContact CD1-CB 3.92Å; I567-D602 HydrophobicContact CG1-CB 4.07Å; I567-L808 HydrophobicContact CD1-CD1 4.39Å |
| 568 | T | 88.2 | Confident | 85.4 | Confident | 53 Ų | 53 | 57.7 Ų | 57.7 | 33% | 0.325 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 179.8 | 54 | 0 | 0 | 0 | 0 | 111.2 | V564 W565 S571 I572 | V564-T568 HydrophobicContact CG1-CG2 4.45Å; V564-T568 WeakPolarHBondContact O-CG2 3.2Å; V564-T568 PolarHBondContact O-N 3.46Å; V564-T568 PolarHBondContact O-OG1 3.39Å; W565-T568 WeakPolarHBondContact CA-OG1 3.27Å; W565-T568 PolarHBondContact O-OG1 3.34Å; T568-S571 WeakPolarHBondContact O-CB 3.46Å; T568-S571 PolarHBondContact O-N 3.16Å; T568-I572 WeakPolarHBondContact O-CG1 3.19Å; T568-I572 PolarHBondContact O-N 2.9Å |
| 569 | F | 92.9 | Very high | 87.2 | Confident | 145 Ų | 145 | 51.7 Ų | 51.7 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59.3 | -50 | 175.6 | 180 | -102.2 | 0 | 0 | 0 | 111.7 | W565 S571 I572 C573 | W565-F569 VanDerWaalsContact O-CB 3.26Å; W565-F569 WeakPolarHBondContact O-CB 3.15Å; W565-F569 PolarHBondContact O-N 2.92Å; F569-S571 VanDerWaalsContact C-N 3.26Å; F569-S571 PolarHBondContact O-N 2.6Å; F569-I572 PolarHBondContact O-N 2.74Å; F569-C573 VanDerWaalsContact CZ-SG 3.58Å; F569-C573 PolarHBondContact O-N 3.04Å; F569-C573 PolarHBondContact O-SG 3.21Å; F569-C573 VanDerWaalsContact O-SG 3.36Å |
| 570 | A | 94.9 | Very high | 89.1 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.1 | -35.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | S566 I567 L574 W598 I601 | S566-A570 VanDerWaalsContact O-CB 3.24Å; S566-A570 WeakPolarHBondContact O-CB 3.01Å; S566-A570 PolarHBondContact O-N 3.19Å; I567-A570 PolarHBondContact O-N 3.25Å; A570-L574 VanDerWaalsContact O-CB 3.31Å; A570-L574 WeakPolarHBondContact O-CB 3.15Å; A570-L574 PolarHBondContact O-N 3.07Å; A570-W598 HydrophobicContact CB-CH2 4.38Å; A570-W598 HydrophobicContact CB-CZ3 3.95Å; A570-I601 HydrophobicContact CB-CD1 3.85Å; A570-I601 HydrophobicContact CB-CG2 4.02Å |
| 571 | S | 94.7 | Very high | 90.2 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.8 | -43 | 177.1 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | I567 T568 F569 L574 L575 F811 | I567-S571 VanDerWaalsContact O-CB 3.31Å; I567-S571 WeakPolarHBondContact O-CB 3.35Å; I567-S571 PolarHBondContact O-N 3.23Å; I567-S571 PolarHBondContact O-OG 3.17Å; T568-S571 WeakPolarHBondContact O-CB 3.46Å; T568-S571 PolarHBondContact O-N 3.16Å; F569-S571 VanDerWaalsContact C-N 3.26Å; F569-S571 PolarHBondContact O-N 2.6Å; S571-L574 PolarHBondContact O-N 3.03Å; S571-L575 WeakPolarHBondContact O-CG 3.47Å; S571-L575 PolarHBondContact O-N 2.96Å; S571-F811 WeakPolarHBondContact OG-CE1 3.13Å |
| 572 | I | 95.2 | Very high | 91.1 | Very high | 101 Ų | 101 | 48.9 Ų | 48.9 | 52% | 0.518 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.2 | -50.3 | 174.5 | -67.3 | 165.9 | 0 | 0 | 0 | 109.3 | T568 F569 L574 L575 E576 | T568-I572 WeakPolarHBondContact O-CG1 3.19Å; T568-I572 PolarHBondContact O-N 2.9Å; F569-I572 PolarHBondContact O-N 2.74Å; I572-L574 VanDerWaalsContact C-N 3.28Å; I572-L574 PolarHBondContact O-N 2.9Å; I572-L575 PolarHBondContact O-N 3.04Å; I572-E576 HydrophobicContact CG2-CG 4.28Å; I572-E576 WeakPolarHBondContact O-CG 3.25Å; I572-E576 PolarHBondContact O-N 3.1Å |
| 573 | C | 97.5 | Very high | 91.5 | Very high | 38 Ų | 38 | 45 Ų | 45 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -56.2 | -42.2 | 176.6 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | F569 E576 L577 L594 | F569-C573 VanDerWaalsContact CZ-SG 3.58Å; F569-C573 PolarHBondContact O-N 3.04Å; F569-C573 PolarHBondContact O-SG 3.21Å; F569-C573 VanDerWaalsContact O-SG 3.36Å; C573-E576 PolarHBondContact O-N 3.2Å; C573-L577 WeakPolarHBondContact O-CB 3.38Å; C573-L577 WeakPolarHBondContact O-CG 3.32Å; C573-L577 PolarHBondContact O-N 3.1Å; C573-L594 HydrophobicContact CB-CD2 3.9Å |
| 574 | L | 97.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.9 | -45 | 178.6 | -170.3 | 67.2 | 0 | 0 | 0 | 111.6 | A570 S571 I572 L577 L578 A591 L594 W598 L815 F819 | A570-L574 VanDerWaalsContact O-CB 3.31Å; A570-L574 WeakPolarHBondContact O-CB 3.15Å; A570-L574 PolarHBondContact O-N 3.07Å; S571-L574 PolarHBondContact O-N 3.03Å; I572-L574 VanDerWaalsContact C-N 3.28Å; I572-L574 PolarHBondContact O-N 2.9Å; L574-L577 PolarHBondContact O-N 3.18Å; L574-L578 HydrophobicContact CG-CD1 4.41Å; L574-L578 VanDerWaalsContact O-CG 3.22Å; L574-L578 WeakPolarHBondContact O-CG 3.38Å; L574-L578 PolarHBondContact O-N 2.85Å; L574-A591 HydrophobicContact CD1-CB 3.86Å; L574-L594 HydrophobicContact CB-CD2 4.11Å; L574-L594 HydrophobicContact CD1-CD2 4.33Å; L574-W598 HydrophobicContact CD2-CZ3 4.46Å; L574-L815 HydrophobicContact CD2-CD1 4.18Å; L574-L815 HydrophobicContact CD2-CD2 4.02Å; L574-L815 HydrophobicContact CD2-CG 3.94Å; L574-F819 HydrophobicContact CD1-CD2 3.81Å; L574-F819 HydrophobicContact CD1-CE2 4.19Å; L574-F819 HydrophobicContact CD2-CB 4.22Å; L574-F819 HydrophobicContact CD2-CD2 4.37Å; L574-F819 HydrophobicContact CD2-CG 4.41Å; L574-F819 HydrophobicContact CG-CD2 4.31Å |
| 575 | L | 95.9 | Very high | 92.6 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 9% | 0.089 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 177.1 | -71.5 | 168.2 | 0 | 0 | 0 | 111.8 | S571 I572 L578 I579 L815 L912 I916 | S571-L575 WeakPolarHBondContact O-CG 3.47Å; S571-L575 PolarHBondContact O-N 2.96Å; I572-L575 PolarHBondContact O-N 3.04Å; L575-L578 WeakPolarHBondContact O-CB 3.39Å; L575-L578 PolarHBondContact O-N 3.17Å; L575-I579 VanDerWaalsContact O-CG1 3.3Å; L575-I579 WeakPolarHBondContact O-CG1 3.4Å; L575-I579 PolarHBondContact O-N 2.68Å; L575-L815 HydrophobicContact CD1-CD1 4.39Å; L575-L815 HydrophobicContact CD2-CD1 3.8Å; L575-L815 HydrophobicContact CG-CD1 3.86Å; L575-L912 HydrophobicContact CD1-CD2 3.94Å; L575-I916 HydrophobicContact CD2-CD1 4.21Å; L575-I916 HydrophobicContact CD2-CG1 4.47Å |
| 576 | E | 96.6 | Very high | 93.1 | Very high | 60 Ų | 60 | 46.4 Ų | 46.4 | 28% | 0.28 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.3 | -46.4 | 175.6 | -71.4 | -56.7 | 141.9 | 0 | 0 | 111.4 | I572 C573 L578 I579 W580 H919 | I572-E576 HydrophobicContact CG2-CG 4.28Å; I572-E576 WeakPolarHBondContact O-CG 3.25Å; I572-E576 PolarHBondContact O-N 3.1Å; C573-E576 PolarHBondContact O-N 3.2Å; E576-L578 PolarHBondContact O-N 2.84Å; E576-I579 PolarHBondContact O-N 2.97Å; E576-I579 VanDerWaalsContact O-N 3.16Å; E576-W580 WeakPolarHBondContact O-CB 3.41Å; E576-W580 PolarHBondContact O-N 2.99Å; E576-H919 IonicContact OE1-NE2 2.86Å |
| 577 | L | 97.4 | Very high | 93.5 | Very high | 36 Ų | 36 | 46.2 Ų | 46.2 | 19% | 0.188 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.9 | -34.2 | 176.4 | -71.9 | 169.6 | 0 | 0 | 0 | 112.4 | C573 L574 G581 L587 L590 A591 L594 | C573-L577 WeakPolarHBondContact O-CB 3.38Å; C573-L577 WeakPolarHBondContact O-CG 3.32Å; C573-L577 PolarHBondContact O-N 3.1Å; L574-L577 PolarHBondContact O-N 3.18Å; L577-G581 WeakPolarHBondContact O-CA 3.44Å; L577-G581 PolarHBondContact O-N 2.74Å; L577-L587 HydrophobicContact CD2-CB 4.35Å; L577-L587 HydrophobicContact CD2-CD2 4.39Å; L577-L590 HydrophobicContact CD1-CB 4.26Å; L577-L590 HydrophobicContact CD2-CB 4.1Å; L577-L590 HydrophobicContact CD2-CD1 4.38Å; L577-A591 HydrophobicContact CB-CB 3.93Å; L577-A591 HydrophobicContact CD1-CB 4.35Å; L577-L594 HydrophobicContact CD1-CD2 4.28Å |
| 578 | L | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.2 | -46.4 | 173.9 | -70.6 | 169 | 0 | 0 | 0 | 111.5 | L574 L575 E576 G581 F582 L588 I818 F819 I822 | L574-L578 HydrophobicContact CG-CD1 4.41Å; L574-L578 VanDerWaalsContact O-CG 3.22Å; L574-L578 WeakPolarHBondContact O-CG 3.38Å; L574-L578 PolarHBondContact O-N 2.85Å; L575-L578 WeakPolarHBondContact O-CB 3.39Å; L575-L578 PolarHBondContact O-N 3.17Å; E576-L578 PolarHBondContact O-N 2.84Å; L578-G581 PolarHBondContact O-N 2.92Å; L578-F582 VanDerWaalsContact O-CD2 3.27Å; L578-F582 WeakPolarHBondContact O-CD2 3.03Å; L578-F582 PolarHBondContact O-N 3.34Å; L578-L588 HydrophobicContact CD2-CD2 3.9Å; L578-I818 HydrophobicContact CD1-CG2 4.43Å; L578-F819 HydrophobicContact CD1-CB 4.12Å; L578-F819 HydrophobicContact CD1-CD2 4.37Å; L578-F819 HydrophobicContact CD2-CD2 3.91Å; L578-F819 HydrophobicContact CG-CD2 4.45Å; L578-I822 HydrophobicContact CB-CD1 4.07Å; L578-I822 HydrophobicContact CD1-CD1 4.18Å; L578-I822 HydrophobicContact CD2-CB 4.06Å; L578-I822 HydrophobicContact CD2-CD1 4.22Å; L578-I822 HydrophobicContact CD2-CG2 3.9Å; L578-I822 HydrophobicContact CG-CD1 4.39Å |
| 579 | I | 94.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -54.2 | 178 | -71.2 | 162.7 | 0 | 0 | 0 | 110.4 | L575 E576 G581 F582 I916 H919 F920 W923 | L575-I579 VanDerWaalsContact O-CG1 3.3Å; L575-I579 WeakPolarHBondContact O-CG1 3.4Å; L575-I579 PolarHBondContact O-N 2.68Å; E576-I579 PolarHBondContact O-N 2.97Å; E576-I579 VanDerWaalsContact O-N 3.16Å; I579-G581 PolarHBondContact O-N 3.23Å; I579-F582 WeakPolarHBondContact O-CB 3.48Å; I579-F582 PolarHBondContact O-N 3.47Å; I579-I916 HydrophobicContact CD1-CG1 4.36Å; I579-I916 HydrophobicContact CG1-CG1 4.22Å; I579-I916 HydrophobicContact CG1-CG2 4.1Å; I579-H919 HydrophobicContact CD1-CB 4.28Å; I579-H919 HydrophobicContact CG2-CB 4.39Å; I579-F920 HydrophobicContact CG2-CE1 3.93Å; I579-F920 HydrophobicContact CG2-CZ 4.39Å; I579-W923 HydrophobicContact CG2-CE3 4.48Å; I579-W923 HydrophobicContact CG2-CH2 3.98Å; I579-W923 HydrophobicContact CG2-CZ3 3.54Å |
| 580 | W | 94.3 | Very high | 94.5 | Very high | 113 Ų | 113 | 41 Ų | 41 | 43% | 0.428 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.3 | -25 | 177.9 | -73.3 | 94.9 | 0 | 0 | 0 | 112.5 | E576 F582 F583 H584 L587 W923 | E576-W580 WeakPolarHBondContact O-CB 3.41Å; E576-W580 PolarHBondContact O-N 2.99Å; W580-F582 PolarHBondContact O-N 2.98Å; W580-F583 PolarHBondContact O-N 2.92Å; W580-H584 PolarHBondContact O-N 3.02Å; W580-L587 HydrophobicContact CB-CD1 3.43Å; W580-L587 VanDerWaalsContact CB-CD1 3.43Å; W580-L587 HydrophobicContact CG-CD1 4.47Å; W580-W923 HydrophobicContact CD2-CH2 4.31Å; W580-W923 AromaticContact CE2-CH2 3.72Å; W580-W923 HydrophobicContact CH2-CH2 4.24Å; W580-W923 AromaticContact CZ2-CH2 3.69Å; W580-W923 HydrophobicContact CZ2-CH2 3.69Å; W580-W923 HydrophobicContact CZ2-CZ2 4.02Å; W580-W923 AromaticContact NE1-CH2 3.97Å |
| 581 | G | 92.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.2 | -25.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L577 L578 I579 F583 H584 | L577-G581 WeakPolarHBondContact O-CA 3.44Å; L577-G581 PolarHBondContact O-N 2.74Å; L578-G581 PolarHBondContact O-N 2.92Å; I579-G581 PolarHBondContact O-N 3.23Å; G581-F583 VanDerWaalsContact C-N 3.31Å; G581-H584 CarbonylContact O-C 3.33Å |
| 582 | F | 90.4 | Very high | 94.8 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 5% | 0.053 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -31.1 | 172.2 | -80.3 | -98.7 | 0 | 0 | 0 | 113 | L578 I579 W580 I822 F826 F920 H939 I942 | L578-F582 VanDerWaalsContact O-CD2 3.27Å; L578-F582 WeakPolarHBondContact O-CD2 3.03Å; L578-F582 PolarHBondContact O-N 3.34Å; I579-F582 WeakPolarHBondContact O-CB 3.48Å; I579-F582 PolarHBondContact O-N 3.47Å; W580-F582 PolarHBondContact O-N 2.98Å; F582-I822 HydrophobicContact CE2-CD1 4.2Å; F582-I822 HydrophobicContact CE2-CG1 4.45Å; F582-I822 HydrophobicContact CE2-CG2 4.02Å; F582-I822 HydrophobicContact CZ-CG2 4.33Å; F582-F826 HydrophobicContact CB-CZ 4.39Å; F582-F826 HydrophobicContact CD1-CE2 4Å; F582-F826 AromaticContact CD1-CZ 3.65Å; F582-F826 HydrophobicContact CD1-CZ 3.65Å; F582-F826 HydrophobicContact CD2-CE2 4.21Å; F582-F826 HydrophobicContact CD2-CZ 4.42Å; F582-F826 AromaticContact CE1-CE2 3.93Å; F582-F826 HydrophobicContact CE1-CE2 3.93Å; F582-F826 AromaticContact CE1-CZ 3.95Å; F582-F826 HydrophobicContact CE1-CZ 3.95Å; F582-F826 HydrophobicContact CE2-CE2 4.14Å; F582-F826 HydrophobicContact CG-CE2 4.14Å; F582-F826 AromaticContact CG-CZ 3.9Å; F582-F826 HydrophobicContact CG-CZ 3.9Å; F582-F826 HydrophobicContact CZ-CE2 4Å; F582-F826 HydrophobicContact CZ-CZ 4.47Å; F582-F920 HydrophobicContact CB-CE1 4.48Å; F582-F920 HydrophobicContact CB-CZ 4.05Å; F582-F920 HydrophobicContact CD1-CZ 4.36Å; F582-F920 HydrophobicContact CD2-CE2 4.16Å; F582-F920 AromaticContact CD2-CZ 3.58Å; F582-F920 HydrophobicContact CD2-CZ 3.58Å; F582-F920 HydrophobicContact CE2-CE2 4.23Å; F582-F920 HydrophobicContact CE2-CZ 4.08Å; F582-F920 HydrophobicContact CG-CE2 4.36Å; F582-F920 AromaticContact CG-CZ 3.74Å; F582-F920 HydrophobicContact CG-CZ 3.74Å; F582-F920 HydrophobicContact CZ-CE2 4.49Å; F582-H939 AromaticContact CD1-CD2 3.6Å; F582-I942 HydrophobicContact CE1-CB 4.42Å; F582-I942 HydrophobicContact CE1-CD1 4.2Å; F582-I942 HydrophobicContact CE1-CG2 3.89Å; F582-I942 HydrophobicContact CZ-CG2 3.91Å |
| 583 | F | 88.7 | Confident | 94.9 | Very high | 86 Ų | 86 | 39.4 Ų | 39.4 | 38% | 0.377 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -37.5 | 176.5 | -59.5 | -84.1 | 0 | 0 | 0 | 111.6 | W580 G581 F920 W923 | W580-F583 PolarHBondContact O-N 2.92Å; G581-F583 VanDerWaalsContact C-N 3.31Å; F583-F920 HydrophobicContact CE2-CD1 4.5Å; F583-F920 AromaticContact CE2-CE1 3.95Å; F583-F920 HydrophobicContact CE2-CE1 3.95Å; F583-F920 HydrophobicContact CZ-CE1 4.47Å; F583-W923 HydrophobicContact CD2-CZ3 4.37Å; F583-W923 AromaticContact CE2-CE3 3.59Å; F583-W923 HydrophobicContact CE2-CE3 3.59Å; F583-W923 AromaticContact CE2-CZ3 3.6Å; F583-W923 HydrophobicContact CE2-CZ3 3.6Å; F583-W923 AromaticContact CZ-CE3 3.83Å; F583-W923 HydrophobicContact CZ-CE3 3.83Å; F583-W923 HydrophobicContact CZ-CZ3 4.3Å |
| 584 | H | 91.2 | Very high | 94.9 | Very high | 87 Ų | 87 | 39.3 Ų | 39.3 | 40% | 0.403 | 18% | 0.179 | S | C | . | . | trans | -132.7 | 94.5 | -173.8 | -61.5 | -45.9 | 0 | 0 | 0 | 111.3 | W580 G581 Y586 L587 | W580-H584 PolarHBondContact O-N 3.02Å; G581-H584 CarbonylContact O-C 3.33Å; H584-Y586 HydrophobicContact CB-CD1 4.12Å; H584-Y586 HydrophobicContact CB-CE1 3.65Å; H584-Y586 PolarHBondContact O-N 3.19Å; H584-L587 HydrophobicContact CB-CD1 3.83Å; H584-L587 HydrophobicContact CB-CG 4.04Å; H584-L587 WeakPolarHBondContact O-CB 3.1Å; H584-L587 PolarHBondContact O-N 3.23Å | ||
| 585 | R | 89.3 | Confident | 94.9 | Very high | 58 Ų | 58 | 39.4 Ų | 39.4 | 22% | 0.219 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -32.9 | -173.2 | -69.5 | 178.1 | 72.4 | -135 | 4.4 | 114.5 | L587 L588 P627 L629 A631 F826 | R585-L587 PolarHBondContact O-N 3.4Å; R585-L588 VanDerWaalsContact O-CB 3.28Å; R585-L588 WeakPolarHBondContact O-CB 3.09Å; R585-L588 PolarHBondContact O-N 3.08Å; R585-L588 VanDerWaalsContact O-N 3.07Å; R585-P627 VanDerWaalsContact O-CB 3.25Å; R585-P627 WeakPolarHBondContact O-CB 3.33Å; R585-L629 PolarHBondContact NH1-O 3.26Å; R585-A631 VanDerWaalsContact NH1-N 3.15Å; R585-F826 HydrophobicContact CG-CD1 4.42Å |
| 586 | Y | 92.9 | Very high | 95 | Very high | 126 Ų | 126 | 38.7 Ų | 38.7 | 49% | 0.494 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.3 | -21.8 | 179.4 | 70.7 | -95.1 | 0 | 0 | 0 | 113.4 | H584 L588 S589 | H584-Y586 HydrophobicContact CB-CD1 4.12Å; H584-Y586 HydrophobicContact CB-CE1 3.65Å; H584-Y586 PolarHBondContact O-N 3.19Å; Y586-L588 PolarHBondContact O-N 3.45Å; Y586-S589 VanDerWaalsContact O-CB 3.23Å; Y586-S589 WeakPolarHBondContact O-CB 3.42Å; Y586-S589 PolarHBondContact O-N 3.4Å |
| 587 | L | 96.1 | Very high | 95 | Very high | 24 Ų | 24 | 40.1 Ų | 40.1 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.2 | -24.9 | 175 | -62.8 | 177.2 | 0 | 0 | 0 | 112.1 | L577 W580 H584 R585 S589 L590 A591 | L577-L587 HydrophobicContact CD2-CB 4.35Å; L577-L587 HydrophobicContact CD2-CD2 4.39Å; W580-L587 HydrophobicContact CB-CD1 3.43Å; W580-L587 VanDerWaalsContact CB-CD1 3.43Å; W580-L587 HydrophobicContact CG-CD1 4.47Å; H584-L587 HydrophobicContact CB-CD1 3.83Å; H584-L587 HydrophobicContact CB-CG 4.04Å; H584-L587 WeakPolarHBondContact O-CB 3.1Å; H584-L587 PolarHBondContact O-N 3.23Å; R585-L587 PolarHBondContact O-N 3.4Å; L587-S589 PolarHBondContact O-N 2.91Å; L587-L590 HydrophobicContact CD2-CD1 3.82Å; L587-L590 WeakPolarHBondContact O-CB 3.48Å; L587-L590 PolarHBondContact O-N 3.44Å; L587-L590 VanDerWaalsContact O-N 3.16Å; L587-A591 PolarHBondContact O-N 3.22Å |
| 588 | L | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.4 | -28.9 | 170.9 | -60 | 175.6 | 0 | 0 | 0 | 111.6 | L578 R585 Y586 A591 C592 P627 I822 I823 F826 | L578-L588 HydrophobicContact CD2-CD2 3.9Å; R585-L588 VanDerWaalsContact O-CB 3.28Å; R585-L588 WeakPolarHBondContact O-CB 3.09Å; R585-L588 PolarHBondContact O-N 3.08Å; R585-L588 VanDerWaalsContact O-N 3.07Å; Y586-L588 PolarHBondContact O-N 3.45Å; L588-A591 WeakPolarHBondContact O-CB 3.09Å; L588-A591 PolarHBondContact O-N 3.07Å; L588-C592 PolarHBondContact O-N 3.42Å; L588-C592 PolarHBondContact O-SG 3.21Å; L588-P627 HydrophobicContact CB-CB 3.89Å; L588-P627 HydrophobicContact CB-CG 3.9Å; L588-I822 HydrophobicContact CD2-CG2 4.32Å; L588-I823 HydrophobicContact CB-CD1 3.87Å; L588-I823 HydrophobicContact CD2-CD1 4.32Å; L588-I823 HydrophobicContact CG-CD1 4.47Å; L588-F826 HydrophobicContact CD1-CB 3.91Å; L588-F826 HydrophobicContact CD1-CD1 4.26Å; L588-F826 HydrophobicContact CD1-CD2 3.51Å; L588-F826 HydrophobicContact CD1-CE2 4.1Å; L588-F826 HydrophobicContact CD1-CG 3.62Å |
| 589 | S | 96.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 172 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | Y586 L587 A591 C592 L593 A624 P627 L628 | Y586-S589 VanDerWaalsContact O-CB 3.23Å; Y586-S589 WeakPolarHBondContact O-CB 3.42Å; Y586-S589 PolarHBondContact O-N 3.4Å; L587-S589 PolarHBondContact O-N 2.91Å; S589-A591 VanDerWaalsContact C-N 3.31Å; S589-A591 PolarHBondContact O-N 3.11Å; S589-C592 WeakPolarHBondContact O-CB 3.31Å; S589-C592 PolarHBondContact O-N 3.42Å; S589-L593 WeakPolarHBondContact O-CG 3.21Å; S589-L593 PolarHBondContact O-N 3Å; S589-A624 WeakPolarHBondContact CB-O 3.05Å; S589-A624 PolarHBondContact OG-O 3.17Å; S589-P627 WeakPolarHBondContact OG-CB 3.43Å; S589-L628 WeakPolarHBondContact OG-CD2 3.36Å; S589-L628 WeakPolarHBondContact OG-CG 3.33Å |
| 590 | L | 97.5 | Very high | 94.7 | Very high | 84 Ų | 84 | 44 Ų | 44 | 44% | 0.44 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.5 | -38.8 | 172.6 | -63.1 | 178.3 | 0 | 0 | 0 | 111.2 | L577 L587 C592 L593 L594 | L577-L590 HydrophobicContact CD1-CB 4.26Å; L577-L590 HydrophobicContact CD2-CB 4.1Å; L577-L590 HydrophobicContact CD2-CD1 4.38Å; L587-L590 HydrophobicContact CD2-CD1 3.82Å; L587-L590 WeakPolarHBondContact O-CB 3.48Å; L587-L590 PolarHBondContact O-N 3.44Å; L587-L590 VanDerWaalsContact O-N 3.16Å; L590-C592 VanDerWaalsContact C-N 3.34Å; L590-C592 PolarHBondContact O-N 2.88Å; L590-L593 HydrophobicContact CD2-CD1 4.42Å; L590-L593 PolarHBondContact O-N 3.21Å; L590-L594 PolarHBondContact O-N 3.24Å |
| 591 | A | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L574 L577 L587 L588 S589 L593 L594 F595 F819 | L574-A591 HydrophobicContact CD1-CB 3.86Å; L577-A591 HydrophobicContact CB-CB 3.93Å; L577-A591 HydrophobicContact CD1-CB 4.35Å; L587-A591 PolarHBondContact O-N 3.22Å; L588-A591 WeakPolarHBondContact O-CB 3.09Å; L588-A591 PolarHBondContact O-N 3.07Å; S589-A591 VanDerWaalsContact C-N 3.31Å; S589-A591 PolarHBondContact O-N 3.11Å; A591-L593 VanDerWaalsContact C-N 3.34Å; A591-L593 PolarHBondContact O-N 3.49Å; A591-L594 PolarHBondContact O-N 3.44Å; A591-F595 VanDerWaalsContact O-CB 3.29Å; A591-F595 WeakPolarHBondContact O-CB 3.44Å; A591-F595 PolarHBondContact O-N 3.25Å; A591-F819 HydrophobicContact CB-CD2 4.34Å; A591-F819 HydrophobicContact CB-CE2 3.83Å |
| 592 | C | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.6 | -37.3 | 174.4 | -69.4 | 0 | 0 | 0 | 0 | 113.1 | L588 S589 L590 F595 A596 A624 F819 | L588-C592 PolarHBondContact O-N 3.42Å; L588-C592 PolarHBondContact O-SG 3.21Å; S589-C592 WeakPolarHBondContact O-CB 3.31Å; S589-C592 PolarHBondContact O-N 3.42Å; L590-C592 VanDerWaalsContact C-N 3.34Å; L590-C592 PolarHBondContact O-N 2.88Å; C592-F595 WeakPolarHBondContact O-CB 3.46Å; C592-F595 PolarHBondContact O-N 3.04Å; C592-A596 WeakPolarHBondContact O-CB 3.21Å; C592-A596 PolarHBondContact O-N 2.89Å; C592-A624 HydrophobicContact CB-CB 3.58Å; C592-F819 HydrophobicContact CB-CZ 4.42Å |
| 593 | L | 97.9 | Very high | 94.1 | Very high | 76 Ų | 76 | 46.8 Ų | 46.8 | 40% | 0.398 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.8 | -41.8 | 176.3 | -66.1 | 176.2 | 0 | 0 | 0 | 112 | S589 L590 A591 F595 A596 L597 A624 | S589-L593 WeakPolarHBondContact O-CG 3.21Å; S589-L593 PolarHBondContact O-N 3Å; L590-L593 HydrophobicContact CD2-CD1 4.42Å; L590-L593 PolarHBondContact O-N 3.21Å; A591-L593 VanDerWaalsContact C-N 3.34Å; A591-L593 PolarHBondContact O-N 3.49Å; L593-F595 VanDerWaalsContact C-N 3.3Å; L593-F595 PolarHBondContact O-N 3.32Å; L593-A596 VanDerWaalsContact O-CB 3.31Å; L593-A596 WeakPolarHBondContact O-CB 3.39Å; L593-A596 PolarHBondContact O-N 3.34Å; L593-L597 WeakPolarHBondContact O-CG 3.32Å; L593-L597 PolarHBondContact O-N 3.28Å; L593-A624 HydrophobicContact CD2-CB 4.21Å; L593-A624 HydrophobicContact CG-CB 4.28Å |
| 594 | L | 97.5 | Very high | 93.8 | Very high | 36 Ų | 36 | 46.2 Ų | 46.2 | 19% | 0.188 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 173.1 | -179.9 | 60.2 | 0 | 0 | 0 | 111 | C573 L574 L577 L590 A591 A596 L597 W598 I601 | C573-L594 HydrophobicContact CB-CD2 3.9Å; L574-L594 HydrophobicContact CB-CD2 4.11Å; L574-L594 HydrophobicContact CD1-CD2 4.33Å; L577-L594 HydrophobicContact CD1-CD2 4.28Å; L590-L594 PolarHBondContact O-N 3.24Å; A591-L594 PolarHBondContact O-N 3.44Å; L594-A596 VanDerWaalsContact C-N 3.32Å; L594-A596 PolarHBondContact O-N 3.31Å; L594-L597 PolarHBondContact O-N 3.34Å; L594-L597 VanDerWaalsContact O-N 3.11Å; L594-W598 PolarHBondContact O-N 3.19Å; L594-I601 HydrophobicContact CD1-CD1 3.99Å |
| 595 | F | 97.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -37.5 | 174.2 | -168.8 | -108.5 | 0 | 0 | 0 | 112.5 | A591 C592 L593 L597 W598 W616 V758 F816 F819 L820 | A591-F595 VanDerWaalsContact O-CB 3.29Å; A591-F595 WeakPolarHBondContact O-CB 3.44Å; A591-F595 PolarHBondContact O-N 3.25Å; C592-F595 WeakPolarHBondContact O-CB 3.46Å; C592-F595 PolarHBondContact O-N 3.04Å; L593-F595 VanDerWaalsContact C-N 3.3Å; L593-F595 PolarHBondContact O-N 3.32Å; F595-L597 PolarHBondContact O-N 2.96Å; F595-W598 VanDerWaalsContact O-CB 3.31Å; F595-W598 WeakPolarHBondContact O-CB 3.26Å; F595-W598 PolarHBondContact O-N 3.05Å; F595-W616 HydrophobicContact CD1-CH2 4.06Å; F595-W616 AromaticContact CD1-CZ2 3.71Å; F595-W616 HydrophobicContact CD1-CZ2 3.71Å; F595-W616 AromaticContact CE1-CH2 3.21Å; F595-W616 HydrophobicContact CE1-CH2 3.21Å; F595-W616 AromaticContact CE1-CZ2 3.35Å; F595-W616 HydrophobicContact CE1-CZ2 3.35Å; F595-W616 HydrophobicContact CE1-CZ3 4.24Å; F595-W616 HydrophobicContact CE2-CH2 4.44Å; F595-W616 HydrophobicContact CE2-CZ2 4.41Å; F595-W616 HydrophobicContact CG-CZ2 4.37Å; F595-W616 AromaticContact CZ-CH2 3.46Å; F595-W616 HydrophobicContact CZ-CH2 3.46Å; F595-W616 VanDerWaalsContact CZ-CH2 3.46Å; F595-W616 AromaticContact CZ-CZ2 3.75Å; F595-W616 HydrophobicContact CZ-CZ2 3.75Å; F595-W616 PolarHBondContact O-NE1 2.75Å; F595-V758 HydrophobicContact CE1-CG1 3.93Å; F595-F816 HydrophobicContact CD2-CD1 4.22Å; F595-F816 AromaticContact CD2-CE1 3.96Å; F595-F816 HydrophobicContact CD2-CE1 3.96Å; F595-F816 HydrophobicContact CD2-CZ 4.13Å; F595-F816 HydrophobicContact CE2-CB 4.14Å; F595-F816 AromaticContact CE2-CD1 3.45Å; F595-F816 HydrophobicContact CE2-CD1 3.45Å; F595-F816 VanDerWaalsContact CE2-CD1 3.45Å; F595-F816 AromaticContact CE2-CD2 3.55Å; F595-F816 HydrophobicContact CE2-CD2 3.55Å; F595-F816 AromaticContact CE2-CE1 3.49Å; F595-F816 HydrophobicContact CE2-CE1 3.49Å; F595-F816 VanDerWaalsContact CE2-CE1 3.49Å; F595-F816 AromaticContact CE2-CE2 3.62Å; F595-F816 HydrophobicContact CE2-CE2 3.62Å; F595-F816 AromaticContact CE2-CG 3.46Å; F595-F816 HydrophobicContact CE2-CG 3.46Å; F595-F816 VanDerWaalsContact CE2-CG 3.46Å; F595-F816 AromaticContact CE2-CZ 3.57Å; F595-F816 HydrophobicContact CE2-CZ 3.57Å; F595-F816 HydrophobicContact CZ-CB 4.43Å; F595-F816 HydrophobicContact CZ-CD1 4.37Å; F595-F816 AromaticContact CZ-CD2 3.64Å; F595-F816 HydrophobicContact CZ-CD2 3.64Å; F595-F816 HydrophobicContact CZ-CE1 4.47Å; F595-F816 AromaticContact CZ-CE2 3.81Å; F595-F816 HydrophobicContact CZ-CE2 3.81Å; F595-F816 AromaticContact CZ-CG 3.94Å; F595-F816 HydrophobicContact CZ-CG 3.94Å; F595-F816 HydrophobicContact CZ-CZ 4.2Å; F595-F819 HydrophobicContact CB-CE1 3.99Å; F595-F819 HydrophobicContact CB-CE2 4.32Å; F595-F819 HydrophobicContact CB-CZ 3.85Å; F595-F819 HydrophobicContact CD1-CD1 4.09Å; F595-F819 AromaticContact CD1-CE1 3.44Å; F595-F819 HydrophobicContact CD1-CE1 3.44Å; F595-F819 VanDerWaalsContact CD1-CE1 3.44Å; F595-F819 HydrophobicContact CD1-CZ 4.05Å; F595-F819 AromaticContact CD2-CD1 3.65Å; F595-F819 HydrophobicContact CD2-CD1 3.65Å; F595-F819 AromaticContact CD2-CE1 3.77Å; F595-F819 HydrophobicContact CD2-CE1 3.77Å; F595-F819 HydrophobicContact CD2-CG 4.2Å; F595-F819 HydrophobicContact CD2-CZ 4.39Å; F595-F819 HydrophobicContact CE1-CD1 4.09Å; F595-F819 AromaticContact CE1-CE1 3.7Å; F595-F819 HydrophobicContact CE1-CE1 3.7Å; F595-F819 AromaticContact CE2-CD1 3.62Å; F595-F819 HydrophobicContact CE2-CD1 3.62Å; F595-F819 AromaticContact CE2-CE1 3.99Å; F595-F819 HydrophobicContact CE2-CE1 3.99Å; F595-F819 HydrophobicContact CE2-CG 4.37Å; F595-F819 AromaticContact CG-CD1 3.88Å; F595-F819 HydrophobicContact CG-CD1 3.88Å; F595-F819 AromaticContact CG-CE1 3.47Å; F595-F819 HydrophobicContact CG-CE1 3.47Å; F595-F819 VanDerWaalsContact CG-CE1 3.47Å; F595-F819 AromaticContact CG-CZ 3.87Å; F595-F819 HydrophobicContact CG-CZ 3.87Å; F595-F819 AromaticContact CZ-CD1 3.85Å; F595-F819 HydrophobicContact CZ-CD1 3.85Å; F595-F819 AromaticContact CZ-CE1 3.97Å; F595-F819 HydrophobicContact CZ-CE1 3.97Å; F595-L820 HydrophobicContact CE1-CD2 4.5Å |
| 596 | A | 97.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.4 | -37.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | C592 L593 L594 W598 P599 W616 H617 C620 | C592-A596 WeakPolarHBondContact O-CB 3.21Å; C592-A596 PolarHBondContact O-N 2.89Å; L593-A596 VanDerWaalsContact O-CB 3.31Å; L593-A596 WeakPolarHBondContact O-CB 3.39Å; L593-A596 PolarHBondContact O-N 3.34Å; L594-A596 VanDerWaalsContact C-N 3.32Å; L594-A596 PolarHBondContact O-N 3.31Å; A596-W598 VanDerWaalsContact C-N 3.31Å; A596-W598 PolarHBondContact O-N 2.7Å; A596-P599 WeakPolarHBondContact O-CD 3.34Å; A596-W616 PolarHBondContact O-NE1 3.24Å; A596-H617 PolarHBondContact O-CE1 3.13Å; A596-H617 PolarHBondContact O-ND1 2.98Å; A596-C620 HydrophobicContact CB-CB 3.5Å; A596-C620 VanDerWaalsContact CB-CB 3.5Å |
| 597 | L | 96.4 | Very high | 93.5 | Very high | 89 Ų | 89 | 40 Ų | 40 | 47% | 0.466 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -5 | -178.8 | -63.4 | 175.1 | 0 | 0 | 0 | 114.3 | L593 L594 F595 P599 Y600 | L593-L597 WeakPolarHBondContact O-CG 3.32Å; L593-L597 PolarHBondContact O-N 3.28Å; L594-L597 PolarHBondContact O-N 3.34Å; L594-L597 VanDerWaalsContact O-N 3.11Å; F595-L597 PolarHBondContact O-N 2.96Å; L597-P599 VanDerWaalsContact C-CD 3.42Å; L597-Y600 HydrophobicContact CD2-CD2 4.11Å; L597-Y600 HydrophobicContact CD2-CE2 4.29Å; L597-Y600 WeakPolarHBondContact O-CB 3.3Å; L597-Y600 PolarHBondContact O-N 3.43Å |
| 598 | W | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.2 | -39.9 | -175.1 | -158.5 | -84.5 | 0 | 0 | 0 | 115.7 | I567 A570 L574 L594 F595 A596 Y600 I601 D602 R812 L815 F816 | I567-W598 HydrophobicContact CG2-CZ2 4.28Å; A570-W598 HydrophobicContact CB-CH2 4.38Å; A570-W598 HydrophobicContact CB-CZ3 3.95Å; L574-W598 HydrophobicContact CD2-CZ3 4.46Å; L594-W598 PolarHBondContact O-N 3.19Å; F595-W598 VanDerWaalsContact O-CB 3.31Å; F595-W598 WeakPolarHBondContact O-CB 3.26Å; F595-W598 PolarHBondContact O-N 3.05Å; A596-W598 VanDerWaalsContact C-N 3.31Å; A596-W598 PolarHBondContact O-N 2.7Å; W598-Y600 PolarHBondContact O-N 2.82Å; W598-I601 PolarHBondContact O-N 3.49Å; W598-D602 PolarHBondContact O-N 2.82Å; W598-R812 HydrophobicContact CZ2-CG 4.32Å; W598-R812 VanDerWaalsContact NE1-CD 3.29Å; W598-L815 HydrophobicContact CH2-CD2 3.55Å; W598-L815 HydrophobicContact CZ2-CD2 4.21Å; W598-L815 HydrophobicContact CZ3-CD2 4.17Å; W598-F816 HydrophobicContact CB-CZ 4.03Å; W598-F816 AromaticContact CD1-CE1 3.96Å; W598-F816 AromaticContact CD1-CZ 3.42Å; W598-F816 VanDerWaalsContact CD1-CZ 3.42Å; W598-F816 AromaticContact CD2-CE1 3.59Å; W598-F816 HydrophobicContact CD2-CE1 3.59Å; W598-F816 AromaticContact CD2-CZ 3.76Å; W598-F816 HydrophobicContact CD2-CZ 3.76Å; W598-F816 AromaticContact CE2-CE1 3.57Å; W598-F816 AromaticContact CE2-CZ 3.89Å; W598-F816 HydrophobicContact CE3-CE1 4.12Å; W598-F816 AromaticContact CG-CE1 3.82Å; W598-F816 HydrophobicContact CG-CE1 3.82Å; W598-F816 AromaticContact CG-CZ 3.44Å; W598-F816 HydrophobicContact CG-CZ 3.44Å; W598-F816 VanDerWaalsContact CG-CZ 3.44Å; W598-F816 HydrophobicContact CZ2-CE1 4.07Å; W598-F816 AromaticContact NE1-CE1 3.81Å; W598-F816 AromaticContact NE1-CZ 3.68Å |
| 599 | P | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.6 | -16 | 176.6 | -25.1 | 34.8 | 0 | 0 | 0 | 115.5 | A596 L597 F605 R606 L613 W616 | A596-P599 WeakPolarHBondContact O-CD 3.34Å; L597-P599 VanDerWaalsContact C-CD 3.42Å; P599-F605 HydrophobicContact CG-CD1 3.97Å; P599-F605 HydrophobicContact CG-CE1 4.28Å; P599-R606 HydrophobicContact CB-CB 4.49Å; P599-R606 HydrophobicContact CB-CG 4.44Å; P599-L613 HydrophobicContact CB-CD1 3.66Å; P599-L613 HydrophobicContact CG-CD1 3.91Å; P599-W616 HydrophobicContact CG-CG 4.33Å |
| 600 | Y | 92.3 | Very high | 92.4 | Very high | 120 Ų | 120 | 58.1 Ų | 58.1 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -93.7 | -23 | 174.6 | -56.6 | -65.9 | 0 | 0 | 0 | 113 | L597 W598 H617 | L597-Y600 HydrophobicContact CD2-CD2 4.11Å; L597-Y600 HydrophobicContact CD2-CE2 4.29Å; L597-Y600 WeakPolarHBondContact O-CB 3.3Å; L597-Y600 PolarHBondContact O-N 3.43Å; W598-Y600 PolarHBondContact O-N 2.82Å; Y600-H617 AromaticContact CD2-CE1 3.93Å; Y600-H617 AromaticContact CE2-CE1 3.14Å; Y600-H617 WeakPolarHBondContact CE2-CE1 3.13Å; Y600-H617 AromaticContact CE2-NE2 3.17Å; Y600-H617 WeakPolarHBondContact CE2-NE2 3.26Å; Y600-H617 AromaticContact CZ-CE1 3.8Å; Y600-H617 AromaticContact CZ-NE2 3.31Å; Y600-H617 VanDerWaalsContact CZ-NE2 3.31Å; Y600-H617 PolarHBondContact OH-NE2 3.21Å |
| 601 | I | 90.5 | Very high | 92.3 | Very high | 34 Ų | 34 | 60 Ų | 60 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -82.9 | -41.4 | 178.2 | -59 | 170.1 | 0 | 0 | 0 | 109.5 | I567 A570 L594 W598 | I567-I601 HydrophobicContact CG1-CG2 4.13Å; A570-I601 HydrophobicContact CB-CD1 3.85Å; A570-I601 HydrophobicContact CB-CG2 4.02Å; L594-I601 HydrophobicContact CD1-CD1 3.99Å; W598-I601 PolarHBondContact O-N 3.49Å |
| 602 | D | 88.4 | Confident | 92.1 | Very high | 9 Ų | 9 | 60.9 Ų | 60.9 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | trans | -122.6 | 99.1 | -179.7 | -179 | 1.5 | 0 | 0 | 0 | 110.1 | I567 W598 S604 F605 R812 | I567-D602 HydrophobicContact CD1-CB 3.92Å; I567-D602 HydrophobicContact CG1-CB 4.07Å; W598-D602 PolarHBondContact O-N 2.82Å; D602-S604 VanDerWaalsContact CG-OG 3.29Å; D602-S604 PolarHBondContact O-N 3.28Å; D602-S604 VanDerWaalsContact O-N 3.12Å; D602-S604 VanDerWaalsContact OD1-CB 3.3Å; D602-S604 WeakPolarHBondContact OD1-CB 3.48Å; D602-S604 PolarHBondContact OD1-N 3.44Å; D602-S604 PolarHBondContact OD1-OG 3.35Å; D602-S604 PolarHBondContact OD2-OG 3.37Å; D602-F605 PolarHBondContact O-N 3.42Å; D602-R812 IonicContact OD1-NH1 2.86Å; D602-R812 WeakPolarHBondContact OD2-CD 3.35Å; D602-R812 IonicContact OD2-CZ 2.69Å; D602-R812 IonicContact OD2-NE 2.72Å; D602-R812 IonicContact OD2-NH1 3.27Å; D602-R812 PolarHBondContact OD2-NH1 3.39Å | ||
| 603 | E | 84.1 | Confident | 92 | Very high | 142 Ų | 142 | 61.6 Ų | 61.6 | 66% | 0.664 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -59.2 | -24.7 | 179.4 | -64.2 | -165.9 | 151.9 | 0 | 0 | 112.7 | F605 R606 | E603-F605 PolarHBondContact O-N 2.88Å; E603-R606 VanDerWaalsContact O-CB 3.23Å; E603-R606 WeakPolarHBondContact O-CB 3.41Å; E603-R606 PolarHBondContact O-N 3.13Å |
| 604 | S | 82.7 | Confident | 91.9 | Very high | 73 Ų | 73 | 65.1 Ų | 65.1 | 51% | 0.51 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -71.5 | -12.7 | 177.8 | 79 | 0 | 0 | 0 | 0 | 113.4 | D602 R812 | D602-S604 VanDerWaalsContact CG-OG 3.29Å; D602-S604 PolarHBondContact O-N 3.28Å; D602-S604 VanDerWaalsContact O-N 3.12Å; D602-S604 VanDerWaalsContact OD1-CB 3.3Å; D602-S604 WeakPolarHBondContact OD1-CB 3.48Å; D602-S604 PolarHBondContact OD1-N 3.44Å; D602-S604 PolarHBondContact OD1-OG 3.35Å; D602-S604 PolarHBondContact OD2-OG 3.37Å; S604-R812 PolarHBondContact OG-NH1 3.01Å |
| 605 | F | 89.6 | Confident | 91.9 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -97.3 | -0.6 | 170.6 | -166.8 | -112.8 | 0 | 0 | 0 | 112.6 | P599 D602 E603 P607 W616 W762 I765 E766 F816 | P599-F605 HydrophobicContact CG-CD1 3.97Å; P599-F605 HydrophobicContact CG-CE1 4.28Å; D602-F605 PolarHBondContact O-N 3.42Å; E603-F605 PolarHBondContact O-N 2.88Å; F605-P607 VanDerWaalsContact O-CD 3.31Å; F605-P607 WeakPolarHBondContact O-CD 3.24Å; F605-W616 HydrophobicContact CE1-CD2 4.22Å; F605-W616 AromaticContact CE1-CE2 3.83Å; F605-W616 HydrophobicContact CE1-CE3 4.38Å; F605-W616 AromaticContact CE1-CH2 3.72Å; F605-W616 HydrophobicContact CE1-CH2 3.72Å; F605-W616 AromaticContact CE1-CZ2 3.57Å; F605-W616 HydrophobicContact CE1-CZ2 3.57Å; F605-W616 HydrophobicContact CE1-CZ3 4.15Å; F605-W616 HydrophobicContact CZ-CE3 4.45Å; F605-W616 AromaticContact CZ-CH2 3.72Å; F605-W616 HydrophobicContact CZ-CH2 3.72Å; F605-W616 HydrophobicContact CZ-CZ2 4.08Å; F605-W616 AromaticContact CZ-CZ3 3.95Å; F605-W616 HydrophobicContact CZ-CZ3 3.95Å; F605-W762 AromaticContact CE2-CD1 3.83Å; F605-I765 HydrophobicContact CD2-CG2 3.65Å; F605-I765 HydrophobicContact CE1-CD1 4.02Å; F605-I765 HydrophobicContact CE1-CG2 4.42Å; F605-I765 HydrophobicContact CE2-CB 3.9Å; F605-I765 HydrophobicContact CE2-CD1 4.46Å; F605-I765 HydrophobicContact CE2-CG2 3.47Å; F605-I765 VanDerWaalsContact CE2-CG2 3.47Å; F605-I765 HydrophobicContact CG-CG2 4.21Å; F605-I765 HydrophobicContact CZ-CB 4.08Å; F605-I765 HydrophobicContact CZ-CD1 3.78Å; F605-I765 HydrophobicContact CZ-CG2 3.88Å; F605-I765 VanDerWaalsContact O-CG2 3.27Å; F605-I765 WeakPolarHBondContact O-CG2 3.29Å; F605-E766 WeakPolarHBondContact CD2-OE1 3.28Å; F605-E766 HydrophobicContact CE2-CG 4.16Å; F605-F816 HydrophobicContact CD1-CE2 4.28Å; F605-F816 HydrophobicContact CD1-CZ 4.45Å; F605-F816 HydrophobicContact CD2-CE2 4.38Å; F605-F816 AromaticContact CE1-CE2 3.88Å; F605-F816 HydrophobicContact CE1-CE2 3.88Å; F605-F816 HydrophobicContact CE1-CZ 4.38Å; F605-F816 AromaticContact CE2-CE2 3.97Å; F605-F816 HydrophobicContact CE2-CE2 3.97Å; F605-F816 AromaticContact CZ-CE2 3.71Å; F605-F816 HydrophobicContact CZ-CE2 3.71Å |
| 606 | R | 89.5 | Confident | 91.9 | Very high | 120 Ų | 120 | 66.8 Ų | 66.8 | 45% | 0.453 | 31% | 0.314 | S | S | . | . | trans | -79 | 118.8 | -174.3 | -167.5 | 174.1 | -179.6 | 177.7 | 2.3 | 111.1 | P599 E603 | P599-R606 HydrophobicContact CB-CB 4.49Å; P599-R606 HydrophobicContact CB-CG 4.44Å; E603-R606 VanDerWaalsContact O-CB 3.23Å; E603-R606 WeakPolarHBondContact O-CB 3.41Å; E603-R606 PolarHBondContact O-N 3.13Å | ||
| 607 | P | 88.5 | Confident | 91.9 | Very high | 21 Ų | 21 | 68 Ų | 68 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | trans | -69.4 | 141.7 | 175.6 | 28.3 | -33.9 | 0 | 0 | 0 | 111.1 | F605 E609 I612 L613 I765 | F605-P607 VanDerWaalsContact O-CD 3.31Å; F605-P607 WeakPolarHBondContact O-CD 3.24Å; P607-E609 VanDerWaalsContact C-N 3.27Å; P607-E609 PolarHBondContact O-N 3.34Å; P607-I612 HydrophobicContact CB-CB 4.08Å; P607-I612 HydrophobicContact CB-CG2 3.84Å; P607-I612 HydrophobicContact CG-CB 4.27Å; P607-I612 HydrophobicContact CG-CG2 4.01Å; P607-L613 HydrophobicContact CG-CB 3.93Å; P607-L613 HydrophobicContact CG-CD1 4.26Å; P607-I765 HydrophobicContact CB-CG1 4.3Å; P607-I765 HydrophobicContact CG-CD1 4.36Å | ||
| 608 | H | 84.3 | Confident | 92 | Very high | 171 Ų | 171 | 68.1 Ų | 68.1 | 79% | 0.792 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -65.7 | -30.5 | 173.9 | -64.7 | -62.6 | 0 | 0 | 0 | 112.7 | ||
| 609 | E | 88.2 | Confident | 92.1 | Very high | 82 Ų | 82 | 68.7 Ų | 68.7 | 38% | 0.383 | 33% | 0.328 | S | S | . | . | trans | -83.7 | 116.6 | -178.8 | -70.9 | 171.3 | 172.1 | 0 | 0 | 110.7 | P607 L611 I612 L613 Y764 K768 | P607-E609 VanDerWaalsContact C-N 3.27Å; P607-E609 PolarHBondContact O-N 3.34Å; E609-L611 PolarHBondContact O-N 3.21Å; E609-I612 HydrophobicContact CB-CB 4.23Å; E609-I612 HydrophobicContact CB-CG1 3.8Å; E609-I612 PolarHBondContact O-N 2.63Å; E609-I612 VanDerWaalsContact O-N 3.1Å; E609-I612 WeakPolarHBondContact OE2-CG1 3.39Å; E609-L613 PolarHBondContact O-N 3.49Å; E609-Y764 PolarHBondContact OE2-OH 3.4Å; E609-K768 IonicContact OE1-NZ 3.95Å; E609-K768 PolarHBondContact OE1-NZ 3.04Å; E609-K768 IonicContact OE2-NZ 3.65Å; E609-K768 PolarHBondContact OE2-NZ 3Å | ||
| 610 | K | 92.3 | Very high | 92.3 | Very high | 159 Ų | 159 | 68.7 Ų | 68.7 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -56.1 | -37.2 | 177.4 | -66.7 | -174.4 | -180 | -179.5 | 0 | 112.4 | I612 L613 Y614 | K610-I612 VanDerWaalsContact C-N 3.33Å; K610-I612 PolarHBondContact O-N 2.76Å; K610-L613 WeakPolarHBondContact O-CB 3.28Å; K610-L613 PolarHBondContact O-N 2.95Å; K610-Y614 HydrophobicContact CB-CD2 4.35Å; K610-Y614 HydrophobicContact CB-CE2 4.03Å; K610-Y614 WeakPolarHBondContact O-CD2 3.45Å; K610-Y614 PolarHBondContact O-N 3.27Å |
| 611 | L | 95.2 | Very high | 92.5 | Very high | 122 Ų | 122 | 65.8 Ų | 65.8 | 64% | 0.639 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.7 | -44.1 | 177.9 | 179.9 | 62.6 | 0 | 0 | 0 | 112 | E609 L613 Y614 L615 | E609-L611 PolarHBondContact O-N 3.21Å; L611-L613 VanDerWaalsContact C-N 3.33Å; L611-Y614 PolarHBondContact O-N 3.04Å; L611-L615 HydrophobicContact CD1-CD1 4.4Å; L611-L615 HydrophobicContact CD1-CG 4.43Å; L611-L615 HydrophobicContact CG-CD1 4.15Å; L611-L615 WeakPolarHBondContact O-CB 3.31Å; L611-L615 WeakPolarHBondContact O-CG 3.22Å; L611-L615 PolarHBondContact O-N 3.34Å |
| 612 | I | 93.9 | Very high | 92.9 | Very high | 19 Ų | 19 | 65 Ų | 65 | 10% | 0.097 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 179.5 | -59 | -65.6 | 0 | 0 | 0 | 110.6 | P607 E609 K610 L615 W616 L761 Y764 I765 | P607-I612 HydrophobicContact CB-CB 4.08Å; P607-I612 HydrophobicContact CB-CG2 3.84Å; P607-I612 HydrophobicContact CG-CB 4.27Å; P607-I612 HydrophobicContact CG-CG2 4.01Å; E609-I612 HydrophobicContact CB-CB 4.23Å; E609-I612 HydrophobicContact CB-CG1 3.8Å; E609-I612 PolarHBondContact O-N 2.63Å; E609-I612 VanDerWaalsContact O-N 3.1Å; E609-I612 WeakPolarHBondContact OE2-CG1 3.39Å; K610-I612 VanDerWaalsContact C-N 3.33Å; K610-I612 PolarHBondContact O-N 2.76Å; I612-L615 PolarHBondContact O-N 3.09Å; I612-W616 WeakPolarHBondContact O-CB 3.23Å; I612-W616 PolarHBondContact O-N 2.8Å; I612-L761 HydrophobicContact CG2-CD2 4.3Å; I612-Y764 HydrophobicContact CD1-CD1 4.18Å; I612-Y764 HydrophobicContact CD1-CE1 3.74Å; I612-Y764 HydrophobicContact CG1-CD1 4.47Å; I612-Y764 HydrophobicContact CG1-CE1 3.86Å; I612-Y764 HydrophobicContact CG2-CD1 4.23Å; I612-Y764 HydrophobicContact CG2-CE1 4.38Å; I612-I765 HydrophobicContact CG2-CD1 4.17Å; I612-I765 HydrophobicContact CG2-CG1 3.92Å |
| 613 | L | 95.3 | Very high | 93.3 | Very high | 16 Ų | 16 | 64.6 Ų | 64.6 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 173.7 | -173.7 | 61.2 | 0 | 0 | 0 | 111.8 | P599 P607 E609 K610 L611 W616 H617 | P599-L613 HydrophobicContact CB-CD1 3.66Å; P599-L613 HydrophobicContact CG-CD1 3.91Å; P607-L613 HydrophobicContact CG-CB 3.93Å; P607-L613 HydrophobicContact CG-CD1 4.26Å; E609-L613 PolarHBondContact O-N 3.49Å; K610-L613 WeakPolarHBondContact O-CB 3.28Å; K610-L613 PolarHBondContact O-N 2.95Å; L611-L613 VanDerWaalsContact C-N 3.33Å; L613-W616 WeakPolarHBondContact O-CB 3.23Å; L613-W616 PolarHBondContact O-N 2.92Å; L613-H617 WeakPolarHBondContact CD1-NE2 3.29Å; L613-H617 PolarHBondContact O-CD2 3.02Å; L613-H617 PolarHBondContact O-N 3.45Å; L613-H617 VanDerWaalsContact O-N 3.07Å |
