| 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 | 36 | Very low | 39.6 | Very low | 202 Ų | 202 | 99.5 Ų | 99.5 | 100% | 0.995 | 59% | 0.594 | S | S | * | * | 0 | -33.6 | 0 | -72.4 | -137 | -98.3 | 0 | 0 | 112.9 | E3 A4 H5 | M1-E3 PolarHBondContact O-N 3.15Å; M1-A4 WeakPolarHBondContact O-CB 3.3Å; M1-A4 PolarHBondContact O-N 3.2Å; M1-A4 VanDerWaalsContact O-N 3.07Å; M1-H5 PolarHBondContact O-N 2.87Å | |||
| 2 | A | 29.1 | Very low | 40.7 | Very low | 89 Ų | 89 | 104.3 Ų | 104.3 | 74% | 0.736 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -57.5 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A4 H5 | A2-A4 VanDerWaalsContact C-N 3.28Å; A2-A4 PolarHBondContact O-N 3.23Å; A2-H5 PolarHBondContact O-N 3.47Å |
| 3 | E | 31.1 | Very low | 42.2 | Very low | 174 Ų | 174 | 102.4 Ų | 102.4 | 81% | 0.813 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72 | -18.3 | 175.9 | -68.4 | -179.4 | 161.4 | 0 | 0 | 114.1 | M1 S6 | M1-E3 PolarHBondContact O-N 3.15Å; E3-S6 PolarHBondContact O-OG 3.49Å |
| 4 | A | 37.3 | Very low | 43.3 | Very low | 64 Ų | 64 | 105 Ų | 105 | 53% | 0.529 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -78.8 | -27.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1 A2 V8 | M1-A4 WeakPolarHBondContact O-CB 3.3Å; M1-A4 PolarHBondContact O-N 3.2Å; M1-A4 VanDerWaalsContact O-N 3.07Å; A2-A4 VanDerWaalsContact C-N 3.28Å; A2-A4 PolarHBondContact O-N 3.23Å; A4-V8 VanDerWaalsContact O-CG2 3.28Å; A4-V8 WeakPolarHBondContact O-CG2 3.48Å |
| 5 | H | 35.6 | Very low | 45 | Very low | 149 Ų | 149 | 102.3 Ų | 102.3 | 69% | 0.69 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73.7 | -34.9 | 176.2 | -87.9 | -93.3 | 0 | 0 | 0 | 112.7 | M1 A2 A7 V8 | M1-H5 PolarHBondContact O-N 2.87Å; A2-H5 PolarHBondContact O-N 3.47Å; H5-A7 PolarHBondContact O-N 2.91Å; H5-V8 PolarHBondContact O-N 3.22Å |
| 6 | S | 36 | Very low | 46.6 | Very low | 93 Ų | 93 | 107 Ų | 107 | 65% | 0.65 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -13.9 | 175.6 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | E3 | E3-S6 PolarHBondContact O-OG 3.49Š|
| 7 | A | 39.4 | Very low | 47.8 | Very low | 72 Ų | 72 | 109.1 Ų | 109.1 | 60% | 0.595 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -6.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | H5 A9 | H5-A7 PolarHBondContact O-N 2.91Å; A7-A9 PolarHBondContact O-N 3.06Å |
| 8 | V | 41.4 | Very low | 48.6 | Very low | 82 Ų | 82 | 104.9 Ų | 104.9 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | trans | -83.9 | 107.4 | 178.7 | -157.9 | 0 | 0 | 0 | 0 | 108.4 | A4 H5 F10 | A4-V8 VanDerWaalsContact O-CG2 3.28Å; A4-V8 WeakPolarHBondContact O-CG2 3.48Å; H5-V8 PolarHBondContact O-N 3.22Å; V8-F10 WeakPolarHBondContact CG1-O 3.4Å; V8-F10 PolarHBondContact O-N 2.85Å | ||
| 9 | A | 49.2 | Very low | 49.4 | Very low | 20 Ų | 20 | 104.8 Ų | 104.8 | 17% | 0.165 | 60% | 0.599 | C | S | . | * | S | Bend | trans | -56.3 | -15.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | A7 L27 | A7-A9 PolarHBondContact O-N 3.06Å; A9-L27 VanDerWaalsContact CA-CD2 3.5Å; A9-L27 HydrophobicContact CB-CD2 3.36Å |
| 10 | F | 47.7 | Very low | 49.6 | Very low | 114 Ų | 114 | 101.8 Ų | 101.8 | 50% | 0.5 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -136.2 | 107.8 | -176.6 | -58.4 | -79.2 | 0 | 0 | 0 | 108.9 | V8 I21 L28 | V8-F10 WeakPolarHBondContact CG1-O 3.4Å; V8-F10 PolarHBondContact O-N 2.85Å; F10-I21 HydrophobicContact CD1-CG2 4.08Å; F10-L28 HydrophobicContact CE1-CD2 4.48Å; F10-L28 HydrophobicContact CZ-CD2 4.12Å |
| 11 | G | 52.8 | Low | 50.1 | Low | 35 Ų | 35 | 101.8 Ų | 101.8 | 36% | 0.361 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.9 | 114.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | I21 N22 | G11-I21 WeakPolarHBondContact O-CA 3.5Å; G11-N22 PolarHBondContact N-O 2.98Å; G11-N22 PolarHBondContact O-N 3.21Å |
| 12 | F | 52.6 | Low | 51.3 | Low | 157 Ų | 157 | 98.1 Ų | 98.1 | 69% | 0.689 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 118.8 | 166.6 | 63.3 | -87.1 | 0 | 0 | 0 | 108.1 | ||
| 13 | T | 60.8 | Low | 53 | Low | 80 Ų | 80 | 99.6 Ų | 99.6 | 49% | 0.491 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 114.3 | 170.2 | 23 | 0 | 0 | 0 | 0 | 108.1 | T15 S20 | T13-T15 PolarHBondContact O-N 2.8Å; T13-S20 WeakPolarHBondContact CB-OG 3.36Å; T13-S20 PolarHBondContact N-O 3.4Å; T13-S20 PolarHBondContact O-N 2.67Å; T13-S20 PolarHBondContact O-OG 2.98Å; T13-S20 PolarHBondContact OG1-OG 3.43Å |
| 14 | I | 56.8 | Low | 54.9 | Low | 139 Ų | 139 | 95.4 Ų | 95.4 | 71% | 0.713 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 108.9 | 172 | -58 | 174.3 | 0 | 0 | 0 | 106.4 | ||
| 15 | T | 68.9 | Low | 56.7 | Low | 64 Ų | 64 | 99.5 Ų | 99.5 | 39% | 0.393 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 165.9 | 172.8 | 58.6 | 0 | 0 | 0 | 0 | 109.5 | T13 D17 G18 | T13-T15 PolarHBondContact O-N 2.8Å; T15-D17 PolarHBondContact O-N 2.9Å; T15-G18 PolarHBondContact N-O 3.48Å; T15-G18 PolarHBondContact O-N 3.33Å; T15-G18 PolarHBondContact OG1-O 3.25Å |
| 16 | H | 71.3 | Confident | 58.3 | Low | 178 Ų | 178 | 99.6 Ų | 99.6 | 82% | 0.824 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.8 | 177.3 | 53.9 | -83.1 | 0 | 0 | 0 | 112.6 | G18 | H16-G18 VanDerWaalsContact C-N 3.35Š|
| 17 | D | 66.1 | Low | 59.8 | Low | 142 Ų | 142 | 97.7 Ų | 97.7 | 76% | 0.759 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 4.4 | 176.6 | -63.4 | -28.3 | 0 | 0 | 0 | 114 | T15 | T15-D17 PolarHBondContact O-N 2.9Š|
| 18 | G | 62.2 | Low | 61.5 | Low | 35 Ų | 35 | 96.5 Ų | 96.5 | 36% | 0.361 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 119.4 | -168.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T15 H16 S20 | T15-G18 PolarHBondContact N-O 3.48Å; T15-G18 PolarHBondContact O-N 3.33Å; T15-G18 PolarHBondContact OG1-O 3.25Å; H16-G18 VanDerWaalsContact C-N 3.35Å; G18-S20 PolarHBondContact O-N 2.95Å |
| 19 | V | 63.6 | Low | 63.1 | Low | 102 Ų | 102 | 99.1 Ų | 99.1 | 62% | 0.618 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 113 | -177.9 | -177 | 0 | 0 | 0 | 0 | 109.7 | I21 | V19-I21 HydrophobicContact CG1-CG1 4.09Å |
| 20 | S | 54.1 | Low | 64.2 | Low | 45 Ų | 45 | 102.2 Ų | 102.2 | 32% | 0.315 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.1 | 169.6 | 60.1 | 0 | 0 | 0 | 0 | 109.6 | T13 G18 | T13-S20 WeakPolarHBondContact CB-OG 3.36Å; T13-S20 PolarHBondContact N-O 3.4Å; T13-S20 PolarHBondContact O-N 2.67Å; T13-S20 PolarHBondContact O-OG 2.98Å; T13-S20 PolarHBondContact OG1-OG 3.43Å; G18-S20 PolarHBondContact O-N 2.95Å |
| 21 | I | 60.9 | Low | 65.6 | Low | 102 Ų | 102 | 99.6 Ų | 99.6 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 107.8 | 176.8 | -56.9 | 175.6 | 0 | 0 | 0 | 107.2 | F10 G11 V19 Y23 | F10-I21 HydrophobicContact CD1-CG2 4.08Å; G11-I21 WeakPolarHBondContact O-CA 3.5Å; V19-I21 HydrophobicContact CG1-CG1 4.09Å; I21-Y23 HydrophobicContact CG2-CD1 4.23Å |
| 22 | N | 60.1 | Low | 66.9 | Low | 125 Ų | 125 | 101.1 Ų | 101.1 | 67% | 0.668 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.7 | 170.6 | -162.8 | -5.5 | 0 | 0 | 0 | 108.6 | G11 | G11-N22 PolarHBondContact N-O 2.98Å; G11-N22 PolarHBondContact O-N 3.21Å |
| 23 | Y | 64.7 | Low | 68.1 | Low | 119 Ų | 119 | 99 Ų | 99 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 139 | -179.3 | 58.7 | -95.6 | 0 | 0 | 0 | 110.4 | I21 Q25 L28 | I21-Y23 HydrophobicContact CG2-CD1 4.23Å; Y23-Q25 HydrophobicContact CD2-CG 4.47Å; Y23-Q25 HydrophobicContact CE2-CG 4.17Å; Y23-L28 HydrophobicContact CD2-CD1 3.27Å; Y23-L28 HydrophobicContact CD2-CG 4.48Å; Y23-L28 HydrophobicContact CE2-CD1 3.9Å; Y23-L28 HydrophobicContact CG-CD1 3.91Å |
| 24 | D | 71.5 | Confident | 68.8 | Low | 87 Ų | 87 | 97.3 Ų | 97.3 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | trans | -83.2 | 117.7 | 175.9 | -176.2 | -27.3 | 0 | 0 | 0 | 109.7 | E26 L27 L28 | D24-E26 VanDerWaalsContact C-N 3.33Å; D24-E26 PolarHBondContact O-N 3.18Å; D24-E26 WeakPolarHBondContact OD1-CB 3.49Å; D24-E26 PolarHBondContact OD1-N 3.43Å; D24-L27 HydrophobicContact CB-CB 3.83Å; D24-L27 PolarHBondContact O-N 2.91Å; D24-L27 PolarHBondContact OD1-N 3.27Å; D24-L28 PolarHBondContact O-N 3.35Å | ||
| 25 | Q | 74.2 | Confident | 70 | Confident | 149 Ų | 149 | 95.8 Ų | 95.8 | 70% | 0.696 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.8 | -34.9 | -179.7 | -69.2 | -173.4 | -6.7 | 0 | 0 | 113 | Y23 K29 | Y23-Q25 HydrophobicContact CD2-CG 4.47Å; Y23-Q25 HydrophobicContact CE2-CG 4.17Å; Q25-K29 WeakPolarHBondContact O-CB 3.1Å; Q25-K29 PolarHBondContact O-N 2.55Å |
| 26 | E | 69.6 | Low | 70.8 | Confident | 151 Ų | 151 | 97.9 Ų | 97.9 | 71% | 0.706 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.3 | -43.1 | 176.8 | -69.7 | -159.2 | 149.9 | 0 | 0 | 110.6 | D24 L28 K29 V30 | D24-E26 VanDerWaalsContact C-N 3.33Å; D24-E26 PolarHBondContact O-N 3.18Å; D24-E26 WeakPolarHBondContact OD1-CB 3.49Å; D24-E26 PolarHBondContact OD1-N 3.43Å; E26-L28 PolarHBondContact O-N 3.35Å; E26-K29 WeakPolarHBondContact O-CB 3.28Å; E26-K29 PolarHBondContact O-N 2.88Å; E26-V30 WeakPolarHBondContact O-CG2 3.38Å; E26-V30 PolarHBondContact O-N 2.84Å |
| 27 | L | 67.4 | Low | 71.1 | Confident | 54 Ų | 54 | 91.2 Ų | 91.2 | 28% | 0.283 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 178.5 | -156.9 | 116.4 | 0 | 0 | 0 | 111.4 | A9 D24 K29 V30 V31 | A9-L27 VanDerWaalsContact CA-CD2 3.5Å; A9-L27 HydrophobicContact CB-CD2 3.36Å; D24-L27 HydrophobicContact CB-CB 3.83Å; D24-L27 PolarHBondContact O-N 2.91Å; D24-L27 PolarHBondContact OD1-N 3.27Å; L27-K29 VanDerWaalsContact C-N 3.33Å; L27-K29 PolarHBondContact O-N 3.27Å; L27-V30 PolarHBondContact O-N 3.12Å; L27-V31 HydrophobicContact CD2-CG2 4.41Å; L27-V31 WeakPolarHBondContact O-CB 3.33Å; L27-V31 VanDerWaalsContact O-CG2 3.27Å; L27-V31 WeakPolarHBondContact O-CG2 3.43Å; L27-V31 PolarHBondContact O-N 3.46Å |
| 28 | L | 75.4 | Confident | 71.7 | Confident | 47 Ų | 47 | 87.7 Ų | 87.7 | 25% | 0.246 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -58.9 | -43 | 171.9 | -81.4 | 174 | 0 | 0 | 0 | 112 | F10 Y23 D24 E26 V30 V31 C32 | F10-L28 HydrophobicContact CE1-CD2 4.48Å; F10-L28 HydrophobicContact CZ-CD2 4.12Å; Y23-L28 HydrophobicContact CD2-CD1 3.27Å; Y23-L28 HydrophobicContact CD2-CG 4.48Å; Y23-L28 HydrophobicContact CE2-CD1 3.9Å; Y23-L28 HydrophobicContact CG-CD1 3.91Å; D24-L28 PolarHBondContact O-N 3.35Å; E26-L28 PolarHBondContact O-N 3.35Å; L28-V30 VanDerWaalsContact C-N 3.33Å; L28-V30 PolarHBondContact O-N 3.29Å; L28-V31 PolarHBondContact O-N 3.3Å; L28-C32 WeakPolarHBondContact O-CB 3.25Å; L28-C32 PolarHBondContact O-N 2.94Å; L28-C32 PolarHBondContact O-SG 3.35Å |
| 29 | K | 74.6 | Confident | 72.8 | Confident | 137 Ų | 137 | 93.7 Ų | 93.7 | 60% | 0.596 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.8 | -42.9 | 176.5 | -171.4 | 178.1 | -179.4 | 179.9 | 0 | 111.2 | Q25 E26 L27 Q33 | Q25-K29 WeakPolarHBondContact O-CB 3.1Å; Q25-K29 PolarHBondContact O-N 2.55Å; E26-K29 WeakPolarHBondContact O-CB 3.28Å; E26-K29 PolarHBondContact O-N 2.88Å; L27-K29 VanDerWaalsContact C-N 3.33Å; L27-K29 PolarHBondContact O-N 3.27Å; K29-Q33 WeakPolarHBondContact O-CB 3.45Å; K29-Q33 VanDerWaalsContact O-CG 3.24Å; K29-Q33 WeakPolarHBondContact O-CG 3.28Å; K29-Q33 PolarHBondContact O-N 3.27Å |
| 30 | V | 73.8 | Confident | 73.9 | Confident | 84 Ų | 84 | 96 Ų | 96 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | E26 L27 L28 T34 | E26-V30 WeakPolarHBondContact O-CG2 3.38Å; E26-V30 PolarHBondContact O-N 2.84Å; L27-V30 PolarHBondContact O-N 3.12Å; L28-V30 VanDerWaalsContact C-N 3.33Å; L28-V30 PolarHBondContact O-N 3.29Å; V30-T34 VanDerWaalsContact O-CB 3.31Å; V30-T34 WeakPolarHBondContact O-CB 3.23Å; V30-T34 PolarHBondContact O-N 2.94Å; V30-T34 PolarHBondContact O-OG1 3.41Å |
| 31 | V | 77 | Confident | 75.1 | Confident | 60 Ų | 60 | 97.1 Ų | 97.1 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -49.9 | 175.8 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | L27 L28 Q33 T34 L35 | L27-V31 HydrophobicContact CD2-CG2 4.41Å; L27-V31 WeakPolarHBondContact O-CB 3.33Å; L27-V31 VanDerWaalsContact O-CG2 3.27Å; L27-V31 WeakPolarHBondContact O-CG2 3.43Å; L27-V31 PolarHBondContact O-N 3.46Å; L28-V31 PolarHBondContact O-N 3.3Å; V31-Q33 PolarHBondContact O-N 2.87Å; V31-T34 WeakPolarHBondContact O-CB 3.48Å; V31-T34 PolarHBondContact O-N 3.46Å; V31-T34 VanDerWaalsContact O-N 3.14Å; V31-L35 HydrophobicContact CG1-CD1 3.96Å; V31-L35 HydrophobicContact CG1-CG 4.33Å; V31-L35 WeakPolarHBondContact O-CG 3.31Å; V31-L35 PolarHBondContact O-N 2.85Å |
| 32 | C | 80.1 | Confident | 76.3 | Confident | 66 Ų | 66 | 101 Ų | 101 | 45% | 0.446 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 177.9 | -76.3 | 0 | 0 | 0 | 0 | 112.4 | L28 T34 L35 L36 | L28-C32 WeakPolarHBondContact O-CB 3.25Å; L28-C32 PolarHBondContact O-N 2.94Å; L28-C32 PolarHBondContact O-SG 3.35Å; C32-T34 VanDerWaalsContact C-N 3.28Å; C32-T34 PolarHBondContact O-N 2.95Å; C32-L35 PolarHBondContact O-N 3.47Å; C32-L36 WeakPolarHBondContact O-CB 3.35Å; C32-L36 VanDerWaalsContact O-CG 3.3Å; C32-L36 WeakPolarHBondContact O-CG 3.41Å; C32-L36 PolarHBondContact O-N 3.18Å |
| 33 | Q | 77.6 | Confident | 77.7 | Confident | 112 Ų | 112 | 98.3 Ų | 98.3 | 52% | 0.523 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.7 | -39.7 | 174.8 | -75.2 | 178.1 | 3 | 0 | 0 | 111.9 | K29 V31 R37 | K29-Q33 WeakPolarHBondContact O-CB 3.45Å; K29-Q33 VanDerWaalsContact O-CG 3.24Å; K29-Q33 WeakPolarHBondContact O-CG 3.28Å; K29-Q33 PolarHBondContact O-N 3.27Å; V31-Q33 PolarHBondContact O-N 2.87Å; Q33-R37 VanDerWaalsContact O-CB 3.23Å; Q33-R37 WeakPolarHBondContact O-CB 3.41Å; Q33-R37 PolarHBondContact O-N 3.19Å |
| 34 | T | 75.6 | Confident | 78.7 | Confident | 46 Ų | 46 | 94.9 Ų | 94.9 | 28% | 0.282 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 176.7 | -63 | 0 | 0 | 0 | 0 | 111.6 | V30 V31 C32 R37 N38 | V30-T34 VanDerWaalsContact O-CB 3.31Å; V30-T34 WeakPolarHBondContact O-CB 3.23Å; V30-T34 PolarHBondContact O-N 2.94Å; V30-T34 PolarHBondContact O-OG1 3.41Å; V31-T34 WeakPolarHBondContact O-CB 3.48Å; V31-T34 PolarHBondContact O-N 3.46Å; V31-T34 VanDerWaalsContact O-N 3.14Å; C32-T34 VanDerWaalsContact C-N 3.28Å; C32-T34 PolarHBondContact O-N 2.95Å; T34-R37 PolarHBondContact O-N 2.96Å; T34-N38 WeakPolarHBondContact O-CB 3.37Å; T34-N38 PolarHBondContact O-N 2.99Å; T34-N38 PolarHBondContact O-ND2 3.47Å |
| 35 | L | 81.7 | Confident | 79.4 | Confident | 107 Ų | 107 | 95.9 Ų | 95.9 | 56% | 0.56 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.1 | -50.4 | 175.6 | -72.3 | 173.8 | 0 | 0 | 0 | 111.6 | V31 C32 R37 N38 Y39 | V31-L35 HydrophobicContact CG1-CD1 3.96Å; V31-L35 HydrophobicContact CG1-CG 4.33Å; V31-L35 WeakPolarHBondContact O-CG 3.31Å; V31-L35 PolarHBondContact O-N 2.85Å; C32-L35 PolarHBondContact O-N 3.47Å; L35-R37 VanDerWaalsContact C-N 3.28Å; L35-R37 PolarHBondContact O-N 3.28Å; L35-N38 PolarHBondContact O-N 3.36Å; L35-Y39 WeakPolarHBondContact O-CB 3.44Å; L35-Y39 PolarHBondContact O-N 3.41Å |
| 36 | L | 84.7 | Confident | 80.2 | Confident | 108 Ų | 108 | 95.7 Ų | 95.7 | 57% | 0.565 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -56.3 | -43.3 | 177.3 | -77.4 | 168.2 | 0 | 0 | 0 | 111.7 | C32 K40 | C32-L36 WeakPolarHBondContact O-CB 3.35Å; C32-L36 VanDerWaalsContact O-CG 3.3Å; C32-L36 WeakPolarHBondContact O-CG 3.41Å; C32-L36 PolarHBondContact O-N 3.18Å; L36-K40 WeakPolarHBondContact O-CB 3.3Å; L36-K40 WeakPolarHBondContact O-CG 3.44Å; L36-K40 PolarHBondContact O-N 3.03Å |
| 37 | R | 77.2 | Confident | 81.2 | Confident | 38 Ų | 38 | 95.5 Ų | 95.5 | 14% | 0.143 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -66.8 | -47.3 | 178.2 | -175.4 | -166.5 | 80.8 | -152.5 | 5.4 | 112.4 | Q33 T34 L35 Y39 K40 R41 D324 | Q33-R37 VanDerWaalsContact O-CB 3.23Å; Q33-R37 WeakPolarHBondContact O-CB 3.41Å; Q33-R37 PolarHBondContact O-N 3.19Å; T34-R37 PolarHBondContact O-N 2.96Å; L35-R37 VanDerWaalsContact C-N 3.28Å; L35-R37 PolarHBondContact O-N 3.28Å; R37-Y39 PolarHBondContact O-N 3.4Å; R37-K40 PolarHBondContact O-N 2.66Å; R37-R41 PolarHBondContact O-N 2.87Å; R37-D324 IonicContact CZ-OD2 2.87Å; R37-D324 IonicContact NH2-OD2 3.93Å; R37-D324 PolarHBondContact NH2-OD2 2.99Å; R37-D324 VanDerWaalsContact NH2-OD2 3.13Å |
| 38 | N | 80.6 | Confident | 82.3 | Confident | 67 Ų | 67 | 94.2 Ų | 94.2 | 36% | 0.358 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 177.9 | -72.3 | -12 | 0 | 0 | 0 | 110.5 | T34 L35 R41 R42 | T34-N38 WeakPolarHBondContact O-CB 3.37Å; T34-N38 PolarHBondContact O-N 2.99Å; T34-N38 PolarHBondContact O-ND2 3.47Å; L35-N38 PolarHBondContact O-N 3.36Å; N38-R41 PolarHBondContact O-N 3.1Å; N38-R42 WeakPolarHBondContact O-CB 3.47Å; N38-R42 PolarHBondContact O-N 3.3Å |
| 39 | Y | 85.4 | Confident | 83 | Confident | 161 Ų | 161 | 96.2 Ų | 96.2 | 63% | 0.631 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.9 | -51.9 | 173.8 | -173.8 | -98.2 | 0 | 0 | 0 | 112.1 | L35 R37 R41 R42 V43 | L35-Y39 WeakPolarHBondContact O-CB 3.44Å; L35-Y39 PolarHBondContact O-N 3.41Å; R37-Y39 PolarHBondContact O-N 3.4Å; Y39-R41 PolarHBondContact O-N 3.43Å; Y39-R42 WeakPolarHBondContact O-CB 3.31Å; Y39-R42 PolarHBondContact O-N 3.39Å; Y39-V43 HydrophobicContact CD1-CG2 4.04Å; Y39-V43 HydrophobicContact CE1-CG2 3.63Å; Y39-V43 HydrophobicContact CE2-CG2 4.33Å; Y39-V43 WeakPolarHBondContact O-CG2 3.43Å; Y39-V43 PolarHBondContact O-N 3.29Å |
| 40 | K | 84.9 | Confident | 83.8 | Confident | 152 Ų | 152 | 93.9 Ų | 93.9 | 66% | 0.661 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -53.1 | -42.2 | 175.9 | -78 | 179.7 | -179.3 | -177 | 0 | 112.1 | L36 R37 A44 | L36-K40 WeakPolarHBondContact O-CB 3.3Å; L36-K40 WeakPolarHBondContact O-CG 3.44Å; L36-K40 PolarHBondContact O-N 3.03Å; R37-K40 PolarHBondContact O-N 2.66Å; K40-A44 WeakPolarHBondContact O-CB 3.44Å; K40-A44 PolarHBondContact O-N 3.41Å |
| 41 | R | 80.1 | Confident | 84.5 | Confident | 68 Ų | 68 | 96.4 Ų | 96.4 | 26% | 0.257 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.9 | -38.7 | 175.9 | -74.8 | -173.7 | 174.6 | -169 | 3.3 | 113.1 | R37 N38 Y39 V43 A44 R45 D324 | R37-R41 PolarHBondContact O-N 2.87Å; N38-R41 PolarHBondContact O-N 3.1Å; Y39-R41 PolarHBondContact O-N 3.43Å; R41-V43 VanDerWaalsContact C-N 3.33Å; R41-A44 PolarHBondContact O-N 3.39Å; R41-R45 WeakPolarHBondContact O-CB 3.38Å; R41-R45 WeakPolarHBondContact O-CG 3.41Å; R41-R45 PolarHBondContact O-N 2.87Å; R41-D324 IonicContact CZ-OD1 3.63Å; R41-D324 IonicContact NH1-OD1 3.13Å; R41-D324 PolarHBondContact NH1-OD1 3.04Å; R41-D324 IonicContact NH1-OD2 2.82Å; R41-D324 PolarHBondContact NH1-OD2 2.9Å; R41-D324 IonicContact NH2-OD1 3.92Å |
| 42 | R | 85.1 | Confident | 85.1 | Confident | 184 Ų | 184 | 94 Ų | 94 | 69% | 0.694 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.1 | -43.7 | 175 | -170.7 | 175.6 | -176.7 | 172.5 | 0.2 | 110.7 | N38 Y39 R45 F46 | N38-R42 WeakPolarHBondContact O-CB 3.47Å; N38-R42 PolarHBondContact O-N 3.3Å; Y39-R42 WeakPolarHBondContact O-CB 3.31Å; Y39-R42 PolarHBondContact O-N 3.39Å; R42-R45 PolarHBondContact O-N 3.3Å; R42-F46 VanDerWaalsContact O-CB 3.29Å; R42-F46 WeakPolarHBondContact O-CB 3.17Å; R42-F46 PolarHBondContact O-N 2.96Å |
| 43 | V | 89.6 | Confident | 85.5 | Confident | 68 Ų | 68 | 92.3 Ų | 92.3 | 41% | 0.412 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 174.6 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | Y39 R41 F46 K47 | Y39-V43 HydrophobicContact CD1-CG2 4.04Å; Y39-V43 HydrophobicContact CE1-CG2 3.63Å; Y39-V43 HydrophobicContact CE2-CG2 4.33Å; Y39-V43 WeakPolarHBondContact O-CG2 3.43Å; Y39-V43 PolarHBondContact O-N 3.29Å; R41-V43 VanDerWaalsContact C-N 3.33Å; V43-F46 PolarHBondContact O-N 3.05Å; V43-K47 WeakPolarHBondContact O-CB 3.26Å; V43-K47 PolarHBondContact O-N 2.9Å |
| 44 | A | 87.3 | Confident | 86.1 | Confident | 47 Ų | 47 | 87.3 Ų | 87.3 | 39% | 0.388 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K40 R41 K47 N48 | K40-A44 WeakPolarHBondContact O-CB 3.44Å; K40-A44 PolarHBondContact O-N 3.41Å; R41-A44 PolarHBondContact O-N 3.39Å; A44-K47 PolarHBondContact O-N 3.48Å; A44-N48 WeakPolarHBondContact O-CB 3.2Å; A44-N48 VanDerWaalsContact O-CG 3.29Å; A44-N48 PolarHBondContact O-N 2.93Å |
| 45 | R | 86.4 | Confident | 86.7 | Confident | 108 Ų | 108 | 85.7 Ų | 85.7 | 41% | 0.408 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 174.5 | -76.1 | -171 | -68.3 | 170.8 | -1.9 | 111.7 | R41 R42 N48 N49 N323 | R41-R45 WeakPolarHBondContact O-CB 3.38Å; R41-R45 WeakPolarHBondContact O-CG 3.41Å; R41-R45 PolarHBondContact O-N 2.87Å; R42-R45 PolarHBondContact O-N 3.3Å; R45-N48 PolarHBondContact O-N 3.23Å; R45-N49 VanDerWaalsContact O-CB 3.28Å; R45-N49 WeakPolarHBondContact O-CB 3.26Å; R45-N49 PolarHBondContact O-N 2.9Å; R45-N49 PolarHBondContact O-ND2 3.16Å; R45-N323 PolarHBondContact NH1-OD1 3.09Å |
| 46 | F | 89.3 | Confident | 86.9 | Confident | 144 Ų | 144 | 81.3 Ų | 81.3 | 63% | 0.632 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59.9 | -47.1 | 175.2 | 177.2 | -97.7 | 0 | 0 | 0 | 111.3 | R42 V43 N48 N49 F50 | R42-F46 VanDerWaalsContact O-CB 3.29Å; R42-F46 WeakPolarHBondContact O-CB 3.17Å; R42-F46 PolarHBondContact O-N 2.96Å; V43-F46 PolarHBondContact O-N 3.05Å; F46-N48 VanDerWaalsContact C-N 3.35Å; F46-N48 PolarHBondContact O-N 2.96Å; F46-N49 PolarHBondContact O-N 3.48Å; F46-F50 VanDerWaalsContact O-CB 3.24Å; F46-F50 WeakPolarHBondContact O-CB 3.45Å; F46-F50 PolarHBondContact O-N 3.43Å |
| 47 | K | 91 | Very high | 87.1 | Confident | 147 Ų | 147 | 77 Ų | 77 | 64% | 0.639 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.9 | -45.6 | 175.8 | -179.5 | -178.4 | 177.2 | -179.4 | 0 | 111.9 | V43 A44 F50 R51 | V43-K47 WeakPolarHBondContact O-CB 3.26Å; V43-K47 PolarHBondContact O-N 2.9Å; A44-K47 PolarHBondContact O-N 3.48Å; K47-F50 PolarHBondContact O-N 3.36Å; K47-R51 WeakPolarHBondContact O-CB 3.33Å; K47-R51 PolarHBondContact O-N 3.39Å |
| 48 | N | 91 | Very high | 87.5 | Confident | 28 Ų | 28 | 77.2 Ų | 77.2 | 15% | 0.15 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 179.7 | -72.5 | -5.9 | 0 | 0 | 0 | 111.8 | A44 R45 F46 F50 R51 S52 M159 R284 | A44-N48 WeakPolarHBondContact O-CB 3.2Å; A44-N48 VanDerWaalsContact O-CG 3.29Å; A44-N48 PolarHBondContact O-N 2.93Å; R45-N48 PolarHBondContact O-N 3.23Å; F46-N48 VanDerWaalsContact C-N 3.35Å; F46-N48 PolarHBondContact O-N 2.96Å; N48-F50 VanDerWaalsContact C-N 3.32Å; N48-F50 PolarHBondContact O-N 2.93Å; N48-R51 PolarHBondContact O-N 3.35Å; N48-S52 WeakPolarHBondContact O-CB 3.33Å; N48-S52 PolarHBondContact O-N 2.68Å; N48-S52 PolarHBondContact O-OG 2.93Å; N48-M159 HydrophobicContact CB-CE 3.67Å; N48-R284 PolarHBondContact ND2-O 3.41Å |
| 49 | N | 90.8 | Very high | 87.8 | Confident | 88 Ų | 88 | 77.2 Ų | 77.2 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | 175.8 | -71.9 | -10.7 | 0 | 0 | 0 | 112.2 | R45 F46 S52 G53 Q285 | R45-N49 VanDerWaalsContact O-CB 3.28Å; R45-N49 WeakPolarHBondContact O-CB 3.26Å; R45-N49 PolarHBondContact O-N 2.9Å; R45-N49 PolarHBondContact O-ND2 3.16Å; F46-N49 PolarHBondContact O-N 3.48Å; N49-S52 WeakPolarHBondContact CA-OG 3.32Å; N49-S52 PolarHBondContact O-OG 2.99Å; N49-G53 WeakPolarHBondContact O-CA 3.29Å; N49-G53 PolarHBondContact O-N 3.44Å; N49-Q285 PolarHBondContact OD1-NE2 2.88Å |
| 50 | F | 90.1 | Very high | 88 | Confident | 88 Ų | 88 | 76.7 Ų | 76.7 | 39% | 0.386 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.7 | -50.8 | 173.7 | -178.3 | -101.1 | 0 | 0 | 0 | 110.5 | F46 K47 N48 S52 G53 I54 W111 | F46-F50 VanDerWaalsContact O-CB 3.24Å; F46-F50 WeakPolarHBondContact O-CB 3.45Å; F46-F50 PolarHBondContact O-N 3.43Å; K47-F50 PolarHBondContact O-N 3.36Å; N48-F50 VanDerWaalsContact C-N 3.32Å; N48-F50 PolarHBondContact O-N 2.93Å; F50-S52 PolarHBondContact O-N 3.46Å; F50-G53 PolarHBondContact O-N 3.36Å; F50-G53 VanDerWaalsContact O-N 3.15Å; F50-I54 HydrophobicContact CD1-CD1 4.36Å; F50-I54 HydrophobicContact CD2-CG2 4.47Å; F50-I54 HydrophobicContact CE1-CD1 3.98Å; F50-I54 HydrophobicContact CE1-CG2 4.41Å; F50-I54 HydrophobicContact CE2-CG2 4.14Å; F50-I54 HydrophobicContact CZ-CG2 4.11Å; F50-I54 WeakPolarHBondContact O-CG1 3.29Å; F50-I54 WeakPolarHBondContact O-CG2 3.5Å; F50-I54 PolarHBondContact O-N 2.88Å; F50-W111 AromaticContact CZ-CH2 3.94Å; F50-W111 HydrophobicContact CZ-CH2 3.94Å; F50-W111 HydrophobicContact CZ-CZ3 4.22Å |
| 51 | R | 88.8 | Confident | 88.2 | Confident | 137 Ų | 137 | 71.1 Ų | 71.1 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 178.8 | -176.5 | 174.7 | 174.9 | -167.8 | 1.3 | 112.5 | K47 N48 I54 M159 | K47-R51 WeakPolarHBondContact O-CB 3.33Å; K47-R51 PolarHBondContact O-N 3.39Å; N48-R51 PolarHBondContact O-N 3.35Å; R51-I54 WeakPolarHBondContact O-CG1 3.48Å; R51-M159 HydrophobicContact CB-SD 3.91Å; R51-M159 VanDerWaalsContact CD-SD 3.54Å; R51-M159 HydrophobicContact CG-SD 3.69Å |
| 52 | S | 89.7 | Confident | 88.8 | Confident | 11 Ų | 11 | 70 Ų | 70 | 8% | 0.077 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.6 | -32 | 176 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | N48 N49 F50 I54 Y55 Q285 | N48-S52 WeakPolarHBondContact O-CB 3.33Å; N48-S52 PolarHBondContact O-N 2.68Å; N48-S52 PolarHBondContact O-OG 2.93Å; N49-S52 WeakPolarHBondContact CA-OG 3.32Å; N49-S52 PolarHBondContact O-OG 2.99Å; F50-S52 PolarHBondContact O-N 3.46Å; S52-I54 PolarHBondContact O-N 3.04Å; S52-Y55 WeakPolarHBondContact O-CB 3.35Å; S52-Y55 PolarHBondContact O-N 2.95Å; S52-Q285 PolarHBondContact OG-OE1 3.43Å; S52-Q285 VanDerWaalsContact OG-OE1 3.05Å |
| 53 | G | 88.5 | Confident | 89.2 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.6 | -27.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N49 F50 R119 | N49-G53 WeakPolarHBondContact O-CA 3.29Å; N49-G53 PolarHBondContact O-N 3.44Å; F50-G53 PolarHBondContact O-N 3.36Å; F50-G53 VanDerWaalsContact O-N 3.15Å; G53-R119 PolarHBondContact O-NH1 2.83Å |
| 54 | I | 89.8 | Confident | 89.3 | Confident | 8 Ų | 8 | 69.8 Ų | 69.8 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -6.9 | 179.3 | 66.6 | 174.1 | 0 | 0 | 0 | 113.6 | F50 R51 S52 A57 P59 W111 V115 | F50-I54 HydrophobicContact CD1-CD1 4.36Å; F50-I54 HydrophobicContact CD2-CG2 4.47Å; F50-I54 HydrophobicContact CE1-CD1 3.98Å; F50-I54 HydrophobicContact CE1-CG2 4.41Å; F50-I54 HydrophobicContact CE2-CG2 4.14Å; F50-I54 HydrophobicContact CZ-CG2 4.11Å; F50-I54 WeakPolarHBondContact O-CG1 3.29Å; F50-I54 WeakPolarHBondContact O-CG2 3.5Å; F50-I54 PolarHBondContact O-N 2.88Å; R51-I54 WeakPolarHBondContact O-CG1 3.48Å; S52-I54 PolarHBondContact O-N 3.04Å; I54-A57 WeakPolarHBondContact O-CA 3.3Å; I54-A57 VanDerWaalsContact O-CB 3.25Å; I54-A57 WeakPolarHBondContact O-CB 3.45Å; I54-A57 PolarHBondContact O-N 3.26Å; I54-P59 HydrophobicContact CD1-CG 3.98Å; I54-W111 HydrophobicContact CB-CH2 4.19Å; I54-W111 HydrophobicContact CB-CZ2 4.39Å; I54-W111 HydrophobicContact CD1-CH2 3.97Å; I54-W111 HydrophobicContact CD1-CZ2 4.01Å; I54-W111 HydrophobicContact CG2-CH2 3.72Å; I54-W111 HydrophobicContact CG2-CZ2 4.4Å; I54-W111 HydrophobicContact CG2-CZ3 4.4Å; I54-V115 HydrophobicContact CB-CG1 4.27Å |
| 55 | Y | 88.9 | Confident | 89.6 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 136.3 | 178.7 | -177.5 | -86.7 | 0 | 0 | 0 | 111.2 | S52 R119 L154 H156 P158 F163 | S52-Y55 WeakPolarHBondContact O-CB 3.35Å; S52-Y55 PolarHBondContact O-N 2.95Å; Y55-R119 WeakPolarHBondContact O-CG 3.14Å; Y55-L154 HydrophobicContact CE1-CD2 4.22Å; Y55-H156 HydrophobicContact CE2-CB 4.22Å; Y55-P158 HydrophobicContact CE2-CB 4.06Å; Y55-F163 HydrophobicContact CD1-CD1 4.37Å; Y55-F163 HydrophobicContact CD1-CE1 4.28Å; Y55-F163 AromaticContact CE1-CD1 3.86Å; Y55-F163 HydrophobicContact CE1-CD1 3.86Å; Y55-F163 AromaticContact CE1-CE1 3.36Å; Y55-F163 HydrophobicContact CE1-CE1 3.36Å; Y55-F163 AromaticContact CE1-CZ 3.94Å; Y55-F163 HydrophobicContact CE1-CZ 3.94Å; Y55-F163 AromaticContact CZ-CE1 3.86Å; Y55-F163 AromaticContact CZ-CZ 3.98Å |
| 56 | P | 86.7 | Confident | 89.9 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -87.1 | 2.4 | 12 | 38.4 | -40.5 | 0 | 0 | 0 | 115 | L118 I122 I153 | P56-L118 HydrophobicContact CG-CB 4.37Å; P56-L118 HydrophobicContact CG-CD1 4.49Å; P56-I122 HydrophobicContact CB-CD1 4.36Å; P56-I122 HydrophobicContact CG-CD1 3.69Å; P56-I153 HydrophobicContact CG-CG2 4.38Å |
| 57 | A | 88 | Confident | 90.1 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 16% | 0.157 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -72.5 | 163.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | I54 V115 | I54-A57 WeakPolarHBondContact O-CA 3.3Å; I54-A57 VanDerWaalsContact O-CB 3.25Å; I54-A57 WeakPolarHBondContact O-CB 3.45Å; I54-A57 PolarHBondContact O-N 3.26Å; A57-V115 HydrophobicContact CB-CG2 3.62Å |
| 58 | S | 86.6 | Confident | 90.2 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | trans | -118.8 | 158.7 | 177.5 | 72.4 | 0 | 0 | 0 | 0 | 110.5 | Q60 S61 | S58-Q60 PolarHBondContact O-N 2.88Å; S58-Q60 VanDerWaalsContact O-N 3.16Å; S58-Q60 PolarHBondContact OG-N 2.9Å; S58-S61 PolarHBondContact O-N 3.3Å; S58-S61 PolarHBondContact O-OG 3.41Å; S58-S61 PolarHBondContact OG-N 3.01Å | ||
| 59 | P | 85.9 | Confident | 90.2 | Very high | 68 Ų | 68 | 59.5 Ų | 59.5 | 44% | 0.442 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.8 | -25.6 | 171.6 | -24.2 | 35.3 | 0 | 0 | 0 | 113 | I54 S61 L62 | I54-P59 HydrophobicContact CD1-CG 3.98Å; P59-S61 VanDerWaalsContact C-N 3.31Å; P59-L62 WeakPolarHBondContact O-CB 3.34Å; P59-L62 PolarHBondContact O-N 3.27Å |
| 60 | Q | 89.1 | Confident | 90.3 | Very high | 149 Ų | 149 | 57.8 Ų | 57.8 | 70% | 0.696 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.5 | -29.9 | 175.4 | -65 | 170.4 | -14.6 | 0 | 0 | 112 | S58 L62 L63 F64 | S58-Q60 PolarHBondContact O-N 2.88Å; S58-Q60 VanDerWaalsContact O-N 3.16Å; S58-Q60 PolarHBondContact OG-N 2.9Å; Q60-L62 VanDerWaalsContact C-N 3.25Å; Q60-L62 PolarHBondContact O-N 3.41Å; Q60-L63 WeakPolarHBondContact O-CB 3.45Å; Q60-L63 PolarHBondContact O-N 3.44Å; Q60-F64 PolarHBondContact O-N 2.84Å |
| 61 | S | 90.7 | Very high | 90.3 | Very high | 35 Ų | 35 | 56.4 Ų | 56.4 | 25% | 0.245 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.4 | -24.7 | 176.4 | 72.3 | 0 | 0 | 0 | 0 | 112.6 | S58 P59 F64 T65 W111 | S58-S61 PolarHBondContact O-N 3.3Å; S58-S61 PolarHBondContact O-OG 3.41Å; S58-S61 PolarHBondContact OG-N 3.01Å; P59-S61 VanDerWaalsContact C-N 3.31Å; S61-F64 PolarHBondContact O-N 3.28Å; S61-T65 PolarHBondContact O-N 3.39Å; S61-T65 PolarHBondContact O-OG1 3.16Å; S61-W111 PolarHBondContact OG-NE1 3.43Å |
| 62 | L | 92.2 | Very high | 90.4 | Very high | 44 Ų | 44 | 54 Ų | 54 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66 | -45 | 169.8 | 175.4 | 61.1 | 0 | 0 | 0 | 111.3 | P59 Q60 F64 T65 L66 I108 W111 | P59-L62 WeakPolarHBondContact O-CB 3.34Å; P59-L62 PolarHBondContact O-N 3.27Å; Q60-L62 VanDerWaalsContact C-N 3.25Å; Q60-L62 PolarHBondContact O-N 3.41Å; L62-F64 VanDerWaalsContact C-N 3.27Å; L62-F64 PolarHBondContact O-N 3.28Å; L62-T65 PolarHBondContact O-N 3.42Å; L62-L66 WeakPolarHBondContact O-CB 3.37Å; L62-L66 PolarHBondContact O-N 2.89Å; L62-I108 HydrophobicContact CD1-CG1 4.09Å; L62-W111 HydrophobicContact CB-CD2 3.89Å; L62-W111 HydrophobicContact CB-CE3 4.37Å; L62-W111 HydrophobicContact CB-CG 4.15Å; L62-W111 HydrophobicContact CB-CZ2 4.08Å; L62-W111 HydrophobicContact CD1-CB 3.82Å; L62-W111 HydrophobicContact CD1-CD2 3.86Å; L62-W111 HydrophobicContact CD1-CE3 3.98Å; L62-W111 HydrophobicContact CD1-CG 3.8Å; L62-W111 HydrophobicContact CD2-CE3 4.45Å; L62-W111 HydrophobicContact CD2-CZ3 4.46Å; L62-W111 HydrophobicContact CG-CD2 4.36Å; L62-W111 HydrophobicContact CG-CE3 4.49Å |
| 63 | L | 92.3 | Very high | 90.2 | Very high | 110 Ų | 110 | 57.3 Ų | 57.3 | 58% | 0.576 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.2 | -40 | 175.8 | -68.3 | 173.7 | 0 | 0 | 0 | 111 | Q60 L66 M67 | Q60-L63 WeakPolarHBondContact O-CB 3.45Å; Q60-L63 PolarHBondContact O-N 3.44Å; L63-L66 WeakPolarHBondContact O-CB 3.5Å; L63-L66 PolarHBondContact O-N 2.91Å; L63-M67 WeakPolarHBondContact O-CB 3.41Å; L63-M67 VanDerWaalsContact O-CG 3.26Å; L63-M67 WeakPolarHBondContact O-CG 3.33Å; L63-M67 PolarHBondContact O-N 3.1Å |
| 64 | F | 92.8 | Very high | 90.1 | Very high | 139 Ų | 139 | 63.1 Ų | 63.1 | 61% | 0.61 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.5 | -48.3 | 174.3 | -179 | -97.9 | 0 | 0 | 0 | 112 | Q60 S61 L62 L66 M67 L68 | Q60-F64 PolarHBondContact O-N 2.84Å; S61-F64 PolarHBondContact O-N 3.28Å; L62-F64 VanDerWaalsContact C-N 3.27Å; L62-F64 PolarHBondContact O-N 3.28Å; F64-L66 VanDerWaalsContact C-N 3.3Å; F64-L66 PolarHBondContact O-N 3Å; F64-M67 PolarHBondContact O-N 3.21Å; F64-L68 HydrophobicContact CE1-CD1 3.94Å; F64-L68 HydrophobicContact CZ-CD1 4.07Å; F64-L68 VanDerWaalsContact O-CB 3.26Å; F64-L68 WeakPolarHBondContact O-CB 3.45Å; F64-L68 PolarHBondContact O-N 3.43Å |
| 65 | T | 92.6 | Very high | 90 | Very high | 24 Ų | 24 | 65.4 Ų | 65.4 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 175.6 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | S61 L62 L68 V69 L110 W111 | S61-T65 PolarHBondContact O-N 3.39Å; S61-T65 PolarHBondContact O-OG1 3.16Å; L62-T65 PolarHBondContact O-N 3.42Å; T65-L68 PolarHBondContact O-N 3.33Å; T65-V69 HydrophobicContact CG2-CG2 4.48Å; T65-V69 WeakPolarHBondContact O-CG2 3.27Å; T65-V69 PolarHBondContact O-N 2.96Å; T65-L110 HydrophobicContact CG2-CD2 4.14Å; T65-L110 HydrophobicContact CG2-CG 4.49Å; T65-W111 HydrophobicContact CG2-CB 4.32Å |
