| 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 | 46.3 | Very low | 52.9 | Low | 241 Ų | 241 | 143.5 Ų | 143.5 | 100% | 1.187 | 67% | 0.669 | S | S | * | * | 0 | -14.5 | 0 | -129.3 | 158.8 | 178.3 | 0 | 0 | 115.5 | R3 | M1-R3 PolarHBondContact O-N 3.25Š| |||
| 2 | S | 50.1 | Low | 53.9 | Low | 105 Ų | 105 | 141.7 Ų | 141.7 | 73% | 0.734 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -79 | -5.3 | -161.9 | -118.3 | 0 | 0 | 0 | 0 | 119.2 | K4 | S2-K4 VanDerWaalsContact C-N 3.35Å; S2-K4 PolarHBondContact O-N 3.23Å |
| 3 | R | 47.2 | Very low | 54.8 | Low | 220 Ų | 220 | 134.4 Ų | 134.4 | 83% | 0.83 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -73 | -21.4 | -172.1 | -132.8 | 178.6 | -165.2 | -178.8 | 5.1 | 114.4 | M1 | M1-R3 PolarHBondContact O-N 3.25Š|
| 4 | K | 46.6 | Very low | 55.4 | Low | 187 Ų | 187 | 130.9 Ų | 130.9 | 81% | 0.813 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -80.9 | -26.3 | -178.7 | -80.8 | -173.3 | 174.5 | -177.8 | 0 | 114.4 | S2 P8 | S2-K4 VanDerWaalsContact C-N 3.35Å; S2-K4 PolarHBondContact O-N 3.23Å; K4-P8 WeakPolarHBondContact O-CD 3.26Å; K4-P8 WeakPolarHBondContact O-CG 3.32Å |
| 5 | Y | 49.2 | Very low | 56.1 | Low | 189 Ų | 189 | 127.5 Ų | 127.5 | 74% | 0.741 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -12.8 | -179.4 | -83.6 | -88.8 | 0 | 0 | 0 | 114.4 | P8 | Y5-P8 WeakPolarHBondContact O-CD 3.23Å; Y5-P8 WeakPolarHBondContact O-CG 3.24Å |
| 6 | R | 52.5 | Low | 56.6 | Low | 103 Ų | 103 | 127.3 Ų | 127.3 | 39% | 0.389 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -78.2 | -36.5 | -176.2 | -166.7 | 175.6 | -175.2 | 176 | 3.1 | 114.4 | D331 | R6-D331 IonicContact CZ-OD1 3.69Å; R6-D331 IonicContact NE-OD1 3.91Å; R6-D331 IonicContact NH2-OD1 2.72Å; R6-D331 PolarHBondContact NH2-OD1 3.19Å |
| 7 | K | 51.8 | Low | 56.7 | Low | 169 Ų | 169 | 124.2 Ų | 124.2 | 74% | 0.735 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.9 | -54 | 171.8 | -75.6 | -169.7 | 174.3 | -171.3 | 0 | 112.3 | F9 I10 T11 | K7-F9 PolarHBondContact O-N 3.31Å; K7-I10 PolarHBondContact O-N 3.06Å; K7-T11 PolarHBondContact O-N 3.12Å; K7-T11 PolarHBondContact O-OG1 2.53Å |
| 8 | P | 54 | Low | 56.8 | Low | 66 Ų | 66 | 125.1 Ų | 125.1 | 43% | 0.429 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.7 | -28.7 | -175.8 | 23.1 | -33.5 | 0 | 0 | 0 | 113 | K4 Y5 F12 | K4-P8 WeakPolarHBondContact O-CD 3.26Å; K4-P8 WeakPolarHBondContact O-CG 3.32Å; Y5-P8 WeakPolarHBondContact O-CD 3.23Å; Y5-P8 WeakPolarHBondContact O-CG 3.24Å; P8-F12 WeakPolarHBondContact O-CA 3.43Å; P8-F12 WeakPolarHBondContact O-CB 3.3Å; P8-F12 PolarHBondContact O-N 2.95Å |
| 9 | F | 59 | Low | 56.7 | Low | 144 Ų | 144 | 125.5 Ų | 125.5 | 63% | 0.632 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68 | -44.6 | 176.8 | -160.9 | -97.3 | 0 | 0 | 0 | 113.1 | K7 F12 V13 | K7-F9 PolarHBondContact O-N 3.31Å; F9-F12 PolarHBondContact O-N 3.21Å; F9-V13 HydrophobicContact CD1-CG2 4.24Å; F9-V13 HydrophobicContact CE1-CG2 4Å; F9-V13 WeakPolarHBondContact O-CG2 3.44Å; F9-V13 PolarHBondContact O-N 3.33Å |
| 10 | I | 61.9 | Low | 56.7 | Low | 80 Ų | 80 | 120.9 Ų | 120.9 | 41% | 0.41 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.6 | -42 | 175.3 | -64.2 | 169.5 | 0 | 0 | 0 | 110.2 | K7 F12 V13 L14 | K7-I10 PolarHBondContact O-N 3.06Å; I10-F12 VanDerWaalsContact C-N 3.29Å; I10-F12 PolarHBondContact O-N 3.48Å; I10-V13 PolarHBondContact O-N 3.08Å; I10-L14 HydrophobicContact CG2-CD1 4.04Å; I10-L14 WeakPolarHBondContact O-CB 3.26Å; I10-L14 WeakPolarHBondContact O-CG 3.4Å; I10-L14 PolarHBondContact O-N 3.02Å |
| 11 | T | 63.3 | Low | 56.5 | Low | 75 Ų | 75 | 119.6 Ų | 119.6 | 46% | 0.46 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.2 | -32.6 | 174.5 | -46.3 | 0 | 0 | 0 | 0 | 111.8 | K7 L15 | K7-T11 PolarHBondContact O-N 3.12Å; K7-T11 PolarHBondContact O-OG1 2.53Å; T11-L15 HydrophobicContact CG2-CD1 4.02Å; T11-L15 HydrophobicContact CG2-CG 4.43Å; T11-L15 WeakPolarHBondContact O-CB 3.45Å; T11-L15 WeakPolarHBondContact O-CD1 3.42Å; T11-L15 WeakPolarHBondContact O-CG 3.26Å; T11-L15 PolarHBondContact O-N 3.16Å |
| 12 | F | 64.7 | Low | 56.8 | Low | 121 Ų | 121 | 112 Ų | 112 | 53% | 0.531 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -75.5 | -36.4 | 177.8 | -169.8 | -92.8 | 0 | 0 | 0 | 111.8 | P8 F9 I10 L15 F16 | P8-F12 WeakPolarHBondContact O-CA 3.43Å; P8-F12 WeakPolarHBondContact O-CB 3.3Å; P8-F12 PolarHBondContact O-N 2.95Å; F9-F12 PolarHBondContact O-N 3.21Å; I10-F12 VanDerWaalsContact C-N 3.29Å; I10-F12 PolarHBondContact O-N 3.48Å; F12-L15 CarbonylContact O-C 3.57Å; F12-F16 HydrophobicContact CD1-CD2 4.15Å; F12-F16 AromaticContact CE1-CD2 3.61Å; F12-F16 HydrophobicContact CE1-CD2 3.61Å; F12-F16 AromaticContact CE1-CE2 3.82Å; F12-F16 HydrophobicContact CE1-CE2 3.82Å; F12-F16 AromaticContact CZ-CD2 4Å; F12-F16 HydrophobicContact CZ-CD2 4Å; F12-F16 AromaticContact CZ-CE2 3.95Å; F12-F16 HydrophobicContact CZ-CE2 3.95Å; F12-F16 WeakPolarHBondContact O-CB 3.38Å; F12-F16 PolarHBondContact O-N 3.25Å |
| 13 | V | 65.4 | Low | 56.7 | Low | 47 Ų | 47 | 111.2 Ų | 111.2 | 29% | 0.285 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.7 | -44.1 | 171.5 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | F9 I10 F16 I17 | F9-V13 HydrophobicContact CD1-CG2 4.24Å; F9-V13 HydrophobicContact CE1-CG2 4Å; F9-V13 WeakPolarHBondContact O-CG2 3.44Å; F9-V13 PolarHBondContact O-N 3.33Å; I10-V13 PolarHBondContact O-N 3.08Å; V13-F16 PolarHBondContact O-N 3.49Å; V13-I17 HydrophobicContact CG1-CD1 4.11Å; V13-I17 WeakPolarHBondContact O-CG1 3.32Å; V13-I17 PolarHBondContact O-N 3.17Å |
| 14 | L | 64 | Low | 56.7 | Low | 86 Ų | 86 | 105.1 Ų | 105.1 | 45% | 0.45 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -44 | 173.6 | -71.2 | 170.4 | 0 | 0 | 0 | 111.2 | I10 F16 I17 F18 | I10-L14 HydrophobicContact CG2-CD1 4.04Å; I10-L14 WeakPolarHBondContact O-CB 3.26Å; I10-L14 WeakPolarHBondContact O-CG 3.4Å; I10-L14 PolarHBondContact O-N 3.02Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3.37Å; L14-I17 PolarHBondContact O-N 3.23Å; L14-F18 WeakPolarHBondContact O-CB 3.45Å; L14-F18 WeakPolarHBondContact O-CD2 3.26Å; L14-F18 PolarHBondContact O-N 3.1Å |
| 15 | L | 65.8 | Low | 56.4 | Low | 79 Ų | 79 | 100.1 Ų | 100.1 | 41% | 0.414 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -35.6 | 172 | -77.3 | 166.9 | 0 | 0 | 0 | 111.7 | T11 F12 I17 F18 H19 | T11-L15 HydrophobicContact CG2-CD1 4.02Å; T11-L15 HydrophobicContact CG2-CG 4.43Å; T11-L15 WeakPolarHBondContact O-CB 3.45Å; T11-L15 WeakPolarHBondContact O-CD1 3.42Å; T11-L15 WeakPolarHBondContact O-CG 3.26Å; T11-L15 PolarHBondContact O-N 3.16Å; F12-L15 CarbonylContact O-C 3.57Å; L15-I17 VanDerWaalsContact C-N 3.28Å; L15-I17 PolarHBondContact O-N 3.24Å; L15-F18 CarbonylContact O-C 3.59Å; L15-F18 PolarHBondContact O-N 3.31Å; L15-H19 WeakPolarHBondContact O-CA 2.99Å; L15-H19 WeakPolarHBondContact O-CB 3.26Å; L15-H19 PolarHBondContact O-N 3.1Å |
| 16 | F | 64.2 | Low | 56.2 | Low | 124 Ų | 124 | 97 Ų | 97 | 54% | 0.544 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -34.3 | 174.8 | -128.3 | -92.9 | 0 | 0 | 0 | 111.5 | F12 V13 L14 S20 | F12-F16 HydrophobicContact CD1-CD2 4.15Å; F12-F16 AromaticContact CE1-CD2 3.61Å; F12-F16 HydrophobicContact CE1-CD2 3.61Å; F12-F16 AromaticContact CE1-CE2 3.82Å; F12-F16 HydrophobicContact CE1-CE2 3.82Å; F12-F16 AromaticContact CZ-CD2 4Å; F12-F16 HydrophobicContact CZ-CD2 4Å; F12-F16 AromaticContact CZ-CE2 3.95Å; F12-F16 HydrophobicContact CZ-CE2 3.95Å; F12-F16 WeakPolarHBondContact O-CB 3.38Å; F12-F16 PolarHBondContact O-N 3.25Å; V13-F16 PolarHBondContact O-N 3.49Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3.37Å; F16-S20 WeakPolarHBondContact O-CB 3.41Å; F16-S20 PolarHBondContact O-N 3.23Å; F16-S20 PolarHBondContact O-OG 3.19Å |
| 17 | I | 58.5 | Low | 55.6 | Low | 75 Ų | 75 | 96.6 Ų | 96.6 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.4 | -39.5 | 174.1 | -67 | 164.9 | 0 | 0 | 0 | 111.1 | V13 L14 L15 | V13-I17 HydrophobicContact CG1-CD1 4.11Å; V13-I17 WeakPolarHBondContact O-CG1 3.32Å; V13-I17 PolarHBondContact O-N 3.17Å; L14-I17 PolarHBondContact O-N 3.23Å; L15-I17 VanDerWaalsContact C-N 3.28Å; L15-I17 PolarHBondContact O-N 3.24Å |
| 18 | F | 57.3 | Low | 55.1 | Low | 141 Ų | 141 | 92.5 Ų | 92.5 | 62% | 0.618 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -89.6 | -10.6 | -178.6 | -77.6 | -67.4 | 0 | 0 | 0 | 115.8 | L14 L15 L24 | L14-F18 WeakPolarHBondContact O-CB 3.45Å; L14-F18 WeakPolarHBondContact O-CD2 3.26Å; L14-F18 PolarHBondContact O-N 3.1Å; L15-F18 CarbonylContact O-C 3.59Å; L15-F18 PolarHBondContact O-N 3.31Å; F18-L24 WeakPolarHBondContact O-CD1 3.2Å |
| 19 | H | 56.3 | Low | 54.3 | Low | 133 Ų | 133 | 97 Ų | 97 | 62% | 0.616 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -127.4 | 1.4 | 178.9 | -75.1 | 11.3 | 0 | 0 | 0 | 113.3 | L15 P21 | L15-H19 WeakPolarHBondContact O-CA 2.99Å; L15-H19 WeakPolarHBondContact O-CB 3.26Å; L15-H19 PolarHBondContact O-N 3.1Å; H19-P21 VanDerWaalsContact O-CD 3.29Å; H19-P21 WeakPolarHBondContact O-CD 3.44Å; H19-P21 VanDerWaalsContact O-N 3.15Å |
| 20 | S | 56.2 | Low | 53.1 | Low | 33 Ų | 33 | 95.8 Ų | 95.8 | 23% | 0.231 | 53% | 0.533 | C | S | . | . | trans | -59.7 | 120.5 | 164 | -80.9 | 0 | 0 | 0 | 0 | 108.2 | F16 A22 M23 L24 | F16-S20 WeakPolarHBondContact O-CB 3.41Å; F16-S20 PolarHBondContact O-N 3.23Å; F16-S20 PolarHBondContact O-OG 3.19Å; S20-A22 PolarHBondContact O-N 3.38Å; S20-A22 VanDerWaalsContact O-N 3.09Å; S20-M23 PolarHBondContact O-N 3.06Å; S20-L24 PolarHBondContact O-N 2.89Å | ||
| 21 | P | 52.6 | Low | 51.7 | Low | 94 Ų | 94 | 97 Ų | 97 | 61% | 0.61 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.2 | -25.1 | 179.9 | 23 | -32.3 | 0 | 0 | 0 | 111.6 | H19 M23 L24 S25 | H19-P21 VanDerWaalsContact O-CD 3.29Å; H19-P21 WeakPolarHBondContact O-CD 3.44Å; H19-P21 VanDerWaalsContact O-N 3.15Å; P21-M23 PolarHBondContact O-N 3.32Å; P21-L24 PolarHBondContact O-N 2.95Å; P21-S25 WeakPolarHBondContact O-CB 3.33Å; P21-S25 PolarHBondContact O-N 3.48Å; P21-S25 PolarHBondContact O-OG 3.48Å |
| 22 | A | 51.6 | Low | 50.4 | Low | 80 Ų | 80 | 103.1 Ų | 103.1 | 66% | 0.661 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -57.9 | -25.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S20 | S20-A22 PolarHBondContact O-N 3.38Å; S20-A22 VanDerWaalsContact O-N 3.09Å |
| 23 | M | 49.3 | Very low | 48.6 | Very low | 89 Ų | 89 | 100.6 Ų | 100.6 | 44% | 0.438 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -97.5 | -38.9 | 175 | -84.3 | -71.9 | 175.5 | 0 | 0 | 112.4 | S20 P21 L26 I316 | S20-M23 PolarHBondContact O-N 3.06Å; P21-M23 PolarHBondContact O-N 3.32Å; M23-L26 PolarHBondContact O-N 2.92Å; M23-I316 HydrophobicContact CE-CG2 4.08Å |
| 24 | L | 46.1 | Very low | 46.9 | Very low | 92 Ų | 92 | 104.9 Ų | 104.9 | 48% | 0.482 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.3 | -37.2 | 179.2 | -79.2 | 172.6 | 0 | 0 | 0 | 113.1 | F18 S20 P21 L26 S27 A28 | F18-L24 WeakPolarHBondContact O-CD1 3.2Å; S20-L24 PolarHBondContact O-N 2.89Å; P21-L24 PolarHBondContact O-N 2.95Å; L24-L26 PolarHBondContact O-N 2.92Å; L24-S27 PolarHBondContact O-N 2.98Å; L24-A28 PolarHBondContact O-N 3.47Å |
| 25 | S | 41.6 | Very low | 45.1 | Very low | 83 Ų | 83 | 108 Ų | 108 | 58% | 0.58 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -18.8 | 175.2 | -68.4 | 0 | 0 | 0 | 0 | 113.3 | P21 S27 | P21-S25 WeakPolarHBondContact O-CB 3.33Å; P21-S25 PolarHBondContact O-N 3.48Å; P21-S25 PolarHBondContact O-OG 3.48Å; S25-S27 VanDerWaalsContact C-N 3.29Å |
| 26 | L | 44.1 | Very low | 43.3 | Very low | 124 Ų | 124 | 112.7 Ų | 112.7 | 65% | 0.649 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -14 | 172.8 | -118.1 | 77.4 | 0 | 0 | 0 | 113.6 | M23 L24 | M23-L26 PolarHBondContact O-N 2.92Å; L24-L26 PolarHBondContact O-N 2.92Å |
| 27 | S | 40.9 | Very low | 41.6 | Very low | 93 Ų | 93 | 111 Ų | 111 | 65% | 0.65 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -7.5 | -177.9 | -59.4 | 0 | 0 | 0 | 0 | 114 | L24 S25 | L24-S27 PolarHBondContact O-N 2.98Å; S25-S27 VanDerWaalsContact C-N 3.29Å |
| 28 | A | 40.9 | Very low | 40.3 | Very low | 84 Ų | 84 | 113.1 Ų | 113.1 | 69% | 0.694 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -106.4 | -4.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L24 | L24-A28 PolarHBondContact O-N 3.47Š|
| 29 | E | 37.4 | Very low | 38.8 | Very low | 160 Ų | 160 | 114.8 Ų | 114.8 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | trans | -107.1 | 58.7 | 178.2 | -140.8 | 167.9 | 121.4 | 0 | 0 | 110.6 | R306 | E29-R306 IonicContact OE1-NH1 3.64Å; E29-R306 PolarHBondContact OE1-NH1 3.36Å | ||
| 30 | T | 33.1 | Very low | 37.3 | Very low | 119 Ų | 119 | 115.4 Ų | 115.4 | 73% | 0.73 | 69% | 0.694 | S | S | * | * | trans | -122.6 | 129 | 166.4 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 31 | A | 33.3 | Very low | 35.8 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | trans | 66.5 | 89.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 32 | E | 34.8 | Very low | 34.5 | Very low | 204 Ų | 204 | 122.6 Ų | 122.6 | 95% | 0.953 | 73% | 0.728 | S | S | * | * | -133.5 | 93.1 | 128.4 | -156 | 173 | 167.7 | 0 | 0 | 108.7 | |||||
| 33 | G | 28.1 | Very low | 33.2 | Very low | 68 Ų | 68 | 123.8 Ų | 123.8 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | -134.1 | 109.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 108 | D35 | G33-D35 PolarHBondContact O-N 3.24Š| ||
| 34 | T | 28.5 | Very low | 32.1 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | -60.6 | 122.7 | -175.6 | -47.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 35 | D | 26.2 | Very low | 31.2 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -85 | 117.1 | 172.9 | -173.4 | 18 | 0 | 0 | 0 | 109.5 | G33 | G33-D35 PolarHBondContact O-N 3.24Š| ||
| 36 | E | 27.9 | Very low | 30.5 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -127.9 | 101.6 | 167.3 | -156 | 177.4 | 146.9 | 0 | 0 | 108.7 | ||||
| 37 | S | 28.1 | Very low | 29.8 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | trans | -65.6 | 152.3 | 179.8 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 38 | P | 31.1 | Very low | 29.2 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | -120.1 | 151.6 | 126.1 | -4.9 | 24.7 | 0 | 0 | 0 | 114.3 | |||||
| 39 | Q | 27.3 | Very low | 28.5 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -67.6 | 145 | -179.5 | -62 | 166.1 | -10.5 | 0 | 0 | 112.7 | ||||
| 40 | V | 24.8 | Very low | 28.5 | Very low | 145 Ų | 145 | 142 Ų | 142 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -113.5 | 120.3 | 159 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 41 | V | 25.3 | Very low | 28.1 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 71% | 0.709 | 80% | 0.801 | S | S | * | * | trans | -74.3 | 127.5 | 176.9 | 174.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 42 | L | 23.9 | Very low | 27.6 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -82 | 131.1 | 169.3 | -171.4 | 73.9 | 0 | 0 | 0 | 109.1 | ||||
| 43 | S | 25.2 | Very low | 27.3 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -128.3 | 122.6 | 169.3 | -60.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 44 | E | 25.9 | Very low | 27.4 | Very low | 179 Ų | 179 | 144.7 Ų | 144.7 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -78.9 | 142.5 | 171.4 | -56.5 | 173.6 | 127.9 | 0 | 0 | 109.6 | ||||
| 45 | E | 26.3 | Very low | 27.4 | Very low | 191 Ų | 191 | 143.4 Ų | 143.4 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | -173.2 | 155.4 | 128.6 | -116.1 | -169 | 123.9 | 0 | 0 | 115.2 | |||||
| 46 | S | 27.7 | Very low | 27.6 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | trans | 76.2 | 99.7 | 148.4 | -151.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 47 | E | 29.8 | Very low | 27.6 | Very low | 184 Ų | 184 | 144.8 Ų | 144.8 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -52.7 | 147.9 | 148.8 | -62.8 | 170.7 | 88.4 | 0 | 0 | 111.7 | ||||
| 48 | N | 27.1 | Very low | 27.7 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -163.8 | 133.8 | 141.1 | -105 | -56.9 | 0 | 0 | 0 | 113 | ||||
| 49 | K | 27.6 | Very low | 27.5 | Very low | 193 Ų | 193 | 148 Ų | 148 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -146.7 | 117.9 | 172.6 | -170.2 | -134.1 | -178.2 | 178.3 | 0 | 107.4 | ||||
| 50 | P | 35.6 | Very low | 27.7 | Very low | 109 Ų | 109 | 144 Ų | 144 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | -142.1 | -177.8 | 99.3 | 41.9 | -26.8 | 0 | 0 | 0 | 111.3 | |||||
| 51 | S | 25.6 | Very low | 28.1 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | cis | -141.7 | -167.2 | 12.4 | -43.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 52 | F | 23.6 | Very low | 28.5 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 70% | 0.697 | 78% | 0.782 | S | S | * | * | trans | -116.5 | 141.2 | 171.4 | 177.8 | -96.6 | 0 | 0 | 0 | 109.6 | E54 | F52-E54 HydrophobicContact CD1-CB 4.32Å; F52-E54 HydrophobicContact CE1-CB 3.48Å; F52-E54 VanDerWaalsContact CE1-CB 3.48Å; F52-E54 HydrophobicContact CE1-CG 4.36Å; F52-E54 VanDerWaalsContact CE1-OE2 3.26Å; F52-E54 WeakPolarHBondContact CE1-OE2 3.3Å; F52-E54 HydrophobicContact CZ-CB 3.69Å; F52-E54 HydrophobicContact CZ-CG 4.26Å; F52-E54 VanDerWaalsContact CZ-OE2 3.32Å; F52-E54 WeakPolarHBondContact CZ-OE2 3.43Å | ||
| 53 | V | 28.4 | Very low | 28.8 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -141.2 | 134.2 | 162.1 | 179 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 54 | E | 29.5 | Very low | 29.2 | Very low | 139 Ų | 139 | 155.1 Ų | 155.1 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | trans | -125 | 137.2 | -172.4 | 171.8 | 171.7 | -147.9 | 0 | 0 | 110.5 | F52 | F52-E54 HydrophobicContact CD1-CB 4.32Å; F52-E54 HydrophobicContact CE1-CB 3.48Å; F52-E54 VanDerWaalsContact CE1-CB 3.48Å; F52-E54 HydrophobicContact CE1-CG 4.36Å; F52-E54 VanDerWaalsContact CE1-OE2 3.26Å; F52-E54 WeakPolarHBondContact CE1-OE2 3.3Å; F52-E54 HydrophobicContact CZ-CB 3.69Å; F52-E54 HydrophobicContact CZ-CG 4.26Å; F52-E54 VanDerWaalsContact CZ-OE2 3.32Å; F52-E54 WeakPolarHBondContact CZ-OE2 3.43Å | ||
| 55 | S | 28.7 | Very low | 29.6 | Very low | 110 Ų | 110 | 155.3 Ų | 155.3 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -168.4 | 106.5 | 164 | -65 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 56 | E | 30 | Very low | 30 | Very low | 183 Ų | 183 | 155.5 Ų | 155.5 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | 52.2 | 121.5 | 93 | -57.9 | -163.3 | 136.8 | 0 | 0 | 111.8 | |||||
| 57 | E | 29 | Very low | 30.5 | Very low | 175 Ų | 175 | 161 Ų | 161 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | -154.9 | 167.4 | 50.4 | -133.1 | -178.1 | 139.2 | 0 | 0 | 114 | |||||
| 58 | L | 28.6 | Very low | 30.9 | Very low | 146 Ų | 146 | 158.6 Ų | 158.6 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | 0.2 | 153.4 | 152.9 | -96.6 | 71 | 0 | 0 | 0 | 121.3 | ||||
| 59 | D | 27.7 | Very low | 31.6 | Very low | 130 Ų | 130 | 155.9 Ų | 155.9 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | cis | -163.5 | 163.7 | 1.3 | -153 | -17.2 | 0 | 0 | 0 | 111.2 | ||||