| 614 | Y | 97.1 | Very high | 93.9 | Very high | 149 Ų | 149 | 58.2 Ų | 58.2 | 58% | 0.584 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.3 | -40.9 | 176.4 | -70.8 | -59.8 | 0 | 0 | 0 | 112.2 | K610 L611 W616 H617 T618 | K610-Y614 HydrophobicContact CB-CD2 4.35Å; K610-Y614 HydrophobicContact CB-CE2 4.03Å; K610-Y614 WeakPolarHBondContact O-CD2 3.45Å; K610-Y614 PolarHBondContact O-N 3.27Å; L611-Y614 PolarHBondContact O-N 3.04Å; Y614-W616 VanDerWaalsContact C-N 3.34Å; Y614-H617 PolarHBondContact O-N 3.38Å; Y614-T618 WeakPolarHBondContact O-CB 3.43Å; Y614-T618 WeakPolarHBondContact O-CG2 3.47Å; Y614-T618 PolarHBondContact O-N 3.12Å; Y614-T618 PolarHBondContact O-OG1 3.05Å |
| 615 | L | 97.3 | Very high | 94.5 | Very high | 73 Ų | 73 | 59.4 Ų | 59.4 | 38% | 0.382 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 175.1 | -72.6 | 173.4 | 0 | 0 | 0 | 111.9 | L611 I612 T618 S619 L761 | L611-L615 HydrophobicContact CD1-CD1 4.4Å; L611-L615 HydrophobicContact CD1-CG 4.43Å; L611-L615 HydrophobicContact CG-CD1 4.15Å; L611-L615 WeakPolarHBondContact O-CB 3.31Å; L611-L615 WeakPolarHBondContact O-CG 3.22Å; L611-L615 PolarHBondContact O-N 3.34Å; I612-L615 PolarHBondContact O-N 3.09Å; L615-T618 WeakPolarHBondContact CA-OG1 3.27Å; L615-T618 PolarHBondContact O-OG1 2.66Å; L615-S619 WeakPolarHBondContact O-CB 3.21Å; L615-S619 PolarHBondContact O-N 3.22Å; L615-S619 PolarHBondContact O-OG 2.85Å; L615-L761 HydrophobicContact CB-CD1 4.06Å; L615-L761 HydrophobicContact CB-CD2 4.22Å |
| 616 | W | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.3 | -54.1 | 173.5 | 177.1 | -96.5 | 0 | 0 | 0 | 111.3 | F595 A596 P599 F605 I612 L613 Y614 T618 S619 C620 V758 L761 W762 I765 F816 | F595-W616 HydrophobicContact CD1-CH2 4.06Å; F595-W616 AromaticContact CD1-CZ2 3.71Å; F595-W616 HydrophobicContact CD1-CZ2 3.71Å; F595-W616 AromaticContact CE1-CH2 3.21Å; F595-W616 HydrophobicContact CE1-CH2 3.21Å; F595-W616 AromaticContact CE1-CZ2 3.35Å; F595-W616 HydrophobicContact CE1-CZ2 3.35Å; F595-W616 HydrophobicContact CE1-CZ3 4.24Å; F595-W616 HydrophobicContact CE2-CH2 4.44Å; F595-W616 HydrophobicContact CE2-CZ2 4.41Å; F595-W616 HydrophobicContact CG-CZ2 4.37Å; F595-W616 AromaticContact CZ-CH2 3.46Å; F595-W616 HydrophobicContact CZ-CH2 3.46Å; F595-W616 VanDerWaalsContact CZ-CH2 3.46Å; F595-W616 AromaticContact CZ-CZ2 3.75Å; F595-W616 HydrophobicContact CZ-CZ2 3.75Å; F595-W616 PolarHBondContact O-NE1 2.75Å; A596-W616 PolarHBondContact O-NE1 3.24Å; P599-W616 HydrophobicContact CG-CG 4.33Å; F605-W616 HydrophobicContact CE1-CD2 4.22Å; F605-W616 AromaticContact CE1-CE2 3.83Å; F605-W616 HydrophobicContact CE1-CE3 4.38Å; F605-W616 AromaticContact CE1-CH2 3.72Å; F605-W616 HydrophobicContact CE1-CH2 3.72Å; F605-W616 AromaticContact CE1-CZ2 3.57Å; F605-W616 HydrophobicContact CE1-CZ2 3.57Å; F605-W616 HydrophobicContact CE1-CZ3 4.15Å; F605-W616 HydrophobicContact CZ-CE3 4.45Å; F605-W616 AromaticContact CZ-CH2 3.72Å; F605-W616 HydrophobicContact CZ-CH2 3.72Å; F605-W616 HydrophobicContact CZ-CZ2 4.08Å; F605-W616 AromaticContact CZ-CZ3 3.95Å; F605-W616 HydrophobicContact CZ-CZ3 3.95Å; I612-W616 WeakPolarHBondContact O-CB 3.23Å; I612-W616 PolarHBondContact O-N 2.8Å; L613-W616 WeakPolarHBondContact O-CB 3.23Å; L613-W616 PolarHBondContact O-N 2.92Å; Y614-W616 VanDerWaalsContact C-N 3.34Å; W616-T618 PolarHBondContact O-N 3.17Å; W616-S619 PolarHBondContact O-N 3.09Å; W616-S619 PolarHBondContact O-OG 3.47Å; W616-S619 VanDerWaalsContact O-OG 3.12Å; W616-C620 WeakPolarHBondContact O-CB 3.46Å; W616-C620 PolarHBondContact O-N 2.79Å; W616-C620 PolarHBondContact O-SG 2.97Å; W616-V758 HydrophobicContact CZ3-CG1 4.32Å; W616-L761 HydrophobicContact CE3-CB 3.99Å; W616-L761 HydrophobicContact CZ3-CB 4.4Å; W616-W762 HydrophobicContact CH2-CB 4.38Å; W616-W762 HydrophobicContact CZ3-CB 4Å; W616-I765 HydrophobicContact CD2-CD1 4.41Å; W616-I765 HydrophobicContact CE3-CD1 4.01Å; W616-F816 HydrophobicContact CH2-CE2 4.17Å; W616-F816 HydrophobicContact CZ2-CE2 4.34Å |
| 617 | H | 97.2 | Very high | 94.8 | Very high | 29 Ų | 29 | 55.3 Ų | 55.3 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 179.9 | -71.2 | -54.1 | 0 | 0 | 0 | 112.4 | A596 Y600 L613 Y614 S619 C620 C621 | A596-H617 PolarHBondContact O-CE1 3.13Å; A596-H617 PolarHBondContact O-ND1 2.98Å; Y600-H617 AromaticContact CD2-CE1 3.93Å; Y600-H617 AromaticContact CE2-CE1 3.14Å; Y600-H617 WeakPolarHBondContact CE2-CE1 3.13Å; Y600-H617 AromaticContact CE2-NE2 3.17Å; Y600-H617 WeakPolarHBondContact CE2-NE2 3.26Å; Y600-H617 AromaticContact CZ-CE1 3.8Å; Y600-H617 AromaticContact CZ-NE2 3.31Å; Y600-H617 VanDerWaalsContact CZ-NE2 3.31Å; Y600-H617 PolarHBondContact OH-NE2 3.21Å; L613-H617 WeakPolarHBondContact CD1-NE2 3.29Å; L613-H617 PolarHBondContact O-CD2 3.02Å; L613-H617 PolarHBondContact O-N 3.45Å; L613-H617 VanDerWaalsContact O-N 3.07Å; Y614-H617 PolarHBondContact O-N 3.38Å; H617-S619 PolarHBondContact O-N 3.39Å; H617-C620 PolarHBondContact O-N 3.02Å; H617-C621 WeakPolarHBondContact O-CB 3.43Å; H617-C621 PolarHBondContact O-N 3.5Å; H617-C621 PolarHBondContact O-SG 3.32Å |
| 618 | T | 97.9 | Very high | 95 | Very high | 90 Ų | 90 | 59.7 Ų | 59.7 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.8 | -40 | -176.9 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | Y614 L615 W616 G622 | Y614-T618 WeakPolarHBondContact O-CB 3.43Å; Y614-T618 WeakPolarHBondContact O-CG2 3.47Å; Y614-T618 PolarHBondContact O-N 3.12Å; Y614-T618 PolarHBondContact O-OG1 3.05Å; L615-T618 WeakPolarHBondContact CA-OG1 3.27Å; L615-T618 PolarHBondContact O-OG1 2.66Å; W616-T618 PolarHBondContact O-N 3.17Å; T618-G622 PolarHBondContact O-N 3.32Å |
| 619 | S | 97.8 | Very high | 95.2 | Very high | 12 Ų | 12 | 54 Ų | 54 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.9 | -40.2 | 177.3 | 60.9 | 0 | 0 | 0 | 0 | 112.9 | L615 W616 H617 G622 L623 L761 | L615-S619 WeakPolarHBondContact O-CB 3.21Å; L615-S619 PolarHBondContact O-N 3.22Å; L615-S619 PolarHBondContact O-OG 2.85Å; W616-S619 PolarHBondContact O-N 3.09Å; W616-S619 PolarHBondContact O-OG 3.47Å; W616-S619 VanDerWaalsContact O-OG 3.12Å; H617-S619 PolarHBondContact O-N 3.39Å; S619-G622 PolarHBondContact O-N 2.81Å; S619-L623 PolarHBondContact O-N 2.87Å; S619-L761 WeakPolarHBondContact OG-CD1 3.42Å |
| 620 | C | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 174.4 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | A596 W616 H617 G622 L623 A624 | A596-C620 HydrophobicContact CB-CB 3.5Å; A596-C620 VanDerWaalsContact CB-CB 3.5Å; W616-C620 WeakPolarHBondContact O-CB 3.46Å; W616-C620 PolarHBondContact O-N 2.79Å; W616-C620 PolarHBondContact O-SG 2.97Å; H617-C620 PolarHBondContact O-N 3.02Å; C620-G622 VanDerWaalsContact C-N 3.33Å; C620-L623 WeakPolarHBondContact O-CB 3.46Å; C620-L623 PolarHBondContact O-N 3.2Å; C620-A624 PolarHBondContact O-N 2.73Å |
| 621 | C | 97.9 | Very high | 94.4 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 39% | 0.392 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 171.3 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | H617 L623 A624 | H617-C621 WeakPolarHBondContact O-CB 3.43Å; H617-C621 PolarHBondContact O-N 3.5Å; H617-C621 PolarHBondContact O-SG 3.32Å; C621-L623 VanDerWaalsContact C-N 3.33Å; C621-A624 WeakPolarHBondContact O-CB 3.48Å; C621-A624 PolarHBondContact O-N 3.45Å |
| 622 | G | 97.2 | Very high | 93.4 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 19% | 0.186 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -40.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T618 S619 C620 A624 I625 | T618-G622 PolarHBondContact O-N 3.32Å; S619-G622 PolarHBondContact O-N 2.81Å; C620-G622 VanDerWaalsContact C-N 3.33Å; G622-A624 PolarHBondContact O-N 3.34Å; G622-I625 WeakPolarHBondContact O-CB 3.39Å; G622-I625 PolarHBondContact O-N 3.49Å |
| 623 | L | 96.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -31.8 | 175.7 | -167.7 | 63 | 0 | 0 | 0 | 111.8 | S619 C620 C621 I625 F626 P627 F751 V754 F755 V758 I823 | S619-L623 PolarHBondContact O-N 2.87Å; C620-L623 WeakPolarHBondContact O-CB 3.46Å; C620-L623 PolarHBondContact O-N 3.2Å; C621-L623 VanDerWaalsContact C-N 3.33Å; L623-I625 PolarHBondContact O-N 3.46Å; L623-F626 HydrophobicContact CD1-CD2 4.4Å; L623-F626 PolarHBondContact O-N 2.89Å; L623-P627 VanDerWaalsContact O-CD 3.31Å; L623-P627 WeakPolarHBondContact O-CD 3.3Å; L623-F751 HydrophobicContact CD1-CD2 4.01Å; L623-F751 HydrophobicContact CD1-CE2 3.65Å; L623-V754 HydrophobicContact CB-CG1 4.15Å; L623-V754 HydrophobicContact CD1-CG1 4.41Å; L623-F755 HydrophobicContact CD1-CB 4.26Å; L623-F755 HydrophobicContact CD1-CD2 4.39Å; L623-V758 HydrophobicContact CB-CG2 4.47Å; L623-V758 HydrophobicContact CD2-CG1 4.44Å; L623-V758 HydrophobicContact CD2-CG2 4.24Å; L623-I823 HydrophobicContact CD1-CG2 4.1Å; L623-I823 HydrophobicContact CD2-CG2 4.01Å; L623-I823 HydrophobicContact CG-CG2 4.12Å |
| 624 | A | 96.9 | Very high | 90.7 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | S589 C592 L593 C620 C621 G622 | S589-A624 WeakPolarHBondContact CB-O 3.05Å; S589-A624 PolarHBondContact OG-O 3.17Å; C592-A624 HydrophobicContact CB-CB 3.58Å; L593-A624 HydrophobicContact CD2-CB 4.21Å; L593-A624 HydrophobicContact CG-CB 4.28Å; C620-A624 PolarHBondContact O-N 2.73Å; C621-A624 WeakPolarHBondContact O-CB 3.48Å; C621-A624 PolarHBondContact O-N 3.45Å; G622-A624 PolarHBondContact O-N 3.34Å |
| 625 | I | 96.2 | Very high | 89.5 | Confident | 98 Ų | 98 | 41.1 Ų | 41.1 | 50% | 0.503 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -39.1 | 178.5 | -61.4 | 172.4 | 0 | 0 | 0 | 110.7 | G622 L623 L628 L629 | G622-I625 WeakPolarHBondContact O-CB 3.39Å; G622-I625 PolarHBondContact O-N 3.49Å; L623-I625 PolarHBondContact O-N 3.46Å; I625-L628 WeakPolarHBondContact O-CB 3.49Å; I625-L628 PolarHBondContact O-N 3.29Å; I625-L628 VanDerWaalsContact O-N 3.11Å; I625-L629 PolarHBondContact O-N 2.99Å |
| 626 | F | 93.7 | Very high | 88.7 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 10% | 0.096 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -64.3 | -40.6 | -170.2 | -62.8 | -80.6 | 0 | 0 | 0 | 114.9 | L623 L628 L629 Y747 F751 V754 | L623-F626 HydrophobicContact CD1-CD2 4.4Å; L623-F626 PolarHBondContact O-N 2.89Å; F626-L628 PolarHBondContact O-N 2.9Å; F626-L629 HydrophobicContact CD1-CD1 3.96Å; F626-L629 WeakPolarHBondContact O-CB 3.48Å; F626-L629 PolarHBondContact O-N 2.71Å; F626-Y747 AromaticContact CD1-CD2 3.62Å; F626-Y747 HydrophobicContact CD1-CD2 3.62Å; F626-Y747 HydrophobicContact CD1-CE2 4.07Å; F626-Y747 HydrophobicContact CD1-CG 4.3Å; F626-Y747 HydrophobicContact CE1-CD2 4.17Å; F626-F751 HydrophobicContact CB-CD2 4.04Å; F626-F751 HydrophobicContact CD1-CB 3.72Å; F626-F751 HydrophobicContact CD1-CD2 4.44Å; F626-F751 HydrophobicContact CD2-CB 4.41Å; F626-F751 AromaticContact CD2-CD2 3.96Å; F626-F751 HydrophobicContact CD2-CD2 3.96Å; F626-F751 HydrophobicContact CE1-CB 3.8Å; F626-F751 HydrophobicContact CE2-CB 4.48Å; F626-F751 HydrophobicContact CG-CB 4.04Å; F626-F751 AromaticContact CG-CD2 3.89Å; F626-F751 HydrophobicContact CG-CD2 3.89Å; F626-F751 HydrophobicContact CG-CG 4.47Å; F626-F751 VanDerWaalsContact CZ-CA 3.46Å; F626-F751 HydrophobicContact CZ-CB 4.2Å; F626-V754 HydrophobicContact CE2-CB 3.89Å; F626-V754 HydrophobicContact CE2-CG1 4.24Å; F626-V754 HydrophobicContact CE2-CG2 3.89Å; F626-V754 HydrophobicContact CZ-CB 4.4Å; F626-V754 HydrophobicContact CZ-CG2 4.02Å |
| 627 | P | 92.1 | Very high | 88.3 | Confident | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -66.1 | -18.2 | 176.1 | -18.2 | 29.9 | 0 | 0 | 0 | 114.2 | R585 L588 S589 L623 L629 | R585-P627 VanDerWaalsContact O-CB 3.25Å; R585-P627 WeakPolarHBondContact O-CB 3.33Å; L588-P627 HydrophobicContact CB-CB 3.89Å; L588-P627 HydrophobicContact CB-CG 3.9Å; S589-P627 WeakPolarHBondContact OG-CB 3.43Å; L623-P627 VanDerWaalsContact O-CD 3.31Å; L623-P627 WeakPolarHBondContact O-CD 3.3Å; P627-L629 VanDerWaalsContact C-N 3.34Å |
| 628 | L | 91.4 | Very high | 87.8 | Confident | 113 Ų | 113 | 44.5 Ų | 44.5 | 59% | 0.592 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -79.7 | -18.1 | 172.5 | -55.5 | 178 | 0 | 0 | 0 | 112.6 | S589 I625 F626 | S589-L628 WeakPolarHBondContact OG-CD2 3.36Å; S589-L628 WeakPolarHBondContact OG-CG 3.33Å; I625-L628 WeakPolarHBondContact O-CB 3.49Å; I625-L628 PolarHBondContact O-N 3.29Å; I625-L628 VanDerWaalsContact O-N 3.11Å; F626-L628 PolarHBondContact O-N 2.9Å |
| 629 | L | 89.6 | Confident | 87.6 | Confident | 52 Ų | 52 | 43.4 Ų | 43.4 | 27% | 0.272 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -76 | 151.8 | 178.1 | -61.1 | 179.7 | 0 | 0 | 0 | 110.7 | R585 I625 F626 P627 Y747 | R585-L629 PolarHBondContact NH1-O 3.26Å; I625-L629 PolarHBondContact O-N 2.99Å; F626-L629 HydrophobicContact CD1-CD1 3.96Å; F626-L629 WeakPolarHBondContact O-CB 3.48Å; F626-L629 PolarHBondContact O-N 2.71Å; P627-L629 VanDerWaalsContact C-N 3.34Å; L629-Y747 HydrophobicContact CB-CD1 4.15Å; L629-Y747 HydrophobicContact CB-CE1 3.48Å; L629-Y747 VanDerWaalsContact CB-CE1 3.48Å; L629-Y747 HydrophobicContact CD1-CD1 3.61Å; L629-Y747 HydrophobicContact CD1-CD2 4.22Å; L629-Y747 HydrophobicContact CD1-CE1 3.81Å; L629-Y747 HydrophobicContact CD1-CE2 4.36Å; L629-Y747 HydrophobicContact CD1-CG 3.86Å; L629-Y747 HydrophobicContact CG-CE1 4.29Å |
| 630 | P | 83.9 | Confident | 87.4 | Confident | 57 Ų | 57 | 46 Ų | 46 | 37% | 0.37 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 146.5 | 177.5 | 23.3 | -34.3 | 0 | 0 | 0 | 110.8 | Y746 Y747 | P630-Y746 HydrophobicContact CG-CE1 4.21Å; P630-Y747 WeakPolarHBondContact O-CE1 3.45Å; P630-Y747 PolarHBondContact O-OH 3.17Å |
| 631 | A | 78.8 | Confident | 87.2 | Confident | 49 Ų | 49 | 45.9 Ų | 45.9 | 41% | 0.405 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 142 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R585 S634 | R585-A631 VanDerWaalsContact NH1-N 3.15Å; A631-S634 PolarHBondContact O-OG 3.14Å |
| 632 | I | 75 | Confident | 87.1 | Confident | 10 Ų | 10 | 45.2 Ų | 45.2 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 134.7 | 177.6 | -67.4 | 149.8 | 0 | 0 | 0 | 108.8 | Y747 E748 G827 T828 | I632-Y747 HydrophobicContact CD1-CE2 3.94Å; I632-Y747 HydrophobicContact CG1-CE1 4.47Å; I632-Y747 HydrophobicContact CG1-CE2 4.04Å; I632-E748 HydrophobicContact CD1-CG 3.5Å; I632-E748 VanDerWaalsContact CD1-CG 3.5Å; I632-E748 HydrophobicContact CG1-CG 3.91Å; I632-E748 HydrophobicContact CG2-CG 4.08Å; I632-E748 WeakPolarHBondContact CG2-OE1 3.45Å; I632-G827 WeakPolarHBondContact CD1-O 3.41Å; I632-T828 VanDerWaalsContact CD1-C 3.43Å |
| 633 | G | 66.9 | Low | 87 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 116.5 | -29.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 634 | S | 65 | Low | 87 | Confident | 77 Ų | 77 | 49.3 Ų | 49.3 | 54% | 0.538 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -78.3 | -39.4 | 179.1 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | A631 | A631-S634 PolarHBondContact O-OG 3.14Š|
| 635 | N | 73.2 | Confident | 87 | Confident | 65 Ų | 65 | 49 Ų | 49 | 35% | 0.348 | 28% | 0.275 | S | S | . | . | trans | -121 | 141.3 | -174.8 | -71.7 | -36.7 | 0 | 0 | 0 | 110.9 | F637 Y746 | N635-F637 HydrophobicContact CB-CD2 4.27Å; N635-F637 HydrophobicContact CB-CE2 4.01Å; N635-Y746 HydrophobicContact CB-CD1 4.43Å; N635-Y746 HydrophobicContact CB-CE1 4.26Å | ||
| 636 | M | 79.4 | Confident | 87 | Confident | 51 Ų | 51 | 47.4 Ų | 47.4 | 25% | 0.251 | 27% | 0.267 | S | S | . | . | trans | -123.4 | 119.5 | 178.2 | -165.9 | -165 | -152.6 | 0 | 0 | 110.1 | T745 R840 | M636-T745 HydrophobicContact CE-CG2 4.16Å; M636-R840 HydrophobicContact CE-CB 3.61Å; M636-R840 HydrophobicContact CE-CG 4.35Å | ||
| 637 | F | 88.8 | Confident | 87.2 | Confident | 104 Ų | 104 | 50.9 Ų | 50.9 | 46% | 0.456 | 29% | 0.286 | S | S | . | . | trans | -138.1 | 79.2 | 175.1 | -67.7 | -86 | 0 | 0 | 0 | 109.9 | N635 T639 I640 T745 Y746 | N635-F637 HydrophobicContact CB-CD2 4.27Å; N635-F637 HydrophobicContact CB-CE2 4.01Å; F637-T639 PolarHBondContact O-N 2.89Å; F637-T639 VanDerWaalsContact O-N 3.17Å; F637-I640 HydrophobicContact CB-CD1 3.93Å; F637-I640 HydrophobicContact CB-CG1 4.28Å; F637-I640 PolarHBondContact O-N 2.83Å; F637-T745 CarbonylContact C-O 3.34Å; F637-T745 PolarHBondContact N-O 3.41Å; F637-Y746 HydrophobicContact CB-CD2 3.78Å; F637-Y746 HydrophobicContact CB-CE2 3.91Å; F637-Y746 AromaticContact CD2-CD2 3.76Å; F637-Y746 HydrophobicContact CD2-CD2 3.76Å; F637-Y746 AromaticContact CD2-CE2 3.35Å; F637-Y746 HydrophobicContact CD2-CE2 3.35Å; F637-Y746 HydrophobicContact CE2-CE2 4.22Å; F637-Y746 HydrophobicContact CG-CD2 4.23Å; F637-Y746 AromaticContact CG-CE2 3.98Å; F637-Y746 HydrophobicContact CG-CE2 3.98Å | ||
| 638 | P | 88 | Confident | 87.4 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.2 | -21.5 | -176.2 | 27.4 | -33.2 | 0 | 0 | 0 | 112.3 | I640 V641 F642 V685 | P638-I640 VanDerWaalsContact C-N 3.28Å; P638-I640 PolarHBondContact O-N 3.44Å; P638-V641 WeakPolarHBondContact O-CB 3.45Å; P638-V641 PolarHBondContact O-N 2.9Å; P638-F642 WeakPolarHBondContact O-CB 3.32Å; P638-F642 PolarHBondContact O-N 3.02Å; P638-V685 HydrophobicContact CB-CG1 4.45Å |
| 639 | T | 92.7 | Very high | 87.7 | Confident | 68 Ų | 68 | 47 Ų | 47 | 42% | 0.417 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.7 | -36 | 172.8 | -48.1 | 0 | 0 | 0 | 0 | 112.2 | F637 F642 I643 | F637-T639 PolarHBondContact O-N 2.89Å; F637-T639 VanDerWaalsContact O-N 3.17Å; T639-F642 WeakPolarHBondContact O-CB 3.11Å; T639-F642 PolarHBondContact O-N 3.4Å; T639-I643 HydrophobicContact CG2-CD1 3.96Å; T639-I643 VanDerWaalsContact O-CG1 3.27Å; T639-I643 WeakPolarHBondContact O-CG1 3.18Å; T639-I643 PolarHBondContact O-N 3.05Å |
| 640 | I | 93.3 | Very high | 88 | Confident | 65 Ų | 65 | 47.4 Ų | 47.4 | 33% | 0.333 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69 | -44.4 | 176.4 | -67.6 | 171.5 | 0 | 0 | 0 | 109.8 | F637 P638 F642 I643 T644 Y746 | F637-I640 HydrophobicContact CB-CD1 3.93Å; F637-I640 HydrophobicContact CB-CG1 4.28Å; F637-I640 PolarHBondContact O-N 2.83Å; P638-I640 VanDerWaalsContact C-N 3.28Å; P638-I640 PolarHBondContact O-N 3.44Å; I640-F642 PolarHBondContact O-N 3.12Å; I640-I643 PolarHBondContact O-N 2.94Å; I640-T644 WeakPolarHBondContact O-CB 3.26Å; I640-T644 PolarHBondContact O-N 2.9Å; I640-T644 PolarHBondContact O-OG1 3.12Å; I640-T644 VanDerWaalsContact O-OG1 3.07Å; I640-Y746 HydrophobicContact CD1-CD2 4.3Å; I640-Y746 HydrophobicContact CD1-CE2 3.82Å |
| 641 | V | 93.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.8 | -44.7 | 172.9 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | P638 G645 V685 L741 Y746 V749 | P638-V641 WeakPolarHBondContact O-CB 3.45Å; P638-V641 PolarHBondContact O-N 2.9Å; V641-G645 PolarHBondContact O-N 3.03Å; V641-V685 HydrophobicContact CB-CG1 4.42Å; V641-V685 HydrophobicContact CG1-CB 4.44Å; V641-V685 HydrophobicContact CG1-CG1 4.04Å; V641-L741 HydrophobicContact CG1-CG 4.29Å; V641-Y746 WeakPolarHBondContact CG2-O 3.25Å; V641-V749 HydrophobicContact CG1-CG2 3.93Å |
| 642 | F | 95.7 | Very high | 89.3 | Confident | 44 Ų | 44 | 46.8 Ų | 46.8 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -52.1 | -179.6 | -179 | -117.5 | 0 | 0 | 0 | 112.5 | P638 T639 I640 G645 L646 S682 F683 Y686 | P638-F642 WeakPolarHBondContact O-CB 3.32Å; P638-F642 PolarHBondContact O-N 3.02Å; T639-F642 WeakPolarHBondContact O-CB 3.11Å; T639-F642 PolarHBondContact O-N 3.4Å; I640-F642 PolarHBondContact O-N 3.12Å; F642-G645 PolarHBondContact O-N 3.19Å; F642-L646 HydrophobicContact CD1-CD1 4.11Å; F642-L646 HydrophobicContact CD2-CG 4.5Å; F642-L646 HydrophobicContact CE1-CD1 3.53Å; F642-L646 HydrophobicContact CE1-CG 4.34Å; F642-L646 HydrophobicContact CE2-CD1 4.13Å; F642-L646 HydrophobicContact CE2-CD2 4.3Å; F642-L646 HydrophobicContact CE2-CG 4.11Å; F642-L646 HydrophobicContact CZ-CD1 3.55Å; F642-L646 HydrophobicContact CZ-CD2 4.3Å; F642-L646 HydrophobicContact CZ-CG 4.04Å; F642-L646 WeakPolarHBondContact O-CG 3.34Å; F642-L646 PolarHBondContact O-N 2.92Å; F642-S682 WeakPolarHBondContact CA-OG 3.16Å; F642-S682 VanDerWaalsContact CD2-OG 3.31Å; F642-S682 WeakPolarHBondContact CD2-OG 3.31Å; F642-S682 PolarHBondContact O-OG 3.37Å; F642-F683 HydrophobicContact CE2-CB 4.28Å; F642-F683 HydrophobicContact CE2-CD2 4.4Å; F642-Y686 HydrophobicContact CB-CD2 4.1Å; F642-Y686 HydrophobicContact CB-CG 4.27Å; F642-Y686 HydrophobicContact CD1-CG 4.47Å; F642-Y686 HydrophobicContact CD2-CG 4.32Å; F642-Y686 HydrophobicContact CG-CD2 4.28Å; F642-Y686 HydrophobicContact CG-CG 4.1Å |
| 643 | I | 96.8 | Very high | 90.2 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 44% | 0.441 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | -179.3 | -68.8 | 167.2 | 0 | 0 | 0 | 110.7 | T639 I640 G645 L646 I647 | T639-I643 HydrophobicContact CG2-CD1 3.96Å; T639-I643 VanDerWaalsContact O-CG1 3.27Å; T639-I643 WeakPolarHBondContact O-CG1 3.18Å; T639-I643 PolarHBondContact O-N 3.05Å; I640-I643 PolarHBondContact O-N 2.94Å; I643-G645 VanDerWaalsContact C-N 3.32Å; I643-G645 PolarHBondContact O-N 2.55Å; I643-L646 PolarHBondContact O-N 3.14Å; I643-I647 HydrophobicContact CG2-CD1 3.88Å; I643-I647 WeakPolarHBondContact O-CG1 3.35Å; I643-I647 PolarHBondContact O-N 3.01Å |
| 644 | T | 96.6 | Very high | 91.5 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 12% | 0.117 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | 177.3 | -60 | 0 | 0 | 0 | 0 | 111 | I640 L646 I647 L648 V749 S750 | I640-T644 WeakPolarHBondContact O-CB 3.26Å; I640-T644 PolarHBondContact O-N 2.9Å; I640-T644 PolarHBondContact O-OG1 3.12Å; I640-T644 VanDerWaalsContact O-OG1 3.07Å; T644-L646 PolarHBondContact O-N 3.27Å; T644-I647 PolarHBondContact O-N 2.97Å; T644-L648 HydrophobicContact CG2-CD1 4.1Å; T644-L648 HydrophobicContact CG2-CG 4.41Å; T644-L648 WeakPolarHBondContact O-CG 3.16Å; T644-L648 PolarHBondContact O-N 2.66Å; T644-V749 HydrophobicContact CG2-CB 4.15Å; T644-V749 HydrophobicContact CG2-CG1 3.78Å; T644-S750 WeakPolarHBondContact CG2-OG 3.46Å; T644-S750 PolarHBondContact OG1-OG 2.76Å |
| 645 | G | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.8 | -48 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V641 F642 I643 I647 L648 T649 | V641-G645 PolarHBondContact O-N 3.03Å; F642-G645 PolarHBondContact O-N 3.19Å; I643-G645 VanDerWaalsContact C-N 3.32Å; I643-G645 PolarHBondContact O-N 2.55Å; G645-I647 PolarHBondContact O-N 2.82Å; G645-L648 PolarHBondContact O-N 3.19Å; G645-T649 VanDerWaalsContact O-CG2 3.31Å; G645-T649 WeakPolarHBondContact O-CG2 3.19Å; G645-T649 PolarHBondContact O-N 3.41Å; G645-T649 VanDerWaalsContact O-N 3.17Å |
| 646 | L | 96.2 | Very high | 93.7 | Very high | 65 Ų | 65 | 47.8 Ų | 47.8 | 34% | 0.34 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 176.8 | -74.2 | 179.8 | 0 | 0 | 0 | 112.6 | F642 I643 T644 L648 T649 P650 | F642-L646 HydrophobicContact CD1-CD1 4.11Å; F642-L646 HydrophobicContact CD2-CG 4.5Å; F642-L646 HydrophobicContact CE1-CD1 3.53Å; F642-L646 HydrophobicContact CE1-CG 4.34Å; F642-L646 HydrophobicContact CE2-CD1 4.13Å; F642-L646 HydrophobicContact CE2-CD2 4.3Å; F642-L646 HydrophobicContact CE2-CG 4.11Å; F642-L646 HydrophobicContact CZ-CD1 3.55Å; F642-L646 HydrophobicContact CZ-CD2 4.3Å; F642-L646 HydrophobicContact CZ-CG 4.04Å; F642-L646 WeakPolarHBondContact O-CG 3.34Å; F642-L646 PolarHBondContact O-N 2.92Å; I643-L646 PolarHBondContact O-N 3.14Å; T644-L646 PolarHBondContact O-N 3.27Å; L646-L648 VanDerWaalsContact C-N 3.33Å; L646-L648 PolarHBondContact O-N 3.02Å; L646-T649 PolarHBondContact O-N 3.31Å; L646-T649 PolarHBondContact O-OG1 3.38Å; L646-P650 WeakPolarHBondContact O-CD 3.42Å |
| 647 | I | 97.5 | Very high | 94.2 | Very high | 95 Ų | 95 | 51.4 Ų | 51.4 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.9 | -37.2 | 176.9 | -67.4 | 167 | 0 | 0 | 0 | 111.2 | I643 T644 G645 T649 P650 I651 | I643-I647 HydrophobicContact CG2-CD1 3.88Å; I643-I647 WeakPolarHBondContact O-CG1 3.35Å; I643-I647 PolarHBondContact O-N 3.01Å; T644-I647 PolarHBondContact O-N 2.97Å; G645-I647 PolarHBondContact O-N 2.82Å; I647-T649 VanDerWaalsContact C-N 3.26Å; I647-T649 PolarHBondContact O-N 3.42Å; I647-P650 VanDerWaalsContact O-CD 3.22Å; I647-P650 WeakPolarHBondContact O-CD 3.48Å; I647-P650 WeakPolarHBondContact O-CG 3.46Å; I647-I651 HydrophobicContact CG2-CD1 3.82Å; I647-I651 WeakPolarHBondContact O-CD1 3.27Å; I647-I651 WeakPolarHBondContact O-CG1 3.22Å |
| 648 | L | 97 | Very high | 94.3 | Very high | 21 Ų | 21 | 52.3 Ų | 52.3 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.6 | -20.5 | 177.6 | -70.8 | 175.7 | 0 | 0 | 0 | 113.1 | T644 G645 L646 I651 S652 I678 L737 V749 A753 | T644-L648 HydrophobicContact CG2-CD1 4.1Å; T644-L648 HydrophobicContact CG2-CG 4.41Å; T644-L648 WeakPolarHBondContact O-CG 3.16Å; T644-L648 PolarHBondContact O-N 2.66Å; G645-L648 PolarHBondContact O-N 3.19Å; L646-L648 VanDerWaalsContact C-N 3.33Å; L646-L648 PolarHBondContact O-N 3.02Å; L648-I651 HydrophobicContact CD2-CD1 4.4Å; L648-I651 PolarHBondContact O-N 3.17Å; L648-S652 WeakPolarHBondContact O-CB 3.42Å; L648-S652 PolarHBondContact O-N 3.19Å; L648-S652 PolarHBondContact O-OG 2.92Å; L648-I678 HydrophobicContact CB-CG2 4.35Å; L648-L737 HydrophobicContact CD1-CD1 3.95Å; L648-L737 HydrophobicContact CD1-CD2 4.07Å; L648-V749 HydrophobicContact CD1-CG1 3.66Å; L648-A753 HydrophobicContact CD1-CB 4.3Å; L648-A753 HydrophobicContact CD2-CB 3.92Å |
| 649 | T | 97.3 | Very high | 94.3 | Very high | 23 Ų | 23 | 51.8 Ų | 51.8 | 14% | 0.141 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -57.3 | 178.2 | 67.6 | 0 | 0 | 0 | 0 | 113.2 | G645 L646 I647 I651 S652 I653 I678 C679 | G645-T649 VanDerWaalsContact O-CG2 3.31Å; G645-T649 WeakPolarHBondContact O-CG2 3.19Å; G645-T649 PolarHBondContact O-N 3.41Å; G645-T649 VanDerWaalsContact O-N 3.17Å; L646-T649 PolarHBondContact O-N 3.31Å; L646-T649 PolarHBondContact O-OG1 3.38Å; I647-T649 VanDerWaalsContact C-N 3.26Å; I647-T649 PolarHBondContact O-N 3.42Å; T649-I651 VanDerWaalsContact C-N 3.33Å; T649-I651 PolarHBondContact O-N 2.7Å; T649-S652 PolarHBondContact O-N 2.66Å; T649-S652 PolarHBondContact O-OG 3.49Å; T649-I653 WeakPolarHBondContact O-CG1 3.18Å; T649-I653 PolarHBondContact O-N 3.4Å; T649-I678 HydrophobicContact CG2-CB 4.2Å; T649-I678 HydrophobicContact CG2-CG2 3.89Å; T649-C679 HydrophobicContact CG2-CB 3.61Å |
| 650 | P | 96.9 | Very high | 93.9 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 40% | 0.396 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.8 | -35.7 | 176.7 | 28.8 | -37.5 | 0 | 0 | 0 | 112 | L646 I647 S652 I653 I654 | L646-P650 WeakPolarHBondContact O-CD 3.42Å; I647-P650 VanDerWaalsContact O-CD 3.22Å; I647-P650 WeakPolarHBondContact O-CD 3.48Å; I647-P650 WeakPolarHBondContact O-CG 3.46Å; P650-S652 VanDerWaalsContact C-N 3.35Å; P650-S652 PolarHBondContact O-N 3.39Å; P650-I653 PolarHBondContact O-N 2.93Å; P650-I654 WeakPolarHBondContact O-CB 3.43Å; P650-I654 WeakPolarHBondContact O-CG1 3.47Å; P650-I654 PolarHBondContact O-N 2.65Å |
| 651 | I | 95.4 | Very high | 93.2 | Very high | 80 Ų | 80 | 50.7 Ų | 50.7 | 41% | 0.41 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 179.3 | -64.9 | 172.5 | 0 | 0 | 0 | 109.9 | I647 L648 T649 I653 I654 S655 | I647-I651 HydrophobicContact CG2-CD1 3.82Å; I647-I651 WeakPolarHBondContact O-CD1 3.27Å; I647-I651 WeakPolarHBondContact O-CG1 3.22Å; L648-I651 HydrophobicContact CD2-CD1 4.4Å; L648-I651 PolarHBondContact O-N 3.17Å; T649-I651 VanDerWaalsContact C-N 3.33Å; T649-I651 PolarHBondContact O-N 2.7Å; I651-I653 VanDerWaalsContact C-N 3.34Å; I651-I653 PolarHBondContact O-N 3.24Å; I651-I654 PolarHBondContact O-N 3.49Å; I651-S655 VanDerWaalsContact O-CB 3.29Å; I651-S655 WeakPolarHBondContact O-CB 3.32Å; I651-S655 PolarHBondContact O-N 3.43Å; I651-S655 PolarHBondContact O-OG 3.37Å |
| 652 | S | 94.3 | Very high | 92.2 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 178.5 | 71.3 | 0 | 0 | 0 | 0 | 112.8 | L648 T649 P650 F656 I678 | L648-S652 WeakPolarHBondContact O-CB 3.42Å; L648-S652 PolarHBondContact O-N 3.19Å; L648-S652 PolarHBondContact O-OG 2.92Å; T649-S652 PolarHBondContact O-N 2.66Å; T649-S652 PolarHBondContact O-OG 3.49Å; P650-S652 VanDerWaalsContact C-N 3.35Å; P650-S652 PolarHBondContact O-N 3.39Å; S652-F656 VanDerWaalsContact O-CB 3.31Å; S652-F656 WeakPolarHBondContact O-CB 3.15Å; S652-F656 PolarHBondContact O-N 2.81Å; S652-I678 WeakPolarHBondContact OG-CD1 3.26Å |
| 653 | I | 94.4 | Very high | 91 | Very high | 33 Ų | 33 | 59.6 Ų | 59.6 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -50.1 | 177.5 | -64 | 164.2 | 0 | 0 | 0 | 109.9 | T649 P650 I651 R657 S671 Y672 | T649-I653 WeakPolarHBondContact O-CG1 3.18Å; T649-I653 PolarHBondContact O-N 3.4Å; P650-I653 PolarHBondContact O-N 2.93Å; I651-I653 VanDerWaalsContact C-N 3.34Å; I651-I653 PolarHBondContact O-N 3.24Å; I653-R657 WeakPolarHBondContact O-CB 3.32Å; I653-R657 VanDerWaalsContact O-CG 3.28Å; I653-R657 WeakPolarHBondContact O-CG 3.12Å; I653-R657 PolarHBondContact O-N 2.92Å; I653-S671 WeakPolarHBondContact CG1-O 3.26Å; I653-Y672 HydrophobicContact CD1-CD1 4.09Å; I653-Y672 HydrophobicContact CG2-CD1 4.27Å; I653-Y672 HydrophobicContact CG2-CE1 4.12Å |
| 654 | I | 93.6 | Very high | 90.1 | Very high | 113 Ų | 113 | 56.4 Ų | 56.4 | 58% | 0.579 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.9 | -47.1 | -178.3 | -65.7 | 168.6 | 0 | 0 | 0 | 110.5 | P650 I651 R657 F658 | P650-I654 WeakPolarHBondContact O-CB 3.43Å; P650-I654 WeakPolarHBondContact O-CG1 3.47Å; P650-I654 PolarHBondContact O-N 2.65Å; I651-I654 PolarHBondContact O-N 3.49Å; I654-R657 PolarHBondContact O-N 2.94Å; I654-F658 VanDerWaalsContact O-CB 3.32Å; I654-F658 WeakPolarHBondContact O-CB 3.31Å; I654-F658 PolarHBondContact O-N 3.47Å |
| 655 | S | 92.2 | Very high | 89.4 | Confident | 46 Ų | 46 | 60.5 Ų | 60.5 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 179.7 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | I651 R657 F658 V659 I730 | I651-S655 VanDerWaalsContact O-CB 3.29Å; I651-S655 WeakPolarHBondContact O-CB 3.32Å; I651-S655 PolarHBondContact O-N 3.43Å; I651-S655 PolarHBondContact O-OG 3.37Å; S655-R657 VanDerWaalsContact C-N 3.34Å; S655-R657 PolarHBondContact O-N 2.92Å; S655-F658 PolarHBondContact O-N 2.92Å; S655-V659 WeakPolarHBondContact O-CB 3.41Å; S655-V659 WeakPolarHBondContact O-CG2 3.43Å; S655-V659 PolarHBondContact O-N 3.28Å; S655-I730 VanDerWaalsContact O-CD1 3.31Å; S655-I730 WeakPolarHBondContact O-CD1 3.24Å |
| 656 | F | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 178.3 | -169.3 | -92.5 | 0 | 0 | 0 | 111.7 | S652 S660 F667 L670 F674 V721 P727 I730 | S652-F656 VanDerWaalsContact O-CB 3.31Å; S652-F656 WeakPolarHBondContact O-CB 3.15Å; S652-F656 PolarHBondContact O-N 2.81Å; F656-S660 WeakPolarHBondContact O-CB 2.97Å; F656-S660 PolarHBondContact O-N 2.9Å; F656-F667 HydrophobicContact CE1-CB 4.39Å; F656-F667 HydrophobicContact CE1-CD1 4.03Å; F656-F667 HydrophobicContact CZ-CD1 4.26Å; F656-L670 HydrophobicContact CE1-CB 3.99Å; F656-L670 HydrophobicContact CZ-CB 4.28Å; F656-F674 HydrophobicContact CD2-CD2 4.2Å; F656-F674 HydrophobicContact CD2-CE2 4.15Å; F656-F674 HydrophobicContact CE2-CD2 4.23Å; F656-F674 AromaticContact CE2-CE2 3.74Å; F656-F674 HydrophobicContact CE2-CE2 3.74Å; F656-F674 HydrophobicContact CZ-CE2 4.07Å; F656-V721 HydrophobicContact CE2-CG2 4.42Å; F656-V721 HydrophobicContact CZ-CG2 4.3Å; F656-P727 HydrophobicContact CE2-CB 4.29Å; F656-I730 HydrophobicContact CB-CG2 4.13Å; F656-I730 HydrophobicContact CD2-CB 4.27Å; F656-I730 HydrophobicContact CD2-CG2 3.83Å; F656-I730 HydrophobicContact CG-CG2 4.49Å |
| 657 | R | 90.7 | Very high | 88.3 | Confident | 127 Ų | 127 | 59 Ų | 59 | 48% | 0.479 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 176.4 | -73.2 | -173.4 | 68.8 | -178.1 | 0.3 | 112.5 | I653 I654 S655 V659 N661 | I653-R657 WeakPolarHBondContact O-CB 3.32Å; I653-R657 VanDerWaalsContact O-CG 3.28Å; I653-R657 WeakPolarHBondContact O-CG 3.12Å; I653-R657 PolarHBondContact O-N 2.92Å; I654-R657 PolarHBondContact O-N 2.94Å; S655-R657 VanDerWaalsContact C-N 3.34Å; S655-R657 PolarHBondContact O-N 2.92Å; R657-V659 VanDerWaalsContact C-N 3.32Å; R657-V659 PolarHBondContact O-N 3.47Å; R657-N661 PolarHBondContact O-N 3.35Å |
| 658 | F | 90.2 | Very high | 87.8 | Confident | 123 Ų | 123 | 56 Ų | 56 | 54% | 0.539 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 178.6 | 174 | -104.5 | 0 | 0 | 0 | 111.6 | I654 S655 W781 | I654-F658 VanDerWaalsContact O-CB 3.32Å; I654-F658 WeakPolarHBondContact O-CB 3.31Å; I654-F658 PolarHBondContact O-N 3.47Å; S655-F658 PolarHBondContact O-N 2.92Å; F658-W781 AromaticContact CE1-NE1 3.7Å |
| 659 | V | 88 | Confident | 87.4 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -78.5 | -34.8 | -174.5 | 172.9 | 0 | 0 | 0 | 0 | 112.2 | S655 R657 G726 P727 I730 W781 | S655-V659 WeakPolarHBondContact O-CB 3.41Å; S655-V659 WeakPolarHBondContact O-CG2 3.43Å; S655-V659 PolarHBondContact O-N 3.28Å; R657-V659 VanDerWaalsContact C-N 3.32Å; R657-V659 PolarHBondContact O-N 3.47Å; V659-G726 WeakPolarHBondContact CG1-O 3.34Å; V659-P727 HydrophobicContact CG1-CG 4.28Å; V659-I730 HydrophobicContact CB-CD1 3.75Å; V659-I730 HydrophobicContact CG1-CD1 4.12Å; V659-I730 HydrophobicContact CG2-CD1 3.49Å; V659-I730 VanDerWaalsContact CG2-CD1 3.49Å; V659-W781 HydrophobicContact CG1-CB 4.01Å; V659-W781 HydrophobicContact CG1-CE3 4.47Å; V659-W781 HydrophobicContact CG1-CG 4.32Å; V659-W781 HydrophobicContact CG2-CD2 4.25Å; V659-W781 HydrophobicContact CG2-CE3 4.5Å; V659-W781 HydrophobicContact CG2-CG 4.36Å |
| 660 | S | 85.8 | Confident | 87 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.007 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.8 | -35 | 174.1 | -176.2 | 0 | 0 | 0 | 0 | 112.9 | F656 S662 F667 | F656-S660 WeakPolarHBondContact O-CB 2.97Å; F656-S660 PolarHBondContact O-N 2.9Å; S660-S662 PolarHBondContact O-N 3.48Å; S660-F667 WeakPolarHBondContact OG-CD1 3.47Å; S660-F667 WeakPolarHBondContact OG-CD2 3.47Å; S660-F667 WeakPolarHBondContact OG-CG 3.3Å |
| 661 | N | 78.4 | Confident | 86.8 | Confident | 108 Ų | 108 | 58.3 Ų | 58.3 | 58% | 0.578 | 28% | 0.282 | S | S | * | . | trans | 41.5 | 40.7 | -179.6 | -165.7 | 42.1 | 0 | 0 | 0 | 113.8 | R657 R779 | R657-N661 PolarHBondContact O-N 3.35Å; N661-R779 VanDerWaalsContact CB-CZ 3.45Å; N661-R779 VanDerWaalsContact CB-NH1 3.28Å; N661-R779 VanDerWaalsContact CG-NH1 3.27Å; N661-R779 PolarHBondContact ND2-NH1 3Å; N661-R779 PolarHBondContact ND2-NH2 3.4Å | ||
| 662 | S | 71.8 | Confident | 86.7 | Confident | 42 Ų | 42 | 60.4 Ų | 60.4 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | trans | -124.3 | 131.4 | -179.1 | -177.1 | 0 | 0 | 0 | 0 | 108 | S660 N664 F667 | S660-S662 PolarHBondContact O-N 3.48Å; S662-N664 PolarHBondContact O-N 3.48Å; S662-N664 VanDerWaalsContact OG-CB 3.25Å; S662-N664 WeakPolarHBondContact OG-CB 3.2Å; S662-N664 PolarHBondContact OG-N 2.96Å; S662-N664 VanDerWaalsContact OG-N 3.16Å; S662-F667 VanDerWaalsContact CB-CD2 3.48Å | ||
| 663 | Q | 69.9 | Low | 86.7 | Confident | 189 Ų | 189 | 62 Ų | 62 | 88% | 0.883 | 29% | 0.293 | S | S | * | . | trans | -76.3 | 2.9 | 169.3 | -66.3 | -176.9 | -7.3 | 0 | 0 | 112.1 | H665 | Q663-H665 PolarHBondContact O-N 3.34Š| ||
| 664 | N | 79.3 | Confident | 86.7 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | trans | -64.9 | 126.3 | 178.6 | -171.8 | -43.9 | 0 | 0 | 0 | 110.2 | S662 L666 F667 V668 L974 S977 N978 | S662-N664 PolarHBondContact O-N 3.48Å; S662-N664 VanDerWaalsContact OG-CB 3.25Å; S662-N664 WeakPolarHBondContact OG-CB 3.2Å; S662-N664 PolarHBondContact OG-N 2.96Å; S662-N664 VanDerWaalsContact OG-N 3.16Å; N664-L666 PolarHBondContact O-N 2.99Å; N664-L666 VanDerWaalsContact O-N 3.11Å; N664-L666 WeakPolarHBondContact OD1-CB 3.35Å; N664-L666 PolarHBondContact OD1-N 2.69Å; N664-F667 HydrophobicContact CB-CD2 3.9Å; N664-F667 HydrophobicContact CB-CE2 4.33Å; N664-F667 PolarHBondContact O-N 2.9Å; N664-V668 PolarHBondContact O-N 2.5Å; N664-L974 WeakPolarHBondContact ND2-CD2 3.14Å; N664-S977 PolarHBondContact OD1-OG 2.98Å; N664-S977 VanDerWaalsContact OD1-OG 3.08Å; N664-N978 PolarHBondContact ND2-OD1 3.07Å | ||
| 665 | H | 80.9 | Confident | 86.8 | Confident | 104 Ų | 104 | 55.3 Ų | 55.3 | 48% | 0.481 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -52.6 | -32.8 | -178.7 | -76.1 | -76.2 | 0 | 0 | 0 | 113.6 | Q663 F667 V668 W669 | Q663-H665 PolarHBondContact O-N 3.34Å; H665-F667 VanDerWaalsContact C-N 3.33Å; H665-F667 PolarHBondContact O-N 2.98Å; H665-V668 PolarHBondContact O-N 3.47Å; H665-W669 WeakPolarHBondContact O-CB 3.34Å; H665-W669 PolarHBondContact O-N 3.13Å |
| 666 | L | 84.6 | Confident | 87 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 12% | 0.12 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 177.1 | -178.9 | 63.8 | 0 | 0 | 0 | 111.8 | N664 W669 L670 L974 | N664-L666 PolarHBondContact O-N 2.99Å; N664-L666 VanDerWaalsContact O-N 3.11Å; N664-L666 WeakPolarHBondContact OD1-CB 3.35Å; N664-L666 PolarHBondContact OD1-N 2.69Å; L666-W669 PolarHBondContact O-N 3.12Å; L666-L670 HydrophobicContact CD1-CD1 4.43Å; L666-L670 HydrophobicContact CD1-CG 4.45Å; L666-L670 HydrophobicContact CG-CD1 4.11Å; L666-L670 WeakPolarHBondContact O-CB 3.44Å; L666-L670 VanDerWaalsContact O-CG 3.27Å; L666-L670 WeakPolarHBondContact O-CG 3.31Å; L666-L670 PolarHBondContact O-N 3.09Å; L666-L974 HydrophobicContact CD2-CD2 3.9Å; L666-L974 HydrophobicContact CD2-CG 4.37Å |
| 667 | F | 85.2 | Confident | 87.3 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.2 | -35.2 | 179.9 | -68.3 | -58.5 | 0 | 0 | 0 | 112.9 | F656 S660 S662 N664 H665 L670 S671 P722 L974 | F656-F667 HydrophobicContact CE1-CB 4.39Å; F656-F667 HydrophobicContact CE1-CD1 4.03Å; F656-F667 HydrophobicContact CZ-CD1 4.26Å; S660-F667 WeakPolarHBondContact OG-CD1 3.47Å; S660-F667 WeakPolarHBondContact OG-CD2 3.47Å; S660-F667 WeakPolarHBondContact OG-CG 3.3Å; S662-F667 VanDerWaalsContact CB-CD2 3.48Å; N664-F667 HydrophobicContact CB-CD2 3.9Å; N664-F667 HydrophobicContact CB-CE2 4.33Å; N664-F667 PolarHBondContact O-N 2.9Å; H665-F667 VanDerWaalsContact C-N 3.33Å; H665-F667 PolarHBondContact O-N 2.98Å; F667-L670 HydrophobicContact CD1-CD1 4.32Å; F667-S671 WeakPolarHBondContact O-CB 3.37Å; F667-S671 PolarHBondContact O-N 3.38Å; F667-P722 HydrophobicContact CE1-CG 3.75Å; F667-P722 HydrophobicContact CZ-CB 4.48Å; F667-P722 HydrophobicContact CZ-CG 3.6Å; F667-L974 HydrophobicContact CE2-CD2 4.22Å; F667-L974 HydrophobicContact CZ-CD2 4.45Å |
| 668 | V | 86.7 | Confident | 87.6 | Confident | 34 Ų | 34 | 54.2 Ų | 54.2 | 21% | 0.206 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 173.7 | 177.9 | 0 | 0 | 0 | 0 | 109.3 | N664 H665 S671 Y672 | N664-V668 PolarHBondContact O-N 2.5Å; H665-V668 PolarHBondContact O-N 3.47Å; V668-S671 PolarHBondContact O-N 2.64Å; V668-S671 PolarHBondContact O-OG 3.2Å; V668-Y672 HydrophobicContact CG1-CD2 3.97Å; V668-Y672 HydrophobicContact CG1-CE2 3.5Å; V668-Y672 WeakPolarHBondContact O-CD2 3.11Å; V668-Y672 PolarHBondContact O-N 2.74Å |
| 669 | W | 88.4 | Confident | 87.9 | Confident | 151 Ų | 151 | 50.4 Ų | 50.4 | 57% | 0.572 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.6 | -44.7 | 178.3 | -172.5 | 83.1 | 0 | 0 | 0 | 112.8 | H665 L666 S671 Y672 L673 | H665-W669 WeakPolarHBondContact O-CB 3.34Å; H665-W669 PolarHBondContact O-N 3.13Å; L666-W669 PolarHBondContact O-N 3.12Å; W669-S671 VanDerWaalsContact C-N 3.29Å; W669-S671 PolarHBondContact O-N 2.75Å; W669-Y672 PolarHBondContact O-N 2.97Å; W669-L673 HydrophobicContact CE3-CD2 4.44Å; W669-L673 HydrophobicContact CH2-CD1 4.34Å; W669-L673 HydrophobicContact CH2-CD2 3.81Å; W669-L673 HydrophobicContact CH2-CG 4.5Å; W669-L673 HydrophobicContact CZ3-CD2 3.68Å; W669-L673 WeakPolarHBondContact O-CB 3.35Å; W669-L673 PolarHBondContact O-N 2.75Å |
| 670 | L | 90 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -40 | 175.3 | -76.2 | 171.2 | 0 | 0 | 0 | 112.3 | F656 L666 F667 Y672 L673 F674 L720 | F656-L670 HydrophobicContact CE1-CB 3.99Å; F656-L670 HydrophobicContact CZ-CB 4.28Å; L666-L670 HydrophobicContact CD1-CD1 4.43Å; L666-L670 HydrophobicContact CD1-CG 4.45Å; L666-L670 HydrophobicContact CG-CD1 4.11Å; L666-L670 WeakPolarHBondContact O-CB 3.44Å; L666-L670 VanDerWaalsContact O-CG 3.27Å; L666-L670 WeakPolarHBondContact O-CG 3.31Å; L666-L670 PolarHBondContact O-N 3.09Å; F667-L670 HydrophobicContact CD1-CD1 4.32Å; L670-Y672 PolarHBondContact O-N 3.39Å; L670-L673 PolarHBondContact O-N 3.1Å; L670-F674 WeakPolarHBondContact O-CD2 3.15Å; L670-F674 WeakPolarHBondContact O-CG 3.48Å; L670-F674 PolarHBondContact O-N 3.42Å; L670-L720 HydrophobicContact CD1-CB 4.05Å; L670-L720 HydrophobicContact CD2-CB 4.12Å; L670-L720 HydrophobicContact CD2-CD1 3.82Å |