| 66 | L | 93.4 | Very high | 89.8 | Confident | 40 Ų | 40 | 74.2 Ų | 74.2 | 21% | 0.209 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61 | -50.9 | 178 | -173 | 83.1 | 0 | 0 | 0 | 111.7 | L62 L63 F64 L68 V69 Y70 A104 | L62-L66 WeakPolarHBondContact O-CB 3.37Å; L62-L66 PolarHBondContact O-N 2.89Å; L63-L66 WeakPolarHBondContact O-CB 3.5Å; L63-L66 PolarHBondContact O-N 2.91Å; F64-L66 VanDerWaalsContact C-N 3.3Å; F64-L66 PolarHBondContact O-N 3Å; L66-L68 VanDerWaalsContact C-N 3.28Å; L66-L68 PolarHBondContact O-N 3.37Å; L66-V69 PolarHBondContact O-N 2.85Å; L66-Y70 HydrophobicContact CD1-CD2 4.34Å; L66-Y70 HydrophobicContact CD1-CE2 3.7Å; L66-Y70 HydrophobicContact CD2-CD2 4.38Å; L66-Y70 HydrophobicContact CD2-CE2 3.89Å; L66-Y70 HydrophobicContact CG-CD2 3.79Å; L66-Y70 HydrophobicContact CG-CE2 3.5Å; L66-Y70 WeakPolarHBondContact O-CD2 3.49Å; L66-Y70 PolarHBondContact O-N 3.4Å; L66-A104 HydrophobicContact CD1-CB 3.96Å |
| 67 | M | 93.1 | Very high | 89.7 | Confident | 128 Ų | 128 | 80.2 Ų | 80.2 | 63% | 0.631 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.3 | -39.5 | 178.4 | -73.2 | -61.4 | -65.4 | 0 | 0 | 111.6 | L63 F64 Y70 A71 | L63-M67 WeakPolarHBondContact O-CB 3.41Å; L63-M67 VanDerWaalsContact O-CG 3.26Å; L63-M67 WeakPolarHBondContact O-CG 3.33Å; L63-M67 PolarHBondContact O-N 3.1Å; F64-M67 PolarHBondContact O-N 3.21Å; M67-Y70 PolarHBondContact O-N 2.91Å; M67-A71 VanDerWaalsContact O-CB 3.28Å; M67-A71 WeakPolarHBondContact O-CB 3.38Å; M67-A71 PolarHBondContact O-N 3.29Å |
| 68 | L | 93 | Very high | 89.5 | Confident | 62 Ų | 62 | 82 Ų | 82 | 33% | 0.325 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.2 | -53.3 | 177 | -172.6 | 140.9 | 0 | 0 | 0 | 110.5 | F64 T65 L66 Y70 A71 F72 L79 | F64-L68 HydrophobicContact CE1-CD1 3.94Å; F64-L68 HydrophobicContact CZ-CD1 4.07Å; F64-L68 VanDerWaalsContact O-CB 3.26Å; F64-L68 WeakPolarHBondContact O-CB 3.45Å; F64-L68 PolarHBondContact O-N 3.43Å; T65-L68 PolarHBondContact O-N 3.33Å; L66-L68 VanDerWaalsContact C-N 3.28Å; L66-L68 PolarHBondContact O-N 3.37Å; L68-Y70 VanDerWaalsContact C-N 3.28Å; L68-Y70 PolarHBondContact O-N 2.89Å; L68-A71 PolarHBondContact O-N 3.23Å; L68-A71 VanDerWaalsContact O-N 3.16Å; L68-F72 HydrophobicContact CD1-CE2 4.28Å; L68-F72 HydrophobicContact CD2-CD2 3.7Å; L68-F72 HydrophobicContact CD2-CE2 3.73Å; L68-F72 HydrophobicContact CG-CD2 3.84Å; L68-F72 HydrophobicContact CG-CE2 3.71Å; L68-F72 VanDerWaalsContact O-CD2 3.23Å; L68-F72 WeakPolarHBondContact O-CD2 3.31Å; L68-F72 PolarHBondContact O-N 3.24Å; L68-L79 HydrophobicContact CD2-CD1 3.62Å |
| 69 | V | 92.1 | Very high | 89.1 | Confident | 4 Ų | 4 | 83.2 Ų | 83.2 | 2% | 0.024 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58 | -41.1 | 178.2 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | T65 L66 R73 I84 C103 Y106 S107 | T65-V69 HydrophobicContact CG2-CG2 4.48Å; T65-V69 WeakPolarHBondContact O-CG2 3.27Å; T65-V69 PolarHBondContact O-N 2.96Å; L66-V69 PolarHBondContact O-N 2.85Å; V69-R73 WeakPolarHBondContact O-CB 3.47Å; V69-R73 PolarHBondContact O-N 2.86Å; V69-I84 HydrophobicContact CG1-CD1 4.19Å; V69-C103 HydrophobicContact CG1-CB 4.17Å; V69-Y106 HydrophobicContact CG1-CD1 4.13Å; V69-Y106 HydrophobicContact CG2-CD1 4.16Å; V69-Y106 HydrophobicContact CG2-CE1 4.18Å; V69-S107 WeakPolarHBondContact CB-OG 3.33Å; V69-S107 WeakPolarHBondContact CG2-OG 3.3Å |
| 70 | Y | 91.6 | Very high | 89 | Confident | 52 Ų | 52 | 80 Ų | 80 | 20% | 0.204 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 175.2 | -79.3 | -49.8 | 0 | 0 | 0 | 113.2 | L66 M67 L68 F72 R73 L74 L100 C103 | L66-Y70 HydrophobicContact CD1-CD2 4.34Å; L66-Y70 HydrophobicContact CD1-CE2 3.7Å; L66-Y70 HydrophobicContact CD2-CD2 4.38Å; L66-Y70 HydrophobicContact CD2-CE2 3.89Å; L66-Y70 HydrophobicContact CG-CD2 3.79Å; L66-Y70 HydrophobicContact CG-CE2 3.5Å; L66-Y70 WeakPolarHBondContact O-CD2 3.49Å; L66-Y70 PolarHBondContact O-N 3.4Å; M67-Y70 PolarHBondContact O-N 2.91Å; L68-Y70 VanDerWaalsContact C-N 3.28Å; L68-Y70 PolarHBondContact O-N 2.89Å; Y70-F72 VanDerWaalsContact C-N 3.33Å; Y70-F72 PolarHBondContact O-N 2.94Å; Y70-R73 PolarHBondContact O-N 3.24Å; Y70-L74 WeakPolarHBondContact O-CB 3.34Å; Y70-L74 WeakPolarHBondContact O-CG 3.4Å; Y70-L74 PolarHBondContact O-N 3.29Å; Y70-L100 HydrophobicContact CD1-CD2 4.13Å; Y70-L100 HydrophobicContact CE1-CB 4.45Å; Y70-L100 HydrophobicContact CE1-CD2 3.48Å; Y70-L100 VanDerWaalsContact CE1-CD2 3.48Å; Y70-L100 PolarHBondContact OH-O 2.95Å; Y70-C103 HydrophobicContact CD1-CB 3.88Å; Y70-C103 HydrophobicContact CE1-CB 3.43Å; Y70-C103 VanDerWaalsContact CE1-CB 3.43Å |
| 71 | A | 91 | Very high | 88.8 | Confident | 58 Ų | 58 | 82.3 Ų | 82.3 | 48% | 0.479 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | M67 L68 L74 A75 | M67-A71 VanDerWaalsContact O-CB 3.28Å; M67-A71 WeakPolarHBondContact O-CB 3.38Å; M67-A71 PolarHBondContact O-N 3.29Å; L68-A71 PolarHBondContact O-N 3.23Å; L68-A71 VanDerWaalsContact O-N 3.16Å; A71-L74 PolarHBondContact O-N 2.96Å; A71-A75 WeakPolarHBondContact O-CB 3.48Å; A71-A75 PolarHBondContact O-N 3.49Å |
| 72 | F | 90.5 | Very high | 88.6 | Confident | 86 Ų | 86 | 82.4 Ų | 82.4 | 38% | 0.377 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 175.7 | -83.1 | -81.7 | 0 | 0 | 0 | 112.2 | L68 Y70 L74 A75 K76 F77 L79 | L68-F72 HydrophobicContact CD1-CE2 4.28Å; L68-F72 HydrophobicContact CD2-CD2 3.7Å; L68-F72 HydrophobicContact CD2-CE2 3.73Å; L68-F72 HydrophobicContact CG-CD2 3.84Å; L68-F72 HydrophobicContact CG-CE2 3.71Å; L68-F72 VanDerWaalsContact O-CD2 3.23Å; L68-F72 WeakPolarHBondContact O-CD2 3.31Å; L68-F72 PolarHBondContact O-N 3.24Å; Y70-F72 VanDerWaalsContact C-N 3.33Å; Y70-F72 PolarHBondContact O-N 2.94Å; F72-L74 PolarHBondContact O-N 2.75Å; F72-A75 CarbonylContact O-C 3.6Å; F72-A75 WeakPolarHBondContact O-CA 3.38Å; F72-A75 PolarHBondContact O-N 3.2Å; F72-A75 VanDerWaalsContact O-N 3.15Å; F72-K76 PolarHBondContact O-N 3.39Å; F72-F77 CarbonylContact C-O 3.29Å; F72-F77 VanDerWaalsContact C-O 3.29Å; F72-F77 HydrophobicContact CB-CB 4.46Å; F72-F77 HydrophobicContact CD1-CB 3.9Å; F72-F77 PolarHBondContact O-N 3.01Å; F72-F77 VanDerWaalsContact O-O 3.04Å; F72-L79 HydrophobicContact CB-CD1 3.7Å; F72-L79 HydrophobicContact CB-CG 4.46Å; F72-L79 HydrophobicContact CD1-CD1 3.97Å; F72-L79 HydrophobicContact CD1-CG 4.44Å; F72-L79 HydrophobicContact CD2-CD1 3.22Å; F72-L79 HydrophobicContact CD2-CG 4.43Å; F72-L79 HydrophobicContact CE1-CD1 4.41Å; F72-L79 HydrophobicContact CE2-CD1 3.77Å; F72-L79 HydrophobicContact CG-CD1 3.35Å; F72-L79 HydrophobicContact CG-CG 4.21Å; F72-L79 HydrophobicContact CZ-CD1 4.33Å |
| 73 | R | 85.6 | Confident | 88.3 | Confident | 82 Ų | 82 | 84.6 Ų | 84.6 | 31% | 0.309 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 176.5 | -176.1 | 59.1 | 176.4 | 177.5 | -0.3 | 112.2 | V69 Y70 A75 K76 T99 | V69-R73 WeakPolarHBondContact O-CB 3.47Å; V69-R73 PolarHBondContact O-N 2.86Å; Y70-R73 PolarHBondContact O-N 3.24Å; R73-A75 VanDerWaalsContact C-N 3.29Å; R73-K76 PolarHBondContact O-N 3.27Å; R73-T99 HydrophobicContact CG-CG2 4.09Å |
| 74 | L | 85.9 | Confident | 87.9 | Confident | 150 Ų | 150 | 79.6 Ų | 79.6 | 79% | 0.785 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.1 | -35.9 | 174.2 | -71.7 | 173.2 | 0 | 0 | 0 | 111.7 | Y70 A71 F72 K76 | Y70-L74 WeakPolarHBondContact O-CB 3.34Å; Y70-L74 WeakPolarHBondContact O-CG 3.4Å; Y70-L74 PolarHBondContact O-N 3.29Å; A71-L74 PolarHBondContact O-N 2.96Å; F72-L74 PolarHBondContact O-N 2.75Å; L74-K76 PolarHBondContact O-N 2.88Å |
| 75 | A | 88.9 | Confident | 87.5 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 6.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | A71 F72 R73 F77 | A71-A75 WeakPolarHBondContact O-CB 3.48Å; A71-A75 PolarHBondContact O-N 3.49Å; F72-A75 CarbonylContact O-C 3.6Å; F72-A75 WeakPolarHBondContact O-CA 3.38Å; F72-A75 PolarHBondContact O-N 3.2Å; F72-A75 VanDerWaalsContact O-N 3.15Å; R73-A75 VanDerWaalsContact C-N 3.29Å; A75-F77 HydrophobicContact CB-CD2 4Å; A75-F77 VanDerWaalsContact O-CD2 3.3Å; A75-F77 WeakPolarHBondContact O-CD2 3.25Å; A75-F77 PolarHBondContact O-N 2.9Å |
| 76 | K | 83.1 | Confident | 87.1 | Confident | 196 Ų | 196 | 80.2 Ų | 80.2 | 85% | 0.852 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 20.9 | -176.4 | -57 | -176.5 | 179.3 | 179.4 | 0 | 114.8 | F72 R73 L74 | F72-K76 PolarHBondContact O-N 3.39Å; R73-K76 PolarHBondContact O-N 3.27Å; L74-K76 PolarHBondContact O-N 2.88Å |
| 77 | F | 86.4 | Confident | 86.7 | Confident | 141 Ų | 141 | 79.7 Ų | 79.7 | 62% | 0.618 | 40% | 0.402 | S | S | * | . | trans | -96.9 | 124.9 | 171.1 | -77.3 | -81 | 0 | 0 | 0 | 110.3 | F72 A75 L79 | F72-F77 CarbonylContact C-O 3.29Å; F72-F77 VanDerWaalsContact C-O 3.29Å; F72-F77 HydrophobicContact CB-CB 4.46Å; F72-F77 HydrophobicContact CD1-CB 3.9Å; F72-F77 PolarHBondContact O-N 3.01Å; F72-F77 VanDerWaalsContact O-O 3.04Å; A75-F77 HydrophobicContact CB-CD2 4Å; A75-F77 VanDerWaalsContact O-CD2 3.3Å; A75-F77 WeakPolarHBondContact O-CD2 3.25Å; A75-F77 PolarHBondContact O-N 2.9Å; F77-L79 PolarHBondContact O-N 3.29Å | ||
| 78 | D | 81.9 | Confident | 86.4 | Confident | 55 Ų | 55 | 73.8 Ų | 73.8 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | trans | -96.3 | 92.3 | 177.5 | -171.8 | 10.3 | 0 | 0 | 0 | 112.1 | S80 F81 G82 | D78-S80 PolarHBondContact O-N 3.48Å; D78-S80 WeakPolarHBondContact OD1-CA 3.45Å; D78-S80 VanDerWaalsContact OD1-CB 3.25Å; D78-S80 WeakPolarHBondContact OD1-CB 3.33Å; D78-S80 PolarHBondContact OD1-N 2.87Å; D78-S80 PolarHBondContact OD1-OG 3.36Å; D78-S80 PolarHBondContact OD2-OG 2.96Å; D78-F81 PolarHBondContact O-N 3.42Å; D78-G82 VanDerWaalsContact OD2-CA 3.28Å; D78-G82 WeakPolarHBondContact OD2-CA 3.43Å; D78-G82 PolarHBondContact OD2-N 3.04Å | ||
| 79 | L | 79.8 | Confident | 85.9 | Confident | 68 Ų | 68 | 74.6 Ų | 74.6 | 36% | 0.356 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.2 | 172 | -99.9 | 159.4 | 0 | 0 | 0 | 113.8 | L68 F72 F77 F81 Y106 | L68-L79 HydrophobicContact CD2-CD1 3.62Å; F72-L79 HydrophobicContact CB-CD1 3.7Å; F72-L79 HydrophobicContact CB-CG 4.46Å; F72-L79 HydrophobicContact CD1-CD1 3.97Å; F72-L79 HydrophobicContact CD1-CG 4.44Å; F72-L79 HydrophobicContact CD2-CD1 3.22Å; F72-L79 HydrophobicContact CD2-CG 4.43Å; F72-L79 HydrophobicContact CE1-CD1 4.41Å; F72-L79 HydrophobicContact CE2-CD1 3.77Å; F72-L79 HydrophobicContact CG-CD1 3.35Å; F72-L79 HydrophobicContact CG-CG 4.21Å; F72-L79 HydrophobicContact CZ-CD1 4.33Å; F77-L79 PolarHBondContact O-N 3.29Å; L79-F81 VanDerWaalsContact C-N 3.33Å; L79-Y106 PolarHBondContact O-OH 2.87Å |
| 80 | S | 83.8 | Confident | 85.4 | Confident | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.007 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -1.3 | -175.6 | 82.2 | 0 | 0 | 0 | 0 | 113.5 | D78 G82 L83 I84 | D78-S80 PolarHBondContact O-N 3.48Å; D78-S80 WeakPolarHBondContact OD1-CA 3.45Å; D78-S80 VanDerWaalsContact OD1-CB 3.25Å; D78-S80 WeakPolarHBondContact OD1-CB 3.33Å; D78-S80 PolarHBondContact OD1-N 2.87Å; D78-S80 PolarHBondContact OD1-OG 3.36Å; D78-S80 PolarHBondContact OD2-OG 2.96Å; S80-G82 PolarHBondContact O-N 3.28Å; S80-L83 WeakPolarHBondContact O-CB 3.42Å; S80-L83 WeakPolarHBondContact O-CD1 3.26Å; S80-L83 VanDerWaalsContact O-CG 3.31Å; S80-L83 WeakPolarHBondContact O-CG 3.43Å; S80-L83 PolarHBondContact O-N 3.38Å; S80-L83 VanDerWaalsContact O-N 3.12Å; S80-L83 PolarHBondContact OG-N 3.22Å; S80-I84 WeakPolarHBondContact OG-CB 3.44Å; S80-I84 WeakPolarHBondContact OG-CG1 3.28Å; S80-I84 PolarHBondContact OG-N 2.98Å |
| 81 | F | 85 | Confident | 84.8 | Confident | 197 Ų | 197 | 80 Ų | 80 | 86% | 0.864 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 43.7 | -176.6 | -58.8 | -83.2 | 0 | 0 | 0 | 112.5 | D78 L79 | D78-F81 PolarHBondContact O-N 3.42Å; L79-F81 VanDerWaalsContact C-N 3.33Å |
| 82 | G | 85.2 | Confident | 84.1 | Confident | 36 Ų | 36 | 81.8 Ų | 81.8 | 37% | 0.371 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -9.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | D78 S80 I84 G85 W86 | D78-G82 VanDerWaalsContact OD2-CA 3.28Å; D78-G82 WeakPolarHBondContact OD2-CA 3.43Å; D78-G82 PolarHBondContact OD2-N 3.04Å; S80-G82 PolarHBondContact O-N 3.28Å; G82-I84 PolarHBondContact O-N 3.24Å; G82-G85 PolarHBondContact O-N 3.36Å; G82-W86 WeakPolarHBondContact O-CB 3.3Å; G82-W86 PolarHBondContact O-N 2.88Å |
| 83 | L | 86.4 | Confident | 83.6 | Confident | 91 Ų | 91 | 79.4 Ų | 79.4 | 48% | 0.476 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | -179 | -72.8 | 168.9 | 0 | 0 | 0 | 113.2 | S80 W86 L87 Y106 | S80-L83 WeakPolarHBondContact O-CB 3.42Å; S80-L83 WeakPolarHBondContact O-CD1 3.26Å; S80-L83 VanDerWaalsContact O-CG 3.31Å; S80-L83 WeakPolarHBondContact O-CG 3.43Å; S80-L83 PolarHBondContact O-N 3.38Å; S80-L83 VanDerWaalsContact O-N 3.12Å; S80-L83 PolarHBondContact OG-N 3.22Å; L83-W86 PolarHBondContact O-N 3.45Å; L83-L87 WeakPolarHBondContact O-CB 3.23Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.32Å; L83-L87 PolarHBondContact O-N 3.04Å; L83-Y106 HydrophobicContact CB-CD2 4.45Å; L83-Y106 HydrophobicContact CB-CE2 4.45Å; L83-Y106 HydrophobicContact CD1-CE2 4.02Å |
| 84 | I | 84.5 | Confident | 83.3 | Confident | 4 Ų | 4 | 83 Ų | 83 | 2% | 0.021 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 175.4 | -70.1 | 165 | 0 | 0 | 0 | 109.6 | V69 S80 G82 W86 L87 Q88 C102 Y106 | V69-I84 HydrophobicContact CG1-CD1 4.19Å; S80-I84 WeakPolarHBondContact OG-CB 3.44Å; S80-I84 WeakPolarHBondContact OG-CG1 3.28Å; S80-I84 PolarHBondContact OG-N 2.98Å; G82-I84 PolarHBondContact O-N 3.24Å; I84-W86 VanDerWaalsContact C-N 3.33Å; I84-W86 PolarHBondContact O-N 3.19Å; I84-L87 PolarHBondContact O-N 3.12Å; I84-Q88 VanDerWaalsContact O-CG 3.31Å; I84-Q88 WeakPolarHBondContact O-CG 3.11Å; I84-Q88 PolarHBondContact O-N 2.95Å; I84-C102 HydrophobicContact CG2-CB 4.09Å; I84-Y106 HydrophobicContact CD1-CD1 4.07Å; I84-Y106 HydrophobicContact CD1-CG 4.22Å; I84-Y106 HydrophobicContact CG1-CD1 4.35Å; I84-Y106 HydrophobicContact CG1-CD2 4.45Å; I84-Y106 HydrophobicContact CG1-CG 3.99Å |
| 85 | G | 84.4 | Confident | 83.2 | Confident | 26 Ų | 26 | 78.3 Ų | 78.3 | 27% | 0.268 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G82 Q88 S89 | G82-G85 PolarHBondContact O-N 3.36Å; G85-Q88 WeakPolarHBondContact O-CB 3.47Å; G85-Q88 PolarHBondContact O-N 3.41Å; G85-S89 PolarHBondContact O-N 3.33Å |
| 86 | W | 84.4 | Confident | 83 | Confident | 151 Ų | 151 | 82.2 Ų | 82.2 | 57% | 0.572 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.1 | -48.5 | 173.3 | 176.9 | 78 | 0 | 0 | 0 | 111.8 | G82 L83 I84 Q88 S89 C90 | G82-W86 WeakPolarHBondContact O-CB 3.3Å; G82-W86 PolarHBondContact O-N 2.88Å; L83-W86 PolarHBondContact O-N 3.45Å; I84-W86 VanDerWaalsContact C-N 3.33Å; I84-W86 PolarHBondContact O-N 3.19Å; W86-Q88 VanDerWaalsContact C-N 3.28Å; W86-Q88 PolarHBondContact O-N 2.89Å; W86-S89 PolarHBondContact O-N 3.34Å; W86-S89 VanDerWaalsContact O-N 3.1Å; W86-S89 PolarHBondContact O-OG 3.49Å; W86-C90 PolarHBondContact O-N 2.93Å; W86-C90 PolarHBondContact O-SG 3.05Å |
| 87 | L | 84.9 | Confident | 83.1 | Confident | 28 Ų | 28 | 78 Ų | 78 | 15% | 0.147 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58 | -39.4 | 175.9 | -76.4 | 169.4 | 0 | 0 | 0 | 112.5 | L83 I84 C90 L91 C102 L105 | L83-L87 WeakPolarHBondContact O-CB 3.23Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.32Å; L83-L87 PolarHBondContact O-N 3.04Å; I84-L87 PolarHBondContact O-N 3.12Å; L87-C90 PolarHBondContact O-N 3.15Å; L87-L91 HydrophobicContact CD2-CD1 4.08Å; L87-L91 WeakPolarHBondContact O-CB 3.28Å; L87-L91 PolarHBondContact O-N 2.88Å; L87-C102 HydrophobicContact CB-CB 4.15Å; L87-L105 HydrophobicContact CD2-CD2 4.32Å |
| 88 | Q | 85.5 | Confident | 83.2 | Confident | 4 Ų | 4 | 71.4 Ų | 71.4 | 2% | 0.019 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 175.7 | -70.7 | -176.3 | -46.1 | 0 | 0 | 111.7 | I84 G85 W86 C90 L92 G93 T99 C102 | I84-Q88 VanDerWaalsContact O-CG 3.31Å; I84-Q88 WeakPolarHBondContact O-CG 3.11Å; I84-Q88 PolarHBondContact O-N 2.95Å; G85-Q88 WeakPolarHBondContact O-CB 3.47Å; G85-Q88 PolarHBondContact O-N 3.41Å; W86-Q88 VanDerWaalsContact C-N 3.28Å; W86-Q88 PolarHBondContact O-N 2.89Å; Q88-C90 VanDerWaalsContact C-N 3.28Å; Q88-C90 PolarHBondContact O-N 2.87Å; Q88-L92 PolarHBondContact O-N 3.32Å; Q88-G93 PolarHBondContact O-N 2.88Å; Q88-T99 PolarHBondContact NE2-OG1 2.9Å; Q88-C102 HydrophobicContact CG-CB 4.09Å |
| 89 | S | 83.5 | Confident | 83.4 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 56% | 0.559 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.9 | -33.5 | 179.3 | 72.7 | 0 | 0 | 0 | 0 | 112.6 | G85 W86 | G85-S89 PolarHBondContact O-N 3.33Å; W86-S89 PolarHBondContact O-N 3.34Å; W86-S89 VanDerWaalsContact O-N 3.1Å; W86-S89 PolarHBondContact O-OG 3.49Å |
| 90 | C | 81.7 | Confident | 83.8 | Confident | 74 Ų | 74 | 71.2 Ų | 71.2 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -82.4 | -32.4 | -179.2 | -67.1 | 0 | 0 | 0 | 0 | 114.4 | W86 L87 Q88 | W86-C90 PolarHBondContact O-N 2.93Å; W86-C90 PolarHBondContact O-SG 3.05Å; L87-C90 PolarHBondContact O-N 3.15Å; Q88-C90 VanDerWaalsContact C-N 3.28Å; Q88-C90 PolarHBondContact O-N 2.87Å |
| 91 | L | 78 | Confident | 84.1 | Confident | 96 Ų | 96 | 76.2 Ų | 76.2 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -110.1 | -48.2 | -164.4 | -67.8 | 168.4 | 0 | 0 | 0 | 115.4 | L87 F101 L105 | L87-L91 HydrophobicContact CD2-CD1 4.08Å; L87-L91 WeakPolarHBondContact O-CB 3.28Å; L87-L91 PolarHBondContact O-N 2.88Å; L91-F101 HydrophobicContact CD1-CE1 4.44Å; L91-L105 HydrophobicContact CD1-CD2 4.41Å |
| 92 | L | 76.8 | Confident | 84.4 | Confident | 95 Ų | 95 | 66.8 Ų | 66.8 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.9 | 1.2 | -161.7 | -70.8 | 169.4 | 0 | 0 | 0 | 114.7 | Q88 S98 F101 | Q88-L92 PolarHBondContact O-N 3.32Å; L92-S98 WeakPolarHBondContact CB-OG 3.41Å; L92-F101 HydrophobicContact CD1-CB 4.1Å; L92-F101 HydrophobicContact CD1-CD1 3.59Å; L92-F101 HydrophobicContact CD1-CE1 4.27Å; L92-F101 HydrophobicContact CD1-CG 3.97Å |
| 93 | G | 78.8 | Confident | 84.6 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 36% | 0.361 | 36% | 0.358 | S | S | . | . | trans | 67.6 | -175.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q88 S95 S98 | Q88-G93 PolarHBondContact O-N 2.88Å; G93-S95 PolarHBondContact O-N 2.89Å; G93-S98 WeakPolarHBondContact O-CB 3.35Å; G93-S98 PolarHBondContact O-OG 3.44Å | ||
| 94 | H | 79.8 | Confident | 84.9 | Confident | 158 Ų | 158 | 61.9 Ų | 61.9 | 73% | 0.731 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -87.9 | 91.5 | -177.7 | -65.6 | -67.5 | 0 | 0 | 0 | 111.5 | ||
| 95 | S | 84.7 | Confident | 85.2 | Confident | 52 Ų | 52 | 64.8 Ų | 64.8 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | trans | -132.6 | 163.5 | 170.2 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | G93 V97 S98 T99 | G93-S95 PolarHBondContact O-N 2.89Å; S95-V97 VanDerWaalsContact C-N 3.29Å; S95-V97 PolarHBondContact O-N 3.18Å; S95-S98 WeakPolarHBondContact O-CB 3.48Å; S95-S98 PolarHBondContact O-N 2.94Å; S95-S98 WeakPolarHBondContact OG-CB 3.27Å; S95-S98 PolarHBondContact OG-N 3.43Å; S95-T99 PolarHBondContact O-N 2.78Å; S95-T99 PolarHBondContact O-OG1 3.32Å | ||
| 96 | I | 83.9 | Confident | 85.6 | Confident | 138 Ų | 138 | 65.1 Ų | 65.1 | 71% | 0.708 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.5 | -43.9 | 173.9 | -65 | 170.3 | 0 | 0 | 0 | 109.7 | S98 T99 L100 | I96-S98 PolarHBondContact O-N 3.38Å; I96-T99 WeakPolarHBondContact O-CB 3.47Å; I96-T99 PolarHBondContact O-N 2.88Å; I96-L100 HydrophobicContact CG2-CD1 4.3Å; I96-L100 WeakPolarHBondContact O-CG 3.37Å; I96-L100 PolarHBondContact O-N 3.46Å |
| 97 | V | 85.9 | Confident | 86.1 | Confident | 109 Ų | 109 | 58 Ų | 58 | 66% | 0.661 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.6 | -45.1 | 177.5 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | S95 T99 L100 F101 | S95-V97 VanDerWaalsContact C-N 3.29Å; S95-V97 PolarHBondContact O-N 3.18Å; V97-T99 VanDerWaalsContact C-N 3.35Å; V97-T99 PolarHBondContact O-N 2.89Å; V97-L100 PolarHBondContact O-N 3.05Å; V97-F101 WeakPolarHBondContact O-CB 3.42Å; V97-F101 PolarHBondContact O-N 3.27Å |
| 98 | S | 87.2 | Confident | 86.5 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.9 | -44 | 174.7 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | L92 G93 S95 I96 L100 F101 C102 | L92-S98 WeakPolarHBondContact CB-OG 3.41Å; G93-S98 WeakPolarHBondContact O-CB 3.35Å; G93-S98 PolarHBondContact O-OG 3.44Å; S95-S98 WeakPolarHBondContact O-CB 3.48Å; S95-S98 PolarHBondContact O-N 2.94Å; S95-S98 WeakPolarHBondContact OG-CB 3.27Å; S95-S98 PolarHBondContact OG-N 3.43Å; I96-S98 PolarHBondContact O-N 3.38Å; S98-L100 PolarHBondContact O-N 3.48Å; S98-F101 PolarHBondContact O-N 3.15Å; S98-C102 WeakPolarHBondContact O-CB 3.36Å; S98-C102 PolarHBondContact O-N 3.47Å; S98-C102 PolarHBondContact O-SG 3.47Å |
| 99 | T | 86.5 | Confident | 86.8 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 175.7 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | R73 Q88 S95 I96 V97 C103 | R73-T99 HydrophobicContact CG-CG2 4.09Å; Q88-T99 PolarHBondContact NE2-OG1 2.9Å; S95-T99 PolarHBondContact O-N 2.78Å; S95-T99 PolarHBondContact O-OG1 3.32Å; I96-T99 WeakPolarHBondContact O-CB 3.47Å; I96-T99 PolarHBondContact O-N 2.88Å; V97-T99 VanDerWaalsContact C-N 3.35Å; V97-T99 PolarHBondContact O-N 2.89Å; T99-C103 VanDerWaalsContact O-CB 3.29Å; T99-C103 WeakPolarHBondContact O-CB 3.35Å; T99-C103 PolarHBondContact O-N 3.23Å; T99-C103 PolarHBondContact O-SG 2.8Å |
| 100 | L | 88.7 | Confident | 87.3 | Confident | 87 Ų | 87 | 62.3 Ų | 62.3 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 179 | -66.6 | 175.2 | 0 | 0 | 0 | 111.4 | Y70 I96 V97 S98 C103 A104 | Y70-L100 HydrophobicContact CD1-CD2 4.13Å; Y70-L100 HydrophobicContact CE1-CB 4.45Å; Y70-L100 HydrophobicContact CE1-CD2 3.48Å; Y70-L100 VanDerWaalsContact CE1-CD2 3.48Å; Y70-L100 PolarHBondContact OH-O 2.95Å; I96-L100 HydrophobicContact CG2-CD1 4.3Å; I96-L100 WeakPolarHBondContact O-CG 3.37Å; I96-L100 PolarHBondContact O-N 3.46Å; V97-L100 PolarHBondContact O-N 3.05Å; S98-L100 PolarHBondContact O-N 3.48Å; L100-C103 PolarHBondContact O-N 3.15Å; L100-A104 WeakPolarHBondContact O-CB 3.25Å; L100-A104 PolarHBondContact O-N 3.43Å |
| 101 | F | 90.3 | Very high | 88 | Confident | 106 Ų | 106 | 59.2 Ų | 59.2 | 47% | 0.465 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 178.9 | -179.2 | -97.6 | 0 | 0 | 0 | 112.6 | L91 L92 V97 S98 C103 A104 L105 | L91-F101 HydrophobicContact CD1-CE1 4.44Å; L92-F101 HydrophobicContact CD1-CB 4.1Å; L92-F101 HydrophobicContact CD1-CD1 3.59Å; L92-F101 HydrophobicContact CD1-CE1 4.27Å; L92-F101 HydrophobicContact CD1-CG 3.97Å; V97-F101 WeakPolarHBondContact O-CB 3.42Å; V97-F101 PolarHBondContact O-N 3.27Å; S98-F101 PolarHBondContact O-N 3.15Å; F101-C103 PolarHBondContact O-N 2.85Å; F101-A104 PolarHBondContact O-N 2.76Å; F101-L105 HydrophobicContact CE1-CD2 4.4Å; F101-L105 WeakPolarHBondContact O-CB 3.41Å; F101-L105 PolarHBondContact O-N 3.43Å |
| 102 | C | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 179.7 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | I84 L87 Q88 S98 L105 Y106 | I84-C102 HydrophobicContact CG2-CB 4.09Å; L87-C102 HydrophobicContact CB-CB 4.15Å; Q88-C102 HydrophobicContact CG-CB 4.09Å; S98-C102 WeakPolarHBondContact O-CB 3.36Å; S98-C102 PolarHBondContact O-N 3.47Å; S98-C102 PolarHBondContact O-SG 3.47Å; C102-L105 PolarHBondContact O-N 2.8Å; C102-Y106 VanDerWaalsContact O-CB 3.29Å; C102-Y106 WeakPolarHBondContact O-CB 3.38Å; C102-Y106 PolarHBondContact O-N 3.05Å |
| 103 | C | 90.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 172.5 | -76.9 | 0 | 0 | 0 | 0 | 111.8 | V69 Y70 T99 L100 F101 S107 | V69-C103 HydrophobicContact CG1-CB 4.17Å; Y70-C103 HydrophobicContact CD1-CB 3.88Å; Y70-C103 HydrophobicContact CE1-CB 3.43Å; Y70-C103 VanDerWaalsContact CE1-CB 3.43Å; T99-C103 VanDerWaalsContact O-CB 3.29Å; T99-C103 WeakPolarHBondContact O-CB 3.35Å; T99-C103 PolarHBondContact O-N 3.23Å; T99-C103 PolarHBondContact O-SG 2.8Å; L100-C103 PolarHBondContact O-N 3.15Å; F101-C103 PolarHBondContact O-N 2.85Å; C103-S107 WeakPolarHBondContact O-CB 3.43Å; C103-S107 PolarHBondContact O-N 2.86Å; C103-S107 PolarHBondContact O-OG 3.11Å |
| 104 | A | 91.8 | Very high | 90.2 | Very high | 24 Ų | 24 | 61.1 Ų | 61.1 | 20% | 0.198 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | L66 L100 F101 S107 I108 | L66-A104 HydrophobicContact CD1-CB 3.96Å; L100-A104 WeakPolarHBondContact O-CB 3.25Å; L100-A104 PolarHBondContact O-N 3.43Å; F101-A104 PolarHBondContact O-N 2.76Å; A104-S107 PolarHBondContact O-N 3.18Å; A104-I108 WeakPolarHBondContact O-CG1 3.14Å; A104-I108 PolarHBondContact O-N 2.84Å |
| 105 | L | 92 | Very high | 90.7 | Very high | 64 Ų | 64 | 53.8 Ų | 53.8 | 34% | 0.335 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 177.8 | -178.6 | 61.6 | 0 | 0 | 0 | 111.5 | L87 L91 F101 C102 S107 I108 V109 | L87-L105 HydrophobicContact CD2-CD2 4.32Å; L91-L105 HydrophobicContact CD1-CD2 4.41Å; F101-L105 HydrophobicContact CE1-CD2 4.4Å; F101-L105 WeakPolarHBondContact O-CB 3.41Å; F101-L105 PolarHBondContact O-N 3.43Å; C102-L105 PolarHBondContact O-N 2.8Å; L105-S107 VanDerWaalsContact C-N 3.33Å; L105-S107 PolarHBondContact O-N 2.99Å; L105-I108 PolarHBondContact O-N 3.34Å; L105-V109 WeakPolarHBondContact O-CG2 3.33Å; L105-V109 PolarHBondContact O-N 2.86Å; L105-V109 VanDerWaalsContact O-N 3.1Å |
| 106 | Y | 92.3 | Very high | 91.1 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.2 | -44.6 | 175.5 | 175.2 | -96.6 | 0 | 0 | 0 | 111.6 | V69 L79 L83 I84 C102 I108 V109 L110 | V69-Y106 HydrophobicContact CG1-CD1 4.13Å; V69-Y106 HydrophobicContact CG2-CD1 4.16Å; V69-Y106 HydrophobicContact CG2-CE1 4.18Å; L79-Y106 PolarHBondContact O-OH 2.87Å; L83-Y106 HydrophobicContact CB-CD2 4.45Å; L83-Y106 HydrophobicContact CB-CE2 4.45Å; L83-Y106 HydrophobicContact CD1-CE2 4.02Å; I84-Y106 HydrophobicContact CD1-CD1 4.07Å; I84-Y106 HydrophobicContact CD1-CG 4.22Å; I84-Y106 HydrophobicContact CG1-CD1 4.35Å; I84-Y106 HydrophobicContact CG1-CD2 4.45Å; I84-Y106 HydrophobicContact CG1-CG 3.99Å; C102-Y106 VanDerWaalsContact O-CB 3.29Å; C102-Y106 WeakPolarHBondContact O-CB 3.38Å; C102-Y106 PolarHBondContact O-N 3.05Å; Y106-I108 VanDerWaalsContact C-N 3.35Å; Y106-I108 PolarHBondContact O-N 3.13Å; Y106-V109 PolarHBondContact O-N 3.3Å; Y106-L110 HydrophobicContact CE1-CB 4.36Å; Y106-L110 HydrophobicContact CE1-CD2 3.84Å; Y106-L110 VanDerWaalsContact O-CB 3.3Å; Y106-L110 WeakPolarHBondContact O-CB 3.33Å; Y106-L110 PolarHBondContact O-N 2.97Å |
| 107 | S | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 179.1 | -59.5 | 0 | 0 | 0 | 0 | 112.5 | V69 C103 A104 L105 W111 | V69-S107 WeakPolarHBondContact CB-OG 3.33Å; V69-S107 WeakPolarHBondContact CG2-OG 3.3Å; C103-S107 WeakPolarHBondContact O-CB 3.43Å; C103-S107 PolarHBondContact O-N 2.86Å; C103-S107 PolarHBondContact O-OG 3.11Å; A104-S107 PolarHBondContact O-N 3.18Å; L105-S107 VanDerWaalsContact C-N 3.33Å; L105-S107 PolarHBondContact O-N 2.99Å; S107-W111 WeakPolarHBondContact O-CB 3.38Å; S107-W111 PolarHBondContact O-N 3.35Å |
| 108 | I | 93.6 | Very high | 91.8 | Very high | 75 Ų | 75 | 49.8 Ų | 49.8 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 177.3 | -68.6 | 164.8 | 0 | 0 | 0 | 110.5 | L62 A104 L105 Y106 W111 L112 | L62-I108 HydrophobicContact CD1-CG1 4.09Å; A104-I108 WeakPolarHBondContact O-CG1 3.14Å; A104-I108 PolarHBondContact O-N 2.84Å; L105-I108 PolarHBondContact O-N 3.34Å; Y106-I108 VanDerWaalsContact C-N 3.35Å; Y106-I108 PolarHBondContact O-N 3.13Å; I108-W111 PolarHBondContact O-N 2.73Å; I108-L112 HydrophobicContact CG2-CD1 4.1Å; I108-L112 WeakPolarHBondContact O-CB 3.41Å; I108-L112 VanDerWaalsContact O-CG 3.3Å; I108-L112 WeakPolarHBondContact O-CG 3.43Å; I108-L112 PolarHBondContact O-N 3.18Å |
| 109 | V | 93.2 | Very high | 92 | Very high | 74 Ų | 74 | 52 Ų | 52 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.4 | -48.5 | 179.5 | 174.6 | 0 | 0 | 0 | 0 | 111 | L105 Y106 W111 L112 L113 | L105-V109 WeakPolarHBondContact O-CG2 3.33Å; L105-V109 PolarHBondContact O-N 2.86Å; L105-V109 VanDerWaalsContact O-N 3.1Å; Y106-V109 PolarHBondContact O-N 3.3Å; V109-W111 VanDerWaalsContact C-N 3.32Å; V109-W111 PolarHBondContact O-N 3.4Å; V109-L112 PolarHBondContact O-N 2.78Å; V109-L113 HydrophobicContact CG1-CD1 4.22Å; V109-L113 WeakPolarHBondContact O-CG 3.24Å; V109-L113 PolarHBondContact O-N 3.11Å |
| 110 | L | 94 | Very high | 92.3 | Very high | 55 Ų | 55 | 55.4 Ų | 55.4 | 29% | 0.288 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.9 | -47.2 | 176.5 | 176.3 | 62.8 | 0 | 0 | 0 | 111 | T65 Y106 L112 L113 V114 | T65-L110 HydrophobicContact CG2-CD2 4.14Å; T65-L110 HydrophobicContact CG2-CG 4.49Å; Y106-L110 HydrophobicContact CE1-CB 4.36Å; Y106-L110 HydrophobicContact CE1-CD2 3.84Å; Y106-L110 VanDerWaalsContact O-CB 3.3Å; Y106-L110 WeakPolarHBondContact O-CB 3.33Å; Y106-L110 PolarHBondContact O-N 2.97Å; L110-L112 PolarHBondContact O-N 2.79Å; L110-L113 PolarHBondContact O-N 3.15Å; L110-V114 HydrophobicContact CD1-CG2 4.46Å; L110-V114 WeakPolarHBondContact O-CG2 3.49Å; L110-V114 PolarHBondContact O-N 3.14Å |
| 111 | W | 94.6 | Very high | 92.4 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 178 | 176.4 | 80.2 | 0 | 0 | 0 | 111.9 | F50 I54 S61 L62 T65 S107 I108 V109 L113 V114 V115 | F50-W111 AromaticContact CZ-CH2 3.94Å; F50-W111 HydrophobicContact CZ-CH2 3.94Å; F50-W111 HydrophobicContact CZ-CZ3 4.22Å; I54-W111 HydrophobicContact CB-CH2 4.19Å; I54-W111 HydrophobicContact CB-CZ2 4.39Å; I54-W111 HydrophobicContact CD1-CH2 3.97Å; I54-W111 HydrophobicContact CD1-CZ2 4.01Å; I54-W111 HydrophobicContact CG2-CH2 3.72Å; I54-W111 HydrophobicContact CG2-CZ2 4.4Å; I54-W111 HydrophobicContact CG2-CZ3 4.4Å; S61-W111 PolarHBondContact OG-NE1 3.43Å; L62-W111 HydrophobicContact CB-CD2 3.89Å; L62-W111 HydrophobicContact CB-CE3 4.37Å; L62-W111 HydrophobicContact CB-CG 4.15Å; L62-W111 HydrophobicContact CB-CZ2 4.08Å; L62-W111 HydrophobicContact CD1-CB 3.82Å; L62-W111 HydrophobicContact CD1-CD2 3.86Å; L62-W111 HydrophobicContact CD1-CE3 3.98Å; L62-W111 HydrophobicContact CD1-CG 3.8Å; L62-W111 HydrophobicContact CD2-CE3 4.45Å; L62-W111 HydrophobicContact CD2-CZ3 4.46Å; L62-W111 HydrophobicContact CG-CD2 4.36Å; L62-W111 HydrophobicContact CG-CE3 4.49Å; T65-W111 HydrophobicContact CG2-CB 4.32Å; S107-W111 WeakPolarHBondContact O-CB 3.38Å; S107-W111 PolarHBondContact O-N 3.35Å; I108-W111 PolarHBondContact O-N 2.73Å; V109-W111 VanDerWaalsContact C-N 3.32Å; V109-W111 PolarHBondContact O-N 3.4Å; W111-L113 VanDerWaalsContact C-N 3.32Å; W111-L113 PolarHBondContact O-N 2.89Å; W111-V114 PolarHBondContact O-N 2.73Å; W111-V115 HydrophobicContact CD2-CG2 4.11Å; W111-V115 HydrophobicContact CZ2-CG2 4.1Å; W111-V115 VanDerWaalsContact O-CG2 3.27Å; W111-V115 WeakPolarHBondContact O-CG2 3.42Å; W111-V115 PolarHBondContact O-N 3.43Å |
| 112 | L | 93.3 | Very high | 92.5 | Very high | 78 Ų | 78 | 49.1 Ų | 49.1 | 41% | 0.408 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 175.7 | -73.4 | 172.8 | 0 | 0 | 0 | 112.1 | I108 V109 L110 V115 Q116 | I108-L112 HydrophobicContact CG2-CD1 4.1Å; I108-L112 WeakPolarHBondContact O-CB 3.41Å; I108-L112 VanDerWaalsContact O-CG 3.3Å; I108-L112 WeakPolarHBondContact O-CG 3.43Å; I108-L112 PolarHBondContact O-N 3.18Å; V109-L112 PolarHBondContact O-N 2.78Å; L110-L112 PolarHBondContact O-N 2.79Å; L112-V115 PolarHBondContact O-N 3.32Å; L112-Q116 WeakPolarHBondContact O-CG 3.38Å; L112-Q116 PolarHBondContact O-N 2.94Å |
| 113 | L | 94 | Very high | 92.7 | Very high | 114 Ų | 114 | 52 Ų | 52 | 60% | 0.597 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | 175.6 | -70.7 | 173.5 | 0 | 0 | 0 | 111.8 | V109 L110 W111 Q116 A117 | V109-L113 HydrophobicContact CG1-CD1 4.22Å; V109-L113 WeakPolarHBondContact O-CG 3.24Å; V109-L113 PolarHBondContact O-N 3.11Å; L110-L113 PolarHBondContact O-N 3.15Å; W111-L113 VanDerWaalsContact C-N 3.32Å; W111-L113 PolarHBondContact O-N 2.89Å; L113-Q116 PolarHBondContact O-N 2.86Å; L113-A117 WeakPolarHBondContact O-CB 3.35Å; L113-A117 PolarHBondContact O-N 3.48Å |
| 114 | V | 92.6 | Very high | 92.8 | Very high | 74 Ų | 74 | 58.1 Ų | 58.1 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 111 | L110 W111 Q116 A117 L118 | L110-V114 HydrophobicContact CD1-CG2 4.46Å; L110-V114 WeakPolarHBondContact O-CG2 3.49Å; L110-V114 PolarHBondContact O-N 3.14Å; W111-V114 PolarHBondContact O-N 2.73Å; V114-Q116 VanDerWaalsContact C-N 3.33Å; V114-Q116 PolarHBondContact O-N 3.47Å; V114-A117 PolarHBondContact O-N 2.95Å; V114-L118 HydrophobicContact CG1-CD1 4.13Å; V114-L118 HydrophobicContact CG1-CG 4.46Å; V114-L118 WeakPolarHBondContact O-CG 3.26Å; V114-L118 PolarHBondContact O-N 2.86Å |
| 115 | V | 92 | Very high | 92.8 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.3 | -45.8 | 176 | 170.9 | 0 | 0 | 0 | 0 | 111 | I54 A57 W111 L112 L118 R119 | I54-V115 HydrophobicContact CB-CG1 4.27Å; A57-V115 HydrophobicContact CB-CG2 3.62Å; W111-V115 HydrophobicContact CD2-CG2 4.11Å; W111-V115 HydrophobicContact CZ2-CG2 4.1Å; W111-V115 VanDerWaalsContact O-CG2 3.27Å; W111-V115 WeakPolarHBondContact O-CG2 3.42Å; W111-V115 PolarHBondContact O-N 3.43Å; L112-V115 PolarHBondContact O-N 3.32Å; V115-L118 PolarHBondContact O-N 3.33Å; V115-R119 WeakPolarHBondContact O-CG 3.41Å; V115-R119 PolarHBondContact O-N 3.47Å |