| 60 | S | 31.9 | Very low | 32.2 | Very low | 93 Ų | 93 | 155.3 Ų | 155.3 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | trans | 32.9 | 116.8 | 155.7 | 71 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 61 | L | 31.7 | Very low | 32.5 | Very low | 174 Ų | 174 | 158.5 Ų | 158.5 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | -137.1 | 145 | 148.8 | -82.3 | 179.7 | 0 | 0 | 0 | 111.6 | ||||
| 62 | P | 33.6 | Very low | 33.1 | Very low | 115 Ų | 115 | 157.9 Ų | 157.9 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | trans | -88.5 | 154.7 | -161.4 | 33.7 | -36.5 | 0 | 0 | 0 | 115.3 | R64 | P62-R64 PolarHBondContact O-N 3.33Š| ||
| 63 | R | 30.9 | Very low | 33.8 | Very low | 241 Ų | 241 | 158 Ų | 158 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -50.8 | 120.3 | 168.7 | -87.6 | 177.6 | 164.6 | 162.7 | -5.2 | 111.5 | Q65 | R63-Q65 PolarHBondContact O-N 3.01Š| ||
| 64 | R | 33.4 | Very low | 34.2 | Very low | 231 Ų | 231 | 156 Ų | 156 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -69.9 | 108.8 | 156.8 | -85.4 | -176.2 | 171.5 | 177.1 | -1.9 | 109.1 | P62 | P62-R64 PolarHBondContact O-N 3.33Š| ||
| 65 | Q | 34.7 | Very low | 34.8 | Very low | 183 Ų | 183 | 155.4 Ų | 155.4 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -72.2 | 126.7 | 165.1 | -79.4 | 174.1 | -50.2 | 0 | 0 | 109.5 | R63 | R63-Q65 PolarHBondContact O-N 3.01Š| ||
| 66 | F | 35.7 | Very low | 35.1 | Very low | 195 Ų | 195 | 159.2 Ų | 159.2 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | trans | -77.6 | 129.4 | 163.6 | -63 | -87.7 | 0 | 0 | 0 | 108.1 | ||||
| 67 | K | 37.2 | Very low | 35.4 | Very low | 213 Ų | 213 | 153.9 Ų | 153.9 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | trans | -92.3 | 109.3 | 178.1 | -157.6 | 173.4 | -174.1 | -178.5 | 0 | 108.8 | ||||
| 68 | T | 38.5 | Very low | 35.6 | Very low | 132 Ų | 132 | 152.3 Ų | 152.3 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | trans | -63.6 | 150.5 | 177.8 | -25.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 69 | A | 42.1 | Very low | 36.2 | Very low | 100 Ų | 100 | 154.3 Ų | 154.3 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | trans | -73.8 | 134.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 70 | E | 40.3 | Very low | 36.7 | Very low | 181 Ų | 181 | 153.7 Ų | 153.7 | 85% | 0.846 | 83% | 0.834 | S | S | * | * | trans | -141.4 | 102.7 | 173.2 | -175.8 | -178.8 | 176.1 | 0 | 0 | 108.6 | ||||
| 71 | I | 40.9 | Very low | 37.2 | Very low | 176 Ų | 176 | 155.7 Ų | 155.7 | 90% | 0.903 | 84% | 0.844 | S | S | * | * | trans | -156.3 | 100.1 | 158.5 | 16.2 | 172.4 | 0 | 0 | 0 | 108.7 | ||||
| 72 | A | 38.8 | Very low | 37.5 | Very low | 98 Ų | 98 | 154.9 Ų | 154.9 | 81% | 0.81 | 84% | 0.839 | S | S | * | * | trans | -154 | 81.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 73 | D | 37.8 | Very low | 37.4 | Very low | 163 Ų | 163 | 155 Ų | 155 | 87% | 0.872 | 83% | 0.834 | S | S | * | * | trans | -170 | 144.3 | 137.3 | -132.5 | -23.4 | 0 | 0 | 0 | 111.9 | ||||
| 74 | A | 37.8 | Very low | 38.1 | Very low | 97 Ų | 97 | 149.8 Ų | 149.8 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | trans | 152 | 69.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 75 | V | 41.8 | Very low | 38.7 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -128.3 | 141.9 | 162.2 | 153.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 76 | M | 35.2 | Very low | 39.1 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 93% | 0.931 | 81% | 0.814 | S | S | * | * | trans | 73 | 124.3 | -166.4 | -53.2 | -178.5 | 172.8 | 0 | 0 | 114 | ||||
| 77 | G | 35.5 | Very low | 39.8 | Very low | 71 Ų | 71 | 139.9 Ų | 139.9 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | cis | 158 | 138 | -7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 78 | T | 33 | Very low | 40.3 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 87% | 0.871 | 81% | 0.813 | S | S | * | * | trans | -148.7 | 120.9 | 164.6 | 44.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 79 | E | 41.7 | Very low | 40.7 | Very low | 188 Ų | 188 | 137.7 Ų | 137.7 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -72.4 | 130.4 | 177.1 | -35.7 | -79.3 | 126.4 | 0 | 0 | 111.1 | ||||
| 80 | T | 38 | Very low | 40.6 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | trans | -141.4 | 134.4 | 153.3 | 50.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 81 | P | 42.1 | Very low | 40.5 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -81.5 | 133.1 | -177.4 | 30.4 | -30.4 | 0 | 0 | 0 | 110.9 | ||||
| 82 | I | 37.7 | Very low | 40.2 | Very low | 156 Ų | 156 | 137 Ų | 137 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -118.3 | 132.2 | 174.3 | -61.2 | 179.3 | 0 | 0 | 0 | 109.2 | ||||
| 83 | D | 32.7 | Very low | 40.2 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | trans | -70.6 | 137 | -175 | -174.9 | 53.6 | 0 | 0 | 0 | 112 | S85 | D83-S85 VanDerWaalsContact C-N 3.32Å; D83-S85 PolarHBondContact O-N 2.73Å; D83-S85 PolarHBondContact OD2-OG 3.32Å | ||
| 84 | P | 45.1 | Very low | 40 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 71.8 | -176.7 | 34 | -36.4 | 0 | 0 | 0 | 112.1 | ||
| 85 | S | 47 | Very low | 40 | Very low | 77 Ų | 77 | 145.6 Ų | 145.6 | 54% | 0.538 | 81% | 0.81 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -134.2 | -8.5 | -178.9 | 49 | 0 | 0 | 0 | 0 | 116.2 | D83 | D83-S85 VanDerWaalsContact C-N 3.32Å; D83-S85 PolarHBondContact O-N 2.73Å; D83-S85 PolarHBondContact OD2-OG 3.32Å |
| 86 | D | 41.8 | Very low | 39.6 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -109.7 | 44.6 | -175 | -85.8 | -36 | 0 | 0 | 0 | 115.3 | ||||
| 87 | I | 50.1 | Low | 39.6 | Very low | 168 Ų | 168 | 146.6 Ų | 146.6 | 86% | 0.862 | 81% | 0.806 | S | S | * | * | trans | -122.9 | 43.4 | 170.1 | -36.5 | -178.9 | 0 | 0 | 0 | 112.2 | ||||
| 88 | E | 48.1 | Very low | 39.3 | Very low | 193 Ų | 193 | 153.4 Ų | 153.4 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -137.6 | 66.4 | 170.9 | -76.5 | -156.7 | 114 | 0 | 0 | 112.7 | ||||
| 89 | S | 46.7 | Very low | 39.3 | Very low | 107 Ų | 107 | 155.2 Ų | 155.2 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -147.7 | 1 | 175.8 | 64.3 | 0 | 0 | 0 | 0 | 118 | ||
| 90 | L | 40.6 | Very low | 38.9 | Very low | 166 Ų | 166 | 151.9 Ų | 151.9 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -127.7 | 43.4 | -175.3 | -66.8 | 176.7 | 0 | 0 | 0 | 114.9 | ||||
| 91 | I | 38.2 | Very low | 38.7 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -119.5 | 120.3 | 167.9 | -56.8 | 178.3 | 0 | 0 | 0 | 109.6 | R93 | I91-R93 PolarHBondContact O-N 2.89Š| ||
| 92 | P | 34.5 | Very low | 38.2 | Very low | 123 Ų | 123 | 153.3 Ų | 153.3 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -73.1 | 124.7 | 179.4 | 28.3 | -33 | 0 | 0 | 0 | 112.2 | N94 | P92-N94 PolarHBondContact O-N 3.13Š| ||
| 93 | R | 39.2 | Very low | 38.3 | Very low | 241 Ų | 241 | 150.4 Ų | 150.4 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -82.7 | 96.8 | 177.6 | -71.2 | -179.6 | 173.9 | 164.9 | -1.1 | 112.7 | I91 | I91-R93 PolarHBondContact O-N 2.89Š| ||
| 94 | N | 32.9 | Very low | 38.8 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | 170.9 | 108.8 | 137.4 | -107.4 | -79.2 | 0 | 0 | 0 | 112.2 | P92 | P92-N94 PolarHBondContact O-N 3.13Š| ||
| 95 | V | 37.2 | Very low | 38.5 | Very low | 145 Ų | 145 | 150 Ų | 150 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | -146.7 | 144.4 | 129.5 | -173.3 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 96 | K | 34.5 | Very low | 38.3 | Very low | 183 Ų | 183 | 151.3 Ų | 151.3 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | trans | -67.3 | 150 | -179.8 | -96.2 | 160.2 | 171.5 | 165.6 | 0 | 113.4 | ||||
| 97 | D | 35.2 | Very low | 38.2 | Very low | 155 Ų | 155 | 151.9 Ų | 151.9 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | trans | -57.6 | 135.7 | 175.2 | -48.4 | -87.2 | 0 | 0 | 0 | 112.7 | ||||
| 98 | F | 28.6 | Very low | 37.8 | Very low | 213 Ų | 213 | 147.9 Ų | 147.9 | 93% | 0.934 | 82% | 0.823 | S | S | * | * | trans | -134.2 | 129.4 | 151.1 | -100.2 | -83.5 | 0 | 0 | 0 | 109.5 | ||||
| 99 | Q | 33.9 | Very low | 37.5 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | trans | -98 | 164.6 | -171.9 | -162.9 | 177 | 30.4 | 0 | 0 | 110.7 | ||||
| 100 | S | 33.9 | Very low | 37.1 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | 83.6 | 140.5 | 167 | 77.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 101 | G | 33.1 | Very low | 37.1 | Very low | 71 Ų | 71 | 145 Ų | 145 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 167.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 102 | F | 30.6 | Very low | 37 | Very low | 213 Ų | 213 | 148.9 Ų | 148.9 | 93% | 0.934 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 117.1 | -173 | -115.1 | -97.5 | 0 | 0 | 0 | 113 | ||
| 103 | S | 40.2 | Very low | 37 | Very low | 95 Ų | 95 | 148.5 Ų | 148.5 | 66% | 0.664 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 156.9 | 159.4 | -53 | 0 | 0 | 0 | 0 | 110.1 | ||
| 104 | P | 43.7 | Very low | 36.8 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 159.3 | 171.6 | 30.5 | -35 | 0 | 0 | 0 | 112 | ||
| 105 | P | 38.7 | Very low | 36.8 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 142.6 | -173.2 | 31.9 | -35.1 | 0 | 0 | 0 | 113 | ||
| 106 | C | 42.6 | Very low | 36.9 | Very low | 105 Ų | 105 | 140 Ų | 140 | 71% | 0.709 | 82% | 0.816 | S | S | * | * | trans | -115.5 | 122.4 | 164.3 | -63.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 107 | D | 40.9 | Very low | 36.5 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | -75.5 | 140.2 | 173 | -79.6 | -41.9 | 0 | 0 | 0 | 111.2 | N109 | D107-N109 PolarHBondContact O-N 3.22Š| ||
| 108 | G | 40.2 | Very low | 36.2 | Very low | 83 Ų | 83 | 137.4 Ų | 137.4 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | -89.2 | 111.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 109 | N | 41.3 | Very low | 36.2 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -160.8 | 119.1 | 132.1 | -154.4 | 24.9 | 0 | 0 | 0 | 111.7 | D107 | D107-N109 PolarHBondContact O-N 3.22Š|
| 110 | G | 38.6 | Very low | 36.1 | Very low | 75 Ų | 75 | 132.8 Ų | 132.8 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | S | Bend | trans | 106.6 | 139.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 111 | D | 40.2 | Very low | 35.8 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -71.6 | 149.7 | -174.6 | -68.8 | -65.5 | 0 | 0 | 0 | 114.6 | ||
| 112 | R | 37.2 | Very low | 35.6 | Very low | 234 Ų | 234 | 138.7 Ų | 138.7 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | 88.7 | 100.6 | 167.4 | -54.5 | 175.1 | 174.5 | -174.9 | -3.3 | 117.1 | V114 | R112-V114 HydrophobicContact CB-CG2 4.47Š| ||
| 113 | C | 33.7 | Very low | 35.4 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | -80.2 | 128.5 | 153.2 | -67.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 114 | V | 34.8 | Very low | 34.8 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | trans | -134 | 124.6 | 176.1 | 174.5 | 0 | 0 | 0 | 0 | 108.8 | R112 | R112-V114 HydrophobicContact CB-CG2 4.47Š| ||
| 115 | S | 34.3 | Very low | 34 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -80.5 | 145.8 | 164.8 | -50.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 116 | P | 37.9 | Very low | 33.3 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | -144.2 | 172.4 | 114.5 | 36.7 | -22.1 | 0 | 0 | 0 | 114.4 | |||||
| 117 | A | 27 | Very low | 32.5 | Very low | 88 Ų | 88 | 145.1 Ų | 145.1 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -87.8 | 175.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 118 | Q | 28.8 | Very low | 32.5 | Very low | 196 Ų | 196 | 142 Ų | 142 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | 77.2 | 114.6 | 168.8 | -55.2 | -175.1 | -50.8 | 0 | 0 | 118.1 | ||||
| 119 | A | 29.1 | Very low | 31.7 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -160.1 | 137.7 | 134.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 120 | E | 31.7 | Very low | 30.9 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -99.1 | 168.5 | 174.4 | -62.9 | 173.9 | 136.5 | 0 | 0 | 110.3 | ||||
| 121 | D | 27.1 | Very low | 30.2 | Very low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | 20.3 | 130.6 | 153.7 | -78 | -1.6 | 0 | 0 | 0 | 121.1 | ||||
| 122 | L | 28.2 | Very low | 29.5 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | -178.3 | 159.4 | 87.2 | -148.3 | 70.9 | 0 | 0 | 0 | 112.2 | |||||
| 123 | E | 27.3 | Very low | 28.9 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -71.7 | 168.6 | 168.9 | -64 | 174.8 | 88.6 | 0 | 0 | 113.4 | ||||
| 124 | L | 26.8 | Very low | 28.6 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 71% | 0.707 | 81% | 0.806 | S | S | * | * | 139.7 | 114.6 | 106.7 | -148.6 | 124.4 | 0 | 0 | 0 | 115.8 | |||||
| 125 | L | 27.4 | Very low | 28.2 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 71% | 0.707 | 81% | 0.806 | S | S | * | * | trans | 59.9 | 159.8 | 158.7 | -57.3 | -178.5 | 0 | 0 | 0 | 118.9 | ||||
| 126 | E | 25.2 | Very low | 27.7 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | cis | -155.4 | 168.1 | 1.7 | -130.5 | 155.8 | 166.5 | 0 | 0 | 110.4 | ||||
| 127 | E | 25.4 | Very low | 26.9 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -87 | -166 | 174.2 | -59.7 | -149.5 | 133.8 | 0 | 0 | 111.8 | ||||
| 128 | P | 40.4 | Very low | 26.9 | Very low | 102 Ų | 102 | 152.7 Ų | 152.7 | 66% | 0.662 | 81% | 0.808 | S | S | * | * | cis | -145.9 | -164.8 | 2.5 | 37.8 | -12.3 | 0 | 0 | 0 | 117.9 | ||||
| 129 | E | 22.8 | Very low | 26.7 | Very low | 182 Ų | 182 | 150.1 Ų | 150.1 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | 110.6 | 122.4 | 143.8 | -83.7 | 175.9 | 178.5 | 0 | 0 | 123.7 | ||||
| 130 | A | 25.8 | Very low | 26.7 | Very low | 89 Ų | 89 | 152.6 Ų | 152.6 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | 85.7 | 104.5 | 135.2 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 131 | E | 23.6 | Very low | 26.7 | Very low | 187 Ų | 187 | 149.7 Ų | 149.7 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | 38 | 132.2 | 132.4 | -55.2 | -166.4 | 160.7 | 0 | 0 | 121.7 | ||||
| 132 | S | 24.6 | Very low | 27.3 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | -176.3 | 171.5 | 76.9 | 47.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 133 | M | 24.8 | Very low | 27.1 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | trans | -79.6 | 152.5 | -167.8 | -61.4 | 156.8 | 53.1 | 0 | 0 | 115.5 | ||||
| 134 | Q | 27.5 | Very low | 27.1 | Very low | 203 Ų | 203 | 144.5 Ų | 144.5 | 95% | 0.949 | 78% | 0.777 | S | S | * | * | trans | -150.2 | 141.4 | 141.4 | -113.1 | 154.1 | 28.3 | 0 | 0 | 112.7 | ||||
| 135 | Q | 26.3 | Very low | 27.5 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | -131.4 | 127.8 | -166.2 | 179.5 | -177.6 | 15.2 | 0 | 0 | 108.2 | ||||
| 136 | V | 23 | Very low | 27.8 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -136.4 | 112.3 | 171.1 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 137 | T | 22.8 | Very low | 28.3 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 64% | 0.644 | 79% | 0.787 | S | S | * | * | trans | -90.3 | 143.8 | 171 | -41.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 138 | L | 26.5 | Very low | 28.4 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | -148.9 | 135.2 | 157.8 | -106.3 | 170.8 | 0 | 0 | 0 | 109.8 | ||||
| 139 | E | 23.8 | Very low | 28.3 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 66% | 0.659 | 80% | 0.801 | S | S | * | * | trans | -132.8 | 130.6 | -164.3 | -177.5 | -179.9 | 146.8 | 0 | 0 | 112.2 | ||||
| 140 | M | 29.6 | Very low | 28.8 | Very low | 158 Ų | 158 | 144 Ų | 144 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | trans | 53.8 | 158.2 | 159.7 | -62 | -176.1 | -145.6 | 0 | 0 | 119.3 | ||||
| 141 | V | 31.4 | Very low | 29.6 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | 168.5 | 151.6 | 82.3 | 155.6 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 142 | P | 39.1 | Very low | 30 | Very low | 111 Ų | 111 | 145 Ų | 145 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | cis | -139.7 | -159.5 | -33 | 41.6 | -20 | 0 | 0 | 0 | 113.4 | ||||
| 143 | A | 24.4 | Very low | 30.4 | Very low | 81 Ų | 81 | 145.3 Ų | 145.3 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | 69.6 | 144.8 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 144 | E | 27.9 | Very low | 31.2 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | cis | -151.1 | 158.2 | -9.3 | -156.2 | 100.1 | 156.3 | 0 | 0 | 107.6 | ||||
| 145 | L | 35.1 | Very low | 31.7 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -76.3 | 153.8 | 166.8 | -80.3 | 163.7 | 0 | 0 | 0 | 110.9 | ||||
| 146 | P | 33.6 | Very low | 32.7 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | -121.8 | 141.8 | 127.2 | 34.7 | -30.5 | 0 | 0 | 0 | 111.4 | |||||
| 147 | A | 34.9 | Very low | 34 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -83.7 | 132.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 148 | E | 29.3 | Very low | 35.2 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -160.2 | 157.9 | 131.1 | -119 | -179.6 | -170 | 0 | 0 | 111.5 | ||||
| 149 | E | 37.3 | Very low | 37 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -77.9 | 134.7 | -169.2 | -52 | 175.1 | 143.9 | 0 | 0 | 112 | ||||
| 150 | T | 33.1 | Very low | 39.2 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | -153 | 124.7 | 144.8 | -32.2 | 0 | 0 | 0 | 0 | 112.1 | T152 | T150-T152 PolarHBondContact O-N 3.24Š| ||
| 151 | N | 41.9 | Very low | 41.6 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | trans | -33.8 | 111.1 | 175.3 | -64.3 | -39.7 | 0 | 0 | 0 | 115 | ||||
| 152 | T | 32.1 | Very low | 44 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | trans | -99.5 | 107 | 156.6 | 42.2 | 0 | 0 | 0 | 0 | 109 | T150 E154 | T150-T152 PolarHBondContact O-N 3.24Å; T152-E154 PolarHBondContact O-N 3.47Å | ||
| 153 | T | 34.7 | Very low | 46.2 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | trans | -34.9 | 125.2 | 173.9 | -25.4 | 0 | 0 | 0 | 0 | 111.9 | T155 | T153-T155 PolarHBondContact O-N 2.89Š| ||
| 154 | E | 41 | Very low | 49 | Very low | 186 Ų | 186 | 127.5 Ų | 127.5 | 87% | 0.869 | 69% | 0.692 | S | S | * | * | trans | -53.9 | 110.6 | 166.4 | -69.8 | -176 | 134.3 | 0 | 0 | 108.2 | T152 A156 | T152-E154 PolarHBondContact O-N 3.47Å; E154-A156 PolarHBondContact O-N 2.85Å | ||
| 155 | T | 38.9 | Very low | 51.5 | Low | 134 Ų | 134 | 126.3 Ų | 126.3 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | trans | -72.4 | 82.7 | 168.2 | 41.9 | 0 | 0 | 0 | 0 | 107 | T153 K157 | T153-T155 PolarHBondContact O-N 2.89Å; T155-K157 PolarHBondContact O-N 2.86Å | ||
| 156 | A | 45.8 | Very low | 53.6 | Low | 82 Ų | 82 | 122.4 Ų | 122.4 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | trans | -48.6 | 106.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | E154 T158 | E154-A156 PolarHBondContact O-N 2.85Å; A156-T158 PolarHBondContact O-N 2.9Å | ||
| 157 | K | 49.9 | Very low | 55.5 | Low | 157 Ų | 157 | 123.5 Ų | 123.5 | 68% | 0.683 | 66% | 0.658 | S | S | * | * | trans | -58.1 | 110.4 | 173.2 | -84.6 | -179.2 | 177.6 | 172.3 | 0 | 106.6 | T155 Y159 | T155-K157 PolarHBondContact O-N 2.86Å; K157-Y159 HydrophobicContact CB-CD1 4.41Å; K157-Y159 HydrophobicContact CB-CE1 3.89Å; K157-Y159 HydrophobicContact CB-CE2 4.06Å; K157-Y159 HydrophobicContact CD-CE1 4.1Å; K157-Y159 WeakPolarHBondContact O-CD2 3.37Å; K157-Y159 WeakPolarHBondContact O-CE2 3.42Å; K157-Y159 PolarHBondContact O-N 2.88Å | ||