| 671 | S | 91.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61 | -45.5 | 177.7 | 74.9 | 0 | 0 | 0 | 0 | 111.8 | I653 F667 V668 W669 F674 G675 | I653-S671 WeakPolarHBondContact CG1-O 3.26Å; F667-S671 WeakPolarHBondContact O-CB 3.37Å; F667-S671 PolarHBondContact O-N 3.38Å; V668-S671 PolarHBondContact O-N 2.64Å; V668-S671 PolarHBondContact O-OG 3.2Å; W669-S671 VanDerWaalsContact C-N 3.29Å; W669-S671 PolarHBondContact O-N 2.75Å; S671-F674 PolarHBondContact O-N 3.45Å; S671-G675 PolarHBondContact O-N 3.46Å |
| 672 | Y | 93.7 | Very high | 89.7 | Confident | 124 Ų | 124 | 47.6 Ų | 47.6 | 49% | 0.486 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.3 | -38.1 | 176.9 | -69.5 | -62 | 0 | 0 | 0 | 112.3 | I653 V668 W669 L670 G675 F676 | I653-Y672 HydrophobicContact CD1-CD1 4.09Å; I653-Y672 HydrophobicContact CG2-CD1 4.27Å; I653-Y672 HydrophobicContact CG2-CE1 4.12Å; V668-Y672 HydrophobicContact CG1-CD2 3.97Å; V668-Y672 HydrophobicContact CG1-CE2 3.5Å; V668-Y672 WeakPolarHBondContact O-CD2 3.11Å; V668-Y672 PolarHBondContact O-N 2.74Å; W669-Y672 PolarHBondContact O-N 2.97Å; L670-Y672 PolarHBondContact O-N 3.39Å; Y672-G675 PolarHBondContact O-N 3.39Å; Y672-F676 VanDerWaalsContact O-CB 3.25Å; Y672-F676 WeakPolarHBondContact O-CB 3.45Å; Y672-F676 PolarHBondContact O-N 2.9Å |
| 673 | L | 93.6 | Very high | 90.8 | Very high | 47 Ų | 47 | 50.6 Ų | 50.6 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.2 | -48.6 | 175.7 | -179.9 | 69.7 | 0 | 0 | 0 | 111.1 | W669 L670 F676 I677 | W669-L673 HydrophobicContact CE3-CD2 4.44Å; W669-L673 HydrophobicContact CH2-CD1 4.34Å; W669-L673 HydrophobicContact CH2-CD2 3.81Å; W669-L673 HydrophobicContact CH2-CG 4.5Å; W669-L673 HydrophobicContact CZ3-CD2 3.68Å; W669-L673 WeakPolarHBondContact O-CB 3.35Å; W669-L673 PolarHBondContact O-N 2.75Å; L670-L673 PolarHBondContact O-N 3.1Å; L673-F676 PolarHBondContact O-N 3.26Å; L673-I677 HydrophobicContact CD1-CD1 4.27Å; L673-I677 HydrophobicContact CG-CD1 4.04Å; L673-I677 VanDerWaalsContact O-CG1 3.32Å; L673-I677 WeakPolarHBondContact O-CG1 3.29Å; L673-I677 PolarHBondContact O-N 3.48Å |
| 674 | F | 94.3 | Very high | 92 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 178.4 | -68.3 | -29.4 | 0 | 0 | 0 | 112.4 | F656 L670 S671 F676 I677 I678 L713 V717 V721 I734 | F656-F674 HydrophobicContact CD2-CD2 4.2Å; F656-F674 HydrophobicContact CD2-CE2 4.15Å; F656-F674 HydrophobicContact CE2-CD2 4.23Å; F656-F674 AromaticContact CE2-CE2 3.74Å; F656-F674 HydrophobicContact CE2-CE2 3.74Å; F656-F674 HydrophobicContact CZ-CE2 4.07Å; L670-F674 WeakPolarHBondContact O-CD2 3.15Å; L670-F674 WeakPolarHBondContact O-CG 3.48Å; L670-F674 PolarHBondContact O-N 3.42Å; S671-F674 PolarHBondContact O-N 3.45Å; F674-F676 VanDerWaalsContact C-N 3.32Å; F674-F676 PolarHBondContact O-N 3.35Å; F674-I677 PolarHBondContact O-N 3.06Å; F674-I678 WeakPolarHBondContact O-CG1 3.23Å; F674-I678 PolarHBondContact O-N 2.77Å; F674-L713 HydrophobicContact CD1-CD2 4.13Å; F674-L713 HydrophobicContact CE1-CD2 4.19Å; F674-V717 HydrophobicContact CZ-CG2 4.2Å; F674-V721 HydrophobicContact CE2-CG2 4.5Å; F674-V721 HydrophobicContact CZ-CG2 4.35Å; F674-I734 HydrophobicContact CB-CD1 3.7Å; F674-I734 HydrophobicContact CB-CG2 4.21Å; F674-I734 HydrophobicContact CD1-CG2 4.39Å; F674-I734 HydrophobicContact CD2-CD1 3.77Å; F674-I734 HydrophobicContact CG-CD1 3.91Å; F674-I734 HydrophobicContact CG-CG2 4.32Å |
| 675 | G | 95.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S671 Y672 I678 C679 | S671-G675 PolarHBondContact O-N 3.46Å; Y672-G675 PolarHBondContact O-N 3.39Å; G675-I678 PolarHBondContact O-N 3.23Å; G675-C679 PolarHBondContact O-N 3.22Å |
| 676 | F | 96.4 | Very high | 93.3 | Very high | 127 Ų | 127 | 39.9 Ų | 39.9 | 56% | 0.557 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -63.4 | -43.2 | 175.9 | 178.4 | -102.9 | 0 | 0 | 0 | 112.2 | Y672 L673 F674 I678 C679 L680 | Y672-F676 VanDerWaalsContact O-CB 3.25Å; Y672-F676 WeakPolarHBondContact O-CB 3.45Å; Y672-F676 PolarHBondContact O-N 2.9Å; L673-F676 PolarHBondContact O-N 3.26Å; F674-F676 VanDerWaalsContact C-N 3.32Å; F674-F676 PolarHBondContact O-N 3.35Å; F676-I678 PolarHBondContact O-N 2.91Å; F676-C679 WeakPolarHBondContact O-CB 3.37Å; F676-C679 PolarHBondContact O-N 3.02Å; F676-L680 HydrophobicContact CE1-CD2 4.09Å; F676-L680 HydrophobicContact CZ-CD2 4.33Å; F676-L680 WeakPolarHBondContact O-CB 3.48Å; F676-L680 PolarHBondContact O-N 3.43Å |
| 677 | I | 97.1 | Very high | 93.6 | Very high | 23 Ų | 23 | 38.9 Ų | 38.9 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 177.5 | -68.2 | 168.1 | 0 | 0 | 0 | 111.2 | L673 F674 L680 S681 F705 V709 L713 V738 | L673-I677 HydrophobicContact CD1-CD1 4.27Å; L673-I677 HydrophobicContact CG-CD1 4.04Å; L673-I677 VanDerWaalsContact O-CG1 3.32Å; L673-I677 WeakPolarHBondContact O-CG1 3.29Å; L673-I677 PolarHBondContact O-N 3.48Å; F674-I677 PolarHBondContact O-N 3.06Å; I677-L680 PolarHBondContact O-N 3.35Å; I677-S681 VanDerWaalsContact O-CB 3.31Å; I677-S681 WeakPolarHBondContact O-CB 3.29Å; I677-S681 PolarHBondContact O-N 3.29Å; I677-S681 PolarHBondContact O-OG 3.37Å; I677-F705 HydrophobicContact CG2-CZ 4.39Å; I677-V709 HydrophobicContact CG2-CG1 4.23Å; I677-V709 HydrophobicContact CG2-CG2 4.32Å; I677-L713 HydrophobicContact CD1-CD2 3.6Å; I677-L713 HydrophobicContact CD1-CG 4.49Å; I677-L713 HydrophobicContact CG2-CD1 4.13Å; I677-L713 HydrophobicContact CG2-CD2 4.26Å; I677-L713 HydrophobicContact CG2-CG 4.47Å; I677-V738 HydrophobicContact CG2-CG1 4.07Å; I677-V738 HydrophobicContact CG2-CG2 4.15Å |
| 678 | I | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 174.3 | -66.6 | 165.3 | 0 | 0 | 0 | 110.2 | L648 T649 S652 F674 G675 F676 L680 S681 S682 I734 L737 V738 L741 | L648-I678 HydrophobicContact CB-CG2 4.35Å; T649-I678 HydrophobicContact CG2-CB 4.2Å; T649-I678 HydrophobicContact CG2-CG2 3.89Å; S652-I678 WeakPolarHBondContact OG-CD1 3.26Å; F674-I678 WeakPolarHBondContact O-CG1 3.23Å; F674-I678 PolarHBondContact O-N 2.77Å; G675-I678 PolarHBondContact O-N 3.23Å; F676-I678 PolarHBondContact O-N 2.91Å; I678-L680 PolarHBondContact O-N 3.16Å; I678-S681 PolarHBondContact O-N 2.94Å; I678-S682 WeakPolarHBondContact O-CB 3.33Å; I678-S682 PolarHBondContact O-N 3.21Å; I678-I734 HydrophobicContact CD1-CG1 4.39Å; I678-I734 HydrophobicContact CD1-CG2 4.19Å; I678-I734 HydrophobicContact CG1-CG2 4.37Å; I678-L737 HydrophobicContact CD1-CD2 3.99Å; I678-L737 HydrophobicContact CG1-CD2 4.39Å; I678-V738 HydrophobicContact CG1-CG2 3.81Å; I678-L741 HydrophobicContact CG2-CD1 4.33Å |
| 679 | C | 97.4 | Very high | 93.8 | Very high | 44 Ų | 44 | 38.7 Ų | 38.7 | 30% | 0.297 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.4 | -47.4 | 177.7 | -166.5 | 0 | 0 | 0 | 0 | 111.7 | T649 G675 F676 S682 F683 | T649-C679 HydrophobicContact CG2-CB 3.61Å; G675-C679 PolarHBondContact O-N 3.22Å; F676-C679 WeakPolarHBondContact O-CB 3.37Å; F676-C679 PolarHBondContact O-N 3.02Å; C679-S682 WeakPolarHBondContact O-CB 3.39Å; C679-S682 PolarHBondContact O-N 3.27Å; C679-F683 PolarHBondContact O-N 3.34Å |
| 680 | L | 96.5 | Very high | 93.7 | Very high | 57 Ų | 57 | 36 Ų | 36 | 30% | 0.298 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -68.7 | -36.5 | -178.1 | -175.3 | 57.6 | 0 | 0 | 0 | 111.9 | F676 I677 I678 F683 S684 F705 | F676-L680 HydrophobicContact CE1-CD2 4.09Å; F676-L680 HydrophobicContact CZ-CD2 4.33Å; F676-L680 WeakPolarHBondContact O-CB 3.48Å; F676-L680 PolarHBondContact O-N 3.43Å; I677-L680 PolarHBondContact O-N 3.35Å; I678-L680 PolarHBondContact O-N 3.16Å; L680-F683 PolarHBondContact O-N 3.12Å; L680-S684 WeakPolarHBondContact O-CB 3.46Å; L680-S684 PolarHBondContact O-N 3.45Å; L680-S684 PolarHBondContact O-OG 3.17Å; L680-F705 HydrophobicContact CB-CE2 4.39Å; L680-F705 HydrophobicContact CB-CZ 3.94Å; L680-F705 HydrophobicContact CD2-CD2 3.77Å; L680-F705 HydrophobicContact CD2-CE1 4.42Å; L680-F705 HydrophobicContact CD2-CE2 3.39Å; L680-F705 HydrophobicContact CD2-CG 4.42Å; L680-F705 HydrophobicContact CD2-CZ 3.75Å; L680-F705 HydrophobicContact CG-CD2 4.4Å; L680-F705 HydrophobicContact CG-CE1 4.05Å; L680-F705 HydrophobicContact CG-CE2 3.89Å; L680-F705 HydrophobicContact CG-CZ 3.69Å |
| 681 | S | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -43.1 | 174.3 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | I677 I678 S684 V685 V738 L741 | I677-S681 VanDerWaalsContact O-CB 3.31Å; I677-S681 WeakPolarHBondContact O-CB 3.29Å; I677-S681 PolarHBondContact O-N 3.29Å; I677-S681 PolarHBondContact O-OG 3.37Å; I678-S681 PolarHBondContact O-N 2.94Å; S681-S684 WeakPolarHBondContact O-CB 3.47Å; S681-S684 PolarHBondContact O-N 3.18Å; S681-V685 WeakPolarHBondContact O-CG2 3.48Å; S681-V685 PolarHBondContact O-N 3.35Å; S681-V685 VanDerWaalsContact O-N 3.11Å; S681-V738 WeakPolarHBondContact OG-CG1 3.46Å; S681-L741 WeakPolarHBondContact O-CD2 3.35Å |
| 682 | S | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 176.4 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | F642 I678 C679 S684 V685 Y686 L741 | F642-S682 WeakPolarHBondContact CA-OG 3.16Å; F642-S682 VanDerWaalsContact CD2-OG 3.31Å; F642-S682 WeakPolarHBondContact CD2-OG 3.31Å; F642-S682 PolarHBondContact O-OG 3.37Å; I678-S682 WeakPolarHBondContact O-CB 3.33Å; I678-S682 PolarHBondContact O-N 3.21Å; C679-S682 WeakPolarHBondContact O-CB 3.39Å; C679-S682 PolarHBondContact O-N 3.27Å; S682-S684 VanDerWaalsContact C-N 3.33Å; S682-S684 PolarHBondContact O-N 2.82Å; S682-V685 PolarHBondContact O-N 3.48Å; S682-Y686 PolarHBondContact O-N 3.39Å; S682-L741 VanDerWaalsContact N-CD2 3.31Å |
| 683 | F | 95.4 | Very high | 91.7 | Very high | 104 Ų | 104 | 41.1 Ų | 41.1 | 46% | 0.456 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.7 | -38.9 | 174.7 | -179.3 | -98.1 | 0 | 0 | 0 | 112.4 | F642 C679 L680 V685 Y686 A687 | F642-F683 HydrophobicContact CE2-CB 4.28Å; F642-F683 HydrophobicContact CE2-CD2 4.4Å; C679-F683 PolarHBondContact O-N 3.34Å; L680-F683 PolarHBondContact O-N 3.12Å; F683-V685 PolarHBondContact O-N 3.27Å; F683-Y686 PolarHBondContact O-N 3Å; F683-A687 HydrophobicContact CE1-CB 4.27Å; F683-A687 VanDerWaalsContact O-CB 3.22Å; F683-A687 WeakPolarHBondContact O-CB 3.34Å; F683-A687 PolarHBondContact O-N 3.4Å |
| 684 | S | 94.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -42.5 | -179.9 | -62.9 | 0 | 0 | 0 | 0 | 112.4 | L680 S681 S682 A687 M688 | L680-S684 WeakPolarHBondContact O-CB 3.46Å; L680-S684 PolarHBondContact O-N 3.45Å; L680-S684 PolarHBondContact O-OG 3.17Å; S681-S684 WeakPolarHBondContact O-CB 3.47Å; S681-S684 PolarHBondContact O-N 3.18Å; S682-S684 VanDerWaalsContact C-N 3.33Å; S682-S684 PolarHBondContact O-N 2.82Å; S684-A687 PolarHBondContact O-N 3.42Å; S684-M688 WeakPolarHBondContact O-CB 3.32Å; S684-M688 WeakPolarHBondContact O-CG 3.42Å; S684-M688 PolarHBondContact O-N 2.95Å |
| 685 | V | 93.9 | Very high | 90 | Very high | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.6 | -46 | 175.3 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | P638 V641 S681 S682 F683 M688 S689 L741 | P638-V685 HydrophobicContact CB-CG1 4.45Å; V641-V685 HydrophobicContact CB-CG1 4.42Å; V641-V685 HydrophobicContact CG1-CB 4.44Å; V641-V685 HydrophobicContact CG1-CG1 4.04Å; S681-V685 WeakPolarHBondContact O-CG2 3.48Å; S681-V685 PolarHBondContact O-N 3.35Å; S681-V685 VanDerWaalsContact O-N 3.11Å; S682-V685 PolarHBondContact O-N 3.48Å; F683-V685 PolarHBondContact O-N 3.27Å; V685-M688 PolarHBondContact O-N 3.13Å; V685-S689 PolarHBondContact O-N 3.18Å; V685-L741 HydrophobicContact CG2-CD2 4.03Å; V685-L741 VanDerWaalsContact CG2-O 3.24Å; V685-L741 WeakPolarHBondContact CG2-O 3.4Å |
| 686 | Y | 93.2 | Very high | 89.3 | Confident | 72 Ų | 72 | 49.4 Ų | 49.4 | 28% | 0.282 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 177.1 | -173.6 | -108.6 | 0 | 0 | 0 | 111.9 | F642 S682 F683 M688 S689 F690 | F642-Y686 HydrophobicContact CB-CD2 4.1Å; F642-Y686 HydrophobicContact CB-CG 4.27Å; F642-Y686 HydrophobicContact CD1-CG 4.47Å; F642-Y686 HydrophobicContact CD2-CG 4.32Å; F642-Y686 HydrophobicContact CG-CD2 4.28Å; F642-Y686 HydrophobicContact CG-CG 4.1Å; S682-Y686 PolarHBondContact O-N 3.39Å; F683-Y686 PolarHBondContact O-N 3Å; Y686-M688 PolarHBondContact O-N 2.71Å; Y686-S689 VanDerWaalsContact O-CB 3.3Å; Y686-S689 WeakPolarHBondContact O-CB 3.38Å; Y686-S689 PolarHBondContact O-N 2.95Å; Y686-S689 VanDerWaalsContact O-N 3.16Å; Y686-S689 PolarHBondContact O-OG 3.02Å; Y686-F690 AromaticContact CD1-CE2 3.94Å; Y686-F690 HydrophobicContact CD1-CE2 3.94Å; Y686-F690 AromaticContact CE1-CE2 3.57Å; Y686-F690 HydrophobicContact CE1-CE2 3.57Å; Y686-F690 AromaticContact CE1-CZ 3.89Å; Y686-F690 HydrophobicContact CE1-CZ 3.89Å; Y686-F690 HydrophobicContact CE2-CE2 4.4Å; Y686-F690 HydrophobicContact CE2-CZ 4.44Å; Y686-F690 AromaticContact CZ-CE2 3.82Å; Y686-F690 AromaticContact CZ-CZ 3.75Å; Y686-F690 WeakPolarHBondContact O-CD2 3.27Å |
| 687 | A | 92 | Very high | 88.9 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60 | -45.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F683 S684 S689 F690 I693 L698 I702 | F683-A687 HydrophobicContact CE1-CB 4.27Å; F683-A687 VanDerWaalsContact O-CB 3.22Å; F683-A687 WeakPolarHBondContact O-CB 3.34Å; F683-A687 PolarHBondContact O-N 3.4Å; S684-A687 PolarHBondContact O-N 3.42Å; A687-S689 PolarHBondContact O-N 3.3Å; A687-F690 PolarHBondContact O-N 3.36Å; A687-F690 VanDerWaalsContact O-N 3.16Å; A687-I693 HydrophobicContact CB-CD1 3.94Å; A687-I693 HydrophobicContact CB-CG2 4.46Å; A687-I693 WeakPolarHBondContact O-CB 3.09Å; A687-I693 VanDerWaalsContact O-CD1 3.26Å; A687-I693 WeakPolarHBondContact O-CD1 3.36Å; A687-L698 HydrophobicContact CB-CD2 4.49Å; A687-I702 HydrophobicContact CB-CD1 3.96Å |
| 688 | M | 89.6 | Confident | 88.5 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.7 | -13.7 | 178.3 | -76.3 | -61.1 | -140.7 | 0 | 0 | 114.4 | S684 V685 Y686 F690 I693 R694 K699 I702 H703 F843 | S684-M688 WeakPolarHBondContact O-CB 3.32Å; S684-M688 WeakPolarHBondContact O-CG 3.42Å; S684-M688 PolarHBondContact O-N 2.95Å; V685-M688 PolarHBondContact O-N 3.13Å; Y686-M688 PolarHBondContact O-N 2.71Å; M688-F690 VanDerWaalsContact C-N 3.26Å; M688-F690 PolarHBondContact O-N 3.1Å; M688-I693 HydrophobicContact SD-CG2 4.23Å; M688-R694 HydrophobicContact SD-CG 4.33Å; M688-K699 HydrophobicContact CE-CB 4.09Å; M688-K699 HydrophobicContact CE-CG 3.86Å; M688-I702 HydrophobicContact CE-CB 4.08Å; M688-I702 HydrophobicContact CE-CG2 3.83Å; M688-I702 HydrophobicContact CG-CD1 3.87Å; M688-I702 HydrophobicContact CG-CG2 3.96Å; M688-I702 HydrophobicContact SD-CD1 4.15Å; M688-H703 WeakPolarHBondContact CE-NE2 3.42Å; M688-F843 WeakPolarHBondContact CE-O 3.44Å |
| 689 | S | 86.8 | Confident | 88.2 | Confident | 35 Ų | 35 | 54.1 Ų | 54.1 | 25% | 0.245 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.9 | -26.8 | 172.7 | 79 | 0 | 0 | 0 | 0 | 112.7 | V685 Y686 A687 | V685-S689 PolarHBondContact O-N 3.18Å; Y686-S689 VanDerWaalsContact O-CB 3.3Å; Y686-S689 WeakPolarHBondContact O-CB 3.38Å; Y686-S689 PolarHBondContact O-N 2.95Å; Y686-S689 VanDerWaalsContact O-N 3.16Å; Y686-S689 PolarHBondContact O-OG 3.02Å; A687-S689 PolarHBondContact O-N 3.3Å |
| 690 | F | 86.8 | Confident | 87.8 | Confident | 94 Ų | 94 | 56.9 Ų | 56.9 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -83.2 | 126.5 | 179.1 | -61.5 | -81.9 | 0 | 0 | 0 | 111.9 | Y686 A687 M688 V692 I693 R694 | Y686-F690 AromaticContact CD1-CE2 3.94Å; Y686-F690 HydrophobicContact CD1-CE2 3.94Å; Y686-F690 AromaticContact CE1-CE2 3.57Å; Y686-F690 HydrophobicContact CE1-CE2 3.57Å; Y686-F690 AromaticContact CE1-CZ 3.89Å; Y686-F690 HydrophobicContact CE1-CZ 3.89Å; Y686-F690 HydrophobicContact CE2-CE2 4.4Å; Y686-F690 HydrophobicContact CE2-CZ 4.44Å; Y686-F690 AromaticContact CZ-CE2 3.82Å; Y686-F690 AromaticContact CZ-CZ 3.75Å; Y686-F690 WeakPolarHBondContact O-CD2 3.27Å; A687-F690 PolarHBondContact O-N 3.36Å; A687-F690 VanDerWaalsContact O-N 3.16Å; M688-F690 VanDerWaalsContact C-N 3.26Å; M688-F690 PolarHBondContact O-N 3.1Å; F690-V692 VanDerWaalsContact C-N 3.26Å; F690-V692 PolarHBondContact O-N 3.21Å; F690-I693 HydrophobicContact CB-CD1 4.21Å; F690-I693 HydrophobicContact CB-CG1 4.4Å; F690-I693 HydrophobicContact CD2-CD1 4.26Å; F690-I693 PolarHBondContact O-N 3.04Å; F690-I693 VanDerWaalsContact O-N 3.09Å; F690-R694 PolarHBondContact O-N 2.8Å |
| 691 | S | 76 | Confident | 87.7 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 54% | 0.538 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -35 | -178.7 | -59.1 | 0 | 0 | 0 | 0 | 113.9 | I693 R694 | S691-I693 VanDerWaalsContact C-N 3.31Å; S691-I693 PolarHBondContact O-N 3.14Å; S691-R694 PolarHBondContact O-N 3.09Å; S691-R694 PolarHBondContact OG-NH2 2.72Å |
| 692 | V | 77.8 | Confident | 87.6 | Confident | 120 Ų | 120 | 59.1 Ų | 59.1 | 73% | 0.727 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -38.8 | 178.6 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | F690 R694 T695 G696 | F690-V692 VanDerWaalsContact C-N 3.26Å; F690-V692 PolarHBondContact O-N 3.21Å; V692-R694 PolarHBondContact O-N 3.24Å; V692-T695 PolarHBondContact O-N 3.21Å; V692-T695 PolarHBondContact O-OG1 3.01Å; V692-T695 VanDerWaalsContact O-OG1 3.13Å; V692-G696 PolarHBondContact O-N 3.4Å |
| 693 | I | 78.6 | Confident | 87.6 | Confident | 36 Ų | 36 | 60.5 Ų | 60.5 | 19% | 0.185 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -72 | -32.9 | -177.3 | -69.4 | 173.5 | 0 | 0 | 0 | 111.1 | A687 M688 F690 S691 T695 G696 L698 K699 I702 | A687-I693 HydrophobicContact CB-CD1 3.94Å; A687-I693 HydrophobicContact CB-CG2 4.46Å; A687-I693 WeakPolarHBondContact O-CB 3.09Å; A687-I693 VanDerWaalsContact O-CD1 3.26Å; A687-I693 WeakPolarHBondContact O-CD1 3.36Å; M688-I693 HydrophobicContact SD-CG2 4.23Å; F690-I693 HydrophobicContact CB-CD1 4.21Å; F690-I693 HydrophobicContact CB-CG1 4.4Å; F690-I693 HydrophobicContact CD2-CD1 4.26Å; F690-I693 PolarHBondContact O-N 3.04Å; F690-I693 VanDerWaalsContact O-N 3.09Å; S691-I693 VanDerWaalsContact C-N 3.31Å; S691-I693 PolarHBondContact O-N 3.14Å; I693-T695 PolarHBondContact O-N 2.72Å; I693-T695 VanDerWaalsContact O-N 3.1Å; I693-G696 PolarHBondContact O-N 3.31Å; I693-G696 VanDerWaalsContact O-N 3.17Å; I693-L698 HydrophobicContact CD1-CD2 3.9Å; I693-L698 HydrophobicContact CG1-CD2 4.08Å; I693-L698 HydrophobicContact CG2-CB 4.15Å; I693-L698 HydrophobicContact CG2-CD2 3.81Å; I693-L698 HydrophobicContact CG2-CG 4.04Å; I693-K699 WeakPolarHBondContact O-CB 3.48Å; I693-I702 HydrophobicContact CG2-CD1 4.33Å |
| 694 | R | 74.1 | Confident | 87.6 | Confident | 66 Ų | 66 | 60.6 Ų | 60.6 | 25% | 0.249 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -64.7 | -13.8 | 179.1 | -63.8 | -165.2 | -61.6 | -114.7 | 2.5 | 114.3 | M688 F690 S691 V692 K699 | M688-R694 HydrophobicContact SD-CG 4.33Å; F690-R694 PolarHBondContact O-N 2.8Å; S691-R694 PolarHBondContact O-N 3.09Å; S691-R694 PolarHBondContact OG-NH2 2.72Å; V692-R694 PolarHBondContact O-N 3.24Å; R694-K699 WeakPolarHBondContact O-CD 3.33Å |
| 695 | T | 77.5 | Confident | 87.7 | Confident | 126 Ų | 126 | 62.1 Ų | 62.1 | 77% | 0.773 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -111.3 | -8.1 | 177.4 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | V692 I693 | V692-T695 PolarHBondContact O-N 3.21Å; V692-T695 PolarHBondContact O-OG1 3.01Å; V692-T695 VanDerWaalsContact O-OG1 3.13Å; I693-T695 PolarHBondContact O-N 2.72Å; I693-T695 VanDerWaalsContact O-N 3.1Å |
| 696 | G | 82.7 | Confident | 87.8 | Confident | 32 Ų | 32 | 61.5 Ų | 61.5 | 33% | 0.33 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -95.9 | 178.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | V692 I693 L698 K699 | V692-G696 PolarHBondContact O-N 3.4Å; I693-G696 PolarHBondContact O-N 3.31Å; I693-G696 VanDerWaalsContact O-N 3.17Å; G696-L698 PolarHBondContact O-N 2.87Å; G696-K699 WeakPolarHBondContact O-CB 3.08Å; G696-K699 PolarHBondContact O-N 3.37Å |
| 697 | I | 87.5 | Confident | 87.9 | Confident | 137 Ų | 137 | 63.2 Ų | 63.2 | 70% | 0.703 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.7 | -33.3 | 176.9 | -64.6 | 164.2 | 0 | 0 | 0 | 111.8 | K699 I700 I701 | I697-K699 PolarHBondContact O-N 2.8Å; I697-I700 WeakPolarHBondContact O-CB 3.34Å; I697-I700 PolarHBondContact O-N 3.01Å; I697-I701 HydrophobicContact CG2-CD1 4.3Å; I697-I701 PolarHBondContact O-N 3.37Å |
| 698 | L | 89.1 | Confident | 88.1 | Confident | 65 Ų | 65 | 65.3 Ų | 65.3 | 34% | 0.34 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.9 | -30.3 | -179.8 | -174.5 | 62 | 0 | 0 | 0 | 112.5 | A687 I693 G696 I700 I701 I702 | A687-L698 HydrophobicContact CB-CD2 4.49Å; I693-L698 HydrophobicContact CD1-CD2 3.9Å; I693-L698 HydrophobicContact CG1-CD2 4.08Å; I693-L698 HydrophobicContact CG2-CB 4.15Å; I693-L698 HydrophobicContact CG2-CD2 3.81Å; I693-L698 HydrophobicContact CG2-CG 4.04Å; G696-L698 PolarHBondContact O-N 2.87Å; L698-I700 PolarHBondContact O-N 3.29Å; L698-I701 PolarHBondContact O-N 3.39Å; L698-I702 HydrophobicContact CG-CD1 4.03Å; L698-I702 HydrophobicContact CG-CG1 4.47Å; L698-I702 WeakPolarHBondContact O-CG1 3.49Å; L698-I702 PolarHBondContact O-N 3.34Å |
| 699 | K | 89 | Confident | 88.4 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.5 | -47 | 171.9 | 163.2 | -178.4 | 156.5 | -176.9 | 0 | 111.9 | M688 I693 R694 G696 I697 I701 I702 H703 T847 | M688-K699 HydrophobicContact CE-CB 4.09Å; M688-K699 HydrophobicContact CE-CG 3.86Å; I693-K699 WeakPolarHBondContact O-CB 3.48Å; R694-K699 WeakPolarHBondContact O-CD 3.33Å; G696-K699 WeakPolarHBondContact O-CB 3.08Å; G696-K699 PolarHBondContact O-N 3.37Å; I697-K699 PolarHBondContact O-N 2.8Å; K699-I701 VanDerWaalsContact C-N 3.29Å; K699-I701 PolarHBondContact O-N 3Å; K699-I702 PolarHBondContact O-N 3.37Å; K699-H703 VanDerWaalsContact CE-CE1 3.43Å; K699-H703 WeakPolarHBondContact CE-CE1 3.38Å; K699-H703 WeakPolarHBondContact O-CB 3.39Å; K699-H703 PolarHBondContact O-CD2 3.27Å; K699-H703 VanDerWaalsContact O-CG 3.27Å; K699-H703 PolarHBondContact O-N 2.85Å; K699-T847 HydrophobicContact CD-CG2 4.05Å; K699-T847 WeakPolarHBondContact CE-OG1 3.38Å; K699-T847 PolarHBondContact NZ-OG1 3.11Å |
| 700 | I | 90.9 | Very high | 88.6 | Confident | 102 Ų | 102 | 66 Ų | 66 | 52% | 0.523 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | -178 | -60.6 | 172.6 | 0 | 0 | 0 | 109.7 | I697 L698 H703 I704 | I697-I700 WeakPolarHBondContact O-CB 3.34Å; I697-I700 PolarHBondContact O-N 3.01Å; L698-I700 PolarHBondContact O-N 3.29Å; I700-H703 PolarHBondContact O-N 3.28Å; I700-I704 HydrophobicContact CG2-CD1 3.91Å; I700-I704 HydrophobicContact CG2-CG1 4.5Å; I700-I704 WeakPolarHBondContact O-CG1 3.37Å; I700-I704 PolarHBondContact O-N 2.64Å |
| 701 | I | 94.2 | Very high | 88.9 | Confident | 97 Ų | 97 | 67.1 Ų | 67.1 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | 176.9 | -61.8 | 172.6 | 0 | 0 | 0 | 110.7 | I697 L698 K699 H703 I704 F705 | I697-I701 HydrophobicContact CG2-CD1 4.3Å; I697-I701 PolarHBondContact O-N 3.37Å; L698-I701 PolarHBondContact O-N 3.39Å; K699-I701 VanDerWaalsContact C-N 3.29Å; K699-I701 PolarHBondContact O-N 3Å; I701-H703 VanDerWaalsContact C-N 3.33Å; I701-H703 PolarHBondContact O-N 3.49Å; I701-I704 PolarHBondContact O-N 3.18Å; I701-F705 WeakPolarHBondContact O-CB 3.44Å; I701-F705 PolarHBondContact O-N 3.26Å |
| 702 | I | 94.2 | Very high | 89.8 | Confident | 6 Ų | 6 | 68.4 Ų | 68.4 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 177.9 | -69.1 | 170.3 | 0 | 0 | 0 | 111.3 | A687 M688 I693 L698 K699 F705 S706 C844 | A687-I702 HydrophobicContact CB-CD1 3.96Å; M688-I702 HydrophobicContact CE-CB 4.08Å; M688-I702 HydrophobicContact CE-CG2 3.83Å; M688-I702 HydrophobicContact CG-CD1 3.87Å; M688-I702 HydrophobicContact CG-CG2 3.96Å; M688-I702 HydrophobicContact SD-CD1 4.15Å; I693-I702 HydrophobicContact CG2-CD1 4.33Å; L698-I702 HydrophobicContact CG-CD1 4.03Å; L698-I702 HydrophobicContact CG-CG1 4.47Å; L698-I702 WeakPolarHBondContact O-CG1 3.49Å; L698-I702 PolarHBondContact O-N 3.34Å; K699-I702 PolarHBondContact O-N 3.37Å; I702-F705 PolarHBondContact O-N 3.5Å; I702-S706 VanDerWaalsContact O-CB 3.3Å; I702-S706 WeakPolarHBondContact O-CB 3.34Å; I702-S706 PolarHBondContact O-N 2.57Å; I702-S706 PolarHBondContact O-OG 3.2Å; I702-C844 HydrophobicContact CG2-CB 4.34Å |
| 703 | H | 94.7 | Very high | 90.6 | Very high | 30 Ų | 30 | 62.9 Ų | 62.9 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.8 | -49.4 | 176.9 | -72.7 | -172.5 | 0 | 0 | 0 | 111.2 | M688 K699 I700 I701 F705 S706 W707 F843 C844 | M688-H703 WeakPolarHBondContact CE-NE2 3.42Å; K699-H703 VanDerWaalsContact CE-CE1 3.43Å; K699-H703 WeakPolarHBondContact CE-CE1 3.38Å; K699-H703 WeakPolarHBondContact O-CB 3.39Å; K699-H703 PolarHBondContact O-CD2 3.27Å; K699-H703 VanDerWaalsContact O-CG 3.27Å; K699-H703 PolarHBondContact O-N 2.85Å; I700-H703 PolarHBondContact O-N 3.28Å; I701-H703 VanDerWaalsContact C-N 3.33Å; I701-H703 PolarHBondContact O-N 3.49Å; H703-F705 VanDerWaalsContact C-N 3.32Å; H703-F705 PolarHBondContact O-N 3.04Å; H703-S706 PolarHBondContact O-N 2.92Å; H703-W707 WeakPolarHBondContact O-CB 3.34Å; H703-W707 VanDerWaalsContact O-CD1 3.22Å; H703-W707 PolarHBondContact O-N 2.88Å; H703-F843 PolarHBondContact NE2-O 3.19Å; H703-C844 PolarHBondContact CD2-O 3.15Å |
| 704 | I | 95.6 | Very high | 91.3 | Very high | 105 Ų | 105 | 62.7 Ų | 62.7 | 54% | 0.538 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59 | -46 | 176.6 | -67.6 | 167.7 | 0 | 0 | 0 | 110.2 | I700 I701 S708 | I700-I704 HydrophobicContact CG2-CD1 3.91Å; I700-I704 HydrophobicContact CG2-CG1 4.5Å; I700-I704 WeakPolarHBondContact O-CG1 3.37Å; I700-I704 PolarHBondContact O-N 2.64Å; I701-I704 PolarHBondContact O-N 3.18Å; I704-S708 WeakPolarHBondContact O-CB 3.33Å; I704-S708 PolarHBondContact O-N 2.82Å; I704-S708 PolarHBondContact O-OG 3.41Å |
| 705 | F | 96.5 | Very high | 92.1 | Very high | 36 Ų | 36 | 63.8 Ų | 63.8 | 16% | 0.158 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.5 | -53.1 | 176.8 | 169.2 | -106.3 | 0 | 0 | 0 | 111.7 | I677 L680 I701 I702 H703 W707 S708 V709 L742 | I677-F705 HydrophobicContact CG2-CZ 4.39Å; L680-F705 HydrophobicContact CB-CE2 4.39Å; L680-F705 HydrophobicContact CB-CZ 3.94Å; L680-F705 HydrophobicContact CD2-CD2 3.77Å; L680-F705 HydrophobicContact CD2-CE1 4.42Å; L680-F705 HydrophobicContact CD2-CE2 3.39Å; L680-F705 HydrophobicContact CD2-CG 4.42Å; L680-F705 HydrophobicContact CD2-CZ 3.75Å; L680-F705 HydrophobicContact CG-CD2 4.4Å; L680-F705 HydrophobicContact CG-CE1 4.05Å; L680-F705 HydrophobicContact CG-CE2 3.89Å; L680-F705 HydrophobicContact CG-CZ 3.69Å; I701-F705 WeakPolarHBondContact O-CB 3.44Å; I701-F705 PolarHBondContact O-N 3.26Å; I702-F705 PolarHBondContact O-N 3.5Å; H703-F705 VanDerWaalsContact C-N 3.32Å; H703-F705 PolarHBondContact O-N 3.04Å; F705-W707 PolarHBondContact O-N 2.81Å; F705-S708 PolarHBondContact O-N 3.28Å; F705-V709 HydrophobicContact CD2-CG2 3.7Å; F705-V709 HydrophobicContact CE1-CG2 4.21Å; F705-V709 HydrophobicContact CE2-CG2 3.32Å; F705-V709 HydrophobicContact CG-CG2 4.29Å; F705-V709 HydrophobicContact CZ-CG2 3.62Å; F705-V709 WeakPolarHBondContact O-CB 3.36Å; F705-V709 WeakPolarHBondContact O-CG2 3.14Å; F705-V709 PolarHBondContact O-N 3.14Å; F705-L742 HydrophobicContact CE1-CD2 4.29Å |
| 706 | S | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -45.5 | -176 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | I702 H703 I710 C844 F845 | I702-S706 VanDerWaalsContact O-CB 3.3Å; I702-S706 WeakPolarHBondContact O-CB 3.34Å; I702-S706 PolarHBondContact O-N 2.57Å; I702-S706 PolarHBondContact O-OG 3.2Å; H703-S706 PolarHBondContact O-N 2.92Å; S706-I710 PolarHBondContact O-N 2.91Å; S706-C844 WeakPolarHBondContact CB-O 3.46Å; S706-C844 PolarHBondContact OG-O 3.5Å; S706-F845 WeakPolarHBondContact O-CE1 3.27Å |
| 707 | W | 96.1 | Very high | 93.1 | Very high | 109 Ų | 109 | 57.1 Ų | 57.1 | 41% | 0.413 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 175.8 | -78.8 | 109.1 | 0 | 0 | 0 | 112.8 | H703 F705 F845 L853 L857 | H703-W707 WeakPolarHBondContact O-CB 3.34Å; H703-W707 VanDerWaalsContact O-CD1 3.22Å; H703-W707 PolarHBondContact O-N 2.88Å; F705-W707 PolarHBondContact O-N 2.81Å; W707-F845 AromaticContact CD2-CD1 4Å; W707-F845 HydrophobicContact CD2-CD1 4Å; W707-F845 AromaticContact CE2-CD1 3.87Å; W707-F845 HydrophobicContact CE3-CD1 4.49Å; W707-F845 HydrophobicContact CG-CD1 4.26Å; W707-F845 HydrophobicContact CZ2-CB 4.33Å; W707-F845 HydrophobicContact CZ2-CD1 4.28Å; W707-F845 PolarHBondContact NE1-O 3.33Å; W707-L853 HydrophobicContact CH2-CD1 4.14Å; W707-L853 HydrophobicContact CZ2-CD1 4.33Å; W707-L857 HydrophobicContact CH2-CD2 4.44Å |
| 708 | S | 96.4 | Very high | 93.2 | Very high | 45 Ų | 45 | 52 Ų | 52 | 32% | 0.315 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 178.5 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | I704 F705 I710 I711 L712 | I704-S708 WeakPolarHBondContact O-CB 3.33Å; I704-S708 PolarHBondContact O-N 2.82Å; I704-S708 PolarHBondContact O-OG 3.41Å; F705-S708 PolarHBondContact O-N 3.28Å; S708-I710 PolarHBondContact O-N 2.95Å; S708-I711 PolarHBondContact O-N 3.09Å; S708-L712 WeakPolarHBondContact O-CB 3.39Å; S708-L712 VanDerWaalsContact O-CG 3.26Å; S708-L712 WeakPolarHBondContact O-CG 3.34Å; S708-L712 PolarHBondContact O-N 2.69Å |
| 709 | V | 95.1 | Very high | 93 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -38.9 | -177.1 | 164.6 | 0 | 0 | 0 | 0 | 112.5 | I677 F705 I711 L713 V738 | I677-V709 HydrophobicContact CG2-CG1 4.23Å; I677-V709 HydrophobicContact CG2-CG2 4.32Å; F705-V709 HydrophobicContact CD2-CG2 3.7Å; F705-V709 HydrophobicContact CE1-CG2 4.21Å; F705-V709 HydrophobicContact CE2-CG2 3.32Å; F705-V709 HydrophobicContact CG-CG2 4.29Å; F705-V709 HydrophobicContact CZ-CG2 3.62Å; F705-V709 WeakPolarHBondContact O-CB 3.36Å; F705-V709 WeakPolarHBondContact O-CG2 3.14Å; F705-V709 PolarHBondContact O-N 3.14Å; V709-I711 PolarHBondContact O-N 3.18Å; V709-L713 HydrophobicContact CG1-CD1 3.43Å; V709-L713 VanDerWaalsContact CG1-CD1 3.43Å; V709-L713 HydrophobicContact CG1-CG 3.9Å; V709-L713 WeakPolarHBondContact O-CB 3.15Å; V709-L713 PolarHBondContact O-N 3.26Å; V709-V738 HydrophobicContact CG1-CB 4.44Å; V709-V738 HydrophobicContact CG1-CG1 3.36Å |
| 710 | I | 92.5 | Very high | 92.9 | Very high | 46 Ų | 46 | 49.9 Ų | 49.9 | 24% | 0.236 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.4 | -34.5 | 176.6 | -74.4 | -174.5 | 0 | 0 | 0 | 111.8 | S706 S708 P714 P739 F845 | S706-I710 PolarHBondContact O-N 2.91Å; S708-I710 PolarHBondContact O-N 2.95Å; I710-P714 WeakPolarHBondContact O-CD 3.34Å; I710-P714 VanDerWaalsContact O-CG 3.26Å; I710-P714 WeakPolarHBondContact O-CG 3.46Å; I710-P739 HydrophobicContact CG1-CG 4.35Å; I710-F845 HydrophobicContact CD1-CD1 4.29Å; I710-F845 HydrophobicContact CD1-CE1 3.29Å; I710-F845 HydrophobicContact CD1-CZ 3.57Å; I710-F845 HydrophobicContact CG1-CE1 3.99Å; I710-F845 HydrophobicContact CG1-CZ 4.16Å |
| 711 | I | 92.8 | Very high | 92.7 | Very high | 117 Ų | 117 | 45 Ų | 45 | 60% | 0.6 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -92 | -46.4 | -178.1 | -61.5 | 172.9 | 0 | 0 | 0 | 111.2 | S708 V709 P714 L715 | S708-I711 PolarHBondContact O-N 3.09Å; V709-I711 PolarHBondContact O-N 3.18Å; I711-P714 WeakPolarHBondContact O-CD 3.31Å; I711-L715 WeakPolarHBondContact O-CB 3.39Å; I711-L715 PolarHBondContact O-N 3.35Å |
| 712 | L | 94.3 | Very high | 92 | Very high | 103 Ų | 103 | 41.3 Ų | 41.3 | 54% | 0.539 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.9 | -33.9 | -171.8 | -67.4 | 176 | 0 | 0 | 0 | 113.1 | S708 L715 S716 | S708-L712 WeakPolarHBondContact O-CB 3.39Å; S708-L712 VanDerWaalsContact O-CG 3.26Å; S708-L712 WeakPolarHBondContact O-CG 3.34Å; S708-L712 PolarHBondContact O-N 2.69Å; L712-L715 PolarHBondContact O-N 2.82Å; L712-S716 WeakPolarHBondContact O-CB 3.47Å; L712-S716 PolarHBondContact O-N 3.46Å |
| 713 | L | 93.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.4 | -54.9 | 179.4 | -80.9 | -179.3 | 0 | 0 | 0 | 112.5 | F674 I677 V709 L715 S716 V717 V735 V738 | F674-L713 HydrophobicContact CD1-CD2 4.13Å; F674-L713 HydrophobicContact CE1-CD2 4.19Å; I677-L713 HydrophobicContact CD1-CD2 3.6Å; I677-L713 HydrophobicContact CD1-CG 4.49Å; I677-L713 HydrophobicContact CG2-CD1 4.13Å; I677-L713 HydrophobicContact CG2-CD2 4.26Å; I677-L713 HydrophobicContact CG2-CG 4.47Å; V709-L713 HydrophobicContact CG1-CD1 3.43Å; V709-L713 VanDerWaalsContact CG1-CD1 3.43Å; V709-L713 HydrophobicContact CG1-CG 3.9Å; V709-L713 WeakPolarHBondContact O-CB 3.15Å; V709-L713 PolarHBondContact O-N 3.26Å; L713-L715 VanDerWaalsContact C-N 3.26Å; L713-L715 PolarHBondContact O-N 2.9Å; L713-S716 PolarHBondContact O-N 3.47Å; L713-S716 VanDerWaalsContact O-N 3.15Å; L713-S716 PolarHBondContact O-OG 3.44Å; L713-V717 PolarHBondContact O-N 3.21Å; L713-V735 HydrophobicContact CB-CG2 4.06Å; L713-V738 HydrophobicContact CD1-CB 3.63Å; L713-V738 HydrophobicContact CD1-CG1 3.78Å; L713-V738 HydrophobicContact CD1-CG2 3.85Å |
| 714 | P | 93.4 | Very high | 91 | Very high | 32 Ų | 32 | 47 Ų | 47 | 21% | 0.208 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.3 | -44.3 | 174 | -23.9 | 28.7 | 0 | 0 | 0 | 112.7 | I710 I711 S716 V717 I718 W732 V735 | I710-P714 WeakPolarHBondContact O-CD 3.34Å; I710-P714 VanDerWaalsContact O-CG 3.26Å; I710-P714 WeakPolarHBondContact O-CG 3.46Å; I711-P714 WeakPolarHBondContact O-CD 3.31Å; P714-S716 VanDerWaalsContact C-N 3.33Å; P714-S716 PolarHBondContact O-N 3.22Å; P714-V717 PolarHBondContact O-N 3.48Å; P714-I718 VanDerWaalsContact O-CG1 3.32Å; P714-I718 WeakPolarHBondContact O-CG1 3.44Å; P714-I718 PolarHBondContact O-N 2.77Å; P714-W732 HydrophobicContact CB-CH2 4.08Å; P714-W732 HydrophobicContact CB-CZ3 3.84Å; P714-V735 HydrophobicContact CB-CG1 4.35Å; P714-V735 HydrophobicContact CG-CG1 3.69Å |
| 715 | L | 91 | Very high | 90.6 | Very high | 88 Ų | 88 | 42 Ų | 42 | 46% | 0.461 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 179.9 | -174.4 | 63.7 | 0 | 0 | 0 | 111.7 | I711 L712 L713 V717 I718 V719 | I711-L715 WeakPolarHBondContact O-CB 3.39Å; I711-L715 PolarHBondContact O-N 3.35Å; L712-L715 PolarHBondContact O-N 2.82Å; L713-L715 VanDerWaalsContact C-N 3.26Å; L713-L715 PolarHBondContact O-N 2.9Å; L715-V717 VanDerWaalsContact C-N 3.33Å; L715-V717 PolarHBondContact O-N 3.19Å; L715-I718 PolarHBondContact O-N 3.17Å; L715-V719 HydrophobicContact CD1-CG2 3.9Å; L715-V719 HydrophobicContact CG-CG2 4.31Å; L715-V719 WeakPolarHBondContact O-CB 3.35Å; L715-V719 WeakPolarHBondContact O-CG2 3.48Å; L715-V719 PolarHBondContact O-N 3.31Å |
| 716 | S | 90.5 | Very high | 90.3 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -39.6 | 177.1 | 76.6 | 0 | 0 | 0 | 0 | 112.2 | L712 L713 P714 L720 | L712-S716 WeakPolarHBondContact O-CB 3.47Å; L712-S716 PolarHBondContact O-N 3.46Å; L713-S716 PolarHBondContact O-N 3.47Å; L713-S716 VanDerWaalsContact O-N 3.15Å; L713-S716 PolarHBondContact O-OG 3.44Å; P714-S716 VanDerWaalsContact C-N 3.33Å; P714-S716 PolarHBondContact O-N 3.22Å; S716-L720 WeakPolarHBondContact O-CA 3.18Å; S716-L720 VanDerWaalsContact O-CB 3.24Å; S716-L720 WeakPolarHBondContact O-CB 3.2Å; S716-L720 PolarHBondContact O-N 2.92Å |
| 717 | V | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.1 | -44.8 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | F674 L713 P714 L715 V719 V721 R728 W732 V735 | F674-V717 HydrophobicContact CZ-CG2 4.2Å; L713-V717 PolarHBondContact O-N 3.21Å; P714-V717 PolarHBondContact O-N 3.48Å; L715-V717 VanDerWaalsContact C-N 3.33Å; L715-V717 PolarHBondContact O-N 3.19Å; V717-V719 PolarHBondContact O-N 2.86Å; V717-V721 HydrophobicContact CB-CG2 4.42Å; V717-V721 HydrophobicContact CG1-CB 4.25Å; V717-V721 HydrophobicContact CG1-CG2 4.32Å; V717-V721 HydrophobicContact CG2-CG2 4.49Å; V717-V721 WeakPolarHBondContact O-CB 3.48Å; V717-V721 PolarHBondContact O-N 3.39Å; V717-R728 PolarHBondContact O-NH2 2.96Å; V717-W732 HydrophobicContact CG1-CD2 4Å; V717-W732 HydrophobicContact CG1-CG 4.19Å; V717-W732 HydrophobicContact CG1-CZ2 4.31Å; V717-V735 HydrophobicContact CG2-CG2 3.67Å |
| 718 | I | 89 | Confident | 89.8 | Confident | 29 Ų | 29 | 35.1 Ų | 35.1 | 15% | 0.149 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | -179.6 | -72.6 | 168.9 | 0 | 0 | 0 | 111.9 | P714 L715 R728 W732 F963 V965 | P714-I718 VanDerWaalsContact O-CG1 3.32Å; P714-I718 WeakPolarHBondContact O-CG1 3.44Å; P714-I718 PolarHBondContact O-N 2.77Å; L715-I718 PolarHBondContact O-N 3.17Å; I718-R728 PolarHBondContact O-NH2 3.24Å; I718-W732 HydrophobicContact CD1-CH2 4.07Å; I718-W732 HydrophobicContact CD1-CZ2 4.31Å; I718-W732 HydrophobicContact CG1-CH2 4.04Å; I718-W732 HydrophobicContact CG1-CZ2 3.84Å; I718-F963 HydrophobicContact CB-CD1 4.47Å; I718-F963 HydrophobicContact CD1-CD1 4.12Å; I718-F963 HydrophobicContact CD1-CE1 4.37Å; I718-F963 HydrophobicContact CG1-CD1 4.13Å; I718-F963 HydrophobicContact CG2-CD1 3.57Å; I718-F963 HydrophobicContact CG2-CE1 3.61Å; I718-V965 HydrophobicContact CG2-CG2 3.84Å |
| 719 | V | 86.6 | Confident | 89.7 | Confident | 34 Ų | 34 | 33 Ų | 33 | 21% | 0.206 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -87.9 | -44.4 | -172.5 | 178.1 | 0 | 0 | 0 | 0 | 112.5 | L715 V717 V965 | L715-V719 HydrophobicContact CD1-CG2 3.9Å; L715-V719 HydrophobicContact CG-CG2 4.31Å; L715-V719 WeakPolarHBondContact O-CB 3.35Å; L715-V719 WeakPolarHBondContact O-CG2 3.48Å; L715-V719 PolarHBondContact O-N 3.31Å; V717-V719 PolarHBondContact O-N 2.86Å; V719-V965 HydrophobicContact CG2-CB 4.47Å; V719-V965 HydrophobicContact CG2-CG2 4.1Å |
| 720 | L | 85.4 | Confident | 89.6 | Confident | 36 Ų | 36 | 33.2 Ų | 33.2 | 19% | 0.188 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -100.9 | -26.9 | -167 | -53.6 | 173.6 | 0 | 0 | 0 | 113.6 | L670 S716 L973 | L670-L720 HydrophobicContact CD1-CB 4.05Å; L670-L720 HydrophobicContact CD2-CB 4.12Å; L670-L720 HydrophobicContact CD2-CD1 3.82Å; S716-L720 WeakPolarHBondContact O-CA 3.18Å; S716-L720 VanDerWaalsContact O-CB 3.24Å; S716-L720 WeakPolarHBondContact O-CB 3.2Å; S716-L720 PolarHBondContact O-N 2.92Å; L720-L973 HydrophobicContact CD2-CD1 3.79Å |
| 721 | V | 86.5 | Confident | 89.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -87.4 | 129.5 | -177.6 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | F656 F674 V717 P727 R728 | F656-V721 HydrophobicContact CE2-CG2 4.42Å; F656-V721 HydrophobicContact CZ-CG2 4.3Å; F674-V721 HydrophobicContact CE2-CG2 4.5Å; F674-V721 HydrophobicContact CZ-CG2 4.35Å; V717-V721 HydrophobicContact CB-CG2 4.42Å; V717-V721 HydrophobicContact CG1-CB 4.25Å; V717-V721 HydrophobicContact CG1-CG2 4.32Å; V717-V721 HydrophobicContact CG2-CG2 4.49Å; V717-V721 WeakPolarHBondContact O-CB 3.48Å; V717-V721 PolarHBondContact O-N 3.39Å; V721-P727 HydrophobicContact CG1-CB 3.73Å; V721-R728 HydrophobicContact CG1-CG 4.15Å; V721-R728 VanDerWaalsContact O-CZ 3.25Å; V721-R728 PolarHBondContact O-NE 3.1Å; V721-R728 PolarHBondContact O-NH2 3.38Å |
| 722 | P | 81 | Confident | 89.8 | Confident | 19 Ų | 19 | 26.1 Ų | 26.1 | 12% | 0.123 | 14% | 0.137 | C | C | . | . | trans | -66.7 | 158.6 | -178.9 | 29.9 | -38.9 | 0 | 0 | 0 | 111.1 | F667 R724 P727 R728 | F667-P722 HydrophobicContact CE1-CG 3.75Å; F667-P722 HydrophobicContact CZ-CB 4.48Å; F667-P722 HydrophobicContact CZ-CG 3.6Å; P722-R724 HydrophobicContact CB-CG 4.48Å; P722-R724 PolarHBondContact O-N 3.15Å; P722-P727 HydrophobicContact CG-CB 4.46Å; P722-R728 WeakPolarHBondContact O-CG 3.19Å; P722-R728 PolarHBondContact O-NE 2.88Å | ||
| 723 | T | 82.6 | Confident | 89.9 | Confident | 53 Ų | 53 | 22 Ų | 22 | 33% | 0.325 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -75.3 | 40.3 | 175.6 | 46.4 | 0 | 0 | 0 | 0 | 113.1 | T785 | T723-T785 WeakPolarHBondContact CB-OG1 3.36Å; T723-T785 PolarHBondContact O-N 3.04Å; T723-T785 VanDerWaalsContact O-N 3.15Å; T723-T785 PolarHBondContact O-OG1 3.07Å |
| 724 | R | 85.2 | Confident | 90 | Very high | 102 Ų | 102 | 22 Ų | 22 | 39% | 0.385 | 12% | 0.116 | S | C | . | . | B | Isolated β-bridge | trans | -94.2 | 138 | 167.4 | -65.7 | -176.8 | -167.3 | 165.2 | 2.1 | 108.5 | P722 G726 P727 R728 | P722-R724 HydrophobicContact CB-CG 4.48Å; P722-R724 PolarHBondContact O-N 3.15Å; R724-G726 VanDerWaalsContact C-N 3.35Å; R724-G726 PolarHBondContact O-N 2.98Å; R724-P727 HydrophobicContact CB-CG 4.28Å; R724-P727 WeakPolarHBondContact O-CD 3.44Å; R724-R728 WeakPolarHBondContact O-CB 3.45Å; R724-R728 WeakPolarHBondContact O-CG 3.21Å; R724-R728 PolarHBondContact O-N 2.83Å |