| 116 | Q | 92.7 | Very high | 92.9 | Very high | 93 Ų | 93 | 56 Ų | 56 | 44% | 0.435 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 178.6 | -65.3 | -62.4 | 9.9 | 0 | 0 | 112.5 | L112 L113 V114 R119 L120 | L112-Q116 WeakPolarHBondContact O-CG 3.38Å; L112-Q116 PolarHBondContact O-N 2.94Å; L113-Q116 PolarHBondContact O-N 2.86Å; V114-Q116 VanDerWaalsContact C-N 3.33Å; V114-Q116 PolarHBondContact O-N 3.47Å; Q116-R119 PolarHBondContact O-N 3.34Å; Q116-L120 WeakPolarHBondContact O-CG 3.22Å; Q116-L120 PolarHBondContact O-N 3.37Å |
| 117 | A | 92.7 | Very high | 93 | Very high | 52 Ų | 52 | 57.2 Ų | 57.2 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.7 | -48 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | L113 V114 R119 L120 S121 | L113-A117 WeakPolarHBondContact O-CB 3.35Å; L113-A117 PolarHBondContact O-N 3.48Å; V114-A117 PolarHBondContact O-N 2.95Å; A117-R119 VanDerWaalsContact C-N 3.34Å; A117-R119 PolarHBondContact O-N 3.38Å; A117-L120 PolarHBondContact O-N 2.83Å; A117-S121 PolarHBondContact O-N 2.92Å; A117-S121 PolarHBondContact O-OG 3.05Å |
| 118 | L | 90.7 | Very high | 92.9 | Very high | 71 Ų | 71 | 60.1 Ų | 60.1 | 37% | 0.372 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 176 | -72.1 | 171.5 | 0 | 0 | 0 | 112.2 | P56 V114 V115 S121 I122 | P56-L118 HydrophobicContact CG-CB 4.37Å; P56-L118 HydrophobicContact CG-CD1 4.49Å; V114-L118 HydrophobicContact CG1-CD1 4.13Å; V114-L118 HydrophobicContact CG1-CG 4.46Å; V114-L118 WeakPolarHBondContact O-CG 3.26Å; V114-L118 PolarHBondContact O-N 2.86Å; V115-L118 PolarHBondContact O-N 3.33Å; L118-S121 WeakPolarHBondContact O-CB 3.31Å; L118-S121 PolarHBondContact O-N 2.84Å; L118-I122 WeakPolarHBondContact O-CG1 3.31Å; L118-I122 PolarHBondContact O-N 3.47Å |
| 119 | R | 91.8 | Very high | 92.8 | Very high | 48 Ų | 48 | 57.4 Ų | 57.4 | 18% | 0.181 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 177.3 | -76.5 | 179.8 | 54.9 | -171.5 | -16 | 112.3 | G53 Y55 V115 Q116 A117 I122 K123 G165 | G53-R119 PolarHBondContact O-NH1 2.83Å; Y55-R119 WeakPolarHBondContact O-CG 3.14Å; V115-R119 WeakPolarHBondContact O-CG 3.41Å; V115-R119 PolarHBondContact O-N 3.47Å; Q116-R119 PolarHBondContact O-N 3.34Å; A117-R119 VanDerWaalsContact C-N 3.34Å; A117-R119 PolarHBondContact O-N 3.38Å; R119-I122 PolarHBondContact O-N 2.73Å; R119-K123 WeakPolarHBondContact O-CB 3.39Å; R119-K123 PolarHBondContact O-N 2.92Å; R119-G165 VanDerWaalsContact NH2-C 3.26Å; R119-G165 PolarHBondContact NH2-O 3.31Å |
| 120 | L | 92.6 | Very high | 92.6 | Very high | 102 Ų | 102 | 62.6 Ų | 62.6 | 53% | 0.534 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 174.3 | -70.6 | 172.9 | 0 | 0 | 0 | 111.4 | Q116 A117 K123 L124 | Q116-L120 WeakPolarHBondContact O-CG 3.22Å; Q116-L120 PolarHBondContact O-N 3.37Å; A117-L120 PolarHBondContact O-N 2.83Å; L120-K123 WeakPolarHBondContact O-CB 3.31Å; L120-K123 PolarHBondContact O-N 3.02Å; L120-L124 WeakPolarHBondContact O-CG 3.08Å; L120-L124 PolarHBondContact O-N 2.87Å |
| 121 | S | 91.8 | Very high | 92.4 | Very high | 61 Ų | 61 | 61.3 Ų | 61.3 | 43% | 0.427 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 173.4 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | A117 L118 K123 L124 L125 | A117-S121 PolarHBondContact O-N 2.92Å; A117-S121 PolarHBondContact O-OG 3.05Å; L118-S121 WeakPolarHBondContact O-CB 3.31Å; L118-S121 PolarHBondContact O-N 2.84Å; S121-K123 VanDerWaalsContact C-N 3.3Å; S121-K123 PolarHBondContact O-N 2.86Å; S121-L124 PolarHBondContact O-N 3.49Å; S121-L125 WeakPolarHBondContact O-CG 3.47Å; S121-L125 PolarHBondContact O-N 3.27Å |
| 122 | I | 92.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 173.8 | -69.4 | 161.4 | 0 | 0 | 0 | 110.1 | P56 L118 R119 L124 L125 L126 I153 L154 A166 | P56-I122 HydrophobicContact CB-CD1 4.36Å; P56-I122 HydrophobicContact CG-CD1 3.69Å; L118-I122 WeakPolarHBondContact O-CG1 3.31Å; L118-I122 PolarHBondContact O-N 3.47Å; R119-I122 PolarHBondContact O-N 2.73Å; I122-L124 VanDerWaalsContact C-N 3.32Å; I122-L124 PolarHBondContact O-N 3.06Å; I122-L125 WeakPolarHBondContact O-CB 3.5Å; I122-L125 PolarHBondContact O-N 3.14Å; I122-L126 HydrophobicContact CG2-CD1 3.64Å; I122-L126 HydrophobicContact CG2-CG 3.94Å; I122-L126 WeakPolarHBondContact O-CB 3.35Å; I122-L126 VanDerWaalsContact O-CG 3.27Å; I122-L126 WeakPolarHBondContact O-CG 3.35Å; I122-L126 PolarHBondContact O-N 3.25Å; I122-I153 HydrophobicContact CD1-CG2 3.76Å; I122-I153 HydrophobicContact CG1-CG2 3.69Å; I122-L154 HydrophobicContact CD1-CD2 4.4Å; I122-A166 HydrophobicContact CB-CB 4.2Å; I122-A166 HydrophobicContact CG2-CB 3.8Å |
| 123 | K | 93.8 | Very high | 92 | Very high | 59 Ų | 59 | 62.1 Ų | 62.1 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 178.4 | -172.3 | 178.6 | -178.7 | -174.7 | 0 | 112.3 | R119 L120 S121 L126 S127 A166 P168 | R119-K123 WeakPolarHBondContact O-CB 3.39Å; R119-K123 PolarHBondContact O-N 2.92Å; L120-K123 WeakPolarHBondContact O-CB 3.31Å; L120-K123 PolarHBondContact O-N 3.02Å; S121-K123 VanDerWaalsContact C-N 3.3Å; S121-K123 PolarHBondContact O-N 2.86Å; K123-L126 PolarHBondContact O-N 2.95Å; K123-S127 PolarHBondContact O-N 3.34Å; K123-S127 PolarHBondContact O-OG 3.2Å; K123-A166 WeakPolarHBondContact CA-O 3.32Å; K123-A166 VanDerWaalsContact CB-O 3.25Å; K123-A166 WeakPolarHBondContact CB-O 3.47Å; K123-P168 HydrophobicContact CG-CB 4.46Å |
| 124 | L | 92.8 | Very high | 91.6 | Very high | 129 Ų | 129 | 59.4 Ų | 59.4 | 68% | 0.675 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.3 | -45 | 175 | -71.4 | 169.9 | 0 | 0 | 0 | 111.5 | L120 S121 I122 L126 S127 | L120-L124 WeakPolarHBondContact O-CG 3.08Å; L120-L124 PolarHBondContact O-N 2.87Å; S121-L124 PolarHBondContact O-N 3.49Å; I122-L124 VanDerWaalsContact C-N 3.32Å; I122-L124 PolarHBondContact O-N 3.06Å; L124-L126 PolarHBondContact O-N 3.01Å; L124-S127 WeakPolarHBondContact O-CB 3.4Å; L124-S127 PolarHBondContact O-N 3.22Å; L124-S127 VanDerWaalsContact O-N 3.15Å |
| 125 | L | 92.9 | Very high | 90.6 | Very high | 43 Ų | 43 | 62.9 Ų | 62.9 | 23% | 0.225 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 174.5 | -69.9 | 171.5 | 0 | 0 | 0 | 111.7 | S121 I122 S127 Y128 Y146 V149 I153 | S121-L125 WeakPolarHBondContact O-CG 3.47Å; S121-L125 PolarHBondContact O-N 3.27Å; I122-L125 WeakPolarHBondContact O-CB 3.5Å; I122-L125 PolarHBondContact O-N 3.14Å; L125-S127 PolarHBondContact O-N 3.38Å; L125-Y128 WeakPolarHBondContact O-CB 3.48Å; L125-Y128 PolarHBondContact O-N 3.46Å; L125-Y146 HydrophobicContact CB-CE2 4.13Å; L125-Y146 HydrophobicContact CD2-CD2 4.25Å; L125-Y146 HydrophobicContact CD2-CE2 4.25Å; L125-Y146 WeakPolarHBondContact O-CE2 3.29Å; L125-Y146 PolarHBondContact O-OH 2.65Å; L125-V149 HydrophobicContact CD1-CG1 4.14Å; L125-I153 HydrophobicContact CD1-CD1 3.47Å; L125-I153 VanDerWaalsContact CD1-CD1 3.47Å |
| 126 | L | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.4 | -18.3 | 178.7 | -66.6 | -178.3 | 0 | 0 | 0 | 112.8 | I122 K123 L124 Y128 K129 L150 L167 P168 V295 P296 | I122-L126 HydrophobicContact CG2-CD1 3.64Å; I122-L126 HydrophobicContact CG2-CG 3.94Å; I122-L126 WeakPolarHBondContact O-CB 3.35Å; I122-L126 VanDerWaalsContact O-CG 3.27Å; I122-L126 WeakPolarHBondContact O-CG 3.35Å; I122-L126 PolarHBondContact O-N 3.25Å; K123-L126 PolarHBondContact O-N 2.95Å; L124-L126 PolarHBondContact O-N 3.01Å; L126-Y128 VanDerWaalsContact C-N 3.29Å; L126-K129 VanDerWaalsContact O-CE 3.31Å; L126-K129 WeakPolarHBondContact O-CE 3.45Å; L126-K129 PolarHBondContact O-NZ 3.05Å; L126-L150 HydrophobicContact CD2-CD1 4.06Å; L126-L150 HydrophobicContact CD2-CD2 4.08Å; L126-L167 HydrophobicContact CD1-CD2 4.2Å; L126-P168 HydrophobicContact CB-CG 4.35Å; L126-V295 HydrophobicContact CD2-CG1 4.16Å; L126-V295 HydrophobicContact CD2-CG2 4.35Å; L126-P296 HydrophobicContact CD1-CG 4.03Å; L126-P296 HydrophobicContact CD2-CG 4.49Å |
| 127 | S | 92.9 | Very high | 88.2 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 42% | 0.42 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -73.8 | -22.2 | 173.8 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | K123 L124 L125 K129 P168 | K123-S127 PolarHBondContact O-N 3.34Å; K123-S127 PolarHBondContact O-OG 3.2Å; L124-S127 WeakPolarHBondContact O-CB 3.4Å; L124-S127 PolarHBondContact O-N 3.22Å; L124-S127 VanDerWaalsContact O-N 3.15Å; L125-S127 PolarHBondContact O-N 3.38Å; S127-K129 PolarHBondContact O-N 3.29Å; S127-P168 WeakPolarHBondContact OG-CB 3.48Å |
| 128 | Y | 91.3 | Very high | 87.4 | Confident | 62 Ų | 62 | 77.1 Ų | 77.1 | 24% | 0.243 | 37% | 0.374 | C | S | . | . | trans | -73.1 | 115.8 | 173.7 | -178.7 | -104.7 | 0 | 0 | 0 | 111 | L125 L126 R130 W131 Y146 | L125-Y128 WeakPolarHBondContact O-CB 3.48Å; L125-Y128 PolarHBondContact O-N 3.46Å; L126-Y128 VanDerWaalsContact C-N 3.29Å; Y128-R130 HydrophobicContact CD2-CG 4.49Å; Y128-R130 HydrophobicContact CE1-CB 4.18Å; Y128-R130 HydrophobicContact CE2-CB 3.81Å; Y128-R130 HydrophobicContact CE2-CG 3.83Å; Y128-W131 AromaticContact CD1-CD1 3.97Å; Y128-W131 HydrophobicContact CE1-CB 4.39Å; Y128-W131 PolarHBondContact O-NE1 3.18Å; Y128-W131 VanDerWaalsContact O-NE1 3.13Å; Y128-Y146 HydrophobicContact CD1-CD1 4.22Å; Y128-Y146 AromaticContact CD1-CD2 3.85Å; Y128-Y146 HydrophobicContact CD1-CD2 3.85Å; Y128-Y146 HydrophobicContact CD1-CE1 4.29Å; Y128-Y146 AromaticContact CD1-CE2 3.91Å; Y128-Y146 HydrophobicContact CD1-CE2 3.91Å; Y128-Y146 AromaticContact CD1-CG 3.99Å; Y128-Y146 HydrophobicContact CD1-CG 3.99Å; Y128-Y146 HydrophobicContact CE1-CD1 4.47Å; Y128-Y146 HydrophobicContact CE1-CD2 4.48Å; Y128-Y146 HydrophobicContact CE1-CG 4.24Å; Y128-Y146 HydrophobicContact CG-CE2 4.47Å | ||
| 129 | K | 91.4 | Very high | 86.9 | Confident | 18 Ų | 18 | 75.5 Ų | 75.5 | 8% | 0.078 | 37% | 0.368 | C | S | . | . | trans | -112.8 | -2.3 | -177.7 | -59 | -53.1 | -171.4 | -164.6 | 0 | 115.1 | L126 S127 W131 L132 L604 | L126-K129 VanDerWaalsContact O-CE 3.31Å; L126-K129 WeakPolarHBondContact O-CE 3.45Å; L126-K129 PolarHBondContact O-NZ 3.05Å; S127-K129 PolarHBondContact O-N 3.29Å; K129-W131 PolarHBondContact O-N 3.07Å; K129-W131 VanDerWaalsContact O-N 3.11Å; K129-L132 HydrophobicContact CB-CD1 4.31Å; K129-L132 HydrophobicContact CD-CD1 4.17Å; K129-L132 WeakPolarHBondContact O-CB 3.48Å; K129-L132 PolarHBondContact O-N 2.84Å; K129-L132 VanDerWaalsContact O-N 3.07Å; K129-L604 HydrophobicContact CD-CD1 4.31Å | ||
| 130 | R | 89.2 | Confident | 86.7 | Confident | 182 Ų | 182 | 75 Ų | 75 | 69% | 0.687 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -62 | -25 | -175.2 | -64.4 | -172.9 | 177.9 | 178.8 | -1.5 | 113.3 | Y128 L132 Y133 | Y128-R130 HydrophobicContact CD2-CG 4.49Å; Y128-R130 HydrophobicContact CE1-CB 4.18Å; Y128-R130 HydrophobicContact CE2-CB 3.81Å; Y128-R130 HydrophobicContact CE2-CG 3.83Å; R130-L132 PolarHBondContact O-N 2.98Å; R130-Y133 PolarHBondContact O-N 3.49Å |
| 131 | W | 89.6 | Confident | 86.5 | Confident | 29 Ų | 29 | 77 Ų | 77 | 11% | 0.11 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -59.2 | -30.7 | 175.8 | 66.6 | -93.7 | 0 | 0 | 0 | 113.2 | Y128 K129 Y133 Q134 T143 Y146 I292 V295 | Y128-W131 AromaticContact CD1-CD1 3.97Å; Y128-W131 HydrophobicContact CE1-CB 4.39Å; Y128-W131 PolarHBondContact O-NE1 3.18Å; Y128-W131 VanDerWaalsContact O-NE1 3.13Å; K129-W131 PolarHBondContact O-N 3.07Å; K129-W131 VanDerWaalsContact O-N 3.11Å; W131-Y133 VanDerWaalsContact C-N 3.26Å; W131-Y133 PolarHBondContact O-N 2.88Å; W131-Q134 PolarHBondContact O-N 3.34Å; W131-T143 HydrophobicContact CB-CG2 3.4Å; W131-T143 VanDerWaalsContact CB-CG2 3.4Å; W131-Y146 HydrophobicContact CB-CD1 4.42Å; W131-Y146 HydrophobicContact CB-CE1 4.49Å; W131-Y146 AromaticContact CD1-CE1 3.47Å; W131-Y146 VanDerWaalsContact CD1-CE1 3.47Å; W131-Y146 AromaticContact CD1-CZ 3.99Å; W131-Y146 HydrophobicContact CG-CD1 4.38Å; W131-Y146 AromaticContact CG-CE1 3.97Å; W131-Y146 HydrophobicContact CG-CE1 3.97Å; W131-Y146 AromaticContact NE1-CE1 3.85Å; W131-I292 HydrophobicContact CH2-CG2 4.1Å; W131-I292 HydrophobicContact CZ3-CG2 4.46Å; W131-V295 HydrophobicContact CH2-CB 4.18Å; W131-V295 HydrophobicContact CH2-CG2 4.02Å; W131-V295 HydrophobicContact CZ2-CB 3.83Å; W131-V295 HydrophobicContact CZ2-CG1 4.11Å; W131-V295 HydrophobicContact CZ2-CG2 3.43Å; W131-V295 VanDerWaalsContact CZ2-CG2 3.43Å |
| 132 | L | 89.9 | Confident | 86.4 | Confident | 24 Ų | 24 | 78.5 Ų | 78.5 | 13% | 0.126 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -66.4 | -28.1 | 178.6 | -78.6 | 160 | 0 | 0 | 0 | 113 | K129 R130 Q134 L604 L653 | K129-L132 HydrophobicContact CB-CD1 4.31Å; K129-L132 HydrophobicContact CD-CD1 4.17Å; K129-L132 WeakPolarHBondContact O-CB 3.48Å; K129-L132 PolarHBondContact O-N 2.84Å; K129-L132 VanDerWaalsContact O-N 3.07Å; R130-L132 PolarHBondContact O-N 2.98Å; L132-Q134 VanDerWaalsContact C-N 3.32Å; L132-L604 HydrophobicContact CD1-CD1 3.61Å; L132-L653 HydrophobicContact CB-CD2 4.31Å; L132-L653 WeakPolarHBondContact O-CD1 3.41Å |
| 133 | Y | 90.4 | Very high | 86.2 | Confident | 78 Ų | 78 | 78.6 Ų | 78.6 | 31% | 0.306 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -86.3 | -4.2 | -177.5 | -64.3 | -91.6 | 0 | 0 | 0 | 112.9 | R130 W131 L653 D654 K659 | R130-Y133 PolarHBondContact O-N 3.49Å; W131-Y133 VanDerWaalsContact C-N 3.26Å; W131-Y133 PolarHBondContact O-N 2.88Å; Y133-L653 HydrophobicContact CD1-CB 4.3Å; Y133-L653 HydrophobicContact CD1-CD1 4.1Å; Y133-L653 HydrophobicContact CE1-CB 3.88Å; Y133-D654 WeakPolarHBondContact CE1-OD1 3.38Å; Y133-D654 PolarHBondContact OH-OD1 2.94Å; Y133-K659 PolarHBondContact OH-NZ 2.96Å |
| 134 | Q | 85.6 | Confident | 86 | Confident | 57 Ų | 57 | 82 Ų | 82 | 27% | 0.266 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -93.3 | 132.7 | -179 | -62.6 | -172.1 | 1.7 | 0 | 0 | 110.3 | W131 L132 S140 T143 | W131-Q134 PolarHBondContact O-N 3.34Å; L132-Q134 VanDerWaalsContact C-N 3.32Å; Q134-S140 VanDerWaalsContact CD-OG 3.23Å; Q134-S140 PolarHBondContact NE2-OG 3.03Å; Q134-S140 PolarHBondContact OE1-OG 2.83Å; Q134-T143 VanDerWaalsContact CD-OG1 3.32Å; Q134-T143 PolarHBondContact NE2-OG1 2.92Å; Q134-T143 VanDerWaalsContact OE1-CB 3.31Å; Q134-T143 PolarHBondContact OE1-OG1 3.25Å |
| 135 | R | 70.5 | Confident | 85.9 | Confident | 147 Ų | 147 | 80.8 Ų | 80.8 | 56% | 0.555 | 40% | 0.397 | S | S | * | . | trans | -64.3 | 140.3 | 170.5 | -66.3 | -175 | 179.8 | -175.4 | -0.7 | 109 | Q137 N138 C139 E646 | R135-Q137 PolarHBondContact O-N 2.67Å; R135-Q137 VanDerWaalsContact O-N 3.14Å; R135-N138 CarbonylContact O-C 3.3Å; R135-N138 PolarHBondContact O-N 2.81Å; R135-C139 PolarHBondContact O-N 2.97Å; R135-E646 IonicContact CZ-OE1 3.87Å; R135-E646 IonicContact NH2-OE1 3.69Å; R135-E646 PolarHBondContact NH2-OE1 2.74Å | ||
| 136 | V | 68.8 | Low | 85.8 | Confident | 144 Ų | 144 | 79.5 Ų | 79.5 | 87% | 0.873 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -53.5 | -37.6 | 179.9 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 137 | Q | 66.7 | Low | 85.6 | Confident | 176 Ų | 176 | 81.4 Ų | 81.4 | 82% | 0.822 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -69.8 | -30.7 | 179.2 | -68 | 168.6 | -18.7 | 0 | 0 | 113.3 | R135 | R135-Q137 PolarHBondContact O-N 2.67Å; R135-Q137 VanDerWaalsContact O-N 3.14Å |
| 138 | N | 75.7 | Confident | 85.5 | Confident | 128 Ų | 128 | 83.5 Ų | 83.5 | 68% | 0.684 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -117.8 | 48 | -174 | -68.6 | -11.6 | 0 | 0 | 0 | 111.6 | R135 S140 | R135-N138 CarbonylContact O-C 3.3Å; R135-N138 PolarHBondContact O-N 2.81Å; N138-S140 PolarHBondContact O-N 3.3Å |
| 139 | C | 80.2 | Confident | 85.4 | Confident | 37 Ų | 37 | 83.1 Ų | 83.1 | 25% | 0.25 | 41% | 0.409 | C | S | . | . | trans | -75.6 | 123.4 | -178.7 | -168 | 0 | 0 | 0 | 0 | 111.5 | R135 T143 K144 | R135-C139 PolarHBondContact O-N 2.97Å; C139-T143 WeakPolarHBondContact SG-CG2 3.37Å; C139-K144 HydrophobicContact CB-CG 4.45Å; C139-K144 WeakPolarHBondContact O-CE 3.28Å | ||
| 140 | S | 87.8 | Confident | 85.3 | Confident | 39 Ų | 39 | 82.3 Ų | 82.3 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | trans | -62.6 | 151.5 | 177.1 | 64.8 | 0 | 0 | 0 | 0 | 112.5 | Q134 N138 V142 T143 K144 | Q134-S140 VanDerWaalsContact CD-OG 3.23Å; Q134-S140 PolarHBondContact NE2-OG 3.03Å; Q134-S140 PolarHBondContact OE1-OG 2.83Å; N138-S140 PolarHBondContact O-N 3.3Å; S140-V142 PolarHBondContact O-N 2.89Å; S140-T143 PolarHBondContact O-N 3Å; S140-T143 WeakPolarHBondContact OG-CB 3.39Å; S140-T143 PolarHBondContact OG-N 2.92Å; S140-T143 PolarHBondContact OG-OG1 3.21Å; S140-T143 VanDerWaalsContact OG-OG1 3.05Å; S140-K144 PolarHBondContact O-N 3.02Å | ||
| 141 | I | 89 | Confident | 85.2 | Confident | 142 Ų | 142 | 79.7 Ų | 79.7 | 73% | 0.728 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -55.7 | -40.6 | 174.6 | -63.9 | 168.6 | 0 | 0 | 0 | 111 | T143 K144 L145 | I141-T143 VanDerWaalsContact C-N 3.31Å; I141-T143 PolarHBondContact O-N 2.69Å; I141-K144 PolarHBondContact O-N 2.83Å; I141-L145 WeakPolarHBondContact O-CB 3.39Å; I141-L145 PolarHBondContact O-N 2.54Å |
| 142 | V | 89.2 | Confident | 85.1 | Confident | 93 Ų | 93 | 81.1 Ų | 81.1 | 56% | 0.564 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -58.1 | -43.5 | 176.8 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | S140 Y146 | S140-V142 PolarHBondContact O-N 2.89Å; V142-Y146 VanDerWaalsContact O-CB 3.28Å; V142-Y146 WeakPolarHBondContact O-CB 3.43Å; V142-Y146 PolarHBondContact O-N 3.29Å |
| 143 | T | 88.8 | Confident | 84.7 | Confident | 4 Ų | 4 | 82.4 Ų | 82.4 | 3% | 0.025 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -71.2 | -39 | 178.4 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | W131 Q134 C139 S140 I141 L145 Y146 M147 | W131-T143 HydrophobicContact CB-CG2 3.4Å; W131-T143 VanDerWaalsContact CB-CG2 3.4Å; Q134-T143 VanDerWaalsContact CD-OG1 3.32Å; Q134-T143 PolarHBondContact NE2-OG1 2.92Å; Q134-T143 VanDerWaalsContact OE1-CB 3.31Å; Q134-T143 PolarHBondContact OE1-OG1 3.25Å; C139-T143 WeakPolarHBondContact SG-CG2 3.37Å; S140-T143 PolarHBondContact O-N 3Å; S140-T143 WeakPolarHBondContact OG-CB 3.39Å; S140-T143 PolarHBondContact OG-N 2.92Å; S140-T143 PolarHBondContact OG-OG1 3.21Å; S140-T143 VanDerWaalsContact OG-OG1 3.05Å; I141-T143 VanDerWaalsContact C-N 3.31Å; I141-T143 PolarHBondContact O-N 2.69Å; T143-L145 VanDerWaalsContact C-N 3.35Å; T143-L145 PolarHBondContact O-N 2.64Å; T143-Y146 WeakPolarHBondContact O-CB 3.34Å; T143-Y146 PolarHBondContact O-N 2.89Å; T143-M147 HydrophobicContact CG2-CG 4.26Å; T143-M147 WeakPolarHBondContact O-CB 3.47Å; T143-M147 WeakPolarHBondContact O-CG 3.37Å; T143-M147 PolarHBondContact O-N 3.13Å |
| 144 | K | 88.8 | Confident | 84.4 | Confident | 129 Ų | 129 | 79.8 Ų | 79.8 | 56% | 0.561 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.3 | -46.7 | 173.9 | -67.9 | 177.6 | -178.9 | 176.2 | 0 | 111.3 | C139 S140 I141 M147 L148 | C139-K144 HydrophobicContact CB-CG 4.45Å; C139-K144 WeakPolarHBondContact O-CE 3.28Å; S140-K144 PolarHBondContact O-N 3.02Å; I141-K144 PolarHBondContact O-N 2.83Å; K144-M147 PolarHBondContact O-N 3.24Å; K144-L148 WeakPolarHBondContact O-CB 3.37Å; K144-L148 PolarHBondContact O-N 3.31Å |
| 145 | L | 90.8 | Very high | 83.7 | Confident | 105 Ų | 105 | 84.7 Ų | 84.7 | 55% | 0.55 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.5 | -46 | 176.3 | -177.6 | 63.5 | 0 | 0 | 0 | 111.4 | I141 T143 M147 L148 V149 | I141-L145 WeakPolarHBondContact O-CB 3.39Å; I141-L145 PolarHBondContact O-N 2.54Å; T143-L145 VanDerWaalsContact C-N 3.35Å; T143-L145 PolarHBondContact O-N 2.64Å; L145-M147 VanDerWaalsContact C-N 3.35Å; L145-M147 PolarHBondContact O-N 2.92Å; L145-L148 PolarHBondContact O-N 3.28Å; L145-V149 HydrophobicContact CD1-CG2 4.36Å; L145-V149 HydrophobicContact CG-CG2 4.49Å; L145-V149 WeakPolarHBondContact O-CG2 3.26Å; L145-V149 PolarHBondContact O-N 3.46Å |
| 146 | Y | 91.1 | Very high | 83.8 | Confident | 16 Ų | 16 | 83.4 Ų | 83.4 | 6% | 0.063 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -53.7 | -49.9 | 174.2 | 166.7 | -100 | 0 | 0 | 0 | 112.1 | L125 Y128 W131 V142 T143 L148 V149 L150 | L125-Y146 HydrophobicContact CB-CE2 4.13Å; L125-Y146 HydrophobicContact CD2-CD2 4.25Å; L125-Y146 HydrophobicContact CD2-CE2 4.25Å; L125-Y146 WeakPolarHBondContact O-CE2 3.29Å; L125-Y146 PolarHBondContact O-OH 2.65Å; Y128-Y146 HydrophobicContact CD1-CD1 4.22Å; Y128-Y146 AromaticContact CD1-CD2 3.85Å; Y128-Y146 HydrophobicContact CD1-CD2 3.85Å; Y128-Y146 HydrophobicContact CD1-CE1 4.29Å; Y128-Y146 AromaticContact CD1-CE2 3.91Å; Y128-Y146 HydrophobicContact CD1-CE2 3.91Å; Y128-Y146 AromaticContact CD1-CG 3.99Å; Y128-Y146 HydrophobicContact CD1-CG 3.99Å; Y128-Y146 HydrophobicContact CE1-CD1 4.47Å; Y128-Y146 HydrophobicContact CE1-CD2 4.48Å; Y128-Y146 HydrophobicContact CE1-CG 4.24Å; Y128-Y146 HydrophobicContact CG-CE2 4.47Å; W131-Y146 HydrophobicContact CB-CD1 4.42Å; W131-Y146 HydrophobicContact CB-CE1 4.49Å; W131-Y146 AromaticContact CD1-CE1 3.47Å; W131-Y146 VanDerWaalsContact CD1-CE1 3.47Å; W131-Y146 AromaticContact CD1-CZ 3.99Å; W131-Y146 HydrophobicContact CG-CD1 4.38Å; W131-Y146 AromaticContact CG-CE1 3.97Å; W131-Y146 HydrophobicContact CG-CE1 3.97Å; W131-Y146 AromaticContact NE1-CE1 3.85Å; V142-Y146 VanDerWaalsContact O-CB 3.28Å; V142-Y146 WeakPolarHBondContact O-CB 3.43Å; V142-Y146 PolarHBondContact O-N 3.29Å; T143-Y146 WeakPolarHBondContact O-CB 3.34Å; T143-Y146 PolarHBondContact O-N 2.89Å; Y146-L148 VanDerWaalsContact C-N 3.32Å; Y146-L148 PolarHBondContact O-N 3.05Å; Y146-V149 PolarHBondContact O-N 3.3Å; Y146-L150 HydrophobicContact CE1-CD2 4.17Å; Y146-L150 WeakPolarHBondContact O-CB 3.43Å; Y146-L150 PolarHBondContact O-N 3.18Å |
| 147 | M | 89.7 | Confident | 84.4 | Confident | 39 Ų | 39 | 84.7 Ų | 84.7 | 19% | 0.192 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 180 | -66.8 | -64.6 | -81.2 | 0 | 0 | 111.5 | T143 K144 L145 K151 C294 | T143-M147 HydrophobicContact CG2-CG 4.26Å; T143-M147 WeakPolarHBondContact O-CB 3.47Å; T143-M147 WeakPolarHBondContact O-CG 3.37Å; T143-M147 PolarHBondContact O-N 3.13Å; K144-M147 PolarHBondContact O-N 3.24Å; L145-M147 VanDerWaalsContact C-N 3.35Å; L145-M147 PolarHBondContact O-N 2.92Å; M147-K151 VanDerWaalsContact O-CB 3.26Å; M147-K151 WeakPolarHBondContact O-CB 3.42Å; M147-K151 VanDerWaalsContact O-CG 3.23Å; M147-K151 WeakPolarHBondContact O-CG 3.16Å; M147-K151 PolarHBondContact O-N 3.29Å; M147-C294 HydrophobicContact CE-CB 4.48Å; M147-C294 WeakPolarHBondContact CE-SG 3.49Å |
| 148 | L | 90.3 | Very high | 85.4 | Confident | 105 Ų | 105 | 78.2 Ų | 78.2 | 55% | 0.55 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 176.2 | -176.9 | 144.9 | 0 | 0 | 0 | 111.7 | K144 L145 Y146 S152 | K144-L148 WeakPolarHBondContact O-CB 3.37Å; K144-L148 PolarHBondContact O-N 3.31Å; L145-L148 PolarHBondContact O-N 3.28Å; Y146-L148 VanDerWaalsContact C-N 3.32Å; Y146-L148 PolarHBondContact O-N 3.05Å; L148-S152 VanDerWaalsContact O-CB 3.31Å; L148-S152 WeakPolarHBondContact O-CB 3.38Å; L148-S152 PolarHBondContact O-N 2.87Å; L148-S152 PolarHBondContact O-OG 3.23Å |
| 149 | V | 90.2 | Very high | 86.2 | Confident | 54 Ų | 54 | 73 Ų | 73 | 33% | 0.327 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | L125 L145 Y146 S152 I153 | L125-V149 HydrophobicContact CD1-CG1 4.14Å; L145-V149 HydrophobicContact CD1-CG2 4.36Å; L145-V149 HydrophobicContact CG-CG2 4.49Å; L145-V149 WeakPolarHBondContact O-CG2 3.26Å; L145-V149 PolarHBondContact O-N 3.46Å; Y146-V149 PolarHBondContact O-N 3.3Å; V149-S152 WeakPolarHBondContact O-CB 3.36Å; V149-S152 PolarHBondContact O-N 3.33Å; V149-S152 VanDerWaalsContact O-N 3.12Å; V149-I153 HydrophobicContact CG1-CD1 3.86Å; V149-I153 WeakPolarHBondContact O-CG1 3.43Å; V149-I153 PolarHBondContact O-N 3.13Å |
| 150 | L | 89.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.4 | -49.6 | -179.9 | -173.9 | 61.3 | 0 | 0 | 0 | 111.2 | L126 Y146 S152 I153 L154 V295 | L126-L150 HydrophobicContact CD2-CD1 4.06Å; L126-L150 HydrophobicContact CD2-CD2 4.08Å; Y146-L150 HydrophobicContact CE1-CD2 4.17Å; Y146-L150 WeakPolarHBondContact O-CB 3.43Å; Y146-L150 PolarHBondContact O-N 3.18Å; L150-S152 PolarHBondContact O-N 3.35Å; L150-I153 PolarHBondContact O-N 3.34Å; L150-I153 VanDerWaalsContact O-N 3.15Å; L150-L154 HydrophobicContact CD1-CD1 3.8Å; L150-L154 HydrophobicContact CD1-CD2 4.41Å; L150-L154 HydrophobicContact CD1-CG 3.92Å; L150-L154 HydrophobicContact CG-CD1 3.95Å; L150-L154 HydrophobicContact CG-CG 4.25Å; L150-L154 WeakPolarHBondContact O-CB 3.45Å; L150-L154 VanDerWaalsContact O-CG 3.28Å; L150-L154 WeakPolarHBondContact O-CG 3.49Å; L150-L154 PolarHBondContact O-N 3.3Å; L150-V295 HydrophobicContact CD2-CG2 3.72Å |
| 151 | K | 87.6 | Confident | 87.2 | Confident | 127 Ų | 127 | 71.5 Ų | 71.5 | 55% | 0.552 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.6 | -35.3 | 174.8 | -77.2 | 179.6 | 178.1 | -175.3 | 0 | 112.5 | M147 L154 K155 C294 | M147-K151 VanDerWaalsContact O-CB 3.26Å; M147-K151 WeakPolarHBondContact O-CB 3.42Å; M147-K151 VanDerWaalsContact O-CG 3.23Å; M147-K151 WeakPolarHBondContact O-CG 3.16Å; M147-K151 PolarHBondContact O-N 3.29Å; K151-L154 PolarHBondContact O-N 2.89Å; K151-K155 VanDerWaalsContact O-CG 3.3Å; K151-K155 WeakPolarHBondContact O-CG 3.45Å; K151-C294 HydrophobicContact CG-CB 3.78Å |
| 152 | S | 85.9 | Confident | 87.3 | Confident | 59 Ų | 59 | 65 Ų | 65 | 41% | 0.413 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.2 | -32.9 | 179.9 | -62.5 | 0 | 0 | 0 | 0 | 113.1 | L148 V149 L150 K155 | L148-S152 VanDerWaalsContact O-CB 3.31Å; L148-S152 WeakPolarHBondContact O-CB 3.38Å; L148-S152 PolarHBondContact O-N 2.87Å; L148-S152 PolarHBondContact O-OG 3.23Å; V149-S152 WeakPolarHBondContact O-CB 3.36Å; V149-S152 PolarHBondContact O-N 3.33Å; V149-S152 VanDerWaalsContact O-N 3.12Å; L150-S152 PolarHBondContact O-N 3.35Å; S152-K155 WeakPolarHBondContact O-CG 3.46Å |
| 153 | I | 82.9 | Confident | 87.5 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -79.3 | -35.9 | 176.1 | -62 | 165.6 | 0 | 0 | 0 | 110.8 | P56 I122 L125 V149 L150 K155 | P56-I153 HydrophobicContact CG-CG2 4.38Å; I122-I153 HydrophobicContact CD1-CG2 3.76Å; I122-I153 HydrophobicContact CG1-CG2 3.69Å; L125-I153 HydrophobicContact CD1-CD1 3.47Å; L125-I153 VanDerWaalsContact CD1-CD1 3.47Å; V149-I153 HydrophobicContact CG1-CD1 3.86Å; V149-I153 WeakPolarHBondContact O-CG1 3.43Å; V149-I153 PolarHBondContact O-N 3.13Å; L150-I153 PolarHBondContact O-N 3.34Å; L150-I153 VanDerWaalsContact O-N 3.15Å; I153-K155 VanDerWaalsContact C-N 3.32Å; I153-K155 PolarHBondContact O-N 3.41Å |
| 154 | L | 82.7 | Confident | 87.6 | Confident | 23 Ų | 23 | 61.7 Ų | 61.7 | 12% | 0.12 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -89.3 | 23.4 | -175 | -56.2 | -166.5 | 0 | 0 | 0 | 114.7 | Y55 I122 L150 K151 H156 F163 M291 C294 | Y55-L154 HydrophobicContact CE1-CD2 4.22Å; I122-L154 HydrophobicContact CD1-CD2 4.4Å; L150-L154 HydrophobicContact CD1-CD1 3.8Å; L150-L154 HydrophobicContact CD1-CD2 4.41Å; L150-L154 HydrophobicContact CD1-CG 3.92Å; L150-L154 HydrophobicContact CG-CD1 3.95Å; L150-L154 HydrophobicContact CG-CG 4.25Å; L150-L154 WeakPolarHBondContact O-CB 3.45Å; L150-L154 VanDerWaalsContact O-CG 3.28Å; L150-L154 WeakPolarHBondContact O-CG 3.49Å; L150-L154 PolarHBondContact O-N 3.3Å; K151-L154 PolarHBondContact O-N 2.89Å; L154-H156 VanDerWaalsContact C-N 3.32Å; L154-H156 PolarHBondContact O-N 2.95Å; L154-F163 HydrophobicContact CD1-CE1 3.88Å; L154-F163 HydrophobicContact CD1-CZ 4.19Å; L154-F163 HydrophobicContact CD2-CE1 3.64Å; L154-F163 HydrophobicContact CD2-CZ 4.42Å; L154-F163 HydrophobicContact CG-CE1 4.26Å; L154-M291 HydrophobicContact CD1-CE 4.28Å; L154-C294 WeakPolarHBondContact CD1-O 3.35Å |
| 155 | K | 71.5 | Confident | 87.5 | Confident | 160 Ų | 160 | 56.9 Ų | 56.9 | 70% | 0.696 | 29% | 0.291 | S | S | * | . | trans | -66.4 | -25.3 | -173.1 | -73.4 | -175.6 | -175.3 | -174.5 | 0 | 115.1 | K151 S152 I153 | K151-K155 VanDerWaalsContact O-CG 3.3Å; K151-K155 WeakPolarHBondContact O-CG 3.45Å; S152-K155 WeakPolarHBondContact O-CG 3.46Å; I153-K155 VanDerWaalsContact C-N 3.32Å; I153-K155 PolarHBondContact O-N 3.41Å | ||
| 156 | H | 73.8 | Confident | 87.6 | Confident | 120 Ų | 120 | 51.9 Ų | 51.9 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -83.2 | 144.4 | -174.6 | -65.9 | -56.4 | 0 | 0 | 0 | 112 | Y55 L154 P158 | Y55-H156 HydrophobicContact CE2-CB 4.22Å; L154-H156 VanDerWaalsContact C-N 3.32Å; L154-H156 PolarHBondContact O-N 2.95Å; H156-P158 WeakPolarHBondContact O-CD 3.41Å |
| 157 | E | 80 | Confident | 87.7 | Confident | 172 Ų | 172 | 51.3 Ų | 51.3 | 80% | 0.804 | 26% | 0.264 | S | S | * | . | trans | -57.1 | 107.9 | 176.9 | -69.6 | -168.9 | 155.8 | 0 | 0 | 111 | ||||
| 158 | P | 88.8 | Confident | 88 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 25% | 0.253 | 26% | 0.255 | S | S | . | . | trans | -80.3 | 137 | -177.6 | 32.2 | -30.8 | 0 | 0 | 0 | 110.1 | Y55 H156 F163 P289 | Y55-P158 HydrophobicContact CE2-CB 4.06Å; H156-P158 WeakPolarHBondContact O-CD 3.41Å; P158-F163 HydrophobicContact CB-CD2 4.27Å; P158-F163 HydrophobicContact CB-CE2 3.42Å; P158-F163 VanDerWaalsContact CB-CE2 3.42Å; P158-F163 HydrophobicContact CB-CZ 3.72Å; P158-F163 HydrophobicContact CG-CE2 3.61Å; P158-F163 HydrophobicContact CG-CZ 3.92Å; P158-P289 HydrophobicContact CB-CG 4.14Å; P158-P289 HydrophobicContact CG-CG 3.69Å | ||
| 159 | M | 92.2 | Very high | 88.2 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 9% | 0.089 | 25% | 0.248 | C | C | . | . | trans | -69.4 | 158.6 | 161.9 | -56.8 | 179.7 | 68.3 | 0 | 0 | 110.3 | N48 R51 N161 S162 Q285 | N48-M159 HydrophobicContact CB-CE 3.67Å; R51-M159 HydrophobicContact CB-SD 3.91Å; R51-M159 VanDerWaalsContact CD-SD 3.54Å; R51-M159 HydrophobicContact CG-SD 3.69Å; M159-N161 PolarHBondContact O-N 3.32Å; M159-S162 VanDerWaalsContact CA-OG 3.31Å; M159-S162 WeakPolarHBondContact CA-OG 3.34Å; M159-S162 WeakPolarHBondContact CB-OG 3.28Å; M159-S162 PolarHBondContact N-OG 2.89Å; M159-S162 VanDerWaalsContact O-CB 3.32Å; M159-S162 WeakPolarHBondContact O-CB 3.36Å; M159-S162 PolarHBondContact O-N 3.02Å; M159-S162 PolarHBondContact O-OG 3.48Å; M159-Q285 VanDerWaalsContact CA-O 3.31Å; M159-Q285 WeakPolarHBondContact CA-O 3.33Å; M159-Q285 HydrophobicContact CB-CB 4.01Å; M159-Q285 WeakPolarHBondContact CB-O 3.19Å; M159-Q285 HydrophobicContact CE-CB 3.73Å | ||
| 160 | L | 94.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | -41.4 | -176.9 | -176.5 | 61.2 | 0 | 0 | 0 | 114.1 | I282 Q285 L287 S299 Y302 | L160-I282 HydrophobicContact CD2-CB 4.44Å; L160-I282 HydrophobicContact CD2-CG1 4.39Å; L160-I282 HydrophobicContact CD2-CG2 4.2Å; L160-Q285 HydrophobicContact CB-CB 3.92Å; L160-Q285 HydrophobicContact CB-CG 4.47Å; L160-Q285 PolarHBondContact N-O 3.4Å; L160-L287 WeakPolarHBondContact CA-O 3.42Å; L160-L287 WeakPolarHBondContact CB-O 2.82Å; L160-L287 HydrophobicContact CD1-CB 4.14Å; L160-L287 HydrophobicContact CD1-CD2 4.14Å; L160-L287 HydrophobicContact CD1-CG 4.26Å; L160-L287 HydrophobicContact CD2-CB 4.25Å; L160-L287 HydrophobicContact CD2-CD2 4.47Å; L160-S299 WeakPolarHBondContact O-CB 3.26Å; L160-S299 PolarHBondContact O-OG 3.39Å; L160-Y302 HydrophobicContact CD1-CD2 4.2Å |
| 161 | N | 93.7 | Very high | 88.8 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 7.7 | -176 | -66.4 | -23.6 | 0 | 0 | 0 | 114.9 | M159 F163 Q164 | M159-N161 PolarHBondContact O-N 3.32Å; N161-F163 PolarHBondContact O-N 2.96Å; N161-F163 VanDerWaalsContact O-N 3.15Å; N161-Q164 HydrophobicContact CB-CG 3.91Å; N161-Q164 WeakPolarHBondContact O-CG 3.47Å; N161-Q164 PolarHBondContact O-N 3.4Å; N161-Q164 VanDerWaalsContact O-N 3.11Å |
| 162 | S | 92.5 | Very high | 89.2 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.8 | -175.5 | -55.2 | 0 | 0 | 0 | 0 | 113.6 | M159 | M159-S162 VanDerWaalsContact CA-OG 3.31Å; M159-S162 WeakPolarHBondContact CA-OG 3.34Å; M159-S162 WeakPolarHBondContact CB-OG 3.28Å; M159-S162 PolarHBondContact N-OG 2.89Å; M159-S162 VanDerWaalsContact O-CB 3.32Å; M159-S162 WeakPolarHBondContact O-CB 3.36Å; M159-S162 PolarHBondContact O-N 3.02Å; M159-S162 PolarHBondContact O-OG 3.48Å |
| 163 | F | 91.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -12.7 | -178.1 | -60.4 | -70.4 | 0 | 0 | 0 | 114.1 | Y55 L154 P158 N161 G165 A166 L167 P289 M291 P296 | Y55-F163 HydrophobicContact CD1-CD1 4.37Å; Y55-F163 HydrophobicContact CD1-CE1 4.28Å; Y55-F163 AromaticContact CE1-CD1 3.86Å; Y55-F163 HydrophobicContact CE1-CD1 3.86Å; Y55-F163 AromaticContact CE1-CE1 3.36Å; Y55-F163 HydrophobicContact CE1-CE1 3.36Å; Y55-F163 AromaticContact CE1-CZ 3.94Å; Y55-F163 HydrophobicContact CE1-CZ 3.94Å; Y55-F163 AromaticContact CZ-CE1 3.86Å; Y55-F163 AromaticContact CZ-CZ 3.98Å; L154-F163 HydrophobicContact CD1-CE1 3.88Å; L154-F163 HydrophobicContact CD1-CZ 4.19Å; L154-F163 HydrophobicContact CD2-CE1 3.64Å; L154-F163 HydrophobicContact CD2-CZ 4.42Å; L154-F163 HydrophobicContact CG-CE1 4.26Å; P158-F163 HydrophobicContact CB-CD2 4.27Å; P158-F163 HydrophobicContact CB-CE2 3.42Å; P158-F163 VanDerWaalsContact CB-CE2 3.42Å; P158-F163 HydrophobicContact CB-CZ 3.72Å; P158-F163 HydrophobicContact CG-CE2 3.61Å; P158-F163 HydrophobicContact CG-CZ 3.92Å; N161-F163 PolarHBondContact O-N 2.96Å; N161-F163 VanDerWaalsContact O-N 3.15Å; F163-G165 PolarHBondContact O-N 3.29Å; F163-G165 VanDerWaalsContact O-N 3.14Å; F163-A166 CarbonylContact O-C 3.55Å; F163-A166 WeakPolarHBondContact O-CA 3.47Å; F163-A166 PolarHBondContact O-N 2.87Å; F163-L167 HydrophobicContact CB-CG 4.43Å; F163-L167 WeakPolarHBondContact O-CG 3.47Å; F163-L167 PolarHBondContact O-N 3.24Å; F163-P289 HydrophobicContact CD2-CB 4.39Å; F163-P289 HydrophobicContact CD2-CG 4.22Å; F163-P289 HydrophobicContact CE2-CG 3.92Å; F163-M291 HydrophobicContact CE2-CE 4.17Å; F163-M291 HydrophobicContact CE2-SD 3.97Å; F163-M291 HydrophobicContact CZ-CE 4.14Å; F163-P296 HydrophobicContact CB-CB 3.88Å; F163-P296 HydrophobicContact CB-CG 3.83Å; F163-P296 HydrophobicContact CD1-CB 4.14Å; F163-P296 HydrophobicContact CD1-CG 3.7Å; F163-P296 HydrophobicContact CD2-CB 3.41Å; F163-P296 VanDerWaalsContact CD2-CB 3.41Å; F163-P296 HydrophobicContact CD2-CG 3.95Å; F163-P296 HydrophobicContact CE1-CG 4.17Å; F163-P296 HydrophobicContact CE2-CB 3.89Å; F163-P296 HydrophobicContact CE2-CG 4.4Å; F163-P296 HydrophobicContact CG-CB 3.55Å; F163-P296 HydrophobicContact CG-CG 3.56Å; F163-P296 HydrophobicContact CZ-CB 4.43Å |