| 158 | T | 48.8 | Very low | 57.2 | Low | 139 Ų | 139 | 121.2 Ų | 121.2 | 85% | 0.853 | 63% | 0.634 | S | S | * | * | trans | -74 | 79.6 | 175.2 | 40.1 | 0 | 0 | 0 | 0 | 108.5 | A156 K160 | A156-T158 PolarHBondContact O-N 2.9Å; T158-K160 PolarHBondContact O-N 2.91Å | ||
| 159 | Y | 64.2 | Low | 58.5 | Low | 100 Ų | 100 | 118.5 Ų | 118.5 | 39% | 0.392 | 63% | 0.631 | S | S | . | * | trans | -54.1 | 139.7 | 173.1 | -57.2 | -69.9 | 0 | 0 | 0 | 109.5 | K157 V161 G282 | K157-Y159 HydrophobicContact CB-CD1 4.41Å; K157-Y159 HydrophobicContact CB-CE1 3.89Å; K157-Y159 HydrophobicContact CB-CE2 4.06Å; K157-Y159 HydrophobicContact CD-CE1 4.1Å; K157-Y159 WeakPolarHBondContact O-CD2 3.37Å; K157-Y159 WeakPolarHBondContact O-CE2 3.42Å; K157-Y159 PolarHBondContact O-N 2.88Å; Y159-V161 PolarHBondContact O-N 2.94Å; Y159-V161 VanDerWaalsContact O-N 3.14Å; Y159-G282 VanDerWaalsContact CE1-CA 3.41Å; Y159-G282 VanDerWaalsContact CG-CA 3.47Å | ||
| 160 | K | 69.7 | Low | 59.4 | Low | 161 Ų | 161 | 113.4 Ų | 113.4 | 70% | 0.7 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -70.9 | -13.9 | -167.1 | -166.5 | 162.7 | 177.6 | 178.6 | 0 | 113.4 | T158 Q280 | T158-K160 PolarHBondContact O-N 2.91Å; K160-Q280 PolarHBondContact N-O 3.49Å |
| 161 | V | 80.6 | Confident | 60.8 | Low | 5 Ų | 5 | 110.4 Ų | 110.4 | 3% | 0.03 | 61% | 0.608 | C | S | . | * | S | Bend | trans | -137.6 | 129.9 | 178.7 | -167.2 | 0 | 0 | 0 | 0 | 109.3 | Y159 C163 L253 Q255 M260 Q280 | Y159-V161 PolarHBondContact O-N 2.94Å; Y159-V161 VanDerWaalsContact O-N 3.14Å; V161-C163 PolarHBondContact O-N 3.38Å; V161-L253 HydrophobicContact CG2-CD2 4.09Å; V161-Q255 HydrophobicContact CG1-CB 3.81Å; V161-Q255 HydrophobicContact CG1-CG 3.95Å; V161-M260 HydrophobicContact CG1-CB 4.4Å; V161-M260 HydrophobicContact CG1-CG 3.86Å; V161-M260 HydrophobicContact CG1-SD 4.4Å; V161-M260 HydrophobicContact CG2-CB 3.63Å; V161-M260 HydrophobicContact CG2-CG 3.98Å; V161-Q280 PolarHBondContact N-O 3.26Å; V161-Q280 VanDerWaalsContact N-O 3.1Å |
| 162 | N | 82.2 | Confident | 61.6 | Low | 126 Ų | 126 | 111.9 Ų | 111.9 | 67% | 0.674 | 61% | 0.609 | S | S | * | * | trans | -91 | 97.7 | 174 | -176.1 | 31.6 | 0 | 0 | 0 | 110.1 | Q255 | N162-Q255 PolarHBondContact O-NE2 2.95Š| ||
| 163 | C | 84.1 | Confident | 63.3 | Low | 11 Ų | 11 | 108.8 Ų | 108.8 | 7% | 0.074 | 59% | 0.593 | C | S | . | * | P | Polyproline II helix | trans | -98.3 | 129.6 | -173.8 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | V161 C196 T281 F283 | V161-C163 PolarHBondContact O-N 3.38Å; C163-C196 HydrophobicContact CB-CB 3.61Å; C163-C196 WeakPolarHBondContact CB-SG 3.3Å; C163-C196 WeakPolarHBondContact SG-CB 3.37Å; C163-C196 CovalentContact SG-SG 2.02Å; C163-C196 PolarHBondContact SG-SG 3.28Å; C163-T281 VanDerWaalsContact SG-CG2 3.55Å; C163-F283 HydrophobicContact CB-CD2 4.35Å; C163-F283 HydrophobicContact CB-CE1 4.23Å; C163-F283 HydrophobicContact CB-CE2 3.36Å; C163-F283 HydrophobicContact CB-CZ 3.3Å; C163-F283 VanDerWaalsContact O-CZ 3.26Å; C163-F283 WeakPolarHBondContact O-CZ 3.35Å |
| 164 | D | 83.9 | Confident | 65.5 | Low | 80 Ų | 80 | 105.4 Ų | 105.4 | 43% | 0.428 | 57% | 0.568 | S | S | . | * | B | Isolated β-bridge | trans | -74.1 | 141.7 | 165.7 | -75 | -31.4 | 0 | 0 | 0 | 110.6 | T194 | D164-T194 PolarHBondContact N-O 3.29Å; D164-T194 VanDerWaalsContact OD2-CB 3.24Å; D164-T194 WeakPolarHBondContact OD2-CB 3.02Å; D164-T194 PolarHBondContact OD2-OG1 3.48Å |
| 165 | K | 81.1 | Confident | 67.7 | Low | 152 Ų | 152 | 100.9 Ų | 100.9 | 66% | 0.661 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 126.2 | 177.1 | -68.5 | -179.7 | -179.1 | 178.9 | 0 | 109.5 | F283 | K165-F283 HydrophobicContact CD-CE1 4.21Å; K165-F283 HydrophobicContact CG-CD1 4.12Å; K165-F283 HydrophobicContact CG-CE1 3.35Å; K165-F283 HydrophobicContact CG-CZ 3.82Å |
| 166 | R | 79 | Confident | 70.2 | Confident | 79 Ų | 79 | 94.7 Ų | 94.7 | 30% | 0.298 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 140.2 | 170.7 | -171 | -169 | 178.6 | 166.5 | 1.3 | 110.5 | V168 S225 H227 | R166-V168 PolarHBondContact O-N 2.68Å; R166-S225 VanDerWaalsContact CB-O 3.26Å; R166-S225 WeakPolarHBondContact CB-O 3.31Å; R166-S225 PolarHBondContact N-O 3.42Å; R166-H227 VanDerWaalsContact CD-NE2 3.32Å; R166-H227 WeakPolarHBondContact CD-NE2 3.18Å; R166-H227 PolarHBondContact NE-NE2 2.83Å; R166-H227 PolarHBondContact NH1-CE1 3.47Å; R166-H227 VanDerWaalsContact NH1-CE1 3.33Å; R166-H227 PolarHBondContact NH1-ND1 2.91Å |
| 167 | N | 73 | Confident | 72.5 | Confident | 143 Ų | 143 | 94.7 Ų | 94.7 | 77% | 0.765 | 50% | 0.501 | S | S | * | . | trans | -68.5 | 111.4 | 167.5 | -72.7 | -38.4 | 0 | 0 | 0 | 110.4 | ||||
| 168 | V | 70.1 | Confident | 74.6 | Confident | 50 Ų | 50 | 89.7 Ų | 89.7 | 30% | 0.303 | 48% | 0.483 | S | S | . | . | trans | -86.6 | -9.5 | -178 | 177.2 | 0 | 0 | 0 | 0 | 112.7 | R166 G170 L171 F174 P224 | R166-V168 PolarHBondContact O-N 2.68Å; V168-G170 PolarHBondContact O-N 3.25Å; V168-L171 PolarHBondContact O-N 3.29Å; V168-F174 HydrophobicContact CG1-CE1 3.68Å; V168-F174 HydrophobicContact CG1-CZ 3.5Å; V168-P224 HydrophobicContact CG1-CB 4.28Å; V168-P224 HydrophobicContact CG2-CB 4.22Å; V168-P224 WeakPolarHBondContact CG2-O 3.46Å | ||
| 169 | T | 56.9 | Low | 76.6 | Confident | 141 Ų | 141 | 83.4 Ų | 83.4 | 87% | 0.865 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 101.7 | -170.6 | -30.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 170 | G | 55.6 | Low | 77.9 | Confident | 81 Ų | 81 | 83.4 Ų | 83.4 | 84% | 0.835 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.7 | 6.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | V168 | V168-G170 PolarHBondContact O-N 3.25Š|
| 171 | L | 64.1 | Low | 78.6 | Confident | 68 Ų | 68 | 78.8 Ų | 78.8 | 36% | 0.356 | 44% | 0.444 | S | S | . | . | trans | -103.2 | 107.4 | 173.6 | -169.3 | 70.4 | 0 | 0 | 0 | 110.9 | V168 F174 | V168-L171 PolarHBondContact O-N 3.29Å; L171-F174 HydrophobicContact CD2-CD1 4.34Å; L171-F174 HydrophobicContact CD2-CE1 4.32Å; L171-F174 VanDerWaalsContact O-CZ 3.23Å; L171-F174 WeakPolarHBondContact O-CZ 3.45Å | ||
| 172 | E | 58.5 | Low | 78.9 | Confident | 191 Ų | 191 | 84 Ų | 84 | 89% | 0.893 | 48% | 0.48 | S | S | * | . | trans | -87.2 | -20.7 | 179.2 | -60.6 | -162.8 | 156.7 | 0 | 0 | 113.7 | ||||
| 173 | S | 67.9 | Low | 79.3 | Confident | 72 Ų | 72 | 80.9 Ų | 80.9 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | trans | -107.2 | 98.2 | -179.5 | 61.7 | 0 | 0 | 0 | 0 | 112.1 | T175 | S173-T175 PolarHBondContact O-N 2.79Š| ||
| 174 | F | 80 | Confident | 79.4 | Confident | 56 Ų | 56 | 83.4 Ų | 83.4 | 25% | 0.246 | 47% | 0.474 | C | S | . | . | trans | -82.8 | 92.8 | 170.7 | -56.4 | -70.8 | 0 | 0 | 0 | 110.1 | V168 L171 P220 P224 | V168-F174 HydrophobicContact CG1-CE1 3.68Å; V168-F174 HydrophobicContact CG1-CZ 3.5Å; L171-F174 HydrophobicContact CD2-CD1 4.34Å; L171-F174 HydrophobicContact CD2-CE1 4.32Å; L171-F174 VanDerWaalsContact O-CZ 3.23Å; L171-F174 WeakPolarHBondContact O-CZ 3.45Å; F174-P220 HydrophobicContact CB-CB 3.75Å; F174-P220 WeakPolarHBondContact O-CB 3.31Å; F174-P224 HydrophobicContact CD1-CB 3.57Å; F174-P224 HydrophobicContact CD2-CB 4.37Å; F174-P224 HydrophobicContact CE1-CB 3.27Å; F174-P224 HydrophobicContact CE2-CB 4.12Å; F174-P224 HydrophobicContact CG-CB 4.13Å; F174-P224 HydrophobicContact CZ-CB 3.59Å | ||
| 175 | T | 87.1 | Confident | 79.7 | Confident | 90 Ų | 90 | 79.6 Ų | 79.6 | 55% | 0.552 | 45% | 0.454 | S | S | * | . | trans | -123.7 | 151.4 | 179.5 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | S173 | S173-T175 PolarHBondContact O-N 2.79Š| ||
| 176 | V | 92.6 | Very high | 80.1 | Confident | 4 Ų | 4 | 74.1 Ų | 74.1 | 2% | 0.024 | 43% | 0.431 | C | S | . | . | trans | -64.9 | 135 | 171.5 | 176.5 | 0 | 0 | 0 | 0 | 109.8 | F216 P220 F228 A230 P299 L300 | V176-F216 HydrophobicContact CG1-CD1 3.98Å; V176-F216 HydrophobicContact CG1-CE1 3.74Å; V176-F216 HydrophobicContact CG2-CD1 3.78Å; V176-F216 HydrophobicContact CG2-CE1 4.02Å; V176-F216 WeakPolarHBondContact CG2-O 3.26Å; V176-P220 HydrophobicContact CG2-CG 3.71Å; V176-F228 HydrophobicContact CG2-CB 4.12Å; V176-A230 HydrophobicContact CG1-CB 3.8Å; V176-P299 HydrophobicContact CB-CG 4.29Å; V176-P299 VanDerWaalsContact O-CG 3.26Å; V176-P299 WeakPolarHBondContact O-CG 3.45Å; V176-L300 HydrophobicContact CG1-CD1 4.33Å | ||
| 177 | Q | 92.4 | Very high | 80.5 | Confident | 82 Ų | 82 | 76.7 Ų | 76.7 | 38% | 0.383 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 111.7 | 174.7 | -171.3 | 163.2 | 28.4 | 0 | 0 | 110.1 | F188 F228 L229 A230 | Q177-F188 VanDerWaalsContact NE2-CE1 3.34Å; Q177-F228 PolarHBondContact N-O 2.94Å; Q177-L229 CarbonylContact O-C 3.56Å; Q177-L229 VanDerWaalsContact O-CA 3.3Å; Q177-L229 WeakPolarHBondContact O-CA 3.32Å; Q177-A230 PolarHBondContact O-N 3.03Å |
| 178 | V | 93.9 | Very high | 81.2 | Confident | 52 Ų | 52 | 73 Ų | 73 | 32% | 0.315 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 128.3 | 174.9 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | F202 A230 P299 L300 | V178-F202 HydrophobicContact CG1-CE1 4.32Å; V178-F202 HydrophobicContact CG1-CZ 4.19Å; V178-A230 CarbonylContact C-O 3.56Å; V178-A230 WeakPolarHBondContact CA-O 3.47Å; V178-A230 HydrophobicContact CG2-CB 4.48Å; V178-P299 HydrophobicContact CG2-CB 3.94Å; V178-P299 HydrophobicContact CG2-CG 3.99Å; V178-L300 HydrophobicContact CG2-CD2 3.88Å; V178-L300 HydrophobicContact CG2-CG 4.42Å |
| 179 | L | 92.6 | Very high | 82 | Confident | 7 Ų | 7 | 70.8 Ų | 70.8 | 4% | 0.037 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 132.6 | 179.5 | -81.3 | 70.2 | 0 | 0 | 0 | 111 | L185 F188 L229 A230 L231 | L179-L185 HydrophobicContact CD2-CB 4.04Å; L179-L185 HydrophobicContact CD2-CD1 3.92Å; L179-F188 HydrophobicContact CD2-CD2 3.96Å; L179-F188 HydrophobicContact CD2-CE2 4.27Å; L179-F188 HydrophobicContact CG-CD2 4.26Å; L179-F188 HydrophobicContact CG-CE2 4.21Å; L179-L229 HydrophobicContact CD1-CB 4.01Å; L179-L229 HydrophobicContact CD1-CD2 4.1Å; L179-A230 PolarHBondContact N-O 2.99Å; L179-L231 HydrophobicContact CB-CB 4.24Å |
| 180 | N | 90.5 | Very high | 83.1 | Confident | 100 Ų | 100 | 67.8 Ų | 67.8 | 54% | 0.535 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 164.9 | 173.2 | -67.9 | -32.7 | 0 | 0 | 0 | 111.7 | S182 Q183 H236 | N180-S182 PolarHBondContact O-N 2.95Å; N180-Q183 HydrophobicContact CB-CG 4.43Å; N180-Q183 PolarHBondContact O-N 2.02Å; N180-H236 PolarHBondContact O-CE1 2.97Å; N180-H236 PolarHBondContact O-NE2 3.05Å |
| 181 | A | 85.3 | Confident | 84.2 | Confident | 65 Ų | 65 | 67.6 Ų | 67.6 | 54% | 0.537 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -31.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H236 | A181-H236 PolarHBondContact O-CE1 3.32Š|
| 182 | S | 86.7 | Confident | 85 | Confident | 113 Ų | 113 | 71.7 Ų | 71.7 | 79% | 0.79 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -0 | -176.6 | 56.6 | 0 | 0 | 0 | 0 | 114.7 | N180 | N180-S182 PolarHBondContact O-N 2.95Š|
| 183 | Q | 89.6 | Confident | 86.1 | Confident | 61 Ų | 61 | 63.7 Ų | 63.7 | 29% | 0.285 | 37% | 0.371 | S | S | . | . | trans | -107.6 | 127.2 | -174 | -77.9 | 172.6 | -25.6 | 0 | 0 | 110.6 | N180 F188 H236 | N180-Q183 HydrophobicContact CB-CG 4.43Å; N180-Q183 PolarHBondContact O-N 2.02Å; Q183-F188 HydrophobicContact CB-CE2 4.07Å; Q183-F188 HydrophobicContact CG-CE2 4.27Å; Q183-H236 PolarHBondContact O-CE1 2.9Å | ||
| 184 | D | 86.5 | Confident | 87 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 34% | 0.342 | 37% | 0.366 | S | S | . | . | trans | -81.8 | 135.5 | 170.4 | -166 | -16.8 | 0 | 0 | 0 | 109.9 | M186 D187 F188 | D184-M186 PolarHBondContact O-N 3.36Å; D184-M186 WeakPolarHBondContact OD1-CG 3.35Å; D184-M186 PolarHBondContact OD1-N 3.14Å; D184-D187 PolarHBondContact O-N 3.43Å; D184-F188 WeakPolarHBondContact O-CD2 3.5Å | ||
| 185 | L | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.8 | -32.6 | 169.6 | -178.6 | 68.8 | 0 | 0 | 0 | 111.9 | L179 D187 F188 L189 V199 F201 L229 L231 L239 F243 F254 | L179-L185 HydrophobicContact CD2-CB 4.04Å; L179-L185 HydrophobicContact CD2-CD1 3.92Å; L185-D187 PolarHBondContact O-N 2.84Å; L185-F188 PolarHBondContact O-N 2.82Å; L185-L189 HydrophobicContact CD1-CD1 4.19Å; L185-L189 HydrophobicContact CD1-CG 4.13Å; L185-L189 HydrophobicContact CD2-CD1 3.83Å; L185-L189 HydrophobicContact CG-CD1 3.65Å; L185-L189 HydrophobicContact CG-CG 3.96Å; L185-L189 WeakPolarHBondContact O-CB 3.44Å; L185-L189 WeakPolarHBondContact O-CG 3.49Å; L185-L189 PolarHBondContact O-N 3.12Å; L185-V199 HydrophobicContact CD1-CG1 3.94Å; L185-V199 HydrophobicContact CD1-CG2 3.98Å; L185-V199 HydrophobicContact CD2-CG1 3.96Å; L185-V199 HydrophobicContact CD2-CG2 4.38Å; L185-F201 HydrophobicContact CD2-CZ 4.46Å; L185-L229 HydrophobicContact CD1-CB 4.49Å; L185-L229 HydrophobicContact CD1-CD2 4.05Å; L185-L231 HydrophobicContact CB-CD2 4.47Å; L185-L231 HydrophobicContact CD1-CD2 4.14Å; L185-L231 HydrophobicContact CD2-CD2 3.8Å; L185-L231 HydrophobicContact CG-CD2 4.35Å; L185-L239 HydrophobicContact CB-CD1 3.67Å; L185-F243 HydrophobicContact CD2-CE2 3.97Å; L185-F254 HydrophobicContact CD2-CZ 4.42Å |
| 186 | M | 89.1 | Confident | 87.6 | Confident | 37 Ų | 37 | 59 Ų | 59 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.4 | -31.3 | 178.3 | -66.5 | -74.8 | 114.1 | 0 | 0 | 113.2 | D184 F188 L189 R242 F243 | D184-M186 PolarHBondContact O-N 3.36Å; D184-M186 WeakPolarHBondContact OD1-CG 3.35Å; D184-M186 PolarHBondContact OD1-N 3.14Å; M186-F188 VanDerWaalsContact C-N 3.33Å; M186-L189 CarbonylContact O-C 3.5Å; M186-R242 PolarHBondContact SD-NH1 3.27Å; M186-R242 PolarHBondContact SD-NH2 2.87Å; M186-R242 VanDerWaalsContact SD-NH2 3.36Å; M186-F243 HydrophobicContact CE-CE2 4.1Å; M186-F243 HydrophobicContact CE-CZ 3.52Å |
| 187 | D | 87.8 | Confident | 87.7 | Confident | 133 Ų | 133 | 59.2 Ų | 59.2 | 71% | 0.711 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -72.5 | -30.1 | -179.6 | -64.1 | -29.2 | 0 | 0 | 0 | 111.7 | D184 L185 | D184-D187 PolarHBondContact O-N 3.43Å; L185-D187 PolarHBondContact O-N 2.84Å |
| 188 | F | 86.8 | Confident | 87.8 | Confident | 67 Ų | 67 | 55.4 Ų | 55.4 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -84.6 | -34 | 173.9 | -64.5 | -87.5 | 0 | 0 | 0 | 112.4 | Q177 L179 Q183 D184 L185 M186 N190 L229 | Q177-F188 VanDerWaalsContact NE2-CE1 3.34Å; L179-F188 HydrophobicContact CD2-CD2 3.96Å; L179-F188 HydrophobicContact CD2-CE2 4.27Å; L179-F188 HydrophobicContact CG-CD2 4.26Å; L179-F188 HydrophobicContact CG-CE2 4.21Å; Q183-F188 HydrophobicContact CB-CE2 4.07Å; Q183-F188 HydrophobicContact CG-CE2 4.27Å; D184-F188 WeakPolarHBondContact O-CD2 3.5Å; L185-F188 PolarHBondContact O-N 2.82Å; M186-F188 VanDerWaalsContact C-N 3.33Å; F188-N190 VanDerWaalsContact C-N 3.34Å; F188-N190 PolarHBondContact O-N 3.34Å; F188-N190 VanDerWaalsContact O-N 3.1Å; F188-L229 HydrophobicContact CB-CD2 3.6Å; F188-L229 HydrophobicContact CG-CD2 4.19Å |
| 189 | L | 86.9 | Confident | 87.9 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -83.1 | 76.8 | 175.1 | -66 | -175.8 | 0 | 0 | 0 | 110.6 | L185 M186 A191 V199 F254 | L185-L189 HydrophobicContact CD1-CD1 4.19Å; L185-L189 HydrophobicContact CD1-CG 4.13Å; L185-L189 HydrophobicContact CD2-CD1 3.83Å; L185-L189 HydrophobicContact CG-CD1 3.65Å; L185-L189 HydrophobicContact CG-CG 3.96Å; L185-L189 WeakPolarHBondContact O-CB 3.44Å; L185-L189 WeakPolarHBondContact O-CG 3.49Å; L185-L189 PolarHBondContact O-N 3.12Å; M186-L189 CarbonylContact O-C 3.5Å; L189-A191 PolarHBondContact O-N 3.25Å; L189-V199 HydrophobicContact CD2-CG2 4.34Å; L189-F254 HydrophobicContact CD1-CB 4.31Å; L189-F254 HydrophobicContact CD1-CD1 3.5Å; L189-F254 VanDerWaalsContact CD1-CD1 3.5Å; L189-F254 HydrophobicContact CD1-CD2 4.23Å; L189-F254 HydrophobicContact CD1-CE1 3.72Å; L189-F254 HydrophobicContact CD1-CE2 4.41Å; L189-F254 HydrophobicContact CD1-CG 3.77Å; L189-F254 HydrophobicContact CD1-CZ 4.18Å; L189-F254 HydrophobicContact CD2-CB 4.1Å; L189-F254 HydrophobicContact CD2-CG 4.36Å |
| 190 | N | 80.7 | Confident | 88.1 | Confident | 79 Ų | 79 | 52.7 Ų | 52.7 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | trans | -49.1 | 110.1 | 178.9 | 179.4 | 0.4 | 0 | 0 | 0 | 111.4 | F188 N192 S193 G256 | F188-N190 VanDerWaalsContact C-N 3.34Å; F188-N190 PolarHBondContact O-N 3.34Å; F188-N190 VanDerWaalsContact O-N 3.1Å; N190-N192 PolarHBondContact O-N 3.21Å; N190-N192 VanDerWaalsContact O-N 3.12Å; N190-N192 PolarHBondContact OD1-N 3.04Å; N190-S193 PolarHBondContact O-N 2.93Å; N190-S193 VanDerWaalsContact O-N 3.08Å; N190-S193 PolarHBondContact O-OG 3.07Å; N190-G256 VanDerWaalsContact O-CA 3.3Å; N190-G256 WeakPolarHBondContact O-CA 3.47Å | ||
| 191 | A | 79.4 | Confident | 88.4 | Confident | 76 Ų | 76 | 47.9 Ų | 47.9 | 63% | 0.628 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -19.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L189 A257 | L189-A191 PolarHBondContact O-N 3.25Å; A191-A257 HydrophobicContact CB-CB 3.83Å |
| 192 | N | 79.5 | Confident | 88.9 | Confident | 155 Ų | 155 | 46.2 Ų | 46.2 | 83% | 0.829 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -6.4 | 178.9 | -64.9 | -24.1 | 0 | 0 | 0 | 113.3 | N190 | N190-N192 PolarHBondContact O-N 3.21Å; N190-N192 VanDerWaalsContact O-N 3.12Å; N190-N192 PolarHBondContact OD1-N 3.04Å |
| 193 | S | 82.1 | Confident | 89.3 | Confident | 23 Ų | 23 | 41 Ų | 41 | 16% | 0.161 | 23% | 0.226 | C | C | . | . | trans | -92.9 | 151.2 | 174.7 | 82 | 0 | 0 | 0 | 0 | 112.4 | N190 E195 G256 | N190-S193 PolarHBondContact O-N 2.93Å; N190-S193 VanDerWaalsContact O-N 3.08Å; N190-S193 PolarHBondContact O-OG 3.07Å; S193-E195 VanDerWaalsContact C-N 3.34Å; S193-E195 WeakPolarHBondContact CB-OE2 3.38Å; S193-E195 PolarHBondContact OG-OE2 2.82Å; S193-E195 VanDerWaalsContact OG-OE2 3.06Å; S193-G256 WeakPolarHBondContact O-CA 3.41Å; S193-G256 PolarHBondContact O-N 3.32Å | ||
| 194 | T | 86.4 | Confident | 89.4 | Confident | 64 Ų | 64 | 39.9 Ų | 39.9 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | trans | -97.9 | 10.6 | 173 | 17.7 | 0 | 0 | 0 | 0 | 111.7 | D164 | D164-T194 PolarHBondContact N-O 3.29Å; D164-T194 VanDerWaalsContact OD2-CB 3.24Å; D164-T194 WeakPolarHBondContact OD2-CB 3.02Å; D164-T194 PolarHBondContact OD2-OG1 3.48Å | ||
| 195 | E | 89.3 | Confident | 89.7 | Confident | 55 Ų | 55 | 44.5 Ų | 44.5 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | B | Isolated β-bridge | trans | -69 | 144.1 | 175.8 | -63.7 | 170.7 | 125.5 | 0 | 0 | 110.7 | S193 G256 | S193-E195 VanDerWaalsContact C-N 3.34Å; S193-E195 WeakPolarHBondContact CB-OE2 3.38Å; S193-E195 PolarHBondContact OG-OE2 2.82Å; S193-E195 VanDerWaalsContact OG-OE2 3.06Å; E195-G256 PolarHBondContact O-N 2.96Å |
| 196 | C | 92.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.4 | 179.1 | -74.3 | 0 | 0 | 0 | 0 | 112.9 | C163 M226 H227 L253 F254 | C163-C196 HydrophobicContact CB-CB 3.61Å; C163-C196 WeakPolarHBondContact CB-SG 3.3Å; C163-C196 WeakPolarHBondContact SG-CB 3.37Å; C163-C196 CovalentContact SG-SG 2.02Å; C163-C196 PolarHBondContact SG-SG 3.28Å; C196-M226 HydrophobicContact CB-CG 4.36Å; C196-M226 HydrophobicContact CB-SD 4.24Å; C196-M226 WeakPolarHBondContact O-CG 3.49Å; C196-H227 PolarHBondContact O-N 3.17Å; C196-L253 HydrophobicContact CB-CD1 4.3Å; C196-F254 VanDerWaalsContact CA-O 3.26Å; C196-F254 WeakPolarHBondContact CA-O 3.32Å |