| 725 | L | 86.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.2 | -49.9 | -171.2 | -171 | 67.9 | 0 | 0 | 0 | 111.9 | R728 M729 F763 L783 T785 A875 H879 L961 | L725-R728 PolarHBondContact O-N 3.1Å; L725-M729 HydrophobicContact CD1-CG 4.48Å; L725-M729 HydrophobicContact CD1-SD 4.04Å; L725-M729 HydrophobicContact CD2-SD 4.34Å; L725-M729 HydrophobicContact CG-CG 4.49Å; L725-M729 HydrophobicContact CG-SD 3.67Å; L725-M729 WeakPolarHBondContact O-CB 3.5Å; L725-M729 WeakPolarHBondContact O-CG 3.25Å; L725-M729 PolarHBondContact O-N 3.32Å; L725-F763 HydrophobicContact CD2-CE2 3.81Å; L725-F763 HydrophobicContact CD2-CZ 3.46Å; L725-F763 VanDerWaalsContact CD2-CZ 3.46Å; L725-F763 HydrophobicContact CG-CZ 4.31Å; L725-L783 HydrophobicContact CB-CB 4.24Å; L725-L783 VanDerWaalsContact CB-O 3.25Å; L725-L783 WeakPolarHBondContact CB-O 3.44Å; L725-L783 HydrophobicContact CD2-CB 4.07Å; L725-L783 HydrophobicContact CD2-CD1 4.27Å; L725-L783 PolarHBondContact N-O 3.12Å; L725-T785 HydrophobicContact CB-CG2 4.37Å; L725-T785 HydrophobicContact CD1-CG2 4.15Å; L725-A875 HydrophobicContact CD1-CB 3.81Å; L725-H879 VanDerWaalsContact CD2-CD2 3.46Å; L725-H879 WeakPolarHBondContact CD2-CD2 3.45Å; L725-L961 HydrophobicContact CD1-CD1 4.34Å; L725-L961 HydrophobicContact CD1-CD2 4.33Å |
| 726 | G | 89.5 | Confident | 90.4 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.8 | -63.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V659 R724 R728 M729 I730 W781 | V659-G726 WeakPolarHBondContact CG1-O 3.34Å; R724-G726 VanDerWaalsContact C-N 3.35Å; R724-G726 PolarHBondContact O-N 2.98Å; G726-R728 PolarHBondContact O-N 2.81Å; G726-M729 PolarHBondContact O-N 2.72Å; G726-I730 PolarHBondContact O-N 3.14Å; G726-I730 VanDerWaalsContact O-N 3.12Å; G726-W781 PolarHBondContact N-O 3Å |
| 727 | P | 90.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.8 | -33.3 | -178.7 | -27.9 | 37.9 | 0 | 0 | 0 | 112.9 | F656 V659 V721 P722 R724 G731 | F656-P727 HydrophobicContact CE2-CB 4.29Å; V659-P727 HydrophobicContact CG1-CG 4.28Å; V721-P727 HydrophobicContact CG1-CB 3.73Å; P722-P727 HydrophobicContact CG-CB 4.46Å; R724-P727 HydrophobicContact CB-CG 4.28Å; R724-P727 WeakPolarHBondContact O-CD 3.44Å; P727-G731 PolarHBondContact O-N 2.85Å |
| 728 | R | 92 | Very high | 91 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.5 | -45.9 | 176.1 | -77.4 | -78.4 | 176.8 | 151.7 | -6.5 | 112.6 | V717 I718 V721 P722 R724 L725 G726 I730 G731 W732 M960 L961 F963 | V717-R728 PolarHBondContact O-NH2 2.96Å; I718-R728 PolarHBondContact O-NH2 3.24Å; V721-R728 HydrophobicContact CG1-CG 4.15Å; V721-R728 VanDerWaalsContact O-CZ 3.25Å; V721-R728 PolarHBondContact O-NE 3.1Å; V721-R728 PolarHBondContact O-NH2 3.38Å; P722-R728 WeakPolarHBondContact O-CG 3.19Å; P722-R728 PolarHBondContact O-NE 2.88Å; R724-R728 WeakPolarHBondContact O-CB 3.45Å; R724-R728 WeakPolarHBondContact O-CG 3.21Å; R724-R728 PolarHBondContact O-N 2.83Å; L725-R728 PolarHBondContact O-N 3.1Å; G726-R728 PolarHBondContact O-N 2.81Å; R728-I730 PolarHBondContact O-N 3.11Å; R728-G731 PolarHBondContact O-N 3.12Å; R728-W732 PolarHBondContact O-N 3.04Å; R728-M960 PolarHBondContact NH1-O 3.24Å; R728-L961 HydrophobicContact CB-CD2 4Å; R728-F963 PolarHBondContact NH1-O 3.39Å; R728-F963 PolarHBondContact NH2-O 2.88Å |
| 729 | M | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | 177.5 | -72.4 | 168.8 | 73.8 | 0 | 0 | 111 | L725 G726 W732 T733 Y760 F763 I872 A875 L961 | L725-M729 HydrophobicContact CD1-CG 4.48Å; L725-M729 HydrophobicContact CD1-SD 4.04Å; L725-M729 HydrophobicContact CD2-SD 4.34Å; L725-M729 HydrophobicContact CG-CG 4.49Å; L725-M729 HydrophobicContact CG-SD 3.67Å; L725-M729 WeakPolarHBondContact O-CB 3.5Å; L725-M729 WeakPolarHBondContact O-CG 3.25Å; L725-M729 PolarHBondContact O-N 3.32Å; G726-M729 PolarHBondContact O-N 2.72Å; M729-W732 PolarHBondContact O-N 3.32Å; M729-T733 WeakPolarHBondContact O-CB 3.43Å; M729-T733 PolarHBondContact O-N 3.25Å; M729-T733 PolarHBondContact O-OG1 3.25Å; M729-Y760 VanDerWaalsContact C-OH 3.24Å; M729-Y760 HydrophobicContact CB-CE1 4.17Å; M729-Y760 HydrophobicContact CE-CD1 4.14Å; M729-Y760 HydrophobicContact CE-CE1 3.78Å; M729-Y760 PolarHBondContact O-OH 3.22Å; M729-F763 HydrophobicContact CE-CB 4.4Å; M729-F763 HydrophobicContact CE-CD1 3.8Å; M729-F763 HydrophobicContact CE-CD2 3.81Å; M729-F763 HydrophobicContact CE-CE1 4.04Å; M729-F763 HydrophobicContact CE-CE2 4.04Å; M729-F763 HydrophobicContact CE-CG 3.71Å; M729-F763 HydrophobicContact CE-CZ 4.17Å; M729-F763 HydrophobicContact SD-CD2 4.46Å; M729-F763 HydrophobicContact SD-CE1 4.21Å; M729-F763 HydrophobicContact SD-CE2 4.09Å; M729-F763 HydrophobicContact SD-CZ 3.98Å; M729-I872 HydrophobicContact CB-CD1 4.49Å; M729-I872 HydrophobicContact CE-CD1 3.24Å; M729-I872 HydrophobicContact CE-CG1 4.47Å; M729-I872 HydrophobicContact CE-CG2 4.18Å; M729-I872 HydrophobicContact CG-CD1 4.47Å; M729-A875 HydrophobicContact CE-CB 4.12Å; M729-A875 HydrophobicContact CG-CB 4.48Å; M729-A875 HydrophobicContact SD-CB 3.9Å; M729-L961 HydrophobicContact CG-CD2 3.99Å |
| 730 | I | 93.8 | Very high | 91.7 | Very high | 14 Ų | 14 | 15.1 Ų | 15.1 | 7% | 0.072 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 178 | -66.5 | -178 | 0 | 0 | 0 | 111 | S655 F656 V659 G726 R728 W732 T733 I734 Y760 | S655-I730 VanDerWaalsContact O-CD1 3.31Å; S655-I730 WeakPolarHBondContact O-CD1 3.24Å; F656-I730 HydrophobicContact CB-CG2 4.13Å; F656-I730 HydrophobicContact CD2-CB 4.27Å; F656-I730 HydrophobicContact CD2-CG2 3.83Å; F656-I730 HydrophobicContact CG-CG2 4.49Å; V659-I730 HydrophobicContact CB-CD1 3.75Å; V659-I730 HydrophobicContact CG1-CD1 4.12Å; V659-I730 HydrophobicContact CG2-CD1 3.49Å; V659-I730 VanDerWaalsContact CG2-CD1 3.49Å; G726-I730 PolarHBondContact O-N 3.14Å; G726-I730 VanDerWaalsContact O-N 3.12Å; R728-I730 PolarHBondContact O-N 3.11Å; I730-W732 VanDerWaalsContact C-N 3.33Å; I730-W732 PolarHBondContact O-N 2.77Å; I730-T733 WeakPolarHBondContact O-CB 3.42Å; I730-T733 PolarHBondContact O-N 3.38Å; I730-T733 VanDerWaalsContact O-N 3.12Å; I730-I734 HydrophobicContact CG2-CD1 3.97Å; I730-I734 HydrophobicContact CG2-CG1 4.48Å; I730-I734 WeakPolarHBondContact O-CG1 3.48Å; I730-I734 PolarHBondContact O-N 3.29Å; I730-Y760 PolarHBondContact N-OH 2.89Å |
| 731 | G | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -53.6 | -50.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P727 R728 I734 V735 | P727-G731 PolarHBondContact O-N 2.85Å; R728-G731 PolarHBondContact O-N 3.12Å; G731-I734 PolarHBondContact O-N 2.86Å; G731-V735 WeakPolarHBondContact O-CG2 3.49Å; G731-V735 PolarHBondContact O-N 3.21Å; G731-V735 VanDerWaalsContact O-N 3.09Å |
| 732 | W | 95.5 | Very high | 92.7 | Very high | 15 Ų | 15 | 13.6 Ų | 13.6 | 6% | 0.057 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -69.9 | -30.2 | 177.1 | -71.8 | 120.7 | 0 | 0 | 0 | 114.2 | P714 V717 I718 R728 M729 I730 I734 V735 Y736 V871 M960 | P714-W732 HydrophobicContact CB-CH2 4.08Å; P714-W732 HydrophobicContact CB-CZ3 3.84Å; V717-W732 HydrophobicContact CG1-CD2 4Å; V717-W732 HydrophobicContact CG1-CG 4.19Å; V717-W732 HydrophobicContact CG1-CZ2 4.31Å; I718-W732 HydrophobicContact CD1-CH2 4.07Å; I718-W732 HydrophobicContact CD1-CZ2 4.31Å; I718-W732 HydrophobicContact CG1-CH2 4.04Å; I718-W732 HydrophobicContact CG1-CZ2 3.84Å; R728-W732 PolarHBondContact O-N 3.04Å; M729-W732 PolarHBondContact O-N 3.32Å; I730-W732 VanDerWaalsContact C-N 3.33Å; I730-W732 PolarHBondContact O-N 2.77Å; W732-I734 VanDerWaalsContact C-N 3.25Å; W732-I734 PolarHBondContact O-N 2.78Å; W732-V735 HydrophobicContact CE3-CB 3.78Å; W732-V735 HydrophobicContact CE3-CG1 3.75Å; W732-V735 HydrophobicContact CE3-CG2 3.75Å; W732-V735 HydrophobicContact CZ3-CB 4.34Å; W732-V735 HydrophobicContact CZ3-CG1 3.87Å; W732-V735 HydrophobicContact CZ3-CG2 4.19Å; W732-V735 WeakPolarHBondContact O-CB 3.45Å; W732-V735 PolarHBondContact O-N 2.9Å; W732-Y736 WeakPolarHBondContact O-CD2 3.38Å; W732-Y736 PolarHBondContact O-N 3Å; W732-Y736 VanDerWaalsContact O-N 3.13Å; W732-V871 HydrophobicContact CB-CG1 4.39Å; W732-V871 HydrophobicContact CB-CG2 4.37Å; W732-M960 HydrophobicContact CB-CE 4.25Å; W732-M960 HydrophobicContact CD2-CB 4.29Å; W732-M960 HydrophobicContact CD2-CE 3.25Å; W732-M960 HydrophobicContact CE3-CE 3.03Å; W732-M960 HydrophobicContact CG-CE 3.79Å; W732-M960 HydrophobicContact CH2-CE 3.8Å; W732-M960 HydrophobicContact CH2-CG 4.19Å; W732-M960 HydrophobicContact CZ2-CB 3.85Å; W732-M960 HydrophobicContact CZ2-CE 4Å; W732-M960 HydrophobicContact CZ2-CG 3.95Å; W732-M960 HydrophobicContact CZ3-CE 3.32Å; W732-M960 PolarHBondContact NE1-O 2.79Å |
| 733 | T | 96.3 | Very high | 93.2 | Very high | 16 Ų | 16 | 12.8 Ų | 12.8 | 10% | 0.098 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.8 | -42.3 | 171.7 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | M729 I730 Y736 L737 F752 Y760 F868 | M729-T733 WeakPolarHBondContact O-CB 3.43Å; M729-T733 PolarHBondContact O-N 3.25Å; M729-T733 PolarHBondContact O-OG1 3.25Å; I730-T733 WeakPolarHBondContact O-CB 3.42Å; I730-T733 PolarHBondContact O-N 3.38Å; I730-T733 VanDerWaalsContact O-N 3.12Å; T733-Y736 PolarHBondContact O-N 3.36Å; T733-L737 VanDerWaalsContact O-CB 3.24Å; T733-L737 WeakPolarHBondContact O-CB 3.45Å; T733-L737 PolarHBondContact O-N 3.46Å; T733-F752 HydrophobicContact CG2-CE1 4.04Å; T733-F752 HydrophobicContact CG2-CZ 4.3Å; T733-Y760 HydrophobicContact CG2-CE2 4.34Å; T733-Y760 PolarHBondContact OG1-OH 3.22Å; T733-F868 HydrophobicContact CG2-CD2 4.02Å; T733-F868 HydrophobicContact CG2-CE2 3.75Å; T733-F868 VanDerWaalsContact OG1-CE2 3.29Å; T733-F868 WeakPolarHBondContact OG1-CE2 3.32Å |
| 734 | I | 96.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 10.4 Ų | 10.4 | 3% | 0.026 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -69.4 | -39.5 | 178.7 | -63.9 | 172.1 | 0 | 0 | 0 | 110.9 | F674 I678 I730 G731 W732 Y736 L737 V738 | F674-I734 HydrophobicContact CB-CD1 3.7Å; F674-I734 HydrophobicContact CB-CG2 4.21Å; F674-I734 HydrophobicContact CD1-CG2 4.39Å; F674-I734 HydrophobicContact CD2-CD1 3.77Å; F674-I734 HydrophobicContact CG-CD1 3.91Å; F674-I734 HydrophobicContact CG-CG2 4.32Å; I678-I734 HydrophobicContact CD1-CG1 4.39Å; I678-I734 HydrophobicContact CD1-CG2 4.19Å; I678-I734 HydrophobicContact CG1-CG2 4.37Å; I730-I734 HydrophobicContact CG2-CD1 3.97Å; I730-I734 HydrophobicContact CG2-CG1 4.48Å; I730-I734 WeakPolarHBondContact O-CG1 3.48Å; I730-I734 PolarHBondContact O-N 3.29Å; G731-I734 PolarHBondContact O-N 2.86Å; W732-I734 VanDerWaalsContact C-N 3.25Å; W732-I734 PolarHBondContact O-N 2.78Å; I734-Y736 PolarHBondContact O-N 3.32Å; I734-L737 PolarHBondContact O-N 2.96Å; I734-V738 HydrophobicContact CG2-CG2 4.06Å; I734-V738 WeakPolarHBondContact O-CG2 3.36Å; I734-V738 PolarHBondContact O-N 3.32Å |
| 735 | V | 96.3 | Very high | 93.9 | Very high | 9 Ų | 9 | 5.6 Ų | 5.6 | 6% | 0.055 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -56.8 | -35.5 | 174.7 | 171.1 | 0 | 0 | 0 | 0 | 112.3 | L713 P714 V717 G731 W732 P739 | L713-V735 HydrophobicContact CB-CG2 4.06Å; P714-V735 HydrophobicContact CB-CG1 4.35Å; P714-V735 HydrophobicContact CG-CG1 3.69Å; V717-V735 HydrophobicContact CG2-CG2 3.67Å; G731-V735 WeakPolarHBondContact O-CG2 3.49Å; G731-V735 PolarHBondContact O-N 3.21Å; G731-V735 VanDerWaalsContact O-N 3.09Å; W732-V735 HydrophobicContact CE3-CB 3.78Å; W732-V735 HydrophobicContact CE3-CG1 3.75Å; W732-V735 HydrophobicContact CE3-CG2 3.75Å; W732-V735 HydrophobicContact CZ3-CB 4.34Å; W732-V735 HydrophobicContact CZ3-CG1 3.87Å; W732-V735 HydrophobicContact CZ3-CG2 4.19Å; W732-V735 WeakPolarHBondContact O-CB 3.45Å; W732-V735 PolarHBondContact O-N 2.9Å; V735-P739 WeakPolarHBondContact O-CD 3.33Å; V735-P739 VanDerWaalsContact O-CG 3.25Å; V735-P739 WeakPolarHBondContact O-CG 3.46Å |
| 736 | Y | 96 | Very high | 94.1 | Very high | 26 Ų | 26 | 7.3 Ų | 7.3 | 10% | 0.102 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -89.1 | -33.4 | 177.6 | -66.9 | -54.8 | 0 | 0 | 0 | 113.7 | W732 T733 I734 V738 L740 L867 F868 V871 M960 | W732-Y736 WeakPolarHBondContact O-CD2 3.38Å; W732-Y736 PolarHBondContact O-N 3Å; W732-Y736 VanDerWaalsContact O-N 3.13Å; T733-Y736 PolarHBondContact O-N 3.36Å; I734-Y736 PolarHBondContact O-N 3.32Å; Y736-V738 VanDerWaalsContact C-N 3.35Å; Y736-V738 PolarHBondContact O-N 3.2Å; Y736-L740 VanDerWaalsContact O-CB 3.31Å; Y736-L740 WeakPolarHBondContact O-CB 3.41Å; Y736-L740 PolarHBondContact O-N 3.07Å; Y736-L867 HydrophobicContact CD1-CB 4.23Å; Y736-L867 HydrophobicContact CE1-CB 3.61Å; Y736-L867 HydrophobicContact CE1-CD1 3.73Å; Y736-L867 HydrophobicContact CE1-CG 4.32Å; Y736-L867 HydrophobicContact CE2-CB 3.94Å; Y736-L867 VanDerWaalsContact CZ-CB 3.44Å; Y736-L867 WeakPolarHBondContact OH-CB 3.27Å; Y736-F868 HydrophobicContact CD2-CB 3.83Å; Y736-F868 HydrophobicContact CG-CB 4.33Å; Y736-V871 HydrophobicContact CE2-CG2 4.11Å; Y736-M960 HydrophobicContact CE2-CE 3.59Å; Y736-M960 VanDerWaalsContact CZ-CE 3.48Å; Y736-M960 WeakPolarHBondContact OH-CE 3.48Å; Y736-M960 PolarHBondContact OH-SD 3.26Å |
| 737 | L | 97 | Very high | 94.2 | Very high | 11 Ų | 11 | 7.7 Ų | 7.7 | 6% | 0.058 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 176.3 | 173 | 63 | 0 | 0 | 0 | 111.7 | L648 I678 T733 I734 L740 L741 V749 F752 | L648-L737 HydrophobicContact CD1-CD1 3.95Å; L648-L737 HydrophobicContact CD1-CD2 4.07Å; I678-L737 HydrophobicContact CD1-CD2 3.99Å; I678-L737 HydrophobicContact CG1-CD2 4.39Å; T733-L737 VanDerWaalsContact O-CB 3.24Å; T733-L737 WeakPolarHBondContact O-CB 3.45Å; T733-L737 PolarHBondContact O-N 3.46Å; I734-L737 PolarHBondContact O-N 2.96Å; L737-L740 PolarHBondContact O-N 3.09Å; L737-L741 WeakPolarHBondContact O-CB 3.43Å; L737-L741 PolarHBondContact O-N 2.88Å; L737-V749 HydrophobicContact CD1-CG1 3.97Å; L737-F752 HydrophobicContact CB-CD1 4.36Å; L737-F752 HydrophobicContact CB-CE1 3.86Å; L737-F752 HydrophobicContact CB-CZ 4.46Å; L737-F752 HydrophobicContact CD1-CD1 3.7Å; L737-F752 HydrophobicContact CD1-CE1 4.08Å; L737-F752 HydrophobicContact CG-CE1 4.49Å |
| 738 | V | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -68.7 | -50.2 | -171.3 | 170.5 | 0 | 0 | 0 | 0 | 113 | I677 I678 S681 V709 L713 I734 Y736 L740 L741 L742 | I677-V738 HydrophobicContact CG2-CG1 4.07Å; I677-V738 HydrophobicContact CG2-CG2 4.15Å; I678-V738 HydrophobicContact CG1-CG2 3.81Å; S681-V738 WeakPolarHBondContact OG-CG1 3.46Å; V709-V738 HydrophobicContact CG1-CB 4.44Å; V709-V738 HydrophobicContact CG1-CG1 3.36Å; L713-V738 HydrophobicContact CD1-CB 3.63Å; L713-V738 HydrophobicContact CD1-CG1 3.78Å; L713-V738 HydrophobicContact CD1-CG2 3.85Å; I734-V738 HydrophobicContact CG2-CG2 4.06Å; I734-V738 WeakPolarHBondContact O-CG2 3.36Å; I734-V738 PolarHBondContact O-N 3.32Å; Y736-V738 VanDerWaalsContact C-N 3.35Å; Y736-V738 PolarHBondContact O-N 3.2Å; V738-L740 VanDerWaalsContact C-N 3.32Å; V738-L740 PolarHBondContact O-N 3.23Å; V738-L741 PolarHBondContact O-N 3.16Å; V738-L742 HydrophobicContact CG1-CD1 4.22Å; V738-L742 WeakPolarHBondContact O-CG 3.27Å; V738-L742 PolarHBondContact O-N 3.17Å |
| 739 | P | 95.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 7.7 Ų | 7.7 | 7% | 0.071 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60.5 | -41.2 | 173.1 | -23.6 | 34.8 | 0 | 0 | 0 | 112.3 | I710 V735 L741 L742 M743 | I710-P739 HydrophobicContact CG1-CG 4.35Å; V735-P739 WeakPolarHBondContact O-CD 3.33Å; V735-P739 VanDerWaalsContact O-CG 3.25Å; V735-P739 WeakPolarHBondContact O-CG 3.46Å; P739-L741 VanDerWaalsContact C-N 3.33Å; P739-L741 PolarHBondContact O-N 3.17Å; P739-L742 PolarHBondContact O-N 2.94Å; P739-M743 HydrophobicContact CB-CE 4.04Å; P739-M743 WeakPolarHBondContact O-CE 3.22Å; P739-M743 WeakPolarHBondContact O-CG 3.21Å; P739-M743 PolarHBondContact O-N 3.23Å; P739-M743 VanDerWaalsContact O-N 3.14Å |
| 740 | L | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -56.4 | -50 | 174.6 | 175.4 | 61.4 | 0 | 0 | 0 | 110.5 | Y736 L737 V738 L742 M743 S744 F752 T828 K861 C864 | Y736-L740 VanDerWaalsContact O-CB 3.31Å; Y736-L740 WeakPolarHBondContact O-CB 3.41Å; Y736-L740 PolarHBondContact O-N 3.07Å; L737-L740 PolarHBondContact O-N 3.09Å; V738-L740 VanDerWaalsContact C-N 3.32Å; V738-L740 PolarHBondContact O-N 3.23Å; L740-L742 PolarHBondContact O-N 2.91Å; L740-M743 CarbonylContact O-C 3.59Å; L740-M743 PolarHBondContact O-N 2.64Å; L740-S744 PolarHBondContact O-N 3.29Å; L740-S744 PolarHBondContact O-OG 3.44Å; L740-F752 HydrophobicContact CD2-CB 3.56Å; L740-F752 HydrophobicContact CD2-CD2 3.5Å; L740-F752 HydrophobicContact CD2-CE2 4.35Å; L740-F752 HydrophobicContact CD2-CG 3.64Å; L740-T828 HydrophobicContact CD1-CG2 3.72Å; L740-T828 HydrophobicContact CD2-CG2 4.46Å; L740-K861 HydrophobicContact CD1-CG 3.87Å; L740-C864 HydrophobicContact CB-CB 4.11Å |
| 741 | L | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 178.4 | -175.8 | 156.5 | 0 | 0 | 0 | 111.6 | V641 I678 S681 S682 V685 L737 V738 P739 M743 S744 V749 | V641-L741 HydrophobicContact CG1-CG 4.29Å; I678-L741 HydrophobicContact CG2-CD1 4.33Å; S681-L741 WeakPolarHBondContact O-CD2 3.35Å; S682-L741 VanDerWaalsContact N-CD2 3.31Å; V685-L741 HydrophobicContact CG2-CD2 4.03Å; V685-L741 VanDerWaalsContact CG2-O 3.24Å; V685-L741 WeakPolarHBondContact CG2-O 3.4Å; L737-L741 WeakPolarHBondContact O-CB 3.43Å; L737-L741 PolarHBondContact O-N 2.88Å; V738-L741 PolarHBondContact O-N 3.16Å; P739-L741 VanDerWaalsContact C-N 3.33Å; P739-L741 PolarHBondContact O-N 3.17Å; L741-M743 PolarHBondContact O-N 3.29Å; L741-M743 VanDerWaalsContact O-N 3.15Å; L741-S744 WeakPolarHBondContact O-CB 3.37Å; L741-S744 PolarHBondContact O-N 3.18Å; L741-S744 VanDerWaalsContact O-N 3.11Å; L741-V749 HydrophobicContact CB-CG2 4.03Å; L741-V749 HydrophobicContact CD1-CG1 4.13Å; L741-V749 HydrophobicContact CG-CG2 4.03Å |
| 742 | L | 95.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 8.5 Ų | 8.5 | 2% | 0.016 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61.3 | -22.5 | 178.2 | -73.8 | 171.3 | 0 | 0 | 0 | 113.1 | F705 V738 P739 L740 C844 F845 | F705-L742 HydrophobicContact CE1-CD2 4.29Å; V738-L742 HydrophobicContact CG1-CD1 4.22Å; V738-L742 WeakPolarHBondContact O-CG 3.27Å; V738-L742 PolarHBondContact O-N 3.17Å; P739-L742 PolarHBondContact O-N 2.94Å; L740-L742 PolarHBondContact O-N 2.91Å; L742-C844 HydrophobicContact CB-CB 4.34Å; L742-C844 HydrophobicContact CD2-CB 4.25Å; L742-C844 WeakPolarHBondContact O-CB 3.26Å; L742-C844 PolarHBondContact O-SG 2.9Å; L742-F845 HydrophobicContact CB-CE2 3.91Å; L742-F845 HydrophobicContact CB-CZ 4.21Å; L742-F845 HydrophobicContact CD1-CZ 4.06Å |
| 743 | M | 93.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 9 Ų | 9 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 4 | 179.4 | -59.2 | -178.1 | -76 | 0 | 0 | 113.8 | P739 L740 L741 S841 F845 L857 I860 K861 | P739-M743 HydrophobicContact CB-CE 4.04Å; P739-M743 WeakPolarHBondContact O-CE 3.22Å; P739-M743 WeakPolarHBondContact O-CG 3.21Å; P739-M743 PolarHBondContact O-N 3.23Å; P739-M743 VanDerWaalsContact O-N 3.14Å; L740-M743 CarbonylContact O-C 3.59Å; L740-M743 PolarHBondContact O-N 2.64Å; L741-M743 PolarHBondContact O-N 3.29Å; L741-M743 VanDerWaalsContact O-N 3.15Å; M743-S841 WeakPolarHBondContact CA-O 3.22Å; M743-S841 WeakPolarHBondContact CB-O 3.36Å; M743-S841 WeakPolarHBondContact O-CB 3.25Å; M743-F845 HydrophobicContact CG-CD2 4.11Å; M743-F845 HydrophobicContact CG-CE2 3.6Å; M743-F845 HydrophobicContact SD-CE2 4.17Å; M743-L857 HydrophobicContact SD-CB 4.08Å; M743-L857 HydrophobicContact SD-CD2 4.49Å; M743-I860 HydrophobicContact CE-CB 4.49Å; M743-I860 HydrophobicContact CE-CG2 4.09Å; M743-K861 HydrophobicContact CB-CB 4.25Å; M743-K861 HydrophobicContact CB-CD 3.95Å; M743-K861 HydrophobicContact CB-CG 4.1Å; M743-K861 HydrophobicContact CE-CB 3.71Å; M743-K861 HydrophobicContact CE-CG 4.48Å; M743-K861 VanDerWaalsContact O-CE 3.31Å; M743-K861 WeakPolarHBondContact O-CE 3.49Å; M743-K861 PolarHBondContact O-NZ 2.92Å; M743-K861 HydrophobicContact SD-CB 3.98Å |
| 744 | S | 92.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 10 Ų | 10 | 2% | 0.021 | 6% | 0.056 | C | C | . | . | trans | -80.8 | 141.5 | -179.7 | -75.7 | 0 | 0 | 0 | 0 | 112.1 | L740 L741 E748 V749 | L740-S744 PolarHBondContact O-N 3.29Å; L740-S744 PolarHBondContact O-OG 3.44Å; L741-S744 WeakPolarHBondContact O-CB 3.37Å; L741-S744 PolarHBondContact O-N 3.18Å; L741-S744 VanDerWaalsContact O-N 3.11Å; S744-E748 WeakPolarHBondContact CA-OE2 3.33Å; S744-E748 WeakPolarHBondContact CB-OE2 3.49Å; S744-E748 PolarHBondContact OG-OE2 3.16Å; S744-V749 WeakPolarHBondContact OG-CG2 3.32Å | ||
| 745 | T | 88.8 | Confident | 95 | Very high | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.006 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -117.4 | -18.5 | 177.6 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | M636 F637 E748 S841 | M636-T745 HydrophobicContact CE-CG2 4.16Å; F637-T745 CarbonylContact C-O 3.34Å; F637-T745 PolarHBondContact N-O 3.41Å; T745-E748 PolarHBondContact N-OE2 2.97Å; T745-S841 WeakPolarHBondContact CG2-OG 3.4Å |
| 746 | Y | 90.9 | Very high | 95.1 | Very high | 36 Ų | 36 | 9.8 Ų | 9.8 | 14% | 0.141 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -145.6 | -127.6 | -174.7 | -166 | -154.1 | 0 | 0 | 0 | 113.1 | P630 N635 F637 I640 V641 E748 | P630-Y746 HydrophobicContact CG-CE1 4.21Å; N635-Y746 HydrophobicContact CB-CD1 4.43Å; N635-Y746 HydrophobicContact CB-CE1 4.26Å; F637-Y746 HydrophobicContact CB-CD2 3.78Å; F637-Y746 HydrophobicContact CB-CE2 3.91Å; F637-Y746 AromaticContact CD2-CD2 3.76Å; F637-Y746 HydrophobicContact CD2-CD2 3.76Å; F637-Y746 AromaticContact CD2-CE2 3.35Å; F637-Y746 HydrophobicContact CD2-CE2 3.35Å; F637-Y746 HydrophobicContact CE2-CE2 4.22Å; F637-Y746 HydrophobicContact CG-CD2 4.23Å; F637-Y746 AromaticContact CG-CE2 3.98Å; F637-Y746 HydrophobicContact CG-CE2 3.98Å; I640-Y746 HydrophobicContact CD1-CD2 4.3Å; I640-Y746 HydrophobicContact CD1-CE2 3.82Å; V641-Y746 WeakPolarHBondContact CG2-O 3.25Å; Y746-E748 VanDerWaalsContact C-N 3.28Å; Y746-E748 PolarHBondContact N-OE2 2.95Å; Y746-E748 PolarHBondContact O-N 3.06Å |
| 747 | Y | 92.4 | Very high | 95.2 | Very high | 9 Ų | 9 | 12.1 Ų | 12.1 | 4% | 0.035 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -82 | 6.3 | -174.7 | 59.7 | -107.9 | 0 | 0 | 0 | 114.6 | F626 L629 P630 I632 V749 S750 F751 | F626-Y747 AromaticContact CD1-CD2 3.62Å; F626-Y747 HydrophobicContact CD1-CD2 3.62Å; F626-Y747 HydrophobicContact CD1-CE2 4.07Å; F626-Y747 HydrophobicContact CD1-CG 4.3Å; F626-Y747 HydrophobicContact CE1-CD2 4.17Å; L629-Y747 HydrophobicContact CB-CD1 4.15Å; L629-Y747 HydrophobicContact CB-CE1 3.48Å; L629-Y747 VanDerWaalsContact CB-CE1 3.48Å; L629-Y747 HydrophobicContact CD1-CD1 3.61Å; L629-Y747 HydrophobicContact CD1-CD2 4.22Å; L629-Y747 HydrophobicContact CD1-CE1 3.81Å; L629-Y747 HydrophobicContact CD1-CE2 4.36Å; L629-Y747 HydrophobicContact CD1-CG 3.86Å; L629-Y747 HydrophobicContact CG-CE1 4.29Å; P630-Y747 WeakPolarHBondContact O-CE1 3.45Å; P630-Y747 PolarHBondContact O-OH 3.17Å; I632-Y747 HydrophobicContact CD1-CE2 3.94Å; I632-Y747 HydrophobicContact CG1-CE1 4.47Å; I632-Y747 HydrophobicContact CG1-CE2 4.04Å; Y747-V749 VanDerWaalsContact C-N 3.27Å; Y747-V749 PolarHBondContact O-N 3.28Å; Y747-S750 WeakPolarHBondContact O-CA 3.39Å; Y747-S750 WeakPolarHBondContact O-CB 3.46Å; Y747-S750 PolarHBondContact O-N 3.46Å; Y747-F751 HydrophobicContact CD2-CB 4.41Å; Y747-F751 PolarHBondContact O-N 2.93Å |
| 748 | E | 92.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.8 | -36.2 | -169.7 | -52.8 | 114.9 | 139.7 | 0 | 0 | 112.5 | I632 S744 T745 Y746 F751 F752 K861 | I632-E748 HydrophobicContact CD1-CG 3.5Å; I632-E748 VanDerWaalsContact CD1-CG 3.5Å; I632-E748 HydrophobicContact CG1-CG 3.91Å; I632-E748 HydrophobicContact CG2-CG 4.08Å; I632-E748 WeakPolarHBondContact CG2-OE1 3.45Å; S744-E748 WeakPolarHBondContact CA-OE2 3.33Å; S744-E748 WeakPolarHBondContact CB-OE2 3.49Å; S744-E748 PolarHBondContact OG-OE2 3.16Å; T745-E748 PolarHBondContact N-OE2 2.97Å; Y746-E748 VanDerWaalsContact C-N 3.28Å; Y746-E748 PolarHBondContact N-OE2 2.95Å; Y746-E748 PolarHBondContact O-N 3.06Å; E748-F751 WeakPolarHBondContact O-CB 3.41Å; E748-F751 PolarHBondContact O-N 3.25Å; E748-F752 PolarHBondContact O-N 2.76Å; E748-K861 WeakPolarHBondContact OE1-CE 3.41Å; E748-K861 IonicContact OE1-NZ 3.02Å; E748-K861 PolarHBondContact OE1-NZ 3.22Å |
| 749 | V | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -67.4 | -39.7 | 176.7 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | V641 T644 L648 L737 L741 S744 Y747 F751 F752 A753 | V641-V749 HydrophobicContact CG1-CG2 3.93Å; T644-V749 HydrophobicContact CG2-CB 4.15Å; T644-V749 HydrophobicContact CG2-CG1 3.78Å; L648-V749 HydrophobicContact CD1-CG1 3.66Å; L737-V749 HydrophobicContact CD1-CG1 3.97Å; L741-V749 HydrophobicContact CB-CG2 4.03Å; L741-V749 HydrophobicContact CD1-CG1 4.13Å; L741-V749 HydrophobicContact CG-CG2 4.03Å; S744-V749 WeakPolarHBondContact OG-CG2 3.32Å; Y747-V749 VanDerWaalsContact C-N 3.27Å; Y747-V749 PolarHBondContact O-N 3.28Å; V749-F751 VanDerWaalsContact C-N 3.34Å; V749-F752 PolarHBondContact O-N 3.42Å; V749-A753 PolarHBondContact O-N 3.33Å |
| 750 | S | 95.3 | Very high | 95.3 | Very high | 26 Ų | 26 | 13 Ų | 13 | 18% | 0.182 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.1 | -40.8 | 176 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | T644 Y747 A753 V754 | T644-S750 WeakPolarHBondContact CG2-OG 3.46Å; T644-S750 PolarHBondContact OG1-OG 2.76Å; Y747-S750 WeakPolarHBondContact O-CA 3.39Å; Y747-S750 WeakPolarHBondContact O-CB 3.46Å; Y747-S750 PolarHBondContact O-N 3.46Å; S750-A753 PolarHBondContact O-N 2.92Å; S750-V754 PolarHBondContact O-N 3.35Å; S750-V754 VanDerWaalsContact O-N 3.17Å |
| 751 | F | 95.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.009 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57 | -52.9 | 171.3 | 161.9 | -97.9 | 0 | 0 | 0 | 110.7 | L623 F626 Y747 E748 V749 A753 V754 F755 I823 G827 | L623-F751 HydrophobicContact CD1-CD2 4.01Å; L623-F751 HydrophobicContact CD1-CE2 3.65Å; F626-F751 HydrophobicContact CB-CD2 4.04Å; F626-F751 HydrophobicContact CD1-CB 3.72Å; F626-F751 HydrophobicContact CD1-CD2 4.44Å; F626-F751 HydrophobicContact CD2-CB 4.41Å; F626-F751 AromaticContact CD2-CD2 3.96Å; F626-F751 HydrophobicContact CD2-CD2 3.96Å; F626-F751 HydrophobicContact CE1-CB 3.8Å; F626-F751 HydrophobicContact CE2-CB 4.48Å; F626-F751 HydrophobicContact CG-CB 4.04Å; F626-F751 AromaticContact CG-CD2 3.89Å; F626-F751 HydrophobicContact CG-CD2 3.89Å; F626-F751 HydrophobicContact CG-CG 4.47Å; F626-F751 VanDerWaalsContact CZ-CA 3.46Å; F626-F751 HydrophobicContact CZ-CB 4.2Å; Y747-F751 HydrophobicContact CD2-CB 4.41Å; Y747-F751 PolarHBondContact O-N 2.93Å; E748-F751 WeakPolarHBondContact O-CB 3.41Å; E748-F751 PolarHBondContact O-N 3.25Å; V749-F751 VanDerWaalsContact C-N 3.34Å; F751-A753 VanDerWaalsContact C-N 3.26Å; F751-A753 PolarHBondContact O-N 3Å; F751-V754 PolarHBondContact O-N 2.78Å; F751-F755 HydrophobicContact CE1-CB 4.29Å; F751-F755 HydrophobicContact CE1-CG 4.38Å; F751-F755 HydrophobicContact CE2-CB 4.31Å; F751-F755 HydrophobicContact CE2-CD2 4.41Å; F751-F755 HydrophobicContact CZ-CB 4.05Å; F751-F755 AromaticContact CZ-CD2 3.91Å; F751-F755 HydrophobicContact CZ-CD2 3.91Å; F751-F755 HydrophobicContact CZ-CG 4.03Å; F751-F755 VanDerWaalsContact O-CB 3.23Å; F751-F755 WeakPolarHBondContact O-CB 3.43Å; F751-F755 PolarHBondContact O-N 3.2Å; F751-I823 HydrophobicContact CE2-CG2 3.81Å; F751-I823 HydrophobicContact CZ-CG2 4.05Å; F751-I823 WeakPolarHBondContact CZ-O 3.32Å; F751-G827 WeakPolarHBondContact CD1-O 3.45Å |
| 752 | F | 97.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 13.8 Ų | 13.8 | 1% | 0.013 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60 | -37.3 | -179.3 | -176.5 | -85.8 | 0 | 0 | 0 | 112 | T733 L737 L740 E748 V749 F755 A756 P865 F868 | T733-F752 HydrophobicContact CG2-CE1 4.04Å; T733-F752 HydrophobicContact CG2-CZ 4.3Å; L737-F752 HydrophobicContact CB-CD1 4.36Å; L737-F752 HydrophobicContact CB-CE1 3.86Å; L737-F752 HydrophobicContact CB-CZ 4.46Å; L737-F752 HydrophobicContact CD1-CD1 3.7Å; L737-F752 HydrophobicContact CD1-CE1 4.08Å; L737-F752 HydrophobicContact CG-CE1 4.49Å; L740-F752 HydrophobicContact CD2-CB 3.56Å; L740-F752 HydrophobicContact CD2-CD2 3.5Å; L740-F752 HydrophobicContact CD2-CE2 4.35Å; L740-F752 HydrophobicContact CD2-CG 3.64Å; E748-F752 PolarHBondContact O-N 2.76Å; V749-F752 PolarHBondContact O-N 3.42Å; F752-F755 PolarHBondContact O-N 3.19Å; F752-A756 HydrophobicContact CE1-CB 4.45Å; F752-A756 VanDerWaalsContact O-CB 3.24Å; F752-A756 WeakPolarHBondContact O-CB 3.42Å; F752-A756 PolarHBondContact O-N 2.91Å; F752-P865 HydrophobicContact CD2-CB 4.15Å; F752-P865 HydrophobicContact CE2-CB 4.39Å; F752-F868 HydrophobicContact CE2-CB 4Å; F752-F868 HydrophobicContact CE2-CD1 4.02Å; F752-F868 HydrophobicContact CE2-CG 4.05Å; F752-F868 HydrophobicContact CZ-CB 4.07Å; F752-F868 HydrophobicContact CZ-CD1 4.06Å; F752-F868 HydrophobicContact CZ-CD2 4.26Å; F752-F868 AromaticContact CZ-CG 3.84Å; F752-F868 HydrophobicContact CZ-CG 3.84Å |
| 753 | A | 97 | Very high | 95.2 | Very high | 25 Ų | 25 | 13.6 Ų | 13.6 | 21% | 0.207 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61 | -49.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L648 V749 S750 F751 A756 V757 | L648-A753 HydrophobicContact CD1-CB 4.3Å; L648-A753 HydrophobicContact CD2-CB 3.92Å; V749-A753 PolarHBondContact O-N 3.33Å; S750-A753 PolarHBondContact O-N 2.92Å; F751-A753 VanDerWaalsContact C-N 3.26Å; F751-A753 PolarHBondContact O-N 3Å; A753-A756 PolarHBondContact O-N 3.23Å; A753-V757 WeakPolarHBondContact O-CG2 3.33Å; A753-V757 PolarHBondContact O-N 2.73Å; A753-V757 VanDerWaalsContact O-N 3.13Å |
| 754 | V | 97.8 | Very high | 95.2 | Very high | 38 Ų | 38 | 15.6 Ų | 15.6 | 23% | 0.23 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.9 | -42.3 | 177.5 | 178.7 | 0 | 0 | 0 | 0 | 111 | L623 F626 S750 F751 A756 V757 V758 | L623-V754 HydrophobicContact CB-CG1 4.15Å; L623-V754 HydrophobicContact CD1-CG1 4.41Å; F626-V754 HydrophobicContact CE2-CB 3.89Å; F626-V754 HydrophobicContact CE2-CG1 4.24Å; F626-V754 HydrophobicContact CE2-CG2 3.89Å; F626-V754 HydrophobicContact CZ-CB 4.4Å; F626-V754 HydrophobicContact CZ-CG2 4.02Å; S750-V754 PolarHBondContact O-N 3.35Å; S750-V754 VanDerWaalsContact O-N 3.17Å; F751-V754 PolarHBondContact O-N 2.78Å; V754-A756 VanDerWaalsContact C-N 3.31Å; V754-A756 PolarHBondContact O-N 3.1Å; V754-V757 PolarHBondContact O-N 3.17Å; V754-V758 PolarHBondContact O-N 3.21Å |
| 755 | F | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.8 | -42.9 | 175.2 | -178.5 | -103.7 | 0 | 0 | 0 | 111.8 | L623 F751 F752 V758 T759 L820 I823 P865 F868 L869 | L623-F755 HydrophobicContact CD1-CB 4.26Å; L623-F755 HydrophobicContact CD1-CD2 4.39Å; F751-F755 HydrophobicContact CE1-CB 4.29Å; F751-F755 HydrophobicContact CE1-CG 4.38Å; F751-F755 HydrophobicContact CE2-CB 4.31Å; F751-F755 HydrophobicContact CE2-CD2 4.41Å; F751-F755 HydrophobicContact CZ-CB 4.05Å; F751-F755 AromaticContact CZ-CD2 3.91Å; F751-F755 HydrophobicContact CZ-CD2 3.91Å; F751-F755 HydrophobicContact CZ-CG 4.03Å; F751-F755 VanDerWaalsContact O-CB 3.23Å; F751-F755 WeakPolarHBondContact O-CB 3.43Å; F751-F755 PolarHBondContact O-N 3.2Å; F752-F755 PolarHBondContact O-N 3.19Å; F755-V758 PolarHBondContact O-N 3.16Å; F755-T759 WeakPolarHBondContact O-CB 3.47Å; F755-T759 PolarHBondContact O-N 3.23Å; F755-T759 PolarHBondContact O-OG1 3.36Å; F755-L820 HydrophobicContact CD2-CD2 4.36Å; F755-L820 HydrophobicContact CE2-CB 3.97Å; F755-L820 HydrophobicContact CE2-CD2 3.82Å; F755-L820 HydrophobicContact CE2-CG 4.47Å; F755-L820 VanDerWaalsContact CE2-O 3.27Å; F755-L820 WeakPolarHBondContact CE2-O 3.22Å; F755-L820 HydrophobicContact CZ-CB 4.15Å; F755-L820 WeakPolarHBondContact CZ-O 3.28Å; F755-I823 HydrophobicContact CD2-CG2 4.29Å; F755-I823 HydrophobicContact CE2-CG2 4.41Å; F755-P865 HydrophobicContact CD1-CB 4.48Å; F755-P865 HydrophobicContact CE1-CB 4.23Å; F755-F868 HydrophobicContact CD1-CD1 4.03Å; F755-F868 AromaticContact CD1-CE1 3.96Å; F755-F868 HydrophobicContact CD1-CE1 3.96Å; F755-F868 AromaticContact CE1-CD1 3.84Å; F755-F868 HydrophobicContact CE1-CD1 3.84Å; F755-F868 HydrophobicContact CE1-CE1 4.01Å; F755-L869 HydrophobicContact CE1-CB 4.37Å; F755-L869 HydrophobicContact CZ-CB 4.28Å; F755-L869 HydrophobicContact CZ-CD1 4.4Å; F755-L869 HydrophobicContact CZ-CD2 4.37Å |
| 756 | A | 97.9 | Very high | 95 | Very high | 10 Ų | 10 | 16 Ų | 16 | 8% | 0.083 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F752 A753 V754 V758 T759 Y760 F868 | F752-A756 HydrophobicContact CE1-CB 4.45Å; F752-A756 VanDerWaalsContact O-CB 3.24Å; F752-A756 WeakPolarHBondContact O-CB 3.42Å; F752-A756 PolarHBondContact O-N 2.91Å; A753-A756 PolarHBondContact O-N 3.23Å; V754-A756 VanDerWaalsContact C-N 3.31Å; V754-A756 PolarHBondContact O-N 3.1Å; A756-V758 PolarHBondContact O-N 2.99Å; A756-T759 PolarHBondContact O-N 2.87Å; A756-Y760 HydrophobicContact CB-CD2 4.43Å; A756-Y760 WeakPolarHBondContact O-CB 3.15Å; A756-Y760 WeakPolarHBondContact O-CD2 3.49Å; A756-Y760 PolarHBondContact O-N 2.93Å; A756-F868 HydrophobicContact CB-CE1 4.05Å; A756-F868 HydrophobicContact CB-CZ 3.79Å |
| 757 | V | 97.7 | Very high | 94.6 | Very high | 74 Ų | 74 | 14.3 Ų | 14.3 | 45% | 0.448 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -57.1 | -49.2 | 176.4 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | A753 V754 T759 Y760 L761 | A753-V757 WeakPolarHBondContact O-CG2 3.33Å; A753-V757 PolarHBondContact O-N 2.73Å; A753-V757 VanDerWaalsContact O-N 3.13Å; V754-V757 PolarHBondContact O-N 3.17Å; V757-T759 VanDerWaalsContact C-N 3.31Å; V757-T759 PolarHBondContact O-N 2.9Å; V757-Y760 PolarHBondContact O-N 3.28Å; V757-L761 HydrophobicContact CG1-CD1 3.88Å; V757-L761 HydrophobicContact CG1-CG 4.35Å; V757-L761 WeakPolarHBondContact O-CB 3.33Å; V757-L761 VanDerWaalsContact O-CG 3.29Å; V757-L761 WeakPolarHBondContact O-CG 3.4Å; V757-L761 PolarHBondContact O-N 3.14Å |
| 758 | V | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 177.6 | 173.9 | 0 | 0 | 0 | 0 | 111 | F595 W616 L623 V754 F755 A756 L761 W762 L820 | F595-V758 HydrophobicContact CE1-CG1 3.93Å; W616-V758 HydrophobicContact CZ3-CG1 4.32Å; L623-V758 HydrophobicContact CB-CG2 4.47Å; L623-V758 HydrophobicContact CD2-CG1 4.44Å; L623-V758 HydrophobicContact CD2-CG2 4.24Å; V754-V758 PolarHBondContact O-N 3.21Å; F755-V758 PolarHBondContact O-N 3.16Å; A756-V758 PolarHBondContact O-N 2.99Å; V758-L761 PolarHBondContact O-N 3.22Å; V758-W762 WeakPolarHBondContact O-CB 3.44Å; V758-W762 PolarHBondContact O-N 2.8Å; V758-L820 HydrophobicContact CG1-CD2 4.15Å |
| 759 | T | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.5 | -37.4 | -178.3 | -48 | 0 | 0 | 0 | 0 | 111.9 | F755 A756 V757 W762 F763 L820 F868 L869 I872 | F755-T759 WeakPolarHBondContact O-CB 3.47Å; F755-T759 PolarHBondContact O-N 3.23Å; F755-T759 PolarHBondContact O-OG1 3.36Å; A756-T759 PolarHBondContact O-N 2.87Å; V757-T759 VanDerWaalsContact C-N 3.31Å; V757-T759 PolarHBondContact O-N 2.9Å; T759-W762 HydrophobicContact CG2-CE3 4.21Å; T759-W762 PolarHBondContact O-N 3Å; T759-F763 PolarHBondContact O-N 3.33Å; T759-L820 HydrophobicContact CG2-CD1 4.41Å; T759-F868 HydrophobicContact CG2-CE1 4.17Å; T759-F868 HydrophobicContact CG2-CZ 4.4Å; T759-L869 HydrophobicContact CG2-CD1 3.59Å; T759-I872 HydrophobicContact CG2-CB 3.67Å; T759-I872 HydrophobicContact CG2-CG1 3.71Å; T759-I872 HydrophobicContact CG2-CG2 3.67Å |
| 760 | Y | 96.5 | Very high | 91.1 | Very high | 40 Ų | 40 | 19.4 Ų | 19.4 | 16% | 0.157 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.5 | -38.9 | 173.4 | -87.7 | -72.2 | 0 | 0 | 0 | 112.6 | M729 I730 T733 A756 V757 F763 Y764 W781 F868 I872 | M729-Y760 VanDerWaalsContact C-OH 3.24Å; M729-Y760 HydrophobicContact CB-CE1 4.17Å; M729-Y760 HydrophobicContact CE-CD1 4.14Å; M729-Y760 HydrophobicContact CE-CE1 3.78Å; M729-Y760 PolarHBondContact O-OH 3.22Å; I730-Y760 PolarHBondContact N-OH 2.89Å; T733-Y760 HydrophobicContact CG2-CE2 4.34Å; T733-Y760 PolarHBondContact OG1-OH 3.22Å; A756-Y760 HydrophobicContact CB-CD2 4.43Å; A756-Y760 WeakPolarHBondContact O-CB 3.15Å; A756-Y760 WeakPolarHBondContact O-CD2 3.49Å; A756-Y760 PolarHBondContact O-N 2.93Å; V757-Y760 PolarHBondContact O-N 3.28Å; Y760-F763 PolarHBondContact O-N 2.86Å; Y760-Y764 WeakPolarHBondContact O-CB 3.47Å; Y760-Y764 PolarHBondContact O-N 2.89Å; Y760-W781 HydrophobicContact CD1-CZ3 4.47Å; Y760-F868 HydrophobicContact CD2-CZ 4.34Å; Y760-F868 AromaticContact CE2-CE2 3.98Å; Y760-F868 HydrophobicContact CE2-CE2 3.98Å; Y760-F868 HydrophobicContact CE2-CZ 4.05Å; Y760-I872 HydrophobicContact CE1-CD1 4.1Å; Y760-I872 HydrophobicContact CE2-CD1 4.49Å |
| 761 | L | 95.9 | Very high | 89.3 | Confident | 17 Ų | 17 | 19 Ų | 19 | 9% | 0.089 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 173.7 | -72.4 | 170.1 | 0 | 0 | 0 | 110.8 | I612 L615 W616 S619 V757 V758 F763 Y764 I765 | I612-L761 HydrophobicContact CG2-CD2 4.3Å; L615-L761 HydrophobicContact CB-CD1 4.06Å; L615-L761 HydrophobicContact CB-CD2 4.22Å; W616-L761 HydrophobicContact CE3-CB 3.99Å; W616-L761 HydrophobicContact CZ3-CB 4.4Å; S619-L761 WeakPolarHBondContact OG-CD1 3.42Å; V757-L761 HydrophobicContact CG1-CD1 3.88Å; V757-L761 HydrophobicContact CG1-CG 4.35Å; V757-L761 WeakPolarHBondContact O-CB 3.33Å; V757-L761 VanDerWaalsContact O-CG 3.29Å; V757-L761 WeakPolarHBondContact O-CG 3.4Å; V757-L761 PolarHBondContact O-N 3.14Å; V758-L761 PolarHBondContact O-N 3.22Å; L761-F763 PolarHBondContact O-N 3.13Å; L761-Y764 PolarHBondContact O-N 2.87Å; L761-I765 VanDerWaalsContact O-CG1 3.25Å; L761-I765 WeakPolarHBondContact O-CG1 3.3Å; L761-I765 PolarHBondContact O-N 3.22Å |
| 762 | W | 95.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.7 | -51 | 173.8 | 173.8 | 35.5 | 0 | 0 | 0 | 111.2 | F605 W616 V758 T759 Y764 I765 E766 Q813 F816 F817 L820 L869 Y873 I876 | F605-W762 AromaticContact CE2-CD1 3.83Å; W616-W762 HydrophobicContact CH2-CB 4.38Å; W616-W762 HydrophobicContact CZ3-CB 4Å; V758-W762 WeakPolarHBondContact O-CB 3.44Å; V758-W762 PolarHBondContact O-N 2.8Å; T759-W762 HydrophobicContact CG2-CE3 4.21Å; T759-W762 PolarHBondContact O-N 3Å; W762-Y764 VanDerWaalsContact C-N 3.35Å; W762-Y764 PolarHBondContact O-N 2.92Å; W762-I765 PolarHBondContact O-N 2.96Å; W762-E766 WeakPolarHBondContact O-CB 3.37Å; W762-E766 WeakPolarHBondContact O-CG 3.06Å; W762-E766 PolarHBondContact O-N 3.28Å; W762-E766 VanDerWaalsContact O-N 3.08Å; W762-Q813 HydrophobicContact CZ2-CB 4.29Å; W762-Q813 WeakPolarHBondContact CZ2-O 3.35Å; W762-F816 AromaticContact CD1-CD2 3.64Å; W762-F816 HydrophobicContact CD2-CB 4.47Å; W762-F816 HydrophobicContact CD2-CD2 4.38Å; W762-F816 AromaticContact CE2-CD2 3.92Å; W762-F816 HydrophobicContact CG-CD2 4.21Å; W762-F816 HydrophobicContact CH2-CB 4.19Å; W762-F816 HydrophobicContact CZ2-CB 3.66Å; W762-F816 AromaticContact NE1-CD2 3.44Å; W762-F817 HydrophobicContact CH2-CB 4.07Å; W762-L820 HydrophobicContact CD2-CD1 4.24Å; W762-L820 HydrophobicContact CE3-CD1 3.44Å; W762-L820 VanDerWaalsContact CE3-CD1 3.44Å; W762-L820 HydrophobicContact CZ3-CD1 3.73Å; W762-L869 HydrophobicContact CZ3-CD1 3.91Å; W762-Y873 AromaticContact CH2-CD2 3.56Å; W762-Y873 HydrophobicContact CH2-CD2 3.56Å; W762-Y873 HydrophobicContact CH2-CE2 4.01Å; W762-Y873 HydrophobicContact CZ2-CD2 4.25Å; W762-Y873 HydrophobicContact CZ2-CE2 4.42Å; W762-Y873 HydrophobicContact CZ3-CD2 4.36Å; W762-I876 HydrophobicContact CD2-CD1 3.54Å; W762-I876 HydrophobicContact CE3-CD1 3.74Å; W762-I876 HydrophobicContact CG-CD1 4.13Å; W762-I876 HydrophobicContact CH2-CD1 3.98Å; W762-I876 HydrophobicContact CZ2-CD1 3.75Å; W762-I876 HydrophobicContact CZ3-CD1 3.95Å |