| 164 | Q | 92.1 | Very high | 90.3 | Very high | 25 Ų | 25 | 44 Ų | 44 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -37.7 | -171.1 | -61.8 | -44.4 | -50.7 | 0 | 0 | 112.5 | N161 A166 C298 | N161-Q164 HydrophobicContact CB-CG 3.91Å; N161-Q164 WeakPolarHBondContact O-CG 3.47Å; N161-Q164 PolarHBondContact O-N 3.4Å; N161-Q164 VanDerWaalsContact O-N 3.11Å; Q164-A166 VanDerWaalsContact C-N 3.3Å; Q164-A166 PolarHBondContact O-N 2.86Å; Q164-C298 PolarHBondContact OE1-SG 3.31Å |
| 165 | G | 87.4 | Confident | 91.1 | Very high | 28 Ų | 28 | 43.7 Ų | 43.7 | 29% | 0.289 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -14 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R119 F163 | R119-G165 VanDerWaalsContact NH2-C 3.26Å; R119-G165 PolarHBondContact NH2-O 3.31Å; F163-G165 PolarHBondContact O-N 3.29Å; F163-G165 VanDerWaalsContact O-N 3.14Å |
| 166 | A | 91.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -8.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I122 K123 F163 Q164 | I122-A166 HydrophobicContact CB-CB 4.2Å; I122-A166 HydrophobicContact CG2-CB 3.8Å; K123-A166 WeakPolarHBondContact CA-O 3.32Å; K123-A166 VanDerWaalsContact CB-O 3.25Å; K123-A166 WeakPolarHBondContact CB-O 3.47Å; F163-A166 CarbonylContact O-C 3.55Å; F163-A166 WeakPolarHBondContact O-CA 3.47Å; F163-A166 PolarHBondContact O-N 2.87Å; Q164-A166 VanDerWaalsContact C-N 3.3Å; Q164-A166 PolarHBondContact O-N 2.86Å |
| 167 | L | 94.7 | Very high | 93.5 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -67.1 | 141.4 | 175 | -76.6 | 170.3 | 0 | 0 | 0 | 111.2 | L126 F163 P296 C298 R606 | L126-L167 HydrophobicContact CD1-CD2 4.2Å; F163-L167 HydrophobicContact CB-CG 4.43Å; F163-L167 WeakPolarHBondContact O-CG 3.47Å; F163-L167 PolarHBondContact O-N 3.24Å; L167-P296 HydrophobicContact CD2-CG 4.16Å; L167-C298 HydrophobicContact CD1-CB 3.83Å; L167-R606 HydrophobicContact CB-CB 4.1Å |
| 168 | P | 95.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 154 | 172.6 | 27.7 | -32.3 | 0 | 0 | 0 | 111.1 | K123 L126 S127 Y605 R606 | K123-P168 HydrophobicContact CG-CB 4.46Å; L126-P168 HydrophobicContact CB-CG 4.35Å; S127-P168 WeakPolarHBondContact OG-CB 3.48Å; P168-Y605 HydrophobicContact CB-CD1 4.13Å; P168-Y605 HydrophobicContact CG-CD1 3.75Å; P168-Y605 HydrophobicContact CG-CE1 4.15Å; P168-Y605 CarbonylContact O-C 3.53Å; P168-Y605 WeakPolarHBondContact O-CA 3.37Å; P168-R606 PolarHBondContact O-N 2.98Å |
| 169 | R | 94.7 | Very high | 94.8 | Very high | 105 Ų | 105 | 30.5 Ų | 30.5 | 40% | 0.396 | 16% | 0.162 | S | C | . | . | P | Polyproline II helix | trans | -72.5 | 156.4 | 168.1 | -58.4 | -176.7 | -174.9 | 169.8 | -0.4 | 109 | P171 S221 W222 S224 S225 Y605 | R169-P171 WeakPolarHBondContact O-CD 3.46Å; R169-S221 PolarHBondContact NH1-O 3.44Å; R169-W222 VanDerWaalsContact NH1-C 3.34Å; R169-W222 PolarHBondContact NH1-O 2.9Å; R169-S224 WeakPolarHBondContact CD-O 3.37Å; R169-S224 PolarHBondContact NE-O 2.89Å; R169-S225 WeakPolarHBondContact CB-O 3.27Å; R169-S225 WeakPolarHBondContact CG-O 3.36Å; R169-Y605 VanDerWaalsContact O-CD1 3.28Å; R169-Y605 WeakPolarHBondContact O-CD1 3.47Å |
| 170 | L | 95.5 | Very high | 95.1 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 116.6 | 174.1 | -171 | 68.9 | 0 | 0 | 0 | 109.6 | Y227 V228 T602 Y605 S658 | L170-Y227 HydrophobicContact CB-CD1 4.34Å; L170-Y227 HydrophobicContact CB-CE1 4.17Å; L170-Y227 HydrophobicContact CD2-CD1 4.38Å; L170-Y227 HydrophobicContact CD2-CE1 3.81Å; L170-Y227 HydrophobicContact CG-CD1 4.5Å; L170-Y227 HydrophobicContact CG-CE1 3.88Å; L170-Y227 WeakPolarHBondContact O-CD1 3.35Å; L170-Y227 WeakPolarHBondContact O-CE1 3.31Å; L170-V228 HydrophobicContact CD2-CB 4.18Å; L170-V228 HydrophobicContact CD2-CG2 3.57Å; L170-T602 HydrophobicContact CD1-CG2 4.23Å; L170-Y605 HydrophobicContact CB-CG 4.43Å; L170-Y605 HydrophobicContact CD1-CD2 3.33Å; L170-Y605 HydrophobicContact CD1-CE2 3.87Å; L170-Y605 HydrophobicContact CD1-CG 3.78Å; L170-S658 WeakPolarHBondContact CD1-OG 3.47Å; L170-S658 VanDerWaalsContact CG-OG 3.26Å; L170-S658 WeakPolarHBondContact CG-OG 3.25Å |
| 171 | P | 95.2 | Very high | 95.3 | Very high | 61 Ų | 61 | 36.5 Ų | 36.5 | 40% | 0.396 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -67.7 | 135.8 | -178.4 | -21.2 | 33.2 | 0 | 0 | 0 | 111.3 | R169 P173 Y605 S658 | R169-P171 WeakPolarHBondContact O-CD 3.46Å; P171-P173 VanDerWaalsContact O-CD 3.26Å; P171-P173 WeakPolarHBondContact O-CD 3.48Å; P171-Y605 HydrophobicContact CG-CD1 4.35Å; P171-Y605 HydrophobicContact CG-CE1 3.67Å; P171-S658 WeakPolarHBondContact O-CB 3.36Å; P171-S658 PolarHBondContact O-OG 2.98Å |
| 172 | L | 96.2 | Very high | 95.4 | Very high | 38 Ų | 38 | 34.5 Ų | 34.5 | 20% | 0.199 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 116.5 | 173.9 | -178.2 | 62.5 | 0 | 0 | 0 | 109.8 | L217 L218 Y227 | L172-L217 HydrophobicContact CD1-CB 4.44Å; L172-L217 HydrophobicContact CD1-CD2 3.55Å; L172-L217 HydrophobicContact CD1-CG 3.65Å; L172-L217 HydrophobicContact CD2-CB 4.36Å; L172-L217 HydrophobicContact CD2-CG 4.32Å; L172-L218 HydrophobicContact CD2-CB 3.91Å; L172-L218 HydrophobicContact CD2-CD1 4.15Å; L172-Y227 HydrophobicContact CB-CE1 4.37Å; L172-Y227 HydrophobicContact CD1-CD2 4.49Å; L172-Y227 HydrophobicContact CD1-CE1 4.25Å; L172-Y227 HydrophobicContact CD1-CE2 4.02Å |
| 173 | P | 96.4 | Very high | 95.7 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 10% | 0.097 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 157.8 | 175.4 | 26.7 | -34.1 | 0 | 0 | 0 | 111.8 | P171 Q214 Y227 H664 | P171-P173 VanDerWaalsContact O-CD 3.26Å; P171-P173 WeakPolarHBondContact O-CD 3.48Å; P173-Q214 PolarHBondContact O-NE2 2.94Å; P173-Y227 WeakPolarHBondContact CD-OH 3.45Å; P173-H664 HydrophobicContact CG-CB 3.92Å; P173-H664 PolarHBondContact O-CE1 2.95Å |
| 174 | S | 97.2 | Very high | 96 | Very high | 49 Ų | 49 | 39 Ų | 39 | 34% | 0.343 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -67.6 | 144.1 | 174.1 | 87.9 | 0 | 0 | 0 | 0 | 110.5 | D177 T178 | S174-D177 PolarHBondContact O-N 3.2Å; S174-D177 WeakPolarHBondContact OG-CB 3.32Å; S174-D177 PolarHBondContact OG-N 3.45Å; S174-D177 PolarHBondContact OG-OD2 3.04Å; S174-T178 WeakPolarHBondContact O-CB 3.49Å; S174-T178 PolarHBondContact O-N 3.04Å; S174-T178 VanDerWaalsContact O-N 3.08Å; S174-T178 PolarHBondContact O-OG1 3.16Å |
| 175 | L | 98.2 | Very high | 96.2 | Very high | 17 Ų | 17 | 38.3 Ų | 38.3 | 9% | 0.089 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -49.7 | 175.6 | 177.4 | 60.8 | 0 | 0 | 0 | 110.9 | D177 T178 L179 F205 G210 P211 Q214 L668 | L175-D177 VanDerWaalsContact C-N 3.35Å; L175-D177 PolarHBondContact O-N 2.97Å; L175-T178 WeakPolarHBondContact O-CB 3.42Å; L175-T178 PolarHBondContact O-N 3.4Å; L175-T178 VanDerWaalsContact O-N 3.1Å; L175-L179 HydrophobicContact CD1-CD1 3.94Å; L175-L179 HydrophobicContact CD1-CD2 4.42Å; L175-L179 HydrophobicContact CD1-CG 4.01Å; L175-L179 HydrophobicContact CG-CD1 3.97Å; L175-L179 HydrophobicContact CG-CG 4.41Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 2.6Å; L175-F205 HydrophobicContact CD1-CD1 4.34Å; L175-F205 HydrophobicContact CD1-CE1 3.79Å; L175-G210 VanDerWaalsContact CD2-C 3.44Å; L175-P211 HydrophobicContact CD2-CG 4.49Å; L175-Q214 HydrophobicContact CB-CG 4.41Å; L175-L668 HydrophobicContact CD1-CD1 3.92Å |
| 176 | K | 98 | Very high | 96.6 | Very high | 146 Ų | 146 | 37 Ų | 37 | 64% | 0.635 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -55.4 | -46.4 | 179.9 | -176.5 | 179.2 | 179.3 | 179.5 | 0 | 112.4 | T178 L179 R180 | K176-T178 VanDerWaalsContact C-N 3.32Å; K176-T178 PolarHBondContact O-N 3.13Å; K176-L179 PolarHBondContact O-N 3.32Å; K176-R180 WeakPolarHBondContact O-CB 3.37Å; K176-R180 PolarHBondContact O-N 2.94Å |
| 177 | D | 97.9 | Very high | 96.8 | Very high | 66 Ų | 66 | 40.6 Ų | 40.6 | 35% | 0.353 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.9 | -33 | 179.9 | -69.2 | -48.4 | 0 | 0 | 0 | 112.6 | S174 L175 R180 R181 | S174-D177 PolarHBondContact O-N 3.2Å; S174-D177 WeakPolarHBondContact OG-CB 3.32Å; S174-D177 PolarHBondContact OG-N 3.45Å; S174-D177 PolarHBondContact OG-OD2 3.04Å; L175-D177 VanDerWaalsContact C-N 3.35Å; L175-D177 PolarHBondContact O-N 2.97Å; D177-R180 IonicContact OD1-NE 3.93Å; D177-R180 IonicContact OD1-NH2 3.69Å; D177-R181 WeakPolarHBondContact O-CB 3.35Å; D177-R181 WeakPolarHBondContact O-CG 3.37Å; D177-R181 PolarHBondContact O-N 3.46Å |
| 178 | T | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.8 | -48.4 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | S174 L175 K176 R181 H182 V661 H664 L665 | S174-T178 WeakPolarHBondContact O-CB 3.49Å; S174-T178 PolarHBondContact O-N 3.04Å; S174-T178 VanDerWaalsContact O-N 3.08Å; S174-T178 PolarHBondContact O-OG1 3.16Å; L175-T178 WeakPolarHBondContact O-CB 3.42Å; L175-T178 PolarHBondContact O-N 3.4Å; L175-T178 VanDerWaalsContact O-N 3.1Å; K176-T178 VanDerWaalsContact C-N 3.32Å; K176-T178 PolarHBondContact O-N 3.13Å; T178-R181 PolarHBondContact O-N 3.1Å; T178-H182 VanDerWaalsContact O-CB 3.3Å; T178-H182 WeakPolarHBondContact O-CB 3.38Å; T178-H182 PolarHBondContact O-N 3.2Å; T178-V661 HydrophobicContact CG2-CG1 4.16Å; T178-H664 WeakPolarHBondContact CB-ND1 3.46Å; T178-H664 HydrophobicContact CG2-CB 4.19Å; T178-H664 WeakPolarHBondContact CG2-ND1 3.47Å; T178-H664 PolarHBondContact OG1-ND1 3.36Å; T178-L665 HydrophobicContact CG2-CD2 3.81Å; T178-L665 HydrophobicContact CG2-CG 3.97Å |
| 179 | L | 98.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 178.4 | -62.8 | 176.6 | 0 | 0 | 0 | 111.9 | L175 K176 H182 L183 F205 Q206 L665 F681 | L175-L179 HydrophobicContact CD1-CD1 3.94Å; L175-L179 HydrophobicContact CD1-CD2 4.42Å; L175-L179 HydrophobicContact CD1-CG 4.01Å; L175-L179 HydrophobicContact CG-CD1 3.97Å; L175-L179 HydrophobicContact CG-CG 4.41Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 2.6Å; K176-L179 PolarHBondContact O-N 3.32Å; L179-H182 WeakPolarHBondContact O-CB 3.44Å; L179-H182 PolarHBondContact O-N 3.44Å; L179-L183 WeakPolarHBondContact O-CG 3.3Å; L179-L183 PolarHBondContact O-N 2.79Å; L179-F205 HydrophobicContact CD1-CD1 4.16Å; L179-F205 HydrophobicContact CD2-CD1 3.98Å; L179-F205 HydrophobicContact CD2-CE1 4.38Å; L179-Q206 HydrophobicContact CD1-CB 3.59Å; L179-Q206 HydrophobicContact CD1-CG 3.94Å; L179-L665 HydrophobicContact CD2-CD2 4.38Å; L179-F681 HydrophobicContact CD2-CE1 3.56Å; L179-F681 HydrophobicContact CD2-CE2 4.2Å; L179-F681 HydrophobicContact CD2-CZ 3.35Å |
| 180 | R | 98.1 | Very high | 96.9 | Very high | 110 Ų | 110 | 40.8 Ų | 40.8 | 42% | 0.415 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.4 | -50.7 | 174 | -176.8 | -174.2 | 56.2 | 70.3 | 4.4 | 111.8 | K176 D177 H182 L183 E184 | K176-R180 WeakPolarHBondContact O-CB 3.37Å; K176-R180 PolarHBondContact O-N 2.94Å; D177-R180 IonicContact OD1-NE 3.93Å; D177-R180 IonicContact OD1-NH2 3.69Å; R180-H182 VanDerWaalsContact C-N 3.28Å; R180-H182 PolarHBondContact O-N 2.82Å; R180-L183 PolarHBondContact O-N 2.94Å; R180-E184 WeakPolarHBondContact CG-OE1 3.39Å; R180-E184 IonicContact CZ-OE1 3.11Å; R180-E184 IonicContact NH1-OE1 3.18Å; R180-E184 PolarHBondContact NH1-OE1 3.37Å; R180-E184 IonicContact NH1-OE2 2.87Å; R180-E184 PolarHBondContact NH1-OE2 2.66Å; R180-E184 WeakPolarHBondContact O-CG 3.38Å; R180-E184 PolarHBondContact O-N 3.16Å |
| 181 | R | 97.8 | Very high | 96.8 | Very high | 37 Ų | 37 | 48 Ų | 48 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.4 | -33.9 | 178.5 | -74.8 | -171.9 | -61.9 | -92.5 | -1.9 | 112.5 | D177 T178 S185 K659 V661 | D177-R181 WeakPolarHBondContact O-CB 3.35Å; D177-R181 WeakPolarHBondContact O-CG 3.37Å; D177-R181 PolarHBondContact O-N 3.46Å; T178-R181 PolarHBondContact O-N 3.1Å; R181-S185 PolarHBondContact O-N 3.08Å; R181-S185 VanDerWaalsContact O-N 3.08Å; R181-K659 PolarHBondContact NE-O 3.23Å; R181-K659 PolarHBondContact NH2-O 3.34Å; R181-V661 HydrophobicContact CB-CG2 3.64Å |
| 182 | H | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -53.8 | 174.8 | 179.5 | -107.9 | 0 | 0 | 0 | 110.8 | T178 L179 R180 E184 S185 L186 V661 F681 V685 | T178-H182 VanDerWaalsContact O-CB 3.3Å; T178-H182 WeakPolarHBondContact O-CB 3.38Å; T178-H182 PolarHBondContact O-N 3.2Å; L179-H182 WeakPolarHBondContact O-CB 3.44Å; L179-H182 PolarHBondContact O-N 3.44Å; R180-H182 VanDerWaalsContact C-N 3.28Å; R180-H182 PolarHBondContact O-N 2.82Å; H182-E184 PolarHBondContact O-N 3.17Å; H182-S185 WeakPolarHBondContact O-CB 3.48Å; H182-S185 PolarHBondContact O-N 3.22Å; H182-S185 PolarHBondContact O-OG 2.82Å; H182-L186 WeakPolarHBondContact CE1-CD1 3.36Å; H182-L186 PolarHBondContact O-N 3.09Å; H182-V661 HydrophobicContact CB-CG1 3.71Å; H182-F681 AromaticContact ND1-CE2 3.91Å; H182-V685 WeakPolarHBondContact CE1-CG2 3.41Å; H182-V685 VanDerWaalsContact NE2-CG1 3.31Å; H182-V685 WeakPolarHBondContact NE2-CG1 3.33Å; H182-V685 WeakPolarHBondContact NE2-CG2 3.29Å |
| 183 | L | 97.8 | Very high | 96.8 | Very high | 30 Ų | 30 | 58.9 Ų | 58.9 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 176.9 | -68.8 | 173.4 | 0 | 0 | 0 | 112 | L179 R180 S185 L186 E187 Y195 M198 | L179-L183 WeakPolarHBondContact O-CG 3.3Å; L179-L183 PolarHBondContact O-N 2.79Å; R180-L183 PolarHBondContact O-N 2.94Å; L183-S185 PolarHBondContact O-N 2.78Å; L183-L186 PolarHBondContact O-N 2.82Å; L183-E187 PolarHBondContact O-N 2.77Å; L183-Y195 WeakPolarHBondContact O-CE2 3.33Å; L183-M198 HydrophobicContact CD2-CB 4.45Å; L183-M198 HydrophobicContact CD2-CG 3.92Å |
| 184 | E | 97.4 | Very high | 96.7 | Very high | 72 Ų | 72 | 60.8 Ų | 60.8 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.7 | -32.9 | 174.8 | -75.7 | 169.9 | -173.9 | 0 | 0 | 113 | R180 H182 | R180-E184 WeakPolarHBondContact CG-OE1 3.39Å; R180-E184 IonicContact CZ-OE1 3.11Å; R180-E184 IonicContact NH1-OE1 3.18Å; R180-E184 PolarHBondContact NH1-OE1 3.37Å; R180-E184 IonicContact NH1-OE2 2.87Å; R180-E184 PolarHBondContact NH1-OE2 2.66Å; R180-E184 WeakPolarHBondContact O-CG 3.38Å; R180-E184 PolarHBondContact O-N 3.16Å; H182-E184 PolarHBondContact O-N 3.17Å |
| 185 | S | 96.5 | Very high | 96.7 | Very high | 12 Ų | 12 | 60.5 Ų | 60.5 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -78.3 | -22.9 | 177.5 | 77.5 | 0 | 0 | 0 | 0 | 113.8 | R181 H182 L183 R614 | R181-S185 PolarHBondContact O-N 3.08Å; R181-S185 VanDerWaalsContact O-N 3.08Å; H182-S185 WeakPolarHBondContact O-CB 3.48Å; H182-S185 PolarHBondContact O-N 3.22Å; H182-S185 PolarHBondContact O-OG 2.82Å; L183-S185 PolarHBondContact O-N 2.78Å; S185-R614 WeakPolarHBondContact OG-CD 3.29Å; S185-R614 PolarHBondContact OG-NH1 3.08Å |
| 186 | L | 96 | Very high | 96.7 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -92.5 | -25.1 | -179.4 | -67.5 | -175.3 | 0 | 0 | 0 | 113.3 | H182 L183 P188 L189 L190 M198 | H182-L186 WeakPolarHBondContact CE1-CD1 3.36Å; H182-L186 PolarHBondContact O-N 3.09Å; L183-L186 PolarHBondContact O-N 2.82Å; L186-P188 VanDerWaalsContact C-CD 3.45Å; L186-P188 VanDerWaalsContact C-N 3.34Å; L186-L189 HydrophobicContact CD2-CD1 4.34Å; L186-L189 WeakPolarHBondContact O-CA 3.39Å; L186-L189 WeakPolarHBondContact O-CB 3.36Å; L186-L189 PolarHBondContact O-N 3.49Å; L186-L190 HydrophobicContact CB-CD1 4.08Å; L186-L190 HydrophobicContact CB-CG 4.38Å; L186-L190 HydrophobicContact CD1-CD1 4.14Å; L186-L190 PolarHBondContact O-N 3.46Å; L186-M198 HydrophobicContact CD1-CG 3.72Å |
| 187 | E | 95.9 | Very high | 96.7 | Very high | 75 Ų | 75 | 60.8 Ų | 60.8 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -41.5 | -179.7 | -165.5 | -179.9 | 158.5 | 0 | 0 | 114.6 | L183 L189 Y195 K618 | L183-E187 PolarHBondContact O-N 2.77Å; E187-L189 VanDerWaalsContact C-N 3.32Å; E187-Y195 HydrophobicContact CB-CD2 4.37Å; E187-Y195 HydrophobicContact CB-CE2 3.68Å; E187-Y195 HydrophobicContact CG-CE1 4.38Å; E187-Y195 HydrophobicContact CG-CE2 4.12Å; E187-K618 WeakPolarHBondContact OE1-CE 3.44Å; E187-K618 IonicContact OE1-NZ 2.76Å; E187-K618 PolarHBondContact OE1-NZ 2.55Å; E187-K618 WeakPolarHBondContact OE2-CE 3.46Å; E187-K618 IonicContact OE2-NZ 2.86Å; E187-K618 PolarHBondContact OE2-NZ 3.49Å |
| 188 | P | 96.1 | Very high | 96.6 | Very high | 19 Ų | 19 | 57.6 Ų | 57.6 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -11.2 | 175.6 | 31.4 | -36.2 | 0 | 0 | 0 | 114.7 | L186 V616 C621 | L186-P188 VanDerWaalsContact C-CD 3.45Å; L186-P188 VanDerWaalsContact C-N 3.34Å; P188-V616 HydrophobicContact CB-CG1 4.5Å; P188-V616 HydrophobicContact CG-CG1 4.16Å; P188-C621 HydrophobicContact CB-CB 4.4Å |
| 189 | L | 95.4 | Very high | 96.6 | Very high | 43 Ų | 43 | 59.4 Ų | 59.4 | 23% | 0.225 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -31.7 | -173.7 | -69.9 | 173.3 | 0 | 0 | 0 | 113.3 | L186 E187 F593 C594 L595 V616 | L186-L189 HydrophobicContact CD2-CD1 4.34Å; L186-L189 WeakPolarHBondContact O-CA 3.39Å; L186-L189 WeakPolarHBondContact O-CB 3.36Å; L186-L189 PolarHBondContact O-N 3.49Å; E187-L189 VanDerWaalsContact C-N 3.32Å; L189-F593 HydrophobicContact CD2-CB 3.9Å; L189-C594 VanDerWaalsContact CD2-C 3.44Å; L189-L595 HydrophobicContact CD1-CB 4.2Å; L189-L595 HydrophobicContact CD1-CD1 3.77Å; L189-V616 HydrophobicContact CD2-CB 4.19Å; L189-V616 HydrophobicContact CD2-CG1 3.68Å; L189-V616 HydrophobicContact CD2-CG2 4.47Å; L189-V616 HydrophobicContact CG-CB 4.5Å; L189-V616 HydrophobicContact CG-CG1 4.06Å |
| 190 | L | 94.5 | Very high | 96.6 | Very high | 55 Ų | 55 | 66.5 Ų | 66.5 | 29% | 0.288 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -103.5 | 145 | -174.8 | -63.7 | -176.9 | 0 | 0 | 0 | 111.6 | L186 P194 M198 | L186-L190 HydrophobicContact CB-CD1 4.08Å; L186-L190 HydrophobicContact CB-CG 4.38Å; L186-L190 HydrophobicContact CD1-CD1 4.14Å; L186-L190 PolarHBondContact O-N 3.46Å; L190-P194 HydrophobicContact CB-CB 4.44Å; L190-M198 HydrophobicContact CD1-CB 4.49Å |
| 191 | E | 94.2 | Very high | 96.6 | Very high | 159 Ų | 159 | 62.1 Ų | 62.1 | 74% | 0.743 | 29% | 0.291 | S | S | * | . | trans | -68 | 163.6 | 165.4 | -65.7 | -179 | -176 | 0 | 0 | 110.9 | E193 P194 Y195 | E191-E193 PolarHBondContact O-N 3.1Å; E191-P194 HydrophobicContact CB-CG 4.38Å; E191-P194 WeakPolarHBondContact O-CD 3.27Å; E191-Y195 VanDerWaalsContact O-CB 3.23Å; E191-Y195 WeakPolarHBondContact O-CB 3.18Å; E191-Y195 PolarHBondContact O-N 3.34Å | ||
| 192 | K | 95.1 | Very high | 96.6 | Very high | 167 Ų | 167 | 60.5 Ų | 60.5 | 73% | 0.726 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -54.1 | -47.9 | -171.9 | -174.6 | 177.5 | 178.9 | -177.3 | 0 | 113.3 | Y195 D196 | K192-Y195 PolarHBondContact O-N 3.02Å; K192-D196 WeakPolarHBondContact O-CB 3.36Å; K192-D196 PolarHBondContact O-N 2.98Å |
| 193 | E | 96.8 | Very high | 96.6 | Very high | 161 Ų | 161 | 63.3 Ų | 63.3 | 75% | 0.752 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -69.5 | -48.7 | -175.8 | -178.6 | -177.7 | -154.8 | 0 | 0 | 113.2 | E191 Y195 D196 R197 | E191-E193 PolarHBondContact O-N 3.1Å; E193-Y195 VanDerWaalsContact C-N 3.29Å; E193-Y195 PolarHBondContact O-N 3.49Å; E193-D196 PolarHBondContact O-N 2.94Å; E193-R197 PolarHBondContact O-N 3.2Å |
| 194 | P | 94.9 | Very high | 96.6 | Very high | 56 Ų | 56 | 66.8 Ų | 66.8 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56.3 | -40.2 | 169.4 | -26.8 | 33.8 | 0 | 0 | 0 | 113.5 | L190 E191 R197 M198 | L190-P194 HydrophobicContact CB-CB 4.44Å; E191-P194 HydrophobicContact CB-CG 4.38Å; E191-P194 WeakPolarHBondContact O-CD 3.27Å; P194-R197 PolarHBondContact O-N 2.93Å; P194-M198 PolarHBondContact O-N 3.27Å |
| 195 | Y | 96.8 | Very high | 96.6 | Very high | 43 Ų | 43 | 63.6 Ų | 63.6 | 17% | 0.169 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 177.8 | -177.5 | -101.6 | 0 | 0 | 0 | 112.3 | L183 E187 E191 K192 E193 R197 M198 C199 | L183-Y195 WeakPolarHBondContact O-CE2 3.33Å; E187-Y195 HydrophobicContact CB-CD2 4.37Å; E187-Y195 HydrophobicContact CB-CE2 3.68Å; E187-Y195 HydrophobicContact CG-CE1 4.38Å; E187-Y195 HydrophobicContact CG-CE2 4.12Å; E191-Y195 VanDerWaalsContact O-CB 3.23Å; E191-Y195 WeakPolarHBondContact O-CB 3.18Å; E191-Y195 PolarHBondContact O-N 3.34Å; K192-Y195 PolarHBondContact O-N 3.02Å; E193-Y195 VanDerWaalsContact C-N 3.29Å; E193-Y195 PolarHBondContact O-N 3.49Å; Y195-R197 VanDerWaalsContact C-N 3.27Å; Y195-R197 PolarHBondContact O-N 2.96Å; Y195-M198 PolarHBondContact O-N 3.27Å; Y195-M198 VanDerWaalsContact O-N 3.1Å; Y195-C199 VanDerWaalsContact CE1-SG 3.52Å; Y195-C199 PolarHBondContact O-N 3.05Å; Y195-C199 PolarHBondContact O-SG 2.99Å; Y195-C199 VanDerWaalsContact O-SG 3.35Å |
| 196 | D | 97.9 | Very high | 96.7 | Very high | 65 Ų | 65 | 66.2 Ų | 66.2 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 176.9 | -73.7 | -20 | 0 | 0 | 0 | 111.1 | K192 E193 C199 R200 | K192-D196 WeakPolarHBondContact O-CB 3.36Å; K192-D196 PolarHBondContact O-N 2.98Å; E193-D196 PolarHBondContact O-N 2.94Å; D196-C199 WeakPolarHBondContact O-CB 3.38Å; D196-C199 PolarHBondContact O-N 3.15Å; D196-R200 WeakPolarHBondContact O-CG 3.4Å; D196-R200 PolarHBondContact O-N 3.24Å; D196-R200 VanDerWaalsContact O-N 3.09Å; D196-R200 PolarHBondContact O-NH1 3.38Å |
| 197 | R | 96.8 | Very high | 96.8 | Very high | 103 Ų | 103 | 74.9 Ų | 74.9 | 39% | 0.389 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 172.5 | -174.3 | 176.1 | 161.2 | -73 | -2.7 | 111.4 | E193 P194 Y195 C199 R200 L201 E684 | E193-R197 PolarHBondContact O-N 3.2Å; P194-R197 PolarHBondContact O-N 2.93Å; Y195-R197 VanDerWaalsContact C-N 3.27Å; Y195-R197 PolarHBondContact O-N 2.96Å; R197-C199 VanDerWaalsContact C-N 3.33Å; R197-C199 PolarHBondContact O-N 3.01Å; R197-R200 PolarHBondContact O-N 3.3Å; R197-L201 WeakPolarHBondContact O-CG 3.38Å; R197-L201 PolarHBondContact O-N 2.9Å; R197-E684 IonicContact CZ-OE1 3.9Å; R197-E684 IonicContact CZ-OE2 2.7Å; R197-E684 IonicContact NH1-OE1 2.8Å; R197-E684 PolarHBondContact NH1-OE1 3.07Å; R197-E684 IonicContact NH1-OE2 3.78Å; R197-E684 PolarHBondContact NH1-OE2 2.96Å; R197-E684 IonicContact NH2-OE2 3.63Å; R197-E684 PolarHBondContact NH2-OE2 2.94Å |
| 198 | M | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66 | -34.7 | 176.9 | -171.6 | 45.2 | 51.3 | 0 | 0 | 112.9 | L183 L186 L190 P194 Y195 L201 S202 F681 E684 V685 | L183-M198 HydrophobicContact CD2-CB 4.45Å; L183-M198 HydrophobicContact CD2-CG 3.92Å; L186-M198 HydrophobicContact CD1-CG 3.72Å; L190-M198 HydrophobicContact CD1-CB 4.49Å; P194-M198 PolarHBondContact O-N 3.27Å; Y195-M198 PolarHBondContact O-N 3.27Å; Y195-M198 VanDerWaalsContact O-N 3.1Å; M198-L201 HydrophobicContact CE-CD1 3.9Å; M198-L201 PolarHBondContact O-N 3.12Å; M198-L201 HydrophobicContact SD-CB 4.41Å; M198-S202 VanDerWaalsContact O-CB 3.29Å; M198-S202 WeakPolarHBondContact O-CB 3.21Å; M198-S202 PolarHBondContact O-N 3.25Å; M198-S202 PolarHBondContact O-OG 3.4Å; M198-F681 HydrophobicContact SD-CD2 3.72Å; M198-F681 HydrophobicContact SD-CE2 3.76Å; M198-E684 HydrophobicContact CE-CB 4.16Å; M198-E684 HydrophobicContact CE-CG 3.75Å; M198-E684 WeakPolarHBondContact CE-OE1 3.43Å; M198-V685 HydrophobicContact SD-CG2 4.24Å |
| 199 | C | 98 | Very high | 96.8 | Very high | 38 Ų | 38 | 75.8 Ų | 75.8 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 170.8 | -70.9 | 0 | 0 | 0 | 0 | 111.5 | Y195 D196 R197 S202 D203 | Y195-C199 VanDerWaalsContact CE1-SG 3.52Å; Y195-C199 PolarHBondContact O-N 3.05Å; Y195-C199 PolarHBondContact O-SG 2.99Å; Y195-C199 VanDerWaalsContact O-SG 3.35Å; D196-C199 WeakPolarHBondContact O-CB 3.38Å; D196-C199 PolarHBondContact O-N 3.15Å; R197-C199 VanDerWaalsContact C-N 3.33Å; R197-C199 PolarHBondContact O-N 3.01Å; C199-S202 PolarHBondContact O-N 2.61Å; C199-D203 WeakPolarHBondContact O-CB 3.47Å; C199-D203 PolarHBondContact O-N 3.41Å |
| 200 | R | 98.1 | Very high | 96.9 | Very high | 150 Ų | 150 | 73.8 Ų | 73.8 | 57% | 0.566 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.9 | -47.7 | 176.8 | -70 | -171.3 | -63.3 | -86.1 | 7.5 | 112.1 | D196 R197 S202 D203 E204 | D196-R200 WeakPolarHBondContact O-CG 3.4Å; D196-R200 PolarHBondContact O-N 3.24Å; D196-R200 VanDerWaalsContact O-N 3.09Å; D196-R200 PolarHBondContact O-NH1 3.38Å; R197-R200 PolarHBondContact O-N 3.3Å; R200-S202 VanDerWaalsContact C-N 3.32Å; R200-S202 PolarHBondContact O-N 2.95Å; R200-D203 PolarHBondContact O-N 2.95Å; R200-E204 WeakPolarHBondContact O-CB 3.37Å; R200-E204 PolarHBondContact O-N 3.14Å |
| 201 | L | 97.8 | Very high | 97.1 | Very high | 19 Ų | 19 | 73.4 Ų | 73.4 | 10% | 0.099 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 178 | -71.2 | -178.3 | 0 | 0 | 0 | 112.4 | R197 M198 F205 P680 F681 E684 | R197-L201 WeakPolarHBondContact O-CG 3.38Å; R197-L201 PolarHBondContact O-N 2.9Å; M198-L201 HydrophobicContact CE-CD1 3.9Å; M198-L201 PolarHBondContact O-N 3.12Å; M198-L201 HydrophobicContact SD-CB 4.41Å; L201-F205 VanDerWaalsContact O-CB 3.27Å; L201-F205 WeakPolarHBondContact O-CB 3.22Å; L201-F205 PolarHBondContact O-N 3.35Å; L201-P680 HydrophobicContact CD2-CB 3.96Å; L201-F681 HydrophobicContact CB-CB 4.22Å; L201-F681 HydrophobicContact CB-CD2 4.29Å; L201-E684 WeakPolarHBondContact CD1-OE2 3.5Å |
| 202 | S | 97.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 177.1 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | M198 C199 R200 F205 Q206 F681 | M198-S202 VanDerWaalsContact O-CB 3.29Å; M198-S202 WeakPolarHBondContact O-CB 3.21Å; M198-S202 PolarHBondContact O-N 3.25Å; M198-S202 PolarHBondContact O-OG 3.4Å; C199-S202 PolarHBondContact O-N 2.61Å; R200-S202 VanDerWaalsContact C-N 3.32Å; R200-S202 PolarHBondContact O-N 2.95Å; S202-F205 PolarHBondContact O-N 3.24Å; S202-Q206 WeakPolarHBondContact O-CB 3.39Å; S202-Q206 PolarHBondContact O-N 3.07Å; S202-F681 WeakPolarHBondContact OG-CE2 3.26Å |
| 203 | D | 98.1 | Very high | 97.4 | Very high | 59 Ų | 59 | 62.4 Ų | 62.4 | 32% | 0.316 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 177.9 | -177.7 | 63 | 0 | 0 | 0 | 111.9 | C199 R200 Q206 R207 | C199-D203 WeakPolarHBondContact O-CB 3.47Å; C199-D203 PolarHBondContact O-N 3.41Å; R200-D203 PolarHBondContact O-N 2.95Å; D203-Q206 PolarHBondContact O-N 3.33Å; D203-R207 WeakPolarHBondContact O-CG 3.41Å; D203-R207 PolarHBondContact O-N 3.4Å; D203-R207 VanDerWaalsContact O-N 3.07Å; D203-R207 IonicContact OD1-CZ 2.71Å; D203-R207 IonicContact OD1-NE 3.33Å; D203-R207 PolarHBondContact OD1-NE 2.96Å; D203-R207 IonicContact OD1-NH1 3.83Å; D203-R207 IonicContact OD1-NH2 2.99Å; D203-R207 PolarHBondContact OD1-NH2 3.47Å; D203-R207 IonicContact OD2-CZ 3.19Å; D203-R207 IonicContact OD2-NE 3.54Å; D203-R207 IonicContact OD2-NH1 2.82Å; D203-R207 PolarHBondContact OD2-NH1 3.4Å; D203-R207 IonicContact OD2-NH2 2.71Å; D203-R207 PolarHBondContact OD2-NH2 3.23Å |
| 204 | E | 97.9 | Very high | 97.4 | Very high | 103 Ų | 103 | 56.2 Ų | 56.2 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.2 | -49 | 173.8 | -173.8 | -173.5 | 159 | 0 | 0 | 111 | R200 Q206 R207 T208 | R200-E204 WeakPolarHBondContact O-CB 3.37Å; R200-E204 PolarHBondContact O-N 3.14Å; E204-Q206 VanDerWaalsContact C-N 3.29Å; E204-Q206 PolarHBondContact O-N 2.71Å; E204-R207 PolarHBondContact O-N 2.83Å; E204-R207 VanDerWaalsContact O-N 3.14Å; E204-T208 HydrophobicContact CG-CG2 4.2Å; E204-T208 WeakPolarHBondContact O-CB 3.34Å; E204-T208 WeakPolarHBondContact O-CG2 3.48Å; E204-T208 PolarHBondContact O-N 2.87Å; E204-T208 PolarHBondContact O-OG1 3.47Å |
| 205 | F | 98.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.7 | -41.6 | 177.2 | -179.2 | -108.9 | 0 | 0 | 0 | 111.9 | L175 L179 L201 S202 R207 I209 G210 L213 L668 F681 L682 | L175-F205 HydrophobicContact CD1-CD1 4.34Å; L175-F205 HydrophobicContact CD1-CE1 3.79Å; L179-F205 HydrophobicContact CD1-CD1 4.16Å; L179-F205 HydrophobicContact CD2-CD1 3.98Å; L179-F205 HydrophobicContact CD2-CE1 4.38Å; L201-F205 VanDerWaalsContact O-CB 3.27Å; L201-F205 WeakPolarHBondContact O-CB 3.22Å; L201-F205 PolarHBondContact O-N 3.35Å; S202-F205 PolarHBondContact O-N 3.24Å; F205-R207 VanDerWaalsContact C-N 3.3Å; F205-R207 PolarHBondContact O-N 2.87Å; F205-I209 HydrophobicContact CD2-CD1 3.84Å; F205-I209 HydrophobicContact CD2-CG1 3.58Å; F205-I209 HydrophobicContact CE2-CD1 3.86Å; F205-I209 HydrophobicContact CE2-CG1 3.74Å; F205-G210 WeakPolarHBondContact O-CA 3.22Å; F205-G210 PolarHBondContact O-N 3.04Å; F205-L213 HydrophobicContact CE2-CD1 3.77Å; F205-L213 HydrophobicContact CZ-CD1 3.92Å; F205-L668 HydrophobicContact CE1-CD1 4.22Å; F205-L668 HydrophobicContact CZ-CD1 4.25Å; F205-F681 HydrophobicContact CB-CB 3.9Å; F205-F681 HydrophobicContact CB-CD1 3.9Å; F205-F681 HydrophobicContact CB-CG 3.93Å; F205-F681 AromaticContact CD1-CD1 3.48Å; F205-F681 HydrophobicContact CD1-CD1 3.48Å; F205-F681 VanDerWaalsContact CD1-CD1 3.48Å; F205-F681 AromaticContact CD1-CE1 3.7Å; F205-F681 HydrophobicContact CD1-CE1 3.7Å; F205-F681 HydrophobicContact CD1-CG 4.34Å; F205-F681 HydrophobicContact CD2-CB 4.38Å; F205-F681 AromaticContact CD2-CD1 3.95Å; F205-F681 HydrophobicContact CD2-CD1 3.95Å; F205-F681 AromaticContact CE1-CD1 3.9Å; F205-F681 HydrophobicContact CE1-CD1 3.9Å; F205-F681 AromaticContact CE1-CE1 3.92Å; F205-F681 HydrophobicContact CE1-CE1 3.92Å; F205-F681 HydrophobicContact CE2-CD1 4.34Å; F205-F681 HydrophobicContact CG-CB 4.2Å; F205-F681 AromaticContact CG-CD1 3.5Å; F205-F681 HydrophobicContact CG-CD1 3.5Å; F205-F681 VanDerWaalsContact CG-CD1 3.5Å; F205-F681 HydrophobicContact CG-CE1 4.2Å; F205-F681 HydrophobicContact CG-CG 4.04Å; F205-F681 HydrophobicContact CZ-CD1 4.32Å; F205-L682 HydrophobicContact CD2-CG 4.47Å; F205-L682 HydrophobicContact CE1-CD2 4.39Å; F205-L682 HydrophobicContact CE2-CD1 3.61Å; F205-L682 HydrophobicContact CE2-CD2 4.28Å; F205-L682 HydrophobicContact CE2-CG 3.75Å; F205-L682 HydrophobicContact CZ-CD1 3.79Å; F205-L682 HydrophobicContact CZ-CD2 3.89Å; F205-L682 HydrophobicContact CZ-CG 3.88Å |
| 206 | Q | 97.8 | Very high | 97.6 | Very high | 67 Ų | 67 | 65.3 Ų | 65.3 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -33.2 | 178.1 | -167.2 | 176.4 | -46.6 | 0 | 0 | 113 | L179 S202 D203 E204 P211 | L179-Q206 HydrophobicContact CD1-CB 3.59Å; L179-Q206 HydrophobicContact CD1-CG 3.94Å; S202-Q206 WeakPolarHBondContact O-CB 3.39Å; S202-Q206 PolarHBondContact O-N 3.07Å; D203-Q206 PolarHBondContact O-N 3.33Å; E204-Q206 VanDerWaalsContact C-N 3.29Å; E204-Q206 PolarHBondContact O-N 2.71Å; Q206-P211 VanDerWaalsContact O-CD 3.22Å; Q206-P211 WeakPolarHBondContact O-CD 3.38Å; Q206-P211 WeakPolarHBondContact O-CG 3.41Å |
| 207 | R | 97.2 | Very high | 97.6 | Very high | 183 Ų | 183 | 62.2 Ų | 62.2 | 69% | 0.691 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -88.9 | -26.6 | -177.8 | -69.4 | 179.8 | -176.1 | 152.7 | 12.5 | 113.9 | D203 E204 F205 | D203-R207 WeakPolarHBondContact O-CG 3.41Å; D203-R207 PolarHBondContact O-N 3.4Å; D203-R207 VanDerWaalsContact O-N 3.07Å; D203-R207 IonicContact OD1-CZ 2.71Å; D203-R207 IonicContact OD1-NE 3.33Å; D203-R207 PolarHBondContact OD1-NE 2.96Å; D203-R207 IonicContact OD1-NH1 3.83Å; D203-R207 IonicContact OD1-NH2 2.99Å; D203-R207 PolarHBondContact OD1-NH2 3.47Å; D203-R207 IonicContact OD2-CZ 3.19Å; D203-R207 IonicContact OD2-NE 3.54Å; D203-R207 IonicContact OD2-NH1 2.82Å; D203-R207 PolarHBondContact OD2-NH1 3.4Å; D203-R207 IonicContact OD2-NH2 2.71Å; D203-R207 PolarHBondContact OD2-NH2 3.23Å; E204-R207 PolarHBondContact O-N 2.83Å; E204-R207 VanDerWaalsContact O-N 3.14Å; F205-R207 VanDerWaalsContact C-N 3.3Å; F205-R207 PolarHBondContact O-N 2.87Å |
| 208 | T | 96.4 | Very high | 97.6 | Very high | 77 Ų | 77 | 60.6 Ų | 60.6 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -99 | -170.9 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | E204 | E204-T208 HydrophobicContact CG-CG2 4.2Å; E204-T208 WeakPolarHBondContact O-CB 3.34Å; E204-T208 WeakPolarHBondContact O-CG2 3.48Å; E204-T208 PolarHBondContact O-N 2.87Å; E204-T208 PolarHBondContact O-OG1 3.47Å |
| 209 | I | 95.8 | Very high | 97.5 | Very high | 37 Ų | 37 | 64.3 Ų | 64.3 | 19% | 0.19 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -26.7 | -172.2 | 58.3 | 171.6 | 0 | 0 | 0 | 113 | F205 K212 L213 S679 | F205-I209 HydrophobicContact CD2-CD1 3.84Å; F205-I209 HydrophobicContact CD2-CG1 3.58Å; F205-I209 HydrophobicContact CE2-CD1 3.86Å; F205-I209 HydrophobicContact CE2-CG1 3.74Å; I209-K212 WeakPolarHBondContact O-CB 3.48Å; I209-K212 PolarHBondContact O-N 3.02Å; I209-L213 WeakPolarHBondContact O-CG 3.43Å; I209-L213 PolarHBondContact O-N 3.34Å; I209-S679 VanDerWaalsContact CD1-CB 3.44Å |