| 197 | S | 93.4 | Very high | 90.1 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 131.5 | -174.6 | -65.1 | 0 | 0 | 0 | 0 | 109.9 | H227 F254 | S197-H227 CarbonylContact C-O 3.53Å; S197-H227 WeakPolarHBondContact CA-O 3.4Å; S197-F254 PolarHBondContact N-O 3.43Å; S197-F254 PolarHBondContact O-N 3.11Å |
| 198 | V | 95.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.2 | 173.7 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | F216 H227 F228 L229 I251 L253 I277 | V198-F216 HydrophobicContact CG1-CE2 3.84Å; V198-F216 HydrophobicContact CG1-CZ 4.13Å; V198-H227 PolarHBondContact N-O 3.48Å; V198-F228 HydrophobicContact CB-CD1 3.72Å; V198-F228 HydrophobicContact CB-CE1 3.69Å; V198-F228 HydrophobicContact CG1-CD1 4.23Å; V198-F228 HydrophobicContact CG1-CE1 4.21Å; V198-F228 HydrophobicContact CG2-CD1 4.3Å; V198-F228 HydrophobicContact CG2-CE1 3.76Å; V198-F228 HydrophobicContact CG2-CZ 4.37Å; V198-F228 WeakPolarHBondContact O-CA 3.21Å; V198-L229 PolarHBondContact O-N 2.9Å; V198-I251 HydrophobicContact CG1-CG2 3.5Å; V198-L253 HydrophobicContact CG2-CD1 3.89Å; V198-I277 HydrophobicContact CG2-CD1 4.09Å; V198-I277 HydrophobicContact CG2-CG1 4.19Å |
| 199 | V | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.2 | -176.3 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | L185 L189 F201 L229 L231 I251 L252 F254 | L185-V199 HydrophobicContact CD1-CG1 3.94Å; L185-V199 HydrophobicContact CD1-CG2 3.98Å; L185-V199 HydrophobicContact CD2-CG1 3.96Å; L185-V199 HydrophobicContact CD2-CG2 4.38Å; L189-V199 HydrophobicContact CD2-CG2 4.34Å; V199-F201 HydrophobicContact CB-CE2 4.34Å; V199-F201 HydrophobicContact CG1-CD2 4.14Å; V199-F201 HydrophobicContact CG1-CE2 3.69Å; V199-F201 HydrophobicContact CG1-CZ 4.38Å; V199-L229 CarbonylContact C-O 3.34Å; V199-L229 WeakPolarHBondContact CA-O 3.23Å; V199-L229 HydrophobicContact CG2-CB 4.35Å; V199-L229 HydrophobicContact CG2-CD1 4.16Å; V199-L231 HydrophobicContact CG1-CD2 3.54Å; V199-I251 WeakPolarHBondContact O-CA 3.41Å; V199-L252 PolarHBondContact N-O 3.07Å; V199-L252 PolarHBondContact O-N 3.11Å; V199-F254 HydrophobicContact CB-CD2 3.95Å; V199-F254 HydrophobicContact CB-CE2 3.8Å; V199-F254 HydrophobicContact CG1-CE2 4.49Å; V199-F254 HydrophobicContact CG2-CD2 3.44Å; V199-F254 VanDerWaalsContact CG2-CD2 3.44Å; V199-F254 HydrophobicContact CG2-CE2 3.66Å; V199-F254 HydrophobicContact CG2-CG 4.37Å |
| 200 | L | 96.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 118.9 | 172.4 | 168.1 | 59.7 | 0 | 0 | 0 | 110.6 | F202 L212 F216 L229 A230 L231 P249 I251 L300 | L200-F202 HydrophobicContact CD1-CB 4.32Å; L200-F202 HydrophobicContact CD2-CB 4.36Å; L200-F202 HydrophobicContact CG-CB 4.09Å; L200-L212 HydrophobicContact CD1-CD2 3.59Å; L200-L212 HydrophobicContact CD2-CD2 4.03Å; L200-L212 HydrophobicContact CG-CD2 4.49Å; L200-F216 HydrophobicContact CB-CD1 4.13Å; L200-F216 HydrophobicContact CB-CD2 4.17Å; L200-F216 HydrophobicContact CB-CE1 3.68Å; L200-F216 HydrophobicContact CB-CE2 3.74Å; L200-F216 HydrophobicContact CB-CG 4.36Å; L200-F216 HydrophobicContact CB-CZ 3.48Å; L200-F216 VanDerWaalsContact CB-CZ 3.48Å; L200-F216 HydrophobicContact CD2-CB 4.08Å; L200-F216 HydrophobicContact CD2-CD1 3.71Å; L200-F216 HydrophobicContact CD2-CD2 4.08Å; L200-F216 HydrophobicContact CD2-CE1 4.14Å; L200-F216 HydrophobicContact CD2-CE2 4.49Å; L200-F216 HydrophobicContact CD2-CG 3.67Å; L200-L229 PolarHBondContact N-O 3.2Å; L200-A230 HydrophobicContact CB-CB 4.28Å; L200-A230 CarbonylContact O-C 3.58Å; L200-A230 VanDerWaalsContact O-CA 3.32Å; L200-A230 WeakPolarHBondContact O-CA 3.42Å; L200-L231 PolarHBondContact O-N 3.18Å; L200-P249 HydrophobicContact CD1-CB 3.81Å; L200-I251 HydrophobicContact CD1-CG1 3.9Å; L200-L300 HydrophobicContact CD2-CD1 3.74Å |
| 201 | F | 96.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 112.1 | 165.2 | -65.2 | -112.1 | 0 | 0 | 0 | 107.7 | L185 V199 L231 A233 F243 T245 V248 P249 N250 L252 | L185-F201 HydrophobicContact CD2-CZ 4.46Å; V199-F201 HydrophobicContact CB-CE2 4.34Å; V199-F201 HydrophobicContact CG1-CD2 4.14Å; V199-F201 HydrophobicContact CG1-CE2 3.69Å; V199-F201 HydrophobicContact CG1-CZ 4.38Å; F201-L231 HydrophobicContact CD1-CD1 3.64Å; F201-L231 HydrophobicContact CD1-CD2 4.24Å; F201-L231 HydrophobicContact CD1-CG 4.15Å; F201-L231 HydrophobicContact CE1-CD1 3.84Å; F201-L231 HydrophobicContact CE1-CD2 3.93Å; F201-L231 HydrophobicContact CE1-CG 4.31Å; F201-L231 HydrophobicContact CE2-CD2 4.19Å; F201-L231 HydrophobicContact CG-CD1 4.28Å; F201-L231 HydrophobicContact CG-CD2 4.5Å; F201-L231 HydrophobicContact CG-CG 4.36Å; F201-L231 HydrophobicContact CZ-CD2 3.89Å; F201-A233 HydrophobicContact CB-CB 4.48Å; F201-F243 HydrophobicContact CE1-CD2 4.23Å; F201-F243 HydrophobicContact CZ-CB 4.18Å; F201-F243 AromaticContact CZ-CD2 3.67Å; F201-F243 HydrophobicContact CZ-CD2 3.67Å; F201-F243 HydrophobicContact CZ-CE2 4.44Å; F201-F243 HydrophobicContact CZ-CG 4.22Å; F201-T245 HydrophobicContact CB-CG2 3.77Å; F201-T245 HydrophobicContact CD1-CG2 3.93Å; F201-T245 HydrophobicContact CG-CG2 3.99Å; F201-V248 HydrophobicContact CB-CG1 4.49Å; F201-P249 WeakPolarHBondContact O-CA 3.19Å; F201-N250 HydrophobicContact CB-CB 4.34Å; F201-N250 PolarHBondContact N-O 3.13Å; F201-N250 PolarHBondContact O-N 3.02Å; F201-L252 HydrophobicContact CD2-CD1 4.38Å; F201-L252 HydrophobicContact CE2-CD1 3.7Å; F201-L252 HydrophobicContact CE2-CG 4.2Å; F201-L252 HydrophobicContact CZ-CD1 4.23Å |
| 202 | F | 95.7 | Very high | 92.6 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 13% | 0.127 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 174.6 | -179.5 | 78.4 | -78.6 | 0 | 0 | 0 | 111 | V178 L200 A230 L231 D232 A233 L300 | V178-F202 HydrophobicContact CG1-CE1 4.32Å; V178-F202 HydrophobicContact CG1-CZ 4.19Å; L200-F202 HydrophobicContact CD1-CB 4.32Å; L200-F202 HydrophobicContact CD2-CB 4.36Å; L200-F202 HydrophobicContact CG-CB 4.09Å; F202-A230 HydrophobicContact CD1-CB 3.99Å; F202-A230 HydrophobicContact CE1-CB 3.86Å; F202-L231 WeakPolarHBondContact CD1-O 3.32Å; F202-L231 VanDerWaalsContact CE1-C 3.49Å; F202-L231 PolarHBondContact N-O 3.25Å; F202-D232 CarbonylContact O-C 3.53Å; F202-D232 WeakPolarHBondContact O-CA 3.28Å; F202-A233 PolarHBondContact O-N 2.77Å; F202-L300 HydrophobicContact CD1-CD2 4.13Å; F202-L300 HydrophobicContact CD2-CD2 4.4Å; F202-L300 HydrophobicContact CE1-CD2 3.72Å; F202-L300 HydrophobicContact CE2-CD2 4.02Å; F202-L300 HydrophobicContact CG-CD2 4.47Å; F202-L300 HydrophobicContact CZ-CD2 3.67Å |
| 203 | T | 94.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | trans | -137.2 | 143.9 | 160.3 | 61.7 | 0 | 0 | 0 | 0 | 109.6 | W205 C206 S209 A233 V248 | T203-W205 HydrophobicContact CG2-CH2 4.38Å; T203-W205 HydrophobicContact CG2-CZ2 3.71Å; T203-W205 PolarHBondContact O-N 3.39Å; T203-C206 PolarHBondContact O-N 3.33Å; T203-C206 WeakPolarHBondContact OG1-CB 3.46Å; T203-S209 PolarHBondContact N-OG 3.12Å; T203-A233 HydrophobicContact CG2-CB 4.16Å; T203-V248 HydrophobicContact CG2-CG1 4.38Å; T203-V248 HydrophobicContact CG2-CG2 4.02Å | ||
| 204 | A | 92.3 | Very high | 93.9 | Very high | 37 Ų | 37 | 37.9 Ų | 37.9 | 31% | 0.306 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P304 V305 | A204-P304 CarbonylContact O-C 3.52Å; A204-P304 VanDerWaalsContact O-CA 3.31Å; A204-P304 WeakPolarHBondContact O-CA 3.37Å; A204-V305 HydrophobicContact CB-CB 4.24Å; A204-V305 HydrophobicContact CB-CG2 3.95Å; A204-V305 PolarHBondContact O-N 3Å |
| 205 | W | 91.8 | Very high | 94.3 | Very high | 161 Ų | 161 | 37.6 Ų | 37.6 | 61% | 0.61 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -5 | -178 | 45.5 | -95.7 | 0 | 0 | 0 | 114.1 | T203 V305 | T203-W205 HydrophobicContact CG2-CH2 4.38Å; T203-W205 HydrophobicContact CG2-CZ2 3.71Å; T203-W205 PolarHBondContact O-N 3.39Å; W205-V305 WeakPolarHBondContact CA-O 3.34Å |
| 206 | C | 94.1 | Very high | 94.6 | Very high | 15 Ų | 15 | 35 Ų | 35 | 10% | 0.101 | 17% | 0.166 | C | C | . | . | trans | -89.6 | 119.9 | -177.9 | 172.8 | 0 | 0 | 0 | 0 | 112.4 | T203 F208 S209 A210 V248 | T203-C206 PolarHBondContact O-N 3.33Å; T203-C206 WeakPolarHBondContact OG1-CB 3.46Å; C206-F208 VanDerWaalsContact C-N 3.3Å; C206-F208 PolarHBondContact O-N 3.2Å; C206-S209 WeakPolarHBondContact O-CB 3.48Å; C206-S209 PolarHBondContact O-N 2.87Å; C206-S209 VanDerWaalsContact O-N 3.1Å; C206-A210 PolarHBondContact O-N 3.48Å; C206-V248 HydrophobicContact CB-CG2 4.21Å | ||
| 207 | Q | 94.4 | Very high | 94.7 | Very high | 109 Ų | 109 | 35.2 Ų | 35.2 | 51% | 0.509 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.5 | -35.9 | 178.7 | -165 | -169.3 | 26.5 | 0 | 0 | 113.2 | S209 A210 K211 | Q207-S209 VanDerWaalsContact C-N 3.34Å; Q207-A210 PolarHBondContact O-N 3.05Å; Q207-K211 WeakPolarHBondContact O-CG 3.36Å; Q207-K211 PolarHBondContact O-N 3.36Å |
| 208 | F | 93.9 | Very high | 94.7 | Very high | 135 Ų | 135 | 34.9 Ų | 34.9 | 59% | 0.592 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -68.5 | -34.7 | 177.2 | -57.9 | -73.5 | 0 | 0 | 0 | 112.2 | C206 L212 P249 | C206-F208 VanDerWaalsContact C-N 3.3Å; C206-F208 PolarHBondContact O-N 3.2Å; F208-L212 PolarHBondContact O-N 3.13Å; F208-P249 HydrophobicContact CB-CG 4.41Å |
| 209 | S | 95.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.9 | -45.5 | 173.8 | -64.1 | 0 | 0 | 0 | 0 | 110.9 | T203 C206 Q207 K211 L212 A213 | T203-S209 PolarHBondContact N-OG 3.12Å; C206-S209 WeakPolarHBondContact O-CB 3.48Å; C206-S209 PolarHBondContact O-N 2.87Å; C206-S209 VanDerWaalsContact O-N 3.1Å; Q207-S209 VanDerWaalsContact C-N 3.34Å; S209-K211 VanDerWaalsContact C-N 3.35Å; S209-K211 PolarHBondContact O-N 2.93Å; S209-L212 PolarHBondContact O-N 2.84Å; S209-L212 VanDerWaalsContact O-N 3.12Å; S209-A213 PolarHBondContact O-N 3.31Å |
| 210 | A | 94.5 | Very high | 94.3 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 5% | 0.05 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C206 Q207 L212 A213 P214 S302 P304 | C206-A210 PolarHBondContact O-N 3.48Å; Q207-A210 PolarHBondContact O-N 3.05Å; A210-L212 VanDerWaalsContact C-N 3.34Å; A210-L212 PolarHBondContact O-N 2.83Å; A210-A213 WeakPolarHBondContact O-CB 3.36Å; A210-A213 PolarHBondContact O-N 3.22Å; A210-P214 WeakPolarHBondContact O-CD 3.45Å; A210-S302 WeakPolarHBondContact CB-O 3.35Å; A210-S302 WeakPolarHBondContact O-CA 3.43Å; A210-P304 HydrophobicContact CB-CB 4.25Å; A210-P304 HydrophobicContact CB-CG 4.48Å |
| 211 | K | 94.5 | Very high | 94 | Very high | 128 Ų | 128 | 39.5 Ų | 39.5 | 56% | 0.557 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -64.7 | -32.4 | 173.9 | -74.4 | 177.3 | 177.7 | 179.8 | 0 | 113.8 | Q207 S209 | Q207-K211 WeakPolarHBondContact O-CG 3.36Å; Q207-K211 PolarHBondContact O-N 3.36Å; S209-K211 VanDerWaalsContact C-N 3.35Å; S209-K211 PolarHBondContact O-N 2.93Å |
| 212 | L | 95.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -77.5 | -33.3 | 176.9 | 165.7 | 67.1 | 0 | 0 | 0 | 112.7 | L200 F208 S209 A210 H215 F216 P249 I251 R268 L273 | L200-L212 HydrophobicContact CD1-CD2 3.59Å; L200-L212 HydrophobicContact CD2-CD2 4.03Å; L200-L212 HydrophobicContact CG-CD2 4.49Å; F208-L212 PolarHBondContact O-N 3.13Å; S209-L212 PolarHBondContact O-N 2.84Å; S209-L212 VanDerWaalsContact O-N 3.12Å; A210-L212 VanDerWaalsContact C-N 3.34Å; A210-L212 PolarHBondContact O-N 2.83Å; L212-H215 HydrophobicContact CD1-CB 4.42Å; L212-H215 WeakPolarHBondContact O-CB 3.47Å; L212-H215 PolarHBondContact O-N 3.02Å; L212-F216 HydrophobicContact CD1-CB 4.36Å; L212-F216 HydrophobicContact CG-CB 4.36Å; L212-F216 PolarHBondContact O-N 2.83Å; L212-P249 HydrophobicContact CB-CG 4.32Å; L212-P249 HydrophobicContact CD2-CB 3.51Å; L212-P249 HydrophobicContact CD2-CG 3.83Å; L212-I251 HydrophobicContact CD1-CD1 4.3Å; L212-I251 HydrophobicContact CD2-CD1 3.95Å; L212-I251 HydrophobicContact CD2-CG1 4.34Å; L212-R268 HydrophobicContact CD1-CB 3.96Å; L212-L273 HydrophobicContact CD1-CD1 3.71Å |
| 213 | A | 95.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -41.8 | -52.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S209 A210 H215 F216 N217 L300 S301 | S209-A213 PolarHBondContact O-N 3.31Å; A210-A213 WeakPolarHBondContact O-CB 3.36Å; A210-A213 PolarHBondContact O-N 3.22Å; A213-H215 VanDerWaalsContact C-N 3.29Å; A213-H215 PolarHBondContact O-N 2.88Å; A213-F216 PolarHBondContact O-N 2.92Å; A213-N217 WeakPolarHBondContact O-CB 3.44Å; A213-N217 PolarHBondContact O-N 2.92Å; A213-N217 PolarHBondContact O-ND2 2.96Å; A213-L300 HydrophobicContact CB-CB 3.65Å; A213-S301 VanDerWaalsContact CB-O 3.28Å; A213-S301 WeakPolarHBondContact CB-O 3.3Å |
| 214 | P | 94.8 | Very high | 93.1 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 20% | 0.195 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -27.5 | -179.3 | 25.7 | -35.7 | 0 | 0 | 0 | 114.2 | A210 R296 | A210-P214 WeakPolarHBondContact O-CD 3.45Å; P214-R296 HydrophobicContact CB-CB 4.02Å |
| 215 | H | 94.4 | Very high | 92.8 | Very high | 57 Ų | 57 | 39.2 Ų | 39.2 | 26% | 0.264 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -76.9 | -37.6 | 173.9 | -63 | -54.3 | 0 | 0 | 0 | 111.7 | L212 A213 R268 L270 L273 | L212-H215 HydrophobicContact CD1-CB 4.42Å; L212-H215 WeakPolarHBondContact O-CB 3.47Å; L212-H215 PolarHBondContact O-N 3.02Å; A213-H215 VanDerWaalsContact C-N 3.29Å; A213-H215 PolarHBondContact O-N 2.88Å; H215-R268 PolarHBondContact CD2-O 2.85Å; H215-R268 VanDerWaalsContact CD2-O 3.28Å; H215-L270 HydrophobicContact CB-CB 4.42Å; H215-L273 HydrophobicContact CB-CD1 4.12Å |
| 216 | F | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.1 | -39.2 | 178.1 | -162.2 | -97.6 | 0 | 0 | 0 | 112.2 | V176 V198 L200 L212 A213 A218 L219 F228 A230 I251 L300 | V176-F216 HydrophobicContact CG1-CD1 3.98Å; V176-F216 HydrophobicContact CG1-CE1 3.74Å; V176-F216 HydrophobicContact CG2-CD1 3.78Å; V176-F216 HydrophobicContact CG2-CE1 4.02Å; V176-F216 WeakPolarHBondContact CG2-O 3.26Å; V198-F216 HydrophobicContact CG1-CE2 3.84Å; V198-F216 HydrophobicContact CG1-CZ 4.13Å; L200-F216 HydrophobicContact CB-CD1 4.13Å; L200-F216 HydrophobicContact CB-CD2 4.17Å; L200-F216 HydrophobicContact CB-CE1 3.68Å; L200-F216 HydrophobicContact CB-CE2 3.74Å; L200-F216 HydrophobicContact CB-CG 4.36Å; L200-F216 HydrophobicContact CB-CZ 3.48Å; L200-F216 VanDerWaalsContact CB-CZ 3.48Å; L200-F216 HydrophobicContact CD2-CB 4.08Å; L200-F216 HydrophobicContact CD2-CD1 3.71Å; L200-F216 HydrophobicContact CD2-CD2 4.08Å; L200-F216 HydrophobicContact CD2-CE1 4.14Å; L200-F216 HydrophobicContact CD2-CE2 4.49Å; L200-F216 HydrophobicContact CD2-CG 3.67Å; L212-F216 HydrophobicContact CD1-CB 4.36Å; L212-F216 HydrophobicContact CG-CB 4.36Å; L212-F216 PolarHBondContact O-N 2.83Å; A213-F216 PolarHBondContact O-N 2.92Å; F216-A218 PolarHBondContact O-N 3.36Å; F216-L219 HydrophobicContact CD2-CD1 3.64Å; F216-L219 HydrophobicContact CE2-CD1 3.97Å; F216-L219 HydrophobicContact CG-CD1 4.33Å; F216-L219 PolarHBondContact O-N 2.84Å; F216-L219 VanDerWaalsContact O-N 3.12Å; F216-F228 HydrophobicContact CE1-CB 4.28Å; F216-F228 HydrophobicContact CE2-CD1 4.34Å; F216-F228 HydrophobicContact CZ-CB 4.4Å; F216-F228 HydrophobicContact CZ-CD1 4.04Å; F216-A230 HydrophobicContact CE1-CB 4.42Å; F216-I251 HydrophobicContact CD2-CD1 4.45Å; F216-I251 HydrophobicContact CE2-CG2 4.34Å; F216-L300 HydrophobicContact CB-CD1 4.29Å; F216-L300 HydrophobicContact CD1-CD1 3.71Å; F216-L300 HydrophobicContact CG-CD1 4.39Å |
| 217 | N | 94.8 | Very high | 92.5 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.2 | -32.8 | 174.8 | -74.9 | -26.5 | 0 | 0 | 0 | 113 | A213 P220 D295 R296 G298 L300 | A213-N217 WeakPolarHBondContact O-CB 3.44Å; A213-N217 PolarHBondContact O-N 2.92Å; A213-N217 PolarHBondContact O-ND2 2.96Å; N217-P220 WeakPolarHBondContact O-CD 3.26Å; N217-D295 CarbonylContact C-O 3.55Å; N217-D295 WeakPolarHBondContact CB-O 3.39Å; N217-R296 WeakPolarHBondContact CB-O 3.3Å; N217-R296 PolarHBondContact ND2-O 2.86Å; N217-G298 VanDerWaalsContact CG-CA 3.43Å; N217-G298 WeakPolarHBondContact ND2-CA 3.45Å; N217-G298 PolarHBondContact ND2-N 3.33Å; N217-L300 PolarHBondContact ND2-O 3.29Å; N217-L300 WeakPolarHBondContact OD1-CB 3.33Å; N217-L300 PolarHBondContact OD1-N 3.48Å |
| 218 | A | 92.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -17.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | F216 P220 R221 V222 L270 V291 | F216-A218 PolarHBondContact O-N 3.36Å; A218-P220 VanDerWaalsContact C-CD 3.49Å; A218-R221 WeakPolarHBondContact O-CB 3.36Å; A218-R221 PolarHBondContact O-N 2.83Å; A218-V222 PolarHBondContact O-N 3.46Å; A218-L270 HydrophobicContact CB-CD1 4.01Å; A218-L270 HydrophobicContact CB-CD2 4.36Å; A218-V291 HydrophobicContact CB-CG1 3.44Å; A218-V291 VanDerWaalsContact CB-CG1 3.44Å; A218-V291 HydrophobicContact CB-CG2 4.33Å |
| 219 | L | 92.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.1 | -38.6 | -176.7 | -71.6 | 171.1 | 0 | 0 | 0 | 115.5 | F216 R221 V222 F223 F228 L270 L273 I277 | F216-L219 HydrophobicContact CD2-CD1 3.64Å; F216-L219 HydrophobicContact CE2-CD1 3.97Å; F216-L219 HydrophobicContact CG-CD1 4.33Å; F216-L219 PolarHBondContact O-N 2.84Å; F216-L219 VanDerWaalsContact O-N 3.12Å; L219-R221 PolarHBondContact O-N 3.06Å; L219-V222 PolarHBondContact O-N 2.87Å; L219-F223 HydrophobicContact CD2-CD2 4.5Å; L219-F223 HydrophobicContact CD2-CE2 4.44Å; L219-F223 PolarHBondContact O-N 3.34Å; L219-F228 HydrophobicContact CB-CD1 3.74Å; L219-F228 HydrophobicContact CB-CE1 3.42Å; L219-F228 VanDerWaalsContact CB-CE1 3.42Å; L219-F228 HydrophobicContact CB-CE2 4.33Å; L219-F228 HydrophobicContact CB-CG 4.35Å; L219-F228 HydrophobicContact CB-CZ 3.75Å; L219-F228 HydrophobicContact CD1-CD1 4.15Å; L219-F228 HydrophobicContact CD1-CE1 3.83Å; L219-F228 HydrophobicContact CG-CE1 4.19Å; L219-L270 HydrophobicContact CD2-CD1 3.7Å; L219-L270 HydrophobicContact CG-CD1 4.16Å; L219-L273 HydrophobicContact CD1-CB 4.06Å; L219-L273 HydrophobicContact CD1-CD1 4.12Å; L219-L273 HydrophobicContact CD2-CB 3.88Å; L219-L273 HydrophobicContact CG-CB 4.49Å; L219-I277 HydrophobicContact CD1-CD1 4.31Å; L219-I277 HydrophobicContact CD2-CD1 4.07Å |
| 220 | P | 91.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 4% | 0.039 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -55.7 | -35.3 | 174.3 | -23.7 | 31.4 | 0 | 0 | 0 | 113.3 | F174 V176 N217 A218 V222 F223 P224 F228 | F174-P220 HydrophobicContact CB-CB 3.75Å; F174-P220 WeakPolarHBondContact O-CB 3.31Å; V176-P220 HydrophobicContact CG2-CG 3.71Å; N217-P220 WeakPolarHBondContact O-CD 3.26Å; A218-P220 VanDerWaalsContact C-CD 3.49Å; P220-V222 VanDerWaalsContact C-N 3.34Å; P220-F223 CarbonylContact O-C 3.3Å; P220-F223 VanDerWaalsContact O-C 3.3Å; P220-F223 PolarHBondContact O-N 3.49Å; P220-P224 WeakPolarHBondContact O-CA 3.44Å; P220-F228 HydrophobicContact CB-CD2 3.98Å; P220-F228 HydrophobicContact CG-CB 3.92Å; P220-F228 HydrophobicContact CG-CD2 3.75Å; P220-F228 HydrophobicContact CG-CG 3.93Å |