| 763 | F | 93.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.9 | -47.2 | 175 | 163 | -93.7 | 0 | 0 | 0 | 112.7 | L725 M729 T759 Y760 L761 E766 T767 V780 W781 I872 A875 I876 | L725-F763 HydrophobicContact CD2-CE2 3.81Å; L725-F763 HydrophobicContact CD2-CZ 3.46Å; L725-F763 VanDerWaalsContact CD2-CZ 3.46Å; L725-F763 HydrophobicContact CG-CZ 4.31Å; M729-F763 HydrophobicContact CE-CB 4.4Å; M729-F763 HydrophobicContact CE-CD1 3.8Å; M729-F763 HydrophobicContact CE-CD2 3.81Å; M729-F763 HydrophobicContact CE-CE1 4.04Å; M729-F763 HydrophobicContact CE-CE2 4.04Å; M729-F763 HydrophobicContact CE-CG 3.71Å; M729-F763 HydrophobicContact CE-CZ 4.17Å; M729-F763 HydrophobicContact SD-CD2 4.46Å; M729-F763 HydrophobicContact SD-CE1 4.21Å; M729-F763 HydrophobicContact SD-CE2 4.09Å; M729-F763 HydrophobicContact SD-CZ 3.98Å; T759-F763 PolarHBondContact O-N 3.33Å; Y760-F763 PolarHBondContact O-N 2.86Å; L761-F763 PolarHBondContact O-N 3.13Å; F763-E766 PolarHBondContact O-N 3.21Å; F763-T767 HydrophobicContact CD2-CG2 3.85Å; F763-T767 HydrophobicContact CE2-CG2 3.47Å; F763-T767 VanDerWaalsContact CE2-CG2 3.47Å; F763-T767 HydrophobicContact CZ-CG2 3.93Å; F763-T767 WeakPolarHBondContact O-CB 3.33Å; F763-T767 WeakPolarHBondContact O-CG2 3.35Å; F763-T767 PolarHBondContact O-N 2.89Å; F763-T767 PolarHBondContact O-OG1 3.03Å; F763-V780 HydrophobicContact CE1-CG1 3.57Å; F763-V780 HydrophobicContact CZ-CG1 3.61Å; F763-W781 HydrophobicContact CD1-CH2 4.22Å; F763-W781 AromaticContact CD1-CZ3 3.96Å; F763-W781 HydrophobicContact CD1-CZ3 3.96Å; F763-W781 HydrophobicContact CE1-CE3 4.15Å; F763-W781 HydrophobicContact CE1-CH2 4.04Å; F763-W781 AromaticContact CE1-CZ3 3.49Å; F763-W781 HydrophobicContact CE1-CZ3 3.49Å; F763-W781 VanDerWaalsContact CE1-CZ3 3.49Å; F763-I872 HydrophobicContact CB-CG2 3.63Å; F763-I872 HydrophobicContact CG-CG2 4.34Å; F763-A875 HydrophobicContact CD2-CB 3.96Å; F763-A875 HydrophobicContact CE2-CB 3.77Å; F763-I876 HydrophobicContact CB-CD1 4.24Å; F763-I876 HydrophobicContact CB-CG1 4.08Å; F763-I876 HydrophobicContact CD2-CG1 3.79Å; F763-I876 HydrophobicContact CG-CG1 4.43Å |
| 764 | Y | 91.8 | Very high | 83.6 | Confident | 43 Ų | 43 | 26.9 Ų | 26.9 | 17% | 0.169 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | -177.4 | 179.7 | -98.2 | 0 | 0 | 0 | 112 | E609 I612 Y760 L761 W762 E766 T767 K768 W781 | E609-Y764 PolarHBondContact OE2-OH 3.4Å; I612-Y764 HydrophobicContact CD1-CD1 4.18Å; I612-Y764 HydrophobicContact CD1-CE1 3.74Å; I612-Y764 HydrophobicContact CG1-CD1 4.47Å; I612-Y764 HydrophobicContact CG1-CE1 3.86Å; I612-Y764 HydrophobicContact CG2-CD1 4.23Å; I612-Y764 HydrophobicContact CG2-CE1 4.38Å; Y760-Y764 WeakPolarHBondContact O-CB 3.47Å; Y760-Y764 PolarHBondContact O-N 2.89Å; L761-Y764 PolarHBondContact O-N 2.87Å; W762-Y764 VanDerWaalsContact C-N 3.35Å; W762-Y764 PolarHBondContact O-N 2.92Å; Y764-E766 PolarHBondContact O-N 2.97Å; Y764-T767 PolarHBondContact O-N 3.39Å; Y764-K768 HydrophobicContact CD1-CD 4.41Å; Y764-K768 HydrophobicContact CE1-CD 3.59Å; Y764-K768 HydrophobicContact CE2-CD 4.11Å; Y764-K768 VanDerWaalsContact CZ-CD 3.45Å; Y764-K768 WeakPolarHBondContact O-CB 3.36Å; Y764-K768 PolarHBondContact O-N 3.28Å; Y764-K768 WeakPolarHBondContact OH-CD 3.38Å; Y764-K768 PolarHBondContact OH-NZ 3.09Å; Y764-W781 HydrophobicContact CD2-CH2 4.33Å; Y764-W781 AromaticContact CD2-CZ2 3.9Å; Y764-W781 HydrophobicContact CD2-CZ2 3.9Å; Y764-W781 HydrophobicContact CE2-CZ2 4.41Å |
| 765 | I | 90.6 | Very high | 81.4 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -44.2 | 178 | -65.6 | 167.7 | 0 | 0 | 0 | 110.4 | F605 P607 I612 W616 L761 W762 T767 T769 | F605-I765 HydrophobicContact CD2-CG2 3.65Å; F605-I765 HydrophobicContact CE1-CD1 4.02Å; F605-I765 HydrophobicContact CE1-CG2 4.42Å; F605-I765 HydrophobicContact CE2-CB 3.9Å; F605-I765 HydrophobicContact CE2-CD1 4.46Å; F605-I765 HydrophobicContact CE2-CG2 3.47Å; F605-I765 VanDerWaalsContact CE2-CG2 3.47Å; F605-I765 HydrophobicContact CG-CG2 4.21Å; F605-I765 HydrophobicContact CZ-CB 4.08Å; F605-I765 HydrophobicContact CZ-CD1 3.78Å; F605-I765 HydrophobicContact CZ-CG2 3.88Å; F605-I765 VanDerWaalsContact O-CG2 3.27Å; F605-I765 WeakPolarHBondContact O-CG2 3.29Å; P607-I765 HydrophobicContact CB-CG1 4.3Å; P607-I765 HydrophobicContact CG-CD1 4.36Å; I612-I765 HydrophobicContact CG2-CD1 4.17Å; I612-I765 HydrophobicContact CG2-CG1 3.92Å; W616-I765 HydrophobicContact CD2-CD1 4.41Å; W616-I765 HydrophobicContact CE3-CD1 4.01Å; L761-I765 VanDerWaalsContact O-CG1 3.25Å; L761-I765 WeakPolarHBondContact O-CG1 3.3Å; L761-I765 PolarHBondContact O-N 3.22Å; W762-I765 PolarHBondContact O-N 2.96Å; I765-T767 PolarHBondContact O-N 3.29Å; I765-T769 PolarHBondContact O-OG1 3.31Å |
| 766 | E | 87.7 | Confident | 79.5 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69 | -33.7 | -178 | -72.3 | -67.6 | 170.8 | 0 | 0 | 114 | F605 W762 F763 Y764 K809 R812 Q813 I876 | F605-E766 WeakPolarHBondContact CD2-OE1 3.28Å; F605-E766 HydrophobicContact CE2-CG 4.16Å; W762-E766 WeakPolarHBondContact O-CB 3.37Å; W762-E766 WeakPolarHBondContact O-CG 3.06Å; W762-E766 PolarHBondContact O-N 3.28Å; W762-E766 VanDerWaalsContact O-N 3.08Å; F763-E766 PolarHBondContact O-N 3.21Å; Y764-E766 PolarHBondContact O-N 2.97Å; E766-K809 PolarHBondContact O-NZ 3.17Å; E766-K809 WeakPolarHBondContact OE2-CE 3.18Å; E766-K809 IonicContact OE2-NZ 3.7Å; E766-R812 VanDerWaalsContact CD-NH2 3.32Å; E766-R812 IonicContact OE1-CZ 3Å; E766-R812 VanDerWaalsContact OE1-CZ 3.25Å; E766-R812 IonicContact OE1-NE 3.16Å; E766-R812 PolarHBondContact OE1-NE 3.45Å; E766-R812 IonicContact OE1-NH2 3.98Å; E766-R812 PolarHBondContact OE1-NH2 3.18Å; E766-R812 IonicContact OE2-NH2 2.78Å; E766-R812 PolarHBondContact OE2-NH2 3.37Å; E766-Q813 HydrophobicContact CG-CG 4.45Å; E766-Q813 PolarHBondContact OE2-NE2 3.24Å; E766-I876 HydrophobicContact CB-CG2 4.11Å; E766-I876 HydrophobicContact CG-CG2 4.4Å |
| 767 | T | 82.3 | Confident | 77.8 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -94.4 | -27.8 | -176.3 | 56 | 0 | 0 | 0 | 0 | 113.7 | F763 Y764 I765 T769 L770 T771 V780 H879 | F763-T767 HydrophobicContact CD2-CG2 3.85Å; F763-T767 HydrophobicContact CE2-CG2 3.47Å; F763-T767 VanDerWaalsContact CE2-CG2 3.47Å; F763-T767 HydrophobicContact CZ-CG2 3.93Å; F763-T767 WeakPolarHBondContact O-CB 3.33Å; F763-T767 WeakPolarHBondContact O-CG2 3.35Å; F763-T767 PolarHBondContact O-N 2.89Å; F763-T767 PolarHBondContact O-OG1 3.03Å; Y764-T767 PolarHBondContact O-N 3.39Å; I765-T767 PolarHBondContact O-N 3.29Å; T767-T769 VanDerWaalsContact C-N 3.29Å; T767-T769 PolarHBondContact O-N 3.48Å; T767-L770 WeakPolarHBondContact O-CA 3.4Å; T767-L770 VanDerWaalsContact O-CB 3.3Å; T767-L770 WeakPolarHBondContact O-CB 3.14Å; T767-L770 PolarHBondContact O-N 2.8Å; T767-T771 PolarHBondContact O-N 3.11Å; T767-V780 VanDerWaalsContact OG1-CG1 3.32Å; T767-V780 WeakPolarHBondContact OG1-CG1 2.9Å; T767-H879 HydrophobicContact CG2-CB 4.12Å |
| 768 | K | 75.5 | Confident | 76.4 | Confident | 40 Ų | 40 | 47.3 Ų | 47.3 | 17% | 0.174 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.7 | -35 | -179.7 | -178.7 | 163.4 | 179.7 | 166.5 | 0 | 112.7 | E609 Y764 L770 T771 L772 | E609-K768 IonicContact OE1-NZ 3.95Å; E609-K768 PolarHBondContact OE1-NZ 3.04Å; E609-K768 IonicContact OE2-NZ 3.65Å; E609-K768 PolarHBondContact OE2-NZ 3Å; Y764-K768 HydrophobicContact CD1-CD 4.41Å; Y764-K768 HydrophobicContact CE1-CD 3.59Å; Y764-K768 HydrophobicContact CE2-CD 4.11Å; Y764-K768 VanDerWaalsContact CZ-CD 3.45Å; Y764-K768 WeakPolarHBondContact O-CB 3.36Å; Y764-K768 PolarHBondContact O-N 3.28Å; Y764-K768 WeakPolarHBondContact OH-CD 3.38Å; Y764-K768 PolarHBondContact OH-NZ 3.09Å; K768-L770 PolarHBondContact O-N 2.81Å; K768-T771 WeakPolarHBondContact CA-OG1 3.47Å; K768-T771 PolarHBondContact O-N 3Å; K768-T771 PolarHBondContact O-OG1 3.33Å; K768-L772 HydrophobicContact CG-CD1 4.27Å; K768-L772 HydrophobicContact CG-CG 4.29Å; K768-L772 PolarHBondContact O-N 2.92Å |
| 769 | T | 67.2 | Low | 75.4 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 42% | 0.417 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.4 | -31.4 | 172.8 | -48.6 | 0 | 0 | 0 | 0 | 111.8 | I765 T767 T773 | I765-T769 PolarHBondContact O-OG1 3.31Å; T767-T769 VanDerWaalsContact C-N 3.29Å; T767-T769 PolarHBondContact O-N 3.48Å; T769-T773 PolarHBondContact O-OG1 3.21Å |
| 770 | L | 63.6 | Low | 74.6 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -76.9 | -40.5 | 172.2 | 178.7 | 67.6 | 0 | 0 | 0 | 112.6 | T767 K768 T773 L774 H879 Y886 | T767-L770 WeakPolarHBondContact O-CA 3.4Å; T767-L770 VanDerWaalsContact O-CB 3.3Å; T767-L770 WeakPolarHBondContact O-CB 3.14Å; T767-L770 PolarHBondContact O-N 2.8Å; K768-L770 PolarHBondContact O-N 2.81Å; L770-T773 PolarHBondContact O-N 3.14Å; L770-T773 PolarHBondContact O-OG1 2.86Å; L770-L774 PolarHBondContact O-N 3.48Å; L770-H879 HydrophobicContact CD2-CB 4.22Å; L770-H879 WeakPolarHBondContact CD2-O 3.36Å; L770-Y886 HydrophobicContact CD1-CE2 3.9Å |
| 771 | T | 57.7 | Low | 74 | Confident | 18 Ų | 18 | 51 Ų | 51 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.1 | -34.6 | -179.5 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | T767 K768 T773 L774 V780 L783 | T767-T771 PolarHBondContact O-N 3.11Å; K768-T771 WeakPolarHBondContact CA-OG1 3.47Å; K768-T771 PolarHBondContact O-N 3Å; K768-T771 PolarHBondContact O-OG1 3.33Å; T771-T773 PolarHBondContact O-N 3.16Å; T771-L774 PolarHBondContact O-N 3.43Å; T771-V780 HydrophobicContact CG2-CB 4.44Å; T771-V780 HydrophobicContact CG2-CG2 3.64Å; T771-L783 HydrophobicContact CG2-CD1 4.49Å |
| 772 | L | 58.8 | Low | 73.4 | Confident | 103 Ų | 103 | 52.6 Ų | 52.6 | 54% | 0.539 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.7 | 176 | -74.5 | 170.6 | 0 | 0 | 0 | 112.4 | K768 | K768-L772 HydrophobicContact CG-CD1 4.27Å; K768-L772 HydrophobicContact CG-CG 4.29Å; K768-L772 PolarHBondContact O-N 2.92Å |
| 773 | T | 54.7 | Low | 72.6 | Confident | 60 Ų | 60 | 53.3 Ų | 53.3 | 37% | 0.368 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -18.6 | -178.1 | 43.6 | 0 | 0 | 0 | 0 | 113.1 | T769 L770 T771 K775 P883 | T769-T773 PolarHBondContact O-OG1 3.21Å; L770-T773 PolarHBondContact O-N 3.14Å; L770-T773 PolarHBondContact O-OG1 2.86Å; T771-T773 PolarHBondContact O-N 3.16Å; T773-K775 PolarHBondContact O-N 3.34Å; T773-P883 HydrophobicContact CG2-CB 3.55Å; T773-P883 HydrophobicContact CG2-CG 3.81Å |
| 774 | L | 56.2 | Low | 71.8 | Confident | 32 Ų | 32 | 55.3 Ų | 55.3 | 17% | 0.168 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -71.2 | -6.6 | -178.3 | -80.7 | 171.3 | 0 | 0 | 0 | 115.1 | L770 T771 D776 Y886 | L770-L774 PolarHBondContact O-N 3.48Å; T771-L774 PolarHBondContact O-N 3.43Å; L774-D776 PolarHBondContact O-N 3.12Å; L774-Y886 HydrophobicContact CD2-CD1 3.79Å; L774-Y886 HydrophobicContact CD2-CE1 3.37Å; L774-Y886 HydrophobicContact CD2-CE2 4.25Å; L774-Y886 HydrophobicContact CD2-CG 4.38Å |
| 775 | K | 53 | Low | 71.1 | Confident | 200 Ų | 200 | 53.4 Ų | 53.4 | 87% | 0.87 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 54.7 | -19.7 | -173.9 | -76 | -171.9 | 178.6 | -179.5 | 0 | 116.4 | T773 | T773-K775 PolarHBondContact O-N 3.34Š|
| 776 | D | 56.3 | Low | 69.8 | Low | 107 Ų | 107 | 56.6 Ų | 56.6 | 57% | 0.572 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -82.6 | 129.7 | 167.4 | -63.6 | -34 | 0 | 0 | 0 | 108.4 | L774 I778 | L774-D776 PolarHBondContact O-N 3.12Å; D776-I778 HydrophobicContact CB-CD1 3.78Å; D776-I778 HydrophobicContact CB-CG1 3.72Å; D776-I778 PolarHBondContact O-N 3.49Å |
| 777 | N | 62.2 | Low | 68.3 | Low | 173 Ų | 173 | 57.7 Ų | 57.7 | 93% | 0.925 | 31% | 0.309 | S | S | * | . | trans | -68.6 | 43.3 | 174.6 | -74.9 | -34.7 | 0 | 0 | 0 | 112.4 | R779 | N777-R779 PolarHBondContact O-N 3.29Š| ||
| 778 | I | 69.3 | Low | 66.3 | Low | 71 Ų | 71 | 63 Ų | 63 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | trans | -72.1 | 122.3 | 176.9 | -60.5 | 170.2 | 0 | 0 | 0 | 107.7 | D776 L783 | D776-I778 HydrophobicContact CB-CD1 3.78Å; D776-I778 HydrophobicContact CB-CG1 3.72Å; D776-I778 PolarHBondContact O-N 3.49Å; I778-L783 HydrophobicContact CG2-CD2 4.46Å | ||
| 779 | R | 77.7 | Confident | 64.6 | Low | 72 Ų | 72 | 66 Ų | 66 | 27% | 0.272 | 36% | 0.355 | S | S | . | . | trans | -69 | 138.3 | 174.7 | -55.8 | -176.6 | -58.6 | 146.4 | 15.4 | 108.8 | N661 N777 W781 D782 | N661-R779 VanDerWaalsContact CB-CZ 3.45Å; N661-R779 VanDerWaalsContact CB-NH1 3.28Å; N661-R779 VanDerWaalsContact CG-NH1 3.27Å; N661-R779 PolarHBondContact ND2-NH1 3Å; N661-R779 PolarHBondContact ND2-NH2 3.4Å; N777-R779 PolarHBondContact O-N 3.29Å; R779-W781 PolarHBondContact O-N 2.83Å; R779-D782 IonicContact CZ-OD2 3.52Å; R779-D782 VanDerWaalsContact CZ-OD2 3.24Å; R779-D782 IonicContact NE-OD2 3.42Å; R779-D782 PolarHBondContact NE-OD2 3.04Å; R779-D782 IonicContact NH2-OD1 2.64Å; R779-D782 PolarHBondContact NH2-OD1 2.97Å; R779-D782 IonicContact NH2-OD2 2.91Å; R779-D782 PolarHBondContact NH2-OD2 3.44Å; R779-D782 PolarHBondContact O-N 3.06Å | ||
| 780 | V | 80.7 | Confident | 63.1 | Low | 7 Ų | 7 | 67.4 Ų | 67.4 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -48.1 | -36.7 | 177 | 178 | 0 | 0 | 0 | 0 | 111.8 | F763 T767 T771 D782 L783 | F763-V780 HydrophobicContact CE1-CG1 3.57Å; F763-V780 HydrophobicContact CZ-CG1 3.61Å; T767-V780 VanDerWaalsContact OG1-CG1 3.32Å; T767-V780 WeakPolarHBondContact OG1-CG1 2.9Å; T771-V780 HydrophobicContact CG2-CB 4.44Å; T771-V780 HydrophobicContact CG2-CG2 3.64Å; V780-D782 VanDerWaalsContact C-N 3.31Å; V780-D782 PolarHBondContact O-N 3.4Å; V780-L783 HydrophobicContact CG1-CD1 4.34Å; V780-L783 WeakPolarHBondContact O-CB 3.36Å; V780-L783 WeakPolarHBondContact O-CD1 3.35Å; V780-L783 WeakPolarHBondContact O-CG 3.29Å; V780-L783 PolarHBondContact O-N 2.83Å |
| 781 | W | 84.1 | Confident | 61.8 | Low | 37 Ų | 37 | 69.7 Ų | 69.7 | 14% | 0.14 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -69.6 | -22.3 | -178 | -49.4 | 122.4 | 0 | 0 | 0 | 115 | F658 V659 G726 Y760 F763 Y764 R779 | F658-W781 AromaticContact CE1-NE1 3.7Å; V659-W781 HydrophobicContact CG1-CB 4.01Å; V659-W781 HydrophobicContact CG1-CE3 4.47Å; V659-W781 HydrophobicContact CG1-CG 4.32Å; V659-W781 HydrophobicContact CG2-CD2 4.25Å; V659-W781 HydrophobicContact CG2-CE3 4.5Å; V659-W781 HydrophobicContact CG2-CG 4.36Å; G726-W781 PolarHBondContact N-O 3Å; Y760-W781 HydrophobicContact CD1-CZ3 4.47Å; F763-W781 HydrophobicContact CD1-CH2 4.22Å; F763-W781 AromaticContact CD1-CZ3 3.96Å; F763-W781 HydrophobicContact CD1-CZ3 3.96Å; F763-W781 HydrophobicContact CE1-CE3 4.15Å; F763-W781 HydrophobicContact CE1-CH2 4.04Å; F763-W781 AromaticContact CE1-CZ3 3.49Å; F763-W781 HydrophobicContact CE1-CZ3 3.49Å; F763-W781 VanDerWaalsContact CE1-CZ3 3.49Å; Y764-W781 HydrophobicContact CD2-CH2 4.33Å; Y764-W781 AromaticContact CD2-CZ2 3.9Å; Y764-W781 HydrophobicContact CD2-CZ2 3.9Å; Y764-W781 HydrophobicContact CE2-CZ2 4.41Å; R779-W781 PolarHBondContact O-N 2.83Å |
| 782 | D | 82.5 | Confident | 60.8 | Low | 52 Ų | 52 | 71.9 Ų | 71.9 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -93.1 | 0.1 | -177.3 | -64 | -41.7 | 0 | 0 | 0 | 112.6 | R779 V780 | R779-D782 IonicContact CZ-OD2 3.52Å; R779-D782 VanDerWaalsContact CZ-OD2 3.24Å; R779-D782 IonicContact NE-OD2 3.42Å; R779-D782 PolarHBondContact NE-OD2 3.04Å; R779-D782 IonicContact NH2-OD1 2.64Å; R779-D782 PolarHBondContact NH2-OD1 2.97Å; R779-D782 IonicContact NH2-OD2 2.91Å; R779-D782 PolarHBondContact NH2-OD2 3.44Å; R779-D782 PolarHBondContact O-N 3.06Å; V780-D782 VanDerWaalsContact C-N 3.31Å; V780-D782 PolarHBondContact O-N 3.4Å |
| 783 | L | 80 | Confident | 59.5 | Low | 14 Ų | 14 | 71.9 Ų | 71.9 | 7% | 0.073 | 40% | 0.397 | C | S | . | . | trans | -59.5 | 141.5 | 174.9 | -69.3 | 168.4 | 0 | 0 | 0 | 110.9 | L725 T771 I778 V780 | L725-L783 HydrophobicContact CB-CB 4.24Å; L725-L783 VanDerWaalsContact CB-O 3.25Å; L725-L783 WeakPolarHBondContact CB-O 3.44Å; L725-L783 HydrophobicContact CD2-CB 4.07Å; L725-L783 HydrophobicContact CD2-CD1 4.27Å; L725-L783 PolarHBondContact N-O 3.12Å; T771-L783 HydrophobicContact CG2-CD1 4.49Å; I778-L783 HydrophobicContact CG2-CD2 4.46Å; V780-L783 HydrophobicContact CG1-CD1 4.34Å; V780-L783 WeakPolarHBondContact O-CB 3.36Å; V780-L783 WeakPolarHBondContact O-CD1 3.35Å; V780-L783 WeakPolarHBondContact O-CG 3.29Å; V780-L783 PolarHBondContact O-N 2.83Å | ||
| 784 | G | 76.2 | Confident | 58.6 | Low | 43 Ų | 43 | 73 Ų | 73 | 44% | 0.443 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -77.8 | 148.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H879 | G784-H879 PolarHBondContact O-CE1 2.95Å; G784-H879 VanDerWaalsContact O-CE1 3.3Å; G784-H879 PolarHBondContact O-NE2 3.22Å |
| 785 | T | 76.5 | Confident | 57.8 | Low | 3 Ų | 3 | 73.8 Ų | 73.8 | 2% | 0.018 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -89.2 | -13 | -178.3 | 61.2 | 0 | 0 | 0 | 0 | 115 | T723 L725 L961 | T723-T785 WeakPolarHBondContact CB-OG1 3.36Å; T723-T785 PolarHBondContact O-N 3.04Å; T723-T785 VanDerWaalsContact O-N 3.15Å; T723-T785 PolarHBondContact O-OG1 3.07Å; L725-T785 HydrophobicContact CB-CG2 4.37Å; L725-T785 HydrophobicContact CD1-CG2 4.15Å; T785-L961 WeakPolarHBondContact CB-O 3.2Å; T785-L961 HydrophobicContact CG2-CB 4.1Å; T785-L961 HydrophobicContact CG2-CD2 4.45Å; T785-L961 WeakPolarHBondContact CG2-O 3.27Å; T785-L961 PolarHBondContact OG1-O 3.38Å |
| 786 | S | 64.4 | Low | 57.1 | Low | 76 Ų | 76 | 70.8 Ų | 70.8 | 53% | 0.531 | 41% | 0.405 | S | S | . | . | trans | -99.1 | 147.5 | 179.5 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 787 | I | 55 | Low | 56 | Low | 27 Ų | 27 | 73.3 Ų | 73.3 | 14% | 0.138 | 42% | 0.419 | C | S | . | . | trans | -109.6 | 118.9 | 161.6 | -51.7 | 164.8 | 0 | 0 | 0 | 104.7 | D789 L878 R894 S895 | I787-D789 PolarHBondContact O-N 3.09Å; I787-L878 HydrophobicContact CD1-CD2 3.93Å; I787-L878 HydrophobicContact CG1-CD2 4.33Å; I787-R894 HydrophobicContact CG2-CB 4.04Å; I787-S895 VanDerWaalsContact CG2-CA 3.45Å | ||
| 788 | D | 40.6 | Very low | 54.7 | Low | 113 Ų | 113 | 71.8 Ų | 71.8 | 60% | 0.604 | 41% | 0.406 | S | S | * | . | trans | -56.5 | 113.5 | -178.1 | -85.3 | -31 | 0 | 0 | 0 | 111.1 | S790 | D788-S790 VanDerWaalsContact C-N 3.3Å; D788-S790 PolarHBondContact O-N 2.85Å | ||
| 789 | D | 39.7 | Very low | 52.9 | Low | 102 Ų | 102 | 76.3 Ų | 76.3 | 55% | 0.545 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -73.7 | -19.3 | -179.4 | -83 | -28.8 | 0 | 0 | 0 | 112.7 | I787 I791 H792 | I787-D789 PolarHBondContact O-N 3.09Å; D789-I791 PolarHBondContact O-N 2.86Å; D789-I791 VanDerWaalsContact O-N 3.09Å; D789-H792 VanDerWaalsContact O-CB 3.3Å; D789-H792 WeakPolarHBondContact O-CB 3.32Å; D789-H792 PolarHBondContact O-N 3.38Å; D789-H792 IonicContact OD1-CD2 3.18Å; D789-H792 PolarHBondContact OD1-CD2 3.46Å; D789-H792 VanDerWaalsContact OD1-CD2 3.31Å; D789-H792 IonicContact OD1-NE2 3.75Å |
| 790 | S | 36.3 | Very low | 50.7 | Low | 97 Ų | 97 | 78.5 Ų | 78.5 | 68% | 0.678 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -64.9 | -17.5 | -175.3 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | D788 | D788-S790 VanDerWaalsContact C-N 3.3Å; D788-S790 PolarHBondContact O-N 2.85Å |
| 791 | I | 35.9 | Very low | 48.7 | Very low | 56 Ų | 56 | 83.4 Ų | 83.4 | 29% | 0.287 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -89.4 | -11.3 | 178.5 | -57.3 | 176.4 | 0 | 0 | 0 | 111.5 | D789 S793 I795 | D789-I791 PolarHBondContact O-N 2.86Å; D789-I791 VanDerWaalsContact O-N 3.09Å; I791-S793 PolarHBondContact O-N 3.13Å; I791-I795 HydrophobicContact CG2-CD1 3.44Å; I791-I795 VanDerWaalsContact CG2-CD1 3.44Å; I791-I795 HydrophobicContact CG2-CG1 4.14Å |
| 792 | H | 35.9 | Very low | 46.5 | Very low | 64 Ų | 64 | 85.6 Ų | 85.6 | 30% | 0.296 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -38.4 | -175.4 | -97.4 | -61.1 | 0 | 0 | 0 | 114.6 | D789 S895 | D789-H792 VanDerWaalsContact O-CB 3.3Å; D789-H792 WeakPolarHBondContact O-CB 3.32Å; D789-H792 PolarHBondContact O-N 3.38Å; D789-H792 IonicContact OD1-CD2 3.18Å; D789-H792 PolarHBondContact OD1-CD2 3.46Å; D789-H792 VanDerWaalsContact OD1-CD2 3.31Å; D789-H792 IonicContact OD1-NE2 3.75Å; H792-S895 VanDerWaalsContact CE1-CB 3.44Å; H792-S895 WeakPolarHBondContact CE1-CB 3.39Å; H792-S895 PolarHBondContact CE1-OG 2.84Å; H792-S895 PolarHBondContact ND1-OG 2.93Å; H792-S895 VanDerWaalsContact NE2-CB 3.33Å; H792-S895 WeakPolarHBondContact NE2-CB 3.31Å |
| 793 | S | 33.5 | Very low | 44.7 | Very low | 104 Ų | 104 | 85 Ų | 85 | 73% | 0.727 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -28.8 | -174.5 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | I791 | I791-S793 PolarHBondContact O-N 3.13Š|
| 794 | A | 33.7 | Very low | 43.4 | Very low | 83 Ų | 83 | 87.1 Ų | 87.1 | 69% | 0.686 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -27.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 795 | I | 41.3 | Very low | 42.2 | Very low | 49 Ų | 49 | 85.6 Ų | 85.6 | 25% | 0.251 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -111.8 | 10.8 | -166.4 | -47 | -175.9 | 0 | 0 | 0 | 112.6 | I791 N797 S892 K896 | I791-I795 HydrophobicContact CG2-CD1 3.44Å; I791-I795 VanDerWaalsContact CG2-CD1 3.44Å; I791-I795 HydrophobicContact CG2-CG1 4.14Å; I795-N797 PolarHBondContact O-N 2.81Å; I795-S892 VanDerWaalsContact CD1-CB 3.48Å; I795-K896 PolarHBondContact O-NZ 2.93Å |
| 796 | Q | 36.9 | Very low | 41.5 | Very low | 137 Ų | 137 | 87.3 Ų | 87.3 | 64% | 0.64 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.5 | 177.3 | -144.8 | 173.8 | -10.8 | 0 | 0 | 112.4 | ||
| 797 | N | 34.7 | Very low | 41.8 | Very low | 159 Ų | 159 | 87.5 Ų | 87.5 | 85% | 0.85 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -1.5 | -167.2 | -70.8 | -9.5 | 0 | 0 | 0 | 118.1 | I795 | I795-N797 PolarHBondContact O-N 2.81Š|
| 798 | Q | 34.3 | Very low | 42.9 | Very low | 141 Ų | 141 | 89.5 Ų | 89.5 | 66% | 0.659 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | -25.3 | -167 | -136.6 | 166 | 8.5 | 0 | 0 | 118.3 | ||
| 799 | Y | 30.8 | Very low | 44.8 | Very low | 166 Ų | 166 | 86 Ų | 86 | 65% | 0.651 | 47% | 0.466 | S | S | * | . | trans | -147.7 | 122.7 | 179.4 | -60.9 | -79.2 | 0 | 0 | 0 | 113 | ||||
| 800 | P | 32.5 | Very low | 46.8 | Very low | 119 Ų | 119 | 81.9 Ų | 81.9 | 77% | 0.773 | 44% | 0.443 | S | S | * | . | trans | -78.2 | 125.2 | 162.4 | 29.5 | -26.6 | 0 | 0 | 0 | 108.9 | ||||
| 801 | Y | 37.4 | Very low | 49.2 | Very low | 109 Ų | 109 | 80.2 Ų | 80.2 | 43% | 0.427 | 42% | 0.424 | S | S | . | . | trans | -108.9 | 135.4 | -179 | -156.9 | -93.5 | 0 | 0 | 0 | 110.7 | E803 N885 | Y801-E803 HydrophobicContact CE1-CG 4.5Å; Y801-N885 HydrophobicContact CE1-CB 4.41Å; Y801-N885 WeakPolarHBondContact CE1-ND2 3.41Å; Y801-N885 WeakPolarHBondContact OH-CB 3.26Å; Y801-N885 PolarHBondContact OH-ND2 2.96Å; Y801-N885 PolarHBondContact OH-OD1 2.75Å | ||
| 802 | S | 38.6 | Very low | 51.9 | Low | 84 Ų | 84 | 77.7 Ų | 77.7 | 59% | 0.587 | 41% | 0.411 | S | S | * | . | trans | -98.8 | 95.9 | -174.2 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 803 | E | 44.7 | Very low | 54.5 | Low | 39 Ų | 39 | 74.7 Ų | 74.7 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | trans | -125.4 | 126.3 | 152.9 | -85.3 | -172.2 | -179.3 | 0 | 0 | 107.5 | S474 Y801 P805 R810 N882 R897 | S474-E803 WeakPolarHBondContact CB-O 3.47Å; Y801-E803 HydrophobicContact CE1-CG 4.5Å; E803-P805 WeakPolarHBondContact O-CD 3.22Å; E803-R810 IonicContact OE2-NH2 3.53Å; E803-N882 WeakPolarHBondContact OE1-CB 3.5Å; E803-R897 IonicContact OE1-CZ 2.82Å; E803-R897 IonicContact OE1-NE 3.24Å; E803-R897 IonicContact OE1-NH2 2.96Å; E803-R897 PolarHBondContact OE1-NH2 2.97Å; E803-R897 IonicContact OE2-NE 2.77Å; E803-R897 IonicContact OE2-NH2 2.73Å | ||
| 804 | N | 51.9 | Low | 57.3 | Low | 59 Ų | 59 | 69.7 Ų | 69.7 | 32% | 0.316 | 36% | 0.362 | S | S | . | . | trans | -55.8 | 112.6 | 170.5 | -100.4 | -25.9 | 0 | 0 | 0 | 108.8 | S474 Y546 L806 | S474-N804 VanDerWaalsContact CB-OD1 3.26Å; S474-N804 WeakPolarHBondContact CB-OD1 3.18Å; S474-N804 PolarHBondContact OG-OD1 3.36Å; Y546-N804 PolarHBondContact OH-ND2 2.92Å; N804-L806 PolarHBondContact O-N 2.66Å; N804-L806 VanDerWaalsContact O-N 3.15Å | ||
| 805 | P | 51.5 | Low | 60.2 | Low | 10 Ų | 10 | 65.8 Ų | 65.8 | 7% | 0.065 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -72.5 | -10.5 | -173.7 | 27.1 | -31.1 | 0 | 0 | 0 | 112.1 | L470 S474 E803 R810 A904 | L470-P805 WeakPolarHBondContact O-CG 3.33Å; S474-P805 VanDerWaalsContact CB-CD 3.45Å; S474-P805 WeakPolarHBondContact OG-CD 3.24Å; E803-P805 WeakPolarHBondContact O-CD 3.22Å; P805-R810 WeakPolarHBondContact O-CD 3.28Å; P805-R810 PolarHBondContact O-NH1 2.71Å; P805-A904 HydrophobicContact CB-CB 4.01Å; P805-A904 WeakPolarHBondContact O-CB 3.33Å |
| 806 | L | 61.3 | Low | 62.8 | Low | 39 Ų | 39 | 63.4 Ų | 63.4 | 20% | 0.204 | 32% | 0.317 | C | S | . | . | trans | -107.1 | 103.6 | 173.4 | -70.3 | 163.3 | 0 | 0 | 0 | 108 | L467 L470 F471 N804 V908 | L467-L806 HydrophobicContact CD2-CD1 4.12Å; L467-L806 HydrophobicContact CD2-CD2 4.23Å; L470-L806 HydrophobicContact CB-CD1 3.94Å; L470-L806 HydrophobicContact CB-CG 4.27Å; L470-L806 HydrophobicContact CD1-CD2 4.03Å; L470-L806 HydrophobicContact CD1-CG 4.47Å; F471-L806 HydrophobicContact CD2-CD1 3.3Å; F471-L806 HydrophobicContact CE1-CD1 4.46Å; F471-L806 HydrophobicContact CE2-CB 4.29Å; F471-L806 HydrophobicContact CE2-CD1 3.06Å; F471-L806 HydrophobicContact CE2-CG 4.26Å; F471-L806 HydrophobicContact CG-CD1 4.1Å; F471-L806 HydrophobicContact CZ-CB 4.09Å; F471-L806 HydrophobicContact CZ-CD1 3.73Å; N804-L806 PolarHBondContact O-N 2.66Å; N804-L806 VanDerWaalsContact O-N 3.15Å; L806-V908 HydrophobicContact CD2-CG2 3.3Å | ||
| 807 | N | 71.6 | Confident | 65.6 | Low | 81 Ų | 81 | 56.9 Ų | 56.9 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | trans | -127.6 | 153 | 173.7 | -174.2 | -2.1 | 0 | 0 | 0 | 107.7 | K809 R810 F811 | N807-K809 PolarHBondContact O-N 3.24Å; N807-K809 VanDerWaalsContact O-N 3.14Å; N807-R810 PolarHBondContact O-N 3.43Å; N807-F811 PolarHBondContact O-N 3.02Å | ||
| 808 | L | 77.5 | Confident | 68.5 | Low | 69 Ų | 69 | 49.3 Ų | 49.3 | 36% | 0.361 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -50 | -38.2 | 175.8 | -69.9 | 174.9 | 0 | 0 | 0 | 111.9 | V564 I567 R810 F811 R812 | V564-L808 HydrophobicContact CG2-CD1 4.4Å; I567-L808 HydrophobicContact CD1-CD1 4.39Å; L808-R810 PolarHBondContact O-N 2.93Å; L808-F811 PolarHBondContact O-N 2.76Å; L808-R812 WeakPolarHBondContact O-CB 3.26Å; L808-R812 PolarHBondContact O-N 3.2Å |
| 809 | K | 81.8 | Confident | 71.5 | Confident | 38 Ų | 38 | 42.6 Ų | 42.6 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.1 | -45.9 | 173.6 | -173.3 | -179.3 | -172.4 | -165.5 | 0 | 112.8 | E766 N807 Q813 N880 | E766-K809 PolarHBondContact O-NZ 3.17Å; E766-K809 WeakPolarHBondContact OE2-CE 3.18Å; E766-K809 IonicContact OE2-NZ 3.7Å; N807-K809 PolarHBondContact O-N 3.24Å; N807-K809 VanDerWaalsContact O-N 3.14Å; K809-Q813 WeakPolarHBondContact O-CG 3.22Å; K809-Q813 PolarHBondContact O-N 3.13Å; K809-Q813 PolarHBondContact O-OE1 3.11Å; K809-N880 WeakPolarHBondContact CE-OD1 3.37Å; K809-N880 PolarHBondContact NZ-OD1 3.02Å |
| 810 | R | 80.1 | Confident | 74.6 | Confident | 16 Ų | 16 | 34.7 Ų | 34.7 | 6% | 0.06 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -74.9 | -35.8 | -178 | -67.9 | 175.5 | -179.2 | -161.2 | 7.4 | 111.9 | E803 P805 N807 L808 Q813 S814 A904 Q905 | E803-R810 IonicContact OE2-NH2 3.53Å; P805-R810 WeakPolarHBondContact O-CD 3.28Å; P805-R810 PolarHBondContact O-NH1 2.71Å; N807-R810 PolarHBondContact O-N 3.43Å; L808-R810 PolarHBondContact O-N 2.93Å; R810-Q813 PolarHBondContact O-N 3.45Å; R810-S814 WeakPolarHBondContact O-CB 3.28Å; R810-S814 PolarHBondContact O-N 2.55Å; R810-S814 PolarHBondContact O-OG 2.9Å; R810-A904 VanDerWaalsContact NH1-CB 3.35Å; R810-Q905 HydrophobicContact CB-CG 4.31Å; R810-Q905 HydrophobicContact CG-CG 4.45Å |
| 811 | F | 88 | Confident | 77.6 | Confident | 62 Ų | 62 | 29.2 Ų | 29.2 | 27% | 0.272 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.3 | -50.4 | 170.7 | 175 | -95.3 | 0 | 0 | 0 | 111 | S571 N807 L808 Q813 S814 L815 V908 L912 | S571-F811 WeakPolarHBondContact OG-CE1 3.13Å; N807-F811 PolarHBondContact O-N 3.02Å; L808-F811 PolarHBondContact O-N 2.76Å; F811-Q813 PolarHBondContact O-N 3.43Å; F811-S814 PolarHBondContact O-N 2.89Å; F811-S814 VanDerWaalsContact O-N 3.15Å; F811-L815 HydrophobicContact CE1-CD2 4.41Å; F811-L815 WeakPolarHBondContact O-CB 3.48Å; F811-L815 PolarHBondContact O-N 3.27Å; F811-V908 HydrophobicContact CD2-CG1 3.98Å; F811-L912 HydrophobicContact CE2-CD1 4.32Å; F811-L912 HydrophobicContact CE2-CD2 3.92Å; F811-L912 HydrophobicContact CE2-CG 4.49Å; F811-L912 HydrophobicContact CZ-CD2 4.4Å |
| 812 | R | 91.2 | Very high | 80.2 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.015 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -53.8 | -50.2 | 173.9 | 178.2 | -177.1 | 69 | -143.2 | 8.9 | 111.7 | W598 D602 S604 E766 L808 S814 L815 F816 | W598-R812 HydrophobicContact CZ2-CG 4.32Å; W598-R812 VanDerWaalsContact NE1-CD 3.29Å; D602-R812 IonicContact OD1-NH1 2.86Å; D602-R812 WeakPolarHBondContact OD2-CD 3.35Å; D602-R812 IonicContact OD2-CZ 2.69Å; D602-R812 IonicContact OD2-NE 2.72Å; D602-R812 IonicContact OD2-NH1 3.27Å; D602-R812 PolarHBondContact OD2-NH1 3.39Å; S604-R812 PolarHBondContact OG-NH1 3.01Å; E766-R812 VanDerWaalsContact CD-NH2 3.32Å; E766-R812 IonicContact OE1-CZ 3Å; E766-R812 VanDerWaalsContact OE1-CZ 3.25Å; E766-R812 IonicContact OE1-NE 3.16Å; E766-R812 PolarHBondContact OE1-NE 3.45Å; E766-R812 IonicContact OE1-NH2 3.98Å; E766-R812 PolarHBondContact OE1-NH2 3.18Å; E766-R812 IonicContact OE2-NH2 2.78Å; E766-R812 PolarHBondContact OE2-NH2 3.37Å; L808-R812 WeakPolarHBondContact O-CB 3.26Å; L808-R812 PolarHBondContact O-N 3.2Å; R812-S814 VanDerWaalsContact C-N 3.27Å; R812-S814 PolarHBondContact O-N 3.41Å; R812-L815 PolarHBondContact O-N 3.3Å; R812-F816 HydrophobicContact CG-CD1 3.78Å; R812-F816 HydrophobicContact CG-CD2 4.33Å; R812-F816 HydrophobicContact CG-CE1 3.57Å; R812-F816 HydrophobicContact CG-CE2 4.1Å; R812-F816 HydrophobicContact CG-CG 4.19Å; R812-F816 HydrophobicContact CG-CZ 3.74Å; R812-F816 VanDerWaalsContact O-CB 3.32Å; R812-F816 WeakPolarHBondContact O-CB 3.38Å; R812-F816 WeakPolarHBondContact O-CD1 3.5Å; R812-F816 VanDerWaalsContact O-CG 3.31Å; R812-F816 WeakPolarHBondContact O-CG 3.5Å; R812-F816 PolarHBondContact O-N 3.02Å |
| 813 | Q | 91 | Very high | 82.9 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.4 | -39.2 | 179.7 | -72.8 | 164.1 | -24 | 0 | 0 | 112.3 | W762 E766 K809 R810 F811 F817 I876 N880 | W762-Q813 HydrophobicContact CZ2-CB 4.29Å; W762-Q813 WeakPolarHBondContact CZ2-O 3.35Å; E766-Q813 HydrophobicContact CG-CG 4.45Å; E766-Q813 PolarHBondContact OE2-NE2 3.24Å; K809-Q813 WeakPolarHBondContact O-CG 3.22Å; K809-Q813 PolarHBondContact O-N 3.13Å; K809-Q813 PolarHBondContact O-OE1 3.11Å; R810-Q813 PolarHBondContact O-N 3.45Å; F811-Q813 PolarHBondContact O-N 3.43Å; Q813-F817 WeakPolarHBondContact O-CB 3.41Å; Q813-F817 PolarHBondContact O-N 2.62Å; Q813-I876 HydrophobicContact CG-CG2 4.4Å; Q813-N880 PolarHBondContact OE1-ND2 3.09Å |
| 814 | S | 92.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -70.3 | -40.4 | 178 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | R810 F811 R812 F817 I818 Q905 | R810-S814 WeakPolarHBondContact O-CB 3.28Å; R810-S814 PolarHBondContact O-N 2.55Å; R810-S814 PolarHBondContact O-OG 2.9Å; F811-S814 PolarHBondContact O-N 2.89Å; F811-S814 VanDerWaalsContact O-N 3.15Å; R812-S814 VanDerWaalsContact C-N 3.27Å; R812-S814 PolarHBondContact O-N 3.41Å; S814-F817 PolarHBondContact O-N 3.14Å; S814-I818 WeakPolarHBondContact O-CG1 3.44Å; S814-I818 PolarHBondContact O-N 3.31Å; S814-I818 VanDerWaalsContact O-N 3.1Å; S814-Q905 PolarHBondContact OG-O 2.91Å |
| 815 | L | 95 | Very high | 86.9 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.8 | -45.3 | 174.4 | 178 | 66.3 | 0 | 0 | 0 | 111.3 | L574 L575 W598 F811 R812 F817 I818 F819 L912 | L574-L815 HydrophobicContact CD2-CD1 4.18Å; L574-L815 HydrophobicContact CD2-CD2 4.02Å; L574-L815 HydrophobicContact CD2-CG 3.94Å; L575-L815 HydrophobicContact CD1-CD1 4.39Å; L575-L815 HydrophobicContact CD2-CD1 3.8Å; L575-L815 HydrophobicContact CG-CD1 3.86Å; W598-L815 HydrophobicContact CH2-CD2 3.55Å; W598-L815 HydrophobicContact CZ2-CD2 4.21Å; W598-L815 HydrophobicContact CZ3-CD2 4.17Å; F811-L815 HydrophobicContact CE1-CD2 4.41Å; F811-L815 WeakPolarHBondContact O-CB 3.48Å; F811-L815 PolarHBondContact O-N 3.27Å; R812-L815 PolarHBondContact O-N 3.3Å; L815-F817 VanDerWaalsContact C-N 3.31Å; L815-F817 PolarHBondContact O-N 3.45Å; L815-I818 PolarHBondContact O-N 2.87Å; L815-F819 WeakPolarHBondContact O-CB 3.45Å; L815-F819 PolarHBondContact O-N 3.27Å; L815-L912 HydrophobicContact CB-CD1 4.2Å; L815-L912 HydrophobicContact CD1-CD1 4.46Å |
| 816 | F | 96.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 178.3 | -79.9 | 24.3 | 0 | 0 | 0 | 111.1 | F595 W598 F605 W616 W762 R812 F819 L820 | F595-F816 HydrophobicContact CD2-CD1 4.22Å; F595-F816 AromaticContact CD2-CE1 3.96Å; F595-F816 HydrophobicContact CD2-CE1 3.96Å; F595-F816 HydrophobicContact CD2-CZ 4.13Å; F595-F816 HydrophobicContact CE2-CB 4.14Å; F595-F816 AromaticContact CE2-CD1 3.45Å; F595-F816 HydrophobicContact CE2-CD1 3.45Å; F595-F816 VanDerWaalsContact CE2-CD1 3.45Å; F595-F816 AromaticContact CE2-CD2 3.55Å; F595-F816 HydrophobicContact CE2-CD2 3.55Å; F595-F816 AromaticContact CE2-CE1 3.49Å; F595-F816 HydrophobicContact CE2-CE1 3.49Å; F595-F816 VanDerWaalsContact CE2-CE1 3.49Å; F595-F816 AromaticContact CE2-CE2 3.62Å; F595-F816 HydrophobicContact CE2-CE2 3.62Å; F595-F816 AromaticContact CE2-CG 3.46Å; F595-F816 HydrophobicContact CE2-CG 3.46Å; F595-F816 VanDerWaalsContact CE2-CG 3.46Å; F595-F816 AromaticContact CE2-CZ 3.57Å; F595-F816 HydrophobicContact CE2-CZ 3.57Å; F595-F816 HydrophobicContact CZ-CB 4.43Å; F595-F816 HydrophobicContact CZ-CD1 4.37Å; F595-F816 AromaticContact CZ-CD2 3.64Å; F595-F816 HydrophobicContact CZ-CD2 3.64Å; F595-F816 HydrophobicContact CZ-CE1 4.47Å; F595-F816 AromaticContact CZ-CE2 3.81Å; F595-F816 HydrophobicContact CZ-CE2 3.81Å; F595-F816 AromaticContact CZ-CG 3.94Å; F595-F816 HydrophobicContact CZ-CG 3.94Å; F595-F816 HydrophobicContact CZ-CZ 4.2Å; W598-F816 HydrophobicContact CB-CZ 4.03Å; W598-F816 AromaticContact CD1-CE1 3.96Å; W598-F816 AromaticContact CD1-CZ 3.42Å; W598-F816 VanDerWaalsContact CD1-CZ 3.42Å; W598-F816 AromaticContact CD2-CE1 3.59Å; W598-F816 HydrophobicContact CD2-CE1 3.59Å; W598-F816 AromaticContact CD2-CZ 3.76Å; W598-F816 HydrophobicContact CD2-CZ 3.76Å; W598-F816 AromaticContact CE2-CE1 3.57Å; W598-F816 AromaticContact CE2-CZ 3.89Å; W598-F816 HydrophobicContact CE3-CE1 4.12Å; W598-F816 AromaticContact CG-CE1 3.82Å; W598-F816 HydrophobicContact CG-CE1 3.82Å; W598-F816 AromaticContact CG-CZ 3.44Å; W598-F816 HydrophobicContact CG-CZ 3.44Å; W598-F816 VanDerWaalsContact CG-CZ 3.44Å; W598-F816 HydrophobicContact CZ2-CE1 4.07Å; W598-F816 AromaticContact NE1-CE1 3.81Å; W598-F816 AromaticContact NE1-CZ 3.68Å; F605-F816 HydrophobicContact CD1-CE2 4.28Å; F605-F816 HydrophobicContact CD1-CZ 4.45Å; F605-F816 HydrophobicContact CD2-CE2 4.38Å; F605-F816 AromaticContact CE1-CE2 3.88Å; F605-F816 HydrophobicContact CE1-CE2 3.88Å; F605-F816 HydrophobicContact CE1-CZ 4.38Å; F605-F816 AromaticContact CE2-CE2 3.97Å; F605-F816 HydrophobicContact CE2-CE2 3.97Å; F605-F816 AromaticContact CZ-CE2 3.71Å; F605-F816 HydrophobicContact CZ-CE2 3.71Å; W616-F816 HydrophobicContact CH2-CE2 4.17Å; W616-F816 HydrophobicContact CZ2-CE2 4.34Å; W762-F816 AromaticContact CD1-CD2 3.64Å; W762-F816 HydrophobicContact CD2-CB 4.47Å; W762-F816 HydrophobicContact CD2-CD2 4.38Å; W762-F816 AromaticContact CE2-CD2 3.92Å; W762-F816 HydrophobicContact CG-CD2 4.21Å; W762-F816 HydrophobicContact CH2-CB 4.19Å; W762-F816 HydrophobicContact CZ2-CB 3.66Å; W762-F816 AromaticContact NE1-CD2 3.44Å; R812-F816 HydrophobicContact CG-CD1 3.78Å; R812-F816 HydrophobicContact CG-CD2 4.33Å; R812-F816 HydrophobicContact CG-CE1 3.57Å; R812-F816 HydrophobicContact CG-CE2 4.1Å; R812-F816 HydrophobicContact CG-CG 4.19Å; R812-F816 HydrophobicContact CG-CZ 3.74Å; R812-F816 VanDerWaalsContact O-CB 3.32Å; R812-F816 WeakPolarHBondContact O-CB 3.38Å; R812-F816 WeakPolarHBondContact O-CD1 3.5Å; R812-F816 VanDerWaalsContact O-CG 3.31Å; R812-F816 WeakPolarHBondContact O-CG 3.5Å; R812-F816 PolarHBondContact O-N 3.02Å; F816-F819 PolarHBondContact O-N 3.4Å; F816-L820 WeakPolarHBondContact O-CB 3.48Å; F816-L820 WeakPolarHBondContact O-CG 3.4Å; F816-L820 PolarHBondContact O-N 3.38Å |
| 817 | F | 95.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.2 | -49.3 | 173 | 177.3 | -100.5 | 0 | 0 | 0 | 111.6 | W762 Q813 S814 L815 F819 L820 L821 L869 Y873 T909 G950 | W762-F817 HydrophobicContact CH2-CB 4.07Å; Q813-F817 WeakPolarHBondContact O-CB 3.41Å; Q813-F817 PolarHBondContact O-N 2.62Å; S814-F817 PolarHBondContact O-N 3.14Å; L815-F817 VanDerWaalsContact C-N 3.31Å; L815-F817 PolarHBondContact O-N 3.45Å; F817-F819 PolarHBondContact O-N 2.68Å; F817-L820 PolarHBondContact O-N 2.74Å; F817-L821 HydrophobicContact CE1-CD2 4.06Å; F817-L821 HydrophobicContact CZ-CD1 4.1Å; F817-L821 HydrophobicContact CZ-CD2 4.35Å; F817-L821 WeakPolarHBondContact O-CB 3.49Å; F817-L821 PolarHBondContact O-N 3.11Å; F817-L869 HydrophobicContact CD2-CD2 3.93Å; F817-L869 HydrophobicContact CD2-CG 3.97Å; F817-L869 HydrophobicContact CE2-CD2 3.89Å; F817-L869 HydrophobicContact CE2-CG 3.91Å; F817-Y873 HydrophobicContact CB-CD1 4.48Å; F817-Y873 HydrophobicContact CB-CD2 4.08Å; F817-Y873 HydrophobicContact CB-CE1 4.15Å; F817-Y873 HydrophobicContact CB-CE2 3.74Å; F817-Y873 HydrophobicContact CB-CG 4.43Å; F817-Y873 HydrophobicContact CD1-CD1 4.44Å; F817-Y873 HydrophobicContact CD1-CE1 4.07Å; F817-Y873 AromaticContact CD2-CD1 3.41Å; F817-Y873 HydrophobicContact CD2-CD1 3.41Å; F817-Y873 VanDerWaalsContact CD2-CD1 3.41Å; F817-Y873 AromaticContact CD2-CD2 3.95Å; F817-Y873 HydrophobicContact CD2-CD2 3.95Å; F817-Y873 AromaticContact CD2-CE1 3.8Å; F817-Y873 HydrophobicContact CD2-CE1 3.8Å; F817-Y873 HydrophobicContact CD2-CE2 4.31Å; F817-Y873 AromaticContact CD2-CG 3.48Å; F817-Y873 HydrophobicContact CD2-CG 3.48Å; F817-Y873 VanDerWaalsContact CD2-CG 3.48Å; F817-Y873 HydrophobicContact CE1-CE1 4.47Å; F817-Y873 AromaticContact CE2-CD1 3.65Å; F817-Y873 HydrophobicContact CE2-CD1 3.65Å; F817-Y873 HydrophobicContact CE2-CE1 4.22Å; F817-Y873 AromaticContact CE2-CG 4Å; F817-Y873 HydrophobicContact CE2-CG 4Å; F817-Y873 AromaticContact CG-CD1 3.85Å; F817-Y873 HydrophobicContact CG-CD1 3.85Å; F817-Y873 HydrophobicContact CG-CD2 4.26Å; F817-Y873 AromaticContact CG-CE1 3.71Å; F817-Y873 HydrophobicContact CG-CE1 3.71Å; F817-Y873 HydrophobicContact CG-CE2 4.15Å; F817-Y873 HydrophobicContact CG-CG 4.1Å; F817-Y873 AromaticContact CG-CZ 3.86Å; F817-Y873 HydrophobicContact CZ-CD1 4.28Å; F817-T909 HydrophobicContact CD1-CG2 3.87Å; F817-T909 HydrophobicContact CE1-CG2 4.11Å; F817-G950 VanDerWaalsContact CE1-CA 3.47Å |
| 818 | I | 95.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 178.4 | -70 | 176.1 | 0 | 0 | 0 | 111.3 | L578 S814 L815 L821 I822 T909 L912 I916 I946 | L578-I818 HydrophobicContact CD1-CG2 4.43Å; S814-I818 WeakPolarHBondContact O-CG1 3.44Å; S814-I818 PolarHBondContact O-N 3.31Å; S814-I818 VanDerWaalsContact O-N 3.1Å; L815-I818 PolarHBondContact O-N 2.87Å; I818-L821 PolarHBondContact O-N 3.41Å; I818-I822 HydrophobicContact CG2-CD1 3.86Å; I818-I822 WeakPolarHBondContact O-CG1 3.28Å; I818-I822 PolarHBondContact O-N 2.98Å; I818-T909 HydrophobicContact CD1-CG2 4.09Å; I818-T909 HydrophobicContact CG1-CG2 3.93Å; I818-L912 HydrophobicContact CD1-CB 3.3Å; I818-L912 HydrophobicContact CD1-CD1 3.97Å; I818-L912 HydrophobicContact CD1-CG 4.29Å; I818-I916 HydrophobicContact CG2-CD1 3.95Å; I818-I946 HydrophobicContact CD1-CG2 4.37Å; I818-I946 HydrophobicContact CG1-CG2 3.95Å |