| 210 | G | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54 | -49.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L175 F205 K212 L213 Q214 | L175-G210 VanDerWaalsContact CD2-C 3.44Å; F205-G210 WeakPolarHBondContact O-CA 3.22Å; F205-G210 PolarHBondContact O-N 3.04Å; G210-K212 VanDerWaalsContact C-N 3.3Å; G210-K212 PolarHBondContact O-N 3.13Å; G210-L213 PolarHBondContact O-N 3.24Å; G210-Q214 WeakPolarHBondContact O-CB 3.13Å; G210-Q214 PolarHBondContact O-N 2.61Å |
| 211 | P | 98.1 | Very high | 97.2 | Very high | 47 Ų | 47 | 57.6 Ų | 57.6 | 31% | 0.305 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.8 | -35.7 | 175.7 | -27.2 | 35.8 | 0 | 0 | 0 | 114 | L175 Q206 R215 | L175-P211 HydrophobicContact CD2-CG 4.49Å; Q206-P211 VanDerWaalsContact O-CD 3.22Å; Q206-P211 WeakPolarHBondContact O-CD 3.38Å; Q206-P211 WeakPolarHBondContact O-CG 3.41Å; P211-R215 WeakPolarHBondContact O-CG 3.42Å; P211-R215 PolarHBondContact O-N 3.14Å; P211-R215 VanDerWaalsContact O-N 3.13Å |
| 212 | K | 97.7 | Very high | 96.9 | Very high | 96 Ų | 96 | 63.6 Ų | 63.6 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65 | -49 | 175.5 | -179 | -178.8 | 177.4 | -176.8 | 0 | 110.2 | I209 G210 Q214 R215 Y216 L677 | I209-K212 WeakPolarHBondContact O-CB 3.48Å; I209-K212 PolarHBondContact O-N 3.02Å; G210-K212 VanDerWaalsContact C-N 3.3Å; G210-K212 PolarHBondContact O-N 3.13Å; K212-Q214 VanDerWaalsContact C-N 3.35Å; K212-Q214 PolarHBondContact O-N 3.39Å; K212-R215 PolarHBondContact O-N 3.46Å; K212-Y216 HydrophobicContact CG-CD2 4.29Å; K212-Y216 HydrophobicContact CG-CE2 3.96Å; K212-Y216 VanDerWaalsContact O-CD2 3.27Å; K212-Y216 WeakPolarHBondContact O-CD2 3.41Å; K212-Y216 PolarHBondContact O-N 2.82Å; K212-L677 HydrophobicContact CD-CD1 4.3Å |
| 213 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 177.6 | -59.2 | 177.5 | 0 | 0 | 0 | 111.7 | F205 I209 G210 R215 Y216 L217 L668 I671 L675 L677 L682 | F205-L213 HydrophobicContact CE2-CD1 3.77Å; F205-L213 HydrophobicContact CZ-CD1 3.92Å; I209-L213 WeakPolarHBondContact O-CG 3.43Å; I209-L213 PolarHBondContact O-N 3.34Å; G210-L213 PolarHBondContact O-N 3.24Å; L213-R215 VanDerWaalsContact C-N 3.3Å; L213-R215 PolarHBondContact O-N 2.93Å; L213-Y216 PolarHBondContact O-N 3.39Å; L213-L217 PolarHBondContact O-N 3.41Å; L213-L668 HydrophobicContact CB-CD2 3.71Å; L213-L668 HydrophobicContact CD1-CB 4.5Å; L213-I671 HydrophobicContact CD2-CB 4.15Å; L213-I671 HydrophobicContact CD2-CG2 3.57Å; L213-L675 HydrophobicContact CD2-CD1 3.95Å; L213-L677 HydrophobicContact CD2-CD1 4.22Å; L213-L682 HydrophobicContact CD1-CD1 3.88Å |
| 214 | Q | 98.3 | Very high | 96.1 | Very high | 31 Ų | 31 | 70 Ų | 70 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.3 | -39.6 | 176.2 | -171.3 | 71.4 | 12.1 | 0 | 0 | 112.3 | P173 L175 G210 K212 L217 L218 H664 | P173-Q214 PolarHBondContact O-NE2 2.94Å; L175-Q214 HydrophobicContact CB-CG 4.41Å; G210-Q214 WeakPolarHBondContact O-CB 3.13Å; G210-Q214 PolarHBondContact O-N 2.61Å; K212-Q214 VanDerWaalsContact C-N 3.35Å; K212-Q214 PolarHBondContact O-N 3.39Å; Q214-L217 PolarHBondContact O-N 2.83Å; Q214-L218 WeakPolarHBondContact O-CB 3.21Å; Q214-L218 PolarHBondContact O-N 3.23Å; Q214-H664 PolarHBondContact OE1-CE1 2.69Å; Q214-H664 VanDerWaalsContact OE1-CE1 3.24Å; Q214-H664 PolarHBondContact OE1-NE2 2.79Å |
| 215 | R | 98 | Very high | 95.8 | Very high | 184 Ų | 184 | 66.8 Ų | 66.8 | 69% | 0.694 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.8 | -44.2 | 177.3 | -73.2 | 171.5 | -175.5 | 179.5 | 2.3 | 111.8 | P211 K212 L213 L217 L218 L219 | P211-R215 WeakPolarHBondContact O-CG 3.42Å; P211-R215 PolarHBondContact O-N 3.14Å; P211-R215 VanDerWaalsContact O-N 3.13Å; K212-R215 PolarHBondContact O-N 3.46Å; L213-R215 VanDerWaalsContact C-N 3.3Å; L213-R215 PolarHBondContact O-N 2.93Å; R215-L217 VanDerWaalsContact C-N 3.31Å; R215-L217 PolarHBondContact O-N 2.96Å; R215-L218 WeakPolarHBondContact O-CB 3.43Å; R215-L218 PolarHBondContact O-N 3.03Å; R215-L219 WeakPolarHBondContact O-CG 3.23Å; R215-L219 PolarHBondContact O-N 3.44Å |
| 216 | Y | 97.6 | Very high | 95.6 | Very high | 106 Ų | 106 | 66.8 Ų | 66.8 | 42% | 0.416 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 174 | -78.5 | -73.3 | 0 | 0 | 0 | 111.9 | K212 L213 L218 L219 K220 I671 L675 | K212-Y216 HydrophobicContact CG-CD2 4.29Å; K212-Y216 HydrophobicContact CG-CE2 3.96Å; K212-Y216 VanDerWaalsContact O-CD2 3.27Å; K212-Y216 WeakPolarHBondContact O-CD2 3.41Å; K212-Y216 PolarHBondContact O-N 2.82Å; L213-Y216 PolarHBondContact O-N 3.39Å; Y216-L218 VanDerWaalsContact C-N 3.35Å; Y216-L219 WeakPolarHBondContact O-CB 3.37Å; Y216-L219 PolarHBondContact O-N 2.8Å; Y216-K220 PolarHBondContact O-N 3.28Å; Y216-I671 HydrophobicContact CD2-CG2 4.37Å; Y216-I671 HydrophobicContact CG-CG2 4.29Å; Y216-L675 HydrophobicContact CD2-CD1 3.78Å; Y216-L675 HydrophobicContact CE2-CD1 3.65Å; Y216-L675 HydrophobicContact CE2-CD2 4.41Å |
| 217 | L | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.2 | -35.8 | 178.6 | -165.5 | 53.1 | 0 | 0 | 0 | 112.4 | L172 L213 Q214 R215 K220 S221 Y227 W231 C667 L668 I671 | L172-L217 HydrophobicContact CD1-CB 4.44Å; L172-L217 HydrophobicContact CD1-CD2 3.55Å; L172-L217 HydrophobicContact CD1-CG 3.65Å; L172-L217 HydrophobicContact CD2-CB 4.36Å; L172-L217 HydrophobicContact CD2-CG 4.32Å; L213-L217 PolarHBondContact O-N 3.41Å; Q214-L217 PolarHBondContact O-N 2.83Å; R215-L217 VanDerWaalsContact C-N 3.31Å; R215-L217 PolarHBondContact O-N 2.96Å; L217-K220 HydrophobicContact CD1-CB 4.46Å; L217-K220 HydrophobicContact CD1-CD 4.2Å; L217-K220 WeakPolarHBondContact O-CB 3.42Å; L217-K220 PolarHBondContact O-N 3.45Å; L217-S221 PolarHBondContact O-N 3.34Å; L217-Y227 HydrophobicContact CD1-CD2 3.66Å; L217-Y227 HydrophobicContact CD1-CE2 4.37Å; L217-Y227 HydrophobicContact CD1-CG 4.34Å; L217-Y227 HydrophobicContact CD2-CD2 4.3Å; L217-Y227 HydrophobicContact CD2-CE2 4.2Å; L217-Y227 HydrophobicContact CG-CD2 4.11Å; L217-Y227 HydrophobicContact CG-CE2 4.45Å; L217-W231 HydrophobicContact CD1-CZ3 4.12Å; L217-C667 HydrophobicContact CD1-CB 3.78Å; L217-C667 HydrophobicContact CD2-CB 3.74Å; L217-C667 HydrophobicContact CG-CB 4.46Å; L217-L668 HydrophobicContact CB-CD2 4.46Å; L217-L668 HydrophobicContact CD2-CD2 3.89Å; L217-L668 HydrophobicContact CD2-CG 4.21Å; L217-I671 HydrophobicContact CB-CD1 3.65Å; L217-I671 HydrophobicContact CD1-CD1 3.89Å; L217-I671 HydrophobicContact CG-CD1 4.27Å |
| 218 | L | 97 | Very high | 95.5 | Very high | 69 Ų | 69 | 55.1 Ų | 55.1 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 171.7 | -178.4 | 65.5 | 0 | 0 | 0 | 111.1 | L172 Q214 R215 Y216 K220 S221 W222 | L172-L218 HydrophobicContact CD2-CB 3.91Å; L172-L218 HydrophobicContact CD2-CD1 4.15Å; Q214-L218 WeakPolarHBondContact O-CB 3.21Å; Q214-L218 PolarHBondContact O-N 3.23Å; R215-L218 WeakPolarHBondContact O-CB 3.43Å; R215-L218 PolarHBondContact O-N 3.03Å; Y216-L218 VanDerWaalsContact C-N 3.35Å; L218-K220 PolarHBondContact O-N 3.18Å; L218-S221 WeakPolarHBondContact O-CB 3.27Å; L218-S221 PolarHBondContact O-N 3.45Å; L218-S221 VanDerWaalsContact O-N 3.13Å; L218-S221 PolarHBondContact O-OG 2.88Å; L218-W222 HydrophobicContact CD1-CZ2 4.19Å; L218-W222 HydrophobicContact CD2-CH2 4.35Å; L218-W222 HydrophobicContact CD2-CZ2 3.85Å; L218-W222 HydrophobicContact CG-CZ2 3.82Å; L218-W222 PolarHBondContact O-N 2.83Å |
| 219 | L | 96 | Very high | 95.4 | Very high | 77 Ų | 77 | 52 Ų | 52 | 40% | 0.403 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58 | -47.3 | 174.2 | -68.2 | 171.8 | 0 | 0 | 0 | 111.1 | R215 Y216 S221 W222 F223 | R215-L219 WeakPolarHBondContact O-CG 3.23Å; R215-L219 PolarHBondContact O-N 3.44Å; Y216-L219 WeakPolarHBondContact O-CB 3.37Å; Y216-L219 PolarHBondContact O-N 2.8Å; L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 2.87Å; L219-W222 HydrophobicContact CD2-CE3 3.87Å; L219-W222 HydrophobicContact CD2-CZ3 3.8Å; L219-W222 WeakPolarHBondContact O-CB 3.24Å; L219-W222 PolarHBondContact O-N 2.73Å; L219-F223 WeakPolarHBondContact O-CD2 3.38Å; L219-F223 PolarHBondContact O-N 3.43Å |
| 220 | K | 94.8 | Very high | 95.3 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 13% | 0.13 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.8 | -42.8 | 175.1 | -171.8 | -175.4 | -164.1 | -73.1 | 0 | 111.8 | Y216 L217 L218 W222 F223 S224 Y227 D230 W231 | Y216-K220 PolarHBondContact O-N 3.28Å; L217-K220 HydrophobicContact CD1-CB 4.46Å; L217-K220 HydrophobicContact CD1-CD 4.2Å; L217-K220 WeakPolarHBondContact O-CB 3.42Å; L217-K220 PolarHBondContact O-N 3.45Å; L218-K220 PolarHBondContact O-N 3.18Å; K220-W222 PolarHBondContact O-N 2.94Å; K220-F223 PolarHBondContact O-N 2.85Å; K220-S224 WeakPolarHBondContact O-CB 3.31Å; K220-S224 PolarHBondContact O-N 3.32Å; K220-S224 PolarHBondContact O-OG 2.9Å; K220-Y227 WeakPolarHBondContact CE-O 3.49Å; K220-Y227 PolarHBondContact NZ-O 2.71Å; K220-D230 IonicContact NZ-OD1 3.32Å; K220-D230 PolarHBondContact NZ-OD1 2.99Å; K220-D230 IonicContact NZ-OD2 2.71Å; K220-D230 PolarHBondContact NZ-OD2 2.95Å; K220-W231 HydrophobicContact CD-CD2 4.32Å; K220-W231 HydrophobicContact CD-CE3 4.06Å; K220-W231 HydrophobicContact CD-CH2 3.42Å; K220-W231 VanDerWaalsContact CD-CH2 3.42Å; K220-W231 HydrophobicContact CD-CZ2 3.7Å; K220-W231 HydrophobicContact CD-CZ3 3.61Å; K220-W231 VanDerWaalsContact CE-CD2 3.49Å |
| 221 | S | 94.2 | Very high | 95.1 | Very high | 18 Ų | 18 | 55.5 Ų | 55.5 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.2 | -24.4 | 179.5 | 83.3 | 0 | 0 | 0 | 0 | 113.5 | R169 L217 L218 L219 | R169-S221 PolarHBondContact NH1-O 3.44Å; L217-S221 PolarHBondContact O-N 3.34Å; L218-S221 WeakPolarHBondContact O-CB 3.27Å; L218-S221 PolarHBondContact O-N 3.45Å; L218-S221 VanDerWaalsContact O-N 3.13Å; L218-S221 PolarHBondContact O-OG 2.88Å; L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 2.87Å |
| 222 | W | 90.8 | Very high | 94.9 | Very high | 144 Ų | 144 | 54.3 Ų | 54.3 | 55% | 0.545 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -80.7 | -35.8 | 176.1 | -63.8 | -11.6 | 0 | 0 | 0 | 112.9 | R169 L218 L219 K220 | R169-W222 VanDerWaalsContact NH1-C 3.34Å; R169-W222 PolarHBondContact NH1-O 2.9Å; L218-W222 HydrophobicContact CD1-CZ2 4.19Å; L218-W222 HydrophobicContact CD2-CH2 4.35Å; L218-W222 HydrophobicContact CD2-CZ2 3.85Å; L218-W222 HydrophobicContact CG-CZ2 3.82Å; L218-W222 PolarHBondContact O-N 2.83Å; L219-W222 HydrophobicContact CD2-CE3 3.87Å; L219-W222 HydrophobicContact CD2-CZ3 3.8Å; L219-W222 WeakPolarHBondContact O-CB 3.24Å; L219-W222 PolarHBondContact O-N 2.73Å; K220-W222 PolarHBondContact O-N 2.94Å |
| 223 | F | 89.8 | Confident | 94.8 | Very high | 178 Ų | 178 | 51.3 Ų | 51.3 | 78% | 0.781 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -95.4 | -10.3 | -177 | -63.5 | -69.5 | 0 | 0 | 0 | 114.5 | L219 K220 | L219-F223 WeakPolarHBondContact O-CD2 3.38Å; L219-F223 PolarHBondContact O-N 3.43Å; K220-F223 PolarHBondContact O-N 2.85Å |
| 224 | S | 90.6 | Very high | 94.5 | Very high | 20 Ų | 20 | 54 Ų | 54 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -107.8 | 155 | 176.1 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | R169 K220 N226 Y227 | R169-S224 WeakPolarHBondContact CD-O 3.37Å; R169-S224 PolarHBondContact NE-O 2.89Å; K220-S224 WeakPolarHBondContact O-CB 3.31Å; K220-S224 PolarHBondContact O-N 3.32Å; K220-S224 PolarHBondContact O-OG 2.9Å; S224-N226 VanDerWaalsContact C-N 3.33Å; S224-N226 WeakPolarHBondContact CB-O 3.43Å; S224-N226 PolarHBondContact OG-O 2.92Å; S224-Y227 WeakPolarHBondContact OG-CA 3.43Å |
| 225 | S | 89.9 | Confident | 94.2 | Very high | 34 Ų | 34 | 55 Ų | 55 | 24% | 0.238 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -67.8 | -35.8 | 167.2 | 36.9 | 0 | 0 | 0 | 0 | 111.7 | R169 E607 | R169-S225 WeakPolarHBondContact CB-O 3.27Å; R169-S225 WeakPolarHBondContact CG-O 3.36Å; S225-E607 WeakPolarHBondContact CB-OE1 3.25Å; S225-E607 VanDerWaalsContact CB-OE2 3.31Å; S225-E607 WeakPolarHBondContact CB-OE2 3.41Å; S225-E607 VanDerWaalsContact OG-CD 3.26Å; S225-E607 PolarHBondContact OG-OE1 2.88Å; S225-E607 PolarHBondContact OG-OE2 3.18Å |
| 226 | N | 96 | Very high | 93.8 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | trans | -146.9 | 129.7 | 175.5 | -169.6 | -49.7 | 0 | 0 | 0 | 108.6 | S224 V228 S229 R606 E607 | S224-N226 VanDerWaalsContact C-N 3.33Å; S224-N226 WeakPolarHBondContact CB-O 3.43Å; S224-N226 PolarHBondContact OG-O 2.92Å; N226-V228 VanDerWaalsContact C-N 3.26Å; N226-V228 PolarHBondContact O-N 3.35Å; N226-V228 PolarHBondContact OD1-N 3.42Å; N226-S229 PolarHBondContact ND2-OG 3.07Å; N226-S229 PolarHBondContact OD1-N 3.11Å; N226-S229 PolarHBondContact OD1-OG 3.39Å; N226-R606 PolarHBondContact ND2-O 2.84Å; N226-E607 HydrophobicContact CB-CB 4.15Å | ||
| 227 | Y | 95.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -77.9 | -11.5 | -175.8 | 73.9 | -95.5 | 0 | 0 | 0 | 113.5 | L170 L172 P173 L217 K220 S224 C667 | L170-Y227 HydrophobicContact CB-CD1 4.34Å; L170-Y227 HydrophobicContact CB-CE1 4.17Å; L170-Y227 HydrophobicContact CD2-CD1 4.38Å; L170-Y227 HydrophobicContact CD2-CE1 3.81Å; L170-Y227 HydrophobicContact CG-CD1 4.5Å; L170-Y227 HydrophobicContact CG-CE1 3.88Å; L170-Y227 WeakPolarHBondContact O-CD1 3.35Å; L170-Y227 WeakPolarHBondContact O-CE1 3.31Å; L172-Y227 HydrophobicContact CB-CE1 4.37Å; L172-Y227 HydrophobicContact CD1-CD2 4.49Å; L172-Y227 HydrophobicContact CD1-CE1 4.25Å; L172-Y227 HydrophobicContact CD1-CE2 4.02Å; P173-Y227 WeakPolarHBondContact CD-OH 3.45Å; L217-Y227 HydrophobicContact CD1-CD2 3.66Å; L217-Y227 HydrophobicContact CD1-CE2 4.37Å; L217-Y227 HydrophobicContact CD1-CG 4.34Å; L217-Y227 HydrophobicContact CD2-CD2 4.3Å; L217-Y227 HydrophobicContact CD2-CE2 4.2Å; L217-Y227 HydrophobicContact CG-CD2 4.11Å; L217-Y227 HydrophobicContact CG-CE2 4.45Å; K220-Y227 WeakPolarHBondContact CE-O 3.49Å; K220-Y227 PolarHBondContact NZ-O 2.71Å; S224-Y227 WeakPolarHBondContact OG-CA 3.43Å; Y227-C667 HydrophobicContact CD2-CB 4.38Å; Y227-C667 HydrophobicContact CE2-CB 4.38Å |
| 228 | V | 96.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -104.2 | -44.6 | -175.2 | -179.9 | 0 | 0 | 0 | 0 | 112.6 | L170 N226 D230 W231 W232 R663 | L170-V228 HydrophobicContact CD2-CB 4.18Å; L170-V228 HydrophobicContact CD2-CG2 3.57Å; N226-V228 VanDerWaalsContact C-N 3.26Å; N226-V228 PolarHBondContact O-N 3.35Å; N226-V228 PolarHBondContact OD1-N 3.42Å; V228-D230 PolarHBondContact O-N 2.74Å; V228-W231 PolarHBondContact O-N 3Å; V228-W232 HydrophobicContact CG1-CB 4.07Å; V228-W232 WeakPolarHBondContact O-CB 3.44Å; V228-W232 PolarHBondContact O-N 3.45Å; V228-R663 HydrophobicContact CG1-CB 3.91Å; V228-R663 HydrophobicContact CG1-CG 4.14Å; V228-R663 HydrophobicContact CG2-CB 4.2Å |
| 229 | S | 94.6 | Very high | 93.4 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | -157.1 | -57 | 0 | 0 | 0 | 0 | 115.8 | N226 E233 E607 | N226-S229 PolarHBondContact ND2-OG 3.07Å; N226-S229 PolarHBondContact OD1-N 3.11Å; N226-S229 PolarHBondContact OD1-OG 3.39Å; S229-E233 WeakPolarHBondContact O-CB 3.09Å; S229-E233 PolarHBondContact O-N 2.99Å; S229-E607 WeakPolarHBondContact CB-O 3.3Å; S229-E607 PolarHBondContact OG-O 3.31Å |
| 230 | D | 93.1 | Very high | 93.1 | Very high | 76 Ų | 76 | 45 Ų | 45 | 41% | 0.406 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.3 | -50.4 | 176.7 | 54 | -18.9 | 0 | 0 | 0 | 111.3 | K220 V228 E233 E234 | K220-D230 IonicContact NZ-OD1 3.32Å; K220-D230 PolarHBondContact NZ-OD1 2.99Å; K220-D230 IonicContact NZ-OD2 2.71Å; K220-D230 PolarHBondContact NZ-OD2 2.95Å; V228-D230 PolarHBondContact O-N 2.74Å; D230-E233 PolarHBondContact O-N 3.24Å; D230-E234 WeakPolarHBondContact O-CB 3.45Å; D230-E234 PolarHBondContact O-N 2.65Å |
| 231 | W | 94.6 | Very high | 93.2 | Very high | 33 Ų | 33 | 46 Ų | 46 | 13% | 0.125 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.4 | -36.9 | 177.2 | -72 | -11 | 0 | 0 | 0 | 112.4 | L217 K220 V228 E234 Y235 F666 C667 V670 I671 | L217-W231 HydrophobicContact CD1-CZ3 4.12Å; K220-W231 HydrophobicContact CD-CD2 4.32Å; K220-W231 HydrophobicContact CD-CE3 4.06Å; K220-W231 HydrophobicContact CD-CH2 3.42Å; K220-W231 VanDerWaalsContact CD-CH2 3.42Å; K220-W231 HydrophobicContact CD-CZ2 3.7Å; K220-W231 HydrophobicContact CD-CZ3 3.61Å; K220-W231 VanDerWaalsContact CE-CD2 3.49Å; V228-W231 PolarHBondContact O-N 3Å; W231-E234 PolarHBondContact O-N 3.31Å; W231-Y235 HydrophobicContact CB-CD2 3.85Å; W231-Y235 HydrophobicContact CB-CE2 4.01Å; W231-Y235 AromaticContact CD1-CE2 3.72Å; W231-Y235 HydrophobicContact CG-CD2 4.23Å; W231-Y235 AromaticContact CG-CE2 3.87Å; W231-Y235 HydrophobicContact CG-CE2 3.87Å; W231-Y235 WeakPolarHBondContact O-CB 3.41Å; W231-Y235 WeakPolarHBondContact O-CD2 3.34Å; W231-Y235 PolarHBondContact O-N 3.5Å; W231-F666 HydrophobicContact CB-CE1 3.99Å; W231-F666 HydrophobicContact CB-CZ 4.23Å; W231-F666 WeakPolarHBondContact O-CZ 3.35Å; W231-C667 HydrophobicContact CE3-CB 4.13Å; W231-C667 HydrophobicContact CZ3-CB 4.13Å; W231-V670 HydrophobicContact CD2-CB 4.29Å; W231-V670 HydrophobicContact CD2-CG1 3.63Å; W231-V670 HydrophobicContact CE3-CB 3.94Å; W231-V670 HydrophobicContact CE3-CG1 3.74Å; W231-V670 HydrophobicContact CE3-CG2 4.47Å; W231-V670 HydrophobicContact CG-CG1 4.13Å; W231-V670 HydrophobicContact CH2-CG1 4.17Å; W231-V670 HydrophobicContact CZ2-CG1 4.07Å; W231-V670 HydrophobicContact CZ3-CB 4.17Å; W231-V670 HydrophobicContact CZ3-CG1 4.02Å; W231-I671 HydrophobicContact CH2-CD1 4.02Å; W231-I671 HydrophobicContact CH2-CG1 3.47Å; W231-I671 VanDerWaalsContact CH2-CG1 3.47Å; W231-I671 HydrophobicContact CZ3-CD1 4.12Å; W231-I671 HydrophobicContact CZ3-CG1 3.77Å |
| 232 | W | 94.2 | Very high | 93.2 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -61.7 | -47.8 | 175.5 | -177.2 | -103.9 | 0 | 0 | 0 | 111.3 | V228 V236 Y237 T610 R663 F666 | V228-W232 HydrophobicContact CG1-CB 4.07Å; V228-W232 WeakPolarHBondContact O-CB 3.44Å; V228-W232 PolarHBondContact O-N 3.45Å; W232-V236 HydrophobicContact CD2-CB 4.2Å; W232-V236 HydrophobicContact CD2-CG2 3.84Å; W232-V236 HydrophobicContact CE3-CB 4.19Å; W232-V236 HydrophobicContact CE3-CG2 3.35Å; W232-V236 HydrophobicContact CH2-CB 4.31Å; W232-V236 HydrophobicContact CH2-CG1 3.88Å; W232-V236 HydrophobicContact CH2-CG2 3.84Å; W232-V236 HydrophobicContact CZ2-CB 4.32Å; W232-V236 HydrophobicContact CZ2-CG1 3.84Å; W232-V236 HydrophobicContact CZ2-CG2 4.27Å; W232-V236 HydrophobicContact CZ3-CB 4.27Å; W232-V236 HydrophobicContact CZ3-CG1 4.32Å; W232-V236 HydrophobicContact CZ3-CG2 3.37Å; W232-V236 VanDerWaalsContact O-CB 3.27Å; W232-V236 WeakPolarHBondContact O-CB 3.35Å; W232-V236 PolarHBondContact O-N 3.03Å; W232-V236 VanDerWaalsContact O-N 3.16Å; W232-Y237 AromaticContact CD1-CE2 3.84Å; W232-Y237 AromaticContact NE1-CE2 3.42Å; W232-T610 HydrophobicContact CZ2-CG2 3.65Å; W232-R663 VanDerWaalsContact CH2-NE 3.29Å; W232-R663 VanDerWaalsContact CH2-NH2 3.29Å; W232-R663 VanDerWaalsContact CZ3-CD 3.44Å; W232-R663 VanDerWaalsContact CZ3-CZ 3.44Å; W232-F666 HydrophobicContact CE3-CD1 4.25Å; W232-F666 HydrophobicContact CE3-CE1 4.19Å |
| 233 | E | 94 | Very high | 93.5 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 16% | 0.159 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -59.1 | -48.9 | 175.9 | -177.8 | 167.4 | 116 | 0 | 0 | 111.8 | S229 D230 Y237 L238 R304 L319 | S229-E233 WeakPolarHBondContact O-CB 3.09Å; S229-E233 PolarHBondContact O-N 2.99Å; D230-E233 PolarHBondContact O-N 3.24Å; E233-Y237 PolarHBondContact O-N 3.04Å; E233-L238 HydrophobicContact CG-CD1 4.06Å; E233-L238 HydrophobicContact CG-CG 4.41Å; E233-L238 WeakPolarHBondContact O-CG 3.32Å; E233-L238 PolarHBondContact O-N 3.47Å; E233-L238 VanDerWaalsContact O-N 3.08Å; E233-R304 IonicContact OE1-CZ 3.76Å; E233-R304 IonicContact OE1-NH1 3.18Å; E233-R304 PolarHBondContact OE1-NH1 3.11Å; E233-R304 IonicContact OE2-CZ 2.66Å; E233-R304 IonicContact OE2-NH1 3.49Å; E233-R304 PolarHBondContact OE2-NH1 3.46Å; E233-R304 IonicContact OE2-NH2 2.6Å; E233-R304 PolarHBondContact OE2-NH2 3.37Å; E233-L319 HydrophobicContact CG-CD1 4.24Å |
| 234 | E | 91.9 | Very high | 93.9 | Very high | 57 Ų | 57 | 34.2 Ų | 34.2 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -66.3 | -59.3 | -177.1 | -173 | -179.3 | 163.1 | 0 | 0 | 112.5 | D230 W231 L238 R239 | D230-E234 WeakPolarHBondContact O-CB 3.45Å; D230-E234 PolarHBondContact O-N 2.65Å; W231-E234 PolarHBondContact O-N 3.31Å; E234-L238 CarbonylContact O-C 3.43Å; E234-L238 WeakPolarHBondContact O-CA 3.28Å; E234-L238 WeakPolarHBondContact O-CB 3.38Å; E234-L238 PolarHBondContact O-N 3.29Å; E234-R239 HydrophobicContact CG-CG 4.27Å; E234-R239 WeakPolarHBondContact O-CG 3.28Å; E234-R239 PolarHBondContact O-N 3.37Å; E234-R239 IonicContact OE1-CZ 3.13Å; E234-R239 VanDerWaalsContact OE1-CZ 3.23Å; E234-R239 IonicContact OE1-NE 3.24Å; E234-R239 PolarHBondContact OE1-NE 2.9Å; E234-R239 IonicContact OE1-NH2 3.86Å; E234-R239 PolarHBondContact OE1-NH2 2.99Å |
| 235 | Y | 91.8 | Very high | 94.1 | Very high | 52 Ų | 52 | 33.3 Ų | 33.3 | 20% | 0.204 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -81.2 | -32.4 | -167.8 | -63.6 | -72 | 0 | 0 | 0 | 113.6 | W231 R239 F666 V670 Y674 | W231-Y235 HydrophobicContact CB-CD2 3.85Å; W231-Y235 HydrophobicContact CB-CE2 4.01Å; W231-Y235 AromaticContact CD1-CE2 3.72Å; W231-Y235 HydrophobicContact CG-CD2 4.23Å; W231-Y235 AromaticContact CG-CE2 3.87Å; W231-Y235 HydrophobicContact CG-CE2 3.87Å; W231-Y235 WeakPolarHBondContact O-CB 3.41Å; W231-Y235 WeakPolarHBondContact O-CD2 3.34Å; W231-Y235 PolarHBondContact O-N 3.5Å; Y235-R239 VanDerWaalsContact CE1-CZ 3.42Å; Y235-F666 HydrophobicContact CD2-CZ 4.08Å; Y235-F666 HydrophobicContact CG-CZ 4.42Å; Y235-V670 HydrophobicContact CD2-CG1 4.2Å; Y235-V670 HydrophobicContact CD2-CG2 3.81Å; Y235-V670 HydrophobicContact CE2-CB 4.48Å; Y235-V670 HydrophobicContact CE2-CG1 3.55Å; Y235-V670 HydrophobicContact CE2-CG2 4.03Å; Y235-V670 HydrophobicContact CG-CG2 4.42Å; Y235-Y674 WeakPolarHBondContact OH-CE2 3.42Å; Y235-Y674 VanDerWaalsContact OH-CZ 3.23Å; Y235-Y674 PolarHBondContact OH-OH 2.91Å |
| 236 | V | 89.6 | Confident | 94.4 | Very high | 58 Ų | 58 | 31.8 Ų | 31.8 | 35% | 0.352 | 16% | 0.164 | S | C | . | . | I | π-helix | trans | -84.7 | -38.2 | -177.7 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | W232 F666 | W232-V236 HydrophobicContact CD2-CB 4.2Å; W232-V236 HydrophobicContact CD2-CG2 3.84Å; W232-V236 HydrophobicContact CE3-CB 4.19Å; W232-V236 HydrophobicContact CE3-CG2 3.35Å; W232-V236 HydrophobicContact CH2-CB 4.31Å; W232-V236 HydrophobicContact CH2-CG1 3.88Å; W232-V236 HydrophobicContact CH2-CG2 3.84Å; W232-V236 HydrophobicContact CZ2-CB 4.32Å; W232-V236 HydrophobicContact CZ2-CG1 3.84Å; W232-V236 HydrophobicContact CZ2-CG2 4.27Å; W232-V236 HydrophobicContact CZ3-CB 4.27Å; W232-V236 HydrophobicContact CZ3-CG1 4.32Å; W232-V236 HydrophobicContact CZ3-CG2 3.37Å; W232-V236 VanDerWaalsContact O-CB 3.27Å; W232-V236 WeakPolarHBondContact O-CB 3.35Å; W232-V236 PolarHBondContact O-N 3.03Å; W232-V236 VanDerWaalsContact O-N 3.16Å; V236-F666 HydrophobicContact CG2-CE2 4.14Å; V236-F666 HydrophobicContact CG2-CZ 4.26Å |
| 237 | Y | 93.8 | Very high | 94.4 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 9% | 0.086 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -103.3 | -60.9 | 179.9 | -57.5 | -78.6 | 0 | 0 | 0 | 111.8 | W232 E233 R239 G240 R310 H467 S468 | W232-Y237 AromaticContact CD1-CE2 3.84Å; W232-Y237 AromaticContact NE1-CE2 3.42Å; E233-Y237 PolarHBondContact O-N 3.04Å; Y237-R239 VanDerWaalsContact C-N 3.35Å; Y237-R239 PolarHBondContact O-N 3.41Å; Y237-G240 PolarHBondContact O-N 2.66Å; Y237-R310 PolarHBondContact O-NH1 2.9Å; Y237-R310 VanDerWaalsContact O-NH1 3.12Å; Y237-R310 PolarHBondContact O-NH2 3.31Å; Y237-H467 HydrophobicContact CD1-CB 4.31Å; Y237-H467 HydrophobicContact CE1-CB 3.82Å; Y237-H467 AromaticContact CE1-CG 3.77Å; Y237-H467 PolarHBondContact OH-CE1 2.9Å; Y237-S468 VanDerWaalsContact CB-CB 3.44Å |
| 238 | L | 95.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 36 Ų | 36 | 7% | 0.068 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -73.5 | -20.9 | -165.2 | -59.2 | -179.9 | 0 | 0 | 0 | 114.7 | E233 E234 R241 R310 S316 D317 L319 | E233-L238 HydrophobicContact CG-CD1 4.06Å; E233-L238 HydrophobicContact CG-CG 4.41Å; E233-L238 WeakPolarHBondContact O-CG 3.32Å; E233-L238 PolarHBondContact O-N 3.47Å; E233-L238 VanDerWaalsContact O-N 3.08Å; E234-L238 CarbonylContact O-C 3.43Å; E234-L238 WeakPolarHBondContact O-CA 3.28Å; E234-L238 WeakPolarHBondContact O-CB 3.38Å; E234-L238 PolarHBondContact O-N 3.29Å; L238-R241 PolarHBondContact O-NH2 2.99Å; L238-R310 HydrophobicContact CD2-CG 3.99Å; L238-S316 PolarHBondContact O-OG 3.1Å; L238-D317 HydrophobicContact CB-CB 4.36Å; L238-D317 HydrophobicContact CD2-CB 4.07Å; L238-D317 PolarHBondContact O-N 3.39Å; L238-L319 HydrophobicContact CD2-CG 4.16Å |
| 239 | R | 94.2 | Very high | 94.4 | Very high | 101 Ų | 101 | 35.8 Ų | 35.8 | 38% | 0.381 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -14.6 | 172.9 | -67.8 | -164 | -174.5 | -153.8 | 0.9 | 113.9 | E234 Y235 Y237 R241 | E234-R239 HydrophobicContact CG-CG 4.27Å; E234-R239 WeakPolarHBondContact O-CG 3.28Å; E234-R239 PolarHBondContact O-N 3.37Å; E234-R239 IonicContact OE1-CZ 3.13Å; E234-R239 VanDerWaalsContact OE1-CZ 3.23Å; E234-R239 IonicContact OE1-NE 3.24Å; E234-R239 PolarHBondContact OE1-NE 2.9Å; E234-R239 IonicContact OE1-NH2 3.86Å; E234-R239 PolarHBondContact OE1-NH2 2.99Å; Y235-R239 VanDerWaalsContact CE1-CZ 3.42Å; Y237-R239 VanDerWaalsContact C-N 3.35Å; Y237-R239 PolarHBondContact O-N 3.41Å; R239-R241 PolarHBondContact O-N 2.93Å; R239-R241 PolarHBondContact O-NE 3.36Å |
| 240 | G | 90.5 | Very high | 94.5 | Very high | 32 Ų | 32 | 36.2 Ų | 36.2 | 33% | 0.33 | 19% | 0.186 | S | C | . | . | trans | -58.7 | 129.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y237 R310 | Y237-G240 PolarHBondContact O-N 2.66Å; G240-R310 PolarHBondContact O-NH2 3.18Å | ||
| 241 | R | 96.2 | Very high | 94.7 | Very high | 49 Ų | 49 | 32.6 Ų | 32.6 | 19% | 0.185 | 17% | 0.167 | C | C | . | . | trans | -101 | -14.1 | -174.5 | -69.3 | -50.7 | 84.9 | -165.1 | -14.3 | 113.8 | L238 R239 G313 D317 E381 R382 S383 | L238-R241 PolarHBondContact O-NH2 2.99Å; R239-R241 PolarHBondContact O-N 2.93Å; R239-R241 PolarHBondContact O-NE 3.36Å; R241-G313 PolarHBondContact NH1-O 3.35Å; R241-D317 IonicContact CZ-OD1 2.79Å; R241-D317 IonicContact NH1-OD1 3.77Å; R241-D317 PolarHBondContact NH1-OD1 3.05Å; R241-D317 VanDerWaalsContact NH2-CG 3.3Å; R241-D317 IonicContact NH2-OD1 2.87Å; R241-D317 PolarHBondContact NH2-OD1 3.15Å; R241-D317 IonicContact NH2-OD2 2.8Å; R241-E381 VanDerWaalsContact CB-OE1 3.3Å; R241-E381 WeakPolarHBondContact CB-OE1 3.45Å; R241-E381 WeakPolarHBondContact O-CG 3.34Å; R241-R382 WeakPolarHBondContact O-CG 3.49Å; R241-R382 PolarHBondContact O-N 3.02Å; R241-S383 WeakPolarHBondContact CD-OG 3.14Å | ||
| 242 | S | 95 | Very high | 94.8 | Very high | 70 Ų | 70 | 31.1 Ų | 31.1 | 49% | 0.49 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -62.6 | 151.4 | 177.5 | -52 | 0 | 0 | 0 | 0 | 112.5 | L244 | S242-L244 PolarHBondContact O-N 3.46Š|
| 243 | P | 96.9 | Very high | 94.9 | Very high | 21 Ų | 21 | 30 Ų | 30 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | trans | -45.5 | 130.2 | 169 | -35.7 | 40.7 | 0 | 0 | 0 | 113.8 | N247 A379 L548 | P243-N247 WeakPolarHBondContact O-CB 3.32Å; P243-N247 PolarHBondContact O-N 2.81Å; P243-N247 PolarHBondContact O-ND2 2.75Å; P243-A379 VanDerWaalsContact CB-O 3.3Å; P243-A379 WeakPolarHBondContact CB-O 3.41Å; P243-L548 HydrophobicContact CB-CD1 3.84Å; P243-L548 HydrophobicContact CG-CD1 3.69Å | ||
| 244 | L | 96.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70 | -39 | -175.3 | -59.6 | -171.9 | 0 | 0 | 0 | 113.2 | S242 I246 N247 S248 N249 F447 D448 E466 | S242-L244 PolarHBondContact O-N 3.46Å; L244-I246 VanDerWaalsContact C-N 3.26Å; L244-I246 PolarHBondContact O-N 3.29Å; L244-I246 VanDerWaalsContact O-N 3.08Å; L244-N247 PolarHBondContact O-N 3Å; L244-S248 PolarHBondContact O-N 3.37Å; L244-N249 PolarHBondContact O-N 2.96Å; L244-F447 HydrophobicContact CB-CB 4.2Å; L244-D448 WeakPolarHBondContact CD1-OD1 3.38Å; L244-E466 HydrophobicContact CD1-CG 4.37Å |
| 245 | M | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -42.1 | -46.8 | -172.4 | 174.3 | 176.6 | 82.1 | 0 | 0 | 114.4 | A379 L438 H439 F447 A545 L548 M549 | M245-A379 HydrophobicContact SD-CB 4.12Å; M245-L438 WeakPolarHBondContact O-CD1 3.49Å; M245-H439 HydrophobicContact CE-CB 4.26Å; M245-H439 HydrophobicContact CG-CB 3.23Å; M245-H439 HydrophobicContact SD-CB 3.45Å; M245-H439 WeakPolarHBondContact SD-CB 3.4Å; M245-F447 HydrophobicContact CB-CD1 3.98Å; M245-F447 HydrophobicContact CB-CD2 4.14Å; M245-F447 HydrophobicContact CB-CE1 3.85Å; M245-F447 HydrophobicContact CB-CE2 4.03Å; M245-F447 HydrophobicContact CB-CG 4.11Å; M245-F447 HydrophobicContact CB-CZ 3.86Å; M245-F447 HydrophobicContact CG-CD1 4.26Å; M245-F447 HydrophobicContact CG-CE1 3.62Å; M245-F447 HydrophobicContact CG-CE2 4.03Å; M245-F447 HydrophobicContact CG-CZ 3.47Å; M245-F447 VanDerWaalsContact CG-CZ 3.47Å; M245-F447 HydrophobicContact SD-CE1 4.38Å; M245-F447 HydrophobicContact SD-CE2 3.9Å; M245-F447 HydrophobicContact SD-CZ 3.62Å; M245-A545 HydrophobicContact CE-CB 4.44Å; M245-L548 HydrophobicContact CE-CB 3.87Å; M245-L548 HydrophobicContact CE-CD1 4.35Å; M245-M549 HydrophobicContact CE-CG 3.67Å; M245-M549 HydrophobicContact SD-CG 4.16Å |
| 246 | I | 95.5 | Very high | 94.7 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.015 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -107.3 | -37.8 | -179.5 | -71.5 | 154.2 | 0 | 0 | 0 | 111.7 | L244 L548 V552 | L244-I246 VanDerWaalsContact C-N 3.26Å; L244-I246 PolarHBondContact O-N 3.29Å; L244-I246 VanDerWaalsContact O-N 3.08Å; I246-L548 VanDerWaalsContact CD1-C 3.5Å; I246-L548 HydrophobicContact CD1-CB 3.65Å; I246-L548 VanDerWaalsContact CD1-O 3.22Å; I246-L548 WeakPolarHBondContact CD1-O 3.44Å; I246-V552 HydrophobicContact CB-CG2 4.38Å; I246-V552 HydrophobicContact CD1-CG2 3.63Å; I246-V552 HydrophobicContact CG1-CG2 3.85Å; I246-V552 HydrophobicContact CG2-CG2 3.59Å |
| 247 | N | 95.4 | Very high | 94.4 | Very high | 73 Ų | 73 | 24.3 Ų | 24.3 | 39% | 0.39 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -89.9 | -7.3 | -166.5 | -51.9 | -63.8 | 0 | 0 | 0 | 113.6 | P243 L244 | P243-N247 WeakPolarHBondContact O-CB 3.32Å; P243-N247 PolarHBondContact O-N 2.81Å; P243-N247 PolarHBondContact O-ND2 2.75Å; L244-N247 PolarHBondContact O-N 3Å |
| 248 | S | 95.5 | Very high | 93.9 | Very high | 20 Ų | 20 | 25.4 Ų | 25.4 | 14% | 0.14 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141 | -41.5 | -178.3 | -172.1 | 0 | 0 | 0 | 0 | 113.8 | L244 H467 | L244-S248 PolarHBondContact O-N 3.37Å; S248-H467 VanDerWaalsContact O-CB 3.23Å; S248-H467 WeakPolarHBondContact O-CB 3.39Å |
| 249 | N | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -72 | 151 | -174.2 | -73.5 | 23.7 | 0 | 0 | 0 | 111 | L244 F447 N464 A465 | L244-N249 PolarHBondContact O-N 2.96Å; N249-F447 PolarHBondContact ND2-O 3.36Å; N249-N464 PolarHBondContact ND2-OD1 2.98Å; N249-A465 WeakPolarHBondContact CA-O 3.48Å; N249-A465 WeakPolarHBondContact CB-O 3.46Å | ||
| 250 | Y | 95.7 | Very high | 92.8 | Very high | 21 Ų | 21 | 24.9 Ų | 24.9 | 8% | 0.082 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 164.3 | 171 | 114.2 | -68.6 | 0 | 0 | 0 | 109.4 | L463 N464 A465 I475 G719 | Y250-L463 HydrophobicContact CE1-CD2 3.94Å; Y250-L463 VanDerWaalsContact OH-CD2 3.23Å; Y250-L463 WeakPolarHBondContact OH-CD2 3.23Å; Y250-N464 CarbonylContact O-C 3.57Å; Y250-A465 HydrophobicContact CD1-CB 3.69Å; Y250-A465 HydrophobicContact CE1-CB 3.58Å; Y250-A465 PolarHBondContact N-O 3.39Å; Y250-A465 PolarHBondContact O-N 3.41Å; Y250-I475 HydrophobicContact CD1-CG2 4Å; Y250-I475 HydrophobicContact CE1-CB 4.14Å; Y250-I475 HydrophobicContact CE1-CG1 3.87Å; Y250-I475 HydrophobicContact CE1-CG2 3.2Å; Y250-I475 WeakPolarHBondContact OH-CG2 3.23Å; Y250-G719 CarbonylContact C-O 3.54Å; Y250-G719 VanDerWaalsContact CA-O 3.31Å; Y250-G719 WeakPolarHBondContact CA-O 3.37Å; Y250-G719 WeakPolarHBondContact CB-O 3.21Å |
| 251 | Y | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 164.6 | 175.7 | 73.8 | -82.9 | 0 | 0 | 0 | 113 | V253 A434 G437 L438 L463 M554 G718 G719 H743 | Y251-V253 HydrophobicContact CD2-CG1 4.21Å; Y251-V253 HydrophobicContact CE2-CG1 4.06Å; Y251-A434 HydrophobicContact CE2-CB 3.65Å; Y251-A434 VanDerWaalsContact OH-CB 3.25Å; Y251-A434 WeakPolarHBondContact OH-CB 3.14Å; Y251-G437 VanDerWaalsContact CB-O 3.31Å; Y251-G437 WeakPolarHBondContact CB-O 3.45Å; Y251-L438 HydrophobicContact CD1-CB 3.71Å; Y251-L438 HydrophobicContact CD1-CD1 3.99Å; Y251-L438 HydrophobicContact CD1-CG 4.36Å; Y251-L438 HydrophobicContact CE1-CB 4.21Å; Y251-L438 HydrophobicContact CG-CB 4.25Å; Y251-L463 CarbonylContact C-O 3.59Å; Y251-L463 WeakPolarHBondContact CA-O 3.37Å; Y251-L463 WeakPolarHBondContact CB-O 3.02Å; Y251-M554 HydrophobicContact CE1-CE 3.57Å; Y251-M554 WeakPolarHBondContact OH-CE 3.4Å; Y251-G718 CarbonylContact O-C 3.57Å; Y251-G718 WeakPolarHBondContact O-CA 3.48Å; Y251-G719 VanDerWaalsContact CD1-C 3.48Å; Y251-G719 WeakPolarHBondContact CD1-O 3.35Å; Y251-G719 VanDerWaalsContact CE1-CA 3.45Å; Y251-G719 PolarHBondContact N-O 2.6Å; Y251-G719 PolarHBondContact O-N 3.19Å; Y251-H743 AromaticContact CE2-ND1 3.64Å; Y251-H743 AromaticContact CZ-ND1 3.5Å; Y251-H743 PolarHBondContact OH-ND1 3.18Å |