| 221 | R | 89.3 | Confident | 92.6 | Very high | 94 Ų | 94 | 21.2 Ų | 21.2 | 36% | 0.355 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -68.2 | -34.8 | 177.4 | -177.9 | 58.8 | 176.2 | -95.2 | 2.4 | 112.1 | A218 L219 D295 | A218-R221 WeakPolarHBondContact O-CB 3.36Å; A218-R221 PolarHBondContact O-N 2.83Å; L219-R221 PolarHBondContact O-N 3.06Å; R221-D295 IonicContact CZ-OD1 3.93Å; R221-D295 IonicContact CZ-OD2 3.99Å; R221-D295 IonicContact NH1-OD1 2.89Å; R221-D295 PolarHBondContact NH1-OD1 3.47Å; R221-D295 IonicContact NH1-OD2 3.32Å; R221-D295 PolarHBondContact NH1-OD2 3.22Å |
| 222 | V | 89.9 | Confident | 92.6 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.024 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -77 | -35.4 | 177.1 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | A218 L219 P220 L270 T274 A285 G286 V291 | A218-V222 PolarHBondContact O-N 3.46Å; L219-V222 PolarHBondContact O-N 2.87Å; P220-V222 VanDerWaalsContact C-N 3.34Å; V222-L270 HydrophobicContact CG2-CD1 4.28Å; V222-T274 HydrophobicContact CG1-CG2 4.16Å; V222-A285 HydrophobicContact CG1-CB 3.61Å; V222-G286 PolarHBondContact O-N 2.8Å; V222-V291 HydrophobicContact CG2-CG2 3.72Å |
| 223 | F | 90.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 0% | 0.004 | 9% | 0.085 | C | C | . | . | trans | -129.1 | 71.5 | -176.3 | -61.4 | -78.5 | 0 | 0 | 0 | 112.7 | L219 P220 S225 M226 F228 T274 I277 T278 F283 A285 | L219-F223 HydrophobicContact CD2-CD2 4.5Å; L219-F223 HydrophobicContact CD2-CE2 4.44Å; L219-F223 PolarHBondContact O-N 3.34Å; P220-F223 CarbonylContact O-C 3.3Å; P220-F223 VanDerWaalsContact O-C 3.3Å; P220-F223 PolarHBondContact O-N 3.49Å; F223-S225 PolarHBondContact O-N 3.1Å; F223-S225 VanDerWaalsContact O-N 3.1Å; F223-M226 HydrophobicContact CB-CE 3.55Å; F223-M226 HydrophobicContact CD1-CE 3.52Å; F223-M226 HydrophobicContact CD2-CE 4.46Å; F223-M226 HydrophobicContact CE1-CE 4.3Å; F223-M226 HydrophobicContact CG-CE 3.6Å; F223-M226 PolarHBondContact O-N 3.05Å; F223-F228 HydrophobicContact CB-CE2 3.91Å; F223-F228 HydrophobicContact CB-CZ 3.9Å; F223-F228 HydrophobicContact CD2-CZ 4.19Å; F223-F228 HydrophobicContact CG-CZ 4.45Å; F223-T274 HydrophobicContact CE2-CG2 3.91Å; F223-T274 HydrophobicContact CZ-CG2 3.68Å; F223-I277 HydrophobicContact CD1-CG2 4.01Å; F223-I277 HydrophobicContact CD2-CD1 4.03Å; F223-I277 HydrophobicContact CD2-CG2 4.11Å; F223-I277 HydrophobicContact CE1-CG2 3.74Å; F223-I277 HydrophobicContact CE2-CB 4.01Å; F223-I277 HydrophobicContact CE2-CD1 3.92Å; F223-I277 HydrophobicContact CE2-CG2 3.85Å; F223-I277 HydrophobicContact CG-CG2 4.17Å; F223-I277 HydrophobicContact CZ-CB 3.93Å; F223-I277 HydrophobicContact CZ-CG2 3.63Å; F223-T278 HydrophobicContact CE1-CG2 3.96Å; F223-T278 HydrophobicContact CZ-CG2 3.8Å; F223-F283 HydrophobicContact CD1-CB 4.47Å; F223-A285 HydrophobicContact CE1-CB 4.32Å; F223-A285 HydrophobicContact CZ-CB 4.36Å | ||
| 224 | P | 87.3 | Confident | 92.3 | Very high | 37 Ų | 37 | 19.1 Ų | 19.1 | 24% | 0.24 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -20.4 | -178.6 | 26 | -36 | 0 | 0 | 0 | 113.6 | V168 F174 P220 M226 | V168-P224 HydrophobicContact CG1-CB 4.28Å; V168-P224 HydrophobicContact CG2-CB 4.22Å; V168-P224 WeakPolarHBondContact CG2-O 3.46Å; F174-P224 HydrophobicContact CD1-CB 3.57Å; F174-P224 HydrophobicContact CD2-CB 4.37Å; F174-P224 HydrophobicContact CE1-CB 3.27Å; F174-P224 HydrophobicContact CE2-CB 4.12Å; F174-P224 HydrophobicContact CG-CB 4.13Å; F174-P224 HydrophobicContact CZ-CB 3.59Å; P220-P224 WeakPolarHBondContact O-CA 3.44Å; P224-M226 VanDerWaalsContact C-N 3.27Å; P224-M226 PolarHBondContact O-N 3.19Å |
| 225 | S | 86.4 | Confident | 92.2 | Very high | 23 Ų | 23 | 22.9 Ų | 22.9 | 16% | 0.161 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 8.4 | 179.7 | 63.1 | 0 | 0 | 0 | 0 | 115 | R166 F223 | R166-S225 VanDerWaalsContact CB-O 3.26Å; R166-S225 WeakPolarHBondContact CB-O 3.31Å; R166-S225 PolarHBondContact N-O 3.42Å; F223-S225 PolarHBondContact O-N 3.1Å; F223-S225 VanDerWaalsContact O-N 3.1Å |
| 226 | M | 89.1 | Confident | 92.1 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.025 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -130.8 | 159.2 | 178.4 | -82.1 | -178.2 | -76.1 | 0 | 0 | 111.8 | C196 F223 P224 F228 I277 T281 F283 | C196-M226 HydrophobicContact CB-CG 4.36Å; C196-M226 HydrophobicContact CB-SD 4.24Å; C196-M226 WeakPolarHBondContact O-CG 3.49Å; F223-M226 HydrophobicContact CB-CE 3.55Å; F223-M226 HydrophobicContact CD1-CE 3.52Å; F223-M226 HydrophobicContact CD2-CE 4.46Å; F223-M226 HydrophobicContact CE1-CE 4.3Å; F223-M226 HydrophobicContact CG-CE 3.6Å; F223-M226 PolarHBondContact O-N 3.05Å; P224-M226 VanDerWaalsContact C-N 3.27Å; P224-M226 PolarHBondContact O-N 3.19Å; M226-F228 HydrophobicContact CB-CE2 4.11Å; M226-F228 HydrophobicContact CB-CZ 4.45Å; M226-I277 HydrophobicContact CE-CG2 3.26Å; M226-I277 HydrophobicContact SD-CG2 4.06Å; M226-T281 HydrophobicContact SD-CG2 4.18Å; M226-F283 HydrophobicContact CE-CB 4.15Å; M226-F283 HydrophobicContact CE-CD2 3.46Å; M226-F283 VanDerWaalsContact CE-CD2 3.46Å; M226-F283 HydrophobicContact CE-CE2 4.27Å; M226-F283 HydrophobicContact CE-CG 4.27Å; M226-F283 HydrophobicContact CG-CD2 3.89Å; M226-F283 HydrophobicContact CG-CE2 3.73Å; M226-F283 HydrophobicContact SD-CD2 3.54Å; M226-F283 VanDerWaalsContact SD-CD2 3.54Å; M226-F283 HydrophobicContact SD-CE2 3.82Å |
| 227 | H | 90.9 | Very high | 91.8 | Very high | 38 Ų | 38 | 24.8 Ų | 24.8 | 18% | 0.176 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 137.8 | 171.1 | -69.5 | -113.3 | 0 | 0 | 0 | 110.7 | R166 C196 S197 V198 L229 | R166-H227 VanDerWaalsContact CD-NE2 3.32Å; R166-H227 WeakPolarHBondContact CD-NE2 3.18Å; R166-H227 PolarHBondContact NE-NE2 2.83Å; R166-H227 PolarHBondContact NH1-CE1 3.47Å; R166-H227 VanDerWaalsContact NH1-CE1 3.33Å; R166-H227 PolarHBondContact NH1-ND1 2.91Å; C196-H227 PolarHBondContact O-N 3.17Å; S197-H227 CarbonylContact C-O 3.53Å; S197-H227 WeakPolarHBondContact CA-O 3.4Å; V198-H227 PolarHBondContact N-O 3.48Å; H227-L229 HydrophobicContact CB-CD1 3.75Å |
| 228 | F | 94.1 | Very high | 91.6 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.035 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 116.6 | 170.3 | -67.8 | -88 | 0 | 0 | 0 | 108.7 | V176 Q177 V198 F216 L219 P220 F223 M226 I277 | V176-F228 HydrophobicContact CG2-CB 4.12Å; Q177-F228 PolarHBondContact N-O 2.94Å; V198-F228 HydrophobicContact CB-CD1 3.72Å; V198-F228 HydrophobicContact CB-CE1 3.69Å; V198-F228 HydrophobicContact CG1-CD1 4.23Å; V198-F228 HydrophobicContact CG1-CE1 4.21Å; V198-F228 HydrophobicContact CG2-CD1 4.3Å; V198-F228 HydrophobicContact CG2-CE1 3.76Å; V198-F228 HydrophobicContact CG2-CZ 4.37Å; V198-F228 WeakPolarHBondContact O-CA 3.21Å; F216-F228 HydrophobicContact CE1-CB 4.28Å; F216-F228 HydrophobicContact CE2-CD1 4.34Å; F216-F228 HydrophobicContact CZ-CB 4.4Å; F216-F228 HydrophobicContact CZ-CD1 4.04Å; L219-F228 HydrophobicContact CB-CD1 3.74Å; L219-F228 HydrophobicContact CB-CE1 3.42Å; L219-F228 VanDerWaalsContact CB-CE1 3.42Å; L219-F228 HydrophobicContact CB-CE2 4.33Å; L219-F228 HydrophobicContact CB-CG 4.35Å; L219-F228 HydrophobicContact CB-CZ 3.75Å; L219-F228 HydrophobicContact CD1-CD1 4.15Å; L219-F228 HydrophobicContact CD1-CE1 3.83Å; L219-F228 HydrophobicContact CG-CE1 4.19Å; P220-F228 HydrophobicContact CB-CD2 3.98Å; P220-F228 HydrophobicContact CG-CB 3.92Å; P220-F228 HydrophobicContact CG-CD2 3.75Å; P220-F228 HydrophobicContact CG-CG 3.93Å; F223-F228 HydrophobicContact CB-CE2 3.91Å; F223-F228 HydrophobicContact CB-CZ 3.9Å; F223-F228 HydrophobicContact CD2-CZ 4.19Å; F223-F228 HydrophobicContact CG-CZ 4.45Å; M226-F228 HydrophobicContact CB-CE2 4.11Å; M226-F228 HydrophobicContact CB-CZ 4.45Å; F228-I277 HydrophobicContact CE1-CD1 3.84Å; F228-I277 HydrophobicContact CZ-CD1 4.05Å |
| 229 | L | 95.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 145.8 | -177.8 | -51.6 | 90.6 | 0 | 0 | 0 | 108.7 | Q177 L179 L185 F188 V198 V199 L200 H227 | Q177-L229 CarbonylContact O-C 3.56Å; Q177-L229 VanDerWaalsContact O-CA 3.3Å; Q177-L229 WeakPolarHBondContact O-CA 3.32Å; L179-L229 HydrophobicContact CD1-CB 4.01Å; L179-L229 HydrophobicContact CD1-CD2 4.1Å; L185-L229 HydrophobicContact CD1-CB 4.49Å; L185-L229 HydrophobicContact CD1-CD2 4.05Å; F188-L229 HydrophobicContact CB-CD2 3.6Å; F188-L229 HydrophobicContact CG-CD2 4.19Å; V198-L229 PolarHBondContact O-N 2.9Å; V199-L229 CarbonylContact C-O 3.34Å; V199-L229 WeakPolarHBondContact CA-O 3.23Å; V199-L229 HydrophobicContact CG2-CB 4.35Å; V199-L229 HydrophobicContact CG2-CD1 4.16Å; L200-L229 PolarHBondContact N-O 3.2Å; H227-L229 HydrophobicContact CB-CD1 3.75Å |
| 230 | A | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V176 Q177 V178 L179 L200 F202 F216 L300 | V176-A230 HydrophobicContact CG1-CB 3.8Å; Q177-A230 PolarHBondContact O-N 3.03Å; V178-A230 CarbonylContact C-O 3.56Å; V178-A230 WeakPolarHBondContact CA-O 3.47Å; V178-A230 HydrophobicContact CG2-CB 4.48Å; L179-A230 PolarHBondContact N-O 2.99Å; L200-A230 HydrophobicContact CB-CB 4.28Å; L200-A230 CarbonylContact O-C 3.58Å; L200-A230 VanDerWaalsContact O-CA 3.32Å; L200-A230 WeakPolarHBondContact O-CA 3.42Å; F202-A230 HydrophobicContact CD1-CB 3.99Å; F202-A230 HydrophobicContact CE1-CB 3.86Å; F216-A230 HydrophobicContact CE1-CB 4.42Å; A230-L300 HydrophobicContact CB-CD1 4.02Å; A230-L300 HydrophobicContact CB-CD2 3.76Å; A230-L300 HydrophobicContact CB-CG 4.32Å |
| 231 | L | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 141.5 | -178.5 | 73.2 | 96.8 | 0 | 0 | 0 | 111 | L179 L185 V199 L200 F201 F202 A233 H236 | L179-L231 HydrophobicContact CB-CB 4.24Å; L185-L231 HydrophobicContact CB-CD2 4.47Å; L185-L231 HydrophobicContact CD1-CD2 4.14Å; L185-L231 HydrophobicContact CD2-CD2 3.8Å; L185-L231 HydrophobicContact CG-CD2 4.35Å; V199-L231 HydrophobicContact CG1-CD2 3.54Å; L200-L231 PolarHBondContact O-N 3.18Å; F201-L231 HydrophobicContact CD1-CD1 3.64Å; F201-L231 HydrophobicContact CD1-CD2 4.24Å; F201-L231 HydrophobicContact CD1-CG 4.15Å; F201-L231 HydrophobicContact CE1-CD1 3.84Å; F201-L231 HydrophobicContact CE1-CD2 3.93Å; F201-L231 HydrophobicContact CE1-CG 4.31Å; F201-L231 HydrophobicContact CE2-CD2 4.19Å; F201-L231 HydrophobicContact CG-CD1 4.28Å; F201-L231 HydrophobicContact CG-CD2 4.5Å; F201-L231 HydrophobicContact CG-CG 4.36Å; F201-L231 HydrophobicContact CZ-CD2 3.89Å; F202-L231 WeakPolarHBondContact CD1-O 3.32Å; F202-L231 VanDerWaalsContact CE1-C 3.49Å; F202-L231 PolarHBondContact N-O 3.25Å; L231-A233 PolarHBondContact O-N 3.47Å; L231-H236 HydrophobicContact CD1-CB 3.79Å |
| 232 | D | 94.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 109.4 | 177 | -170.1 | -21.9 | 0 | 0 | 0 | 110 | F202 S234 Q235 H236 | F202-D232 CarbonylContact O-C 3.53Å; F202-D232 WeakPolarHBondContact O-CA 3.28Å; D232-S234 VanDerWaalsContact CG-OG 3.28Å; D232-S234 PolarHBondContact O-N 3.44Å; D232-S234 WeakPolarHBondContact OD1-CB 3.45Å; D232-S234 PolarHBondContact OD1-N 3.5Å; D232-S234 PolarHBondContact OD1-OG 2.94Å; D232-S234 PolarHBondContact OD2-OG 2.81Å; D232-Q235 HydrophobicContact CB-CB 4.27Å; D232-Q235 HydrophobicContact CB-CG 4.11Å; D232-Q235 PolarHBondContact O-N 2.86Å; D232-Q235 VanDerWaalsContact O-N 3.13Å; D232-Q235 PolarHBondContact OD2-NE2 2.92Å; D232-H236 WeakPolarHBondContact O-CB 3.43Å; D232-H236 PolarHBondContact O-N 3.46Å |
| 233 | A | 93.9 | Very high | 92 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 12% | 0.124 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F201 F202 T203 L231 S240 V248 | F201-A233 HydrophobicContact CB-CB 4.48Å; F202-A233 PolarHBondContact O-N 2.77Å; T203-A233 HydrophobicContact CG2-CB 4.16Å; L231-A233 PolarHBondContact O-N 3.47Å; A233-S240 WeakPolarHBondContact CA-OG 3.49Å; A233-S240 WeakPolarHBondContact CB-OG 3.29Å; A233-S240 PolarHBondContact O-OG 2.94Å; A233-V248 HydrophobicContact CB-CG1 3.76Å |
| 234 | S | 91.2 | Very high | 92.1 | Very high | 62 Ų | 62 | 40 Ų | 40 | 43% | 0.434 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -24.9 | 177 | 70 | 0 | 0 | 0 | 0 | 113 | D232 | D232-S234 VanDerWaalsContact CG-OG 3.28Å; D232-S234 PolarHBondContact O-N 3.44Å; D232-S234 WeakPolarHBondContact OD1-CB 3.45Å; D232-S234 PolarHBondContact OD1-N 3.5Å; D232-S234 PolarHBondContact OD1-OG 2.94Å; D232-S234 PolarHBondContact OD2-OG 2.81Å |
| 235 | Q | 91.6 | Very high | 92.5 | Very high | 109 Ų | 109 | 39 Ų | 39 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -35.2 | 174.4 | -59.3 | 178.3 | 55 | 0 | 0 | 110.8 | D232 | D232-Q235 HydrophobicContact CB-CB 4.27Å; D232-Q235 HydrophobicContact CB-CG 4.11Å; D232-Q235 PolarHBondContact O-N 2.86Å; D232-Q235 VanDerWaalsContact O-N 3.13Å; D232-Q235 PolarHBondContact OD2-NE2 2.92Å |
| 236 | H | 91.7 | Very high | 92.7 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 7% | 0.069 | 26% | 0.259 | C | S | . | . | trans | -104.1 | 61.7 | -177.5 | -71.4 | -68.7 | 0 | 0 | 0 | 112.9 | N180 A181 Q183 L231 D232 S238 L239 S240 | N180-H236 PolarHBondContact O-CE1 2.97Å; N180-H236 PolarHBondContact O-NE2 3.05Å; A181-H236 PolarHBondContact O-CE1 3.32Å; Q183-H236 PolarHBondContact O-CE1 2.9Å; L231-H236 HydrophobicContact CD1-CB 3.79Å; D232-H236 WeakPolarHBondContact O-CB 3.43Å; D232-H236 PolarHBondContact O-N 3.46Å; H236-S238 PolarHBondContact O-N 2.72Å; H236-L239 HydrophobicContact CB-CB 4.38Å; H236-L239 HydrophobicContact CB-CD1 4.29Å; H236-S240 WeakPolarHBondContact O-CB 3.31Å; H236-S240 PolarHBondContact O-N 3.08Å; H236-S240 PolarHBondContact O-OG 2.78Å | ||
| 237 | S | 90.6 | Very high | 92.9 | Very high | 81 Ų | 81 | 47.9 Ų | 47.9 | 57% | 0.566 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | -178.3 | 60.3 | 0 | 0 | 0 | 0 | 113 | L239 S240 T241 | S237-L239 PolarHBondContact O-N 3.17Å; S237-S240 WeakPolarHBondContact O-CB 3.42Å; S237-S240 PolarHBondContact O-N 3.06Å; S237-T241 PolarHBondContact O-N 3.23Å; S237-T241 PolarHBondContact O-OG1 3.24Å |
| 238 | S | 91.3 | Very high | 93.1 | Very high | 84 Ų | 84 | 47.7 Ų | 47.7 | 59% | 0.587 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.9 | -45 | 179.6 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | H236 T241 R242 | H236-S238 PolarHBondContact O-N 2.72Å; S238-T241 PolarHBondContact O-N 3.4Å; S238-R242 VanDerWaalsContact O-CB 3.31Å; S238-R242 WeakPolarHBondContact O-CB 3.4Å; S238-R242 PolarHBondContact O-N 3Å |
| 239 | L | 91.9 | Very high | 93.1 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 175 | -64.1 | 179.9 | 0 | 0 | 0 | 111.2 | L185 H236 S237 T241 R242 F243 | L185-L239 HydrophobicContact CB-CD1 3.67Å; H236-L239 HydrophobicContact CB-CB 4.38Å; H236-L239 HydrophobicContact CB-CD1 4.29Å; S237-L239 PolarHBondContact O-N 3.17Å; L239-T241 VanDerWaalsContact C-N 3.34Å; L239-T241 PolarHBondContact O-N 3.27Å; L239-R242 PolarHBondContact O-N 2.69Å; L239-F243 HydrophobicContact CB-CD2 4.49Å; L239-F243 HydrophobicContact CD2-CE2 4.35Å; L239-F243 VanDerWaalsContact O-CD2 3.23Å; L239-F243 WeakPolarHBondContact O-CD2 3.34Å; L239-F243 PolarHBondContact O-N 3.34Å |
| 240 | S | 92.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 8% | 0.077 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 176.6 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | A233 H236 S237 G244 T245 | A233-S240 WeakPolarHBondContact CA-OG 3.49Å; A233-S240 WeakPolarHBondContact CB-OG 3.29Å; A233-S240 PolarHBondContact O-OG 2.94Å; H236-S240 WeakPolarHBondContact O-CB 3.31Å; H236-S240 PolarHBondContact O-N 3.08Å; H236-S240 PolarHBondContact O-OG 2.78Å; S237-S240 WeakPolarHBondContact O-CB 3.42Å; S237-S240 PolarHBondContact O-N 3.06Å; S240-G244 PolarHBondContact O-N 2.86Å; S240-T245 PolarHBondContact O-N 3.29Å |
| 241 | T | 93.1 | Very high | 93.2 | Very high | 117 Ų | 117 | 48.2 Ų | 48.2 | 72% | 0.718 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.1 | -48.2 | 172.2 | -54 | 0 | 0 | 0 | 0 | 111.9 | S237 S238 L239 F243 G244 | S237-T241 PolarHBondContact O-N 3.23Å; S237-T241 PolarHBondContact O-OG1 3.24Å; S238-T241 PolarHBondContact O-N 3.4Å; L239-T241 VanDerWaalsContact C-N 3.34Å; L239-T241 PolarHBondContact O-N 3.27Å; T241-F243 PolarHBondContact O-N 2.87Å; T241-G244 PolarHBondContact O-N 3.06Å |
| 242 | R | 92.9 | Very high | 93.2 | Very high | 157 Ų | 157 | 48.5 Ų | 48.5 | 59% | 0.592 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -56 | -34.9 | -178.5 | -179.3 | 176.8 | 176.4 | -170.4 | -5.5 | 113.1 | M186 S238 L239 | M186-R242 PolarHBondContact SD-NH1 3.27Å; M186-R242 PolarHBondContact SD-NH2 2.87Å; M186-R242 VanDerWaalsContact SD-NH2 3.36Å; S238-R242 VanDerWaalsContact O-CB 3.31Å; S238-R242 WeakPolarHBondContact O-CB 3.4Å; S238-R242 PolarHBondContact O-N 3Å; L239-R242 PolarHBondContact O-N 2.69Å |
| 243 | F | 92.8 | Very high | 93.2 | Very high | 22 Ų | 22 | 48 Ų | 48 | 10% | 0.096 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 4.9 | 179.4 | -65.6 | -61 | 0 | 0 | 0 | 114.6 | L185 M186 F201 L239 T241 T245 L252 F254 P259 R262 | L185-F243 HydrophobicContact CD2-CE2 3.97Å; M186-F243 HydrophobicContact CE-CE2 4.1Å; M186-F243 HydrophobicContact CE-CZ 3.52Å; F201-F243 HydrophobicContact CE1-CD2 4.23Å; F201-F243 HydrophobicContact CZ-CB 4.18Å; F201-F243 AromaticContact CZ-CD2 3.67Å; F201-F243 HydrophobicContact CZ-CD2 3.67Å; F201-F243 HydrophobicContact CZ-CE2 4.44Å; F201-F243 HydrophobicContact CZ-CG 4.22Å; L239-F243 HydrophobicContact CB-CD2 4.49Å; L239-F243 HydrophobicContact CD2-CE2 4.35Å; L239-F243 VanDerWaalsContact O-CD2 3.23Å; L239-F243 WeakPolarHBondContact O-CD2 3.34Å; L239-F243 PolarHBondContact O-N 3.34Å; T241-F243 PolarHBondContact O-N 2.87Å; F243-T245 VanDerWaalsContact C-N 3.35Å; F243-T245 PolarHBondContact O-N 3.49Å; F243-L252 HydrophobicContact CB-CD1 3.83Å; F243-L252 HydrophobicContact CG-CD1 4.29Å; F243-F254 HydrophobicContact CD1-CE1 4.15Å; F243-F254 AromaticContact CD1-CZ 3.9Å; F243-F254 HydrophobicContact CD1-CZ 3.9Å; F243-F254 HydrophobicContact CD2-CZ 4.32Å; F243-F254 AromaticContact CE1-CE1 3.42Å; F243-F254 HydrophobicContact CE1-CE1 3.42Å; F243-F254 VanDerWaalsContact CE1-CE1 3.42Å; F243-F254 AromaticContact CE1-CZ 3.57Å; F243-F254 HydrophobicContact CE1-CZ 3.57Å; F243-F254 HydrophobicContact CE2-CE1 4.36Å; F243-F254 AromaticContact CE2-CZ 4Å; F243-F254 HydrophobicContact CE2-CZ 4Å; F243-F254 HydrophobicContact CG-CZ 4.25Å; F243-F254 AromaticContact CZ-CE1 3.52Å; F243-F254 HydrophobicContact CZ-CE1 3.52Å; F243-F254 AromaticContact CZ-CZ 3.58Å; F243-F254 HydrophobicContact CZ-CZ 3.58Å; F243-P259 HydrophobicContact CD1-CB 4.34Å; F243-P259 HydrophobicContact CD1-CG 4.09Å; F243-P259 HydrophobicContact CE1-CB 4.39Å; F243-P259 HydrophobicContact CE1-CG 4.01Å; F243-R262 PolarHBondContact O-NH2 2.6Å |
| 244 | G | 92.9 | Very high | 93.2 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 35% | 0.351 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 40.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S240 T241 V246 R262 | S240-G244 PolarHBondContact O-N 2.86Å; T241-G244 PolarHBondContact O-N 3.06Å; G244-V246 PolarHBondContact O-N 3.17Å; G244-R262 PolarHBondContact O-NH1 3.5Å; G244-R262 PolarHBondContact O-NH2 3.42Å |
| 245 | T | 93.7 | Very high | 93.3 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | trans | -84.6 | 91.3 | 172.5 | -64.8 | 0 | 0 | 0 | 0 | 108.8 | F201 S240 F243 V248 N250 | F201-T245 HydrophobicContact CB-CG2 3.77Å; F201-T245 HydrophobicContact CD1-CG2 3.93Å; F201-T245 HydrophobicContact CG-CG2 3.99Å; S240-T245 PolarHBondContact O-N 3.29Å; F243-T245 VanDerWaalsContact C-N 3.35Å; F243-T245 PolarHBondContact O-N 3.49Å; T245-V248 HydrophobicContact CG2-CG1 4.34Å; T245-N250 HydrophobicContact CG2-CB 4.04Å; T245-N250 PolarHBondContact OG1-ND2 3.07Å | ||