| 819 | F | 96.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -55.6 | -54.4 | 176.1 | 166.1 | -98.8 | 0 | 0 | 0 | 111.1 | L574 L578 A591 C592 F595 L815 F816 F817 L821 I822 I823 | L574-F819 HydrophobicContact CD1-CD2 3.81Å; L574-F819 HydrophobicContact CD1-CE2 4.19Å; L574-F819 HydrophobicContact CD2-CB 4.22Å; L574-F819 HydrophobicContact CD2-CD2 4.37Å; L574-F819 HydrophobicContact CD2-CG 4.41Å; L574-F819 HydrophobicContact CG-CD2 4.31Å; L578-F819 HydrophobicContact CD1-CB 4.12Å; L578-F819 HydrophobicContact CD1-CD2 4.37Å; L578-F819 HydrophobicContact CD2-CD2 3.91Å; L578-F819 HydrophobicContact CG-CD2 4.45Å; A591-F819 HydrophobicContact CB-CD2 4.34Å; A591-F819 HydrophobicContact CB-CE2 3.83Å; C592-F819 HydrophobicContact CB-CZ 4.42Å; F595-F819 HydrophobicContact CB-CE1 3.99Å; F595-F819 HydrophobicContact CB-CE2 4.32Å; F595-F819 HydrophobicContact CB-CZ 3.85Å; F595-F819 HydrophobicContact CD1-CD1 4.09Å; F595-F819 AromaticContact CD1-CE1 3.44Å; F595-F819 HydrophobicContact CD1-CE1 3.44Å; F595-F819 VanDerWaalsContact CD1-CE1 3.44Å; F595-F819 HydrophobicContact CD1-CZ 4.05Å; F595-F819 AromaticContact CD2-CD1 3.65Å; F595-F819 HydrophobicContact CD2-CD1 3.65Å; F595-F819 AromaticContact CD2-CE1 3.77Å; F595-F819 HydrophobicContact CD2-CE1 3.77Å; F595-F819 HydrophobicContact CD2-CG 4.2Å; F595-F819 HydrophobicContact CD2-CZ 4.39Å; F595-F819 HydrophobicContact CE1-CD1 4.09Å; F595-F819 AromaticContact CE1-CE1 3.7Å; F595-F819 HydrophobicContact CE1-CE1 3.7Å; F595-F819 AromaticContact CE2-CD1 3.62Å; F595-F819 HydrophobicContact CE2-CD1 3.62Å; F595-F819 AromaticContact CE2-CE1 3.99Å; F595-F819 HydrophobicContact CE2-CE1 3.99Å; F595-F819 HydrophobicContact CE2-CG 4.37Å; F595-F819 AromaticContact CG-CD1 3.88Å; F595-F819 HydrophobicContact CG-CD1 3.88Å; F595-F819 AromaticContact CG-CE1 3.47Å; F595-F819 HydrophobicContact CG-CE1 3.47Å; F595-F819 VanDerWaalsContact CG-CE1 3.47Å; F595-F819 AromaticContact CG-CZ 3.87Å; F595-F819 HydrophobicContact CG-CZ 3.87Å; F595-F819 AromaticContact CZ-CD1 3.85Å; F595-F819 HydrophobicContact CZ-CD1 3.85Å; F595-F819 AromaticContact CZ-CE1 3.97Å; F595-F819 HydrophobicContact CZ-CE1 3.97Å; L815-F819 WeakPolarHBondContact O-CB 3.45Å; L815-F819 PolarHBondContact O-N 3.27Å; F816-F819 PolarHBondContact O-N 3.4Å; F817-F819 PolarHBondContact O-N 2.68Å; F819-L821 VanDerWaalsContact C-N 3.3Å; F819-L821 PolarHBondContact O-N 3.49Å; F819-I822 PolarHBondContact O-N 3.23Å; F819-I823 HydrophobicContact CD2-CG1 4.21Å; F819-I823 HydrophobicContact CE1-CG1 4.24Å; F819-I823 HydrophobicContact CE2-CD1 4.14Å; F819-I823 HydrophobicContact CE2-CG1 3.76Å; F819-I823 HydrophobicContact CZ-CD1 4.35Å; F819-I823 HydrophobicContact CZ-CG1 3.77Å; F819-I823 VanDerWaalsContact O-CG1 3.3Å; F819-I823 WeakPolarHBondContact O-CG1 3.41Å; F819-I823 PolarHBondContact O-N 3.33Å |
| 820 | L | 96.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -67.2 | -30.6 | -179.5 | -69.4 | 173.9 | 0 | 0 | 0 | 112.4 | F595 F755 V758 T759 W762 F816 F817 G824 L869 | F595-L820 HydrophobicContact CE1-CD2 4.5Å; F755-L820 HydrophobicContact CD2-CD2 4.36Å; F755-L820 HydrophobicContact CE2-CB 3.97Å; F755-L820 HydrophobicContact CE2-CD2 3.82Å; F755-L820 HydrophobicContact CE2-CG 4.47Å; F755-L820 VanDerWaalsContact CE2-O 3.27Å; F755-L820 WeakPolarHBondContact CE2-O 3.22Å; F755-L820 HydrophobicContact CZ-CB 4.15Å; F755-L820 WeakPolarHBondContact CZ-O 3.28Å; V758-L820 HydrophobicContact CG1-CD2 4.15Å; T759-L820 HydrophobicContact CG2-CD1 4.41Å; W762-L820 HydrophobicContact CD2-CD1 4.24Å; W762-L820 HydrophobicContact CE3-CD1 3.44Å; W762-L820 VanDerWaalsContact CE3-CD1 3.44Å; W762-L820 HydrophobicContact CZ3-CD1 3.73Å; F816-L820 WeakPolarHBondContact O-CB 3.48Å; F816-L820 WeakPolarHBondContact O-CG 3.4Å; F816-L820 PolarHBondContact O-N 3.38Å; F817-L820 PolarHBondContact O-N 2.74Å; L820-G824 WeakPolarHBondContact O-CA 3.08Å; L820-G824 PolarHBondContact O-N 3.38Å; L820-L869 HydrophobicContact CB-CD1 3.76Å; L820-L869 HydrophobicContact CB-CD2 3.68Å; L820-L869 HydrophobicContact CB-CG 4.39Å; L820-L869 HydrophobicContact CD1-CD1 3.82Å; L820-L869 HydrophobicContact CG-CD1 4.45Å |
| 821 | L | 94.8 | Very high | 87.9 | Confident | 3 Ų | 3 | 9.6 Ų | 9.6 | 2% | 0.016 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65.7 | -46.2 | 176.8 | -172.5 | 73.9 | 0 | 0 | 0 | 110.8 | F817 I818 F819 G824 F825 M866 L869 I946 A949 F953 | F817-L821 HydrophobicContact CE1-CD2 4.06Å; F817-L821 HydrophobicContact CZ-CD1 4.1Å; F817-L821 HydrophobicContact CZ-CD2 4.35Å; F817-L821 WeakPolarHBondContact O-CB 3.49Å; F817-L821 PolarHBondContact O-N 3.11Å; I818-L821 PolarHBondContact O-N 3.41Å; F819-L821 VanDerWaalsContact C-N 3.3Å; F819-L821 PolarHBondContact O-N 3.49Å; L821-G824 PolarHBondContact O-N 2.76Å; L821-F825 WeakPolarHBondContact O-CB 3.48Å; L821-F825 PolarHBondContact O-N 2.84Å; L821-M866 HydrophobicContact CD1-CB 3.86Å; L821-M866 HydrophobicContact CD1-CE 3.56Å; L821-M866 HydrophobicContact CD1-CG 4Å; L821-M866 HydrophobicContact CD2-CE 4.4Å; L821-M866 HydrophobicContact CG-CE 3.82Å; L821-L869 HydrophobicContact CB-CD2 3.95Å; L821-L869 HydrophobicContact CD1-CD2 4.21Å; L821-L869 VanDerWaalsContact N-CD2 3.32Å; L821-I946 HydrophobicContact CD2-CB 4.27Å; L821-I946 HydrophobicContact CD2-CG1 4.11Å; L821-I946 HydrophobicContact CD2-CG2 3.87Å; L821-A949 HydrophobicContact CD2-CB 4.36Å; L821-F953 HydrophobicContact CD1-CD2 4.06Å; L821-F953 HydrophobicContact CD1-CE2 3.97Å |
| 822 | I | 93.3 | Very high | 86.2 | Confident | 4 Ų | 4 | 7.4 Ų | 7.4 | 2% | 0.021 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67.6 | -43.5 | 177.6 | -67.7 | 170.1 | 0 | 0 | 0 | 110.4 | L578 F582 L588 I818 F819 G824 F825 F826 I916 I946 | L578-I822 HydrophobicContact CB-CD1 4.07Å; L578-I822 HydrophobicContact CD1-CD1 4.18Å; L578-I822 HydrophobicContact CD2-CB 4.06Å; L578-I822 HydrophobicContact CD2-CD1 4.22Å; L578-I822 HydrophobicContact CD2-CG2 3.9Å; L578-I822 HydrophobicContact CG-CD1 4.39Å; F582-I822 HydrophobicContact CE2-CD1 4.2Å; F582-I822 HydrophobicContact CE2-CG1 4.45Å; F582-I822 HydrophobicContact CE2-CG2 4.02Å; F582-I822 HydrophobicContact CZ-CG2 4.33Å; L588-I822 HydrophobicContact CD2-CG2 4.32Å; I818-I822 HydrophobicContact CG2-CD1 3.86Å; I818-I822 WeakPolarHBondContact O-CG1 3.28Å; I818-I822 PolarHBondContact O-N 2.98Å; F819-I822 PolarHBondContact O-N 3.23Å; I822-G824 VanDerWaalsContact C-N 3.31Å; I822-G824 PolarHBondContact O-N 2.88Å; I822-F825 WeakPolarHBondContact O-CB 3.45Å; I822-F825 PolarHBondContact O-N 2.9Å; I822-F826 HydrophobicContact CG2-CD2 3.77Å; I822-F826 HydrophobicContact CG2-CE2 3.84Å; I822-F826 WeakPolarHBondContact O-CD2 3.39Å; I822-F826 PolarHBondContact O-N 3.23Å; I822-I916 HydrophobicContact CD1-CD1 4.36Å; I822-I946 HydrophobicContact CD1-CD1 4.04Å; I822-I946 HydrophobicContact CG1-CD1 4.14Å |
| 823 | I | 94 | Very high | 84.3 | Confident | 3 Ų | 3 | 9.2 Ų | 9.2 | 2% | 0.015 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.2 | -42.5 | 174.3 | -66.3 | -64.9 | 0 | 0 | 0 | 111.1 | L588 L623 F751 F755 F819 F825 F826 G827 | L588-I823 HydrophobicContact CB-CD1 3.87Å; L588-I823 HydrophobicContact CD2-CD1 4.32Å; L588-I823 HydrophobicContact CG-CD1 4.47Å; L623-I823 HydrophobicContact CD1-CG2 4.1Å; L623-I823 HydrophobicContact CD2-CG2 4.01Å; L623-I823 HydrophobicContact CG-CG2 4.12Å; F751-I823 HydrophobicContact CE2-CG2 3.81Å; F751-I823 HydrophobicContact CZ-CG2 4.05Å; F751-I823 WeakPolarHBondContact CZ-O 3.32Å; F755-I823 HydrophobicContact CD2-CG2 4.29Å; F755-I823 HydrophobicContact CE2-CG2 4.41Å; F819-I823 HydrophobicContact CD2-CG1 4.21Å; F819-I823 HydrophobicContact CE1-CG1 4.24Å; F819-I823 HydrophobicContact CE2-CD1 4.14Å; F819-I823 HydrophobicContact CE2-CG1 3.76Å; F819-I823 HydrophobicContact CZ-CD1 4.35Å; F819-I823 HydrophobicContact CZ-CG1 3.77Å; F819-I823 VanDerWaalsContact O-CG1 3.3Å; F819-I823 WeakPolarHBondContact O-CG1 3.41Å; F819-I823 PolarHBondContact O-N 3.33Å; I823-F825 VanDerWaalsContact C-N 3.31Å; I823-F825 PolarHBondContact O-N 3.37Å; I823-F826 PolarHBondContact O-N 3.42Å; I823-G827 PolarHBondContact O-N 2.94Å |
| 824 | G | 92.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.5 | -43.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L820 L821 I822 P865 | L820-G824 WeakPolarHBondContact O-CA 3.08Å; L820-G824 PolarHBondContact O-N 3.38Å; L821-G824 PolarHBondContact O-N 2.76Å; I822-G824 VanDerWaalsContact C-N 3.31Å; I822-G824 PolarHBondContact O-N 2.88Å; G824-P865 WeakPolarHBondContact O-CG 3.42Å |
| 825 | F | 89.3 | Confident | 80.5 | Confident | 9 Ų | 9 | 21.1 Ų | 21.1 | 4% | 0.039 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.8 | -54.4 | 175 | 176.4 | -97.7 | 0 | 0 | 0 | 111.7 | L821 I822 I823 G827 T828 I831 V862 I942 | L821-F825 WeakPolarHBondContact O-CB 3.48Å; L821-F825 PolarHBondContact O-N 2.84Å; I822-F825 WeakPolarHBondContact O-CB 3.45Å; I822-F825 PolarHBondContact O-N 2.9Å; I823-F825 VanDerWaalsContact C-N 3.31Å; I823-F825 PolarHBondContact O-N 3.37Å; F825-G827 VanDerWaalsContact C-N 3.28Å; F825-G827 PolarHBondContact O-N 2.66Å; F825-T828 PolarHBondContact O-N 3.05Å; F825-T828 PolarHBondContact O-OG1 2.75Å; F825-I831 HydrophobicContact CE2-CB 3.89Å; F825-I831 HydrophobicContact CE2-CD1 3.75Å; F825-I831 HydrophobicContact CE2-CG1 3.65Å; F825-I831 HydrophobicContact CZ-CB 3.87Å; F825-I831 HydrophobicContact CZ-CG1 4.11Å; F825-V862 HydrophobicContact CD2-CG1 3.9Å; F825-V862 HydrophobicContact CE2-CG1 4.24Å; F825-I942 HydrophobicContact CE1-CD1 4.05Å; F825-I942 HydrophobicContact CE2-CD1 4.29Å; F825-I942 HydrophobicContact CZ-CD1 3.56Å; F825-I942 HydrophobicContact CZ-CG1 4.37Å |
| 826 | F | 87.8 | Confident | 78.8 | Confident | 8 Ų | 8 | 23.5 Ų | 23.5 | 4% | 0.035 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.6 | -21.2 | -177.7 | -81.6 | -75.9 | 0 | 0 | 0 | 114.7 | F582 R585 L588 I822 I823 T828 | F582-F826 HydrophobicContact CB-CZ 4.39Å; F582-F826 HydrophobicContact CD1-CE2 4Å; F582-F826 AromaticContact CD1-CZ 3.65Å; F582-F826 HydrophobicContact CD1-CZ 3.65Å; F582-F826 HydrophobicContact CD2-CE2 4.21Å; F582-F826 HydrophobicContact CD2-CZ 4.42Å; F582-F826 AromaticContact CE1-CE2 3.93Å; F582-F826 HydrophobicContact CE1-CE2 3.93Å; F582-F826 AromaticContact CE1-CZ 3.95Å; F582-F826 HydrophobicContact CE1-CZ 3.95Å; F582-F826 HydrophobicContact CE2-CE2 4.14Å; F582-F826 HydrophobicContact CG-CE2 4.14Å; F582-F826 AromaticContact CG-CZ 3.9Å; F582-F826 HydrophobicContact CG-CZ 3.9Å; F582-F826 HydrophobicContact CZ-CE2 4Å; F582-F826 HydrophobicContact CZ-CZ 4.47Å; R585-F826 HydrophobicContact CG-CD1 4.42Å; L588-F826 HydrophobicContact CD1-CB 3.91Å; L588-F826 HydrophobicContact CD1-CD1 4.26Å; L588-F826 HydrophobicContact CD1-CD2 3.51Å; L588-F826 HydrophobicContact CD1-CE2 4.1Å; L588-F826 HydrophobicContact CD1-CG 3.62Å; I822-F826 HydrophobicContact CG2-CD2 3.77Å; I822-F826 HydrophobicContact CG2-CE2 3.84Å; I822-F826 WeakPolarHBondContact O-CD2 3.39Å; I822-F826 PolarHBondContact O-N 3.23Å; I823-F826 PolarHBondContact O-N 3.42Å; F826-T828 VanDerWaalsContact C-N 3.33Å; F826-T828 PolarHBondContact O-N 3.42Å |
| 827 | G | 85.7 | Confident | 77.5 | Confident | 5 Ų | 5 | 24.4 Ų | 24.4 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -12.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | I632 F751 I823 F825 | I632-G827 WeakPolarHBondContact CD1-O 3.41Å; F751-G827 WeakPolarHBondContact CD1-O 3.45Å; I823-G827 PolarHBondContact O-N 2.94Å; F825-G827 VanDerWaalsContact C-N 3.28Å; F825-G827 PolarHBondContact O-N 2.66Å |
| 828 | T | 80.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -7 | 176.7 | 50 | 0 | 0 | 0 | 0 | 114.9 | I632 L740 F825 F826 P865 | I632-T828 VanDerWaalsContact CD1-C 3.43Å; L740-T828 HydrophobicContact CD1-CG2 3.72Å; L740-T828 HydrophobicContact CD2-CG2 4.46Å; F825-T828 PolarHBondContact O-N 3.05Å; F825-T828 PolarHBondContact O-OG1 2.75Å; F826-T828 VanDerWaalsContact C-N 3.33Å; F826-T828 PolarHBondContact O-N 3.42Å; T828-P865 HydrophobicContact CG2-CG 3.72Å |
| 829 | G | 70.6 | Confident | 75.5 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | trans | 127.4 | 163.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 830 | N | 64.7 | Low | 74.8 | Confident | 46 Ų | 46 | 32.3 Ų | 32.3 | 25% | 0.246 | 18% | 0.177 | C | C | . | . | trans | -99.1 | 121 | -178.6 | -172.6 | -2.1 | 0 | 0 | 0 | 111 | A832 F837 | N830-A832 PolarHBondContact O-N 2.84Å; N830-A832 VanDerWaalsContact OD1-CB 3.24Å; N830-A832 WeakPolarHBondContact OD1-CB 3.25Å; N830-A832 PolarHBondContact OD1-N 2.81Å; N830-F837 WeakPolarHBondContact O-CE2 3.48Å | ||
| 831 | I | 54.2 | Low | 74.4 | Confident | 53 Ų | 53 | 32.5 Ų | 32.5 | 27% | 0.272 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -63.7 | -27.1 | 174.5 | -68.3 | -174.8 | 0 | 0 | 0 | 112.4 | F825 S833 I834 L859 V862 | F825-I831 HydrophobicContact CE2-CB 3.89Å; F825-I831 HydrophobicContact CE2-CD1 3.75Å; F825-I831 HydrophobicContact CE2-CG1 3.65Å; F825-I831 HydrophobicContact CZ-CB 3.87Å; F825-I831 HydrophobicContact CZ-CG1 4.11Å; I831-S833 CarbonylContact O-C 3.54Å; I831-S833 PolarHBondContact O-N 2.87Å; I831-I834 HydrophobicContact CG2-CD1 4.45Å; I831-I834 HydrophobicContact CG2-CG1 4.23Å; I831-I834 PolarHBondContact O-N 2.85Å; I831-I834 VanDerWaalsContact O-N 3.1Å; I831-L859 HydrophobicContact CD1-CD1 4.13Å; I831-V862 HydrophobicContact CD1-CB 4.38Å; I831-V862 HydrophobicContact CD1-CG1 3.92Å; I831-V862 HydrophobicContact CG1-CG1 4.1Å; I831-V862 HydrophobicContact CG1-CG2 4.28Å |
| 832 | A | 53.1 | Low | 74.1 | Confident | 15 Ų | 15 | 32.5 Ų | 32.5 | 12% | 0.124 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -55.4 | -17.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N830 T935 | N830-A832 PolarHBondContact O-N 2.84Å; N830-A832 VanDerWaalsContact OD1-CB 3.24Å; N830-A832 WeakPolarHBondContact OD1-CB 3.25Å; N830-A832 PolarHBondContact OD1-N 2.81Å; A832-T935 HydrophobicContact CB-CG2 4.29Å |
| 833 | S | 52.1 | Low | 73.9 | Confident | 42 Ų | 42 | 33.9 Ų | 33.9 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -133.2 | 85.8 | 162.2 | 52.3 | 0 | 0 | 0 | 0 | 110.3 | I831 N835 S836 | I831-S833 CarbonylContact O-C 3.54Å; I831-S833 PolarHBondContact O-N 2.87Å; S833-N835 PolarHBondContact O-N 3.43Å; S833-N835 VanDerWaalsContact O-N 3.09Å; S833-S836 VanDerWaalsContact O-CB 3.32Å; S833-S836 WeakPolarHBondContact O-CB 3.35Å; S833-S836 PolarHBondContact O-N 3.12Å; S833-S836 PolarHBondContact O-OG 3.3Å; S833-S836 WeakPolarHBondContact OG-CB 3.47Å; S833-S836 PolarHBondContact OG-OG 3.5Å |
| 834 | I | 50.1 | Low | 73.9 | Confident | 87 Ų | 87 | 34 Ų | 34 | 45% | 0.446 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -51.9 | -32.7 | 168.8 | -67.3 | 174.5 | 0 | 0 | 0 | 110.5 | I831 S836 F837 | I831-I834 HydrophobicContact CG2-CD1 4.45Å; I831-I834 HydrophobicContact CG2-CG1 4.23Å; I831-I834 PolarHBondContact O-N 2.85Å; I831-I834 VanDerWaalsContact O-N 3.1Å; I834-S836 PolarHBondContact O-N 3.25Å; I834-F837 WeakPolarHBondContact O-CD2 3.35Å; I834-F837 PolarHBondContact O-N 2.91Å; I834-F837 VanDerWaalsContact O-N 3.1Å |
| 835 | N | 53.6 | Low | 73.9 | Confident | 164 Ų | 164 | 34.2 Ų | 34.2 | 88% | 0.877 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -64.4 | -16 | 175.1 | -63.3 | -7.5 | 0 | 0 | 0 | 114.1 | S833 F837 | S833-N835 PolarHBondContact O-N 3.43Å; S833-N835 VanDerWaalsContact O-N 3.09Å; N835-F837 VanDerWaalsContact C-N 3.34Å |
| 836 | S | 58.4 | Low | 73.9 | Confident | 50 Ų | 50 | 34.4 Ų | 34.4 | 35% | 0.35 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -83 | -10.9 | 174.7 | 72.5 | 0 | 0 | 0 | 0 | 113.5 | S833 I834 D838 | S833-S836 VanDerWaalsContact O-CB 3.32Å; S833-S836 WeakPolarHBondContact O-CB 3.35Å; S833-S836 PolarHBondContact O-N 3.12Å; S833-S836 PolarHBondContact O-OG 3.3Å; S833-S836 WeakPolarHBondContact OG-CB 3.47Å; S833-S836 PolarHBondContact OG-OG 3.5Å; I834-S836 PolarHBondContact O-N 3.25Å; S836-D838 PolarHBondContact O-N 3.44Å |
| 837 | F | 68.9 | Low | 73.7 | Confident | 18 Ų | 18 | 35.8 Ų | 35.8 | 8% | 0.079 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -74.5 | 130.3 | 177.3 | -76.2 | -85.9 | 0 | 0 | 0 | 110.8 | N830 I834 N835 L858 V862 | N830-F837 WeakPolarHBondContact O-CE2 3.48Å; I834-F837 WeakPolarHBondContact O-CD2 3.35Å; I834-F837 PolarHBondContact O-N 2.91Å; I834-F837 VanDerWaalsContact O-N 3.1Å; N835-F837 VanDerWaalsContact C-N 3.34Å; F837-L858 HydrophobicContact CB-CD1 3.38Å; F837-L858 HydrophobicContact CB-CD2 3.85Å; F837-L858 HydrophobicContact CB-CG 4.19Å; F837-L858 HydrophobicContact CD1-CD1 4.47Å; F837-L858 HydrophobicContact CD1-CD2 3.63Å; F837-L858 HydrophobicContact CD1-CG 4.47Å; F837-L858 HydrophobicContact CD2-CD1 4.34Å; F837-L858 HydrophobicContact CE1-CD2 4.4Å; F837-L858 HydrophobicContact CG-CD1 3.84Å; F837-L858 HydrophobicContact CG-CD2 3.87Å; F837-L858 HydrophobicContact CG-CG 4.29Å; F837-V862 HydrophobicContact CE1-CG2 4.25Å; F837-V862 HydrophobicContact CZ-CG2 3.76Å |
| 838 | D | 72.6 | Confident | 73.5 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.064 | 23% | 0.225 | C | C | . | . | trans | -67.1 | 122.3 | 176.3 | -172.2 | -24.9 | 0 | 0 | 0 | 110.5 | S836 R840 S841 | S836-D838 PolarHBondContact O-N 3.44Å; D838-R840 PolarHBondContact O-N 2.94Å; D838-R840 WeakPolarHBondContact OD1-CB 3.29Å; D838-R840 WeakPolarHBondContact OD1-CG 3.19Å; D838-R840 IonicContact OD1-CZ 3.78Å; D838-R840 PolarHBondContact OD1-N 2.74Å; D838-R840 IonicContact OD1-NE 3.25Å; D838-R840 PolarHBondContact OD1-NE 2.9Å; D838-R840 IonicContact OD1-NH2 3.22Å; D838-R840 IonicContact OD2-CZ 2.58Å; D838-R840 IonicContact OD2-NE 2.92Å; D838-R840 PolarHBondContact OD2-NE 3.5Å; D838-R840 IonicContact OD2-NH2 2.91Å; D838-R840 PolarHBondContact OD2-NH2 3.33Å; D838-S841 VanDerWaalsContact O-CB 3.26Å; D838-S841 WeakPolarHBondContact O-CB 3.28Å; D838-S841 PolarHBondContact O-N 2.9Å; D838-S841 PolarHBondContact O-OG 3.31Å | ||
| 839 | P | 76.7 | Confident | 73.1 | Confident | 53 Ų | 53 | 47.8 Ų | 47.8 | 34% | 0.344 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -54.9 | -26.8 | 178.3 | 23.8 | -36.2 | 0 | 0 | 0 | 112.9 | S841 T842 L849 M854 | P839-S841 PolarHBondContact O-N 3.34Å; P839-T842 PolarHBondContact O-N 3.45Å; P839-T842 PolarHBondContact O-OG1 2.89Å; P839-L849 HydrophobicContact CB-CD2 4.09Å; P839-M854 VanDerWaalsContact CA-CE 3.46Å; P839-M854 HydrophobicContact CB-CE 3.22Å |
| 840 | R | 82.3 | Confident | 73.6 | Confident | 102 Ų | 102 | 51.1 Ų | 51.1 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -62.4 | -21.1 | 178 | -59.4 | 178 | -74.7 | -169.7 | -4 | 113.2 | M636 D838 T842 F843 | M636-R840 HydrophobicContact CE-CB 3.61Å; M636-R840 HydrophobicContact CE-CG 4.35Å; D838-R840 PolarHBondContact O-N 2.94Å; D838-R840 WeakPolarHBondContact OD1-CB 3.29Å; D838-R840 WeakPolarHBondContact OD1-CG 3.19Å; D838-R840 IonicContact OD1-CZ 3.78Å; D838-R840 PolarHBondContact OD1-N 2.74Å; D838-R840 IonicContact OD1-NE 3.25Å; D838-R840 PolarHBondContact OD1-NE 2.9Å; D838-R840 IonicContact OD1-NH2 3.22Å; D838-R840 IonicContact OD2-CZ 2.58Å; D838-R840 IonicContact OD2-NE 2.92Å; D838-R840 PolarHBondContact OD2-NE 3.5Å; D838-R840 IonicContact OD2-NH2 2.91Å; D838-R840 PolarHBondContact OD2-NH2 3.33Å; R840-T842 PolarHBondContact O-N 2.66Å; R840-F843 HydrophobicContact CB-CD2 4.05Å; R840-F843 HydrophobicContact CB-CE2 3.94Å; R840-F843 HydrophobicContact CB-CG 4.47Å; R840-F843 HydrophobicContact CB-CZ 4.24Å; R840-F843 HydrophobicContact CG-CD2 4.16Å; R840-F843 HydrophobicContact CG-CE1 4.43Å; R840-F843 HydrophobicContact CG-CE2 3.53Å; R840-F843 HydrophobicContact CG-CZ 3.69Å; R840-F843 WeakPolarHBondContact O-CB 3.36Å; R840-F843 PolarHBondContact O-N 3.23Å |
| 841 | S | 87.1 | Confident | 74.3 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -57.9 | -19.3 | 171.8 | -52.5 | 0 | 0 | 0 | 0 | 112.7 | M743 T745 D838 P839 | M743-S841 WeakPolarHBondContact CA-O 3.22Å; M743-S841 WeakPolarHBondContact CB-O 3.36Å; M743-S841 WeakPolarHBondContact O-CB 3.25Å; T745-S841 WeakPolarHBondContact CG2-OG 3.4Å; D838-S841 VanDerWaalsContact O-CB 3.26Å; D838-S841 WeakPolarHBondContact O-CB 3.28Å; D838-S841 PolarHBondContact O-N 2.9Å; D838-S841 PolarHBondContact O-OG 3.31Å; P839-S841 PolarHBondContact O-N 3.34Å |
| 842 | T | 89.1 | Confident | 75.8 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -101.8 | -2 | -176.4 | 65.9 | 0 | 0 | 0 | 0 | 113.7 | P839 R840 C844 F845 T846 M854 L857 L858 | P839-T842 PolarHBondContact O-N 3.45Å; P839-T842 PolarHBondContact O-OG1 2.89Å; R840-T842 PolarHBondContact O-N 2.66Å; T842-C844 VanDerWaalsContact C-N 3.31Å; T842-C844 PolarHBondContact O-N 3.24Å; T842-F845 WeakPolarHBondContact O-CA 3.38Å; T842-F845 WeakPolarHBondContact O-CB 3.32Å; T842-F845 PolarHBondContact O-N 2.98Å; T842-T846 CarbonylContact C-O 3.46Å; T842-T846 PolarHBondContact O-N 3.03Å; T842-M854 HydrophobicContact CG2-CB 4.03Å; T842-M854 HydrophobicContact CG2-CG 4Å; T842-L857 HydrophobicContact CG2-CB 4.18Å; T842-L857 HydrophobicContact CG2-CD1 4.08Å; T842-L858 HydrophobicContact CG2-CG 4.48Å |
| 843 | F | 89.9 | Confident | 77.4 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -31 | -168.6 | -77.8 | 1 | 0 | 0 | 0 | 115.4 | M688 H703 R840 F845 T846 T847 | M688-F843 WeakPolarHBondContact CE-O 3.44Å; H703-F843 PolarHBondContact NE2-O 3.19Å; R840-F843 HydrophobicContact CB-CD2 4.05Å; R840-F843 HydrophobicContact CB-CE2 3.94Å; R840-F843 HydrophobicContact CB-CG 4.47Å; R840-F843 HydrophobicContact CB-CZ 4.24Å; R840-F843 HydrophobicContact CG-CD2 4.16Å; R840-F843 HydrophobicContact CG-CE1 4.43Å; R840-F843 HydrophobicContact CG-CE2 3.53Å; R840-F843 HydrophobicContact CG-CZ 3.69Å; R840-F843 WeakPolarHBondContact O-CB 3.36Å; R840-F843 PolarHBondContact O-N 3.23Å; F843-F845 PolarHBondContact O-N 3.37Å; F843-T846 VanDerWaalsContact CA-O 3.3Å; F843-T846 WeakPolarHBondContact CA-O 3.26Å; F843-T847 HydrophobicContact CD1-CG2 4.42Å; F843-T847 HydrophobicContact CG-CG2 4.47Å |
| 844 | C | 92.1 | Very high | 78.9 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.034 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.9 | 172.5 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | I702 H703 S706 L742 T842 | I702-C844 HydrophobicContact CG2-CB 4.34Å; H703-C844 PolarHBondContact CD2-O 3.15Å; S706-C844 WeakPolarHBondContact CB-O 3.46Å; S706-C844 PolarHBondContact OG-O 3.5Å; L742-C844 HydrophobicContact CB-CB 4.34Å; L742-C844 HydrophobicContact CD2-CB 4.25Å; L742-C844 WeakPolarHBondContact O-CB 3.26Å; L742-C844 PolarHBondContact O-SG 2.9Å; T842-C844 VanDerWaalsContact C-N 3.31Å; T842-C844 PolarHBondContact O-N 3.24Å |
| 845 | F | 93.3 | Very high | 80.6 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -42.5 | -179.9 | -66.2 | -83.4 | 0 | 0 | 0 | 113.4 | S706 W707 I710 L742 M743 T842 F843 L857 | S706-F845 WeakPolarHBondContact O-CE1 3.27Å; W707-F845 AromaticContact CD2-CD1 4Å; W707-F845 HydrophobicContact CD2-CD1 4Å; W707-F845 AromaticContact CE2-CD1 3.87Å; W707-F845 HydrophobicContact CE3-CD1 4.49Å; W707-F845 HydrophobicContact CG-CD1 4.26Å; W707-F845 HydrophobicContact CZ2-CB 4.33Å; W707-F845 HydrophobicContact CZ2-CD1 4.28Å; W707-F845 PolarHBondContact NE1-O 3.33Å; I710-F845 HydrophobicContact CD1-CD1 4.29Å; I710-F845 HydrophobicContact CD1-CE1 3.29Å; I710-F845 HydrophobicContact CD1-CZ 3.57Å; I710-F845 HydrophobicContact CG1-CE1 3.99Å; I710-F845 HydrophobicContact CG1-CZ 4.16Å; L742-F845 HydrophobicContact CB-CE2 3.91Å; L742-F845 HydrophobicContact CB-CZ 4.21Å; L742-F845 HydrophobicContact CD1-CZ 4.06Å; M743-F845 HydrophobicContact CG-CD2 4.11Å; M743-F845 HydrophobicContact CG-CE2 3.6Å; M743-F845 HydrophobicContact SD-CE2 4.17Å; T842-F845 WeakPolarHBondContact O-CA 3.38Å; T842-F845 WeakPolarHBondContact O-CB 3.32Å; T842-F845 PolarHBondContact O-N 2.98Å; F843-F845 PolarHBondContact O-N 3.37Å; F845-L857 HydrophobicContact CB-CD1 3.67Å; F845-L857 HydrophobicContact CB-CD2 4.47Å; F845-L857 HydrophobicContact CD1-CD2 4.29Å; F845-L857 HydrophobicContact CD2-CD1 4.35Å; F845-L857 HydrophobicContact CD2-CD2 4.31Å; F845-L857 HydrophobicContact CG-CD1 4.08Å; F845-L857 HydrophobicContact CG-CD2 4.08Å |
| 846 | T | 89.3 | Confident | 82.4 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | trans | -153.1 | 139.8 | 179.5 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | T842 F843 I848 L853 L857 | T842-T846 CarbonylContact C-O 3.46Å; T842-T846 PolarHBondContact O-N 3.03Å; F843-T846 VanDerWaalsContact CA-O 3.3Å; F843-T846 WeakPolarHBondContact CA-O 3.26Å; T846-I848 PolarHBondContact OG1-N 3.3Å; T846-I848 VanDerWaalsContact OG1-N 3.08Å; T846-I848 PolarHBondContact OG1-O 3.31Å; T846-L853 HydrophobicContact CG2-CD2 3.95Å; T846-L853 HydrophobicContact CG2-CG 4.49Å; T846-L857 HydrophobicContact CG2-CD1 4.43Å | ||
| 847 | T | 82.9 | Confident | 83.9 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | trans | -104.4 | -3.5 | 168 | 67.8 | 0 | 0 | 0 | 0 | 111.8 | K699 F843 | K699-T847 HydrophobicContact CD-CG2 4.05Å; K699-T847 WeakPolarHBondContact CE-OG1 3.38Å; K699-T847 PolarHBondContact NZ-OG1 3.11Å; F843-T847 HydrophobicContact CD1-CG2 4.42Å; F843-T847 HydrophobicContact CG-CG2 4.47Å | ||
| 848 | I | 82.4 | Confident | 84.8 | Confident | 126 Ų | 126 | 47 Ų | 47 | 65% | 0.646 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -84.1 | 128.1 | 177.6 | -60.1 | 169.8 | 0 | 0 | 0 | 106.8 | T846 N850 | T846-I848 PolarHBondContact OG1-N 3.3Å; T846-I848 VanDerWaalsContact OG1-N 3.08Å; T846-I848 PolarHBondContact OG1-O 3.31Å; I848-N850 PolarHBondContact O-N 2.86Å |
| 849 | L | 72.6 | Confident | 85.6 | Confident | 131 Ų | 131 | 50.7 Ų | 50.7 | 69% | 0.686 | 28% | 0.282 | S | S | * | . | trans | -69.4 | 92.5 | 176.9 | -67.4 | 169.8 | 0 | 0 | 0 | 109.2 | P839 M854 | P839-L849 HydrophobicContact CB-CD2 4.09Å; L849-M854 HydrophobicContact CD2-CE 4.06Å; L849-M854 HydrophobicContact CD2-SD 4.19Å | ||
| 850 | N | 80.9 | Confident | 86.3 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 40% | 0.401 | 28% | 0.282 | S | S | . | . | trans | -118.4 | 98.7 | 169.7 | -178.3 | -26.9 | 0 | 0 | 0 | 108 | I848 A852 L853 M854 | I848-N850 PolarHBondContact O-N 2.86Å; N850-A852 PolarHBondContact O-N 2.88Å; N850-A852 PolarHBondContact OD1-N 3.1Å; N850-L853 HydrophobicContact CB-CB 4.14Å; N850-L853 PolarHBondContact O-N 3.32Å; N850-L853 PolarHBondContact OD1-N 3.08Å; N850-M854 WeakPolarHBondContact O-CB 3.2Å; N850-M854 WeakPolarHBondContact O-CG 3.3Å; N850-M854 PolarHBondContact O-N 3.07Å | ||
| 851 | P | 79.2 | Confident | 86.7 | Confident | 104 Ų | 104 | 46.4 Ų | 46.4 | 68% | 0.675 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -54 | -38 | -174.4 | -28.8 | 35.4 | 0 | 0 | 0 | 114 | A855 | P851-A855 VanDerWaalsContact O-CB 3.27Å; P851-A855 WeakPolarHBondContact O-CB 3.49Å; P851-A855 PolarHBondContact O-N 3.03Å |
| 852 | A | 84.8 | Confident | 86.8 | Confident | 63 Ų | 63 | 46.3 Ų | 46.3 | 52% | 0.521 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68 | -48.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | N850 M854 A855 I856 | N850-A852 PolarHBondContact O-N 2.88Å; N850-A852 PolarHBondContact OD1-N 3.1Å; A852-M854 VanDerWaalsContact C-N 3.32Å; A852-M854 PolarHBondContact O-N 2.97Å; A852-A855 PolarHBondContact O-N 3.25Å; A852-I856 WeakPolarHBondContact O-CG1 3.43Å; A852-I856 PolarHBondContact O-N 2.98Å; A852-I856 VanDerWaalsContact O-N 3.13Å |
| 853 | L | 86.8 | Confident | 86.9 | Confident | 51 Ų | 51 | 49.1 Ų | 49.1 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 177.2 | 177.4 | 61 | 0 | 0 | 0 | 111.2 | W707 T846 N850 I856 L857 | W707-L853 HydrophobicContact CH2-CD1 4.14Å; W707-L853 HydrophobicContact CZ2-CD1 4.33Å; T846-L853 HydrophobicContact CG2-CD2 3.95Å; T846-L853 HydrophobicContact CG2-CG 4.49Å; N850-L853 HydrophobicContact CB-CB 4.14Å; N850-L853 PolarHBondContact O-N 3.32Å; N850-L853 PolarHBondContact OD1-N 3.08Å; L853-I856 PolarHBondContact O-N 3.46Å; L853-L857 HydrophobicContact CG-CD1 4.34Å; L853-L857 WeakPolarHBondContact O-CG 3.38Å; L853-L857 PolarHBondContact O-N 3.35Å |
| 854 | M | 84.8 | Confident | 87.1 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 9% | 0.094 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 178.9 | -67.5 | 164.6 | 69.4 | 0 | 0 | 111.4 | P839 T842 L849 N850 A852 I856 L857 L858 | P839-M854 VanDerWaalsContact CA-CE 3.46Å; P839-M854 HydrophobicContact CB-CE 3.22Å; T842-M854 HydrophobicContact CG2-CB 4.03Å; T842-M854 HydrophobicContact CG2-CG 4Å; L849-M854 HydrophobicContact CD2-CE 4.06Å; L849-M854 HydrophobicContact CD2-SD 4.19Å; N850-M854 WeakPolarHBondContact O-CB 3.2Å; N850-M854 WeakPolarHBondContact O-CG 3.3Å; N850-M854 PolarHBondContact O-N 3.07Å; A852-M854 VanDerWaalsContact C-N 3.32Å; A852-M854 PolarHBondContact O-N 2.97Å; M854-I856 VanDerWaalsContact C-N 3.34Å; M854-I856 PolarHBondContact O-N 2.89Å; M854-L857 PolarHBondContact O-N 3.25Å; M854-L858 WeakPolarHBondContact O-CB 3.15Å; M854-L858 WeakPolarHBondContact O-CG 3.19Å; M854-L858 PolarHBondContact O-N 3.44Å |
| 855 | A | 85.1 | Confident | 87.2 | Confident | 36 Ų | 36 | 47.5 Ų | 47.5 | 30% | 0.298 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P851 A852 L858 L859 | P851-A855 VanDerWaalsContact O-CB 3.27Å; P851-A855 WeakPolarHBondContact O-CB 3.49Å; P851-A855 PolarHBondContact O-N 3.03Å; A852-A855 PolarHBondContact O-N 3.25Å; A855-L858 PolarHBondContact O-N 2.84Å; A855-L859 WeakPolarHBondContact O-CB 2.89Å; A855-L859 PolarHBondContact O-N 3.06Å |
| 856 | I | 90.4 | Very high | 87.2 | Confident | 101 Ų | 101 | 48.5 Ų | 48.5 | 52% | 0.518 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63 | -46 | 176.6 | -67 | 166 | 0 | 0 | 0 | 111 | A852 L853 M854 L858 L859 I860 | A852-I856 WeakPolarHBondContact O-CG1 3.43Å; A852-I856 PolarHBondContact O-N 2.98Å; A852-I856 VanDerWaalsContact O-N 3.13Å; L853-I856 PolarHBondContact O-N 3.46Å; M854-I856 VanDerWaalsContact C-N 3.34Å; M854-I856 PolarHBondContact O-N 2.89Å; I856-L858 PolarHBondContact O-N 3.45Å; I856-L859 WeakPolarHBondContact O-CB 3.4Å; I856-L859 PolarHBondContact O-N 3.4Å; I856-I860 HydrophobicContact CG2-CD1 4.14Å; I856-I860 WeakPolarHBondContact O-CG1 3.47Å; I856-I860 PolarHBondContact O-N 2.78Å |
| 857 | L | 90.6 | Very high | 87.5 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 177.8 | -70.4 | 172.1 | 0 | 0 | 0 | 111.6 | W707 M743 T842 F845 T846 L853 M854 L859 I860 K861 | W707-L857 HydrophobicContact CH2-CD2 4.44Å; M743-L857 HydrophobicContact SD-CB 4.08Å; M743-L857 HydrophobicContact SD-CD2 4.49Å; T842-L857 HydrophobicContact CG2-CB 4.18Å; T842-L857 HydrophobicContact CG2-CD1 4.08Å; F845-L857 HydrophobicContact CB-CD1 3.67Å; F845-L857 HydrophobicContact CB-CD2 4.47Å; F845-L857 HydrophobicContact CD1-CD2 4.29Å; F845-L857 HydrophobicContact CD2-CD1 4.35Å; F845-L857 HydrophobicContact CD2-CD2 4.31Å; F845-L857 HydrophobicContact CG-CD1 4.08Å; F845-L857 HydrophobicContact CG-CD2 4.08Å; T846-L857 HydrophobicContact CG2-CD1 4.43Å; L853-L857 HydrophobicContact CG-CD1 4.34Å; L853-L857 WeakPolarHBondContact O-CG 3.38Å; L853-L857 PolarHBondContact O-N 3.35Å; M854-L857 PolarHBondContact O-N 3.25Å; L857-L859 VanDerWaalsContact C-N 3.32Å; L857-L859 PolarHBondContact O-N 3.23Å; L857-I860 WeakPolarHBondContact O-CB 3.43Å; L857-I860 PolarHBondContact O-N 3.17Å; L857-K861 PolarHBondContact O-N 3.43Å |
| 858 | L | 87.9 | Confident | 88.1 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 176.6 | -68.8 | 169.9 | 0 | 0 | 0 | 112.2 | F837 T842 M854 A855 I856 K861 V862 | F837-L858 HydrophobicContact CB-CD1 3.38Å; F837-L858 HydrophobicContact CB-CD2 3.85Å; F837-L858 HydrophobicContact CB-CG 4.19Å; F837-L858 HydrophobicContact CD1-CD1 4.47Å; F837-L858 HydrophobicContact CD1-CD2 3.63Å; F837-L858 HydrophobicContact CD1-CG 4.47Å; F837-L858 HydrophobicContact CD2-CD1 4.34Å; F837-L858 HydrophobicContact CE1-CD2 4.4Å; F837-L858 HydrophobicContact CG-CD1 3.84Å; F837-L858 HydrophobicContact CG-CD2 3.87Å; F837-L858 HydrophobicContact CG-CG 4.29Å; T842-L858 HydrophobicContact CG2-CG 4.48Å; M854-L858 WeakPolarHBondContact O-CB 3.15Å; M854-L858 WeakPolarHBondContact O-CG 3.19Å; M854-L858 PolarHBondContact O-N 3.44Å; A855-L858 PolarHBondContact O-N 2.84Å; I856-L858 PolarHBondContact O-N 3.45Å; L858-K861 HydrophobicContact CD2-CD 4.27Å; L858-K861 WeakPolarHBondContact O-CB 3.41Å; L858-K861 PolarHBondContact O-N 2.79Å; L858-V862 WeakPolarHBondContact O-CG2 3.4Å; L858-V862 PolarHBondContact O-N 3.39Å |
| 859 | L | 88.6 | Confident | 88.8 | Confident | 91 Ų | 91 | 41.5 Ų | 41.5 | 48% | 0.476 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 172.4 | -175.6 | 64 | 0 | 0 | 0 | 111 | I831 A855 I856 L857 K861 V862 M863 | I831-L859 HydrophobicContact CD1-CD1 4.13Å; A855-L859 WeakPolarHBondContact O-CB 2.89Å; A855-L859 PolarHBondContact O-N 3.06Å; I856-L859 WeakPolarHBondContact O-CB 3.4Å; I856-L859 PolarHBondContact O-N 3.4Å; L857-L859 VanDerWaalsContact C-N 3.32Å; L857-L859 PolarHBondContact O-N 3.23Å; L859-K861 VanDerWaalsContact C-N 3.31Å; L859-K861 PolarHBondContact O-N 3.23Å; L859-V862 PolarHBondContact O-N 2.62Å; L859-M863 HydrophobicContact CD1-CG 4.49Å; L859-M863 HydrophobicContact CD1-SD 4.41Å; L859-M863 HydrophobicContact CG-SD 4.05Å; L859-M863 WeakPolarHBondContact O-CB 3.47Å; L859-M863 VanDerWaalsContact O-CG 3.25Å; L859-M863 WeakPolarHBondContact O-CG 3.34Å; L859-M863 PolarHBondContact O-N 3.01Å |
| 860 | I | 91.5 | Very high | 89.8 | Confident | 65 Ų | 65 | 35.3 Ų | 35.3 | 33% | 0.333 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 174.6 | -66.2 | 166.7 | 0 | 0 | 0 | 110.5 | M743 I856 L857 V862 M863 C864 | M743-I860 HydrophobicContact CE-CB 4.49Å; M743-I860 HydrophobicContact CE-CG2 4.09Å; I856-I860 HydrophobicContact CG2-CD1 4.14Å; I856-I860 WeakPolarHBondContact O-CG1 3.47Å; I856-I860 PolarHBondContact O-N 2.78Å; L857-I860 WeakPolarHBondContact O-CB 3.43Å; L857-I860 PolarHBondContact O-N 3.17Å; I860-V862 PolarHBondContact O-N 2.84Å; I860-M863 PolarHBondContact O-N 3.31Å; I860-C864 PolarHBondContact O-N 3.48Å; I860-C864 PolarHBondContact O-SG 3.01Å |
| 861 | K | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.6 | -49.4 | 177 | 179 | -173.6 | 175.1 | 168.1 | 0 | 111.6 | L740 M743 E748 L857 L858 L859 M863 C864 | L740-K861 HydrophobicContact CD1-CG 3.87Å; M743-K861 HydrophobicContact CB-CB 4.25Å; M743-K861 HydrophobicContact CB-CD 3.95Å; M743-K861 HydrophobicContact CB-CG 4.1Å; M743-K861 HydrophobicContact CE-CB 3.71Å; M743-K861 HydrophobicContact CE-CG 4.48Å; M743-K861 VanDerWaalsContact O-CE 3.31Å; M743-K861 WeakPolarHBondContact O-CE 3.49Å; M743-K861 PolarHBondContact O-NZ 2.92Å; M743-K861 HydrophobicContact SD-CB 3.98Å; E748-K861 WeakPolarHBondContact OE1-CE 3.41Å; E748-K861 IonicContact OE1-NZ 3.02Å; E748-K861 PolarHBondContact OE1-NZ 3.22Å; L857-K861 PolarHBondContact O-N 3.43Å; L858-K861 HydrophobicContact CD2-CD 4.27Å; L858-K861 WeakPolarHBondContact O-CB 3.41Å; L858-K861 PolarHBondContact O-N 2.79Å; L859-K861 VanDerWaalsContact C-N 3.31Å; L859-K861 PolarHBondContact O-N 3.23Å; K861-M863 VanDerWaalsContact C-N 3.35Å; K861-C864 PolarHBondContact O-N 3.26Å |
| 862 | V | 89.4 | Confident | 91.1 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.8 | -34.3 | 179.9 | 177 | 0 | 0 | 0 | 0 | 111.8 | F825 I831 F837 L858 L859 I860 C864 P865 | F825-V862 HydrophobicContact CD2-CG1 3.9Å; F825-V862 HydrophobicContact CE2-CG1 4.24Å; I831-V862 HydrophobicContact CD1-CB 4.38Å; I831-V862 HydrophobicContact CD1-CG1 3.92Å; I831-V862 HydrophobicContact CG1-CG1 4.1Å; I831-V862 HydrophobicContact CG1-CG2 4.28Å; F837-V862 HydrophobicContact CE1-CG2 4.25Å; F837-V862 HydrophobicContact CZ-CG2 3.76Å; L858-V862 WeakPolarHBondContact O-CG2 3.4Å; L858-V862 PolarHBondContact O-N 3.39Å; L859-V862 PolarHBondContact O-N 2.62Å; I860-V862 PolarHBondContact O-N 2.84Å; V862-C864 PolarHBondContact O-N 3.47Å; V862-P865 WeakPolarHBondContact O-CD 3.32Å; V862-P865 WeakPolarHBondContact O-CG 3.38Å |
| 863 | M | 91.2 | Very high | 91.4 | Very high | 62 Ų | 62 | 23.9 Ų | 23.9 | 31% | 0.305 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -72.3 | -23.9 | 178.6 | -70.9 | -179.2 | 75 | 0 | 0 | 113.8 | L859 I860 K861 M866 L867 F953 | L859-M863 HydrophobicContact CD1-CG 4.49Å; L859-M863 HydrophobicContact CD1-SD 4.41Å; L859-M863 HydrophobicContact CG-SD 4.05Å; L859-M863 WeakPolarHBondContact O-CB 3.47Å; L859-M863 VanDerWaalsContact O-CG 3.25Å; L859-M863 WeakPolarHBondContact O-CG 3.34Å; L859-M863 PolarHBondContact O-N 3.01Å; I860-M863 PolarHBondContact O-N 3.31Å; K861-M863 VanDerWaalsContact C-N 3.35Å; M863-M866 PolarHBondContact O-N 2.71Å; M863-M866 VanDerWaalsContact O-N 3.14Å; M863-L867 HydrophobicContact CB-CD1 4.04Å; M863-L867 HydrophobicContact CB-CG 4.37Å; M863-L867 HydrophobicContact CE-CD1 4.42Å; M863-L867 WeakPolarHBondContact O-CB 3.32Å; M863-L867 WeakPolarHBondContact O-CG 3.49Å; M863-L867 PolarHBondContact O-N 3.22Å; M863-F953 HydrophobicContact CE-CE1 4.01Å; M863-F953 HydrophobicContact CE-CZ 4.32Å |
| 864 | C | 94 | Very high | 91.5 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 3% | 0.027 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -52.4 | -55.6 | -177.6 | -74.1 | 0 | 0 | 0 | 0 | 114.5 | L740 I860 K861 V862 M866 L867 F868 | L740-C864 HydrophobicContact CB-CB 4.11Å; I860-C864 PolarHBondContact O-N 3.48Å; I860-C864 PolarHBondContact O-SG 3.01Å; K861-C864 PolarHBondContact O-N 3.26Å; V862-C864 PolarHBondContact O-N 3.47Å; C864-M866 VanDerWaalsContact C-N 3.28Å; C864-M866 PolarHBondContact O-N 3.45Å; C864-L867 PolarHBondContact O-N 3.27Å; C864-F868 WeakPolarHBondContact O-CB 3.48Å; C864-F868 PolarHBondContact O-N 3.1Å |
| 865 | P | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.2 | -35.1 | 176.3 | 24.7 | -36.1 | 0 | 0 | 0 | 113.2 | F752 F755 G824 T828 V862 L869 | F752-P865 HydrophobicContact CD2-CB 4.15Å; F752-P865 HydrophobicContact CE2-CB 4.39Å; F755-P865 HydrophobicContact CD1-CB 4.48Å; F755-P865 HydrophobicContact CE1-CB 4.23Å; G824-P865 WeakPolarHBondContact O-CG 3.42Å; T828-P865 HydrophobicContact CG2-CG 3.72Å; V862-P865 WeakPolarHBondContact O-CD 3.32Å; V862-P865 WeakPolarHBondContact O-CG 3.38Å; P865-L869 WeakPolarHBondContact O-CB 3.46Å; P865-L869 PolarHBondContact O-N 3.36Å |
| 866 | M | 93.3 | Very high | 91.8 | Very high | 25 Ų | 25 | 19 Ų | 19 | 12% | 0.123 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -72.7 | -40.3 | -178 | -54.9 | 172 | 85.1 | 0 | 0 | 111.9 | L821 M863 C864 L869 G870 F953 | L821-M866 HydrophobicContact CD1-CB 3.86Å; L821-M866 HydrophobicContact CD1-CE 3.56Å; L821-M866 HydrophobicContact CD1-CG 4Å; L821-M866 HydrophobicContact CD2-CE 4.4Å; L821-M866 HydrophobicContact CG-CE 3.82Å; M863-M866 PolarHBondContact O-N 2.71Å; M863-M866 VanDerWaalsContact O-N 3.14Å; C864-M866 VanDerWaalsContact C-N 3.28Å; C864-M866 PolarHBondContact O-N 3.45Å; M866-L869 WeakPolarHBondContact O-CB 3.44Å; M866-L869 PolarHBondContact O-N 3.1Å; M866-G870 PolarHBondContact O-N 2.59Å; M866-F953 HydrophobicContact CB-CD2 4.17Å; M866-F953 HydrophobicContact CB-CE2 3.52Å; M866-F953 HydrophobicContact CB-CZ 4.05Å; M866-F953 HydrophobicContact CE-CE2 4.12Å |
| 867 | L | 94.4 | Very high | 91.4 | Very high | 30 Ų | 30 | 14.2 Ų | 14.2 | 16% | 0.157 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -69.4 | -39.5 | 175.1 | -71.5 | 170.3 | 0 | 0 | 0 | 111.6 | Y736 M863 C864 G870 V871 F953 L956 | Y736-L867 HydrophobicContact CD1-CB 4.23Å; Y736-L867 HydrophobicContact CE1-CB 3.61Å; Y736-L867 HydrophobicContact CE1-CD1 3.73Å; Y736-L867 HydrophobicContact CE1-CG 4.32Å; Y736-L867 HydrophobicContact CE2-CB 3.94Å; Y736-L867 VanDerWaalsContact CZ-CB 3.44Å; Y736-L867 WeakPolarHBondContact OH-CB 3.27Å; M863-L867 HydrophobicContact CB-CD1 4.04Å; M863-L867 HydrophobicContact CB-CG 4.37Å; M863-L867 HydrophobicContact CE-CD1 4.42Å; M863-L867 WeakPolarHBondContact O-CB 3.32Å; M863-L867 WeakPolarHBondContact O-CG 3.49Å; M863-L867 PolarHBondContact O-N 3.22Å; C864-L867 PolarHBondContact O-N 3.27Å; L867-G870 WeakPolarHBondContact O-CA 3.42Å; L867-G870 PolarHBondContact O-N 3.19Å; L867-G870 VanDerWaalsContact O-N 3.16Å; L867-V871 PolarHBondContact O-N 3.04Å; L867-V871 VanDerWaalsContact O-N 3.08Å; L867-F953 HydrophobicContact CD2-CD1 3.44Å; L867-F953 VanDerWaalsContact CD2-CD1 3.44Å; L867-F953 HydrophobicContact CD2-CE1 3.53Å; L867-F953 HydrophobicContact CD2-CG 4.32Å; L867-F953 HydrophobicContact CD2-CZ 4.46Å; L867-F953 HydrophobicContact CG-CD1 4.4Å; L867-F953 HydrophobicContact CG-CE1 4.19Å; L867-L956 HydrophobicContact CD2-CD1 4.09Å |
| 868 | F | 96.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 0% | 0.004 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -56.9 | -49.7 | 169.5 | 160.1 | -104.5 | 0 | 0 | 0 | 111 | T733 Y736 F752 F755 A756 T759 Y760 C864 G870 V871 I872 | T733-F868 HydrophobicContact CG2-CD2 4.02Å; T733-F868 HydrophobicContact CG2-CE2 3.75Å; T733-F868 VanDerWaalsContact OG1-CE2 3.29Å; T733-F868 WeakPolarHBondContact OG1-CE2 3.32Å; Y736-F868 HydrophobicContact CD2-CB 3.83Å; Y736-F868 HydrophobicContact CG-CB 4.33Å; F752-F868 HydrophobicContact CE2-CB 4Å; F752-F868 HydrophobicContact CE2-CD1 4.02Å; F752-F868 HydrophobicContact CE2-CG 4.05Å; F752-F868 HydrophobicContact CZ-CB 4.07Å; F752-F868 HydrophobicContact CZ-CD1 4.06Å; F752-F868 HydrophobicContact CZ-CD2 4.26Å; F752-F868 AromaticContact CZ-CG 3.84Å; F752-F868 HydrophobicContact CZ-CG 3.84Å; F755-F868 HydrophobicContact CD1-CD1 4.03Å; F755-F868 AromaticContact CD1-CE1 3.96Å; F755-F868 HydrophobicContact CD1-CE1 3.96Å; F755-F868 AromaticContact CE1-CD1 3.84Å; F755-F868 HydrophobicContact CE1-CD1 3.84Å; F755-F868 HydrophobicContact CE1-CE1 4.01Å; A756-F868 HydrophobicContact CB-CE1 4.05Å; A756-F868 HydrophobicContact CB-CZ 3.79Å; T759-F868 HydrophobicContact CG2-CE1 4.17Å; T759-F868 HydrophobicContact CG2-CZ 4.4Å; Y760-F868 HydrophobicContact CD2-CZ 4.34Å; Y760-F868 AromaticContact CE2-CE2 3.98Å; Y760-F868 HydrophobicContact CE2-CE2 3.98Å; Y760-F868 HydrophobicContact CE2-CZ 4.05Å; C864-F868 WeakPolarHBondContact O-CB 3.48Å; C864-F868 PolarHBondContact O-N 3.1Å; F868-G870 PolarHBondContact O-N 2.9Å; F868-V871 WeakPolarHBondContact O-CB 3.35Å; F868-V871 PolarHBondContact O-N 2.95Å; F868-V871 VanDerWaalsContact O-N 3.11Å; F868-I872 HydrophobicContact CD2-CG1 4.28Å; F868-I872 HydrophobicContact CE1-CG1 4.35Å; F868-I872 HydrophobicContact CE2-CD1 3.76Å; F868-I872 HydrophobicContact CE2-CG1 3.71Å; F868-I872 HydrophobicContact CZ-CD1 4.1Å; F868-I872 HydrophobicContact CZ-CG1 3.75Å; F868-I872 PolarHBondContact O-N 2.78Å |