| 252 | G | 96.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 156.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A462 L463 G717 | G252-A462 CarbonylContact O-C 3.54Å; G252-A462 WeakPolarHBondContact O-CA 3.44Å; G252-L463 PolarHBondContact N-O 3.07Å; G252-L463 PolarHBondContact O-N 3.49Å; G252-G717 CarbonylContact C-O 3.54Å; G252-G717 VanDerWaalsContact CA-O 3.28Å; G252-G717 WeakPolarHBondContact CA-O 3.42Å |
| 253 | V | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 155.4 | 178.8 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | Y251 W433 F479 S715 A716 G717 | Y251-V253 HydrophobicContact CD2-CG1 4.21Å; Y251-V253 HydrophobicContact CE2-CG1 4.06Å; V253-W433 HydrophobicContact CB-CD2 4.42Å; V253-W433 HydrophobicContact CG1-CD2 4.38Å; V253-W433 HydrophobicContact CG1-CG 4.24Å; V253-F479 WeakPolarHBondContact O-CE1 3.4Å; V253-S715 PolarHBondContact O-OG 3.48Å; V253-A716 HydrophobicContact CG2-CB 3.81Å; V253-G717 WeakPolarHBondContact CG2-O 3.43Å; V253-G717 PolarHBondContact N-O 3.35Å |
| 254 | D | 94.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 174.9 | -178.8 | -147.2 | -24.6 | 0 | 0 | 0 | 113.3 | L256 R267 W433 C461 M483 | D254-L256 PolarHBondContact O-N 3.12Å; D254-R267 IonicContact OD1-NH2 3.38Å; D254-R267 PolarHBondContact OD1-NH2 2.92Å; D254-R267 IonicContact OD2-CZ 3.87Å; D254-R267 IonicContact OD2-NE 3.38Å; D254-R267 IonicContact OD2-NH2 3.93Å; D254-R267 PolarHBondContact OD2-NH2 3.19Å; D254-W433 HydrophobicContact CB-CH2 3.66Å; D254-W433 HydrophobicContact CB-CZ2 3.58Å; D254-C461 WeakPolarHBondContact CB-O 3.43Å; D254-C461 PolarHBondContact N-O 3.1Å; D254-C461 VanDerWaalsContact N-O 3.12Å; D254-C461 PolarHBondContact OD2-N 2.98Å; D254-C461 PolarHBondContact OD2-SG 2.7Å; D254-M483 VanDerWaalsContact OD1-SD 3.34Å |
| 255 | A | 91.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 128.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F487 | A255-F487 HydrophobicContact CB-CE2 3.87Å; A255-F487 HydrophobicContact CB-CZ 3.92Å |
| 256 | L | 88 | Confident | 93 | Very high | 23 Ų | 23 | 28.2 Ų | 28.2 | 12% | 0.12 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -80.3 | -37.1 | -177.2 | -61.2 | -174 | 0 | 0 | 0 | 112.3 | D254 Y258 F421 L430 W433 V558 A716 | D254-L256 PolarHBondContact O-N 3.12Å; L256-Y258 VanDerWaalsContact C-N 3.32Å; L256-Y258 PolarHBondContact O-N 3.43Å; L256-F421 HydrophobicContact CB-CD1 3.9Å; L256-F421 HydrophobicContact CB-CE1 4.01Å; L256-F421 HydrophobicContact CB-CG 4.32Å; L256-F421 HydrophobicContact CD1-CD1 4.34Å; L256-F421 HydrophobicContact CD1-CD2 3.96Å; L256-F421 HydrophobicContact CD1-CE1 4.11Å; L256-F421 HydrophobicContact CD1-CE2 3.72Å; L256-F421 HydrophobicContact CD1-CG 4.26Å; L256-F421 HydrophobicContact CD1-CZ 3.79Å; L256-F421 HydrophobicContact CD2-CB 4.26Å; L256-F421 HydrophobicContact CD2-CD1 4.5Å; L256-F421 HydrophobicContact CD2-CD2 4.21Å; L256-F421 HydrophobicContact CD2-CG 4.06Å; L256-F421 HydrophobicContact CG-CD1 4.48Å; L256-F421 HydrophobicContact CG-CG 4.45Å; L256-L430 HydrophobicContact CD1-CD2 4.33Å; L256-L430 HydrophobicContact CD2-CD1 4.03Å; L256-W433 HydrophobicContact CD2-CE3 4.43Å; L256-W433 HydrophobicContact CD2-CH2 4.39Å; L256-W433 HydrophobicContact CD2-CZ3 3.79Å; L256-V558 HydrophobicContact CD1-CG2 3.49Å; L256-V558 VanDerWaalsContact CD1-CG2 3.49Å; L256-A716 HydrophobicContact CD1-CB 3.48Å; L256-A716 VanDerWaalsContact CD1-CB 3.48Å; L256-A716 HydrophobicContact CD2-CB 4.25Å; L256-A716 HydrophobicContact CG-CB 3.71Å |
| 257 | G | 82.3 | Confident | 93 | Very high | 56 Ų | 56 | 28.1 Ų | 28.1 | 58% | 0.577 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -86.7 | 5.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 258 | Y | 84.2 | Confident | 93.2 | Very high | 46 Ų | 46 | 24.6 Ų | 24.6 | 18% | 0.18 | 14% | 0.136 | C | C | . | . | trans | -137 | 127.3 | -173.9 | -168.1 | -103.2 | 0 | 0 | 0 | 113.4 | L256 K460 F487 R505 E712 F713 | L256-Y258 VanDerWaalsContact C-N 3.32Å; L256-Y258 PolarHBondContact O-N 3.43Å; Y258-K460 PolarHBondContact O-NZ 3.22Å; Y258-F487 AromaticContact CD1-CD1 3.47Å; Y258-F487 HydrophobicContact CD1-CD1 3.47Å; Y258-F487 VanDerWaalsContact CD1-CD1 3.47Å; Y258-F487 HydrophobicContact CD1-CD2 4.11Å; Y258-F487 AromaticContact CD1-CE1 3.47Å; Y258-F487 HydrophobicContact CD1-CE1 3.47Å; Y258-F487 VanDerWaalsContact CD1-CE1 3.47Å; Y258-F487 HydrophobicContact CD1-CE2 4.14Å; Y258-F487 AromaticContact CD1-CG 3.8Å; Y258-F487 HydrophobicContact CD1-CG 3.8Å; Y258-F487 AromaticContact CD1-CZ 3.84Å; Y258-F487 HydrophobicContact CD1-CZ 3.84Å; Y258-F487 HydrophobicContact CE1-CB 4.2Å; Y258-F487 AromaticContact CE1-CD1 3.43Å; Y258-F487 HydrophobicContact CE1-CD1 3.43Å; Y258-F487 VanDerWaalsContact CE1-CD1 3.43Å; Y258-F487 AromaticContact CE1-CE1 3.87Å; Y258-F487 HydrophobicContact CE1-CE1 3.87Å; Y258-F487 AromaticContact CE1-CG 3.82Å; Y258-F487 HydrophobicContact CE1-CG 3.82Å; Y258-R505 WeakPolarHBondContact OH-CD 3.39Å; Y258-R505 PolarHBondContact OH-NH1 3.07Å; Y258-E712 VanDerWaalsContact CB-O 3.3Å; Y258-E712 WeakPolarHBondContact CB-O 3.48Å; Y258-E712 HydrophobicContact CD2-CG 4.24Å; Y258-F713 HydrophobicContact CD1-CD1 4.02Å; Y258-F713 HydrophobicContact CD1-CE1 4.02Å; Y258-F713 AromaticContact CD2-CD1 3.97Å; Y258-F713 HydrophobicContact CD2-CD1 3.97Å; Y258-F713 AromaticContact CD2-CE1 3.49Å; Y258-F713 HydrophobicContact CD2-CE1 3.49Å; Y258-F713 VanDerWaalsContact CD2-CE1 3.49Å; Y258-F713 HydrophobicContact CE1-CE1 4.2Å; Y258-F713 AromaticContact CE2-CE1 3.72Å; Y258-F713 HydrophobicContact CE2-CE1 3.72Å; Y258-F713 AromaticContact CG-CD1 3.7Å; Y258-F713 HydrophobicContact CG-CD1 3.7Å; Y258-F713 AromaticContact CG-CE1 3.68Å; Y258-F713 HydrophobicContact CG-CE1 3.68Å | ||
| 259 | D | 83.2 | Confident | 93.3 | Very high | 83 Ų | 83 | 23.7 Ų | 23.7 | 44% | 0.444 | 13% | 0.13 | S | C | . | . | trans | -108.6 | 121.9 | 172.6 | -69.6 | -59.3 | 0 | 0 | 0 | 109.4 | K460 | D259-K460 WeakPolarHBondContact OD1-CE 3.28Å; D259-K460 IonicContact OD1-NZ 3.64Å; D259-K460 PolarHBondContact OD1-NZ 2.78Å; D259-K460 IonicContact OD2-NZ 2.94Å | ||
| 260 | S | 83.6 | Confident | 93.2 | Very high | 20 Ų | 20 | 23.8 Ų | 23.8 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | trans | -91.2 | -50.6 | -177.4 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | R267 Y506 | S260-R267 VanDerWaalsContact OG-CD 3.23Å; S260-R267 WeakPolarHBondContact OG-CD 3.37Å; S260-R267 PolarHBondContact OG-NE 2.9Å; S260-R267 PolarHBondContact OG-NH1 3.38Å; S260-Y506 VanDerWaalsContact O-CD2 3.23Å; S260-Y506 WeakPolarHBondContact O-CD2 3.42Å | ||
| 261 | T | 91.9 | Very high | 93.3 | Very high | 11 Ų | 11 | 22.8 Ų | 22.8 | 7% | 0.067 | 13% | 0.126 | C | C | . | . | trans | -157.6 | 153.5 | 174 | 179.5 | 0 | 0 | 0 | 0 | 109 | K263 A266 R267 Y506 G510 | T261-K263 PolarHBondContact OG1-N 2.91Å; T261-A266 HydrophobicContact CG2-CB 4.08Å; T261-R267 HydrophobicContact CG2-CB 3.82Å; T261-Y506 HydrophobicContact CG2-CD1 3.93Å; T261-Y506 HydrophobicContact CG2-CE1 3.46Å; T261-Y506 VanDerWaalsContact CG2-CE1 3.46Å; T261-Y506 HydrophobicContact CG2-CE2 4.14Å; T261-Y506 HydrophobicContact CG2-CG 4.42Å; T261-G510 PolarHBondContact OG1-O 2.83Å | ||
| 262 | H | 93.6 | Very high | 93.4 | Very high | 132 Ų | 132 | 22.8 Ų | 22.8 | 61% | 0.611 | 13% | 0.126 | S | C | * | . | S | Bend | trans | -92.9 | -0.4 | 170.4 | -60.1 | -59.8 | 0 | 0 | 0 | 112.9 | Q264 | H262-Q264 PolarHBondContact O-N 3.4Š|
| 263 | K | 96.2 | Very high | 93.4 | Very high | 76 Ų | 76 | 24.9 Ų | 24.9 | 33% | 0.33 | 13% | 0.134 | S | C | . | . | trans | -87.3 | 109.1 | 175.3 | -67.9 | -171.6 | -176.4 | -102.4 | 0 | 110.3 | T261 A265 A266 R267 D509 H511 | T261-K263 PolarHBondContact OG1-N 2.91Å; K263-A265 VanDerWaalsContact C-N 3.31Å; K263-A265 PolarHBondContact O-N 3.18Å; K263-A266 HydrophobicContact CB-CB 3.79Å; K263-A266 PolarHBondContact O-N 3.48Å; K263-R267 PolarHBondContact O-N 3.46Å; K263-D509 WeakPolarHBondContact CE-O 3.3Å; K263-H511 VanDerWaalsContact CD-CE1 3.46Å; K263-H511 WeakPolarHBondContact CD-CE1 3.3Å; K263-H511 WeakPolarHBondContact CE-NE2 3.24Å; K263-H511 PolarHBondContact NZ-CE1 3.38Å; K263-H511 VanDerWaalsContact NZ-CE1 3.3Å; K263-H511 PolarHBondContact NZ-NE2 2.91Å | ||
| 264 | Q | 97.9 | Very high | 93.4 | Very high | 19 Ų | 19 | 24.9 Ų | 24.9 | 9% | 0.089 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -51.3 | -47.2 | 178 | -179.6 | 175.2 | 34.7 | 0 | 0 | 113 | H262 A266 R267 A268 L361 L414 D415 I455 S456 | H262-Q264 PolarHBondContact O-N 3.4Å; Q264-A266 PolarHBondContact O-N 2.82Å; Q264-R267 PolarHBondContact O-N 2.97Å; Q264-A268 VanDerWaalsContact O-CB 3.23Å; Q264-A268 WeakPolarHBondContact O-CB 3.48Å; Q264-A268 PolarHBondContact O-N 2.83Å; Q264-L361 HydrophobicContact CB-CD1 4.16Å; Q264-L361 HydrophobicContact CG-CD1 4.01Å; Q264-L414 HydrophobicContact CG-CD2 4.32Å; Q264-D415 PolarHBondContact NE2-O 3.05Å; Q264-I455 HydrophobicContact CG-CG2 4.02Å; Q264-I455 PolarHBondContact NE2-O 2.95Å; Q264-S456 VanDerWaalsContact CG-O 3.27Å; Q264-S456 WeakPolarHBondContact CG-O 3.4Å |
| 265 | A | 98.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 5% | 0.05 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63 | -42.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K263 A268 A269 E354 F357 E358 L361 | K263-A265 VanDerWaalsContact C-N 3.31Å; K263-A265 PolarHBondContact O-N 3.18Å; A265-A268 PolarHBondContact O-N 3.36Å; A265-A269 WeakPolarHBondContact O-CB 3.43Å; A265-A269 PolarHBondContact O-N 3.06Å; A265-E354 HydrophobicContact CB-CG 4.17Å; A265-F357 HydrophobicContact CB-CB 4.02Å; A265-E358 HydrophobicContact CB-CB 4.3Å; A265-E358 HydrophobicContact CB-CG 3.37Å; A265-L361 HydrophobicContact CB-CD1 4.05Å |
| 266 | A | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.3 | -48.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T261 K263 Q264 A268 A269 N270 E354 Y506 G510 C512 | T261-A266 HydrophobicContact CG2-CB 4.08Å; K263-A266 HydrophobicContact CB-CB 3.79Å; K263-A266 PolarHBondContact O-N 3.48Å; Q264-A266 PolarHBondContact O-N 2.82Å; A266-A268 VanDerWaalsContact C-N 3.34Å; A266-A268 PolarHBondContact O-N 3.15Å; A266-A269 PolarHBondContact O-N 3.05Å; A266-N270 PolarHBondContact O-N 3.32Å; A266-E354 WeakPolarHBondContact CB-OE1 3.36Å; A266-Y506 HydrophobicContact CB-CD1 4.02Å; A266-Y506 HydrophobicContact CB-CE1 3.79Å; A266-G510 WeakPolarHBondContact CB-O 3.41Å; A266-C512 PolarHBondContact O-SG 2.69Å |
| 267 | R | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 175.3 | -176.9 | 72.5 | 158.6 | 154.5 | 2 | 111.1 | D254 S260 T261 K263 Q264 A269 N270 M271 I455 G459 D486 | D254-R267 IonicContact OD1-NH2 3.38Å; D254-R267 PolarHBondContact OD1-NH2 2.92Å; D254-R267 IonicContact OD2-CZ 3.87Å; D254-R267 IonicContact OD2-NE 3.38Å; D254-R267 IonicContact OD2-NH2 3.93Å; D254-R267 PolarHBondContact OD2-NH2 3.19Å; S260-R267 VanDerWaalsContact OG-CD 3.23Å; S260-R267 WeakPolarHBondContact OG-CD 3.37Å; S260-R267 PolarHBondContact OG-NE 2.9Å; S260-R267 PolarHBondContact OG-NH1 3.38Å; T261-R267 HydrophobicContact CG2-CB 3.82Å; K263-R267 PolarHBondContact O-N 3.46Å; Q264-R267 PolarHBondContact O-N 2.97Å; R267-A269 VanDerWaalsContact C-N 3.28Å; R267-A269 PolarHBondContact O-N 3.41Å; R267-N270 PolarHBondContact O-N 3.43Å; R267-M271 HydrophobicContact CG-CG 4.12Å; R267-M271 VanDerWaalsContact O-CB 3.31Å; R267-M271 WeakPolarHBondContact O-CB 3.46Å; R267-M271 VanDerWaalsContact O-CG 3.29Å; R267-M271 WeakPolarHBondContact O-CG 3.39Å; R267-M271 PolarHBondContact O-N 2.94Å; R267-I455 HydrophobicContact CB-CG2 4.03Å; R267-I455 HydrophobicContact CG-CD1 4.33Å; R267-I455 HydrophobicContact CG-CG2 3.96Å; R267-G459 WeakPolarHBondContact CD-O 3.43Å; R267-G459 WeakPolarHBondContact CG-O 3.45Å; R267-G459 PolarHBondContact NE-O 3.18Å; R267-D486 IonicContact CZ-OD2 3.2Å; R267-D486 IonicContact NH1-OD2 3.91Å; R267-D486 PolarHBondContact NH1-OD2 2.92Å |
| 268 | A | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60 | -39.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q264 A265 A266 T272 F357 L412 L414 I455 | Q264-A268 VanDerWaalsContact O-CB 3.23Å; Q264-A268 WeakPolarHBondContact O-CB 3.48Å; Q264-A268 PolarHBondContact O-N 2.83Å; A265-A268 PolarHBondContact O-N 3.36Å; A266-A268 VanDerWaalsContact C-N 3.34Å; A266-A268 PolarHBondContact O-N 3.15Å; A268-T272 WeakPolarHBondContact O-CB 3.44Å; A268-T272 PolarHBondContact O-N 3.38Å; A268-T272 PolarHBondContact O-OG1 3.27Å; A268-F357 HydrophobicContact CB-CD2 3.71Å; A268-F357 HydrophobicContact CB-CE2 4.1Å; A268-F357 HydrophobicContact CB-CG 4.45Å; A268-L412 HydrophobicContact CB-CD1 4.26Å; A268-L412 HydrophobicContact CB-CD2 4.25Å; A268-L414 HydrophobicContact CB-CD2 3.64Å; A268-I455 HydrophobicContact CB-CB 4.31Å; A268-I455 HydrophobicContact CB-CG1 3.91Å; A268-I455 HydrophobicContact CB-CG2 4.29Å |
| 269 | A | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.2 | -50.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | A265 A266 R267 T272 Y273 P350 L353 E354 F357 | A265-A269 WeakPolarHBondContact O-CB 3.43Å; A265-A269 PolarHBondContact O-N 3.06Å; A266-A269 PolarHBondContact O-N 3.05Å; R267-A269 VanDerWaalsContact C-N 3.28Å; R267-A269 PolarHBondContact O-N 3.41Å; A269-T272 PolarHBondContact O-N 3.03Å; A269-Y273 WeakPolarHBondContact O-CB 3.39Å; A269-Y273 PolarHBondContact O-N 3.27Å; A269-P350 VanDerWaalsContact CB-O 3.28Å; A269-P350 WeakPolarHBondContact CB-O 3.47Å; A269-L353 HydrophobicContact CB-CB 3.8Å; A269-E354 HydrophobicContact CB-CB 3.77Å; A269-F357 HydrophobicContact CB-CD2 4.17Å; A269-F357 HydrophobicContact CB-CE2 4.31Å |
| 270 | N | 96.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.011 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.2 | -46 | 178.6 | -83.9 | 9.3 | 0 | 0 | 0 | 111.9 | A266 R267 T272 Y273 A274 P350 D486 L490 Y506 C512 | A266-N270 PolarHBondContact O-N 3.32Å; R267-N270 PolarHBondContact O-N 3.43Å; N270-T272 PolarHBondContact O-N 3.19Å; N270-Y273 PolarHBondContact O-N 3.3Å; N270-A274 WeakPolarHBondContact O-CB 3.02Å; N270-A274 PolarHBondContact O-N 2.92Å; N270-P350 WeakPolarHBondContact OD1-CB 3.16Å; N270-D486 HydrophobicContact CB-CB 4.43Å; N270-D486 WeakPolarHBondContact CB-OD1 3.45Å; N270-D486 VanDerWaalsContact CG-OD1 3.3Å; N270-D486 PolarHBondContact ND2-OD1 3.43Å; N270-L490 HydrophobicContact CB-CD1 3.8Å; N270-L490 WeakPolarHBondContact O-CD1 3.19Å; N270-Y506 WeakPolarHBondContact CB-OH 3.46Å; N270-Y506 WeakPolarHBondContact ND2-CE1 3.3Å; N270-Y506 PolarHBondContact ND2-OH 3.02Å; N270-Y506 VanDerWaalsContact ND2-OH 3.1Å; N270-C512 PolarHBondContact OD1-SG 2.82Å |
| 271 | M | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 177.6 | -70.4 | -65 | -69.9 | 0 | 0 | 111.2 | R267 Y273 A274 S275 L453 I455 F479 M483 D486 | R267-M271 HydrophobicContact CG-CG 4.12Å; R267-M271 VanDerWaalsContact O-CB 3.31Å; R267-M271 WeakPolarHBondContact O-CB 3.46Å; R267-M271 VanDerWaalsContact O-CG 3.29Å; R267-M271 WeakPolarHBondContact O-CG 3.39Å; R267-M271 PolarHBondContact O-N 2.94Å; M271-Y273 PolarHBondContact O-N 3.46Å; M271-A274 PolarHBondContact O-N 2.76Å; M271-S275 PolarHBondContact O-N 3.08Å; M271-S275 PolarHBondContact O-OG 2.87Å; M271-L453 HydrophobicContact CB-CD2 3.88Å; M271-L453 HydrophobicContact CE-CD1 4.09Å; M271-I455 HydrophobicContact CB-CD1 4.21Å; M271-I455 HydrophobicContact CG-CD1 4.18Å; M271-F479 HydrophobicContact CE-CE2 4.21Å; M271-M483 HydrophobicContact CE-CG 3.91Å; M271-D486 HydrophobicContact SD-CB 4.11Å |
| 272 | T | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.7 | -48.3 | 174.1 | -68.4 | 0 | 0 | 0 | 0 | 111 | A268 A269 N270 A274 S275 L276 I328 L353 F357 F410 | A268-T272 WeakPolarHBondContact O-CB 3.44Å; A268-T272 PolarHBondContact O-N 3.38Å; A268-T272 PolarHBondContact O-OG1 3.27Å; A269-T272 PolarHBondContact O-N 3.03Å; N270-T272 PolarHBondContact O-N 3.19Å; T272-A274 PolarHBondContact O-N 2.92Å; T272-S275 WeakPolarHBondContact O-CB 3.39Å; T272-S275 PolarHBondContact O-N 2.97Å; T272-L276 HydrophobicContact CG2-CD1 4.04Å; T272-L276 VanDerWaalsContact O-CG 3.23Å; T272-L276 WeakPolarHBondContact O-CG 3.42Å; T272-L276 PolarHBondContact O-N 3.36Å; T272-I328 HydrophobicContact CG2-CD1 3.96Å; T272-L353 HydrophobicContact CG2-CD1 3.9Å; T272-L353 HydrophobicContact CG2-CD2 4.48Å; T272-F357 HydrophobicContact CG2-CZ 4.4Å; T272-F410 HydrophobicContact CG2-CZ 4.02Å |
| 273 | Y | 97.5 | Very high | 96.9 | Very high | 46 Ų | 46 | 18.4 Ų | 18.4 | 18% | 0.18 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 178.5 | -173 | -85.4 | 0 | 0 | 0 | 111.4 | A269 N270 M271 S275 L276 I277 L347 L348 P350 Y485 L490 | A269-Y273 WeakPolarHBondContact O-CB 3.39Å; A269-Y273 PolarHBondContact O-N 3.27Å; N270-Y273 PolarHBondContact O-N 3.3Å; M271-Y273 PolarHBondContact O-N 3.46Å; Y273-S275 VanDerWaalsContact C-N 3.31Å; Y273-S275 PolarHBondContact O-N 2.96Å; Y273-L276 WeakPolarHBondContact O-CB 3.48Å; Y273-L276 PolarHBondContact O-N 2.76Å; Y273-I277 HydrophobicContact CD1-CD1 4.35Å; Y273-I277 HydrophobicContact CD1-CG1 3.73Å; Y273-I277 HydrophobicContact CE1-CD1 3.64Å; Y273-I277 HydrophobicContact CE1-CG1 3.44Å; Y273-I277 VanDerWaalsContact CE1-CG1 3.44Å; Y273-I277 WeakPolarHBondContact O-CG1 3.39Å; Y273-I277 PolarHBondContact O-N 3.43Å; Y273-L347 HydrophobicContact CD2-CD2 3.84Å; Y273-L347 HydrophobicContact CD2-CG 4.39Å; Y273-L347 HydrophobicContact CE2-CD2 3.61Å; Y273-L347 HydrophobicContact CE2-CG 4.19Å; Y273-L348 WeakPolarHBondContact CD2-O 3.23Å; Y273-L348 WeakPolarHBondContact CE2-O 3.3Å; Y273-P350 HydrophobicContact CD1-CG 4.28Å; Y273-P350 HydrophobicContact CD2-CG 3.97Å; Y273-P350 HydrophobicContact CG-CG 3.81Å; Y273-Y485 HydrophobicContact CD1-CE1 4.42Å; Y273-Y485 HydrophobicContact CE1-CE1 4.48Å; Y273-L490 HydrophobicContact CD1-CD1 3.91Å; Y273-L490 HydrophobicContact CD1-CD2 3.63Å; Y273-L490 HydrophobicContact CD1-CG 4.37Å; Y273-L490 HydrophobicContact CE1-CD2 3.8Å; Y273-L490 HydrophobicContact CG-CD1 4.44Å |
| 274 | A | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.8 | -42.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N270 M271 T272 L276 I277 F278 T482 Y485 L490 | N270-A274 WeakPolarHBondContact O-CB 3.02Å; N270-A274 PolarHBondContact O-N 2.92Å; M271-A274 PolarHBondContact O-N 2.76Å; T272-A274 PolarHBondContact O-N 2.92Å; A274-L276 VanDerWaalsContact C-N 3.3Å; A274-L276 PolarHBondContact O-N 3.05Å; A274-I277 PolarHBondContact O-N 3.26Å; A274-F278 PolarHBondContact O-N 3.08Å; A274-T482 HydrophobicContact CB-CG2 4.12Å; A274-Y485 HydrophobicContact CB-CD1 3.73Å; A274-Y485 HydrophobicContact CB-CG 4.29Å; A274-L490 HydrophobicContact CB-CD1 4.3Å |
| 275 | S | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.7 | -40.5 | 174.3 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | M271 T272 Y273 F278 R279 F306 Y478 | M271-S275 PolarHBondContact O-N 3.08Å; M271-S275 PolarHBondContact O-OG 2.87Å; T272-S275 WeakPolarHBondContact O-CB 3.39Å; T272-S275 PolarHBondContact O-N 2.97Å; Y273-S275 VanDerWaalsContact C-N 3.31Å; Y273-S275 PolarHBondContact O-N 2.96Å; S275-F278 PolarHBondContact O-N 3.16Å; S275-R279 WeakPolarHBondContact O-CB 3.41Å; S275-R279 PolarHBondContact O-N 2.78Å; S275-F306 VanDerWaalsContact O-CZ 3.29Å; S275-F306 WeakPolarHBondContact O-CZ 3.41Å; S275-Y478 WeakPolarHBondContact OG-CE2 3.41Å; S275-Y478 PolarHBondContact OG-OH 2.76Å |
| 276 | L | 97.5 | Very high | 96.3 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.037 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -72.6 | -30.7 | 178.3 | -63.5 | 171.6 | 0 | 0 | 0 | 112.9 | T272 Y273 A274 R280 I341 L347 F410 | T272-L276 HydrophobicContact CG2-CD1 4.04Å; T272-L276 VanDerWaalsContact O-CG 3.23Å; T272-L276 WeakPolarHBondContact O-CG 3.42Å; T272-L276 PolarHBondContact O-N 3.36Å; Y273-L276 WeakPolarHBondContact O-CB 3.48Å; Y273-L276 PolarHBondContact O-N 2.76Å; A274-L276 VanDerWaalsContact C-N 3.3Å; A274-L276 PolarHBondContact O-N 3.05Å; L276-R280 WeakPolarHBondContact O-CB 3.46Å; L276-R280 PolarHBondContact O-N 3.14Å; L276-I341 HydrophobicContact CD1-CB 3.75Å; L276-I341 HydrophobicContact CD1-CD1 4.07Å; L276-I341 HydrophobicContact CD1-CG1 4.49Å; L276-I341 HydrophobicContact CD1-CG2 3.71Å; L276-I341 HydrophobicContact CD2-CD1 3.44Å; L276-I341 VanDerWaalsContact CD2-CD1 3.44Å; L276-I341 HydrophobicContact CG-CD1 4.39Å; L276-L347 HydrophobicContact CB-CD1 4.12Å; L276-L347 HydrophobicContact CB-CD2 3.89Å; L276-L347 HydrophobicContact CD1-CD1 3.58Å; L276-L347 HydrophobicContact CD1-CD2 4.39Å; L276-L347 HydrophobicContact CD1-CG 4.37Å; L276-L347 HydrophobicContact CG-CD1 4.38Å; L276-F410 HydrophobicContact CD2-CE1 3.98Å; L276-F410 HydrophobicContact CG-CE1 4.33Å |
| 277 | I | 96.5 | Very high | 96.2 | Very high | 20 Ų | 20 | 25.4 Ų | 25.4 | 10% | 0.103 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.1 | -47.7 | 168.7 | -64.5 | -55 | 0 | 0 | 0 | 110.2 | Y273 A274 R279 R280 L281 L347 F481 Y485 | Y273-I277 HydrophobicContact CD1-CD1 4.35Å; Y273-I277 HydrophobicContact CD1-CG1 3.73Å; Y273-I277 HydrophobicContact CE1-CD1 3.64Å; Y273-I277 HydrophobicContact CE1-CG1 3.44Å; Y273-I277 VanDerWaalsContact CE1-CG1 3.44Å; Y273-I277 WeakPolarHBondContact O-CG1 3.39Å; Y273-I277 PolarHBondContact O-N 3.43Å; A274-I277 PolarHBondContact O-N 3.26Å; I277-R279 VanDerWaalsContact C-N 3.35Å; I277-R279 PolarHBondContact O-N 3.29Å; I277-R280 WeakPolarHBondContact O-CB 3.39Å; I277-R280 PolarHBondContact O-N 3.32Å; I277-R280 VanDerWaalsContact O-N 3.12Å; I277-L281 HydrophobicContact CG2-CD1 4.4Å; I277-L281 WeakPolarHBondContact O-CG 3.38Å; I277-L281 PolarHBondContact O-N 2.9Å; I277-L347 HydrophobicContact CD1-CD2 4.35Å; I277-F481 HydrophobicContact CG2-CE1 4.4Å; I277-F481 HydrophobicContact CG2-CZ 4.26Å; I277-Y485 HydrophobicContact CG1-CE1 4.21Å; I277-Y485 HydrophobicContact CG2-CE2 4.09Å |
| 278 | F | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 177 | -168.4 | -103.6 | 0 | 0 | 0 | 111.8 | A274 S275 R280 L281 I282 L287 Y302 F306 Y478 F481 | A274-F278 PolarHBondContact O-N 3.08Å; S275-F278 PolarHBondContact O-N 3.16Å; F278-R280 VanDerWaalsContact C-N 3.32Å; F278-R280 PolarHBondContact O-N 3.07Å; F278-L281 WeakPolarHBondContact O-CB 3.27Å; F278-L281 PolarHBondContact O-N 3.28Å; F278-L281 VanDerWaalsContact O-N 3.16Å; F278-I282 HydrophobicContact CD1-CD1 3.78Å; F278-I282 HydrophobicContact CE1-CD1 3.55Å; F278-I282 HydrophobicContact CE1-CG1 4.36Å; F278-I282 HydrophobicContact CZ-CD1 4.38Å; F278-I282 PolarHBondContact O-N 3.2Å; F278-I282 VanDerWaalsContact O-N 3.08Å; F278-L287 HydrophobicContact CD2-CD1 4.24Å; F278-L287 HydrophobicContact CE2-CD1 3.69Å; F278-L287 HydrophobicContact CE2-CD2 3.91Å; F278-L287 HydrophobicContact CE2-CG 4.48Å; F278-L287 HydrophobicContact CZ-CD1 4.4Å; F278-L287 HydrophobicContact CZ-CD2 3.77Å; F278-Y302 HydrophobicContact CE1-CD1 4.47Å; F278-Y302 HydrophobicContact CZ-CD1 4.41Å; F278-Y302 HydrophobicContact CZ-CE1 4.15Å; F278-F306 AromaticContact CD1-CE2 3.83Å; F278-F306 HydrophobicContact CD1-CE2 3.83Å; F278-F306 HydrophobicContact CD1-CZ 4.09Å; F278-Y478 HydrophobicContact CB-CD2 4.49Å; F278-Y478 AromaticContact CD1-CD2 3.69Å; F278-Y478 HydrophobicContact CD1-CD2 3.69Å; F278-Y478 HydrophobicContact CD1-CG 4.36Å; F278-Y478 HydrophobicContact CE1-CD2 4.19Å; F278-Y478 HydrophobicContact CE1-CG 4.43Å; F278-Y478 HydrophobicContact CG-CD2 4.26Å; F278-F481 HydrophobicContact CB-CD1 3.73Å; F278-F481 HydrophobicContact CB-CE1 3.81Å; F278-F481 HydrophobicContact CD2-CB 3.75Å; F278-F481 AromaticContact CD2-CD1 3.41Å; F278-F481 HydrophobicContact CD2-CD1 3.41Å; F278-F481 VanDerWaalsContact CD2-CD1 3.41Å; F278-F481 AromaticContact CD2-CD2 3.78Å; F278-F481 HydrophobicContact CD2-CD2 3.78Å; F278-F481 AromaticContact CD2-CE1 3.9Å; F278-F481 HydrophobicContact CD2-CE1 3.9Å; F278-F481 HydrophobicContact CD2-CE2 4.22Å; F278-F481 AromaticContact CD2-CG 3.35Å; F278-F481 HydrophobicContact CD2-CG 3.35Å; F278-F481 HydrophobicContact CD2-CZ 4.28Å; F278-F481 HydrophobicContact CE2-CB 3.85Å; F278-F481 HydrophobicContact CE2-CD1 4.35Å; F278-F481 HydrophobicContact CE2-CD2 4.14Å; F278-F481 AromaticContact CE2-CG 3.87Å; F278-F481 HydrophobicContact CE2-CG 3.87Å; F278-F481 AromaticContact CG-CD1 3.93Å; F278-F481 HydrophobicContact CG-CD1 3.93Å; F278-F481 HydrophobicContact CG-CE1 4.34Å; F278-F481 HydrophobicContact CG-CG 4.28Å |
| 279 | R | 96.9 | Very high | 95.7 | Very high | 10 Ų | 10 | 32.8 Ų | 32.8 | 4% | 0.038 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.2 | -46.1 | 172.6 | -178.9 | -179.5 | 161.9 | -164.3 | -6.6 | 112.1 | S275 I277 L281 I282 E283 F306 N307 S325 | S275-R279 WeakPolarHBondContact O-CB 3.41Å; S275-R279 PolarHBondContact O-N 2.78Å; I277-R279 VanDerWaalsContact C-N 3.35Å; I277-R279 PolarHBondContact O-N 3.29Å; R279-L281 VanDerWaalsContact C-N 3.33Å; R279-L281 PolarHBondContact O-N 3.01Å; R279-I282 PolarHBondContact O-N 3.42Å; R279-E283 HydrophobicContact CG-CG 4.4Å; R279-E283 IonicContact CZ-OE1 3.81Å; R279-E283 VanDerWaalsContact CZ-OE1 3.24Å; R279-E283 IonicContact NE-OE1 3.26Å; R279-E283 PolarHBondContact NE-OE1 2.95Å; R279-E283 IonicContact NH2-OE1 2.93Å; R279-E283 PolarHBondContact NH2-OE1 3.17Å; R279-E283 WeakPolarHBondContact O-CG 3.36Å; R279-E283 PolarHBondContact O-N 3.5Å; R279-F306 HydrophobicContact CB-CD1 3.96Å; R279-F306 HydrophobicContact CB-CD2 3.69Å; R279-F306 HydrophobicContact CB-CE1 3.92Å; R279-F306 HydrophobicContact CB-CE2 3.7Å; R279-F306 HydrophobicContact CB-CG 3.83Å; R279-F306 HydrophobicContact CB-CZ 3.81Å; R279-F306 HydrophobicContact CG-CB 3.98Å; R279-F306 HydrophobicContact CG-CD1 4.13Å; R279-F306 HydrophobicContact CG-CD2 3.79Å; R279-F306 HydrophobicContact CG-CE2 4.33Å; R279-F306 HydrophobicContact CG-CG 3.69Å; R279-N307 PolarHBondContact NE-OD1 3.23Å; R279-N307 PolarHBondContact NH1-OD1 2.89Å; R279-N307 PolarHBondContact NH2-ND2 3.35Å; R279-N307 PolarHBondContact NH2-OD1 3.1Å; R279-S325 VanDerWaalsContact CZ-O 3.31Å; R279-S325 PolarHBondContact NH1-O 3.24Å; R279-S325 PolarHBondContact NH2-O 3.29Å |
| 280 | R | 94.4 | Very high | 95.5 | Very high | 72 Ų | 72 | 34.3 Ų | 34.3 | 27% | 0.272 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62 | -40.6 | 178.1 | -179.3 | -178.1 | -64.9 | 172.3 | 2.6 | 111.8 | L276 I277 F278 I282 E283 R284 | L276-R280 WeakPolarHBondContact O-CB 3.46Å; L276-R280 PolarHBondContact O-N 3.14Å; I277-R280 WeakPolarHBondContact O-CB 3.39Å; I277-R280 PolarHBondContact O-N 3.32Å; I277-R280 VanDerWaalsContact O-N 3.12Å; F278-R280 VanDerWaalsContact C-N 3.32Å; F278-R280 PolarHBondContact O-N 3.07Å; R280-I282 VanDerWaalsContact C-N 3.28Å; R280-I282 PolarHBondContact O-N 3.15Å; R280-E283 PolarHBondContact O-N 2.69Å; R280-R284 HydrophobicContact CG-CG 4.31Å; R280-R284 WeakPolarHBondContact O-CB 3.14Å; R280-R284 WeakPolarHBondContact O-CG 3.46Å; R280-R284 PolarHBondContact O-N 2.72Å |
| 281 | L | 95.8 | Very high | 95.2 | Very high | 38 Ų | 38 | 37.2 Ų | 37.2 | 20% | 0.199 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.1 | -38.3 | 176.1 | -68.5 | 172.3 | 0 | 0 | 0 | 111.4 | I277 F278 R279 Q285 E286 L287 F481 | I277-L281 HydrophobicContact CG2-CD1 4.4Å; I277-L281 WeakPolarHBondContact O-CG 3.38Å; I277-L281 PolarHBondContact O-N 2.9Å; F278-L281 WeakPolarHBondContact O-CB 3.27Å; F278-L281 PolarHBondContact O-N 3.28Å; F278-L281 VanDerWaalsContact O-N 3.16Å; R279-L281 VanDerWaalsContact C-N 3.33Å; R279-L281 PolarHBondContact O-N 3.01Å; L281-Q285 CarbonylContact O-C 3.54Å; L281-Q285 WeakPolarHBondContact O-CA 3.4Å; L281-Q285 PolarHBondContact O-N 2.81Å; L281-Q285 VanDerWaalsContact O-N 3.09Å; L281-E286 HydrophobicContact CD2-CB 3.8Å; L281-E286 PolarHBondContact O-N 2.69Å; L281-L287 HydrophobicContact CB-CB 3.99Å; L281-L287 HydrophobicContact CD1-CD1 4.44Å; L281-L287 PolarHBondContact O-N 3.47Å; L281-L287 VanDerWaalsContact O-N 3.1Å; L281-F481 HydrophobicContact CD1-CE2 3.85Å; L281-F481 HydrophobicContact CD1-CZ 3.63Å |
| 282 | I | 95.5 | Very high | 94.7 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 9% | 0.087 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.1 | -54 | 173.9 | -65.6 | 166.7 | 0 | 0 | 0 | 110.9 | L160 F278 R279 R280 R284 Q285 L287 Y302 A305 F306 | L160-I282 HydrophobicContact CD2-CB 4.44Å; L160-I282 HydrophobicContact CD2-CG1 4.39Å; L160-I282 HydrophobicContact CD2-CG2 4.2Å; F278-I282 HydrophobicContact CD1-CD1 3.78Å; F278-I282 HydrophobicContact CE1-CD1 3.55Å; F278-I282 HydrophobicContact CE1-CG1 4.36Å; F278-I282 HydrophobicContact CZ-CD1 4.38Å; F278-I282 PolarHBondContact O-N 3.2Å; F278-I282 VanDerWaalsContact O-N 3.08Å; R279-I282 PolarHBondContact O-N 3.42Å; R280-I282 VanDerWaalsContact C-N 3.28Å; R280-I282 PolarHBondContact O-N 3.15Å; I282-R284 PolarHBondContact O-N 2.91Å; I282-Q285 WeakPolarHBondContact O-CA 3.1Å; I282-Q285 PolarHBondContact O-N 3.27Å; I282-L287 HydrophobicContact CG1-CD2 3.98Å; I282-Y302 HydrophobicContact CD1-CD1 4.13Å; I282-A305 HydrophobicContact CD1-CB 4.4Å; I282-F306 HydrophobicContact CD1-CD2 4.26Å; I282-F306 HydrophobicContact CD1-CE2 4Å |
| 283 | E | 92.6 | Very high | 94 | Very high | 72 Ų | 72 | 43 Ų | 43 | 34% | 0.336 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59 | -33.9 | -176.9 | -73.1 | 179.9 | 175.2 | 0 | 0 | 112.4 | R279 R280 | R279-E283 HydrophobicContact CG-CG 4.4Å; R279-E283 IonicContact CZ-OE1 3.81Å; R279-E283 VanDerWaalsContact CZ-OE1 3.24Å; R279-E283 IonicContact NE-OE1 3.26Å; R279-E283 PolarHBondContact NE-OE1 2.95Å; R279-E283 IonicContact NH2-OE1 2.93Å; R279-E283 PolarHBondContact NH2-OE1 3.17Å; R279-E283 WeakPolarHBondContact O-CG 3.36Å; R279-E283 PolarHBondContact O-N 3.5Å; R280-E283 PolarHBondContact O-N 2.69Å |
| 284 | R | 92.6 | Very high | 93.5 | Very high | 119 Ų | 119 | 41.5 Ų | 41.5 | 45% | 0.449 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -4.4 | 176.3 | -64.3 | -176.4 | 176.3 | -173.4 | -3.8 | 113.8 | N48 R280 I282 E286 | N48-R284 PolarHBondContact ND2-O 3.41Å; R280-R284 HydrophobicContact CG-CG 4.31Å; R280-R284 WeakPolarHBondContact O-CB 3.14Å; R280-R284 WeakPolarHBondContact O-CG 3.46Å; R280-R284 PolarHBondContact O-N 2.72Å; I282-R284 PolarHBondContact O-N 2.91Å; R284-E286 HydrophobicContact CB-CB 4.39Å; R284-E286 HydrophobicContact CB-CG 3.78Å; R284-E286 WeakPolarHBondContact CD-OE1 3.38Å; R284-E286 WeakPolarHBondContact CD-OE2 3.36Å; R284-E286 PolarHBondContact O-N 2.94Å |
| 285 | Q | 94.8 | Very high | 93.2 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 30.1 | -172.9 | -54 | 174.2 | 34.3 | 0 | 0 | 113.2 | N49 S52 M159 L160 L281 I282 | N49-Q285 PolarHBondContact OD1-NE2 2.88Å; S52-Q285 PolarHBondContact OG-OE1 3.43Å; S52-Q285 VanDerWaalsContact OG-OE1 3.05Å; M159-Q285 VanDerWaalsContact CA-O 3.31Å; M159-Q285 WeakPolarHBondContact CA-O 3.33Å; M159-Q285 HydrophobicContact CB-CB 4.01Å; M159-Q285 WeakPolarHBondContact CB-O 3.19Å; M159-Q285 HydrophobicContact CE-CB 3.73Å; L160-Q285 HydrophobicContact CB-CB 3.92Å; L160-Q285 HydrophobicContact CB-CG 4.47Å; L160-Q285 PolarHBondContact N-O 3.4Å; L281-Q285 CarbonylContact O-C 3.54Å; L281-Q285 WeakPolarHBondContact O-CA 3.4Å; L281-Q285 PolarHBondContact O-N 2.81Å; L281-Q285 VanDerWaalsContact O-N 3.09Å; I282-Q285 WeakPolarHBondContact O-CA 3.1Å; I282-Q285 PolarHBondContact O-N 3.27Å |
| 286 | E | 94.2 | Very high | 93 | Very high | 108 Ų | 108 | 41.6 Ų | 41.6 | 51% | 0.505 | 21% | 0.21 | S | C | . | . | trans | -89.4 | -13.1 | 177.2 | -70.5 | 167.6 | -179.1 | 0 | 0 | 111.8 | L281 R284 K288 | L281-E286 HydrophobicContact CD2-CB 3.8Å; L281-E286 PolarHBondContact O-N 2.69Å; R284-E286 HydrophobicContact CB-CB 4.39Å; R284-E286 HydrophobicContact CB-CG 3.78Å; R284-E286 WeakPolarHBondContact CD-OE1 3.38Å; R284-E286 WeakPolarHBondContact CD-OE2 3.36Å; R284-E286 PolarHBondContact O-N 2.94Å; E286-K288 PolarHBondContact O-N 3.27Å | ||
| 287 | L | 94.5 | Very high | 92.9 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -63.9 | 125.1 | 169.9 | -174 | 66.8 | 0 | 0 | 0 | 109.4 | L160 F278 L281 I282 Y302 | L160-L287 WeakPolarHBondContact CA-O 3.42Å; L160-L287 WeakPolarHBondContact CB-O 2.82Å; L160-L287 HydrophobicContact CD1-CB 4.14Å; L160-L287 HydrophobicContact CD1-CD2 4.14Å; L160-L287 HydrophobicContact CD1-CG 4.26Å; L160-L287 HydrophobicContact CD2-CB 4.25Å; L160-L287 HydrophobicContact CD2-CD2 4.47Å; F278-L287 HydrophobicContact CD2-CD1 4.24Å; F278-L287 HydrophobicContact CE2-CD1 3.69Å; F278-L287 HydrophobicContact CE2-CD2 3.91Å; F278-L287 HydrophobicContact CE2-CG 4.48Å; F278-L287 HydrophobicContact CZ-CD1 4.4Å; F278-L287 HydrophobicContact CZ-CD2 3.77Å; L281-L287 HydrophobicContact CB-CB 3.99Å; L281-L287 HydrophobicContact CD1-CD1 4.44Å; L281-L287 PolarHBondContact O-N 3.47Å; L281-L287 VanDerWaalsContact O-N 3.1Å; I282-L287 HydrophobicContact CG1-CD2 3.98Å; L287-Y302 HydrophobicContact CD2-CD1 4.11Å; L287-Y302 HydrophobicContact CD2-CE1 4.12Å |
| 288 | K | 91.8 | Very high | 92.9 | Very high | 141 Ų | 141 | 40.6 Ų | 40.6 | 61% | 0.613 | 21% | 0.205 | S | C | * | . | P | Polyproline II helix | trans | -63.7 | 130.9 | 179.2 | -68.5 | -177.3 | 178.6 | 179 | 0 | 109.9 | E286 | E286-K288 PolarHBondContact O-N 3.27Š|
| 289 | P | 92.5 | Very high | 92.9 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -65 | 140 | 175.4 | 26.7 | -32.6 | 0 | 0 | 0 | 110.3 | P158 F163 M291 | P158-P289 HydrophobicContact CB-CG 4.14Å; P158-P289 HydrophobicContact CG-CG 3.69Å; F163-P289 HydrophobicContact CD2-CB 4.39Å; F163-P289 HydrophobicContact CD2-CG 4.22Å; F163-P289 HydrophobicContact CE2-CG 3.92Å; P289-M291 HydrophobicContact CB-SD 4.46Å; P289-M291 HydrophobicContact CG-SD 4.35Å |