| 246 | V | 91.9 | Very high | 93.2 | Very high | 143 Ų | 143 | 41.1 Ų | 41.1 | 87% | 0.867 | 25% | 0.249 | S | C | * | . | trans | -82.9 | -28 | -179.7 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | G244 | G244-V246 PolarHBondContact O-N 3.17Š| ||
| 247 | A | 92.9 | Very high | 93.1 | Very high | 71 Ų | 71 | 41.5 Ų | 41.5 | 59% | 0.587 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -143.6 | 161 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N250 | A247-N250 WeakPolarHBondContact O-CB 3.35Š|
| 248 | V | 94.8 | Very high | 93.1 | Very high | 34 Ų | 34 | 44.4 Ų | 44.4 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -124.7 | 149.2 | 178.5 | -67.6 | 0 | 0 | 0 | 0 | 111.2 | F201 T203 C206 A233 T245 | F201-V248 HydrophobicContact CB-CG1 4.49Å; T203-V248 HydrophobicContact CG2-CG1 4.38Å; T203-V248 HydrophobicContact CG2-CG2 4.02Å; C206-V248 HydrophobicContact CB-CG2 4.21Å; A233-V248 HydrophobicContact CB-CG1 3.76Å; T245-V248 HydrophobicContact CG2-CG1 4.34Å |
| 249 | P | 95.2 | Very high | 93.2 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | S | Bend | cis | -80 | 138.1 | -1.4 | 30.4 | -34 | 0 | 0 | 0 | 113.4 | L200 F201 F208 L212 R268 | L200-P249 HydrophobicContact CD1-CB 3.81Å; F201-P249 WeakPolarHBondContact O-CA 3.19Å; F208-P249 HydrophobicContact CB-CG 4.41Å; L212-P249 HydrophobicContact CB-CG 4.32Å; L212-P249 HydrophobicContact CD2-CB 3.51Å; L212-P249 HydrophobicContact CD2-CG 3.83Å; P249-R268 PolarHBondContact O-NH2 3.44Å |
| 250 | N | 95.6 | Very high | 93.2 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.6 | -179.8 | -175.6 | -7.8 | 0 | 0 | 0 | 109.7 | F201 T245 A247 R262 | F201-N250 HydrophobicContact CB-CB 4.34Å; F201-N250 PolarHBondContact N-O 3.13Å; F201-N250 PolarHBondContact O-N 3.02Å; T245-N250 HydrophobicContact CG2-CB 4.04Å; T245-N250 PolarHBondContact OG1-ND2 3.07Å; A247-N250 WeakPolarHBondContact O-CB 3.35Å; N250-R262 PolarHBondContact ND2-NH1 3.04Å |
| 251 | I | 96.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.2 | -173.9 | -55.3 | 169 | 0 | 0 | 0 | 108.2 | V198 V199 L200 L212 F216 F263 L273 | V198-I251 HydrophobicContact CG1-CG2 3.5Å; V199-I251 WeakPolarHBondContact O-CA 3.41Å; L200-I251 HydrophobicContact CD1-CG1 3.9Å; L212-I251 HydrophobicContact CD1-CD1 4.3Å; L212-I251 HydrophobicContact CD2-CD1 3.95Å; L212-I251 HydrophobicContact CD2-CG1 4.34Å; F216-I251 HydrophobicContact CD2-CD1 4.45Å; F216-I251 HydrophobicContact CE2-CG2 4.34Å; I251-F263 HydrophobicContact CB-CB 3.87Å; I251-F263 HydrophobicContact CG2-CB 4.47Å; I251-F263 PolarHBondContact O-N 2.98Å; I251-L273 HydrophobicContact CD1-CD2 3.35Å |
| 252 | L | 95.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133.3 | 178.8 | -64 | -177.4 | 0 | 0 | 0 | 110.1 | V199 F201 F243 F254 A261 R262 | V199-L252 PolarHBondContact N-O 3.07Å; V199-L252 PolarHBondContact O-N 3.11Å; F201-L252 HydrophobicContact CD2-CD1 4.38Å; F201-L252 HydrophobicContact CE2-CD1 3.7Å; F201-L252 HydrophobicContact CE2-CG 4.2Å; F201-L252 HydrophobicContact CZ-CD1 4.23Å; F243-L252 HydrophobicContact CB-CD1 3.83Å; F243-L252 HydrophobicContact CG-CD1 4.29Å; L252-F254 HydrophobicContact CB-CD2 4.07Å; L252-F254 HydrophobicContact CB-CE2 3.55Å; L252-F254 HydrophobicContact CB-CZ 4.38Å; L252-F254 HydrophobicContact CD1-CE2 4.13Å; L252-F254 HydrophobicContact CD1-CZ 4.22Å; L252-F254 HydrophobicContact CG-CE2 4.49Å; L252-A261 WeakPolarHBondContact CA-O 3.47Å; L252-R262 HydrophobicContact CD2-CB 3.65Å; L252-R262 HydrophobicContact CD2-CG 3.77Å |
| 253 | L | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 127.9 | 167.6 | 177 | 68.5 | 0 | 0 | 0 | 108.8 | V161 C196 V198 M260 A261 F276 Q280 T281 | V161-L253 HydrophobicContact CG2-CD2 4.09Å; C196-L253 HydrophobicContact CB-CD1 4.3Å; V198-L253 HydrophobicContact CG2-CD1 3.89Å; L253-M260 PolarHBondContact O-N 3.25Å; L253-A261 HydrophobicContact CB-CB 4.25Å; L253-A261 HydrophobicContact CD2-CB 4.48Å; L253-A261 PolarHBondContact N-O 2.82Å; L253-A261 PolarHBondContact O-N 3.49Å; L253-F276 HydrophobicContact CB-CE1 4.28Å; L253-F276 HydrophobicContact CB-CZ 4.26Å; L253-Q280 HydrophobicContact CD2-CB 3.57Å; L253-Q280 HydrophobicContact CD2-CG 4.35Å; L253-T281 HydrophobicContact CD1-CG2 4.01Å; L253-T281 HydrophobicContact CD2-CG2 3.76Å |
| 254 | F | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 149.9 | 176.2 | -75.3 | -96.8 | 0 | 0 | 0 | 111.2 | L185 L189 C196 S197 V199 F243 L252 K258 P259 | L185-F254 HydrophobicContact CD2-CZ 4.42Å; L189-F254 HydrophobicContact CD1-CB 4.31Å; L189-F254 HydrophobicContact CD1-CD1 3.5Å; L189-F254 VanDerWaalsContact CD1-CD1 3.5Å; L189-F254 HydrophobicContact CD1-CD2 4.23Å; L189-F254 HydrophobicContact CD1-CE1 3.72Å; L189-F254 HydrophobicContact CD1-CE2 4.41Å; L189-F254 HydrophobicContact CD1-CG 3.77Å; L189-F254 HydrophobicContact CD1-CZ 4.18Å; L189-F254 HydrophobicContact CD2-CB 4.1Å; L189-F254 HydrophobicContact CD2-CG 4.36Å; C196-F254 VanDerWaalsContact CA-O 3.26Å; C196-F254 WeakPolarHBondContact CA-O 3.32Å; S197-F254 PolarHBondContact N-O 3.43Å; S197-F254 PolarHBondContact O-N 3.11Å; V199-F254 HydrophobicContact CB-CD2 3.95Å; V199-F254 HydrophobicContact CB-CE2 3.8Å; V199-F254 HydrophobicContact CG1-CE2 4.49Å; V199-F254 HydrophobicContact CG2-CD2 3.44Å; V199-F254 VanDerWaalsContact CG2-CD2 3.44Å; V199-F254 HydrophobicContact CG2-CE2 3.66Å; V199-F254 HydrophobicContact CG2-CG 4.37Å; F243-F254 HydrophobicContact CD1-CE1 4.15Å; F243-F254 AromaticContact CD1-CZ 3.9Å; F243-F254 HydrophobicContact CD1-CZ 3.9Å; F243-F254 HydrophobicContact CD2-CZ 4.32Å; F243-F254 AromaticContact CE1-CE1 3.42Å; F243-F254 HydrophobicContact CE1-CE1 3.42Å; F243-F254 VanDerWaalsContact CE1-CE1 3.42Å; F243-F254 AromaticContact CE1-CZ 3.57Å; F243-F254 HydrophobicContact CE1-CZ 3.57Å; F243-F254 HydrophobicContact CE2-CE1 4.36Å; F243-F254 AromaticContact CE2-CZ 4Å; F243-F254 HydrophobicContact CE2-CZ 4Å; F243-F254 HydrophobicContact CG-CZ 4.25Å; F243-F254 AromaticContact CZ-CE1 3.52Å; F243-F254 HydrophobicContact CZ-CE1 3.52Å; F243-F254 AromaticContact CZ-CZ 3.58Å; F243-F254 HydrophobicContact CZ-CZ 3.58Å; L252-F254 HydrophobicContact CB-CD2 4.07Å; L252-F254 HydrophobicContact CB-CE2 3.55Å; L252-F254 HydrophobicContact CB-CZ 4.38Å; L252-F254 HydrophobicContact CD1-CE2 4.13Å; L252-F254 HydrophobicContact CD1-CZ 4.22Å; L252-F254 HydrophobicContact CG-CE2 4.49Å; F254-K258 VanDerWaalsContact CA-O 3.3Å; F254-K258 WeakPolarHBondContact CA-O 3.11Å; F254-P259 HydrophobicContact CD1-CB 4.12Å; F254-P259 HydrophobicContact CE1-CB 3.72Å; F254-P259 HydrophobicContact CE1-CG 4.26Å; F254-P259 HydrophobicContact CZ-CB 4.04Å |
| 255 | Q | 92.3 | Very high | 93.2 | Very high | 40 Ų | 40 | 48 Ų | 48 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 109.5 | 166.8 | -175.5 | -164.7 | 25.7 | 0 | 0 | 106.5 | V161 N162 A257 K258 M260 | V161-Q255 HydrophobicContact CG1-CB 3.81Å; V161-Q255 HydrophobicContact CG1-CG 3.95Å; N162-Q255 PolarHBondContact O-NE2 2.95Å; Q255-A257 PolarHBondContact O-N 3.48Å; Q255-K258 PolarHBondContact N-O 3.26Å; Q255-K258 PolarHBondContact O-N 3.42Å; Q255-M260 HydrophobicContact CB-CG 3.63Å; Q255-M260 HydrophobicContact CB-SD 4.22Å |
| 256 | G | 89.9 | Confident | 92.8 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | -129 | -160.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | N190 S193 E195 K258 | N190-G256 VanDerWaalsContact O-CA 3.3Å; N190-G256 WeakPolarHBondContact O-CA 3.47Å; S193-G256 WeakPolarHBondContact O-CA 3.41Å; S193-G256 PolarHBondContact O-N 3.32Å; E195-G256 PolarHBondContact O-N 2.96Å; G256-K258 PolarHBondContact O-N 2.88Å |
| 257 | A | 89.8 | Confident | 92.7 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 19% | 0.19 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 1.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A191 Q255 | A191-A257 HydrophobicContact CB-CB 3.83Å; Q255-A257 PolarHBondContact O-N 3.48Å |
| 258 | K | 91 | Very high | 92.6 | Very high | 143 Ų | 143 | 51.2 Ų | 51.2 | 62% | 0.622 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.8 | -173.4 | -62.3 | 176.1 | -177.3 | 166.3 | 0 | 111.9 | F254 Q255 G256 M260 | F254-K258 VanDerWaalsContact CA-O 3.3Å; F254-K258 WeakPolarHBondContact CA-O 3.11Å; Q255-K258 PolarHBondContact N-O 3.26Å; Q255-K258 PolarHBondContact O-N 3.42Å; G256-K258 PolarHBondContact O-N 2.88Å; K258-M260 HydrophobicContact CB-CE 3.61Å; K258-M260 PolarHBondContact O-N 3.38Å |
| 259 | P | 92.1 | Very high | 92.5 | Very high | 66 Ų | 66 | 52.2 Ų | 52.2 | 43% | 0.429 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 121.8 | 174.1 | 29.9 | -33 | 0 | 0 | 0 | 110.2 | F243 F254 | F243-P259 HydrophobicContact CD1-CB 4.34Å; F243-P259 HydrophobicContact CD1-CG 4.09Å; F243-P259 HydrophobicContact CE1-CB 4.39Å; F243-P259 HydrophobicContact CE1-CG 4.01Å; F254-P259 HydrophobicContact CD1-CB 4.12Å; F254-P259 HydrophobicContact CE1-CB 3.72Å; F254-P259 HydrophobicContact CE1-CG 4.26Å; F254-P259 HydrophobicContact CZ-CB 4.04Å |
| 260 | M | 92.4 | Very high | 92.3 | Very high | 70 Ų | 70 | 53.2 Ų | 53.2 | 35% | 0.345 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -36.6 | -173.7 | -64.2 | -68.7 | 87.3 | 0 | 0 | 113.7 | V161 L253 Q255 K258 | V161-M260 HydrophobicContact CG1-CB 4.4Å; V161-M260 HydrophobicContact CG1-CG 3.86Å; V161-M260 HydrophobicContact CG1-SD 4.4Å; V161-M260 HydrophobicContact CG2-CB 3.63Å; V161-M260 HydrophobicContact CG2-CG 3.98Å; L253-M260 PolarHBondContact O-N 3.25Å; Q255-M260 HydrophobicContact CB-CG 3.63Å; Q255-M260 HydrophobicContact CB-SD 4.22Å; K258-M260 HydrophobicContact CB-CE 3.61Å; K258-M260 PolarHBondContact O-N 3.38Å |
| 261 | A | 93.6 | Very high | 92.2 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 155.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L252 L253 F276 Q280 | L252-A261 WeakPolarHBondContact CA-O 3.47Å; L253-A261 HydrophobicContact CB-CB 4.25Å; L253-A261 HydrophobicContact CD2-CB 4.48Å; L253-A261 PolarHBondContact N-O 2.82Å; L253-A261 PolarHBondContact O-N 3.49Å; A261-F276 HydrophobicContact CB-CE2 4.12Å; A261-F276 HydrophobicContact CB-CZ 3.93Å; A261-Q280 HydrophobicContact CB-CG 4.25Å; A261-Q280 VanDerWaalsContact CB-NE2 3.32Å |
| 262 | R | 94.8 | Very high | 92 | Very high | 107 Ų | 107 | 62.1 Ų | 62.1 | 40% | 0.404 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 137.4 | 173.7 | -179 | 173.8 | -62.9 | -154.5 | -3.8 | 109.5 | F243 G244 N250 L252 | F243-R262 PolarHBondContact O-NH2 2.6Å; G244-R262 PolarHBondContact O-NH1 3.5Å; G244-R262 PolarHBondContact O-NH2 3.42Å; N250-R262 PolarHBondContact ND2-NH1 3.04Å; L252-R262 HydrophobicContact CD2-CB 3.65Å; L252-R262 HydrophobicContact CD2-CG 3.77Å |
| 263 | F | 94.8 | Very high | 91.9 | Very high | 8 Ų | 8 | 61.9 Ų | 61.9 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | trans | -72.1 | 125 | 170.7 | -172.7 | -97.4 | 0 | 0 | 0 | 110.2 | I251 H265 D267 R268 M272 L273 F276 | I251-F263 HydrophobicContact CB-CB 3.87Å; I251-F263 HydrophobicContact CG2-CB 4.47Å; I251-F263 PolarHBondContact O-N 2.98Å; F263-H265 HydrophobicContact CE1-CB 3.82Å; F263-H265 HydrophobicContact CE2-CB 4.33Å; F263-H265 AromaticContact CE2-CD2 3.83Å; F263-H265 HydrophobicContact CZ-CB 3.65Å; F263-D267 WeakPolarHBondContact CZ-O 3.31Å; F263-R268 HydrophobicContact CD1-CG 4.47Å; F263-R268 HydrophobicContact CE1-CG 3.83Å; F263-M272 HydrophobicContact CE2-CB 4.42Å; F263-M272 HydrophobicContact CZ-CB 4.11Å; F263-L273 HydrophobicContact CD1-CD2 4.44Å; F263-L273 HydrophobicContact CD2-CD2 3.99Å; F263-L273 HydrophobicContact CE1-CD2 4.26Å; F263-L273 HydrophobicContact CE2-CD2 3.79Å; F263-L273 HydrophobicContact CG-CD2 4.3Å; F263-L273 HydrophobicContact CZ-CD2 3.91Å; F263-F276 HydrophobicContact CB-CE1 4.44Å; F263-F276 HydrophobicContact CB-CZ 4.41Å; F263-F276 HydrophobicContact CD2-CB 3.78Å; F263-F276 AromaticContact CD2-CD1 3.96Å; F263-F276 HydrophobicContact CD2-CD1 3.96Å; F263-F276 HydrophobicContact CD2-CD2 4.04Å; F263-F276 AromaticContact CD2-CG 3.67Å; F263-F276 HydrophobicContact CD2-CG 3.67Å; F263-F276 HydrophobicContact CE2-CB 3.93Å; F263-F276 HydrophobicContact CE2-CG 4.33Å | ||
| 264 | N | 91.4 | Very high | 91.8 | Very high | 148 Ų | 148 | 62.4 Ų | 62.4 | 79% | 0.791 | 32% | 0.317 | S | S | * | . | trans | -123.6 | 9.6 | -173.2 | -162 | 39 | 0 | 0 | 0 | 114.4 | ||||
| 265 | H | 89.4 | Confident | 91.7 | Very high | 91 Ų | 91 | 64.9 Ų | 64.9 | 42% | 0.421 | 34% | 0.335 | S | S | . | . | trans | -80.9 | 150.5 | 176.4 | -61.8 | -80 | 0 | 0 | 0 | 111.5 | F263 R268 M272 | F263-H265 HydrophobicContact CE1-CB 3.82Å; F263-H265 HydrophobicContact CE2-CB 4.33Å; F263-H265 AromaticContact CE2-CD2 3.83Å; F263-H265 HydrophobicContact CZ-CB 3.65Å; H265-R268 PolarHBondContact O-NH1 3.43Å; H265-M272 HydrophobicContact CB-CE 4.12Å | ||
| 266 | T | 86.9 | Confident | 91.8 | Very high | 114 Ų | 114 | 64 Ų | 64 | 70% | 0.699 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -60.5 | -55 | 169.4 | 40.8 | 0 | 0 | 0 | 0 | 109.9 | R268 | T266-R268 PolarHBondContact O-NH1 3.28Š|
| 267 | D | 89.1 | Confident | 91.9 | Very high | 103 Ų | 103 | 64 Ų | 64 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | trans | -81.6 | 120.8 | -172.4 | -55 | -54 | 0 | 0 | 0 | 111 | F263 | F263-D267 WeakPolarHBondContact CZ-O 3.31Š| ||
| 268 | R | 90.8 | Very high | 92 | Very high | 81 Ų | 81 | 64.7 Ų | 64.7 | 31% | 0.306 | 33% | 0.332 | S | S | . | . | trans | -106.1 | 37.6 | -171.9 | -79.7 | 170.2 | 172.3 | 73.1 | -7.5 | 111.6 | L212 H215 P249 F263 H265 T266 | L212-R268 HydrophobicContact CD1-CB 3.96Å; H215-R268 PolarHBondContact CD2-O 2.85Å; H215-R268 VanDerWaalsContact CD2-O 3.28Å; P249-R268 PolarHBondContact O-NH2 3.44Å; F263-R268 HydrophobicContact CD1-CG 4.47Å; F263-R268 HydrophobicContact CE1-CG 3.83Å; H265-R268 PolarHBondContact O-NH1 3.43Å; T266-R268 PolarHBondContact O-NH1 3.28Å | ||
| 269 | T | 92.6 | Very high | 92.1 | Very high | 54 Ų | 54 | 63.1 Ų | 63.1 | 33% | 0.331 | 33% | 0.33 | S | S | . | . | trans | -75.8 | 157.3 | 178.1 | 63 | 0 | 0 | 0 | 0 | 111.1 | E271 M272 L273 | T269-E271 PolarHBondContact O-N 3.38Å; T269-M272 PolarHBondContact O-N 2.89Å; T269-M272 WeakPolarHBondContact OG1-CG 3.48Å; T269-M272 PolarHBondContact OG1-N 2.87Å; T269-L273 VanDerWaalsContact O-CG 3.29Å; T269-L273 WeakPolarHBondContact O-CG 3.36Å; T269-L273 PolarHBondContact O-N 3.35Å | ||
| 270 | L | 92.1 | Very high | 92 | Very high | 28 Ų | 28 | 61.2 Ų | 61.2 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -52.6 | -38.4 | 176 | 178.4 | 65.1 | 0 | 0 | 0 | 112.5 | H215 A218 L219 V222 L273 T274 V291 | H215-L270 HydrophobicContact CB-CB 4.42Å; A218-L270 HydrophobicContact CB-CD1 4.01Å; A218-L270 HydrophobicContact CB-CD2 4.36Å; L219-L270 HydrophobicContact CD2-CD1 3.7Å; L219-L270 HydrophobicContact CG-CD1 4.16Å; V222-L270 HydrophobicContact CG2-CD1 4.28Å; L270-L273 PolarHBondContact O-N 3.15Å; L270-T274 VanDerWaalsContact O-CB 3.31Å; L270-T274 WeakPolarHBondContact O-CB 3.43Å; L270-T274 PolarHBondContact O-N 3.1Å; L270-T274 PolarHBondContact O-OG1 3.48Å; L270-V291 HydrophobicContact CD2-CB 4.25Å; L270-V291 HydrophobicContact CD2-CG1 4.31Å; L270-V291 HydrophobicContact CD2-CG2 3.89Å |
| 271 | E | 91.5 | Very high | 91.9 | Very high | 143 Ų | 143 | 58.3 Ų | 58.3 | 67% | 0.668 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.9 | -44.8 | -179.3 | -63.6 | 179.1 | 178.4 | 0 | 0 | 112.6 | T269 L273 T274 S275 | T269-E271 PolarHBondContact O-N 3.38Å; E271-L273 VanDerWaalsContact C-N 3.34Å; E271-T274 WeakPolarHBondContact O-CB 2.96Å; E271-T274 PolarHBondContact O-N 3.12Å; E271-S275 PolarHBondContact O-N 3.02Å; E271-S275 PolarHBondContact O-OG 3.42Å |
| 272 | M | 93.4 | Very high | 91.6 | Very high | 58 Ų | 58 | 58.3 Ų | 58.3 | 29% | 0.286 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.8 | -35 | 177.5 | -68.8 | -58.2 | -65.5 | 0 | 0 | 112.1 | F263 H265 T269 S275 F276 | F263-M272 HydrophobicContact CE2-CB 4.42Å; F263-M272 HydrophobicContact CZ-CB 4.11Å; H265-M272 HydrophobicContact CB-CE 4.12Å; T269-M272 PolarHBondContact O-N 2.89Å; T269-M272 WeakPolarHBondContact OG1-CG 3.48Å; T269-M272 PolarHBondContact OG1-N 2.87Å; M272-S275 PolarHBondContact O-OG 3.49Å; M272-S275 VanDerWaalsContact O-OG 3.11Å; M272-F276 WeakPolarHBondContact O-CB 3.49Å; M272-F276 PolarHBondContact O-N 3.19Å |
| 273 | L | 93.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 173.4 | -63.9 | 168.7 | 0 | 0 | 0 | 111.2 | L212 H215 L219 I251 F263 T269 L270 E271 I277 | L212-L273 HydrophobicContact CD1-CD1 3.71Å; H215-L273 HydrophobicContact CB-CD1 4.12Å; L219-L273 HydrophobicContact CD1-CB 4.06Å; L219-L273 HydrophobicContact CD1-CD1 4.12Å; L219-L273 HydrophobicContact CD2-CB 3.88Å; L219-L273 HydrophobicContact CG-CB 4.49Å; I251-L273 HydrophobicContact CD1-CD2 3.35Å; F263-L273 HydrophobicContact CD1-CD2 4.44Å; F263-L273 HydrophobicContact CD2-CD2 3.99Å; F263-L273 HydrophobicContact CE1-CD2 4.26Å; F263-L273 HydrophobicContact CE2-CD2 3.79Å; F263-L273 HydrophobicContact CG-CD2 4.3Å; F263-L273 HydrophobicContact CZ-CD2 3.91Å; T269-L273 VanDerWaalsContact O-CG 3.29Å; T269-L273 WeakPolarHBondContact O-CG 3.36Å; T269-L273 PolarHBondContact O-N 3.35Å; L270-L273 PolarHBondContact O-N 3.15Å; E271-L273 VanDerWaalsContact C-N 3.34Å; L273-I277 WeakPolarHBondContact O-CD1 3.48Å; L273-I277 VanDerWaalsContact O-CG1 3.26Å; L273-I277 WeakPolarHBondContact O-CG1 3.14Å; L273-I277 PolarHBondContact O-N 3.29Å |
| 274 | T | 92.8 | Very high | 90.6 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.8 | -50.3 | 174.9 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | V222 F223 L270 E271 F276 I277 T278 A285 | V222-T274 HydrophobicContact CG1-CG2 4.16Å; F223-T274 HydrophobicContact CE2-CG2 3.91Å; F223-T274 HydrophobicContact CZ-CG2 3.68Å; L270-T274 VanDerWaalsContact O-CB 3.31Å; L270-T274 WeakPolarHBondContact O-CB 3.43Å; L270-T274 PolarHBondContact O-N 3.1Å; L270-T274 PolarHBondContact O-OG1 3.48Å; E271-T274 WeakPolarHBondContact O-CB 2.96Å; E271-T274 PolarHBondContact O-N 3.12Å; T274-F276 PolarHBondContact O-N 3.03Å; T274-I277 PolarHBondContact O-N 3Å; T274-I277 VanDerWaalsContact O-N 3.17Å; T274-T278 HydrophobicContact CG2-CG2 4.35Å; T274-T278 WeakPolarHBondContact O-CG2 3.37Å; T274-T278 PolarHBondContact O-N 3.02Å; T274-T278 PolarHBondContact O-OG1 3.24Å; T274-A285 HydrophobicContact CG2-CB 4.23Å |
| 275 | S | 92.2 | Very high | 90.1 | Very high | 52 Ų | 52 | 54.5 Ų | 54.5 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -33.9 | -179.2 | 66.9 | 0 | 0 | 0 | 0 | 113.2 | E271 M272 T278 N279 | E271-S275 PolarHBondContact O-N 3.02Å; E271-S275 PolarHBondContact O-OG 3.42Å; M272-S275 PolarHBondContact O-OG 3.49Å; M272-S275 VanDerWaalsContact O-OG 3.11Å; S275-T278 PolarHBondContact O-OG1 3.07Å; S275-N279 WeakPolarHBondContact O-CB 3.37Å; S275-N279 PolarHBondContact O-N 3.21Å |