| 869 | L | 96.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -56.9 | -39.2 | 175 | 179 | 66.1 | 0 | 0 | 0 | 111.5 | F755 T759 W762 F817 L820 L821 P865 M866 V871 I872 Y873 | F755-L869 HydrophobicContact CE1-CB 4.37Å; F755-L869 HydrophobicContact CZ-CB 4.28Å; F755-L869 HydrophobicContact CZ-CD1 4.4Å; F755-L869 HydrophobicContact CZ-CD2 4.37Å; T759-L869 HydrophobicContact CG2-CD1 3.59Å; W762-L869 HydrophobicContact CZ3-CD1 3.91Å; F817-L869 HydrophobicContact CD2-CD2 3.93Å; F817-L869 HydrophobicContact CD2-CG 3.97Å; F817-L869 HydrophobicContact CE2-CD2 3.89Å; F817-L869 HydrophobicContact CE2-CG 3.91Å; L820-L869 HydrophobicContact CB-CD1 3.76Å; L820-L869 HydrophobicContact CB-CD2 3.68Å; L820-L869 HydrophobicContact CB-CG 4.39Å; L820-L869 HydrophobicContact CD1-CD1 3.82Å; L820-L869 HydrophobicContact CG-CD1 4.45Å; L821-L869 HydrophobicContact CB-CD2 3.95Å; L821-L869 HydrophobicContact CD1-CD2 4.21Å; L821-L869 VanDerWaalsContact N-CD2 3.32Å; P865-L869 WeakPolarHBondContact O-CB 3.46Å; P865-L869 PolarHBondContact O-N 3.36Å; M866-L869 WeakPolarHBondContact O-CB 3.44Å; M866-L869 PolarHBondContact O-N 3.1Å; L869-V871 PolarHBondContact O-N 2.9Å; L869-I872 PolarHBondContact O-N 2.88Å; L869-Y873 VanDerWaalsContact O-CB 3.29Å; L869-Y873 WeakPolarHBondContact O-CB 3.42Å; L869-Y873 PolarHBondContact O-N 2.82Å |
| 870 | G | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -56.6 | -44.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M866 L867 F868 Y873 A874 | M866-G870 PolarHBondContact O-N 2.59Å; L867-G870 WeakPolarHBondContact O-CA 3.42Å; L867-G870 PolarHBondContact O-N 3.19Å; L867-G870 VanDerWaalsContact O-N 3.16Å; F868-G870 PolarHBondContact O-N 2.9Å; G870-Y873 PolarHBondContact O-N 2.79Å; G870-A874 WeakPolarHBondContact O-CB 3.33Å; G870-A874 PolarHBondContact O-N 3.02Å |
| 871 | V | 93.7 | Very high | 87.1 | Confident | 2 Ų | 2 | 9.5 Ų | 9.5 | 1% | 0.012 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 175.4 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | W732 Y736 L867 F868 L869 A874 A875 M960 L961 | W732-V871 HydrophobicContact CB-CG1 4.39Å; W732-V871 HydrophobicContact CB-CG2 4.37Å; Y736-V871 HydrophobicContact CE2-CG2 4.11Å; L867-V871 PolarHBondContact O-N 3.04Å; L867-V871 VanDerWaalsContact O-N 3.08Å; F868-V871 WeakPolarHBondContact O-CB 3.35Å; F868-V871 PolarHBondContact O-N 2.95Å; F868-V871 VanDerWaalsContact O-N 3.11Å; L869-V871 PolarHBondContact O-N 2.9Å; V871-A874 PolarHBondContact O-N 3.36Å; V871-A875 PolarHBondContact O-N 2.93Å; V871-M960 HydrophobicContact CG2-CB 4.45Å; V871-M960 HydrophobicContact CG2-CE 3.83Å; V871-M960 HydrophobicContact CG2-SD 3.81Å; V871-L961 HydrophobicContact CG1-CD1 4.45Å; V871-L961 HydrophobicContact CG1-CD2 3.88Å; V871-L961 HydrophobicContact CG1-CG 4.07Å |
| 872 | I | 94.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.3 | -40.7 | 179.6 | -52.1 | -62.2 | 0 | 0 | 0 | 111 | M729 T759 Y760 F763 F868 L869 A874 A875 I876 | M729-I872 HydrophobicContact CB-CD1 4.49Å; M729-I872 HydrophobicContact CE-CD1 3.24Å; M729-I872 HydrophobicContact CE-CG1 4.47Å; M729-I872 HydrophobicContact CE-CG2 4.18Å; M729-I872 HydrophobicContact CG-CD1 4.47Å; T759-I872 HydrophobicContact CG2-CB 3.67Å; T759-I872 HydrophobicContact CG2-CG1 3.71Å; T759-I872 HydrophobicContact CG2-CG2 3.67Å; Y760-I872 HydrophobicContact CE1-CD1 4.1Å; Y760-I872 HydrophobicContact CE2-CD1 4.49Å; F763-I872 HydrophobicContact CB-CG2 3.63Å; F763-I872 HydrophobicContact CG-CG2 4.34Å; F868-I872 HydrophobicContact CD2-CG1 4.28Å; F868-I872 HydrophobicContact CE1-CG1 4.35Å; F868-I872 HydrophobicContact CE2-CD1 3.76Å; F868-I872 HydrophobicContact CE2-CG1 3.71Å; F868-I872 HydrophobicContact CZ-CD1 4.1Å; F868-I872 HydrophobicContact CZ-CG1 3.75Å; F868-I872 PolarHBondContact O-N 2.78Å; L869-I872 PolarHBondContact O-N 2.88Å; I872-A874 PolarHBondContact O-N 3.43Å; I872-A875 WeakPolarHBondContact O-CB 3.26Å; I872-A875 PolarHBondContact O-N 3.36Å; I872-A875 VanDerWaalsContact O-N 3.16Å; I872-I876 HydrophobicContact CG2-CD1 4.39Å; I872-I876 WeakPolarHBondContact O-CG1 3.49Å; I872-I876 PolarHBondContact O-N 2.85Å |
| 873 | Y | 92 | Very high | 82.5 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 178 | -170 | -134.2 | 0 | 0 | 0 | 111.9 | W762 F817 L869 G870 A875 I876 Q877 Q905 T909 T954 | W762-Y873 AromaticContact CH2-CD2 3.56Å; W762-Y873 HydrophobicContact CH2-CD2 3.56Å; W762-Y873 HydrophobicContact CH2-CE2 4.01Å; W762-Y873 HydrophobicContact CZ2-CD2 4.25Å; W762-Y873 HydrophobicContact CZ2-CE2 4.42Å; W762-Y873 HydrophobicContact CZ3-CD2 4.36Å; F817-Y873 HydrophobicContact CB-CD1 4.48Å; F817-Y873 HydrophobicContact CB-CD2 4.08Å; F817-Y873 HydrophobicContact CB-CE1 4.15Å; F817-Y873 HydrophobicContact CB-CE2 3.74Å; F817-Y873 HydrophobicContact CB-CG 4.43Å; F817-Y873 HydrophobicContact CD1-CD1 4.44Å; F817-Y873 HydrophobicContact CD1-CE1 4.07Å; F817-Y873 AromaticContact CD2-CD1 3.41Å; F817-Y873 HydrophobicContact CD2-CD1 3.41Å; F817-Y873 VanDerWaalsContact CD2-CD1 3.41Å; F817-Y873 AromaticContact CD2-CD2 3.95Å; F817-Y873 HydrophobicContact CD2-CD2 3.95Å; F817-Y873 AromaticContact CD2-CE1 3.8Å; F817-Y873 HydrophobicContact CD2-CE1 3.8Å; F817-Y873 HydrophobicContact CD2-CE2 4.31Å; F817-Y873 AromaticContact CD2-CG 3.48Å; F817-Y873 HydrophobicContact CD2-CG 3.48Å; F817-Y873 VanDerWaalsContact CD2-CG 3.48Å; F817-Y873 HydrophobicContact CE1-CE1 4.47Å; F817-Y873 AromaticContact CE2-CD1 3.65Å; F817-Y873 HydrophobicContact CE2-CD1 3.65Å; F817-Y873 HydrophobicContact CE2-CE1 4.22Å; F817-Y873 AromaticContact CE2-CG 4Å; F817-Y873 HydrophobicContact CE2-CG 4Å; F817-Y873 AromaticContact CG-CD1 3.85Å; F817-Y873 HydrophobicContact CG-CD1 3.85Å; F817-Y873 HydrophobicContact CG-CD2 4.26Å; F817-Y873 AromaticContact CG-CE1 3.71Å; F817-Y873 HydrophobicContact CG-CE1 3.71Å; F817-Y873 HydrophobicContact CG-CE2 4.15Å; F817-Y873 HydrophobicContact CG-CG 4.1Å; F817-Y873 AromaticContact CG-CZ 3.86Å; F817-Y873 HydrophobicContact CZ-CD1 4.28Å; L869-Y873 VanDerWaalsContact O-CB 3.29Å; L869-Y873 WeakPolarHBondContact O-CB 3.42Å; L869-Y873 PolarHBondContact O-N 2.82Å; G870-Y873 PolarHBondContact O-N 2.79Å; Y873-A875 VanDerWaalsContact C-N 3.33Å; Y873-A875 PolarHBondContact O-N 2.93Å; Y873-I876 PolarHBondContact O-N 3.35Å; Y873-Q877 VanDerWaalsContact CD1-NE2 3.35Å; Y873-Q877 VanDerWaalsContact CZ-NE2 3.3Å; Y873-Q877 WeakPolarHBondContact O-CG 3.01Å; Y873-Q877 PolarHBondContact O-N 3.46Å; Y873-Q905 VanDerWaalsContact CE2-OE1 3.3Å; Y873-Q905 WeakPolarHBondContact OH-CB 3.21Å; Y873-Q905 PolarHBondContact OH-OE1 2.78Å; Y873-T909 PolarHBondContact OH-OG1 3.2Å; Y873-T954 WeakPolarHBondContact CD1-OG1 3.47Å |
| 874 | A | 88.8 | Confident | 80 | Confident | 2 Ų | 2 | 17.3 Ų | 17.3 | 2% | 0.017 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.1 | -40.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G870 V871 I872 Q877 L878 R958 L961 | G870-A874 WeakPolarHBondContact O-CB 3.33Å; G870-A874 PolarHBondContact O-N 3.02Å; V871-A874 PolarHBondContact O-N 3.36Å; I872-A874 PolarHBondContact O-N 3.43Å; A874-Q877 WeakPolarHBondContact O-CB 3.31Å; A874-Q877 PolarHBondContact O-N 2.83Å; A874-L878 WeakPolarHBondContact O-CB 3.36Å; A874-L878 VanDerWaalsContact O-CG 3.27Å; A874-L878 WeakPolarHBondContact O-CG 3.48Å; A874-L878 PolarHBondContact O-N 2.87Å; A874-R958 HydrophobicContact CB-CB 4.42Å; A874-L961 HydrophobicContact CB-CD1 4.21Å |
| 875 | A | 88.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L725 M729 F763 V871 I872 Y873 Q877 L878 H879 L961 | L725-A875 HydrophobicContact CD1-CB 3.81Å; M729-A875 HydrophobicContact CE-CB 4.12Å; M729-A875 HydrophobicContact CG-CB 4.48Å; M729-A875 HydrophobicContact SD-CB 3.9Å; F763-A875 HydrophobicContact CD2-CB 3.96Å; F763-A875 HydrophobicContact CE2-CB 3.77Å; V871-A875 PolarHBondContact O-N 2.93Å; I872-A875 WeakPolarHBondContact O-CB 3.26Å; I872-A875 PolarHBondContact O-N 3.36Å; I872-A875 VanDerWaalsContact O-N 3.16Å; Y873-A875 VanDerWaalsContact C-N 3.33Å; Y873-A875 PolarHBondContact O-N 2.93Å; A875-Q877 VanDerWaalsContact C-N 3.31Å; A875-Q877 PolarHBondContact O-N 3.04Å; A875-L878 PolarHBondContact O-N 3.05Å; A875-H879 PolarHBondContact O-CD2 3.41Å; A875-H879 PolarHBondContact O-N 3.49Å; A875-L961 HydrophobicContact CB-CD1 3.95Å |
| 876 | I | 87.6 | Confident | 74.6 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 174.8 | -65.8 | 173.4 | 0 | 0 | 0 | 110.3 | W762 F763 E766 Q813 I872 Y873 H879 N880 | W762-I876 HydrophobicContact CD2-CD1 3.54Å; W762-I876 HydrophobicContact CE3-CD1 3.74Å; W762-I876 HydrophobicContact CG-CD1 4.13Å; W762-I876 HydrophobicContact CH2-CD1 3.98Å; W762-I876 HydrophobicContact CZ2-CD1 3.75Å; W762-I876 HydrophobicContact CZ3-CD1 3.95Å; F763-I876 HydrophobicContact CB-CD1 4.24Å; F763-I876 HydrophobicContact CB-CG1 4.08Å; F763-I876 HydrophobicContact CD2-CG1 3.79Å; F763-I876 HydrophobicContact CG-CG1 4.43Å; E766-I876 HydrophobicContact CB-CG2 4.11Å; E766-I876 HydrophobicContact CG-CG2 4.4Å; Q813-I876 HydrophobicContact CG-CG2 4.4Å; I872-I876 HydrophobicContact CG2-CD1 4.39Å; I872-I876 WeakPolarHBondContact O-CG1 3.49Å; I872-I876 PolarHBondContact O-N 2.85Å; Y873-I876 PolarHBondContact O-N 3.35Å; I876-H879 CarbonylContact O-C 3.55Å; I876-H879 PolarHBondContact O-N 3.24Å; I876-N880 WeakPolarHBondContact O-CB 3.48Å; I876-N880 PolarHBondContact O-N 3.35Å; I876-N880 VanDerWaalsContact O-N 3.11Å |
| 877 | Q | 81.8 | Confident | 71.9 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.9 | -43.3 | -180 | -77.6 | 171.7 | 10 | 0 | 0 | 113.9 | Y873 A874 A875 H879 N880 S901 I902 Q905 | Y873-Q877 VanDerWaalsContact CD1-NE2 3.35Å; Y873-Q877 VanDerWaalsContact CZ-NE2 3.3Å; Y873-Q877 WeakPolarHBondContact O-CG 3.01Å; Y873-Q877 PolarHBondContact O-N 3.46Å; A874-Q877 WeakPolarHBondContact O-CB 3.31Å; A874-Q877 PolarHBondContact O-N 2.83Å; A875-Q877 VanDerWaalsContact C-N 3.31Å; A875-Q877 PolarHBondContact O-N 3.04Å; Q877-H879 PolarHBondContact O-N 3.38Å; Q877-N880 PolarHBondContact O-N 2.95Å; Q877-S901 PolarHBondContact O-OG 3.38Å; Q877-I902 HydrophobicContact CB-CG1 3.97Å; Q877-I902 HydrophobicContact CG-CG1 4.42Å; Q877-Q905 VanDerWaalsContact CD-OE1 3.27Å |
| 878 | L | 76.9 | Confident | 69.1 | Low | 23 Ų | 23 | 30.7 Ų | 30.7 | 12% | 0.12 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.3 | -35.2 | 178.5 | -76.1 | 167.6 | 0 | 0 | 0 | 111.8 | I787 A874 A875 L961 | I787-L878 HydrophobicContact CD1-CD2 3.93Å; I787-L878 HydrophobicContact CG1-CD2 4.33Å; A874-L878 WeakPolarHBondContact O-CB 3.36Å; A874-L878 VanDerWaalsContact O-CG 3.27Å; A874-L878 WeakPolarHBondContact O-CG 3.48Å; A874-L878 PolarHBondContact O-N 2.87Å; A875-L878 PolarHBondContact O-N 3.05Å; L878-L961 HydrophobicContact CD1-CD1 3.86Å |
| 879 | H | 74.6 | Confident | 66.1 | Low | 26 Ų | 26 | 33 Ų | 33 | 12% | 0.12 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 24.4 | -177.1 | -59.8 | -64.7 | 0 | 0 | 0 | 113.6 | L725 T767 L770 G784 A875 I876 Q877 G881 | L725-H879 VanDerWaalsContact CD2-CD2 3.46Å; L725-H879 WeakPolarHBondContact CD2-CD2 3.45Å; T767-H879 HydrophobicContact CG2-CB 4.12Å; L770-H879 HydrophobicContact CD2-CB 4.22Å; L770-H879 WeakPolarHBondContact CD2-O 3.36Å; G784-H879 PolarHBondContact O-CE1 2.95Å; G784-H879 VanDerWaalsContact O-CE1 3.3Å; G784-H879 PolarHBondContact O-NE2 3.22Å; A875-H879 PolarHBondContact O-CD2 3.41Å; A875-H879 PolarHBondContact O-N 3.49Å; I876-H879 CarbonylContact O-C 3.55Å; I876-H879 PolarHBondContact O-N 3.24Å; Q877-H879 PolarHBondContact O-N 3.38Å; H879-G881 PolarHBondContact O-N 2.97Å; H879-G881 VanDerWaalsContact O-N 3.12Å |
| 880 | N | 66.7 | Low | 63.3 | Low | 14 Ų | 14 | 39 Ų | 39 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | trans | -85.9 | 74.9 | 174.4 | -156.4 | 12.7 | 0 | 0 | 0 | 110.9 | K809 Q813 I876 Q877 Q905 | K809-N880 WeakPolarHBondContact CE-OD1 3.37Å; K809-N880 PolarHBondContact NZ-OD1 3.02Å; Q813-N880 PolarHBondContact OE1-ND2 3.09Å; I876-N880 WeakPolarHBondContact O-CB 3.48Å; I876-N880 PolarHBondContact O-N 3.35Å; I876-N880 VanDerWaalsContact O-N 3.11Å; Q877-N880 PolarHBondContact O-N 2.95Å; N880-Q905 PolarHBondContact ND2-NE2 2.92Å; N880-Q905 VanDerWaalsContact ND2-NE2 3.15Å | ||
| 881 | G | 51 | Low | 60.6 | Low | 7 Ų | 7 | 44.8 Ų | 44.8 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | trans | -101 | 134.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H879 | H879-G881 PolarHBondContact O-N 2.97Å; H879-G881 VanDerWaalsContact O-N 3.12Å | ||
| 882 | N | 42.7 | Very low | 57.9 | Low | 63 Ų | 63 | 47 Ų | 47 | 34% | 0.337 | 27% | 0.271 | S | S | . | . | trans | -68.9 | 137.1 | 162 | -142.3 | 17.8 | 0 | 0 | 0 | 110.3 | E803 D884 R897 | E803-N882 WeakPolarHBondContact OE1-CB 3.5Å; N882-D884 PolarHBondContact O-N 3.23Å; N882-R897 VanDerWaalsContact CA-NH2 3.28Å; N882-R897 VanDerWaalsContact N-CZ 3.33Å; N882-R897 PolarHBondContact O-NH1 2.76Å; N882-R897 PolarHBondContact O-NH2 3.13Å | ||
| 883 | P | 40.3 | Very low | 55.4 | Low | 39 Ų | 39 | 50.8 Ų | 50.8 | 25% | 0.253 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -61.4 | -39.4 | -178.8 | -26.9 | 36.4 | 0 | 0 | 0 | 115.2 | T773 N885 Y886 | T773-P883 HydrophobicContact CG2-CB 3.55Å; T773-P883 HydrophobicContact CG2-CG 3.81Å; P883-N885 PolarHBondContact O-N 2.95Å; P883-Y886 PolarHBondContact O-N 3.04Å |
| 884 | D | 39.7 | Very low | 53 | Low | 126 Ų | 126 | 57.9 Ų | 57.9 | 67% | 0.674 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -71.8 | -6.9 | -157.3 | -60.9 | -32.6 | 0 | 0 | 0 | 114.7 | N882 | N882-D884 PolarHBondContact O-N 3.23Š|
| 885 | N | 35.1 | Very low | 50.8 | Low | 52 Ų | 52 | 58.2 Ų | 58.2 | 28% | 0.278 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -115.7 | 12 | -171.4 | -78.3 | -28.3 | 0 | 0 | 0 | 114.3 | Y801 P883 S887 | Y801-N885 HydrophobicContact CE1-CB 4.41Å; Y801-N885 WeakPolarHBondContact CE1-ND2 3.41Å; Y801-N885 WeakPolarHBondContact OH-CB 3.26Å; Y801-N885 PolarHBondContact OH-ND2 2.96Å; Y801-N885 PolarHBondContact OH-OD1 2.75Å; P883-N885 PolarHBondContact O-N 2.95Å; N885-S887 PolarHBondContact O-N 2.74Å |
| 886 | Y | 39.6 | Very low | 48.7 | Very low | 82 Ų | 82 | 61.7 Ų | 61.7 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | trans | -74.5 | -5.2 | 177.6 | -103.7 | -87.4 | 0 | 0 | 0 | 114.3 | L770 L774 P883 S888 | L770-Y886 HydrophobicContact CD1-CE2 3.9Å; L774-Y886 HydrophobicContact CD2-CD1 3.79Å; L774-Y886 HydrophobicContact CD2-CE1 3.37Å; L774-Y886 HydrophobicContact CD2-CE2 4.25Å; L774-Y886 HydrophobicContact CD2-CG 4.38Å; P883-Y886 PolarHBondContact O-N 3.04Å; Y886-S888 PolarHBondContact O-N 3.44Å; Y886-S888 VanDerWaalsContact O-N 3.14Å | ||
| 887 | S | 36.4 | Very low | 46.8 | Very low | 92 Ų | 92 | 64.2 Ų | 64.2 | 64% | 0.643 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -72.2 | 105.7 | 178.2 | 45.5 | 0 | 0 | 0 | 0 | 111.6 | N885 | N885-S887 PolarHBondContact O-N 2.74Š|
| 888 | S | 36 | Very low | 45.3 | Very low | 114 Ų | 114 | 64.4 Ų | 64.4 | 80% | 0.797 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 88.5 | 2.7 | 148.7 | 76.5 | 0 | 0 | 0 | 0 | 122.5 | Y886 | Y886-S888 PolarHBondContact O-N 3.44Å; Y886-S888 VanDerWaalsContact O-N 3.14Å |
| 889 | S | 32.9 | Very low | 44.4 | Very low | 49 Ų | 49 | 67.5 Ų | 67.5 | 34% | 0.343 | 36% | 0.355 | S | S | . | . | trans | -133.4 | 83.1 | 165 | 87.6 | 0 | 0 | 0 | 0 | 112.7 | N891 Q893 | S889-N891 PolarHBondContact O-N 2.65Å; S889-Q893 PolarHBondContact OG-NE2 2.77Å; S889-Q893 PolarHBondContact OG-OE1 3.21Å | ||
| 890 | I | 36.6 | Very low | 43.8 | Very low | 127 Ų | 127 | 68.3 Ų | 68.3 | 65% | 0.651 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -15 | -154 | -76.2 | 169.2 | 0 | 0 | 0 | 115.7 | ||
| 891 | N | 37.4 | Very low | 43.6 | Very low | 121 Ų | 121 | 67.7 Ų | 67.7 | 65% | 0.647 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.8 | -16 | -176.1 | -74.4 | -26.6 | 0 | 0 | 0 | 116 | S889 | S889-N891 PolarHBondContact O-N 2.65Š|
| 892 | S | 36.6 | Very low | 44.5 | Very low | 48 Ų | 48 | 68.4 Ų | 68.4 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -14.9 | -175.3 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | I795 | I795-S892 VanDerWaalsContact CD1-CB 3.48Š|
| 893 | Q | 42.1 | Very low | 45.9 | Very low | 79 Ų | 79 | 68.7 Ų | 68.7 | 37% | 0.369 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -106.6 | -11 | -165.9 | -68.5 | -174 | -21.1 | 0 | 0 | 115.7 | S889 S895 | S889-Q893 PolarHBondContact OG-NE2 2.77Å; S889-Q893 PolarHBondContact OG-OE1 3.21Å; Q893-S895 VanDerWaalsContact C-N 3.33Å; Q893-S895 PolarHBondContact O-N 3.41Å |
| 894 | R | 41.1 | Very low | 47.6 | Very low | 150 Ų | 150 | 66.8 Ų | 66.8 | 57% | 0.566 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62 | -34.4 | -176 | -101.5 | -179.1 | 175.7 | 173.9 | 0.4 | 113.7 | I787 G898 | I787-R894 HydrophobicContact CG2-CB 4.04Å; R894-G898 PolarHBondContact O-N 2.92Å |
| 895 | S | 44.5 | Very low | 49.4 | Very low | 9 Ų | 9 | 60.8 Ų | 60.8 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -81.3 | -42.8 | -166.6 | 80.4 | 0 | 0 | 0 | 0 | 115.2 | I787 H792 Q893 R897 | I787-S895 VanDerWaalsContact CG2-CA 3.45Å; H792-S895 VanDerWaalsContact CE1-CB 3.44Å; H792-S895 WeakPolarHBondContact CE1-CB 3.39Å; H792-S895 PolarHBondContact CE1-OG 2.84Å; H792-S895 PolarHBondContact ND1-OG 2.93Å; H792-S895 VanDerWaalsContact NE2-CB 3.33Å; H792-S895 WeakPolarHBondContact NE2-CB 3.31Å; Q893-S895 VanDerWaalsContact C-N 3.33Å; Q893-S895 PolarHBondContact O-N 3.41Å; S895-R897 VanDerWaalsContact C-N 3.26Å; S895-R897 PolarHBondContact O-N 3.01Å |
| 896 | K | 42.6 | Very low | 51.7 | Low | 73 Ų | 73 | 59 Ų | 59 | 32% | 0.317 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.7 | -36.6 | 172.5 | -75.6 | -177.2 | -176.4 | 172.3 | 0 | 111.3 | I795 H900 | I795-K896 PolarHBondContact O-NZ 2.93Å; K896-H900 WeakPolarHBondContact O-CB 3.15Å; K896-H900 PolarHBondContact O-CD2 3.04Å; K896-H900 PolarHBondContact O-N 3.27Å |
| 897 | R | 47.9 | Very low | 53.9 | Low | 54 Ų | 54 | 55.5 Ų | 55.5 | 20% | 0.204 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -46.5 | -175.3 | -158.3 | 179.7 | -160.4 | 176.1 | 9 | 112.6 | E803 N882 S895 H900 S901 | E803-R897 IonicContact OE1-CZ 2.82Å; E803-R897 IonicContact OE1-NE 3.24Å; E803-R897 IonicContact OE1-NH2 2.96Å; E803-R897 PolarHBondContact OE1-NH2 2.97Å; E803-R897 IonicContact OE2-NE 2.77Å; E803-R897 IonicContact OE2-NH2 2.73Å; N882-R897 VanDerWaalsContact CA-NH2 3.28Å; N882-R897 VanDerWaalsContact N-CZ 3.33Å; N882-R897 PolarHBondContact O-NH1 2.76Å; N882-R897 PolarHBondContact O-NH2 3.13Å; S895-R897 VanDerWaalsContact C-N 3.26Å; S895-R897 PolarHBondContact O-N 3.01Å; R897-H900 PolarHBondContact O-N 3.47Å; R897-S901 PolarHBondContact O-N 2.94Å; R897-S901 PolarHBondContact O-OG 3.41Å |
| 898 | G | 51.9 | Low | 56.4 | Low | 5 Ų | 5 | 51.4 Ų | 51.4 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.4 | -44.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | R894 H900 S901 I902 | R894-G898 PolarHBondContact O-N 2.92Å; G898-H900 PolarHBondContact O-N 2.77Å; G898-S901 PolarHBondContact O-N 3.03Å; G898-S901 PolarHBondContact O-OG 3.16Å; G898-I902 VanDerWaalsContact O-CD1 3.24Å; G898-I902 WeakPolarHBondContact O-CD1 3.36Å; G898-I902 WeakPolarHBondContact O-CG1 3.49Å; G898-I902 PolarHBondContact O-N 2.83Å; G898-I902 VanDerWaalsContact O-N 3.13Å |
| 899 | Y | 57.9 | Low | 59 | Low | 87 Ų | 87 | 46 Ų | 46 | 34% | 0.341 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.8 | -37.7 | 178.1 | -173.4 | -97.1 | 0 | 0 | 0 | 112.6 | L903 | Y899-L903 WeakPolarHBondContact O-CB 3.38Å; Y899-L903 PolarHBondContact O-N 3.41Å |
| 900 | H | 60.5 | Low | 61.7 | Low | 44 Ų | 44 | 44.5 Ų | 44.5 | 20% | 0.204 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.3 | -36.3 | 177.6 | -72.6 | -36.3 | 0 | 0 | 0 | 113.6 | R473 K896 R897 G898 A904 | R473-H900 PolarHBondContact NE-CE1 3.18Å; R473-H900 PolarHBondContact NE-NE2 3.01Å; R473-H900 PolarHBondContact NH2-CE1 3.38Å; K896-H900 WeakPolarHBondContact O-CB 3.15Å; K896-H900 PolarHBondContact O-CD2 3.04Å; K896-H900 PolarHBondContact O-N 3.27Å; R897-H900 PolarHBondContact O-N 3.47Å; G898-H900 PolarHBondContact O-N 2.77Å; H900-A904 VanDerWaalsContact O-CB 3.28Å; H900-A904 WeakPolarHBondContact O-CB 3.44Å; H900-A904 PolarHBondContact O-N 3.42Å; H900-A904 VanDerWaalsContact O-N 3.12Å |
| 901 | S | 63.5 | Low | 64.4 | Low | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.9 | -42.4 | 174.4 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | Q877 R897 G898 A904 Q905 | Q877-S901 PolarHBondContact O-OG 3.38Å; R897-S901 PolarHBondContact O-N 2.94Å; R897-S901 PolarHBondContact O-OG 3.41Å; G898-S901 PolarHBondContact O-N 3.03Å; G898-S901 PolarHBondContact O-OG 3.16Å; S901-A904 PolarHBondContact O-N 3.21Å; S901-Q905 WeakPolarHBondContact O-CB 3.44Å; S901-Q905 WeakPolarHBondContact O-CG 3.47Å; S901-Q905 PolarHBondContact O-N 3.13Å |
| 902 | I | 68.8 | Low | 67 | Low | 22 Ų | 22 | 33.9 Ų | 33.9 | 11% | 0.113 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.3 | -56.9 | 176.6 | -65.3 | 162.8 | 0 | 0 | 0 | 110.1 | Q877 G898 A904 Q905 T906 T954 | Q877-I902 HydrophobicContact CB-CG1 3.97Å; Q877-I902 HydrophobicContact CG-CG1 4.42Å; G898-I902 VanDerWaalsContact O-CD1 3.24Å; G898-I902 WeakPolarHBondContact O-CD1 3.36Å; G898-I902 WeakPolarHBondContact O-CG1 3.49Å; G898-I902 PolarHBondContact O-N 2.83Å; G898-I902 VanDerWaalsContact O-N 3.13Å; I902-A904 PolarHBondContact O-N 2.96Å; I902-Q905 PolarHBondContact O-N 3.29Å; I902-Q905 VanDerWaalsContact O-N 3.15Å; I902-T906 HydrophobicContact CG2-CG2 4.21Å; I902-T906 WeakPolarHBondContact O-CG2 3.41Å; I902-T906 PolarHBondContact O-N 3.24Å; I902-T906 PolarHBondContact O-OG1 2.73Å; I902-T954 HydrophobicContact CG2-CG2 3.89Å |
| 903 | L | 72.5 | Confident | 69.7 | Low | 68 Ų | 68 | 31.6 Ų | 31.6 | 36% | 0.356 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.1 | -39.6 | -177 | -176.7 | 65.3 | 0 | 0 | 0 | 111.9 | L470 Y899 T906 G907 | L470-L903 HydrophobicContact CD2-CG 4.25Å; Y899-L903 WeakPolarHBondContact O-CB 3.38Å; Y899-L903 PolarHBondContact O-N 3.41Å; L903-T906 WeakPolarHBondContact CA-OG1 3.5Å; L903-T906 PolarHBondContact O-OG1 2.97Å; L903-T906 VanDerWaalsContact O-OG1 3.13Å; L903-G907 PolarHBondContact O-N 3.3Å |
| 904 | A | 75.4 | Confident | 72.2 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.5 | -48.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L470 P805 R810 H900 S901 I902 G907 V908 | L470-A904 HydrophobicContact CD2-CB 4.25Å; P805-A904 HydrophobicContact CB-CB 4.01Å; P805-A904 WeakPolarHBondContact O-CB 3.33Å; R810-A904 VanDerWaalsContact NH1-CB 3.35Å; H900-A904 VanDerWaalsContact O-CB 3.28Å; H900-A904 WeakPolarHBondContact O-CB 3.44Å; H900-A904 PolarHBondContact O-N 3.42Å; H900-A904 VanDerWaalsContact O-N 3.12Å; S901-A904 PolarHBondContact O-N 3.21Å; I902-A904 PolarHBondContact O-N 2.96Å; A904-G907 PolarHBondContact O-N 3.29Å; A904-V908 VanDerWaalsContact O-CG2 3.3Å; A904-V908 WeakPolarHBondContact O-CG2 3.44Å; A904-V908 PolarHBondContact O-N 2.92Å |
| 905 | Q | 78.6 | Confident | 74.7 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.2 | -47 | 178.7 | -77.5 | -174.2 | 13.6 | 0 | 0 | 112.2 | R810 S814 Y873 Q877 N880 S901 I902 G907 V908 T909 | R810-Q905 HydrophobicContact CB-CG 4.31Å; R810-Q905 HydrophobicContact CG-CG 4.45Å; S814-Q905 PolarHBondContact OG-O 2.91Å; Y873-Q905 VanDerWaalsContact CE2-OE1 3.3Å; Y873-Q905 WeakPolarHBondContact OH-CB 3.21Å; Y873-Q905 PolarHBondContact OH-OE1 2.78Å; Q877-Q905 VanDerWaalsContact CD-OE1 3.27Å; N880-Q905 PolarHBondContact ND2-NE2 2.92Å; N880-Q905 VanDerWaalsContact ND2-NE2 3.15Å; S901-Q905 WeakPolarHBondContact O-CB 3.44Å; S901-Q905 WeakPolarHBondContact O-CG 3.47Å; S901-Q905 PolarHBondContact O-N 3.13Å; I902-Q905 PolarHBondContact O-N 3.29Å; I902-Q905 VanDerWaalsContact O-N 3.15Å; Q905-G907 PolarHBondContact O-N 3.23Å; Q905-V908 PolarHBondContact O-N 3.5Å; Q905-T909 WeakPolarHBondContact O-CB 3.35Å; Q905-T909 PolarHBondContact O-N 3.13Å; Q905-T909 PolarHBondContact O-OG1 3.04Å; Q905-T909 VanDerWaalsContact O-OG1 3.07Å |
| 906 | T | 82.1 | Confident | 77.1 | Confident | 14 Ų | 14 | 24 Ų | 24 | 9% | 0.086 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.3 | -35.7 | 175.8 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | I902 L903 A910 T954 | I902-T906 HydrophobicContact CG2-CG2 4.21Å; I902-T906 WeakPolarHBondContact O-CG2 3.41Å; I902-T906 PolarHBondContact O-N 3.24Å; I902-T906 PolarHBondContact O-OG1 2.73Å; L903-T906 WeakPolarHBondContact CA-OG1 3.5Å; L903-T906 PolarHBondContact O-OG1 2.97Å; L903-T906 VanDerWaalsContact O-OG1 3.13Å; T906-A910 WeakPolarHBondContact O-CB 3.48Å; T906-A910 PolarHBondContact O-N 2.87Å; T906-T954 HydrophobicContact CG2-CG2 4.4Å |
| 907 | G | 86 | Confident | 79.6 | Confident | 8 Ų | 8 | 20.6 Ų | 20.6 | 8% | 0.082 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.3 | -43.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L903 A904 Q905 A910 V911 | L903-G907 PolarHBondContact O-N 3.3Å; A904-G907 PolarHBondContact O-N 3.29Å; Q905-G907 PolarHBondContact O-N 3.23Å; G907-A910 WeakPolarHBondContact O-CB 3.45Å; G907-A910 PolarHBondContact O-N 3.29Å; G907-V911 WeakPolarHBondContact O-CG2 3.23Å; G907-V911 PolarHBondContact O-N 3.29Å |
| 908 | V | 89 | Confident | 81.8 | Confident | 7 Ų | 7 | 19.7 Ų | 19.7 | 4% | 0.042 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.1 | -40.6 | 175.5 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | L470 L806 F811 A904 Q905 A910 V911 L912 | L470-V908 HydrophobicContact CD1-CG2 4.33Å; L806-V908 HydrophobicContact CD2-CG2 3.3Å; F811-V908 HydrophobicContact CD2-CG1 3.98Å; A904-V908 VanDerWaalsContact O-CG2 3.3Å; A904-V908 WeakPolarHBondContact O-CG2 3.44Å; A904-V908 PolarHBondContact O-N 2.92Å; Q905-V908 PolarHBondContact O-N 3.5Å; V908-A910 VanDerWaalsContact C-N 3.28Å; V908-A910 PolarHBondContact O-N 3.33Å; V908-V911 PolarHBondContact O-N 3.27Å; V908-L912 HydrophobicContact CG1-CD1 4.2Å; V908-L912 HydrophobicContact CG1-CG 4.4Å; V908-L912 WeakPolarHBondContact O-CG 3.49Å; V908-L912 PolarHBondContact O-N 3.47Å |
| 909 | T | 90.2 | Very high | 83.8 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.7 | -43.2 | 171.8 | -62.3 | 0 | 0 | 0 | 0 | 111 | F817 I818 Y873 Q905 L912 S913 I946 | F817-T909 HydrophobicContact CD1-CG2 3.87Å; F817-T909 HydrophobicContact CE1-CG2 4.11Å; I818-T909 HydrophobicContact CD1-CG2 4.09Å; I818-T909 HydrophobicContact CG1-CG2 3.93Å; Y873-T909 PolarHBondContact OH-OG1 3.2Å; Q905-T909 WeakPolarHBondContact O-CB 3.35Å; Q905-T909 PolarHBondContact O-N 3.13Å; Q905-T909 PolarHBondContact O-OG1 3.04Å; Q905-T909 VanDerWaalsContact O-OG1 3.07Å; T909-L912 PolarHBondContact O-N 3.46Å; T909-S913 VanDerWaalsContact O-CB 3.23Å; T909-S913 WeakPolarHBondContact O-CB 3.22Å; T909-S913 PolarHBondContact O-N 2.92Å; T909-I946 HydrophobicContact CG2-CG2 4.49Å |
| 910 | A | 90.6 | Very high | 85.5 | Confident | 16 Ų | 16 | 18.4 Ų | 18.4 | 13% | 0.132 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I466 T906 G907 V908 S913 N914 | I466-A910 HydrophobicContact CD1-CB 4.15Å; T906-A910 WeakPolarHBondContact O-CB 3.48Å; T906-A910 PolarHBondContact O-N 2.87Å; G907-A910 WeakPolarHBondContact O-CB 3.45Å; G907-A910 PolarHBondContact O-N 3.29Å; V908-A910 VanDerWaalsContact C-N 3.28Å; V908-A910 PolarHBondContact O-N 3.33Å; A910-S913 PolarHBondContact O-N 3.42Å; A910-N914 PolarHBondContact O-N 3.17Å; A910-N914 PolarHBondContact O-ND2 3.42Å; A910-N914 PolarHBondContact O-OD1 2.93Å |
| 911 | V | 92.4 | Very high | 87.1 | Confident | 18 Ų | 18 | 16.3 Ų | 16.3 | 11% | 0.109 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | 175.8 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | I466 L467 G907 V908 N914 L915 | I466-V911 HydrophobicContact CB-CG2 4.14Å; I466-V911 HydrophobicContact CG2-CG2 4Å; L467-V911 HydrophobicContact CD1-CG1 4.39Å; L467-V911 HydrophobicContact CD2-CG2 4.16Å; L467-V911 HydrophobicContact CG-CG2 3.99Å; G907-V911 WeakPolarHBondContact O-CG2 3.23Å; G907-V911 PolarHBondContact O-N 3.29Å; V908-V911 PolarHBondContact O-N 3.27Å; V911-N914 WeakPolarHBondContact O-CB 3.34Å; V911-N914 PolarHBondContact O-N 3.47Å; V911-L915 PolarHBondContact O-N 2.96Å |
| 912 | L | 93.1 | Very high | 88.4 | Confident | 7 Ų | 7 | 20.4 Ų | 20.4 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.6 | -40.1 | 178.3 | -70.3 | 177 | 0 | 0 | 0 | 112.1 | L575 F811 L815 I818 V908 T909 N914 L915 I916 | L575-L912 HydrophobicContact CD1-CD2 3.94Å; F811-L912 HydrophobicContact CE2-CD1 4.32Å; F811-L912 HydrophobicContact CE2-CD2 3.92Å; F811-L912 HydrophobicContact CE2-CG 4.49Å; F811-L912 HydrophobicContact CZ-CD2 4.4Å; L815-L912 HydrophobicContact CB-CD1 4.2Å; L815-L912 HydrophobicContact CD1-CD1 4.46Å; I818-L912 HydrophobicContact CD1-CB 3.3Å; I818-L912 HydrophobicContact CD1-CD1 3.97Å; I818-L912 HydrophobicContact CD1-CG 4.29Å; V908-L912 HydrophobicContact CG1-CD1 4.2Å; V908-L912 HydrophobicContact CG1-CG 4.4Å; V908-L912 WeakPolarHBondContact O-CG 3.49Å; V908-L912 PolarHBondContact O-N 3.47Å; T909-L912 PolarHBondContact O-N 3.46Å; L912-N914 VanDerWaalsContact C-N 3.33Å; L912-N914 PolarHBondContact O-N 2.96Å; L912-L915 HydrophobicContact CD2-CD1 4.32Å; L912-L915 WeakPolarHBondContact O-CB 3.28Å; L912-L915 PolarHBondContact O-N 2.92Å; L912-I916 PolarHBondContact O-N 3.13Å |
| 913 | S | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.4 | -39.4 | 173.7 | 161.3 | 0 | 0 | 0 | 0 | 112 | T909 A910 L915 I916 A917 A943 S947 | T909-S913 VanDerWaalsContact O-CB 3.23Å; T909-S913 WeakPolarHBondContact O-CB 3.22Å; T909-S913 PolarHBondContact O-N 2.92Å; A910-S913 PolarHBondContact O-N 3.42Å; S913-L915 VanDerWaalsContact C-N 3.32Å; S913-L915 PolarHBondContact O-N 3.04Å; S913-I916 PolarHBondContact O-N 3.4Å; S913-A917 PolarHBondContact O-N 3Å; S913-A943 PolarHBondContact OG-O 2.87Å; S913-S947 PolarHBondContact OG-N 3.37Å |
| 914 | N | 94.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.2 | -36.2 | 174.7 | -70 | -20.8 | 0 | 0 | 0 | 112.3 | F459 S463 A910 V911 L912 A917 I918 | F459-N914 HydrophobicContact CD1-CB 3.89Å; S463-N914 WeakPolarHBondContact OG-CB 3.3Å; S463-N914 PolarHBondContact OG-ND2 3.32Å; A910-N914 PolarHBondContact O-N 3.17Å; A910-N914 PolarHBondContact O-ND2 3.42Å; A910-N914 PolarHBondContact O-OD1 2.93Å; V911-N914 WeakPolarHBondContact O-CB 3.34Å; V911-N914 PolarHBondContact O-N 3.47Å; L912-N914 VanDerWaalsContact C-N 3.33Å; L912-N914 PolarHBondContact O-N 2.96Å; N914-A917 PolarHBondContact O-N 3.12Å; N914-I918 WeakPolarHBondContact O-CG1 3.35Å; N914-I918 PolarHBondContact O-N 3.07Å |
| 915 | L | 93.5 | Very high | 91 | Very high | 75 Ų | 75 | 25.3 Ų | 25.3 | 39% | 0.393 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 175.3 | -66.4 | 175.4 | 0 | 0 | 0 | 111.6 | V911 L912 S913 A917 I918 H919 | V911-L915 PolarHBondContact O-N 2.96Å; L912-L915 HydrophobicContact CD2-CD1 4.32Å; L912-L915 WeakPolarHBondContact O-CB 3.28Å; L912-L915 PolarHBondContact O-N 2.92Å; S913-L915 VanDerWaalsContact C-N 3.32Å; S913-L915 PolarHBondContact O-N 3.04Å; L915-A917 VanDerWaalsContact C-N 3.34Å; L915-I918 PolarHBondContact O-N 2.87Å; L915-H919 PolarHBondContact O-N 3.01Å; L915-H919 PolarHBondContact O-ND1 3.03Å |
| 916 | I | 95 | Very high | 91.3 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 174.1 | -60.6 | 172.7 | 0 | 0 | 0 | 110 | L575 I579 I818 I822 L912 S913 I918 H919 F920 A943 I946 | L575-I916 HydrophobicContact CD2-CD1 4.21Å; L575-I916 HydrophobicContact CD2-CG1 4.47Å; I579-I916 HydrophobicContact CD1-CG1 4.36Å; I579-I916 HydrophobicContact CG1-CG1 4.22Å; I579-I916 HydrophobicContact CG1-CG2 4.1Å; I818-I916 HydrophobicContact CG2-CD1 3.95Å; I822-I916 HydrophobicContact CD1-CD1 4.36Å; L912-I916 PolarHBondContact O-N 3.13Å; S913-I916 PolarHBondContact O-N 3.4Å; I916-I918 PolarHBondContact O-N 2.82Å; I916-H919 WeakPolarHBondContact O-CB 3.26Å; I916-H919 PolarHBondContact O-N 3.11Å; I916-F920 HydrophobicContact CG2-CD2 4.01Å; I916-F920 HydrophobicContact CG2-CE2 3.66Å; I916-F920 HydrophobicContact CG2-CZ 4.3Å; I916-F920 PolarHBondContact O-N 2.97Å; I916-F920 VanDerWaalsContact O-N 3.15Å; I916-A943 HydrophobicContact CB-CB 4.28Å; I916-A943 HydrophobicContact CG2-CB 3.65Å; I916-I946 HydrophobicContact CD1-CD1 4.38Å |
| 917 | A | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.8 | -38 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F459 S913 N914 L915 H919 F920 F921 Y940 A943 M944 | F459-A917 HydrophobicContact CD1-CB 4.27Å; F459-A917 HydrophobicContact CE1-CB 3.67Å; F459-A917 HydrophobicContact CZ-CB 3.9Å; S913-A917 PolarHBondContact O-N 3Å; N914-A917 PolarHBondContact O-N 3.12Å; L915-A917 VanDerWaalsContact C-N 3.34Å; A917-H919 VanDerWaalsContact C-N 3.34Å; A917-H919 PolarHBondContact O-N 3.01Å; A917-F920 PolarHBondContact O-N 3.12Å; A917-F921 VanDerWaalsContact O-CB 3.31Å; A917-F921 WeakPolarHBondContact O-CB 3.47Å; A917-F921 PolarHBondContact O-N 2.84Å; A917-Y940 HydrophobicContact CB-CE2 4.35Å; A917-A943 HydrophobicContact CB-CB 4.15Å; A917-M944 HydrophobicContact CB-CG 4.2Å |
| 918 | I | 94 | Very high | 91.3 | Very high | 35 Ų | 35 | 32.6 Ų | 32.6 | 18% | 0.179 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 174.1 | -68.5 | 164.9 | 0 | 0 | 0 | 110.9 | F459 N914 L915 I916 F921 V922 | F459-I918 HydrophobicContact CB-CD1 3.58Å; F459-I918 HydrophobicContact CB-CG1 3.45Å; F459-I918 VanDerWaalsContact CB-CG1 3.45Å; F459-I918 HydrophobicContact CD2-CG1 3.98Å; F459-I918 HydrophobicContact CG-CD1 4.45Å; F459-I918 HydrophobicContact CG-CG1 3.81Å; N914-I918 WeakPolarHBondContact O-CG1 3.35Å; N914-I918 PolarHBondContact O-N 3.07Å; L915-I918 PolarHBondContact O-N 2.87Å; I916-I918 PolarHBondContact O-N 2.82Å; I918-F921 PolarHBondContact O-N 3.19Å; I918-V922 WeakPolarHBondContact O-CG2 3.4Å; I918-V922 PolarHBondContact O-N 2.76Å; I918-V922 VanDerWaalsContact O-N 3.09Å |
| 919 | H | 94 | Very high | 90.9 | Very high | 62 Ų | 62 | 32.5 Ų | 32.5 | 29% | 0.287 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.7 | -49.4 | 178.8 | -75.2 | 79.4 | 0 | 0 | 0 | 111.3 | E576 I579 L915 I916 A917 F921 V922 W923 | E576-H919 IonicContact OE1-NE2 2.86Å; I579-H919 HydrophobicContact CD1-CB 4.28Å; I579-H919 HydrophobicContact CG2-CB 4.39Å; L915-H919 PolarHBondContact O-N 3.01Å; L915-H919 PolarHBondContact O-ND1 3.03Å; I916-H919 WeakPolarHBondContact O-CB 3.26Å; I916-H919 PolarHBondContact O-N 3.11Å; A917-H919 VanDerWaalsContact C-N 3.34Å; A917-H919 PolarHBondContact O-N 3.01Å; H919-F921 VanDerWaalsContact C-N 3.32Å; H919-F921 PolarHBondContact O-N 2.86Å; H919-V922 PolarHBondContact O-N 2.98Å; H919-W923 PolarHBondContact O-N 2.89Å; H919-W923 VanDerWaalsContact O-N 3.13Å |
| 920 | F | 94.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 1% | 0.013 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.7 | -29.4 | 178.9 | -67.2 | -31 | 0 | 0 | 0 | 113.7 | I579 F582 F583 I916 A917 W923 L924 H939 Y940 A943 | I579-F920 HydrophobicContact CG2-CE1 3.93Å; I579-F920 HydrophobicContact CG2-CZ 4.39Å; F582-F920 HydrophobicContact CB-CE1 4.48Å; F582-F920 HydrophobicContact CB-CZ 4.05Å; F582-F920 HydrophobicContact CD1-CZ 4.36Å; F582-F920 HydrophobicContact CD2-CE2 4.16Å; F582-F920 AromaticContact CD2-CZ 3.58Å; F582-F920 HydrophobicContact CD2-CZ 3.58Å; F582-F920 HydrophobicContact CE2-CE2 4.23Å; F582-F920 HydrophobicContact CE2-CZ 4.08Å; F582-F920 HydrophobicContact CG-CE2 4.36Å; F582-F920 AromaticContact CG-CZ 3.74Å; F582-F920 HydrophobicContact CG-CZ 3.74Å; F582-F920 HydrophobicContact CZ-CE2 4.49Å; F583-F920 HydrophobicContact CE2-CD1 4.5Å; F583-F920 AromaticContact CE2-CE1 3.95Å; F583-F920 HydrophobicContact CE2-CE1 3.95Å; F583-F920 HydrophobicContact CZ-CE1 4.47Å; I916-F920 HydrophobicContact CG2-CD2 4.01Å; I916-F920 HydrophobicContact CG2-CE2 3.66Å; I916-F920 HydrophobicContact CG2-CZ 4.3Å; I916-F920 PolarHBondContact O-N 2.97Å; I916-F920 VanDerWaalsContact O-N 3.15Å; A917-F920 PolarHBondContact O-N 3.12Å; F920-W923 HydrophobicContact CD1-CE3 4.26Å; F920-W923 CarbonylContact O-C 3.58Å; F920-W923 PolarHBondContact O-N 2.84Å; F920-L924 PolarHBondContact O-N 2.67Å; F920-H939 HydrophobicContact CD1-CB 4.21Å; F920-H939 VanDerWaalsContact CD2-C 3.5Å; F920-H939 HydrophobicContact CD2-CB 3.95Å; F920-H939 WeakPolarHBondContact CD2-O 3.45Å; F920-H939 HydrophobicContact CE1-CB 4.32Å; F920-H939 HydrophobicContact CE2-CB 4.06Å; F920-H939 HydrophobicContact CG-CB 4.04Å; F920-H939 HydrophobicContact CZ-CB 4.26Å; F920-Y940 HydrophobicContact CB-CD2 4.32Å; F920-A943 HydrophobicContact CD2-CB 3.61Å; F920-A943 HydrophobicContact CE2-CB 4.01Å |
| 921 | F | 93.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -46 | 172.2 | 178.9 | -94.7 | 0 | 0 | 0 | 111.5 | I21 I24 Y25 V455 A917 I918 H919 W923 L924 Y940 | I21-F921 HydrophobicContact CG2-CD2 3.99Å; I21-F921 HydrophobicContact CG2-CE2 4.05Å; I24-F921 HydrophobicContact CD1-CZ 4.12Å; Y25-F921 HydrophobicContact CE2-CE1 4.42Å; Y25-F921 HydrophobicContact CE2-CE2 4.25Å; Y25-F921 AromaticContact CE2-CZ 3.97Å; Y25-F921 HydrophobicContact CE2-CZ 3.97Å; V455-F921 HydrophobicContact CB-CE1 4.24Å; V455-F921 HydrophobicContact CB-CE2 4.24Å; V455-F921 HydrophobicContact CB-CZ 3.84Å; V455-F921 HydrophobicContact CG1-CD2 4.09Å; V455-F921 HydrophobicContact CG1-CE1 4.26Å; V455-F921 HydrophobicContact CG1-CE2 3.69Å; V455-F921 HydrophobicContact CG1-CZ 3.79Å; V455-F921 HydrophobicContact CG2-CZ 4.24Å; A917-F921 VanDerWaalsContact O-CB 3.31Å; A917-F921 WeakPolarHBondContact O-CB 3.47Å; A917-F921 PolarHBondContact O-N 2.84Å; I918-F921 PolarHBondContact O-N 3.19Å; H919-F921 VanDerWaalsContact C-N 3.32Å; H919-F921 PolarHBondContact O-N 2.86Å; F921-W923 PolarHBondContact O-N 3.22Å; F921-L924 HydrophobicContact CD2-CD1 3.91Å; F921-L924 HydrophobicContact CE2-CD1 4.32Å; F921-L924 HydrophobicContact CG-CD1 4.48Å; F921-L924 WeakPolarHBondContact O-CD1 3.43Å; F921-L924 WeakPolarHBondContact O-CG 3.43Å; F921-L924 PolarHBondContact O-N 3.04Å; F921-Y940 HydrophobicContact CB-CD2 4.05Å; F921-Y940 HydrophobicContact CB-CE2 3.73Å; F921-Y940 HydrophobicContact CD2-CE2 4.1Å; F921-Y940 HydrophobicContact CG-CE2 4.4Å |
| 922 | V | 90.8 | Very high | 89.3 | Confident | 86 Ų | 86 | 40.8 Ų | 40.8 | 52% | 0.521 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.9 | -26.9 | 178.3 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | I918 H919 | I918-V922 WeakPolarHBondContact O-CG2 3.4Å; I918-V922 PolarHBondContact O-N 2.76Å; I918-V922 VanDerWaalsContact O-N 3.09Å; H919-V922 PolarHBondContact O-N 2.98Å |
| 923 | W | 91.4 | Very high | 89 | Confident | 88 Ų | 88 | 40.6 Ų | 40.6 | 33% | 0.333 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 13.7 | 179.4 | -65.8 | -13.2 | 0 | 0 | 0 | 114.8 | I579 W580 F583 H919 F920 F921 K925 | I579-W923 HydrophobicContact CG2-CE3 4.48Å; I579-W923 HydrophobicContact CG2-CH2 3.98Å; I579-W923 HydrophobicContact CG2-CZ3 3.54Å; W580-W923 HydrophobicContact CD2-CH2 4.31Å; W580-W923 AromaticContact CE2-CH2 3.72Å; W580-W923 HydrophobicContact CH2-CH2 4.24Å; W580-W923 AromaticContact CZ2-CH2 3.69Å; W580-W923 HydrophobicContact CZ2-CH2 3.69Å; W580-W923 HydrophobicContact CZ2-CZ2 4.02Å; W580-W923 AromaticContact NE1-CH2 3.97Å; F583-W923 HydrophobicContact CD2-CZ3 4.37Å; F583-W923 AromaticContact CE2-CE3 3.59Å; F583-W923 HydrophobicContact CE2-CE3 3.59Å; F583-W923 AromaticContact CE2-CZ3 3.6Å; F583-W923 HydrophobicContact CE2-CZ3 3.6Å; F583-W923 AromaticContact CZ-CE3 3.83Å; F583-W923 HydrophobicContact CZ-CE3 3.83Å; F583-W923 HydrophobicContact CZ-CZ3 4.3Å; H919-W923 PolarHBondContact O-N 2.89Å; H919-W923 VanDerWaalsContact O-N 3.13Å; F920-W923 HydrophobicContact CD1-CE3 4.26Å; F920-W923 CarbonylContact O-C 3.58Å; F920-W923 PolarHBondContact O-N 2.84Å; F921-W923 PolarHBondContact O-N 3.22Å; W923-K925 PolarHBondContact O-N 3.42Å |