| 290 | I | 93.3 | Very high | 92.8 | Very high | 33 Ų | 33 | 41.6 Ų | 41.6 | 17% | 0.169 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 132.9 | 175.2 | -59.9 | 178.9 | 0 | 0 | 0 | 108.8 | L297 Y302 Q701 | I290-L297 HydrophobicContact CB-CD1 4.31Å; I290-L297 HydrophobicContact CG2-CD1 3.78Å; I290-L297 HydrophobicContact CG2-CG 4.5Å; I290-L297 WeakPolarHBondContact O-CB 3.41Å; I290-L297 PolarHBondContact O-N 3.35Å; I290-Y302 VanDerWaalsContact CD1-OH 3.32Å; I290-Y302 WeakPolarHBondContact CD1-OH 3.23Å; I290-Q701 HydrophobicContact CD1-CB 4.31Å |
| 291 | M | 90.4 | Very high | 92.9 | Very high | 63 Ų | 63 | 38.4 Ų | 38.4 | 31% | 0.31 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 140.9 | -178.6 | -48 | -69.6 | -70.7 | 0 | 0 | 110.1 | L154 F163 P289 C294 V295 P296 | L154-M291 HydrophobicContact CD1-CE 4.28Å; F163-M291 HydrophobicContact CE2-CE 4.17Å; F163-M291 HydrophobicContact CE2-SD 3.97Å; F163-M291 HydrophobicContact CZ-CE 4.14Å; P289-M291 HydrophobicContact CB-SD 4.46Å; P289-M291 HydrophobicContact CG-SD 4.35Å; M291-C294 WeakPolarHBondContact CE-O 3.43Å; M291-V295 CarbonylContact C-O 3.42Å; M291-V295 VanDerWaalsContact CA-O 3.26Å; M291-V295 WeakPolarHBondContact CA-O 3.34Å; M291-P296 HydrophobicContact CE-CB 3.76Å; M291-P296 HydrophobicContact CE-CG 4.23Å; M291-P296 WeakPolarHBondContact SD-CA 3.43Å; M291-P296 HydrophobicContact SD-CB 3.52Å; M291-P296 VanDerWaalsContact SD-CB 3.52Å |
| 292 | I | 87.6 | Confident | 92.9 | Very high | 52 Ų | 52 | 36.7 Ų | 36.7 | 27% | 0.267 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 105.5 | 163.1 | -58.6 | 177.9 | 0 | 0 | 0 | 107.2 | W131 C294 V295 L297 M601 L604 M656 | W131-I292 HydrophobicContact CH2-CG2 4.1Å; W131-I292 HydrophobicContact CZ3-CG2 4.46Å; I292-C294 PolarHBondContact O-N 2.83Å; I292-V295 PolarHBondContact N-O 3.32Å; I292-V295 PolarHBondContact O-N 3.01Å; I292-L297 HydrophobicContact CD1-CD2 3.96Å; I292-L297 HydrophobicContact CG1-CD1 4.38Å; I292-L297 HydrophobicContact CG1-CD2 4.16Å; I292-L297 HydrophobicContact CG1-CG 4.4Å; I292-M601 HydrophobicContact CD1-CE 3.82Å; I292-L604 HydrophobicContact CD1-CD2 4.41Å; I292-M656 HydrophobicContact CD1-SD 4.36Å |
| 293 | G | 83.6 | Confident | 92.9 | Very high | 70 Ų | 70 | 41.8 Ų | 41.8 | 72% | 0.722 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | -110.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 294 | C | 85.4 | Confident | 93 | Very high | 14 Ų | 14 | 41 Ų | 41 | 10% | 0.095 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 13.5 | 174.4 | 66.4 | 0 | 0 | 0 | 0 | 114 | M147 K151 L154 M291 I292 | M147-C294 HydrophobicContact CE-CB 4.48Å; M147-C294 WeakPolarHBondContact CE-SG 3.49Å; K151-C294 HydrophobicContact CG-CB 3.78Å; L154-C294 WeakPolarHBondContact CD1-O 3.35Å; M291-C294 WeakPolarHBondContact CE-O 3.43Å; I292-C294 PolarHBondContact O-N 2.83Å |
| 295 | V | 91.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.2 | 179.6 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L126 W131 L150 M291 I292 L604 | L126-V295 HydrophobicContact CD2-CG1 4.16Å; L126-V295 HydrophobicContact CD2-CG2 4.35Å; W131-V295 HydrophobicContact CH2-CB 4.18Å; W131-V295 HydrophobicContact CH2-CG2 4.02Å; W131-V295 HydrophobicContact CZ2-CB 3.83Å; W131-V295 HydrophobicContact CZ2-CG1 4.11Å; W131-V295 HydrophobicContact CZ2-CG2 3.43Å; W131-V295 VanDerWaalsContact CZ2-CG2 3.43Å; L150-V295 HydrophobicContact CD2-CG2 3.72Å; M291-V295 CarbonylContact C-O 3.42Å; M291-V295 VanDerWaalsContact CA-O 3.26Å; M291-V295 WeakPolarHBondContact CA-O 3.34Å; I292-V295 PolarHBondContact N-O 3.32Å; I292-V295 PolarHBondContact O-N 3.01Å; V295-L604 HydrophobicContact CG1-CD2 3.81Å |
| 296 | P | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 147 | -178.2 | 29.7 | -34.4 | 0 | 0 | 0 | 113.1 | L126 F163 L167 M291 | L126-P296 HydrophobicContact CD1-CG 4.03Å; L126-P296 HydrophobicContact CD2-CG 4.49Å; F163-P296 HydrophobicContact CB-CB 3.88Å; F163-P296 HydrophobicContact CB-CG 3.83Å; F163-P296 HydrophobicContact CD1-CB 4.14Å; F163-P296 HydrophobicContact CD1-CG 3.7Å; F163-P296 HydrophobicContact CD2-CB 3.41Å; F163-P296 VanDerWaalsContact CD2-CB 3.41Å; F163-P296 HydrophobicContact CD2-CG 3.95Å; F163-P296 HydrophobicContact CE1-CG 4.17Å; F163-P296 HydrophobicContact CE2-CB 3.89Å; F163-P296 HydrophobicContact CE2-CG 4.4Å; F163-P296 HydrophobicContact CG-CB 3.55Å; F163-P296 HydrophobicContact CG-CG 3.56Å; F163-P296 HydrophobicContact CZ-CB 4.43Å; L167-P296 HydrophobicContact CD2-CG 4.16Å; M291-P296 HydrophobicContact CE-CB 3.76Å; M291-P296 HydrophobicContact CE-CG 4.23Å; M291-P296 WeakPolarHBondContact SD-CA 3.43Å; M291-P296 HydrophobicContact SD-CB 3.52Å; M291-P296 VanDerWaalsContact SD-CB 3.52Å |
| 297 | L | 95.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -95 | 146.9 | 166.3 | -60 | -176.2 | 0 | 0 | 0 | 110.9 | I290 I292 M601 R603 L604 | I290-L297 HydrophobicContact CB-CD1 4.31Å; I290-L297 HydrophobicContact CG2-CD1 3.78Å; I290-L297 HydrophobicContact CG2-CG 4.5Å; I290-L297 WeakPolarHBondContact O-CB 3.41Å; I290-L297 PolarHBondContact O-N 3.35Å; I292-L297 HydrophobicContact CD1-CD2 3.96Å; I292-L297 HydrophobicContact CG1-CD1 4.38Å; I292-L297 HydrophobicContact CG1-CD2 4.16Å; I292-L297 HydrophobicContact CG1-CG 4.4Å; L297-M601 HydrophobicContact CD1-CE 3.78Å; L297-M601 HydrophobicContact CD1-SD 3.82Å; L297-M601 HydrophobicContact CD2-CE 4.28Å; L297-M601 HydrophobicContact CD2-SD 4.49Å; L297-R603 CarbonylContact C-O 3.49Å; L297-R603 WeakPolarHBondContact CA-O 3.49Å; L297-R603 HydrophobicContact CB-CB 4.08Å; L297-R603 HydrophobicContact CD2-CB 4.2Å; L297-L604 HydrophobicContact CD2-CD2 3.87Å; L297-L604 HydrophobicContact CD2-CG 4.42Å |
| 298 | C | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -56.2 | 135.3 | 172.7 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | Q164 L167 R603 Y605 E607 | Q164-C298 PolarHBondContact OE1-SG 3.31Å; L167-C298 HydrophobicContact CD1-CB 3.83Å; C298-R603 HydrophobicContact CB-CB 4.21Å; C298-R603 HydrophobicContact CB-CG 4.49Å; C298-R603 WeakPolarHBondContact CB-O 3.17Å; C298-R603 PolarHBondContact N-O 3.45Å; C298-R603 VanDerWaalsContact O-CZ 3.23Å; C298-R603 PolarHBondContact O-NE 3.08Å; C298-R603 PolarHBondContact O-NH2 2.96Å; C298-Y605 WeakPolarHBondContact CB-O 3.21Å; C298-E607 PolarHBondContact SG-N 3.47Å |
| 299 | S | 96.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | trans | -112.6 | 1.6 | -176.2 | -55.8 | 0 | 0 | 0 | 0 | 112.5 | L160 Q301 Y302 | L160-S299 WeakPolarHBondContact O-CB 3.26Å; L160-S299 PolarHBondContact O-OG 3.39Å; S299-Q301 PolarHBondContact O-N 3.37Å; S299-Q301 VanDerWaalsContact O-N 3.12Å; S299-Y302 WeakPolarHBondContact O-CB 3.37Å; S299-Y302 WeakPolarHBondContact O-CD2 3.23Å; S299-Y302 PolarHBondContact O-N 3.48Å | ||
| 300 | A | 95.3 | Very high | 94.4 | Very high | 30 Ų | 30 | 22.4 Ų | 22.4 | 25% | 0.248 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -54.8 | -35.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y302 E303 E607 | A300-Y302 VanDerWaalsContact C-N 3.26Å; A300-Y302 PolarHBondContact O-N 3.05Å; A300-E303 WeakPolarHBondContact O-CB 2.95Å; A300-E303 PolarHBondContact O-N 2.81Å; A300-E607 HydrophobicContact CB-CG 4.11Å |
| 301 | Q | 96.6 | Very high | 94.6 | Very high | 5 Ų | 5 | 22 Ų | 22 | 2% | 0.023 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -63.6 | -27 | -178.9 | -59.7 | -176.1 | 28.8 | 0 | 0 | 113.5 | S299 E303 R304 A470 D471 I474 G608 R609 | S299-Q301 PolarHBondContact O-N 3.37Å; S299-Q301 VanDerWaalsContact O-N 3.12Å; Q301-E303 PolarHBondContact O-N 3.2Å; Q301-R304 PolarHBondContact O-N 2.95Å; Q301-A470 HydrophobicContact CB-CB 3.96Å; Q301-A470 VanDerWaalsContact OE1-CA 3.25Å; Q301-D471 PolarHBondContact NE2-OD2 3.36Å; Q301-I474 HydrophobicContact CB-CD1 4.09Å; Q301-I474 HydrophobicContact CB-CG1 3.8Å; Q301-I474 HydrophobicContact CB-CG2 4.46Å; Q301-I474 VanDerWaalsContact OE1-CG1 3.23Å; Q301-G608 PolarHBondContact NE2-O 3.07Å; Q301-R609 VanDerWaalsContact OE1-NH1 3.13Å |
| 302 | Y | 97.1 | Very high | 95 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -64.1 | -26.9 | 179.2 | -73.2 | -74.6 | 0 | 0 | 0 | 113.1 | L160 F278 I282 L287 I290 S299 A300 R304 A305 I474 H477 | L160-Y302 HydrophobicContact CD1-CD2 4.2Å; F278-Y302 HydrophobicContact CE1-CD1 4.47Å; F278-Y302 HydrophobicContact CZ-CD1 4.41Å; F278-Y302 HydrophobicContact CZ-CE1 4.15Å; I282-Y302 HydrophobicContact CD1-CD1 4.13Å; L287-Y302 HydrophobicContact CD2-CD1 4.11Å; L287-Y302 HydrophobicContact CD2-CE1 4.12Å; I290-Y302 VanDerWaalsContact CD1-OH 3.32Å; I290-Y302 WeakPolarHBondContact CD1-OH 3.23Å; S299-Y302 WeakPolarHBondContact O-CB 3.37Å; S299-Y302 WeakPolarHBondContact O-CD2 3.23Å; S299-Y302 PolarHBondContact O-N 3.48Å; A300-Y302 VanDerWaalsContact C-N 3.26Å; A300-Y302 PolarHBondContact O-N 3.05Å; Y302-R304 PolarHBondContact O-N 3.18Å; Y302-A305 WeakPolarHBondContact O-CB 3.46Å; Y302-A305 PolarHBondContact O-N 3.17Å; Y302-I474 HydrophobicContact CD1-CG2 3.73Å; Y302-I474 HydrophobicContact CD2-CD1 4.29Å; Y302-I474 HydrophobicContact CE1-CD1 4.26Å; Y302-I474 HydrophobicContact CE1-CG2 3.74Å; Y302-I474 HydrophobicContact CE2-CD1 3.77Å; Y302-I474 HydrophobicContact CG-CG2 4.25Å; Y302-H477 AromaticContact CE1-ND1 3.69Å; Y302-H477 AromaticContact CZ-ND1 3.61Å; Y302-H477 PolarHBondContact OH-ND1 2.69Å |
| 303 | E | 94 | Very high | 95.5 | Very high | 124 Ų | 124 | 17.8 Ų | 17.8 | 58% | 0.579 | 11% | 0.113 | S | C | * | . | G | 310 helix | trans | -55.6 | -36.7 | -179.8 | -177.6 | 172.5 | -178.4 | 0 | 0 | 111.8 | A300 Q301 H321 | A300-E303 WeakPolarHBondContact O-CB 2.95Å; A300-E303 PolarHBondContact O-N 2.81Å; Q301-E303 PolarHBondContact O-N 3.2Å; E303-H321 PolarHBondContact O-CE1 3.12Å |
| 304 | R | 96 | Very high | 96.2 | Very high | 55 Ų | 55 | 17.4 Ų | 17.4 | 21% | 0.208 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -96.8 | 6 | -174.7 | -61 | -176.8 | -62.8 | -176.6 | 4.5 | 114 | E233 Q301 Y302 F306 T308 W469 | E233-R304 IonicContact OE1-CZ 3.76Å; E233-R304 IonicContact OE1-NH1 3.18Å; E233-R304 PolarHBondContact OE1-NH1 3.11Å; E233-R304 IonicContact OE2-CZ 2.66Å; E233-R304 IonicContact OE2-NH1 3.49Å; E233-R304 PolarHBondContact OE2-NH1 3.46Å; E233-R304 IonicContact OE2-NH2 2.6Å; E233-R304 PolarHBondContact OE2-NH2 3.37Å; Q301-R304 PolarHBondContact O-N 2.95Å; Y302-R304 PolarHBondContact O-N 3.18Å; R304-F306 VanDerWaalsContact C-N 3.29Å; R304-F306 PolarHBondContact O-N 3.5Å; R304-T308 WeakPolarHBondContact CA-OG1 3.24Å; R304-T308 HydrophobicContact CB-CG2 4.31Å; R304-T308 WeakPolarHBondContact O-CB 3.39Å; R304-T308 PolarHBondContact O-OG1 3.35Å; R304-W469 HydrophobicContact CB-CB 3.98Å; R304-W469 HydrophobicContact CB-CD2 4.5Å; R304-W469 HydrophobicContact CB-CE3 4.06Å; R304-W469 HydrophobicContact CB-CG 4.49Å; R304-W469 PolarHBondContact NH2-O 3.43Å |
| 305 | A | 97.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 2% | 0.017 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -64.5 | -32.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I282 Y302 F451 W469 | I282-A305 HydrophobicContact CD1-CB 4.4Å; Y302-A305 WeakPolarHBondContact O-CB 3.46Å; Y302-A305 PolarHBondContact O-N 3.17Å; A305-F451 WeakPolarHBondContact O-CD1 3.46Å; A305-F451 VanDerWaalsContact O-CE1 3.29Å; A305-F451 WeakPolarHBondContact O-CE1 3.39Å; A305-W469 HydrophobicContact CB-CE3 4.44Å; A305-W469 HydrophobicContact CB-CH2 3.72Å; A305-W469 HydrophobicContact CB-CZ3 3.56Å |
| 306 | F | 98.2 | Very high | 96.9 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -119.8 | 163.8 | 176.2 | -63.1 | -92.7 | 0 | 0 | 0 | 109.9 | S275 F278 R279 I282 R304 T308 H321 A409 F410 F451 Y478 | S275-F306 VanDerWaalsContact O-CZ 3.29Å; S275-F306 WeakPolarHBondContact O-CZ 3.41Å; F278-F306 AromaticContact CD1-CE2 3.83Å; F278-F306 HydrophobicContact CD1-CE2 3.83Å; F278-F306 HydrophobicContact CD1-CZ 4.09Å; R279-F306 HydrophobicContact CB-CD1 3.96Å; R279-F306 HydrophobicContact CB-CD2 3.69Å; R279-F306 HydrophobicContact CB-CE1 3.92Å; R279-F306 HydrophobicContact CB-CE2 3.7Å; R279-F306 HydrophobicContact CB-CG 3.83Å; R279-F306 HydrophobicContact CB-CZ 3.81Å; R279-F306 HydrophobicContact CG-CB 3.98Å; R279-F306 HydrophobicContact CG-CD1 4.13Å; R279-F306 HydrophobicContact CG-CD2 3.79Å; R279-F306 HydrophobicContact CG-CE2 4.33Å; R279-F306 HydrophobicContact CG-CG 3.69Å; I282-F306 HydrophobicContact CD1-CD2 4.26Å; I282-F306 HydrophobicContact CD1-CE2 4Å; R304-F306 VanDerWaalsContact C-N 3.29Å; R304-F306 PolarHBondContact O-N 3.5Å; F306-T308 PolarHBondContact O-N 2.85Å; F306-T308 VanDerWaalsContact O-N 3.14Å; F306-T308 PolarHBondContact O-OG1 3.24Å; F306-T308 VanDerWaalsContact O-OG1 3.1Å; F306-H321 PolarHBondContact O-CE1 2.99Å; F306-H321 PolarHBondContact O-ND1 3.04Å; F306-A409 WeakPolarHBondContact CA-O 3.22Å; F306-F410 AromaticContact CD1-CD1 3.91Å; F306-F410 HydrophobicContact CD1-CD1 3.91Å; F306-F410 AromaticContact CE1-CD1 3.93Å; F306-F410 HydrophobicContact CE1-CD1 3.93Å; F306-F410 HydrophobicContact CE1-CE1 4.37Å; F306-F451 AromaticContact CD1-CE1 3.91Å; F306-F451 HydrophobicContact CD1-CE1 3.91Å; F306-F451 AromaticContact CD1-CZ 3.98Å; F306-F451 HydrophobicContact CD1-CZ 3.98Å; F306-F451 AromaticContact CE1-CE1 3.81Å; F306-F451 HydrophobicContact CE1-CE1 3.81Å; F306-F451 AromaticContact CE1-CZ 3.57Å; F306-F451 HydrophobicContact CE1-CZ 3.57Å; F306-F451 HydrophobicContact CZ-CE1 4.29Å; F306-F451 HydrophobicContact CZ-CZ 4.23Å; F306-Y478 HydrophobicContact CE1-CE2 4.16Å; F306-Y478 HydrophobicContact CE2-CD2 4.45Å; F306-Y478 AromaticContact CZ-CD2 3.77Å; F306-Y478 HydrophobicContact CZ-CD2 3.77Å; F306-Y478 AromaticContact CZ-CE2 3.69Å; F306-Y478 HydrophobicContact CZ-CE2 3.69Å |
| 307 | N | 97.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 57.5 | 30.5 | 174.7 | -40.7 | -21.6 | 0 | 0 | 0 | 111.5 | R279 H321 W322 S325 A409 | R279-N307 PolarHBondContact NE-OD1 3.23Å; R279-N307 PolarHBondContact NH1-OD1 2.89Å; R279-N307 PolarHBondContact NH2-ND2 3.35Å; R279-N307 PolarHBondContact NH2-OD1 3.1Å; N307-H321 CarbonylContact O-C 3.48Å; N307-H321 WeakPolarHBondContact O-CA 3.22Å; N307-H321 PolarHBondContact O-ND1 3.35Å; N307-W322 HydrophobicContact CB-CB 4.3Å; N307-W322 WeakPolarHBondContact CB-O 3.4Å; N307-W322 PolarHBondContact ND2-O 3.32Å; N307-W322 VanDerWaalsContact ND2-O 3.08Å; N307-W322 VanDerWaalsContact O-CE3 3.31Å; N307-W322 PolarHBondContact O-N 3.18Å; N307-S325 VanDerWaalsContact CB-OG 3.3Å; N307-S325 WeakPolarHBondContact CB-OG 3.42Å; N307-S325 VanDerWaalsContact CG-OG 3.3Å; N307-S325 VanDerWaalsContact OD1-CB 3.3Å; N307-S325 WeakPolarHBondContact OD1-CB 3.08Å; N307-S325 PolarHBondContact OD1-OG 2.96Å; N307-A409 PolarHBondContact N-O 3.42Å; N307-A409 WeakPolarHBondContact OD1-CA 3.49Å |
| 308 | T | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.9 | -177.4 | -54.9 | 0 | 0 | 0 | 0 | 109.8 | R304 F306 L319 K320 H321 K449 S450 W469 | R304-T308 WeakPolarHBondContact CA-OG1 3.24Å; R304-T308 HydrophobicContact CB-CG2 4.31Å; R304-T308 WeakPolarHBondContact O-CB 3.39Å; R304-T308 PolarHBondContact O-OG1 3.35Å; F306-T308 PolarHBondContact O-N 2.85Å; F306-T308 VanDerWaalsContact O-N 3.14Å; F306-T308 PolarHBondContact O-OG1 3.24Å; F306-T308 VanDerWaalsContact O-OG1 3.1Å; T308-L319 HydrophobicContact CG2-CD2 3.8Å; T308-K320 VanDerWaalsContact CA-O 3.31Å; T308-K320 WeakPolarHBondContact CA-O 3.5Å; T308-H321 PolarHBondContact OG1-ND1 3.19Å; T308-K449 WeakPolarHBondContact O-CE 3.35Å; T308-K449 PolarHBondContact O-NZ 3.02Å; T308-S450 WeakPolarHBondContact O-CB 3.4Å; T308-S450 PolarHBondContact O-N 3.45Å; T308-S450 PolarHBondContact O-OG 3.39Å; T308-W469 HydrophobicContact CG2-CB 4.45Å |
| 309 | C | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 138.8 | 174.7 | -159.9 | 0 | 0 | 0 | 0 | 109.1 | I311 K320 W322 E406 D448 | C309-I311 HydrophobicContact CB-CD1 4.12Å; C309-K320 PolarHBondContact N-O 3.01Å; C309-K320 PolarHBondContact O-N 3.43Å; C309-W322 HydrophobicContact CB-CH2 4.09Å; C309-W322 HydrophobicContact CB-CZ3 3.77Å; C309-E406 HydrophobicContact CB-CB 4.29Å; C309-D448 CarbonylContact C-O 3.43Å; C309-D448 WeakPolarHBondContact CA-O 3.35Å; C309-D448 PolarHBondContact SG-O 3.17Å; C309-D448 VanDerWaalsContact SG-O 3.38Å |
| 310 | R | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 111.5 | 170.3 | 178.6 | 175.7 | 167.3 | 167.3 | -0.3 | 109.1 | Y237 L238 G240 D317 L319 D448 E466 | Y237-R310 PolarHBondContact O-NH1 2.9Å; Y237-R310 VanDerWaalsContact O-NH1 3.12Å; Y237-R310 PolarHBondContact O-NH2 3.31Å; L238-R310 HydrophobicContact CD2-CG 3.99Å; G240-R310 PolarHBondContact O-NH2 3.18Å; R310-D317 HydrophobicContact CG-CB 3.96Å; R310-D317 IonicContact CZ-OD2 3.83Å; R310-D317 VanDerWaalsContact CZ-OD2 3.26Å; R310-D317 IonicContact NE-OD2 3.83Å; R310-D317 PolarHBondContact NE-OD2 3.45Å; R310-D317 IonicContact NH2-OD2 3.01Å; R310-D317 PolarHBondContact NH2-OD2 2.96Å; R310-L319 HydrophobicContact CB-CD2 4.08Å; R310-D448 PolarHBondContact N-O 3.49Å; R310-D448 VanDerWaalsContact O-CB 3.25Å; R310-D448 WeakPolarHBondContact O-CB 3.34Å; R310-D448 VanDerWaalsContact O-CG 3.3Å; R310-E466 HydrophobicContact CB-CG 4.17Å; R310-E466 WeakPolarHBondContact CD-OE1 3.29Å; R310-E466 IonicContact NH1-OE1 2.61Å |
| 311 | I | 98.3 | Very high | 97.3 | Very high | 23 Ų | 23 | 35 Ų | 35 | 12% | 0.118 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 125.2 | -178.7 | -51.1 | -54.2 | 0 | 0 | 0 | 108.5 | C309 D317 T318 K320 W322 E406 | C309-I311 HydrophobicContact CB-CD1 4.12Å; I311-D317 CarbonylContact O-C 3.56Å; I311-D317 VanDerWaalsContact O-CA 3.22Å; I311-D317 WeakPolarHBondContact O-CA 3.19Å; I311-D317 VanDerWaalsContact O-CB 3.24Å; I311-D317 WeakPolarHBondContact O-CB 3.35Å; I311-T318 PolarHBondContact N-O 3.2Å; I311-T318 PolarHBondContact O-N 2.81Å; I311-K320 HydrophobicContact CD1-CB 4.4Å; I311-K320 HydrophobicContact CG1-CB 3.8Å; I311-K320 HydrophobicContact CG1-CD 4.35Å; I311-W322 HydrophobicContact CD1-CH2 4.31Å; I311-E406 HydrophobicContact CD1-CB 4.46Å; I311-E406 HydrophobicContact CD1-CG 4.1Å |
| 312 | P | 98.2 | Very high | 97.2 | Very high | 10 Ų | 10 | 36.5 Ų | 36.5 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | trans | -64.9 | 140.1 | 178 | 34 | -42.6 | 0 | 0 | 0 | 110.6 | D317 W385 A386 R389 | P312-D317 WeakPolarHBondContact CA-OD1 3.38Å; P312-W385 HydrophobicContact CB-CB 4.46Å; P312-W385 HydrophobicContact CB-CG 4.04Å; P312-W385 VanDerWaalsContact CG-CD1 3.43Å; P312-W385 HydrophobicContact CG-CD2 4.23Å; P312-W385 HydrophobicContact CG-CG 3.94Å; P312-A386 HydrophobicContact CB-CB 3.98Å; P312-R389 VanDerWaalsContact CG-CD 3.49Å | ||
| 313 | G | 98 | Very high | 96.6 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 18% | 0.175 | 22% | 0.22 | C | C | . | . | trans | -129.6 | 161.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R241 V315 S316 D317 A386 | R241-G313 PolarHBondContact NH1-O 3.35Å; G313-V315 PolarHBondContact O-N 2.92Å; G313-S316 VanDerWaalsContact CA-O 3.25Å; G313-S316 WeakPolarHBondContact CA-O 3.44Å; G313-D317 PolarHBondContact N-OD1 2.92Å; G313-A386 WeakPolarHBondContact O-CB 3.39Å | ||
| 314 | V | 97.8 | Very high | 96 | Very high | 62 Ų | 62 | 37.8 Ų | 37.8 | 38% | 0.376 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -63.2 | -45 | -174.3 | -178.3 | 0 | 0 | 0 | 0 | 111 | S383 A386 E387 | V314-S383 WeakPolarHBondContact O-CB 3.3Å; V314-S383 PolarHBondContact O-OG 2.89Å; V314-A386 HydrophobicContact CG2-CB 4.19Å; V314-E387 HydrophobicContact CG2-CG 4.05Å |
| 315 | V | 96.2 | Very high | 96 | Very high | 109 Ų | 109 | 35.3 Ų | 35.3 | 66% | 0.661 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -101 | -38.4 | 179.6 | 179.2 | 0 | 0 | 0 | 0 | 112 | G313 | G313-V315 PolarHBondContact O-N 2.92Š|
| 316 | S | 95.8 | Very high | 95.8 | Very high | 35 Ų | 35 | 37 Ų | 37 | 25% | 0.245 | 20% | 0.202 | C | C | . | . | trans | -147.7 | 140.5 | -177.7 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | L238 G313 | L238-S316 PolarHBondContact O-OG 3.1Å; G313-S316 VanDerWaalsContact CA-O 3.25Å; G313-S316 WeakPolarHBondContact CA-O 3.44Å | ||
| 317 | D | 98.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.011 | 20% | 0.204 | C | C | . | . | trans | -77.9 | 171.1 | 172.8 | -65.5 | 9.3 | 0 | 0 | 0 | 110.1 | L238 R241 R310 I311 P312 G313 R382 | L238-D317 HydrophobicContact CB-CB 4.36Å; L238-D317 HydrophobicContact CD2-CB 4.07Å; L238-D317 PolarHBondContact O-N 3.39Å; R241-D317 IonicContact CZ-OD1 2.79Å; R241-D317 IonicContact NH1-OD1 3.77Å; R241-D317 PolarHBondContact NH1-OD1 3.05Å; R241-D317 VanDerWaalsContact NH2-CG 3.3Å; R241-D317 IonicContact NH2-OD1 2.87Å; R241-D317 PolarHBondContact NH2-OD1 3.15Å; R241-D317 IonicContact NH2-OD2 2.8Å; R310-D317 HydrophobicContact CG-CB 3.96Å; R310-D317 IonicContact CZ-OD2 3.83Å; R310-D317 VanDerWaalsContact CZ-OD2 3.26Å; R310-D317 IonicContact NE-OD2 3.83Å; R310-D317 PolarHBondContact NE-OD2 3.45Å; R310-D317 IonicContact NH2-OD2 3.01Å; R310-D317 PolarHBondContact NH2-OD2 2.96Å; I311-D317 CarbonylContact O-C 3.56Å; I311-D317 VanDerWaalsContact O-CA 3.22Å; I311-D317 WeakPolarHBondContact O-CA 3.19Å; I311-D317 VanDerWaalsContact O-CB 3.24Å; I311-D317 WeakPolarHBondContact O-CB 3.35Å; P312-D317 WeakPolarHBondContact CA-OD1 3.38Å; G313-D317 PolarHBondContact N-OD1 2.92Å; D317-R382 IonicContact OD2-CZ 3.23Å; D317-R382 VanDerWaalsContact OD2-CZ 3.32Å; D317-R382 IonicContact OD2-NE 3.58Å; D317-R382 PolarHBondContact OD2-NE 3.06Å; D317-R382 IonicContact OD2-NH2 3.21Å; D317-R382 PolarHBondContact OD2-NH2 3.17Å | ||
| 318 | T | 97.6 | Very high | 95.8 | Very high | 91 Ų | 91 | 37.2 Ų | 37.2 | 56% | 0.558 | 20% | 0.203 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 132.7 | 175.4 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | I311 K320 | I311-T318 PolarHBondContact N-O 3.2Å; I311-T318 PolarHBondContact O-N 2.81Å; T318-K320 PolarHBondContact O-N 3.41Å |
| 319 | L | 97.1 | Very high | 95.8 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 120.2 | 168.4 | -84.8 | 175.2 | 0 | 0 | 0 | 110.6 | E233 L238 T308 R310 S468 W469 | E233-L319 HydrophobicContact CG-CD1 4.24Å; L238-L319 HydrophobicContact CD2-CG 4.16Å; T308-L319 HydrophobicContact CG2-CD2 3.8Å; R310-L319 HydrophobicContact CB-CD2 4.08Å; L319-S468 WeakPolarHBondContact CD1-OG 3.34Å; L319-S468 VanDerWaalsContact CD2-OG 3.3Å; L319-S468 WeakPolarHBondContact CD2-OG 3.41Å; L319-S468 WeakPolarHBondContact CG-OG 3.15Å; L319-W469 HydrophobicContact CD1-CB 3.86Å; L319-W469 HydrophobicContact CD2-CB 4.23Å |
| 320 | K | 97.6 | Very high | 95.9 | Very high | 96 Ų | 96 | 37.2 Ų | 37.2 | 42% | 0.417 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.3 | 174.9 | -169.8 | 166.5 | 178.5 | 178.5 | 0 | 110 | T308 C309 I311 T318 W322 | T308-K320 VanDerWaalsContact CA-O 3.31Å; T308-K320 WeakPolarHBondContact CA-O 3.5Å; C309-K320 PolarHBondContact N-O 3.01Å; C309-K320 PolarHBondContact O-N 3.43Å; I311-K320 HydrophobicContact CD1-CB 4.4Å; I311-K320 HydrophobicContact CG1-CB 3.8Å; I311-K320 HydrophobicContact CG1-CD 4.35Å; T318-K320 PolarHBondContact O-N 3.41Å; K320-W322 HydrophobicContact CB-CH2 3.83Å; K320-W322 HydrophobicContact CB-CZ2 4.43Å; K320-W322 HydrophobicContact CB-CZ3 3.95Å; K320-W322 HydrophobicContact CD-CH2 3.64Å; K320-W322 HydrophobicContact CD-CZ2 3.43Å; K320-W322 VanDerWaalsContact CD-CZ2 3.43Å; K320-W322 HydrophobicContact CD-CZ3 4.42Å; K320-W322 VanDerWaalsContact CE-CZ2 3.48Å; K320-W322 HydrophobicContact CG-CD2 4.31Å; K320-W322 HydrophobicContact CG-CE3 4.24Å; K320-W322 HydrophobicContact CG-CH2 3.62Å; K320-W322 HydrophobicContact CG-CZ2 3.74Å; K320-W322 HydrophobicContact CG-CZ3 3.9Å; K320-W322 WeakPolarHBondContact O-CZ3 3.37Å |
| 321 | H | 97.1 | Very high | 95.9 | Very high | 61 Ų | 61 | 37.7 Ų | 37.7 | 28% | 0.282 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 133.3 | 176.9 | -178.6 | 71.7 | 0 | 0 | 0 | 110.7 | E303 F306 N307 T308 | E303-H321 PolarHBondContact O-CE1 3.12Å; F306-H321 PolarHBondContact O-CE1 2.99Å; F306-H321 PolarHBondContact O-ND1 3.04Å; N307-H321 CarbonylContact O-C 3.48Å; N307-H321 WeakPolarHBondContact O-CA 3.22Å; N307-H321 PolarHBondContact O-ND1 3.35Å; T308-H321 PolarHBondContact OG1-ND1 3.19Å |
| 322 | W | 94.6 | Very high | 95.9 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 14% | 0.136 | 20% | 0.199 | C | C | . | . | trans | -108.3 | 136.5 | 177.9 | -68 | -102.2 | 0 | 0 | 0 | 111 | N307 C309 I311 K320 D324 H403 E406 | N307-W322 HydrophobicContact CB-CB 4.3Å; N307-W322 WeakPolarHBondContact CB-O 3.4Å; N307-W322 PolarHBondContact ND2-O 3.32Å; N307-W322 VanDerWaalsContact ND2-O 3.08Å; N307-W322 VanDerWaalsContact O-CE3 3.31Å; N307-W322 PolarHBondContact O-N 3.18Å; C309-W322 HydrophobicContact CB-CH2 4.09Å; C309-W322 HydrophobicContact CB-CZ3 3.77Å; I311-W322 HydrophobicContact CD1-CH2 4.31Å; K320-W322 HydrophobicContact CB-CH2 3.83Å; K320-W322 HydrophobicContact CB-CZ2 4.43Å; K320-W322 HydrophobicContact CB-CZ3 3.95Å; K320-W322 HydrophobicContact CD-CH2 3.64Å; K320-W322 HydrophobicContact CD-CZ2 3.43Å; K320-W322 VanDerWaalsContact CD-CZ2 3.43Å; K320-W322 HydrophobicContact CD-CZ3 4.42Å; K320-W322 VanDerWaalsContact CE-CZ2 3.48Å; K320-W322 HydrophobicContact CG-CD2 4.31Å; K320-W322 HydrophobicContact CG-CE3 4.24Å; K320-W322 HydrophobicContact CG-CH2 3.62Å; K320-W322 HydrophobicContact CG-CZ2 3.74Å; K320-W322 HydrophobicContact CG-CZ3 3.9Å; K320-W322 WeakPolarHBondContact O-CZ3 3.37Å; W322-D324 PolarHBondContact O-N 3.13Å; W322-H403 AromaticContact NE1-NE2 3.65Å; W322-E406 HydrophobicContact CH2-CB 3.68Å; W322-E406 HydrophobicContact CZ2-CB 4.14Å; W322-E406 HydrophobicContact CZ3-CB 4.48Å; W322-E406 VanDerWaalsContact CZ3-O 3.25Å; W322-E406 WeakPolarHBondContact CZ3-O 3.27Å | ||
| 323 | N | 84.5 | Confident | 95.8 | Very high | 106 Ų | 106 | 40.9 Ų | 40.9 | 57% | 0.567 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -77.7 | -17.3 | -174.5 | -76.7 | -63.5 | 0 | 0 | 0 | 115.3 | R45 | R45-N323 PolarHBondContact NH1-OD1 3.09Š|
| 324 | D | 81.5 | Confident | 95.7 | Very high | 47 Ų | 47 | 40.2 Ų | 40.2 | 25% | 0.251 | 21% | 0.209 | S | C | . | . | trans | -152.6 | 67.4 | -174.2 | -173.7 | 18.3 | 0 | 0 | 0 | 113 | R37 R41 W322 R326 | R37-D324 IonicContact CZ-OD2 2.87Å; R37-D324 IonicContact NH2-OD2 3.93Å; R37-D324 PolarHBondContact NH2-OD2 2.99Å; R37-D324 VanDerWaalsContact NH2-OD2 3.13Å; R41-D324 IonicContact CZ-OD1 3.63Å; R41-D324 IonicContact NH1-OD1 3.13Å; R41-D324 PolarHBondContact NH1-OD1 3.04Å; R41-D324 IonicContact NH1-OD2 2.82Å; R41-D324 PolarHBondContact NH1-OD2 2.9Å; R41-D324 IonicContact NH2-OD1 3.92Å; W322-D324 PolarHBondContact O-N 3.13Å; D324-R326 IonicContact OD1-NE 3.66Å; D324-R326 IonicContact OD2-NE 2.95Å | ||
| 325 | S | 94.2 | Very high | 95.7 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.028 | 19% | 0.192 | C | C | . | . | trans | -73.8 | 127.9 | 170.9 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | R279 N307 S407 | R279-S325 VanDerWaalsContact CZ-O 3.31Å; R279-S325 PolarHBondContact NH1-O 3.24Å; R279-S325 PolarHBondContact NH2-O 3.29Å; N307-S325 VanDerWaalsContact CB-OG 3.3Å; N307-S325 WeakPolarHBondContact CB-OG 3.42Å; N307-S325 VanDerWaalsContact CG-OG 3.3Å; N307-S325 VanDerWaalsContact OD1-CB 3.3Å; N307-S325 WeakPolarHBondContact OD1-CB 3.08Å; N307-S325 PolarHBondContact OD1-OG 2.96Å; S325-S407 WeakPolarHBondContact CB-O 3.46Å; S325-S407 PolarHBondContact OG-O 2.69Å | ||
| 326 | R | 93.5 | Very high | 95.8 | Very high | 38 Ų | 38 | 32 Ų | 32 | 14% | 0.143 | 16% | 0.16 | C | C | . | . | trans | -111 | 6.5 | -177 | -69.8 | -172 | 155.5 | -106.8 | -29.2 | 114.4 | D324 M340 I341 G344 | D324-R326 IonicContact OD1-NE 3.66Å; D324-R326 IonicContact OD2-NE 2.95Å; R326-M340 HydrophobicContact CB-CE 3.83Å; R326-I341 WeakPolarHBondContact O-CG1 3.49Å; R326-I341 PolarHBondContact O-N 2.87Å; R326-I341 VanDerWaalsContact O-N 3.09Å; R326-G344 PolarHBondContact NH1-O 3.34Å | ||
| 327 | H | 98 | Very high | 96 | Very high | 13 Ų | 13 | 30.8 Ų | 30.8 | 6% | 0.06 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 161.6 | -177.6 | 64.2 | -75.8 | 0 | 0 | 0 | 109.7 | K338 V339 M340 A404 S407 S408 A409 | H327-K338 HydrophobicContact CB-CG 3.85Å; H327-V339 CarbonylContact C-O 3.6Å; H327-V339 WeakPolarHBondContact CA-O 3.49Å; H327-V339 WeakPolarHBondContact CB-O 3.43Å; H327-M340 HydrophobicContact CB-SD 3.94Å; H327-A404 PolarHBondContact CD2-O 3.44Å; H327-A404 PolarHBondContact NE2-O 2.9Å; H327-S407 PolarHBondContact CE1-OG 3.48Å; H327-S408 WeakPolarHBondContact NE2-CA 3.44Å; H327-A409 PolarHBondContact O-N 2.91Å |
| 328 | I | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 159.1 | 161.4 | 59.3 | 173.6 | 0 | 0 | 0 | 108.1 | T272 V330 V339 I341 F357 A409 F410 L412 | T272-I328 HydrophobicContact CG2-CD1 3.96Å; I328-V330 HydrophobicContact CD1-CG2 3.87Å; I328-V330 HydrophobicContact CG1-CG2 4Å; I328-V339 HydrophobicContact CG1-CB 3.92Å; I328-V339 HydrophobicContact CG1-CG1 4.44Å; I328-V339 PolarHBondContact N-O 2.91Å; I328-V339 PolarHBondContact O-N 2.9Å; I328-I341 HydrophobicContact CG1-CG2 4.17Å; I328-I341 HydrophobicContact CG2-CG2 3.91Å; I328-F357 HydrophobicContact CD1-CE1 4.36Å; I328-F357 HydrophobicContact CD1-CZ 4.02Å; I328-A409 HydrophobicContact CG2-CB 4.2Å; I328-F410 HydrophobicContact CG2-CD1 3.91Å; I328-F410 HydrophobicContact CG2-CD2 4.33Å; I328-F410 HydrophobicContact CG2-CE1 3.64Å; I328-F410 HydrophobicContact CG2-CE2 4.07Å; I328-F410 HydrophobicContact CG2-CG 4.26Å; I328-F410 HydrophobicContact CG2-CZ 3.73Å; I328-L412 HydrophobicContact CD1-CB 4.14Å; I328-L412 HydrophobicContact CD1-CD2 4.19Å |
| 329 | A | 98.8 | Very high | 96 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 138.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | W336 F337 I405 F410 I411 L412 | A329-W336 HydrophobicContact CB-CE3 4.41Å; A329-W336 HydrophobicContact CB-CZ3 4.49Å; A329-F337 CarbonylContact C-O 3.57Å; A329-F337 VanDerWaalsContact CA-O 3.31Å; A329-F337 WeakPolarHBondContact CA-O 2.83Å; A329-I405 HydrophobicContact CB-CG1 4.31Å; A329-I405 HydrophobicContact CB-CG2 4.5Å; A329-F410 PolarHBondContact N-O 3.42Å; A329-I411 HydrophobicContact CB-CG1 3.99Å; A329-I411 WeakPolarHBondContact O-CA 3.07Å; A329-L412 PolarHBondContact O-N 2.86Å |
| 330 | V | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 128 | 179 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | I328 W336 F337 V339 F357 L360 L412 L414 | I328-V330 HydrophobicContact CD1-CG2 3.87Å; I328-V330 HydrophobicContact CG1-CG2 4Å; V330-W336 WeakPolarHBondContact O-CA 3.19Å; V330-F337 HydrophobicContact CB-CB 4.37Å; V330-F337 PolarHBondContact N-O 3.31Å; V330-F337 PolarHBondContact O-N 2.9Å; V330-V339 HydrophobicContact CB-CG2 4.26Å; V330-V339 HydrophobicContact CG2-CB 4.05Å; V330-V339 HydrophobicContact CG2-CG2 3.47Å; V330-V339 VanDerWaalsContact CG2-CG2 3.47Å; V330-F357 HydrophobicContact CG2-CE1 4.16Å; V330-L360 HydrophobicContact CG1-CD1 4.17Å; V330-L412 CarbonylContact C-O 3.59Å; V330-L412 VanDerWaalsContact CA-O 3.25Å; V330-L412 WeakPolarHBondContact CA-O 3.49Å; V330-L412 HydrophobicContact CG1-CD2 4.31Å; V330-L412 HydrophobicContact CG1-CG 4.45Å; V330-L412 HydrophobicContact CG2-CB 4.24Å; V330-L412 HydrophobicContact CG2-CD2 4.21Å; V330-L414 HydrophobicContact CG1-CD1 4.19Å; V330-L414 HydrophobicContact CG1-CG 4.24Å |
| 331 | Y | 98.6 | Very high | 95.9 | Very high | 13 Ų | 13 | 25.9 Ų | 25.9 | 5% | 0.051 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.9 | 167.3 | -179.2 | -91.4 | 0 | 0 | 0 | 109.5 | G334 C335 W336 K372 L412 V413 L414 D444 | Y331-G334 WeakPolarHBondContact OH-CA 3.36Å; Y331-C335 WeakPolarHBondContact CA-O 3.09Å; Y331-W336 HydrophobicContact CD2-CD2 4.05Å; Y331-W336 AromaticContact CD2-CE2 3.59Å; Y331-W336 HydrophobicContact CD2-CG 4.43Å; Y331-W336 HydrophobicContact CD2-CH2 4.36Å; Y331-W336 AromaticContact CD2-CZ2 3.77Å; Y331-W336 HydrophobicContact CD2-CZ2 3.77Å; Y331-W336 AromaticContact CD2-NE1 3.71Å; Y331-W336 HydrophobicContact CG-CZ2 4.41Å; Y331-K372 PolarHBondContact OH-O 3.4Å; Y331-K372 VanDerWaalsContact OH-O 3.08Å; Y331-L412 PolarHBondContact N-O 3.43Å; Y331-V413 HydrophobicContact CD1-CG1 4.02Å; Y331-L414 PolarHBondContact O-N 3.13Å; Y331-D444 HydrophobicContact CD1-CB 3.99Å; Y331-D444 HydrophobicContact CE1-CB 3.38Å |
| 332 | V | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 129 | 178 | 59.3 | 0 | 0 | 0 | 0 | 109.1 | G334 C335 F337 L360 L361 L414 | V332-G334 VanDerWaalsContact C-N 3.32Å; V332-G334 PolarHBondContact O-N 2.88Å; V332-C335 PolarHBondContact N-O 3.21Å; V332-C335 WeakPolarHBondContact O-CB 3.27Å; V332-C335 PolarHBondContact O-N 2.89Å; V332-F337 HydrophobicContact CG1-CD2 3.77Å; V332-F337 HydrophobicContact CG1-CE2 3.52Å; V332-L360 HydrophobicContact CG1-CB 4.23Å; V332-L361 HydrophobicContact CG2-CD2 3.96Å; V332-L414 HydrophobicContact CB-CB 4.13Å; V332-L414 HydrophobicContact CB-CD1 4.25Å; V332-L414 HydrophobicContact CG2-CB 4.02Å; V332-L414 HydrophobicContact CG2-CD1 4.14Å |
| 333 | K | 96.1 | Very high | 95.3 | Very high | 99 Ų | 99 | 25.1 Ų | 25.1 | 43% | 0.43 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 48.7 | 177.2 | -59.4 | 179.7 | -174 | 175.3 | 0 | 114 | C335 L361 L363 | K333-C335 VanDerWaalsContact C-N 3.27Å; K333-C335 PolarHBondContact O-N 2.98Å; K333-L361 WeakPolarHBondContact CE-O 3.31Å; K333-L361 PolarHBondContact NZ-O 3.45Å; K333-L363 PolarHBondContact NZ-O 3.06Å |
| 334 | G | 96.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | -3.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y331 V332 K372 | Y331-G334 WeakPolarHBondContact OH-CA 3.36Å; V332-G334 VanDerWaalsContact C-N 3.32Å; V332-G334 PolarHBondContact O-N 2.88Å; G334-K372 VanDerWaalsContact O-CA 3.32Å; G334-K372 WeakPolarHBondContact O-CA 3.4Å |