| 276 | F | 93.4 | Very high | 89.2 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 169.7 | 168.4 | -104.3 | 0 | 0 | 0 | 111.6 | L253 A261 F263 M272 T274 Q280 | L253-F276 HydrophobicContact CB-CE1 4.28Å; L253-F276 HydrophobicContact CB-CZ 4.26Å; A261-F276 HydrophobicContact CB-CE2 4.12Å; A261-F276 HydrophobicContact CB-CZ 3.93Å; F263-F276 HydrophobicContact CB-CE1 4.44Å; F263-F276 HydrophobicContact CB-CZ 4.41Å; F263-F276 HydrophobicContact CD2-CB 3.78Å; F263-F276 AromaticContact CD2-CD1 3.96Å; F263-F276 HydrophobicContact CD2-CD1 3.96Å; F263-F276 HydrophobicContact CD2-CD2 4.04Å; F263-F276 AromaticContact CD2-CG 3.67Å; F263-F276 HydrophobicContact CD2-CG 3.67Å; F263-F276 HydrophobicContact CE2-CB 3.93Å; F263-F276 HydrophobicContact CE2-CG 4.33Å; M272-F276 WeakPolarHBondContact O-CB 3.49Å; M272-F276 PolarHBondContact O-N 3.19Å; T274-F276 PolarHBondContact O-N 3.03Å; F276-Q280 HydrophobicContact CD2-CG 4Å; F276-Q280 HydrophobicContact CE2-CG 3.81Å; F276-Q280 HydrophobicContact CZ-CG 4.25Å; F276-Q280 WeakPolarHBondContact O-CB 3.45Å; F276-Q280 WeakPolarHBondContact O-CG 3.46Å; F276-Q280 PolarHBondContact O-N 3.02Å |
| 277 | I | 92.6 | Very high | 87.8 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -48.4 | -179.5 | -70.2 | 166.7 | 0 | 0 | 0 | 111.1 | V198 L219 F223 M226 F228 L273 T274 N279 Q280 T281 | V198-I277 HydrophobicContact CG2-CD1 4.09Å; V198-I277 HydrophobicContact CG2-CG1 4.19Å; L219-I277 HydrophobicContact CD1-CD1 4.31Å; L219-I277 HydrophobicContact CD2-CD1 4.07Å; F223-I277 HydrophobicContact CD1-CG2 4.01Å; F223-I277 HydrophobicContact CD2-CD1 4.03Å; F223-I277 HydrophobicContact CD2-CG2 4.11Å; F223-I277 HydrophobicContact CE1-CG2 3.74Å; F223-I277 HydrophobicContact CE2-CB 4.01Å; F223-I277 HydrophobicContact CE2-CD1 3.92Å; F223-I277 HydrophobicContact CE2-CG2 3.85Å; F223-I277 HydrophobicContact CG-CG2 4.17Å; F223-I277 HydrophobicContact CZ-CB 3.93Å; F223-I277 HydrophobicContact CZ-CG2 3.63Å; M226-I277 HydrophobicContact CE-CG2 3.26Å; M226-I277 HydrophobicContact SD-CG2 4.06Å; F228-I277 HydrophobicContact CE1-CD1 3.84Å; F228-I277 HydrophobicContact CZ-CD1 4.05Å; L273-I277 WeakPolarHBondContact O-CD1 3.48Å; L273-I277 VanDerWaalsContact O-CG1 3.26Å; L273-I277 WeakPolarHBondContact O-CG1 3.14Å; L273-I277 PolarHBondContact O-N 3.29Å; T274-I277 PolarHBondContact O-N 3Å; T274-I277 VanDerWaalsContact O-N 3.17Å; I277-N279 PolarHBondContact O-N 3.05Å; I277-Q280 PolarHBondContact O-N 3.03Å; I277-T281 WeakPolarHBondContact O-CB 3.41Å; I277-T281 PolarHBondContact O-N 3.44Å; I277-T281 PolarHBondContact O-OG1 2.89Å |
| 278 | T | 91.8 | Very high | 86.3 | Confident | 39 Ų | 39 | 53.3 Ų | 53.3 | 24% | 0.239 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -41.6 | -179.8 | 64.1 | 0 | 0 | 0 | 0 | 111.9 | F223 T274 S275 G282 F283 | F223-T278 HydrophobicContact CE1-CG2 3.96Å; F223-T278 HydrophobicContact CZ-CG2 3.8Å; T274-T278 HydrophobicContact CG2-CG2 4.35Å; T274-T278 WeakPolarHBondContact O-CG2 3.37Å; T274-T278 PolarHBondContact O-N 3.02Å; T274-T278 PolarHBondContact O-OG1 3.24Å; S275-T278 PolarHBondContact O-OG1 3.07Å; T278-G282 VanDerWaalsContact O-CA 3.31Å; T278-G282 WeakPolarHBondContact O-CA 3.34Å; T278-G282 PolarHBondContact O-N 3.48Å; T278-F283 VanDerWaalsContact CG2-O 3.26Å; T278-F283 WeakPolarHBondContact CG2-O 3.44Å |
| 279 | N | 92 | Very high | 85 | Confident | 110 Ų | 110 | 57.2 Ų | 57.2 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 178.1 | -171.8 | -25.8 | 0 | 0 | 0 | 111.9 | S275 I277 | S275-N279 WeakPolarHBondContact O-CB 3.37Å; S275-N279 PolarHBondContact O-N 3.21Å; I277-N279 PolarHBondContact O-N 3.05Å |
| 280 | Q | 91.6 | Very high | 84.1 | Confident | 26 Ų | 26 | 60.8 Ų | 60.8 | 12% | 0.121 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -77.6 | -35.6 | -176.4 | -70.2 | -63 | 125.2 | 0 | 0 | 114.2 | K160 V161 L253 A261 F276 I277 | K160-Q280 PolarHBondContact N-O 3.49Å; V161-Q280 PolarHBondContact N-O 3.26Å; V161-Q280 VanDerWaalsContact N-O 3.1Å; L253-Q280 HydrophobicContact CD2-CB 3.57Å; L253-Q280 HydrophobicContact CD2-CG 4.35Å; A261-Q280 HydrophobicContact CB-CG 4.25Å; A261-Q280 VanDerWaalsContact CB-NE2 3.32Å; F276-Q280 HydrophobicContact CD2-CG 4Å; F276-Q280 HydrophobicContact CE2-CG 3.81Å; F276-Q280 HydrophobicContact CZ-CG 4.25Å; F276-Q280 WeakPolarHBondContact O-CB 3.45Å; F276-Q280 WeakPolarHBondContact O-CG 3.46Å; F276-Q280 PolarHBondContact O-N 3.02Å; I277-Q280 PolarHBondContact O-N 3.03Å |
| 281 | T | 89.2 | Confident | 83.6 | Confident | 8 Ų | 8 | 60 Ų | 60 | 5% | 0.049 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -109.7 | -18.3 | -170.9 | 65.9 | 0 | 0 | 0 | 0 | 114.6 | C163 M226 L253 I277 F283 | C163-T281 VanDerWaalsContact SG-CG2 3.55Å; M226-T281 HydrophobicContact SD-CG2 4.18Å; L253-T281 HydrophobicContact CD1-CG2 4.01Å; L253-T281 HydrophobicContact CD2-CG2 3.76Å; I277-T281 WeakPolarHBondContact O-CB 3.41Å; I277-T281 PolarHBondContact O-N 3.44Å; I277-T281 PolarHBondContact O-OG1 2.89Å; T281-F283 HydrophobicContact CG2-CD2 4.4Å; T281-F283 PolarHBondContact O-N 2.97Å; T281-F283 WeakPolarHBondContact OG1-CD2 3.41Å; T281-F283 PolarHBondContact OG1-N 3.4Å |
| 282 | G | 86.5 | Confident | 83.3 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | trans | 69.5 | 7.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y159 T278 | Y159-G282 VanDerWaalsContact CE1-CA 3.41Å; Y159-G282 VanDerWaalsContact CG-CA 3.47Å; T278-G282 VanDerWaalsContact O-CA 3.31Å; T278-G282 WeakPolarHBondContact O-CA 3.34Å; T278-G282 PolarHBondContact O-N 3.48Å | ||
| 283 | F | 86.6 | Confident | 82.9 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 124.5 | 173.4 | -65.5 | -39.4 | 0 | 0 | 0 | 110.9 | C163 K165 F223 M226 T278 T281 | C163-F283 HydrophobicContact CB-CD2 4.35Å; C163-F283 HydrophobicContact CB-CE1 4.23Å; C163-F283 HydrophobicContact CB-CE2 3.36Å; C163-F283 HydrophobicContact CB-CZ 3.3Å; C163-F283 VanDerWaalsContact O-CZ 3.26Å; C163-F283 WeakPolarHBondContact O-CZ 3.35Å; K165-F283 HydrophobicContact CD-CE1 4.21Å; K165-F283 HydrophobicContact CG-CD1 4.12Å; K165-F283 HydrophobicContact CG-CE1 3.35Å; K165-F283 HydrophobicContact CG-CZ 3.82Å; F223-F283 HydrophobicContact CD1-CB 4.47Å; M226-F283 HydrophobicContact CE-CB 4.15Å; M226-F283 HydrophobicContact CE-CD2 3.46Å; M226-F283 VanDerWaalsContact CE-CD2 3.46Å; M226-F283 HydrophobicContact CE-CE2 4.27Å; M226-F283 HydrophobicContact CE-CG 4.27Å; M226-F283 HydrophobicContact CG-CD2 3.89Å; M226-F283 HydrophobicContact CG-CE2 3.73Å; M226-F283 HydrophobicContact SD-CD2 3.54Å; M226-F283 VanDerWaalsContact SD-CD2 3.54Å; M226-F283 HydrophobicContact SD-CE2 3.82Å; T278-F283 VanDerWaalsContact CG2-O 3.26Å; T278-F283 WeakPolarHBondContact CG2-O 3.44Å; T281-F283 HydrophobicContact CG2-CD2 4.4Å; T281-F283 PolarHBondContact O-N 2.97Å; T281-F283 WeakPolarHBondContact OG1-CD2 3.41Å; T281-F283 PolarHBondContact OG1-N 3.4Å |
| 284 | E | 82.7 | Confident | 82.5 | Confident | 147 Ų | 147 | 61.4 Ų | 61.4 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 142.2 | 169.4 | -67 | -57.8 | 147.8 | 0 | 0 | 110.9 | ||
| 285 | A | 81.2 | Confident | 82.1 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 140.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | V222 F223 T274 | V222-A285 HydrophobicContact CG1-CB 3.61Å; F223-A285 HydrophobicContact CE1-CB 4.32Å; F223-A285 HydrophobicContact CZ-CB 4.36Å; T274-A285 HydrophobicContact CG2-CB 4.23Å |
| 286 | G | 69.5 | Low | 82 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 143.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | V222 N288 R289 | V222-G286 PolarHBondContact O-N 2.8Å; G286-N288 PolarHBondContact O-N 3.3Å; G286-N288 VanDerWaalsContact O-N 3.13Å; G286-R289 PolarHBondContact O-N 3.42Å |
| 287 | P | 58.3 | Low | 81.6 | Confident | 132 Ų | 132 | 70.5 Ų | 70.5 | 86% | 0.857 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -61.7 | -26.5 | -173.6 | 23.2 | -33.6 | 0 | 0 | 0 | 113.3 | R289 | P287-R289 VanDerWaalsContact C-N 3.27Å; P287-R289 PolarHBondContact O-N 3.02Å; P287-R289 VanDerWaalsContact O-N 3.13Å |
| 288 | N | 57.7 | Low | 81.3 | Confident | 131 Ų | 131 | 71.8 Ų | 71.8 | 70% | 0.701 | 39% | 0.392 | S | S | * | . | trans | -86.6 | 67.5 | 171.1 | -67.8 | -27.2 | 0 | 0 | 0 | 110.4 | G286 D290 | G286-N288 PolarHBondContact O-N 3.3Å; G286-N288 VanDerWaalsContact O-N 3.13Å; N288-D290 PolarHBondContact O-N 2.95Å; N288-D290 VanDerWaalsContact O-N 3.11Å | ||
| 289 | R | 63.7 | Low | 81.2 | Confident | 164 Ų | 164 | 73.6 Ų | 73.6 | 62% | 0.619 | 40% | 0.404 | S | S | * | . | trans | -71.4 | 2.6 | -175.9 | -156.4 | 175.5 | 174.6 | -159.8 | -4.5 | 114.3 | G286 P287 V291 | G286-R289 PolarHBondContact O-N 3.42Å; P287-R289 VanDerWaalsContact C-N 3.27Å; P287-R289 PolarHBondContact O-N 3.02Å; P287-R289 VanDerWaalsContact O-N 3.13Å; R289-V291 PolarHBondContact O-N 3.33Å; R289-V291 VanDerWaalsContact O-N 3.07Å | ||
| 290 | D | 73.4 | Confident | 81.3 | Confident | 128 Ų | 128 | 68.8 Ų | 68.8 | 68% | 0.684 | 38% | 0.378 | S | S | * | . | trans | -79.2 | 89.1 | -176.6 | -163.2 | 14.3 | 0 | 0 | 0 | 111.3 | N288 T292 | N288-D290 PolarHBondContact O-N 2.95Å; N288-D290 VanDerWaalsContact O-N 3.11Å; D290-T292 PolarHBondContact O-N 3.25Å | ||
| 291 | V | 82.1 | Confident | 81.2 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | trans | -74.7 | 107.5 | 175.1 | 171.5 | 0 | 0 | 0 | 0 | 109 | A218 V222 L270 R289 D295 R296 | A218-V291 HydrophobicContact CB-CG1 3.44Å; A218-V291 VanDerWaalsContact CB-CG1 3.44Å; A218-V291 HydrophobicContact CB-CG2 4.33Å; V222-V291 HydrophobicContact CG2-CG2 3.72Å; L270-V291 HydrophobicContact CD2-CB 4.25Å; L270-V291 HydrophobicContact CD2-CG1 4.31Å; L270-V291 HydrophobicContact CD2-CG2 3.89Å; R289-V291 PolarHBondContact O-N 3.33Å; R289-V291 VanDerWaalsContact O-N 3.07Å; V291-D295 HydrophobicContact CG1-CB 4.07Å; V291-R296 HydrophobicContact CG1-CG 4.26Å; V291-R296 PolarHBondContact O-NH2 3.39Å | ||
| 292 | T | 85.4 | Confident | 81.3 | Confident | 75 Ų | 75 | 74.1 Ų | 74.1 | 46% | 0.46 | 42% | 0.419 | S | S | . | . | trans | -72.8 | 154.8 | 178.7 | -51.6 | 0 | 0 | 0 | 0 | 109.8 | D290 G294 D295 | D290-T292 PolarHBondContact O-N 3.25Å; T292-G294 PolarHBondContact O-N 2.97Å; T292-G294 VanDerWaalsContact O-N 3.12Å; T292-D295 WeakPolarHBondContact CA-OD2 3.3Å; T292-D295 WeakPolarHBondContact CB-OD2 3.47Å; T292-D295 PolarHBondContact N-OD2 3.38Å; T292-D295 WeakPolarHBondContact O-CB 3.19Å; T292-D295 PolarHBondContact O-N 3.16Å | ||
| 293 | E | 85.1 | Confident | 81.6 | Confident | 109 Ų | 109 | 79 Ų | 79 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61 | -22.4 | 175.8 | -167.9 | 55.2 | -153.2 | 0 | 0 | 113.1 | R296 | E293-R296 PolarHBondContact O-N 2.87Å; E293-R296 WeakPolarHBondContact OE2-CD 3.2Å; E293-R296 IonicContact OE2-CZ 3.02Å; E293-R296 IonicContact OE2-NE 2.79Å; E293-R296 IonicContact OE2-NH1 3.59Å; E293-R296 PolarHBondContact OE2-NH1 3.33Å |
| 294 | G | 83.9 | Confident | 81.9 | Confident | 48 Ų | 48 | 80.5 Ų | 80.5 | 50% | 0.495 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T292 R296 K297 | T292-G294 PolarHBondContact O-N 2.97Å; T292-G294 VanDerWaalsContact O-N 3.12Å; G294-R296 PolarHBondContact O-N 3.45Å; G294-K297 PolarHBondContact O-N 3.22Å |
| 295 | D | 85.8 | Confident | 82.2 | Confident | 34 Ų | 34 | 77.6 Ų | 77.6 | 18% | 0.182 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.4 | -24.5 | 179.7 | -56 | -68.4 | 0 | 0 | 0 | 111.7 | N217 R221 V291 T292 | N217-D295 CarbonylContact C-O 3.55Å; N217-D295 WeakPolarHBondContact CB-O 3.39Å; R221-D295 IonicContact CZ-OD1 3.93Å; R221-D295 IonicContact CZ-OD2 3.99Å; R221-D295 IonicContact NH1-OD1 2.89Å; R221-D295 PolarHBondContact NH1-OD1 3.47Å; R221-D295 IonicContact NH1-OD2 3.32Å; R221-D295 PolarHBondContact NH1-OD2 3.22Å; V291-D295 HydrophobicContact CG1-CB 4.07Å; T292-D295 WeakPolarHBondContact CA-OD2 3.3Å; T292-D295 WeakPolarHBondContact CB-OD2 3.47Å; T292-D295 PolarHBondContact N-OD2 3.38Å; T292-D295 WeakPolarHBondContact O-CB 3.19Å; T292-D295 PolarHBondContact O-N 3.16Å |
| 296 | R | 89.3 | Confident | 82.5 | Confident | 72 Ų | 72 | 86.5 Ų | 86.5 | 27% | 0.272 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73.8 | -29.4 | 173.4 | -60.5 | -168.2 | -177.8 | 84.4 | 17.4 | 112.4 | P214 N217 V291 E293 G294 G298 | P214-R296 HydrophobicContact CB-CB 4.02Å; N217-R296 WeakPolarHBondContact CB-O 3.3Å; N217-R296 PolarHBondContact ND2-O 2.86Å; V291-R296 HydrophobicContact CG1-CG 4.26Å; V291-R296 PolarHBondContact O-NH2 3.39Å; E293-R296 PolarHBondContact O-N 2.87Å; E293-R296 WeakPolarHBondContact OE2-CD 3.2Å; E293-R296 IonicContact OE2-CZ 3.02Å; E293-R296 IonicContact OE2-NE 2.79Å; E293-R296 IonicContact OE2-NH1 3.59Å; E293-R296 PolarHBondContact OE2-NH1 3.33Å; G294-R296 PolarHBondContact O-N 3.45Å; R296-G298 PolarHBondContact O-N 3.2Å |
| 297 | K | 85.6 | Confident | 83.2 | Confident | 168 Ų | 168 | 88.9 Ų | 88.9 | 73% | 0.73 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -82.8 | 62.1 | 175.6 | -64.1 | 179.6 | -177.4 | -178.4 | 0 | 110.8 | G294 | G294-K297 PolarHBondContact O-N 3.22Š|
| 298 | G | 85.6 | Confident | 84.6 | Confident | 30 Ų | 30 | 87.7 Ų | 87.7 | 31% | 0.309 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -91.6 | -170.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N217 R296 L300 | N217-G298 VanDerWaalsContact CG-CA 3.43Å; N217-G298 WeakPolarHBondContact ND2-CA 3.45Å; N217-G298 PolarHBondContact ND2-N 3.33Å; R296-G298 PolarHBondContact O-N 3.2Å; G298-L300 PolarHBondContact O-N 2.96Å |
| 299 | P | 90.4 | Very high | 86.1 | Confident | 76 Ų | 76 | 86 Ų | 86 | 49% | 0.494 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -71.1 | -13.9 | -174.3 | 27.9 | -33.7 | 0 | 0 | 0 | 114.3 | V176 V178 | V176-P299 HydrophobicContact CB-CG 4.29Å; V176-P299 VanDerWaalsContact O-CG 3.26Å; V176-P299 WeakPolarHBondContact O-CG 3.45Å; V178-P299 HydrophobicContact CG2-CB 3.94Å; V178-P299 HydrophobicContact CG2-CG 3.99Å |
| 300 | L | 93.3 | Very high | 87.4 | Confident | 9 Ų | 9 | 85.9 Ų | 85.9 | 5% | 0.047 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -83.5 | 120.8 | 170.4 | -61.2 | 173.5 | 0 | 0 | 0 | 110.4 | V176 V178 L200 F202 A213 F216 N217 A230 G298 | V176-L300 HydrophobicContact CG1-CD1 4.33Å; V178-L300 HydrophobicContact CG2-CD2 3.88Å; V178-L300 HydrophobicContact CG2-CG 4.42Å; L200-L300 HydrophobicContact CD2-CD1 3.74Å; F202-L300 HydrophobicContact CD1-CD2 4.13Å; F202-L300 HydrophobicContact CD2-CD2 4.4Å; F202-L300 HydrophobicContact CE1-CD2 3.72Å; F202-L300 HydrophobicContact CE2-CD2 4.02Å; F202-L300 HydrophobicContact CG-CD2 4.47Å; F202-L300 HydrophobicContact CZ-CD2 3.67Å; A213-L300 HydrophobicContact CB-CB 3.65Å; F216-L300 HydrophobicContact CB-CD1 4.29Å; F216-L300 HydrophobicContact CD1-CD1 3.71Å; F216-L300 HydrophobicContact CG-CD1 4.39Å; N217-L300 PolarHBondContact ND2-O 3.29Å; N217-L300 WeakPolarHBondContact OD1-CB 3.33Å; N217-L300 PolarHBondContact OD1-N 3.48Å; A230-L300 HydrophobicContact CB-CD1 4.02Å; A230-L300 HydrophobicContact CB-CD2 3.76Å; A230-L300 HydrophobicContact CB-CG 4.32Å; G298-L300 PolarHBondContact O-N 2.96Å |
| 301 | S | 90.6 | Very high | 88.4 | Confident | 71 Ų | 71 | 86.3 Ų | 86.3 | 50% | 0.497 | 47% | 0.473 | S | S | . | . | trans | -63.4 | 131.8 | 174.7 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | A213 I303 | A213-S301 VanDerWaalsContact CB-O 3.28Å; A213-S301 WeakPolarHBondContact CB-O 3.3Å; S301-I303 PolarHBondContact O-N 3.45Å; S301-I303 PolarHBondContact OG-N 3.01Å; S301-I303 VanDerWaalsContact OG-N 3.08Å; S301-I303 PolarHBondContact OG-O 2.92Å | ||
| 302 | S | 91.8 | Very high | 88.9 | Confident | 76 Ų | 76 | 90.4 Ų | 90.4 | 53% | 0.531 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -79.6 | -3.3 | 170.4 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | A210 | A210-S302 WeakPolarHBondContact CB-O 3.35Å; A210-S302 WeakPolarHBondContact O-CA 3.43Å |
| 303 | I | 91.9 | Very high | 89.3 | Confident | 122 Ų | 122 | 88.9 Ų | 88.9 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -117.4 | 128.4 | -178.2 | -55.9 | 171.8 | 0 | 0 | 0 | 108.4 | S301 V305 | S301-I303 PolarHBondContact O-N 3.45Å; S301-I303 PolarHBondContact OG-N 3.01Å; S301-I303 VanDerWaalsContact OG-N 3.08Å; S301-I303 PolarHBondContact OG-O 2.92Å; I303-V305 PolarHBondContact O-N 3.49Å |
| 304 | P | 92.5 | Very high | 89.8 | Confident | 45 Ų | 45 | 89.5 Ų | 89.5 | 29% | 0.292 | 49% | 0.486 | S | S | . | . | trans | -70.1 | 131.9 | 178.2 | 29.1 | -33.6 | 0 | 0 | 0 | 111 | A204 A210 R306 | A204-P304 CarbonylContact O-C 3.52Å; A204-P304 VanDerWaalsContact O-CA 3.31Å; A204-P304 WeakPolarHBondContact O-CA 3.37Å; A210-P304 HydrophobicContact CB-CB 4.25Å; A210-P304 HydrophobicContact CB-CG 4.48Å; P304-R306 PolarHBondContact O-N 3.37Å | ||
| 305 | V | 90.1 | Very high | 90.5 | Very high | 86 Ų | 86 | 90 Ų | 90 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | trans | -68 | 122.7 | 175.1 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | A204 W205 I303 G307 | A204-V305 HydrophobicContact CB-CB 4.24Å; A204-V305 HydrophobicContact CB-CG2 3.95Å; A204-V305 PolarHBondContact O-N 3Å; W205-V305 WeakPolarHBondContact CA-O 3.34Å; I303-V305 PolarHBondContact O-N 3.49Å; V305-G307 PolarHBondContact O-N 3.08Å | ||
| 306 | R | 86.6 | Confident | 91 | Very high | 210 Ų | 210 | 91.7 Ų | 91.7 | 79% | 0.792 | 49% | 0.489 | S | S | * | . | trans | -80.9 | 110.3 | 173.4 | -63 | 179.5 | -175.2 | 160.4 | -0.2 | 109.1 | E29 P304 | E29-R306 IonicContact OE1-NH1 3.64Å; E29-R306 PolarHBondContact OE1-NH1 3.36Å; P304-R306 PolarHBondContact O-N 3.37Å | ||
| 307 | G | 84 | Confident | 91.3 | Very high | 69 Ų | 69 | 92.6 Ų | 92.6 | 71% | 0.711 | 50% | 0.499 | S | S | * | . | trans | -94.6 | 146.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V305 | V305-G307 PolarHBondContact O-N 3.08Š| ||
| 308 | I | 87 | Confident | 91.9 | Very high | 107 Ų | 107 | 90.9 Ų | 90.9 | 55% | 0.549 | 49% | 0.492 | S | S | . | . | trans | -91.3 | 123 | 170.7 | -60.4 | 168.5 | 0 | 0 | 0 | 108 | W310 V313 | I308-W310 PolarHBondContact O-N 3.48Å; I308-W310 VanDerWaalsContact O-N 3.15Å; I308-V313 HydrophobicContact CG2-CG2 3.87Å | ||
| 309 | D | 90.2 | Very high | 92.4 | Very high | 95 Ų | 95 | 93.7 Ų | 93.7 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | trans | -76.9 | 98.4 | 170.2 | -175.6 | -16.4 | 0 | 0 | 0 | 109.6 | L311 L312 V313 | D309-L311 VanDerWaalsContact C-N 3.27Å; D309-L311 PolarHBondContact O-N 2.74Å; D309-L311 WeakPolarHBondContact OD1-CA 3.42Å; D309-L311 WeakPolarHBondContact OD1-CB 3.22Å; D309-L311 PolarHBondContact OD1-N 3.46Å; D309-L312 HydrophobicContact CB-CB 3.84Å; D309-L312 WeakPolarHBondContact O-CB 3.1Å; D309-L312 PolarHBondContact O-N 2.85Å; D309-L312 PolarHBondContact OD1-N 2.93Å; D309-V313 WeakPolarHBondContact O-CG2 3.32Å; D309-V313 PolarHBondContact O-N 2.99Å | ||
| 310 | W | 91.9 | Very high | 92.6 | Very high | 161 Ų | 161 | 92.8 Ų | 92.8 | 61% | 0.61 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.9 | -32 | 177.9 | -69.5 | 99.4 | 0 | 0 | 0 | 113.1 | I308 V313 F314 | I308-W310 PolarHBondContact O-N 3.48Å; I308-W310 VanDerWaalsContact O-N 3.15Å; W310-V313 PolarHBondContact O-N 3.45Å; W310-F314 HydrophobicContact CB-CD2 4.35Å; W310-F314 HydrophobicContact CB-CE2 4.09Å; W310-F314 HydrophobicContact CE3-CE2 4.39Å; W310-F314 HydrophobicContact CE3-CZ 4.32Å; W310-F314 WeakPolarHBondContact O-CB 3.27Å; W310-F314 WeakPolarHBondContact O-CD2 3.34Å; W310-F314 WeakPolarHBondContact O-CG 3.3Å; W310-F314 PolarHBondContact O-N 2.92Å |
| 311 | L | 93.1 | Very high | 92.8 | Very high | 138 Ų | 138 | 95 Ų | 95 | 72% | 0.723 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.8 | -39.9 | 177.1 | -65.3 | 174.4 | 0 | 0 | 0 | 110.6 | D309 F314 S315 | D309-L311 VanDerWaalsContact C-N 3.27Å; D309-L311 PolarHBondContact O-N 2.74Å; D309-L311 WeakPolarHBondContact OD1-CA 3.42Å; D309-L311 WeakPolarHBondContact OD1-CB 3.22Å; D309-L311 PolarHBondContact OD1-N 3.46Å; L311-F314 PolarHBondContact O-N 2.96Å; L311-S315 WeakPolarHBondContact O-CB 3.31Å; L311-S315 PolarHBondContact O-N 3.09Å |