| 924 | L | 91.9 | Very high | 88.6 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | trans | -59.5 | 135.5 | 173.1 | -75.6 | 166.5 | 0 | 0 | 0 | 111 | I21 Y25 F920 F921 | I21-L924 HydrophobicContact CB-CD1 3.83Å; I21-L924 HydrophobicContact CG2-CD1 3.44Å; I21-L924 VanDerWaalsContact CG2-CD1 3.44Å; Y25-L924 HydrophobicContact CD1-CB 4.09Å; Y25-L924 HydrophobicContact CD2-CD1 3.97Å; Y25-L924 HydrophobicContact CE1-CB 4.06Å; Y25-L924 HydrophobicContact CE2-CD1 4.03Å; Y25-L924 HydrophobicContact CG-CB 4.33Å; Y25-L924 HydrophobicContact CG-CD1 4.45Å; F920-L924 PolarHBondContact O-N 2.67Å; F921-L924 HydrophobicContact CD2-CD1 3.91Å; F921-L924 HydrophobicContact CE2-CD1 4.32Å; F921-L924 HydrophobicContact CG-CD1 4.48Å; F921-L924 WeakPolarHBondContact O-CD1 3.43Å; F921-L924 WeakPolarHBondContact O-CG 3.43Å; F921-L924 PolarHBondContact O-N 3.04Å | ||
| 925 | K | 89.1 | Confident | 88.2 | Confident | 94 Ų | 94 | 43.2 Ų | 43.2 | 41% | 0.409 | 23% | 0.226 | S | C | . | . | trans | -105.3 | 133.9 | 176.7 | -66 | -174.2 | 177.7 | -176.6 | 0 | 110.3 | Y26 W923 D932 S936 | Y26-K925 WeakPolarHBondContact CE1-O 3.47Å; Y26-K925 PolarHBondContact OH-O 2.88Å; W923-K925 PolarHBondContact O-N 3.42Å; K925-D932 HydrophobicContact CD-CB 4.14Å; K925-D932 IonicContact NZ-OD1 3.52Å; K925-D932 PolarHBondContact NZ-OD1 2.9Å; K925-S936 PolarHBondContact N-OG 3.28Å | ||
| 926 | D | 85 | Confident | 88 | Confident | 28 Ų | 28 | 40.1 Ų | 40.1 | 15% | 0.15 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -114.4 | 0.1 | 172 | 66.8 | -48.5 | 0 | 0 | 0 | 113.1 | Y26 K445 R448 | Y26-D926 HydrophobicContact CE1-CB 4.33Å; K445-D926 IonicContact NZ-OD1 2.74Å; K445-D926 IonicContact NZ-OD2 2.87Å; K445-D926 PolarHBondContact NZ-OD2 2.89Å; R448-D926 IonicContact CZ-OD2 3.7Å; R448-D926 IonicContact NH1-OD1 3.49Å; R448-D926 PolarHBondContact NH1-OD1 2.84Å; R448-D926 IonicContact NH1-OD2 3.31Å; R448-D926 PolarHBondContact NH1-OD2 2.98Å; R448-D926 IonicContact NH2-OD2 2.67Å; R448-D926 PolarHBondContact NH2-OD2 3.05Å |
| 927 | E | 83.4 | Confident | 87.8 | Confident | 120 Ų | 120 | 41 Ų | 41 | 56% | 0.561 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -131.9 | 154.9 | 179.9 | -65.9 | 175.3 | -169.1 | 0 | 0 | 109.5 | K445 | K445-E927 IonicContact NZ-OE1 3.75Å; K445-E927 PolarHBondContact NZ-OE1 2.78Å |
| 928 | G | 84.2 | Confident | 87.6 | Confident | 26 Ų | 26 | 42.6 Ų | 42.6 | 27% | 0.268 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 105.7 | -160.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V89 | V89-G928 WeakPolarHBondContact CG1-O 3.5Š|
| 929 | S | 80.3 | Confident | 87.5 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | trans | -70.3 | 159.4 | -177.9 | 66.8 | 0 | 0 | 0 | 0 | 111.9 | V89 G274 L931 D932 I933 | V89-S929 VanDerWaalsContact CG1-N 3.26Å; G274-S929 VanDerWaalsContact O-CB 3.22Å; G274-S929 WeakPolarHBondContact O-CB 3.31Å; S929-L931 PolarHBondContact O-N 3.21Å; S929-D932 PolarHBondContact N-OD2 2.64Å; S929-D932 WeakPolarHBondContact O-CB 3.39Å; S929-D932 PolarHBondContact O-N 3.36Å; S929-D932 VanDerWaalsContact OG-CG 3.25Å; S929-D932 PolarHBondContact OG-N 3.47Å; S929-D932 PolarHBondContact OG-OD2 3.12Å; S929-I933 PolarHBondContact O-N 2.93Å | ||
| 930 | W | 78.3 | Confident | 87.4 | Confident | 44 Ų | 44 | 38.5 Ų | 38.5 | 17% | 0.167 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.1 | -31.5 | 170.1 | -71.3 | 131 | 0 | 0 | 0 | 112.3 | P90 P95 E106 W115 I933 G934 | P90-W930 HydrophobicContact CB-CD2 4.24Å; P90-W930 HydrophobicContact CB-CG 4.01Å; P90-W930 HydrophobicContact CG-CD2 3.8Å; P90-W930 HydrophobicContact CG-CE3 4.45Å; P90-W930 HydrophobicContact CG-CG 4.11Å; P90-W930 HydrophobicContact CG-CH2 4.08Å; P90-W930 HydrophobicContact CG-CZ2 3.51Å; P90-W930 HydrophobicContact CG-CZ3 4.49Å; P90-W930 VanDerWaalsContact CG-NE1 3.28Å; P95-W930 HydrophobicContact CG-CZ2 4.18Å; E106-W930 HydrophobicContact CG-CH2 4.34Å; E106-W930 HydrophobicContact CG-CZ2 4.1Å; W115-W930 HydrophobicContact CD2-CD2 4.19Å; W115-W930 AromaticContact CD2-CE2 3.97Å; W115-W930 HydrophobicContact CD2-CE3 4.2Å; W115-W930 AromaticContact CD2-CH2 3.98Å; W115-W930 HydrophobicContact CD2-CH2 3.98Å; W115-W930 AromaticContact CD2-CZ2 3.82Å; W115-W930 HydrophobicContact CD2-CZ2 3.82Å; W115-W930 HydrophobicContact CD2-CZ3 4.18Å; W115-W930 AromaticContact CE2-CD2 3.82Å; W115-W930 AromaticContact CE2-CE3 3.54Å; W115-W930 AromaticContact CE2-CZ3 3.76Å; W115-W930 HydrophobicContact CE3-CE3 4.38Å; W115-W930 AromaticContact CE3-CH2 3.37Å; W115-W930 HydrophobicContact CE3-CH2 3.37Å; W115-W930 AromaticContact CE3-CZ2 3.39Å; W115-W930 HydrophobicContact CE3-CZ2 3.39Å; W115-W930 AromaticContact CE3-CZ3 3.91Å; W115-W930 HydrophobicContact CE3-CZ3 3.91Å; W115-W930 HydrophobicContact CH2-CD2 4.32Å; W115-W930 AromaticContact CH2-CE3 3.44Å; W115-W930 HydrophobicContact CH2-CE3 3.44Å; W115-W930 VanDerWaalsContact CH2-CE3 3.44Å; W115-W930 AromaticContact CH2-CH2 3.05Å; W115-W930 HydrophobicContact CH2-CH2 3.05Å; W115-W930 AromaticContact CH2-CZ2 3.9Å; W115-W930 HydrophobicContact CH2-CZ2 3.9Å; W115-W930 AromaticContact CH2-CZ3 2.77Å; W115-W930 HydrophobicContact CH2-CZ3 2.77Å; W115-W930 AromaticContact CZ2-CD2 3.86Å; W115-W930 HydrophobicContact CZ2-CD2 3.86Å; W115-W930 AromaticContact CZ2-CE3 3.08Å; W115-W930 HydrophobicContact CZ2-CE3 3.08Å; W115-W930 AromaticContact CZ2-CH2 3.62Å; W115-W930 HydrophobicContact CZ2-CH2 3.62Å; W115-W930 HydrophobicContact CZ2-CZ2 4.19Å; W115-W930 AromaticContact CZ2-CZ3 3.03Å; W115-W930 HydrophobicContact CZ2-CZ3 3.03Å; W115-W930 HydrophobicContact CZ3-CE3 4.06Å; W115-W930 AromaticContact CZ3-CH2 2.88Å; W115-W930 HydrophobicContact CZ3-CH2 2.88Å; W115-W930 AromaticContact CZ3-CZ2 3.48Å; W115-W930 HydrophobicContact CZ3-CZ2 3.48Å; W115-W930 VanDerWaalsContact CZ3-CZ2 3.48Å; W115-W930 AromaticContact CZ3-CZ3 3.26Å; W115-W930 HydrophobicContact CZ3-CZ3 3.26Å; W930-I933 HydrophobicContact CE3-CD1 4Å; W930-I933 HydrophobicContact CZ3-CD1 3.83Å; W930-G934 PolarHBondContact O-N 3.14Å |
| 931 | L | 78.1 | Confident | 87.3 | Confident | 111 Ų | 111 | 40.5 Ų | 40.5 | 58% | 0.581 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -66.6 | -44.5 | 173.8 | -174.5 | 64.9 | 0 | 0 | 0 | 111.4 | S929 I933 G934 T935 | S929-L931 PolarHBondContact O-N 3.21Å; L931-I933 PolarHBondContact O-N 3.01Å; L931-G934 PolarHBondContact O-N 3.28Å; L931-T935 HydrophobicContact CD1-CG2 3.97Å; L931-T935 HydrophobicContact CG-CG2 4.24Å; L931-T935 VanDerWaalsContact O-CB 3.27Å; L931-T935 WeakPolarHBondContact O-CB 3.35Å; L931-T935 WeakPolarHBondContact O-CG2 3.46Å; L931-T935 PolarHBondContact O-N 3.41Å; L931-T935 PolarHBondContact O-OG1 3.46Å |
| 932 | D | 83.9 | Confident | 87.1 | Confident | 53 Ų | 53 | 41.9 Ų | 41.9 | 28% | 0.283 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 176.6 | -73.9 | -62.7 | 0 | 0 | 0 | 112.1 | K925 S929 T935 S936 | K925-D932 HydrophobicContact CD-CB 4.14Å; K925-D932 IonicContact NZ-OD1 3.52Å; K925-D932 PolarHBondContact NZ-OD1 2.9Å; S929-D932 PolarHBondContact N-OD2 2.64Å; S929-D932 WeakPolarHBondContact O-CB 3.39Å; S929-D932 PolarHBondContact O-N 3.36Å; S929-D932 VanDerWaalsContact OG-CG 3.25Å; S929-D932 PolarHBondContact OG-N 3.47Å; S929-D932 PolarHBondContact OG-OD2 3.12Å; D932-T935 PolarHBondContact O-OG1 3.43Å; D932-S936 WeakPolarHBondContact O-CB 3.48Å; D932-S936 PolarHBondContact O-N 3.09Å; D932-S936 VanDerWaalsContact O-N 3.09Å |
| 933 | I | 85.7 | Confident | 87.2 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.4 | -52.5 | 178.5 | -65 | 171.4 | 0 | 0 | 0 | 109.3 | Y26 V108 I111 S929 W930 L931 T935 S936 I937 | Y26-I933 HydrophobicContact CE1-CG2 3.67Å; V108-I933 HydrophobicContact CG1-CD1 4.25Å; I111-I933 HydrophobicContact CD1-CG2 4.25Å; S929-I933 PolarHBondContact O-N 2.93Å; W930-I933 HydrophobicContact CE3-CD1 4Å; W930-I933 HydrophobicContact CZ3-CD1 3.83Å; L931-I933 PolarHBondContact O-N 3.01Å; I933-T935 PolarHBondContact O-N 3.2Å; I933-S936 PolarHBondContact O-N 2.96Å; I933-S936 PolarHBondContact O-OG 3.45Å; I933-I937 HydrophobicContact CG2-CD1 3.97Å; I933-I937 WeakPolarHBondContact O-CG1 3.16Å; I933-I937 PolarHBondContact O-N 3.44Å; I933-I937 VanDerWaalsContact O-N 3.08Å |
| 934 | G | 85.2 | Confident | 87.1 | Confident | 25 Ų | 25 | 34.3 Ų | 34.3 | 26% | 0.258 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.2 | -37.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | W930 L931 S938 | W930-G934 PolarHBondContact O-N 3.14Å; L931-G934 PolarHBondContact O-N 3.28Å; G934-S938 WeakPolarHBondContact O-CB 3.14Å; G934-S938 PolarHBondContact O-N 3.48Å; G934-S938 PolarHBondContact O-OG 3.4Å |
| 935 | T | 85.3 | Confident | 87 | Confident | 33 Ų | 33 | 36.3 Ų | 36.3 | 20% | 0.202 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.3 | -41.4 | 175.2 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | A832 L931 D932 I933 I937 S938 H939 | A832-T935 HydrophobicContact CB-CG2 4.29Å; L931-T935 HydrophobicContact CD1-CG2 3.97Å; L931-T935 HydrophobicContact CG-CG2 4.24Å; L931-T935 VanDerWaalsContact O-CB 3.27Å; L931-T935 WeakPolarHBondContact O-CB 3.35Å; L931-T935 WeakPolarHBondContact O-CG2 3.46Å; L931-T935 PolarHBondContact O-N 3.41Å; L931-T935 PolarHBondContact O-OG1 3.46Å; D932-T935 PolarHBondContact O-OG1 3.43Å; I933-T935 PolarHBondContact O-N 3.2Å; T935-I937 PolarHBondContact O-N 3.32Å; T935-S938 WeakPolarHBondContact O-CB 3.35Å; T935-S938 PolarHBondContact O-N 3.07Å; T935-H939 PolarHBondContact O-CD2 3.33Å; T935-H939 VanDerWaalsContact O-CG 3.24Å; T935-H939 PolarHBondContact O-N 2.91Å |
| 936 | S | 91 | Very high | 87 | Confident | 10 Ų | 10 | 32 Ų | 32 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 176.4 | 77.1 | 0 | 0 | 0 | 0 | 112.3 | K925 D932 I933 H939 Y940 | K925-S936 PolarHBondContact N-OG 3.28Å; D932-S936 WeakPolarHBondContact O-CB 3.48Å; D932-S936 PolarHBondContact O-N 3.09Å; D932-S936 VanDerWaalsContact O-N 3.09Å; I933-S936 PolarHBondContact O-N 2.96Å; I933-S936 PolarHBondContact O-OG 3.45Å; S936-H939 PolarHBondContact O-N 2.94Å; S936-Y940 PolarHBondContact O-N 2.96Å |
| 937 | I | 90.2 | Very high | 87 | Confident | 20 Ų | 20 | 31.6 Ų | 31.6 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 173.8 | -63.7 | 168.3 | 0 | 0 | 0 | 110.3 | I21 Y26 I111 I933 T935 H939 Y940 V941 | I21-I937 HydrophobicContact CD1-CG2 4.18Å; Y26-I937 HydrophobicContact CD2-CD1 4.42Å; Y26-I937 HydrophobicContact CE1-CD1 4.36Å; Y26-I937 HydrophobicContact CE2-CD1 3.66Å; Y26-I937 HydrophobicContact CE2-CG1 3.72Å; Y26-I937 WeakPolarHBondContact OH-CG1 3.44Å; I111-I937 HydrophobicContact CD1-CD1 3.33Å; I933-I937 HydrophobicContact CG2-CD1 3.97Å; I933-I937 WeakPolarHBondContact O-CG1 3.16Å; I933-I937 PolarHBondContact O-N 3.44Å; I933-I937 VanDerWaalsContact O-N 3.08Å; T935-I937 PolarHBondContact O-N 3.32Å; I937-H939 VanDerWaalsContact C-N 3.34Å; I937-H939 PolarHBondContact O-N 3.3Å; I937-Y940 PolarHBondContact O-N 3.13Å; I937-V941 HydrophobicContact CG2-CG2 4.19Å; I937-V941 VanDerWaalsContact O-CG2 3.32Å; I937-V941 WeakPolarHBondContact O-CG2 3.19Å; I937-V941 PolarHBondContact O-N 3.25Å |
| 938 | S | 89 | Confident | 87.1 | Confident | 35 Ų | 35 | 30.5 Ų | 30.5 | 25% | 0.245 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 180 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | G934 T935 Y940 V941 I942 | G934-S938 WeakPolarHBondContact O-CB 3.14Å; G934-S938 PolarHBondContact O-N 3.48Å; G934-S938 PolarHBondContact O-OG 3.4Å; T935-S938 WeakPolarHBondContact O-CB 3.35Å; T935-S938 PolarHBondContact O-N 3.07Å; S938-Y940 PolarHBondContact O-N 3.46Å; S938-V941 PolarHBondContact O-N 3.29Å; S938-I942 WeakPolarHBondContact O-CB 3.34Å; S938-I942 WeakPolarHBondContact O-CD1 3.37Å; S938-I942 WeakPolarHBondContact O-CG1 3.35Å; S938-I942 PolarHBondContact O-N 2.68Å |
| 939 | H | 91.8 | Very high | 87.1 | Confident | 11 Ų | 11 | 29.9 Ų | 29.9 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.6 | -46.8 | 176.8 | -64.9 | 168.7 | 0 | 0 | 0 | 111.6 | F582 F920 T935 S936 I937 V941 I942 A943 | F582-H939 AromaticContact CD1-CD2 3.6Å; F920-H939 HydrophobicContact CD1-CB 4.21Å; F920-H939 VanDerWaalsContact CD2-C 3.5Å; F920-H939 HydrophobicContact CD2-CB 3.95Å; F920-H939 WeakPolarHBondContact CD2-O 3.45Å; F920-H939 HydrophobicContact CE1-CB 4.32Å; F920-H939 HydrophobicContact CE2-CB 4.06Å; F920-H939 HydrophobicContact CG-CB 4.04Å; F920-H939 HydrophobicContact CZ-CB 4.26Å; T935-H939 PolarHBondContact O-CD2 3.33Å; T935-H939 VanDerWaalsContact O-CG 3.24Å; T935-H939 PolarHBondContact O-N 2.91Å; S936-H939 PolarHBondContact O-N 2.94Å; I937-H939 VanDerWaalsContact C-N 3.34Å; I937-H939 PolarHBondContact O-N 3.3Å; H939-V941 PolarHBondContact O-N 3.13Å; H939-I942 PolarHBondContact O-N 3.35Å; H939-A943 PolarHBondContact O-N 3.36Å |
| 940 | Y | 93 | Very high | 87.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 177 | 177.9 | -114.6 | 0 | 0 | 0 | 112.4 | Q17 I21 F459 A917 F920 F921 S936 I937 S938 A943 M944 | Q17-Y940 PolarHBondContact O-OH 2.76Å; I21-Y940 HydrophobicContact CD1-CD1 3.93Å; I21-Y940 HydrophobicContact CD1-CE1 4.17Å; I21-Y940 HydrophobicContact CG2-CD1 3.71Å; I21-Y940 HydrophobicContact CG2-CE1 3.27Å; F459-Y940 HydrophobicContact CE2-CE2 4.26Å; F459-Y940 HydrophobicContact CZ-CE2 4.02Å; F459-Y940 WeakPolarHBondContact CZ-OH 3.4Å; A917-Y940 HydrophobicContact CB-CE2 4.35Å; F920-Y940 HydrophobicContact CB-CD2 4.32Å; F921-Y940 HydrophobicContact CB-CD2 4.05Å; F921-Y940 HydrophobicContact CB-CE2 3.73Å; F921-Y940 HydrophobicContact CD2-CE2 4.1Å; F921-Y940 HydrophobicContact CG-CE2 4.4Å; S936-Y940 PolarHBondContact O-N 2.96Å; I937-Y940 PolarHBondContact O-N 3.13Å; S938-Y940 PolarHBondContact O-N 3.46Å; Y940-A943 PolarHBondContact O-N 3.49Å; Y940-M944 HydrophobicContact CD1-CE 3.49Å; Y940-M944 VanDerWaalsContact CD1-CE 3.49Å; Y940-M944 HydrophobicContact CD1-SD 4.39Å; Y940-M944 HydrophobicContact CE1-CE 3.19Å; Y940-M944 HydrophobicContact CE1-SD 3.65Å; Y940-M944 HydrophobicContact CE2-CE 4.42Å; Y940-M944 HydrophobicContact CE2-CG 4.32Å; Y940-M944 HydrophobicContact CE2-SD 4.16Å; Y940-M944 HydrophobicContact CG-CE 4.25Å; Y940-M944 VanDerWaalsContact CZ-SD 3.53Å; Y940-M944 PolarHBondContact O-N 3.27Å; Y940-M944 VanDerWaalsContact O-N 3.09Å |
| 941 | V | 91.4 | Very high | 87.4 | Confident | 44 Ų | 44 | 32.8 Ų | 32.8 | 27% | 0.267 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 178.6 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | F18 I937 S938 H939 A943 M944 S945 | F18-V941 HydrophobicContact CD2-CG2 4.05Å; F18-V941 HydrophobicContact CE2-CG2 3.67Å; I937-V941 HydrophobicContact CG2-CG2 4.19Å; I937-V941 VanDerWaalsContact O-CG2 3.32Å; I937-V941 WeakPolarHBondContact O-CG2 3.19Å; I937-V941 PolarHBondContact O-N 3.25Å; S938-V941 PolarHBondContact O-N 3.29Å; H939-V941 PolarHBondContact O-N 3.13Å; V941-A943 VanDerWaalsContact C-N 3.34Å; V941-A943 PolarHBondContact O-N 3.11Å; V941-M944 HydrophobicContact CG2-CE 4.27Å; V941-M944 PolarHBondContact O-N 2.8Å; V941-S945 VanDerWaalsContact O-CB 3.29Å; V941-S945 WeakPolarHBondContact O-CB 3.09Å; V941-S945 PolarHBondContact O-N 2.69Å; V941-S945 PolarHBondContact O-OG 2.91Å |
| 942 | I | 90.2 | Very high | 87.8 | Confident | 30 Ų | 30 | 31 Ų | 31 | 15% | 0.154 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -46.9 | 175 | -70.5 | 161.9 | 0 | 0 | 0 | 109.7 | F582 F825 S938 H939 M944 S945 I946 | F582-I942 HydrophobicContact CE1-CB 4.42Å; F582-I942 HydrophobicContact CE1-CD1 4.2Å; F582-I942 HydrophobicContact CE1-CG2 3.89Å; F582-I942 HydrophobicContact CZ-CG2 3.91Å; F825-I942 HydrophobicContact CE1-CD1 4.05Å; F825-I942 HydrophobicContact CE2-CD1 4.29Å; F825-I942 HydrophobicContact CZ-CD1 3.56Å; F825-I942 HydrophobicContact CZ-CG1 4.37Å; S938-I942 WeakPolarHBondContact O-CB 3.34Å; S938-I942 WeakPolarHBondContact O-CD1 3.37Å; S938-I942 WeakPolarHBondContact O-CG1 3.35Å; S938-I942 PolarHBondContact O-N 2.68Å; H939-I942 PolarHBondContact O-N 3.35Å; I942-M944 PolarHBondContact O-N 3Å; I942-S945 CarbonylContact O-C 3.5Å; I942-S945 WeakPolarHBondContact O-CA 3.49Å; I942-S945 WeakPolarHBondContact O-CB 3.2Å; I942-S945 PolarHBondContact O-N 3.34Å; I942-S945 VanDerWaalsContact O-N 3.09Å; I942-I946 WeakPolarHBondContact O-CG1 3.35Å; I942-I946 PolarHBondContact O-N 3.39Å |
| 943 | A | 92 | Very high | 87.9 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S913 I916 A917 F920 H939 Y940 V941 S945 I946 | S913-A943 PolarHBondContact OG-O 2.87Å; I916-A943 HydrophobicContact CB-CB 4.28Å; I916-A943 HydrophobicContact CG2-CB 3.65Å; A917-A943 HydrophobicContact CB-CB 4.15Å; F920-A943 HydrophobicContact CD2-CB 3.61Å; F920-A943 HydrophobicContact CE2-CB 4.01Å; H939-A943 PolarHBondContact O-N 3.36Å; Y940-A943 PolarHBondContact O-N 3.49Å; V941-A943 VanDerWaalsContact C-N 3.34Å; V941-A943 PolarHBondContact O-N 3.11Å; A943-S945 VanDerWaalsContact C-N 3.29Å; A943-S945 PolarHBondContact O-N 3.48Å; A943-I946 WeakPolarHBondContact O-CB 3.49Å; A943-I946 PolarHBondContact O-N 2.82Å |
| 944 | M | 90 | Very high | 87.7 | Confident | 15 Ų | 15 | 29.2 Ų | 29.2 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63 | -38.6 | 173.4 | -70.6 | -172.4 | -66 | 0 | 0 | 111.8 | Q17 F18 F459 A917 Y940 V941 I942 I946 S947 | Q17-M944 HydrophobicContact CB-SD 4.37Å; F18-M944 HydrophobicContact CB-CE 4.01Å; F18-M944 HydrophobicContact CB-SD 4.33Å; F18-M944 HydrophobicContact CD2-CE 3.7Å; F18-M944 HydrophobicContact CG-CE 4.36Å; F459-M944 HydrophobicContact CZ-CG 4.39Å; F459-M944 HydrophobicContact CZ-SD 4.35Å; A917-M944 HydrophobicContact CB-CG 4.2Å; Y940-M944 HydrophobicContact CD1-CE 3.49Å; Y940-M944 VanDerWaalsContact CD1-CE 3.49Å; Y940-M944 HydrophobicContact CD1-SD 4.39Å; Y940-M944 HydrophobicContact CE1-CE 3.19Å; Y940-M944 HydrophobicContact CE1-SD 3.65Å; Y940-M944 HydrophobicContact CE2-CE 4.42Å; Y940-M944 HydrophobicContact CE2-CG 4.32Å; Y940-M944 HydrophobicContact CE2-SD 4.16Å; Y940-M944 HydrophobicContact CG-CE 4.25Å; Y940-M944 VanDerWaalsContact CZ-SD 3.53Å; Y940-M944 PolarHBondContact O-N 3.27Å; Y940-M944 VanDerWaalsContact O-N 3.09Å; V941-M944 HydrophobicContact CG2-CE 4.27Å; V941-M944 PolarHBondContact O-N 2.8Å; I942-M944 PolarHBondContact O-N 3Å; M944-I946 VanDerWaalsContact C-N 3.27Å; M944-I946 PolarHBondContact O-N 3.45Å; M944-S947 PolarHBondContact O-N 2.75Å; M944-S947 PolarHBondContact O-OG 2.68Å |
| 945 | S | 89.3 | Confident | 87.6 | Confident | 54 Ų | 54 | 32 Ų | 32 | 38% | 0.378 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.3 | -22.1 | -179.6 | -59.1 | 0 | 0 | 0 | 0 | 113.3 | V941 I942 A943 S947 L948 A949 | V941-S945 VanDerWaalsContact O-CB 3.29Å; V941-S945 WeakPolarHBondContact O-CB 3.09Å; V941-S945 PolarHBondContact O-N 2.69Å; V941-S945 PolarHBondContact O-OG 2.91Å; I942-S945 CarbonylContact O-C 3.5Å; I942-S945 WeakPolarHBondContact O-CA 3.49Å; I942-S945 WeakPolarHBondContact O-CB 3.2Å; I942-S945 PolarHBondContact O-N 3.34Å; I942-S945 VanDerWaalsContact O-N 3.09Å; A943-S945 VanDerWaalsContact C-N 3.29Å; A943-S945 PolarHBondContact O-N 3.48Å; S945-S947 VanDerWaalsContact C-N 3.3Å; S945-S947 PolarHBondContact O-N 2.95Å; S945-L948 PolarHBondContact O-N 2.77Å; S945-A949 WeakPolarHBondContact O-CB 3.3Å; S945-A949 PolarHBondContact O-N 3.43Å |
| 946 | I | 90.5 | Very high | 87.7 | Confident | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.6 | -42.7 | 176.5 | -69.6 | 169.6 | 0 | 0 | 0 | 111.2 | I818 L821 I822 T909 I916 I942 A943 M944 A949 G950 | I818-I946 HydrophobicContact CD1-CG2 4.37Å; I818-I946 HydrophobicContact CG1-CG2 3.95Å; L821-I946 HydrophobicContact CD2-CB 4.27Å; L821-I946 HydrophobicContact CD2-CG1 4.11Å; L821-I946 HydrophobicContact CD2-CG2 3.87Å; I822-I946 HydrophobicContact CD1-CD1 4.04Å; I822-I946 HydrophobicContact CG1-CD1 4.14Å; T909-I946 HydrophobicContact CG2-CG2 4.49Å; I916-I946 HydrophobicContact CD1-CD1 4.38Å; I942-I946 WeakPolarHBondContact O-CG1 3.35Å; I942-I946 PolarHBondContact O-N 3.39Å; A943-I946 WeakPolarHBondContact O-CB 3.49Å; A943-I946 PolarHBondContact O-N 2.82Å; M944-I946 VanDerWaalsContact C-N 3.27Å; M944-I946 PolarHBondContact O-N 3.45Å; I946-A949 PolarHBondContact O-N 3.13Å; I946-G950 PolarHBondContact O-N 2.92Å |
| 947 | S | 84.9 | Confident | 87.6 | Confident | 18 Ų | 18 | 34 Ų | 34 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -46.8 | 179.2 | 69.8 | 0 | 0 | 0 | 0 | 111.7 | S913 M944 S945 G950 F951 | S913-S947 PolarHBondContact OG-N 3.37Å; M944-S947 PolarHBondContact O-N 2.75Å; M944-S947 PolarHBondContact O-OG 2.68Å; S945-S947 VanDerWaalsContact C-N 3.3Å; S945-S947 PolarHBondContact O-N 2.95Å; S947-G950 PolarHBondContact O-N 3.47Å; S947-F951 PolarHBondContact O-N 3.32Å; S947-F951 VanDerWaalsContact O-N 3.09Å |
| 948 | L | 84.9 | Confident | 87.2 | Confident | 97 Ų | 97 | 35.7 Ų | 35.7 | 51% | 0.508 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.4 | -44.8 | 177.8 | 179.6 | 62.6 | 0 | 0 | 0 | 111.2 | S945 G950 F951 L952 | S945-L948 PolarHBondContact O-N 2.77Å; L948-G950 VanDerWaalsContact C-N 3.34Å; L948-G950 PolarHBondContact O-N 2.98Å; L948-F951 PolarHBondContact O-N 3.03Å; L948-L952 HydrophobicContact CD1-CD1 3.83Å; L948-L952 HydrophobicContact CD1-CG 3.95Å; L948-L952 HydrophobicContact CD2-CD1 4.34Å; L948-L952 HydrophobicContact CG-CD1 3.76Å; L948-L952 HydrophobicContact CG-CG 4.25Å; L948-L952 WeakPolarHBondContact O-CB 3.39Å; L948-L952 WeakPolarHBondContact O-CG 3.47Å; L948-L952 PolarHBondContact O-N 3.33Å |
| 949 | A | 83.8 | Confident | 87.1 | Confident | 14 Ų | 14 | 38.6 Ų | 38.6 | 12% | 0.116 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L821 S945 I946 F951 L952 F953 | L821-A949 HydrophobicContact CD2-CB 4.36Å; S945-A949 WeakPolarHBondContact O-CB 3.3Å; S945-A949 PolarHBondContact O-N 3.43Å; I946-A949 PolarHBondContact O-N 3.13Å; A949-F951 VanDerWaalsContact C-N 3.33Å; A949-F951 PolarHBondContact O-N 3.45Å; A949-L952 PolarHBondContact O-N 3.02Å; A949-F953 HydrophobicContact CB-CD2 3.94Å; A949-F953 HydrophobicContact CB-CE2 3.59Å; A949-F953 HydrophobicContact CB-CZ 4.09Å; A949-F953 WeakPolarHBondContact O-CB 3.46Å; A949-F953 VanDerWaalsContact O-CD2 3.3Å; A949-F953 WeakPolarHBondContact O-CD2 3.15Å; A949-F953 WeakPolarHBondContact O-CG 3.39Å; A949-F953 PolarHBondContact O-N 2.91Å |
| 950 | G | 82.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.5 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F817 I946 S947 L948 T954 | F817-G950 VanDerWaalsContact CE1-CA 3.47Å; I946-G950 PolarHBondContact O-N 2.92Å; S947-G950 PolarHBondContact O-N 3.47Å; L948-G950 VanDerWaalsContact C-N 3.34Å; L948-G950 PolarHBondContact O-N 2.98Å; G950-T954 WeakPolarHBondContact O-CB 3.35Å; G950-T954 PolarHBondContact O-N 2.95Å; G950-T954 PolarHBondContact O-OG1 3.03Å |
| 951 | F | 83.2 | Confident | 86.6 | Confident | 111 Ų | 111 | 39.1 Ų | 39.1 | 49% | 0.487 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.8 | -51.2 | 176.1 | 178.3 | -102.1 | 0 | 0 | 0 | 112.7 | S947 L948 A949 T954 L955 | S947-F951 PolarHBondContact O-N 3.32Å; S947-F951 VanDerWaalsContact O-N 3.09Å; L948-F951 PolarHBondContact O-N 3.03Å; A949-F951 VanDerWaalsContact C-N 3.33Å; A949-F951 PolarHBondContact O-N 3.45Å; F951-T954 PolarHBondContact O-N 3.39Å; F951-L955 PolarHBondContact O-N 3.14Å |
| 952 | L | 85.3 | Confident | 86.2 | Confident | 72 Ų | 72 | 38.7 Ų | 38.7 | 38% | 0.377 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.8 | -46.8 | -176.3 | -70.8 | 177.7 | 0 | 0 | 0 | 112.3 | L948 A949 T954 L955 L956 | L948-L952 HydrophobicContact CD1-CD1 3.83Å; L948-L952 HydrophobicContact CD1-CG 3.95Å; L948-L952 HydrophobicContact CD2-CD1 4.34Å; L948-L952 HydrophobicContact CG-CD1 3.76Å; L948-L952 HydrophobicContact CG-CG 4.25Å; L948-L952 WeakPolarHBondContact O-CB 3.39Å; L948-L952 WeakPolarHBondContact O-CG 3.47Å; L948-L952 PolarHBondContact O-N 3.33Å; A949-L952 PolarHBondContact O-N 3.02Å; L952-T954 VanDerWaalsContact C-N 3.28Å; L952-T954 PolarHBondContact O-N 2.95Å; L952-L955 PolarHBondContact O-N 3.04Å; L952-L956 WeakPolarHBondContact O-CB 3.41Å; L952-L956 VanDerWaalsContact O-CG 3.3Å; L952-L956 WeakPolarHBondContact O-CG 3.26Å; L952-L956 PolarHBondContact O-N 2.87Å |
| 953 | F | 86.4 | Confident | 85.8 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 7% | 0.066 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.4 | -31.6 | -179.1 | -62 | -19.9 | 0 | 0 | 0 | 112.1 | L821 M863 M866 L867 A949 G957 | L821-F953 HydrophobicContact CD1-CD2 4.06Å; L821-F953 HydrophobicContact CD1-CE2 3.97Å; M863-F953 HydrophobicContact CE-CE1 4.01Å; M863-F953 HydrophobicContact CE-CZ 4.32Å; M866-F953 HydrophobicContact CB-CD2 4.17Å; M866-F953 HydrophobicContact CB-CE2 3.52Å; M866-F953 HydrophobicContact CB-CZ 4.05Å; M866-F953 HydrophobicContact CE-CE2 4.12Å; L867-F953 HydrophobicContact CD2-CD1 3.44Å; L867-F953 VanDerWaalsContact CD2-CD1 3.44Å; L867-F953 HydrophobicContact CD2-CE1 3.53Å; L867-F953 HydrophobicContact CD2-CG 4.32Å; L867-F953 HydrophobicContact CD2-CZ 4.46Å; L867-F953 HydrophobicContact CG-CD1 4.4Å; L867-F953 HydrophobicContact CG-CE1 4.19Å; A949-F953 HydrophobicContact CB-CD2 3.94Å; A949-F953 HydrophobicContact CB-CE2 3.59Å; A949-F953 HydrophobicContact CB-CZ 4.09Å; A949-F953 WeakPolarHBondContact O-CB 3.46Å; A949-F953 VanDerWaalsContact O-CD2 3.3Å; A949-F953 WeakPolarHBondContact O-CD2 3.15Å; A949-F953 WeakPolarHBondContact O-CG 3.39Å; A949-F953 PolarHBondContact O-N 2.91Å; F953-G957 WeakPolarHBondContact O-CA 3.41Å; F953-G957 PolarHBondContact O-N 3.31Å |
| 954 | T | 81.7 | Confident | 85 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.5 | -48.1 | 170.7 | -65.7 | 0 | 0 | 0 | 0 | 111.6 | Y873 I902 T906 G950 F951 L952 G957 R958 | Y873-T954 WeakPolarHBondContact CD1-OG1 3.47Å; I902-T954 HydrophobicContact CG2-CG2 3.89Å; T906-T954 HydrophobicContact CG2-CG2 4.4Å; G950-T954 WeakPolarHBondContact O-CB 3.35Å; G950-T954 PolarHBondContact O-N 2.95Å; G950-T954 PolarHBondContact O-OG1 3.03Å; F951-T954 PolarHBondContact O-N 3.39Å; L952-T954 VanDerWaalsContact C-N 3.28Å; L952-T954 PolarHBondContact O-N 2.95Å; T954-G957 PolarHBondContact O-N 2.96Å; T954-R958 PolarHBondContact O-N 2.96Å |
| 955 | L | 82.9 | Confident | 84 | Confident | 84 Ų | 84 | 46.6 Ų | 46.6 | 44% | 0.44 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.7 | -49.7 | 179.3 | -178.6 | 65.8 | 0 | 0 | 0 | 110.9 | F951 L952 R958 E959 | F951-L955 PolarHBondContact O-N 3.14Å; L952-L955 PolarHBondContact O-N 3.04Å; L955-R958 PolarHBondContact O-N 3.29Å; L955-E959 PolarHBondContact O-N 2.95Å |
| 956 | L | 87.2 | Confident | 82.4 | Confident | 84 Ų | 84 | 48.8 Ų | 48.8 | 44% | 0.44 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 175.8 | -70.4 | 172.9 | 0 | 0 | 0 | 110.9 | L867 L952 R958 E959 M960 | L867-L956 HydrophobicContact CD2-CD1 4.09Å; L952-L956 WeakPolarHBondContact O-CB 3.41Å; L952-L956 VanDerWaalsContact O-CG 3.3Å; L952-L956 WeakPolarHBondContact O-CG 3.26Å; L952-L956 PolarHBondContact O-N 2.87Å; L956-R958 VanDerWaalsContact C-N 3.26Å; L956-R958 PolarHBondContact O-N 3.49Å; L956-E959 PolarHBondContact O-N 3.39Å; L956-M960 VanDerWaalsContact O-CB 3.31Å; L956-M960 WeakPolarHBondContact O-CB 3.48Å; L956-M960 WeakPolarHBondContact O-CG 3.5Å; L956-M960 PolarHBondContact O-N 2.94Å |
| 957 | G | 88.7 | Confident | 80.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.4 | -40 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F953 T954 M960 L961 | F953-G957 WeakPolarHBondContact O-CA 3.41Å; F953-G957 PolarHBondContact O-N 3.31Å; T954-G957 PolarHBondContact O-N 2.96Å; G957-M960 PolarHBondContact O-N 3.22Å; G957-L961 VanDerWaalsContact O-CG 3.27Å; G957-L961 WeakPolarHBondContact O-CG 3.41Å; G957-L961 PolarHBondContact O-N 3.06Å |
| 958 | R | 83 | Confident | 79.4 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 21% | 0.211 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.7 | -47.6 | 175.8 | -177.8 | 178.6 | 173.6 | -171.3 | -5.3 | 112.5 | A874 T954 L955 L956 M960 L961 S962 | A874-R958 HydrophobicContact CB-CB 4.42Å; T954-R958 PolarHBondContact O-N 2.96Å; L955-R958 PolarHBondContact O-N 3.29Å; L956-R958 VanDerWaalsContact C-N 3.26Å; L956-R958 PolarHBondContact O-N 3.49Å; R958-M960 VanDerWaalsContact C-N 3.26Å; R958-M960 PolarHBondContact O-N 3.43Å; R958-L961 PolarHBondContact O-N 3.18Å; R958-S962 WeakPolarHBondContact O-CB 3.48Å; R958-S962 PolarHBondContact O-N 3.22Å; R958-S962 PolarHBondContact O-OG 2.88Å |
| 959 | E | 86 | Confident | 78.2 | Confident | 96 Ų | 96 | 54.5 Ų | 54.5 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 175.6 | -70.9 | -57.2 | 140.3 | 0 | 0 | 110.2 | L955 L956 L961 S962 F963 | L955-E959 PolarHBondContact O-N 2.95Å; L956-E959 PolarHBondContact O-N 3.39Å; E959-L961 PolarHBondContact O-N 2.86Å; E959-S962 PolarHBondContact O-N 2.95Å; E959-F963 WeakPolarHBondContact O-CA 3.44Å; E959-F963 WeakPolarHBondContact O-CB 3.4Å; E959-F963 PolarHBondContact O-N 3.28Å |
| 960 | M | 88 | Confident | 77 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 11% | 0.108 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 177.3 | -71.3 | 171.6 | 78.1 | 0 | 0 | 113.3 | R728 W732 Y736 V871 L956 G957 R958 | R728-M960 PolarHBondContact NH1-O 3.24Å; W732-M960 HydrophobicContact CB-CE 4.25Å; W732-M960 HydrophobicContact CD2-CB 4.29Å; W732-M960 HydrophobicContact CD2-CE 3.25Å; W732-M960 HydrophobicContact CE3-CE 3.03Å; W732-M960 HydrophobicContact CG-CE 3.79Å; W732-M960 HydrophobicContact CH2-CE 3.8Å; W732-M960 HydrophobicContact CH2-CG 4.19Å; W732-M960 HydrophobicContact CZ2-CB 3.85Å; W732-M960 HydrophobicContact CZ2-CE 4Å; W732-M960 HydrophobicContact CZ2-CG 3.95Å; W732-M960 HydrophobicContact CZ3-CE 3.32Å; W732-M960 PolarHBondContact NE1-O 2.79Å; Y736-M960 HydrophobicContact CE2-CE 3.59Å; Y736-M960 VanDerWaalsContact CZ-CE 3.48Å; Y736-M960 WeakPolarHBondContact OH-CE 3.48Å; Y736-M960 PolarHBondContact OH-SD 3.26Å; V871-M960 HydrophobicContact CG2-CB 4.45Å; V871-M960 HydrophobicContact CG2-CE 3.83Å; V871-M960 HydrophobicContact CG2-SD 3.81Å; L956-M960 VanDerWaalsContact O-CB 3.31Å; L956-M960 WeakPolarHBondContact O-CB 3.48Å; L956-M960 WeakPolarHBondContact O-CG 3.5Å; L956-M960 PolarHBondContact O-N 2.94Å; G957-M960 PolarHBondContact O-N 3.22Å; R958-M960 VanDerWaalsContact C-N 3.26Å; R958-M960 PolarHBondContact O-N 3.43Å |
| 961 | L | 87.1 | Confident | 75.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.9 | -37.1 | 177.2 | -71.9 | 171.8 | 0 | 0 | 0 | 112.7 | L725 R728 M729 T785 V871 A874 A875 L878 G957 R958 E959 | L725-L961 HydrophobicContact CD1-CD1 4.34Å; L725-L961 HydrophobicContact CD1-CD2 4.33Å; R728-L961 HydrophobicContact CB-CD2 4Å; M729-L961 HydrophobicContact CG-CD2 3.99Å; T785-L961 WeakPolarHBondContact CB-O 3.2Å; T785-L961 HydrophobicContact CG2-CB 4.1Å; T785-L961 HydrophobicContact CG2-CD2 4.45Å; T785-L961 WeakPolarHBondContact CG2-O 3.27Å; T785-L961 PolarHBondContact OG1-O 3.38Å; V871-L961 HydrophobicContact CG1-CD1 4.45Å; V871-L961 HydrophobicContact CG1-CD2 3.88Å; V871-L961 HydrophobicContact CG1-CG 4.07Å; A874-L961 HydrophobicContact CB-CD1 4.21Å; A875-L961 HydrophobicContact CB-CD1 3.95Å; L878-L961 HydrophobicContact CD1-CD1 3.86Å; G957-L961 VanDerWaalsContact O-CG 3.27Å; G957-L961 WeakPolarHBondContact O-CG 3.41Å; G957-L961 PolarHBondContact O-N 3.06Å; R958-L961 PolarHBondContact O-N 3.18Å; E959-L961 PolarHBondContact O-N 2.86Å |
| 962 | S | 82.9 | Confident | 74.9 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 24% | 0.238 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -95.9 | -29.1 | -170.9 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | R958 E959 S964 | R958-S962 WeakPolarHBondContact O-CB 3.48Å; R958-S962 PolarHBondContact O-N 3.22Å; R958-S962 PolarHBondContact O-OG 2.88Å; E959-S962 PolarHBondContact O-N 2.95Å; S962-S964 PolarHBondContact O-N 3.09Å |
| 963 | F | 82.3 | Confident | 73.7 | Confident | 108 Ų | 108 | 61.2 Ų | 61.2 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | trans | -67.3 | 120.9 | -175.5 | -171.3 | -103.6 | 0 | 0 | 0 | 111.4 | I718 R728 E959 | I718-F963 HydrophobicContact CB-CD1 4.47Å; I718-F963 HydrophobicContact CD1-CD1 4.12Å; I718-F963 HydrophobicContact CD1-CE1 4.37Å; I718-F963 HydrophobicContact CG1-CD1 4.13Å; I718-F963 HydrophobicContact CG2-CD1 3.57Å; I718-F963 HydrophobicContact CG2-CE1 3.61Å; R728-F963 PolarHBondContact NH1-O 3.39Å; R728-F963 PolarHBondContact NH2-O 2.88Å; E959-F963 WeakPolarHBondContact O-CA 3.44Å; E959-F963 WeakPolarHBondContact O-CB 3.4Å; E959-F963 PolarHBondContact O-N 3.28Å | ||
| 964 | S | 73.5 | Confident | 72.5 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | trans | -139.2 | 142.1 | 173.5 | 66.5 | 0 | 0 | 0 | 0 | 110.5 | S962 | S962-S964 PolarHBondContact O-N 3.09Š| ||
| 965 | V | 69.4 | Low | 71.5 | Confident | 53 Ų | 53 | 69.2 Ų | 69.2 | 32% | 0.321 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -76.7 | 128.4 | 172.2 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | I718 V719 I969 | I718-V965 HydrophobicContact CG2-CG2 3.84Å; V719-V965 HydrophobicContact CG2-CB 4.47Å; V719-V965 HydrophobicContact CG2-CG2 4.1Å; V965-I969 HydrophobicContact CG1-CD1 4.07Å |
| 966 | N | 56.1 | Low | 70.4 | Confident | 99 Ų | 99 | 68.9 Ų | 68.9 | 53% | 0.529 | 35% | 0.354 | S | S | . | . | trans | 5.6 | 108.4 | 177 | -159.6 | -7.1 | 0 | 0 | 0 | 115.2 | N968 I969 | N966-N968 PolarHBondContact O-N 3.16Å; N966-I969 PolarHBondContact O-N 2.71Å | ||
| 967 | S | 57 | Low | 68.9 | Low | 72 Ų | 72 | 66.3 Ų | 66.3 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -48.5 | -27.5 | -175.9 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | I969 N970 Q971 | S967-I969 PolarHBondContact O-N 3.02Å; S967-N970 PolarHBondContact O-N 3.41Å; S967-Q971 WeakPolarHBondContact O-CB 3.17Å; S967-Q971 WeakPolarHBondContact O-CG 3.4Å; S967-Q971 PolarHBondContact O-N 3.45Å |
| 968 | N | 54.7 | Low | 67.5 | Low | 90 Ų | 90 | 70.7 Ų | 70.7 | 48% | 0.481 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.8 | -37.1 | 174.5 | -75.8 | -25.4 | 0 | 0 | 0 | 114.4 | N966 K972 | N966-N968 PolarHBondContact O-N 3.16Å; N968-K972 WeakPolarHBondContact O-CB 3.33Å; N968-K972 VanDerWaalsContact O-CG 3.27Å; N968-K972 WeakPolarHBondContact O-CG 3.36Å; N968-K972 PolarHBondContact O-N 2.73Å |
| 969 | I | 59.3 | Low | 66.1 | Low | 78 Ų | 78 | 76 Ų | 76 | 40% | 0.4 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.3 | -46.3 | 178.1 | -65.7 | 176 | 0 | 0 | 0 | 109.5 | V965 N966 S967 Q971 K972 L973 | V965-I969 HydrophobicContact CG1-CD1 4.07Å; N966-I969 PolarHBondContact O-N 2.71Å; S967-I969 PolarHBondContact O-N 3.02Å; I969-Q971 VanDerWaalsContact C-N 3.34Å; I969-Q971 PolarHBondContact O-N 3.44Å; I969-K972 PolarHBondContact O-N 3.27Å; I969-K972 VanDerWaalsContact O-N 3.17Å; I969-L973 HydrophobicContact CG2-CD1 3.87Å; I969-L973 HydrophobicContact CG2-CG 4.39Å; I969-L973 WeakPolarHBondContact O-CG 3.44Å; I969-L973 PolarHBondContact O-N 2.78Å |
| 970 | N | 58.9 | Low | 64.2 | Low | 18 Ų | 18 | 79.2 Ų | 79.2 | 10% | 0.096 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 179.6 | -149.5 | -17 | 0 | 0 | 0 | 110.8 | S967 K972 L973 L974 | S967-N970 PolarHBondContact O-N 3.41Å; N970-K972 PolarHBondContact O-N 2.79Å; N970-L973 PolarHBondContact O-N 2.96Å; N970-L974 WeakPolarHBondContact O-CB 3.34Å; N970-L974 WeakPolarHBondContact O-CD1 3.49Å; N970-L974 VanDerWaalsContact O-CG 3.22Å; N970-L974 WeakPolarHBondContact O-CG 3.18Å; N970-L974 PolarHBondContact O-N 2.89Å |
| 971 | Q | 59.6 | Low | 62 | Low | 104 Ų | 104 | 85.2 Ų | 85.2 | 49% | 0.486 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 172.9 | -75.1 | -174.7 | 3.2 | 0 | 0 | 113.3 | S967 I969 K975 | S967-Q971 WeakPolarHBondContact O-CB 3.17Å; S967-Q971 WeakPolarHBondContact O-CG 3.4Å; S967-Q971 PolarHBondContact O-N 3.45Å; I969-Q971 VanDerWaalsContact C-N 3.34Å; I969-Q971 PolarHBondContact O-N 3.44Å; Q971-K975 WeakPolarHBondContact O-CB 3.48Å; Q971-K975 VanDerWaalsContact O-CG 3.3Å; Q971-K975 WeakPolarHBondContact O-CG 3.35Å; Q971-K975 PolarHBondContact O-N 3.03Å |
| 972 | K | 62 | Low | 60.8 | Low | 148 Ų | 148 | 89.5 Ų | 89.5 | 64% | 0.643 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.8 | -44.8 | 174.9 | -79.6 | 178.2 | -178.9 | -176.6 | 0 | 111.2 | N968 I969 N970 K975 V976 | N968-K972 WeakPolarHBondContact O-CB 3.33Å; N968-K972 VanDerWaalsContact O-CG 3.27Å; N968-K972 WeakPolarHBondContact O-CG 3.36Å; N968-K972 PolarHBondContact O-N 2.73Å; I969-K972 PolarHBondContact O-N 3.27Å; I969-K972 VanDerWaalsContact O-N 3.17Å; N970-K972 PolarHBondContact O-N 2.79Å; K972-K975 PolarHBondContact O-N 2.77Å; K972-V976 VanDerWaalsContact O-CG2 3.31Å; K972-V976 WeakPolarHBondContact O-CG2 3.43Å; K972-V976 PolarHBondContact O-N 2.75Å |
| 973 | L | 60.3 | Low | 59.6 | Low | 68 Ų | 68 | 92.4 Ų | 92.4 | 36% | 0.356 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 177.8 | -73.8 | 167.9 | 0 | 0 | 0 | 111.8 | L720 I969 N970 K975 V976 S977 | L720-L973 HydrophobicContact CD2-CD1 3.79Å; I969-L973 HydrophobicContact CG2-CD1 3.87Å; I969-L973 HydrophobicContact CG2-CG 4.39Å; I969-L973 WeakPolarHBondContact O-CG 3.44Å; I969-L973 PolarHBondContact O-N 2.78Å; N970-L973 PolarHBondContact O-N 2.96Å; L973-K975 VanDerWaalsContact C-N 3.29Å; L973-K975 PolarHBondContact O-N 3.35Å; L973-V976 PolarHBondContact O-N 2.87Å; L973-S977 PolarHBondContact O-N 2.91Å |
| 974 | L | 61.2 | Low | 58.4 | Low | 46 Ų | 46 | 91.6 Ų | 91.6 | 24% | 0.241 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -61.5 | -35.9 | 174.6 | -70.7 | 164.4 | 0 | 0 | 0 | 112.3 | N664 L666 F667 N970 S977 N978 | N664-L974 WeakPolarHBondContact ND2-CD2 3.14Å; L666-L974 HydrophobicContact CD2-CD2 3.9Å; L666-L974 HydrophobicContact CD2-CG 4.37Å; F667-L974 HydrophobicContact CE2-CD2 4.22Å; F667-L974 HydrophobicContact CZ-CD2 4.45Å; N970-L974 WeakPolarHBondContact O-CB 3.34Å; N970-L974 WeakPolarHBondContact O-CD1 3.49Å; N970-L974 VanDerWaalsContact O-CG 3.22Å; N970-L974 WeakPolarHBondContact O-CG 3.18Å; N970-L974 PolarHBondContact O-N 2.89Å; L974-S977 PolarHBondContact O-OG 3.04Å; L974-N978 PolarHBondContact O-N 3.34Å |
| 975 | K | 60.2 | Low | 57.5 | Low | 142 Ų | 142 | 93.9 Ų | 93.9 | 62% | 0.617 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -71.4 | -39.7 | 175 | -79 | 178.4 | -178.8 | 179.3 | 0 | 112.5 | Q971 K972 L973 K979 | Q971-K975 WeakPolarHBondContact O-CB 3.48Å; Q971-K975 VanDerWaalsContact O-CG 3.3Å; Q971-K975 WeakPolarHBondContact O-CG 3.35Å; Q971-K975 PolarHBondContact O-N 3.03Å; K972-K975 PolarHBondContact O-N 2.77Å; L973-K975 VanDerWaalsContact C-N 3.29Å; L973-K975 PolarHBondContact O-N 3.35Å; K975-K979 WeakPolarHBondContact O-CG 3.5Å; K975-K979 PolarHBondContact O-N 2.74Å |
| 976 | V | 60 | Low | 56.7 | Low | 77 Ų | 77 | 96.5 Ų | 96.5 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 178.7 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | K972 L973 N978 K979 H980 | K972-V976 VanDerWaalsContact O-CG2 3.31Å; K972-V976 WeakPolarHBondContact O-CG2 3.43Å; K972-V976 PolarHBondContact O-N 2.75Å; L973-V976 PolarHBondContact O-N 2.87Å; V976-N978 PolarHBondContact O-N 3.13Å; V976-K979 PolarHBondContact O-N 3.19Å; V976-H980 PolarHBondContact O-N 3.27Å |
| 977 | S | 57.3 | Low | 56.8 | Low | 30 Ų | 30 | 96.3 Ų | 96.3 | 21% | 0.21 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -64 | -27.3 | 179.5 | 80.4 | 0 | 0 | 0 | 0 | 113 | N664 L973 L974 | N664-S977 PolarHBondContact OD1-OG 2.98Å; N664-S977 VanDerWaalsContact OD1-OG 3.08Å; L973-S977 PolarHBondContact O-N 2.91Å; L974-S977 PolarHBondContact O-OG 3.04Å |
| 978 | N | 58 | Low | 56.7 | Low | 92 Ų | 92 | 98.1 Ų | 98.1 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -13 | 175 | -74.8 | -0.5 | 0 | 0 | 0 | 113.8 | N664 L974 V976 | N664-N978 PolarHBondContact ND2-OD1 3.07Å; L974-N978 PolarHBondContact O-N 3.34Å; V976-N978 PolarHBondContact O-N 3.13Å |
| 979 | K | 53.8 | Low | 56.9 | Low | 167 Ų | 167 | 98.7 Ų | 98.7 | 73% | 0.726 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -17.7 | -177.9 | -87.8 | -171 | 175.2 | -169.1 | 0 | 114.5 | K975 V976 V981 | K975-K979 WeakPolarHBondContact O-CG 3.5Å; K975-K979 PolarHBondContact O-N 2.74Å; V976-K979 PolarHBondContact O-N 3.19Å; K979-V981 VanDerWaalsContact C-N 3.26Å |
| 980 | H | 46.8 | Very low | 56.7 | Low | 165 Ų | 165 | 100.4 Ų | 100.4 | 76% | 0.764 | 50% | 0.5 | S | S | * | . | trans | -93.8 | 17.8 | 176.7 | -72.5 | -21.3 | 0 | 0 | 0 | 113.1 | V976 | V976-H980 PolarHBondContact O-N 3.27Š| ||
| 981 | V | 42 | Very low | 56.5 | Low | 148 Ų | 148 | 107.9 Ų | 107.9 | 90% | 0.897 | 54% | 0.536 | S | S | * | . | trans | -119.9 | 0 | 160.4 | -175.3 | 0 | 0 | 0 | 0 | 106 | K979 | K979-V981 VanDerWaalsContact C-N 3.26Š|
Retrieved 981 of 981 residues in 436.3 ms
(Link to these results)