| 312 | L | 92.3 | Very high | 93.1 | Very high | 98 Ų | 98 | 97.3 Ų | 97.3 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 172.2 | -176 | 64.8 | 0 | 0 | 0 | 111.3 | D309 S315 I316 | D309-L312 HydrophobicContact CB-CB 3.84Å; D309-L312 WeakPolarHBondContact O-CB 3.1Å; D309-L312 PolarHBondContact O-N 2.85Å; D309-L312 PolarHBondContact OD1-N 2.93Å; L312-S315 PolarHBondContact O-N 2.85Å; L312-I316 HydrophobicContact CD1-CD1 4.19Å; L312-I316 HydrophobicContact CG-CD1 3.97Å; L312-I316 VanDerWaalsContact O-CG1 3.3Å; L312-I316 WeakPolarHBondContact O-CG1 3.29Å; L312-I316 PolarHBondContact O-N 3.19Å |
| 313 | V | 94.5 | Very high | 93.2 | Very high | 42 Ų | 42 | 98 Ų | 98 | 26% | 0.255 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -50.3 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | I308 D309 W310 S315 I316 L317 | I308-V313 HydrophobicContact CG2-CG2 3.87Å; D309-V313 WeakPolarHBondContact O-CG2 3.32Å; D309-V313 PolarHBondContact O-N 2.99Å; W310-V313 PolarHBondContact O-N 3.45Å; V313-S315 VanDerWaalsContact C-N 3.33Å; V313-S315 PolarHBondContact O-N 2.67Å; V313-I316 PolarHBondContact O-N 3.27Å; V313-L317 HydrophobicContact CG1-CD1 4.06Å; V313-L317 WeakPolarHBondContact O-CG 3.16Å; V313-L317 PolarHBondContact O-N 3.4Å |
| 314 | F | 96.3 | Very high | 93.3 | Very high | 123 Ų | 123 | 95.2 Ų | 95.2 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 178.2 | -69.1 | -53 | 0 | 0 | 0 | 112.6 | W310 L311 L317 F318 | W310-F314 HydrophobicContact CB-CD2 4.35Å; W310-F314 HydrophobicContact CB-CE2 4.09Å; W310-F314 HydrophobicContact CE3-CE2 4.39Å; W310-F314 HydrophobicContact CE3-CZ 4.32Å; W310-F314 WeakPolarHBondContact O-CB 3.27Å; W310-F314 WeakPolarHBondContact O-CD2 3.34Å; W310-F314 WeakPolarHBondContact O-CG 3.3Å; W310-F314 PolarHBondContact O-N 2.92Å; L311-F314 PolarHBondContact O-N 2.96Å; F314-L317 HydrophobicContact CD1-CD1 4.48Å; F314-L317 PolarHBondContact O-N 2.6Å; F314-F318 WeakPolarHBondContact O-CB 3.42Å; F314-F318 PolarHBondContact O-N 3.49Å |
| 315 | S | 97.3 | Very high | 93.3 | Very high | 58 Ų | 58 | 99.1 Ų | 99.1 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 174.4 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | L311 L312 V313 L317 F318 I319 | L311-S315 WeakPolarHBondContact O-CB 3.31Å; L311-S315 PolarHBondContact O-N 3.09Å; L312-S315 PolarHBondContact O-N 2.85Å; V313-S315 VanDerWaalsContact C-N 3.33Å; V313-S315 PolarHBondContact O-N 2.67Å; S315-L317 PolarHBondContact O-N 3.38Å; S315-F318 PolarHBondContact O-N 3.4Å; S315-I319 VanDerWaalsContact O-CG1 3.3Å; S315-I319 WeakPolarHBondContact O-CG1 3.17Å; S315-I319 PolarHBondContact O-N 3.47Å |
| 316 | I | 95.9 | Very high | 93.4 | Very high | 69 Ų | 69 | 97.7 Ų | 97.7 | 35% | 0.354 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 176.2 | -68.3 | 165.9 | 0 | 0 | 0 | 111.1 | M23 L312 V313 F318 I319 T320 | M23-I316 HydrophobicContact CE-CG2 4.08Å; L312-I316 HydrophobicContact CD1-CD1 4.19Å; L312-I316 HydrophobicContact CG-CD1 3.97Å; L312-I316 VanDerWaalsContact O-CG1 3.3Å; L312-I316 WeakPolarHBondContact O-CG1 3.29Å; L312-I316 PolarHBondContact O-N 3.19Å; V313-I316 PolarHBondContact O-N 3.27Å; I316-F318 VanDerWaalsContact C-N 3.35Å; I316-F318 PolarHBondContact O-N 3.36Å; I316-I319 PolarHBondContact O-N 2.94Å; I316-T320 HydrophobicContact CG2-CG2 4.4Å; I316-T320 WeakPolarHBondContact O-CB 3.19Å; I316-T320 WeakPolarHBondContact O-CG2 3.47Å; I316-T320 PolarHBondContact O-N 3Å; I316-T320 PolarHBondContact O-OG1 2.97Å |
| 317 | L | 96.7 | Very high | 93.6 | Very high | 91 Ų | 91 | 91.2 Ų | 91.2 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 175.8 | -70 | 174.1 | 0 | 0 | 0 | 112.1 | V313 F314 S315 T320 A321 | V313-L317 HydrophobicContact CG1-CD1 4.06Å; V313-L317 WeakPolarHBondContact O-CG 3.16Å; V313-L317 PolarHBondContact O-N 3.4Å; F314-L317 HydrophobicContact CD1-CD1 4.48Å; F314-L317 PolarHBondContact O-N 2.6Å; S315-L317 PolarHBondContact O-N 3.38Å; L317-T320 WeakPolarHBondContact CA-OG1 3.29Å; L317-T320 PolarHBondContact O-OG1 3.3Å; L317-T320 VanDerWaalsContact O-OG1 3.08Å; L317-A321 VanDerWaalsContact O-CB 3.3Å; L317-A321 WeakPolarHBondContact O-CB 3.34Å; L317-A321 PolarHBondContact O-N 3.35Å |
| 318 | F | 97.3 | Very high | 93.8 | Very high | 132 Ų | 132 | 93.2 Ų | 93.2 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.9 | -47.9 | 176.2 | -178 | -94.1 | 0 | 0 | 0 | 111.9 | F314 S315 I316 A321 F322 | F314-F318 WeakPolarHBondContact O-CB 3.42Å; F314-F318 PolarHBondContact O-N 3.49Å; S315-F318 PolarHBondContact O-N 3.4Å; I316-F318 VanDerWaalsContact C-N 3.35Å; I316-F318 PolarHBondContact O-N 3.36Å; F318-A321 PolarHBondContact O-N 2.89Å; F318-F322 HydrophobicContact CD1-CD2 4.19Å; F318-F322 HydrophobicContact CD2-CD2 4.34Å; F318-F322 HydrophobicContact CD2-CE2 4.2Å; F318-F322 AromaticContact CE1-CD2 3.83Å; F318-F322 HydrophobicContact CE1-CD2 3.83Å; F318-F322 AromaticContact CE1-CE2 3.84Å; F318-F322 HydrophobicContact CE1-CE2 3.84Å; F318-F322 HydrophobicContact CE2-CD2 4Å; F318-F322 AromaticContact CE2-CE2 3.47Å; F318-F322 HydrophobicContact CE2-CE2 3.47Å; F318-F322 VanDerWaalsContact CE2-CE2 3.47Å; F318-F322 HydrophobicContact CE2-CZ 4.43Å; F318-F322 HydrophobicContact CG-CD2 4.43Å; F318-F322 AromaticContact CZ-CD2 3.74Å; F318-F322 HydrophobicContact CZ-CD2 3.74Å; F318-F322 AromaticContact CZ-CE2 3.26Å; F318-F322 HydrophobicContact CZ-CE2 3.26Å; F318-F322 AromaticContact CZ-CZ 3.96Å; F318-F322 HydrophobicContact CZ-CZ 3.96Å; F318-F322 PolarHBondContact O-N 3.44Å |
| 319 | I | 96.8 | Very high | 93.8 | Very high | 89 Ų | 89 | 95.6 Ų | 95.6 | 46% | 0.456 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 178.9 | -68 | 165.1 | 0 | 0 | 0 | 110.8 | S315 I316 A321 F322 I323 | S315-I319 VanDerWaalsContact O-CG1 3.3Å; S315-I319 WeakPolarHBondContact O-CG1 3.17Å; S315-I319 PolarHBondContact O-N 3.47Å; I316-I319 PolarHBondContact O-N 2.94Å; I319-A321 PolarHBondContact O-N 2.96Å; I319-F322 PolarHBondContact O-N 2.95Å; I319-I323 HydrophobicContact CG2-CD1 3.74Å; I319-I323 HydrophobicContact CG2-CG1 4.46Å; I319-I323 VanDerWaalsContact O-CG1 3.31Å; I319-I323 WeakPolarHBondContact O-CG1 3.46Å; I319-I323 PolarHBondContact O-N 2.78Å |
| 320 | T | 95.7 | Very high | 93.5 | Very high | 57 Ų | 57 | 93.9 Ų | 93.9 | 35% | 0.35 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 178.5 | 52.1 | 0 | 0 | 0 | 0 | 112 | I316 L317 F322 I323 V324 | I316-T320 HydrophobicContact CG2-CG2 4.4Å; I316-T320 WeakPolarHBondContact O-CB 3.19Å; I316-T320 WeakPolarHBondContact O-CG2 3.47Å; I316-T320 PolarHBondContact O-N 3Å; I316-T320 PolarHBondContact O-OG1 2.97Å; L317-T320 WeakPolarHBondContact CA-OG1 3.29Å; L317-T320 PolarHBondContact O-OG1 3.3Å; L317-T320 VanDerWaalsContact O-OG1 3.08Å; T320-F322 PolarHBondContact O-N 3.43Å; T320-I323 PolarHBondContact O-N 2.95Å; T320-V324 VanDerWaalsContact O-CG2 3.32Å; T320-V324 WeakPolarHBondContact O-CG2 3.34Å; T320-V324 PolarHBondContact O-N 2.73Å |
| 321 | A | 96.3 | Very high | 92.5 | Very high | 57 Ų | 57 | 88.2 Ų | 88.2 | 47% | 0.471 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L317 F318 I319 V324 Y325 | L317-A321 VanDerWaalsContact O-CB 3.3Å; L317-A321 WeakPolarHBondContact O-CB 3.34Å; L317-A321 PolarHBondContact O-N 3.35Å; F318-A321 PolarHBondContact O-N 2.89Å; I319-A321 PolarHBondContact O-N 2.96Å; A321-V324 PolarHBondContact O-N 2.99Å; A321-Y325 WeakPolarHBondContact O-CB 3.33Å; A321-Y325 PolarHBondContact O-N 2.97Å |
| 322 | F | 96.4 | Very high | 91.3 | Very high | 118 Ų | 118 | 85 Ų | 85 | 52% | 0.518 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 176.2 | -97.8 | -96.5 | 0 | 0 | 0 | 113 | F318 I319 T320 Y325 A326 | F318-F322 HydrophobicContact CD1-CD2 4.19Å; F318-F322 HydrophobicContact CD2-CD2 4.34Å; F318-F322 HydrophobicContact CD2-CE2 4.2Å; F318-F322 AromaticContact CE1-CD2 3.83Å; F318-F322 HydrophobicContact CE1-CD2 3.83Å; F318-F322 AromaticContact CE1-CE2 3.84Å; F318-F322 HydrophobicContact CE1-CE2 3.84Å; F318-F322 HydrophobicContact CE2-CD2 4Å; F318-F322 AromaticContact CE2-CE2 3.47Å; F318-F322 HydrophobicContact CE2-CE2 3.47Å; F318-F322 VanDerWaalsContact CE2-CE2 3.47Å; F318-F322 HydrophobicContact CE2-CZ 4.43Å; F318-F322 HydrophobicContact CG-CD2 4.43Å; F318-F322 AromaticContact CZ-CD2 3.74Å; F318-F322 HydrophobicContact CZ-CD2 3.74Å; F318-F322 AromaticContact CZ-CE2 3.26Å; F318-F322 HydrophobicContact CZ-CE2 3.26Å; F318-F322 AromaticContact CZ-CZ 3.96Å; F318-F322 HydrophobicContact CZ-CZ 3.96Å; F318-F322 PolarHBondContact O-N 3.44Å; I319-F322 PolarHBondContact O-N 2.95Å; T320-F322 PolarHBondContact O-N 3.43Å; F322-Y325 PolarHBondContact O-N 2.89Å; F322-A326 WeakPolarHBondContact O-CB 3.4Å; F322-A326 PolarHBondContact O-N 3.04Å |
| 323 | I | 94.6 | Very high | 89.9 | Confident | 90 Ų | 90 | 85.9 Ų | 85.9 | 46% | 0.462 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 175.2 | -69.5 | 166.6 | 0 | 0 | 0 | 110.4 | I319 T320 Y325 A326 I327 | I319-I323 HydrophobicContact CG2-CD1 3.74Å; I319-I323 HydrophobicContact CG2-CG1 4.46Å; I319-I323 VanDerWaalsContact O-CG1 3.31Å; I319-I323 WeakPolarHBondContact O-CG1 3.46Å; I319-I323 PolarHBondContact O-N 2.78Å; T320-I323 PolarHBondContact O-N 2.95Å; I323-Y325 PolarHBondContact O-N 3.37Å; I323-A326 PolarHBondContact O-N 3.19Å; I323-I327 HydrophobicContact CG2-CD1 3.81Å; I323-I327 VanDerWaalsContact O-CG1 3.3Å; I323-I327 WeakPolarHBondContact O-CG1 3.47Å; I323-I327 PolarHBondContact O-N 2.88Å |
| 324 | V | 94 | Very high | 88.4 | Confident | 64 Ų | 64 | 93.9 Ų | 93.9 | 39% | 0.388 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.5 | -46 | 176.7 | 170 | 0 | 0 | 0 | 0 | 111 | T320 A321 A326 I327 L328 | T320-V324 VanDerWaalsContact O-CG2 3.32Å; T320-V324 WeakPolarHBondContact O-CG2 3.34Å; T320-V324 PolarHBondContact O-N 2.73Å; A321-V324 PolarHBondContact O-N 2.99Å; V324-A326 PolarHBondContact O-N 3.34Å; V324-I327 PolarHBondContact O-N 3.4Å; V324-L328 HydrophobicContact CG1-CD1 3.92Å; V324-L328 HydrophobicContact CG1-CG 4.45Å; V324-L328 VanDerWaalsContact O-CG 3.29Å; V324-L328 WeakPolarHBondContact O-CG 3.32Å; V324-L328 PolarHBondContact O-N 3.18Å |
| 325 | Y | 93.4 | Very high | 86.7 | Confident | 128 Ų | 128 | 96.3 Ų | 96.3 | 50% | 0.502 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 176.3 | 175.8 | -105.6 | 0 | 0 | 0 | 112.5 | A321 F322 I323 L328 R329 | A321-Y325 WeakPolarHBondContact O-CB 3.33Å; A321-Y325 PolarHBondContact O-N 2.97Å; F322-Y325 PolarHBondContact O-N 2.89Å; I323-Y325 PolarHBondContact O-N 3.37Å; Y325-L328 PolarHBondContact O-N 3.39Å; Y325-R329 HydrophobicContact CD1-CG 4.3Å; Y325-R329 HydrophobicContact CD2-CG 4.19Å; Y325-R329 HydrophobicContact CE1-CG 3.88Å; Y325-R329 HydrophobicContact CE2-CG 3.74Å; Y325-R329 HydrophobicContact CG-CG 4.45Å; Y325-R329 WeakPolarHBondContact O-CB 3.41Å; Y325-R329 VanDerWaalsContact O-CG 3.27Å; Y325-R329 WeakPolarHBondContact O-CG 2.99Å; Y325-R329 PolarHBondContact O-N 3.22Å |
| 326 | A | 91.6 | Very high | 84.9 | Confident | 55 Ų | 55 | 99.7 Ų | 99.7 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | F322 I323 V324 R329 A330 | F322-A326 WeakPolarHBondContact O-CB 3.4Å; F322-A326 PolarHBondContact O-N 3.04Å; I323-A326 PolarHBondContact O-N 3.19Å; V324-A326 PolarHBondContact O-N 3.34Å; A326-R329 PolarHBondContact O-N 3.24Å; A326-A330 WeakPolarHBondContact O-CB 3.32Å; A326-A330 PolarHBondContact O-N 3.19Å |
| 327 | I | 90 | Very high | 83.2 | Confident | 74 Ų | 74 | 102.5 Ų | 102.5 | 38% | 0.379 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 175.7 | -68.2 | 165.8 | 0 | 0 | 0 | 110.4 | I323 V324 R329 A330 D331 | I323-I327 HydrophobicContact CG2-CD1 3.81Å; I323-I327 VanDerWaalsContact O-CG1 3.3Å; I323-I327 WeakPolarHBondContact O-CG1 3.47Å; I323-I327 PolarHBondContact O-N 2.88Å; V324-I327 PolarHBondContact O-N 3.4Å; I327-R329 VanDerWaalsContact C-N 3.32Å; I327-R329 PolarHBondContact O-N 3.25Å; I327-A330 PolarHBondContact O-N 2.89Å; I327-D331 WeakPolarHBondContact O-CB 3.02Å; I327-D331 PolarHBondContact O-N 3.01Å |
| 328 | L | 87.8 | Confident | 81.3 | Confident | 112 Ų | 112 | 103.3 Ų | 103.3 | 59% | 0.586 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.8 | -38.9 | 179 | -68.7 | 171.8 | 0 | 0 | 0 | 112.5 | V324 Y325 S332 | V324-L328 HydrophobicContact CG1-CD1 3.92Å; V324-L328 HydrophobicContact CG1-CG 4.45Å; V324-L328 VanDerWaalsContact O-CG 3.29Å; V324-L328 WeakPolarHBondContact O-CG 3.32Å; V324-L328 PolarHBondContact O-N 3.18Å; Y325-L328 PolarHBondContact O-N 3.39Å; L328-S332 PolarHBondContact O-N 3.28Å |
| 329 | R | 87.1 | Confident | 79.4 | Confident | 157 Ų | 157 | 99.8 Ų | 99.8 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.8 | -42.9 | 174.9 | -73.1 | -78.3 | -68.4 | -151.9 | -1.7 | 112.1 | Y325 A326 I327 S332 L333 | Y325-R329 HydrophobicContact CD1-CG 4.3Å; Y325-R329 HydrophobicContact CD2-CG 4.19Å; Y325-R329 HydrophobicContact CE1-CG 3.88Å; Y325-R329 HydrophobicContact CE2-CG 3.74Å; Y325-R329 HydrophobicContact CG-CG 4.45Å; Y325-R329 WeakPolarHBondContact O-CB 3.41Å; Y325-R329 VanDerWaalsContact O-CG 3.27Å; Y325-R329 WeakPolarHBondContact O-CG 2.99Å; Y325-R329 PolarHBondContact O-N 3.22Å; A326-R329 PolarHBondContact O-N 3.24Å; I327-R329 VanDerWaalsContact C-N 3.32Å; I327-R329 PolarHBondContact O-N 3.25Å; R329-S332 WeakPolarHBondContact O-CB 3.42Å; R329-S332 PolarHBondContact O-N 3.22Å; R329-L333 PolarHBondContact O-N 3.25Å |
| 330 | A | 84.6 | Confident | 77.4 | Confident | 59 Ų | 59 | 102.9 Ų | 102.9 | 49% | 0.488 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A326 I327 S332 L333 R334 | A326-A330 WeakPolarHBondContact O-CB 3.32Å; A326-A330 PolarHBondContact O-N 3.19Å; I327-A330 PolarHBondContact O-N 2.89Å; A330-S332 VanDerWaalsContact C-N 3.29Å; A330-S332 PolarHBondContact O-N 3.46Å; A330-L333 PolarHBondContact O-N 2.7Å; A330-R334 WeakPolarHBondContact O-CB 3.45Å; A330-R334 PolarHBondContact O-N 2.79Å |
| 331 | D | 71 | Confident | 75.6 | Confident | 42 Ų | 42 | 108.4 Ų | 108.4 | 23% | 0.225 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -64.4 | -31.7 | 176.4 | -111.1 | -33 | 0 | 0 | 0 | 113 | R6 I327 | R6-D331 IonicContact CZ-OD1 3.69Å; R6-D331 IonicContact NE-OD1 3.91Å; R6-D331 IonicContact NH2-OD1 2.72Å; R6-D331 PolarHBondContact NH2-OD1 3.19Å; I327-D331 WeakPolarHBondContact O-CB 3.02Å; I327-D331 PolarHBondContact O-N 3.01Å |
| 332 | S | 68.4 | Low | 73.5 | Confident | 71 Ų | 71 | 112 Ų | 112 | 50% | 0.497 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.9 | -45.1 | 172.4 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | L328 R329 A330 R334 W335 | L328-S332 PolarHBondContact O-N 3.28Å; R329-S332 WeakPolarHBondContact O-CB 3.42Å; R329-S332 PolarHBondContact O-N 3.22Å; A330-S332 VanDerWaalsContact C-N 3.29Å; A330-S332 PolarHBondContact O-N 3.46Å; S332-R334 PolarHBondContact O-N 2.92Å; S332-W335 PolarHBondContact O-N 3.35Å |
| 333 | L | 62.5 | Low | 71.4 | Confident | 116 Ų | 116 | 114.7 Ų | 114.7 | 61% | 0.607 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.4 | -36.3 | 179.6 | -159.7 | 71.2 | 0 | 0 | 0 | 112.2 | R329 A330 W335 L336 | R329-L333 PolarHBondContact O-N 3.25Å; A330-L333 PolarHBondContact O-N 2.7Å; L333-W335 PolarHBondContact O-N 3.49Å; L333-L336 PolarHBondContact O-N 3.31Å |
| 334 | R | 63.8 | Low | 69.5 | Low | 209 Ų | 209 | 118.8 Ų | 118.8 | 79% | 0.789 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -6 | 178.9 | -156.7 | 172.9 | 129 | 111.4 | 1.4 | 114 | A330 S332 | A330-R334 WeakPolarHBondContact O-CB 3.45Å; A330-R334 PolarHBondContact O-N 2.79Å; S332-R334 PolarHBondContact O-N 2.92Å |
| 335 | W | 59 | Low | 67.8 | Low | 175 Ų | 175 | 123.4 Ų | 123.4 | 66% | 0.663 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -21 | 167 | -103 | 111.9 | 0 | 0 | 0 | 113.3 | S332 L333 | S332-W335 PolarHBondContact O-N 3.35Å; L333-W335 PolarHBondContact O-N 3.49Å |
| 336 | L | 59.6 | Low | 65.7 | Low | 129 Ų | 129 | 128.1 Ų | 128.1 | 68% | 0.675 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -91.9 | -1.8 | -174.4 | -75.2 | 164.4 | 0 | 0 | 0 | 113.8 | L333 P338 | L333-L336 PolarHBondContact O-N 3.31Å; L336-P338 WeakPolarHBondContact O-CD 3.38Å |
| 337 | I | 61 | Low | 64.4 | Low | 128 Ų | 128 | 131.8 Ų | 131.8 | 66% | 0.656 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -108.5 | 91.7 | 168.4 | -53.5 | 174.4 | 0 | 0 | 0 | 106.6 | G339 | I337-G339 PolarHBondContact O-N 3.44Š|
| 338 | P | 57.3 | Low | 63.1 | Low | 107 Ų | 107 | 134.8 Ų | 134.8 | 70% | 0.695 | 67% | 0.674 | S | S | * | * | trans | -55.2 | 137 | 162 | -16.8 | 29.9 | 0 | 0 | 0 | 107.7 | L336 Q340 | L336-P338 WeakPolarHBondContact O-CD 3.38Å; P338-Q340 PolarHBondContact O-N 2.81Å; P338-Q340 VanDerWaalsContact O-N 3.1Å | ||
| 339 | G | 57.1 | Low | 61.7 | Low | 58 Ų | 58 | 136.1 Ų | 136.1 | 60% | 0.598 | 68% | 0.679 | S | S | * | * | trans | -55.9 | 122.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | I337 E341 | I337-G339 PolarHBondContact O-N 3.44Å; G339-E341 PolarHBondContact O-N 3.1Å | ||
| 340 | Q | 54.3 | Low | 60.2 | Low | 155 Ų | 155 | 134.9 Ų | 134.9 | 72% | 0.724 | 68% | 0.684 | S | S | * | * | trans | -71.3 | 73.4 | 161.4 | -173.4 | 172 | -11.4 | 0 | 0 | 106.4 | P338 H342 | P338-Q340 PolarHBondContact O-N 2.81Å; P338-Q340 VanDerWaalsContact O-N 3.1Å; Q340-H342 PolarHBondContact NE2-CE1 2.9Å; Q340-H342 PolarHBondContact NE2-NE2 3.4Å; Q340-H342 PolarHBondContact O-N 2.83Å | ||
| 341 | E | 57.3 | Low | 58.7 | Low | 173 Ų | 173 | 139.6 Ų | 139.6 | 81% | 0.808 | 70% | 0.697 | S | S | * | * | trans | -68.2 | 79.9 | 169.5 | -68.1 | -177.3 | -161.9 | 0 | 0 | 106.4 | G339 E343 | G339-E341 PolarHBondContact O-N 3.1Å; E341-E343 PolarHBondContact O-N 2.94Å | ||
| 342 | H | 53.5 | Low | 57.9 | Low | 133 Ų | 133 | 146.1 Ų | 146.1 | 62% | 0.616 | 73% | 0.728 | S | S | * | * | trans | -68.6 | 90.9 | 162.5 | -83.8 | -19.9 | 0 | 0 | 0 | 107.5 | Q340 H344 | Q340-H342 PolarHBondContact NE2-CE1 2.9Å; Q340-H342 PolarHBondContact NE2-NE2 3.4Å; Q340-H342 PolarHBondContact O-N 2.83Å; H342-H344 PolarHBondContact O-N 2.84Å | ||
| 343 | E | 52.3 | Low | 57.1 | Low | 173 Ų | 173 | 151.5 Ų | 151.5 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | -53.6 | 89.6 | 154.1 | -67.7 | -177.6 | 113.6 | 0 | 0 | 108.1 | E341 Q345 | E341-E343 PolarHBondContact O-N 2.94Å; E343-Q345 PolarHBondContact O-N 2.99Å | ||
| 344 | H | 54.8 | Low | 56.7 | Low | 177 Ų | 177 | 154.2 Ų | 154.2 | 82% | 0.819 | 76% | 0.755 | S | S | * | * | trans | -74.1 | 83.4 | 158.1 | -85.6 | -63.8 | 0 | 0 | 0 | 107.6 | H342 D346 | H342-H344 PolarHBondContact O-N 2.84Å; H344-D346 PolarHBondContact O-N 3.44Å | ||
| 345 | Q | 56.8 | Low | 56.1 | Low | 161 Ų | 161 | 149.7 Ų | 149.7 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | -78.8 | 102.9 | 160.4 | -179.8 | 167.9 | -12.1 | 0 | 0 | 107.8 | E343 | E343-Q345 PolarHBondContact O-N 2.99Š| ||
| 346 | D | 50.8 | Low | 55.9 | Low | 227 Ų | 227 | 147.4 Ų | 147.4 | 100% | 1.214 | 76% | 0.761 | S | S | * | * | trans | 176.3 | 0 | 134.9 | -83.4 | -20 | 0 | 0 | 0 | 110.7 | H344 | H344-D346 PolarHBondContact O-N 3.44Š|
Retrieved 346 of 346 residues in 1191.3 ms
(Link to these results)