| 335 | C | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.3 | -168.7 | -65.1 | 0 | 0 | 0 | 0 | 111.7 | Y331 V332 K333 F337 H365 R525 | Y331-C335 WeakPolarHBondContact CA-O 3.09Å; V332-C335 PolarHBondContact N-O 3.21Å; V332-C335 WeakPolarHBondContact O-CB 3.27Å; V332-C335 PolarHBondContact O-N 2.89Å; K333-C335 VanDerWaalsContact C-N 3.27Å; K333-C335 PolarHBondContact O-N 2.98Å; C335-F337 HydrophobicContact CB-CD2 4.3Å; C335-F337 HydrophobicContact CB-CE2 3.43Å; C335-F337 VanDerWaalsContact CB-CE2 3.43Å; C335-F337 HydrophobicContact CB-CZ 4Å; C335-H365 HydrophobicContact CB-CB 4.24Å; C335-H365 WeakPolarHBondContact SG-CB 3.24Å; C335-R525 PolarHBondContact SG-NH2 3.38Å |
| 336 | W | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.8 | 174.5 | -68.1 | 90.6 | 0 | 0 | 0 | 111.8 | A329 V330 Y331 I405 I411 W446 R525 L526 W528 | A329-W336 HydrophobicContact CB-CE3 4.41Å; A329-W336 HydrophobicContact CB-CZ3 4.49Å; V330-W336 WeakPolarHBondContact O-CA 3.19Å; Y331-W336 HydrophobicContact CD2-CD2 4.05Å; Y331-W336 AromaticContact CD2-CE2 3.59Å; Y331-W336 HydrophobicContact CD2-CG 4.43Å; Y331-W336 HydrophobicContact CD2-CH2 4.36Å; Y331-W336 AromaticContact CD2-CZ2 3.77Å; Y331-W336 HydrophobicContact CD2-CZ2 3.77Å; Y331-W336 AromaticContact CD2-NE1 3.71Å; Y331-W336 HydrophobicContact CG-CZ2 4.41Å; W336-I405 HydrophobicContact CB-CD1 4.48Å; W336-I405 HydrophobicContact CD2-CD1 3.68Å; W336-I405 HydrophobicContact CD2-CG1 4.5Å; W336-I405 HydrophobicContact CE3-CD1 3.71Å; W336-I405 HydrophobicContact CE3-CG1 4.09Å; W336-I405 HydrophobicContact CG-CD1 4.04Å; W336-I405 HydrophobicContact CZ3-CD1 4.25Å; W336-I405 HydrophobicContact CZ3-CG2 4.41Å; W336-I411 HydrophobicContact CH2-CD1 4.48Å; W336-I411 HydrophobicContact CH2-CG2 4.4Å; W336-I411 HydrophobicContact CZ3-CD1 4.2Å; W336-I411 HydrophobicContact CZ3-CG2 4Å; W336-W446 HydrophobicContact CH2-CB 3.99Å; W336-W446 HydrophobicContact CH2-CE3 4.04Å; W336-W446 AromaticContact CZ2-CE3 3.89Å; W336-W446 HydrophobicContact CZ2-CE3 3.89Å; W336-R525 PolarHBondContact O-NH1 3.22Å; W336-L526 HydrophobicContact CB-CB 4.18Å; W336-L526 HydrophobicContact CB-CD1 3.93Å; W336-L526 HydrophobicContact CB-CG 4.28Å; W336-L526 WeakPolarHBondContact O-CB 3.32Å; W336-L526 PolarHBondContact O-N 2.74Å; W336-W528 HydrophobicContact CB-CZ2 4.38Å; W336-W528 HydrophobicContact CG-CZ2 4.43Å |
| 337 | F | 98.6 | Very high | 94.9 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 4% | 0.039 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 145.5 | 178.6 | -63.1 | -95 | 0 | 0 | 0 | 111.5 | A329 V330 V332 C335 V339 L360 H365 P523 Q524 R525 | A329-F337 CarbonylContact C-O 3.57Å; A329-F337 VanDerWaalsContact CA-O 3.31Å; A329-F337 WeakPolarHBondContact CA-O 2.83Å; V330-F337 HydrophobicContact CB-CB 4.37Å; V330-F337 PolarHBondContact N-O 3.31Å; V330-F337 PolarHBondContact O-N 2.9Å; V332-F337 HydrophobicContact CG1-CD2 3.77Å; V332-F337 HydrophobicContact CG1-CE2 3.52Å; C335-F337 HydrophobicContact CB-CD2 4.3Å; C335-F337 HydrophobicContact CB-CE2 3.43Å; C335-F337 VanDerWaalsContact CB-CE2 3.43Å; C335-F337 HydrophobicContact CB-CZ 4Å; F337-V339 HydrophobicContact CB-CG2 4.42Å; F337-L360 HydrophobicContact CD1-CD2 3.67Å; F337-L360 HydrophobicContact CD2-CD2 3.95Å; F337-L360 HydrophobicContact CE1-CD2 3.57Å; F337-L360 HydrophobicContact CE2-CD2 3.86Å; F337-L360 HydrophobicContact CG-CD1 4.49Å; F337-L360 HydrophobicContact CG-CD2 3.86Å; F337-L360 HydrophobicContact CZ-CD2 3.68Å; F337-H365 AromaticContact CZ-CE1 3.58Å; F337-H365 AromaticContact CZ-ND1 3.51Å; F337-P523 HydrophobicContact CB-CB 4.44Å; F337-P523 HydrophobicContact CD1-CB 4.1Å; F337-Q524 CarbonylContact C-O 3.47Å; F337-Q524 WeakPolarHBondContact CA-O 3.11Å; F337-R525 HydrophobicContact CD1-CB 4.19Å; F337-R525 HydrophobicContact CE1-CB 3.94Å; F337-R525 HydrophobicContact CE1-CG 4.2Å |
| 338 | K | 98.6 | Very high | 94.7 | Very high | 57 Ų | 57 | 28.1 Ų | 28.1 | 25% | 0.248 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 117.8 | 164.1 | 170.9 | 178.6 | 176 | -165.4 | 0 | 108.8 | H327 A404 Q524 L526 | H327-K338 HydrophobicContact CB-CG 3.85Å; K338-A404 HydrophobicContact CD-CB 4.17Å; K338-Q524 HydrophobicContact CB-CB 4.26Å; K338-Q524 PolarHBondContact N-O 3.18Å; K338-Q524 PolarHBondContact O-N 3.12Å; K338-L526 HydrophobicContact CB-CD2 3.94Å |
| 339 | V | 98.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.8 | 179.4 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | H327 I328 V330 F337 I341 I356 F357 L360 P523 | H327-V339 CarbonylContact C-O 3.6Å; H327-V339 WeakPolarHBondContact CA-O 3.49Å; H327-V339 WeakPolarHBondContact CB-O 3.43Å; I328-V339 HydrophobicContact CG1-CB 3.92Å; I328-V339 HydrophobicContact CG1-CG1 4.44Å; I328-V339 PolarHBondContact N-O 2.91Å; I328-V339 PolarHBondContact O-N 2.9Å; V330-V339 HydrophobicContact CB-CG2 4.26Å; V330-V339 HydrophobicContact CG2-CB 4.05Å; V330-V339 HydrophobicContact CG2-CG2 3.47Å; V330-V339 VanDerWaalsContact CG2-CG2 3.47Å; F337-V339 HydrophobicContact CB-CG2 4.42Å; V339-I341 PolarHBondContact O-N 2.87Å; V339-I356 HydrophobicContact CG1-CD1 3.93Å; V339-I356 HydrophobicContact CG1-CG2 4.04Å; V339-I356 HydrophobicContact CG2-CG2 4.24Å; V339-F357 HydrophobicContact CG1-CE1 4.39Å; V339-L360 HydrophobicContact CG2-CD1 4.37Å; V339-P523 HydrophobicContact CG2-CB 3.95Å |
| 340 | M | 97.3 | Very high | 94.4 | Very high | 55 Ų | 55 | 31.5 Ų | 31.5 | 27% | 0.271 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 129.2 | 175.3 | -63 | -56.7 | -63 | 0 | 0 | 109.8 | R326 H327 L348 P521 | R326-M340 HydrophobicContact CB-CE 3.83Å; H327-M340 HydrophobicContact CB-SD 3.94Å; M340-L348 WeakPolarHBondContact O-CD1 3.43Å; M340-P521 HydrophobicContact CB-CB 4.39Å; M340-P521 HydrophobicContact CB-CG 4.37Å |
| 341 | I | 95.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | trans | -95.4 | -4.5 | -178.6 | 48.4 | 156.4 | 0 | 0 | 0 | 113.1 | L276 R326 I328 V339 L347 L348 | L276-I341 HydrophobicContact CD1-CB 3.75Å; L276-I341 HydrophobicContact CD1-CD1 4.07Å; L276-I341 HydrophobicContact CD1-CG1 4.49Å; L276-I341 HydrophobicContact CD1-CG2 3.71Å; L276-I341 HydrophobicContact CD2-CD1 3.44Å; L276-I341 VanDerWaalsContact CD2-CD1 3.44Å; L276-I341 HydrophobicContact CG-CD1 4.39Å; R326-I341 WeakPolarHBondContact O-CG1 3.49Å; R326-I341 PolarHBondContact O-N 2.87Å; R326-I341 VanDerWaalsContact O-N 3.09Å; I328-I341 HydrophobicContact CG1-CG2 4.17Å; I328-I341 HydrophobicContact CG2-CG2 3.91Å; V339-I341 PolarHBondContact O-N 2.87Å; I341-L347 HydrophobicContact CB-CD1 4.35Å; I341-L347 WeakPolarHBondContact O-CD1 3.48Å; I341-L348 PolarHBondContact O-N 2.87Å | ||
| 342 | H | 91.7 | Very high | 94 | Very high | 24 Ų | 24 | 31.2 Ų | 31.2 | 11% | 0.111 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.5 | 178.8 | -65.2 | 79.1 | 0 | 0 | 0 | 110.5 | R346 | H342-R346 CarbonylContact C-O 3.51Å; H342-R346 VanDerWaalsContact CA-O 3.23Å; H342-R346 WeakPolarHBondContact CA-O 3.38Å; H342-R346 WeakPolarHBondContact CB-O 3.49Å |
| 343 | N | 86.8 | Confident | 94 | Very high | 57 Ų | 57 | 31.2 Ų | 31.2 | 31% | 0.305 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 104.8 | 158.3 | -174.4 | 13.4 | 0 | 0 | 0 | 108.4 | N345 R346 L348 V518 | N343-N345 PolarHBondContact O-N 2.99Å; N343-N345 VanDerWaalsContact O-N 3.08Å; N343-R346 PolarHBondContact N-O 3.2Å; N343-R346 PolarHBondContact O-N 3.33Å; N343-L348 HydrophobicContact CB-CD2 3.88Å; N343-V518 WeakPolarHBondContact ND2-CG1 3.36Å |
| 344 | G | 81.9 | Confident | 94.1 | Very high | 50 Ų | 50 | 26.9 Ų | 26.9 | 52% | 0.515 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | -108.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R326 | R326-G344 PolarHBondContact NH1-O 3.34Š|
| 345 | N | 82.5 | Confident | 94 | Very high | 131 Ų | 131 | 31.9 Ų | 31.9 | 70% | 0.701 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -10.1 | 177.8 | -70.5 | -37.9 | 0 | 0 | 0 | 113.6 | N343 | N343-N345 PolarHBondContact O-N 2.99Å; N343-N345 VanDerWaalsContact O-N 3.08Å |
| 346 | R | 88.5 | Confident | 94 | Very high | 77 Ų | 77 | 32 Ų | 32 | 29% | 0.291 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 138.9 | 179.4 | -169.6 | -179.3 | 59.4 | 79.9 | -17.5 | 109.5 | H342 N343 E352 E517 | H342-R346 CarbonylContact C-O 3.51Å; H342-R346 VanDerWaalsContact CA-O 3.23Å; H342-R346 WeakPolarHBondContact CA-O 3.38Å; H342-R346 WeakPolarHBondContact CB-O 3.49Å; N343-R346 PolarHBondContact N-O 3.2Å; N343-R346 PolarHBondContact O-N 3.33Å; R346-E352 IonicContact CZ-OE1 2.61Å; R346-E352 IonicContact CZ-OE2 3.58Å; R346-E352 IonicContact NH1-OE1 2.55Å; R346-E352 IonicContact NH1-OE2 3.12Å; R346-E352 PolarHBondContact NH1-OE2 2.91Å; R346-E352 VanDerWaalsContact NH2-CD 3.32Å; R346-E352 IonicContact NH2-OE1 2.79Å; R346-E352 PolarHBondContact NH2-OE1 3.48Å; R346-E352 IonicContact NH2-OE2 2.67Å; R346-E352 PolarHBondContact NH2-OE2 2.69Å; R346-E352 VanDerWaalsContact NH2-OE2 3.1Å; R346-E517 IonicContact NH2-OE2 2.84Å |
| 347 | L | 92 | Very high | 94 | Very high | 12 Ų | 12 | 32 Ų | 32 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 136.7 | 167.9 | -170.6 | 68.7 | 0 | 0 | 0 | 108.9 | Y273 L276 I277 I341 K349 | Y273-L347 HydrophobicContact CD2-CD2 3.84Å; Y273-L347 HydrophobicContact CD2-CG 4.39Å; Y273-L347 HydrophobicContact CE2-CD2 3.61Å; Y273-L347 HydrophobicContact CE2-CG 4.19Å; L276-L347 HydrophobicContact CB-CD1 4.12Å; L276-L347 HydrophobicContact CB-CD2 3.89Å; L276-L347 HydrophobicContact CD1-CD1 3.58Å; L276-L347 HydrophobicContact CD1-CD2 4.39Å; L276-L347 HydrophobicContact CD1-CG 4.37Å; L276-L347 HydrophobicContact CG-CD1 4.38Å; I277-L347 HydrophobicContact CD1-CD2 4.35Å; I341-L347 HydrophobicContact CB-CD1 4.35Å; I341-L347 WeakPolarHBondContact O-CD1 3.48Å; L347-K349 PolarHBondContact O-N 3.09Å |
| 348 | L | 95 | Very high | 94 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 139.6 | 172.8 | -67 | 178.6 | 0 | 0 | 0 | 110 | Y273 M340 I341 N343 E352 L353 I356 P520 | Y273-L348 WeakPolarHBondContact CD2-O 3.23Å; Y273-L348 WeakPolarHBondContact CE2-O 3.3Å; M340-L348 WeakPolarHBondContact O-CD1 3.43Å; I341-L348 PolarHBondContact O-N 2.87Å; N343-L348 HydrophobicContact CB-CD2 3.88Å; L348-E352 WeakPolarHBondContact CA-OE2 3.29Å; L348-E352 HydrophobicContact CB-CB 4.3Å; L348-E352 HydrophobicContact CD2-CB 4.35Å; L348-L353 HydrophobicContact CB-CD2 3.96Å; L348-L353 HydrophobicContact CB-CG 3.91Å; L348-L353 HydrophobicContact CD1-CD2 3.86Å; L348-I356 HydrophobicContact CD1-CD1 3.89Å; L348-P520 HydrophobicContact CD1-CB 4.2Å; L348-P520 HydrophobicContact CD2-CB 4.28Å |
| 349 | K | 94.4 | Very high | 93.9 | Very high | 58 Ų | 58 | 36 Ų | 36 | 25% | 0.252 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -72.4 | 160.1 | 174 | -67.4 | -177.2 | -176.6 | -175.1 | 0 | 109.7 | L347 C351 E352 L353 E517 | L347-K349 PolarHBondContact O-N 3.09Å; K349-C351 PolarHBondContact O-N 3.21Å; K349-E352 HydrophobicContact CB-CG 4.11Å; K349-E352 PolarHBondContact N-OE2 3.36Å; K349-E352 WeakPolarHBondContact O-CB 3.32Å; K349-E352 PolarHBondContact O-N 2.87Å; K349-L353 PolarHBondContact O-N 3.41Å; K349-E517 WeakPolarHBondContact CE-OE1 3.36Å; K349-E517 WeakPolarHBondContact CE-OE2 3.21Å; K349-E517 IonicContact NZ-OE1 3.35Å; K349-E517 PolarHBondContact NZ-OE1 2.93Å; K349-E517 IonicContact NZ-OE2 3.39Å; K349-E517 PolarHBondContact NZ-OE2 3.42Å |
| 350 | P | 95.1 | Very high | 93.9 | Very high | 14 Ų | 14 | 36 Ų | 36 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56 | -47.1 | 176.7 | -23.3 | 32.4 | 0 | 0 | 0 | 113.6 | A269 N270 Y273 E352 L353 E354 L490 C512 | A269-P350 VanDerWaalsContact CB-O 3.28Å; A269-P350 WeakPolarHBondContact CB-O 3.47Å; N270-P350 WeakPolarHBondContact OD1-CB 3.16Å; Y273-P350 HydrophobicContact CD1-CG 4.28Å; Y273-P350 HydrophobicContact CD2-CG 3.97Å; Y273-P350 HydrophobicContact CG-CG 3.81Å; P350-E352 PolarHBondContact O-N 3.49Å; P350-E352 VanDerWaalsContact O-N 3.13Å; P350-L353 WeakPolarHBondContact O-CB 3.39Å; P350-L353 PolarHBondContact O-N 2.81Å; P350-E354 WeakPolarHBondContact O-CB 3.46Å; P350-E354 PolarHBondContact O-N 3.33Å; P350-L490 HydrophobicContact CG-CD1 4.44Å; P350-L490 HydrophobicContact CG-CD2 4.12Å; P350-C512 HydrophobicContact CB-CB 3.94Å |
| 351 | C | 94.8 | Very high | 93.9 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61 | -24.9 | 176.2 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | K349 K355 C512 G514 V516 | K349-C351 PolarHBondContact O-N 3.21Å; C351-K355 PolarHBondContact O-N 3.07Å; C351-C512 HydrophobicContact CB-CB 4.15Å; C351-G514 WeakPolarHBondContact CB-O 3.17Å; C351-G514 PolarHBondContact SG-O 2.71Å; C351-G514 VanDerWaalsContact SG-O 3.35Å; C351-V516 HydrophobicContact CB-CG2 4.15Å |
| 352 | E | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -78.3 | -39.8 | 174.5 | -61.7 | 174.2 | 148.2 | 0 | 0 | 111.3 | R346 L348 K349 P350 E354 V516 V518 | R346-E352 IonicContact CZ-OE1 2.61Å; R346-E352 IonicContact CZ-OE2 3.58Å; R346-E352 IonicContact NH1-OE1 2.55Å; R346-E352 IonicContact NH1-OE2 3.12Å; R346-E352 PolarHBondContact NH1-OE2 2.91Å; R346-E352 VanDerWaalsContact NH2-CD 3.32Å; R346-E352 IonicContact NH2-OE1 2.79Å; R346-E352 PolarHBondContact NH2-OE1 3.48Å; R346-E352 IonicContact NH2-OE2 2.67Å; R346-E352 PolarHBondContact NH2-OE2 2.69Å; R346-E352 VanDerWaalsContact NH2-OE2 3.1Å; L348-E352 WeakPolarHBondContact CA-OE2 3.29Å; L348-E352 HydrophobicContact CB-CB 4.3Å; L348-E352 HydrophobicContact CD2-CB 4.35Å; K349-E352 HydrophobicContact CB-CG 4.11Å; K349-E352 PolarHBondContact N-OE2 3.36Å; K349-E352 WeakPolarHBondContact O-CB 3.32Å; K349-E352 PolarHBondContact O-N 2.87Å; P350-E352 PolarHBondContact O-N 3.49Å; P350-E352 VanDerWaalsContact O-N 3.13Å; E352-E354 VanDerWaalsContact C-N 3.34Å; E352-V516 HydrophobicContact CG-CB 4.49Å; E352-V516 HydrophobicContact CG-CG1 4.22Å; E352-V516 HydrophobicContact CG-CG2 4.27Å; E352-V518 PolarHBondContact OE1-N 3.14Å |
| 353 | L | 97.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.1 | -39.4 | 173.2 | -69.7 | 168.7 | 0 | 0 | 0 | 111.2 | A269 T272 L348 K349 P350 K355 I356 F357 | A269-L353 HydrophobicContact CB-CB 3.8Å; T272-L353 HydrophobicContact CG2-CD1 3.9Å; T272-L353 HydrophobicContact CG2-CD2 4.48Å; L348-L353 HydrophobicContact CB-CD2 3.96Å; L348-L353 HydrophobicContact CB-CG 3.91Å; L348-L353 HydrophobicContact CD1-CD2 3.86Å; K349-L353 PolarHBondContact O-N 3.41Å; P350-L353 WeakPolarHBondContact O-CB 3.39Å; P350-L353 PolarHBondContact O-N 2.81Å; L353-K355 PolarHBondContact O-N 2.68Å; L353-I356 HydrophobicContact CD2-CD1 4.45Å; L353-I356 WeakPolarHBondContact O-CB 3.41Å; L353-I356 PolarHBondContact O-N 2.95Å; L353-I356 VanDerWaalsContact O-N 3.13Å; L353-F357 HydrophobicContact CB-CE2 4.06Å; L353-F357 HydrophobicContact CB-CZ 4.47Å; L353-F357 HydrophobicContact CD2-CZ 4.46Å; L353-F357 WeakPolarHBondContact O-CD2 3.23Å; L353-F357 WeakPolarHBondContact O-CG 3.46Å; L353-F357 PolarHBondContact O-N 3.29Å |
| 354 | E | 97.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.7 | -49.3 | 177.8 | 179.1 | 175.5 | -157.5 | 0 | 0 | 110.5 | A265 A266 A269 P350 E352 I356 F357 E358 H511 C512 | A265-E354 HydrophobicContact CB-CG 4.17Å; A266-E354 WeakPolarHBondContact CB-OE1 3.36Å; A269-E354 HydrophobicContact CB-CB 3.77Å; P350-E354 WeakPolarHBondContact O-CB 3.46Å; P350-E354 PolarHBondContact O-N 3.33Å; E352-E354 VanDerWaalsContact C-N 3.34Å; E354-I356 VanDerWaalsContact C-N 3.26Å; E354-I356 PolarHBondContact O-N 2.95Å; E354-F357 CarbonylContact O-C 3.58Å; E354-F357 PolarHBondContact O-N 3.43Å; E354-E358 HydrophobicContact CG-CG 4.08Å; E354-E358 WeakPolarHBondContact O-CB 3.4Å; E354-E358 WeakPolarHBondContact O-CG 3.36Å; E354-E358 PolarHBondContact O-N 3.36Å; E354-H511 WeakPolarHBondContact OE1-CA 3.16Å; E354-H511 WeakPolarHBondContact OE1-CB 3.41Å; E354-H511 IonicContact OE1-CE1 2.68Å; E354-H511 IonicContact OE1-CG 2.9Å; E354-H511 IonicContact OE1-ND1 2.72Å; E354-H511 PolarHBondContact OE1-ND1 3.16Å; E354-C512 WeakPolarHBondContact OE2-CB 3.29Å; E354-C512 PolarHBondContact OE2-N 3.26Å |
| 355 | K | 96.7 | Very high | 94.9 | Very high | 107 Ų | 107 | 52 Ų | 52 | 47% | 0.465 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.5 | -39.2 | 176.4 | -75.7 | -169.9 | 178.2 | 175.7 | 0 | 113.4 | C351 L353 E359 V516 | C351-K355 PolarHBondContact O-N 3.07Å; L353-K355 PolarHBondContact O-N 2.68Å; K355-E359 WeakPolarHBondContact O-CB 3.22Å; K355-E359 PolarHBondContact O-N 2.66Å; K355-V516 HydrophobicContact CD-CB 4.48Å; K355-V516 HydrophobicContact CD-CG1 4.21Å; K355-V516 HydrophobicContact CD-CG2 3.82Å; K355-V516 VanDerWaalsContact CE-CG2 3.49Å; K355-V516 HydrophobicContact CG-CG2 4.47Å |
| 356 | I | 97.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.4 | -47.1 | 176 | -58.4 | 171 | 0 | 0 | 0 | 109.8 | V339 L348 L353 E354 E359 L360 P520 P523 | V339-I356 HydrophobicContact CG1-CD1 3.93Å; V339-I356 HydrophobicContact CG1-CG2 4.04Å; V339-I356 HydrophobicContact CG2-CG2 4.24Å; L348-I356 HydrophobicContact CD1-CD1 3.89Å; L353-I356 HydrophobicContact CD2-CD1 4.45Å; L353-I356 WeakPolarHBondContact O-CB 3.41Å; L353-I356 PolarHBondContact O-N 2.95Å; L353-I356 VanDerWaalsContact O-N 3.13Å; E354-I356 VanDerWaalsContact C-N 3.26Å; E354-I356 PolarHBondContact O-N 2.95Å; I356-E359 PolarHBondContact O-N 2.86Å; I356-L360 HydrophobicContact CG2-CD1 4.25Å; I356-L360 VanDerWaalsContact O-CG 3.31Å; I356-L360 WeakPolarHBondContact O-CG 3.49Å; I356-L360 PolarHBondContact O-N 3.29Å; I356-P520 HydrophobicContact CD1-CB 3.71Å; I356-P520 HydrophobicContact CD1-CG 4.19Å; I356-P520 HydrophobicContact CG1-CB 3.83Å; I356-P520 HydrophobicContact CG1-CG 3.73Å; I356-P523 HydrophobicContact CG2-CB 4.12Å; I356-P523 HydrophobicContact CG2-CG 4.13Å |
| 357 | F | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72 | -35.4 | -176.7 | -57.3 | -30 | 0 | 0 | 0 | 112.6 | A265 A268 A269 T272 I328 V330 V339 L353 E354 L360 L361 L412 L414 | A265-F357 HydrophobicContact CB-CB 4.02Å; A268-F357 HydrophobicContact CB-CD2 3.71Å; A268-F357 HydrophobicContact CB-CE2 4.1Å; A268-F357 HydrophobicContact CB-CG 4.45Å; A269-F357 HydrophobicContact CB-CD2 4.17Å; A269-F357 HydrophobicContact CB-CE2 4.31Å; T272-F357 HydrophobicContact CG2-CZ 4.4Å; I328-F357 HydrophobicContact CD1-CE1 4.36Å; I328-F357 HydrophobicContact CD1-CZ 4.02Å; V330-F357 HydrophobicContact CG2-CE1 4.16Å; V339-F357 HydrophobicContact CG1-CE1 4.39Å; L353-F357 HydrophobicContact CB-CE2 4.06Å; L353-F357 HydrophobicContact CB-CZ 4.47Å; L353-F357 HydrophobicContact CD2-CZ 4.46Å; L353-F357 WeakPolarHBondContact O-CD2 3.23Å; L353-F357 WeakPolarHBondContact O-CG 3.46Å; L353-F357 PolarHBondContact O-N 3.29Å; E354-F357 CarbonylContact O-C 3.58Å; E354-F357 PolarHBondContact O-N 3.43Å; F357-L360 HydrophobicContact CD1-CD1 4.38Å; F357-L360 PolarHBondContact O-N 2.91Å; F357-L361 WeakPolarHBondContact O-CB 3.49Å; F357-L361 VanDerWaalsContact O-CG 3.27Å; F357-L361 WeakPolarHBondContact O-CG 2.95Å; F357-L361 PolarHBondContact O-N 2.98Å; F357-L412 HydrophobicContact CD1-CD2 4.13Å; F357-L412 HydrophobicContact CD2-CD2 4.27Å; F357-L412 HydrophobicContact CE1-CD2 3.6Å; F357-L412 HydrophobicContact CE2-CD2 3.72Å; F357-L412 HydrophobicContact CG-CD2 4.46Å; F357-L412 HydrophobicContact CZ-CD2 3.36Å; F357-L414 HydrophobicContact CB-CD1 4.3Å |
| 358 | E | 97.5 | Very high | 95.6 | Very high | 69 Ų | 69 | 56.9 Ų | 56.9 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 170.9 | -73.2 | -173.8 | 148.1 | 0 | 0 | 111.6 | A265 E354 L361 R362 H511 | A265-E358 HydrophobicContact CB-CB 4.3Å; A265-E358 HydrophobicContact CB-CG 3.37Å; E354-E358 HydrophobicContact CG-CG 4.08Å; E354-E358 WeakPolarHBondContact O-CB 3.4Å; E354-E358 WeakPolarHBondContact O-CG 3.36Å; E354-E358 PolarHBondContact O-N 3.36Å; E358-L361 PolarHBondContact O-N 3.32Å; E358-R362 WeakPolarHBondContact O-CB 3.42Å; E358-R362 PolarHBondContact O-N 3.28Å; E358-H511 IonicContact OE1-CE1 3.57Å; E358-H511 PolarHBondContact OE1-CE1 3.07Å; E358-H511 IonicContact OE1-ND1 2.69Å; E358-H511 PolarHBondContact OE1-ND1 3.38Å |
| 359 | E | 97 | Very high | 95.5 | Very high | 82 Ų | 82 | 61.4 Ų | 61.4 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 176.1 | -176.5 | 172.9 | -156.6 | 0 | 0 | 110.9 | K355 I356 L361 R362 L363 | K355-E359 WeakPolarHBondContact O-CB 3.22Å; K355-E359 PolarHBondContact O-N 2.66Å; I356-E359 PolarHBondContact O-N 2.86Å; E359-L361 VanDerWaalsContact C-N 3.32Å; E359-L361 PolarHBondContact O-N 3.21Å; E359-R362 PolarHBondContact O-N 3.05Å; E359-L363 HydrophobicContact CG-CD1 3.76Å; E359-L363 HydrophobicContact CG-CG 4.29Å; E359-L363 WeakPolarHBondContact O-CB 3.22Å; E359-L363 VanDerWaalsContact O-CG 3.25Å; E359-L363 WeakPolarHBondContact O-CG 3.33Å; E359-L363 PolarHBondContact O-N 3.44Å |
| 360 | L | 98 | Very high | 95.4 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 175.6 | -73.4 | 179.8 | 0 | 0 | 0 | 113.1 | V330 V332 F337 V339 I356 F357 H365 P523 | V330-L360 HydrophobicContact CG1-CD1 4.17Å; V332-L360 HydrophobicContact CG1-CB 4.23Å; F337-L360 HydrophobicContact CD1-CD2 3.67Å; F337-L360 HydrophobicContact CD2-CD2 3.95Å; F337-L360 HydrophobicContact CE1-CD2 3.57Å; F337-L360 HydrophobicContact CE2-CD2 3.86Å; F337-L360 HydrophobicContact CG-CD1 4.49Å; F337-L360 HydrophobicContact CG-CD2 3.86Å; F337-L360 HydrophobicContact CZ-CD2 3.68Å; V339-L360 HydrophobicContact CG2-CD1 4.37Å; I356-L360 HydrophobicContact CG2-CD1 4.25Å; I356-L360 VanDerWaalsContact O-CG 3.31Å; I356-L360 WeakPolarHBondContact O-CG 3.49Å; I356-L360 PolarHBondContact O-N 3.29Å; F357-L360 HydrophobicContact CD1-CD1 4.38Å; F357-L360 PolarHBondContact O-N 2.91Å; L360-H365 PolarHBondContact O-NE2 3.32Å; L360-P523 HydrophobicContact CD1-CB 4.28Å; L360-P523 HydrophobicContact CD1-CG 4.49Å; L360-P523 HydrophobicContact CD2-CB 4.02Å; L360-P523 HydrophobicContact CD2-CG 3.68Å; L360-P523 HydrophobicContact CG-CB 4.39Å; L360-P523 HydrophobicContact CG-CG 4.07Å |
| 361 | L | 98 | Very high | 95.4 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 20% | 0.204 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76.3 | -33.7 | 178 | -75.3 | 166.9 | 0 | 0 | 0 | 112.8 | Q264 A265 V332 K333 F357 E358 E359 L414 | Q264-L361 HydrophobicContact CB-CD1 4.16Å; Q264-L361 HydrophobicContact CG-CD1 4.01Å; A265-L361 HydrophobicContact CB-CD1 4.05Å; V332-L361 HydrophobicContact CG2-CD2 3.96Å; K333-L361 WeakPolarHBondContact CE-O 3.31Å; K333-L361 PolarHBondContact NZ-O 3.45Å; F357-L361 WeakPolarHBondContact O-CB 3.49Å; F357-L361 VanDerWaalsContact O-CG 3.27Å; F357-L361 WeakPolarHBondContact O-CG 2.95Å; F357-L361 PolarHBondContact O-N 2.98Å; E358-L361 PolarHBondContact O-N 3.32Å; E359-L361 VanDerWaalsContact C-N 3.32Å; E359-L361 PolarHBondContact O-N 3.21Å; L361-L414 HydrophobicContact CD1-CD1 4.28Å; L361-L414 HydrophobicContact CD2-CB 4.13Å; L361-L414 HydrophobicContact CD2-CD1 4.14Å; L361-L414 HydrophobicContact CG-CD1 3.95Å |
| 362 | R | 96.8 | Very high | 95.6 | Very high | 189 Ų | 189 | 61.9 Ų | 61.9 | 71% | 0.713 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -75.3 | -40.2 | -178.2 | -177.2 | -179.2 | 63.9 | 139.2 | 1.8 | 112.2 | E358 E359 | E358-R362 WeakPolarHBondContact O-CB 3.42Å; E358-R362 PolarHBondContact O-N 3.28Å; E359-R362 PolarHBondContact O-N 3.05Å |
| 363 | L | 94.5 | Very high | 95.7 | Very high | 74 Ų | 74 | 63.7 Ų | 63.7 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -68 | 146.1 | -178.8 | -67 | 173.2 | 0 | 0 | 0 | 111.3 | K333 E359 H365 | K333-L363 PolarHBondContact NZ-O 3.06Å; E359-L363 HydrophobicContact CG-CD1 3.76Å; E359-L363 HydrophobicContact CG-CG 4.29Å; E359-L363 WeakPolarHBondContact O-CB 3.22Å; E359-L363 VanDerWaalsContact O-CG 3.25Å; E359-L363 WeakPolarHBondContact O-CG 3.33Å; E359-L363 PolarHBondContact O-N 3.44Å; L363-H365 PolarHBondContact O-NE2 2.88Å |
| 364 | E | 92.8 | Very high | 95.7 | Very high | 183 Ų | 183 | 63.8 Ų | 63.8 | 86% | 0.855 | 30% | 0.302 | S | S | * | . | trans | -84 | 137.3 | 160.7 | -67.7 | -173.1 | 168.6 | 0 | 0 | 108.2 | ||||
| 365 | H | 92.9 | Very high | 95.7 | Very high | 37 Ų | 37 | 63.4 Ų | 63.4 | 17% | 0.171 | 30% | 0.3 | C | S | . | . | trans | -119.3 | 119.2 | -177.5 | -55.4 | -73.6 | 0 | 0 | 0 | 108.9 | C335 F337 L360 L363 T367 | C335-H365 HydrophobicContact CB-CB 4.24Å; C335-H365 WeakPolarHBondContact SG-CB 3.24Å; F337-H365 AromaticContact CZ-CE1 3.58Å; F337-H365 AromaticContact CZ-ND1 3.51Å; L360-H365 PolarHBondContact O-NE2 3.32Å; L363-H365 PolarHBondContact O-NE2 2.88Å; H365-T367 PolarHBondContact O-N 3.11Å | ||
| 366 | E | 91.2 | Very high | 95.7 | Very high | 190 Ų | 190 | 58.3 Ų | 58.3 | 89% | 0.888 | 28% | 0.278 | S | S | * | . | trans | -63.7 | 127.8 | 168.7 | -66.3 | 178.4 | -179.5 | 0 | 0 | 109.2 | R525 | E366-R525 PolarHBondContact O-NH2 2.98Š| ||
| 367 | T | 93.5 | Very high | 95.8 | Very high | 52 Ų | 52 | 58.2 Ų | 58.2 | 32% | 0.319 | 28% | 0.278 | S | S | . | . | trans | -147.1 | 145.8 | 178 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | H365 K372 | H365-T367 PolarHBondContact O-N 3.11Å; T367-K372 HydrophobicContact CG2-CB 4.33Å; T367-K372 PolarHBondContact OG1-N 3.12Å | ||
| 368 | T | 93 | Very high | 95.8 | Very high | 80 Ų | 80 | 58.2 Ų | 58.2 | 49% | 0.491 | 28% | 0.278 | S | S | . | . | trans | -84 | 161.1 | 165.6 | 63.9 | 0 | 0 | 0 | 0 | 109.6 | A370 E371 K372 | T368-A370 VanDerWaalsContact C-N 3.25Å; T368-A370 PolarHBondContact O-N 3.33Å; T368-E371 PolarHBondContact O-N 2.99Å; T368-E371 WeakPolarHBondContact OG1-CB 3.29Å; T368-E371 PolarHBondContact OG1-N 3.45Å; T368-E371 VanDerWaalsContact OG1-N 3.17Å; T368-K372 WeakPolarHBondContact O-CB 3.34Å; T368-K372 PolarHBondContact O-N 2.85Å | ||
| 369 | D | 92 | Very high | 95.8 | Very high | 96 Ų | 96 | 55 Ų | 55 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.3 | -40 | 172.9 | -77.9 | -26.3 | 0 | 0 | 0 | 111.6 | E371 K372 Y373 L539 | D369-E371 VanDerWaalsContact C-N 3.32Å; D369-E371 PolarHBondContact O-N 2.93Å; D369-K372 PolarHBondContact O-N 2.97Å; D369-Y373 HydrophobicContact CB-CD2 4.17Å; D369-Y373 HydrophobicContact CB-CE2 3.93Å; D369-Y373 WeakPolarHBondContact O-CB 3.23Å; D369-Y373 WeakPolarHBondContact O-CD2 3.29Å; D369-Y373 PolarHBondContact O-N 3.21Å; D369-L539 HydrophobicContact CB-CD2 4.48Å |
| 370 | A | 93.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.7 | -43.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | T368 L374 L530 C535 I538 | T368-A370 VanDerWaalsContact C-N 3.25Å; T368-A370 PolarHBondContact O-N 3.33Å; A370-L374 WeakPolarHBondContact O-CG 3.27Å; A370-L374 PolarHBondContact O-N 3.08Å; A370-L530 HydrophobicContact CB-CB 4.47Å; A370-L530 HydrophobicContact CB-CD1 3.82Å; A370-C535 HydrophobicContact CB-CB 3.93Å; A370-C535 WeakPolarHBondContact CB-SG 3.21Å; A370-I538 HydrophobicContact CB-CD1 4.15Å |
| 371 | E | 95.3 | Very high | 95.8 | Very high | 22 Ų | 22 | 54 Ų | 54 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.4 | -46 | 176 | 179.5 | 170.3 | -162.4 | 0 | 0 | 112.3 | T368 D369 Y373 L374 R525 W528 L530 | T368-E371 PolarHBondContact O-N 2.99Å; T368-E371 WeakPolarHBondContact OG1-CB 3.29Å; T368-E371 PolarHBondContact OG1-N 3.45Å; T368-E371 VanDerWaalsContact OG1-N 3.17Å; D369-E371 VanDerWaalsContact C-N 3.32Å; D369-E371 PolarHBondContact O-N 2.93Å; E371-Y373 PolarHBondContact O-N 2.69Å; E371-Y373 VanDerWaalsContact O-N 3.16Å; E371-L374 HydrophobicContact CG-CD1 4.13Å; E371-L374 WeakPolarHBondContact O-CB 3.46Å; E371-L374 WeakPolarHBondContact O-CG 3.46Å; E371-L374 PolarHBondContact O-N 3.18Å; E371-L374 VanDerWaalsContact O-N 3.16Å; E371-R525 IonicContact OE1-CZ 3.72Å; E371-R525 IonicContact OE1-NH1 3.91Å; E371-R525 PolarHBondContact OE1-NH1 2.98Å; E371-R525 IonicContact OE1-NH2 2.68Å; E371-R525 PolarHBondContact OE1-NH2 3.21Å; E371-R525 IonicContact OE2-CZ 2.7Å; E371-R525 IonicContact OE2-NH2 3.23Å; E371-R525 PolarHBondContact OE2-NH2 2.96Å; E371-W528 PolarHBondContact OE1-NE1 3.44Å; E371-L530 HydrophobicContact CB-CD1 4.37Å |
| 372 | K | 97 | Very high | 95.8 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 27% | 0.274 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -53.1 | -38.1 | 179.3 | -180 | -178.2 | 177.1 | -166 | 0 | 112 | Y331 G334 T367 T368 D369 | Y331-K372 PolarHBondContact OH-O 3.4Å; Y331-K372 VanDerWaalsContact OH-O 3.08Å; G334-K372 VanDerWaalsContact O-CA 3.32Å; G334-K372 WeakPolarHBondContact O-CA 3.4Å; T367-K372 HydrophobicContact CG2-CB 4.33Å; T367-K372 PolarHBondContact OG1-N 3.12Å; T368-K372 WeakPolarHBondContact O-CB 3.34Å; T368-K372 PolarHBondContact O-N 2.85Å; D369-K372 PolarHBondContact O-N 2.97Å |
| 373 | Y | 98 | Very high | 95.9 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 9.8 | -174 | -57 | -40.5 | 0 | 0 | 0 | 114.9 | D369 E371 G375 A376 Y443 L539 V542 | D369-Y373 HydrophobicContact CB-CD2 4.17Å; D369-Y373 HydrophobicContact CB-CE2 3.93Å; D369-Y373 WeakPolarHBondContact O-CB 3.23Å; D369-Y373 WeakPolarHBondContact O-CD2 3.29Å; D369-Y373 PolarHBondContact O-N 3.21Å; E371-Y373 PolarHBondContact O-N 2.69Å; E371-Y373 VanDerWaalsContact O-N 3.16Å; Y373-G375 PolarHBondContact O-N 3Å; Y373-G375 VanDerWaalsContact O-N 3.08Å; Y373-A376 WeakPolarHBondContact O-CB 3.43Å; Y373-A376 PolarHBondContact O-N 3.18Å; Y373-Y443 AromaticContact CD1-CD1 3.59Å; Y373-Y443 HydrophobicContact CD1-CD1 3.59Å; Y373-Y443 AromaticContact CD1-CD2 3.62Å; Y373-Y443 HydrophobicContact CD1-CD2 3.62Å; Y373-Y443 AromaticContact CD1-CE1 3.8Å; Y373-Y443 HydrophobicContact CD1-CE1 3.8Å; Y373-Y443 AromaticContact CD1-CE2 3.83Å; Y373-Y443 HydrophobicContact CD1-CE2 3.83Å; Y373-Y443 AromaticContact CD1-CG 3.5Å; Y373-Y443 HydrophobicContact CD1-CG 3.5Å; Y373-Y443 VanDerWaalsContact CD1-CG 3.5Å; Y373-Y443 AromaticContact CD1-CZ 3.92Å; Y373-Y443 AromaticContact CE1-CD1 3.96Å; Y373-Y443 HydrophobicContact CE1-CD1 3.96Å; Y373-Y443 HydrophobicContact CE1-CD2 4.15Å; Y373-Y443 AromaticContact CE1-CE1 3.66Å; Y373-Y443 HydrophobicContact CE1-CE1 3.66Å; Y373-Y443 AromaticContact CE1-CE2 3.88Å; Y373-Y443 HydrophobicContact CE1-CE2 3.88Å; Y373-Y443 HydrophobicContact CE1-CG 4.2Å; Y373-Y443 AromaticContact CE1-CZ 3.62Å; Y373-Y443 HydrophobicContact CG-CG 4.43Å; Y373-L539 HydrophobicContact CD2-CD2 3.84Å; Y373-L539 HydrophobicContact CE2-CD2 4.06Å; Y373-V542 HydrophobicContact CD1-CG2 4.23Å; Y373-V542 HydrophobicContact CD2-CG2 4.02Å; Y373-V542 HydrophobicContact CG-CG2 3.66Å |
| 374 | L | 97.5 | Very high | 96 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -52.8 | -35 | -177.1 | -85.9 | 170.2 | 0 | 0 | 0 | 114.6 | A370 E371 A376 L377 F393 W528 L530 I538 | A370-L374 WeakPolarHBondContact O-CG 3.27Å; A370-L374 PolarHBondContact O-N 3.08Å; E371-L374 HydrophobicContact CG-CD1 4.13Å; E371-L374 WeakPolarHBondContact O-CB 3.46Å; E371-L374 WeakPolarHBondContact O-CG 3.46Å; E371-L374 PolarHBondContact O-N 3.18Å; E371-L374 VanDerWaalsContact O-N 3.16Å; L374-A376 PolarHBondContact O-N 3.05Å; L374-L377 HydrophobicContact CD2-CD1 4.01Å; L374-L377 WeakPolarHBondContact O-CB 3.44Å; L374-L377 WeakPolarHBondContact O-CG 3.25Å; L374-L377 PolarHBondContact O-N 3.43Å; L374-F393 HydrophobicContact CD2-CE1 4.46Å; L374-F393 HydrophobicContact CD2-CZ 4.03Å; L374-W528 HydrophobicContact CD1-CD2 3.5Å; L374-W528 HydrophobicContact CD1-CE3 4.1Å; L374-W528 HydrophobicContact CD1-CG 3.74Å; L374-W528 HydrophobicContact CD1-CH2 4.37Å; L374-W528 HydrophobicContact CD1-CZ2 3.83Å; L374-L530 HydrophobicContact CD1-CD1 4.4Å; L374-L530 HydrophobicContact CD2-CD1 4.13Å; L374-L530 HydrophobicContact CD2-CD2 4.11Å; L374-L530 HydrophobicContact CG-CD1 4.37Å; L374-I538 HydrophobicContact CD2-CD1 3.72Å |
| 375 | G | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -63.2 | -21.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y373 L377 T378 Y443 | Y373-G375 PolarHBondContact O-N 3Å; Y373-G375 VanDerWaalsContact O-N 3.08Å; G375-L377 PolarHBondContact O-N 3Å; G375-L377 VanDerWaalsContact O-N 3.15Å; G375-T378 PolarHBondContact O-N 2.99Å; G375-T378 PolarHBondContact O-OG1 2.88Å; G375-Y443 VanDerWaalsContact CA-O 3.23Å; G375-Y443 WeakPolarHBondContact CA-O 3.34Å; G375-Y443 PolarHBondContact N-O 3.37Å |
| 376 | A | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -59.8 | -26.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y373 L374 T378 A379 W380 G442 C541 V542 | Y373-A376 WeakPolarHBondContact O-CB 3.43Å; Y373-A376 PolarHBondContact O-N 3.18Å; L374-A376 PolarHBondContact O-N 3.05Å; A376-T378 PolarHBondContact O-N 3.33Å; A376-A379 WeakPolarHBondContact O-CB 3.21Å; A376-A379 PolarHBondContact O-N 3.35Å; A376-W380 PolarHBondContact O-N 3.26Å; A376-G442 WeakPolarHBondContact CA-O 3.19Å; A376-C541 HydrophobicContact CB-CB 3.9Å; A376-V542 HydrophobicContact CB-CG2 3.88Å |
| 377 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -59.2 | -34.7 | 174 | -65.1 | 170.5 | 0 | 0 | 0 | 111.9 | L374 G375 A379 W380 W385 F388 F393 I538 | L374-L377 HydrophobicContact CD2-CD1 4.01Å; L374-L377 WeakPolarHBondContact O-CB 3.44Å; L374-L377 WeakPolarHBondContact O-CG 3.25Å; L374-L377 PolarHBondContact O-N 3.43Å; G375-L377 PolarHBondContact O-N 3Å; G375-L377 VanDerWaalsContact O-N 3.15Å; L377-A379 VanDerWaalsContact C-N 3.31Å; L377-W380 WeakPolarHBondContact O-CB 3.17Å; L377-W380 PolarHBondContact O-N 3.41Å; L377-W385 HydrophobicContact CB-CD2 4.13Å; L377-W385 HydrophobicContact CB-CE3 3.71Å; L377-W385 HydrophobicContact CB-CH2 4.16Å; L377-W385 HydrophobicContact CB-CZ3 3.75Å; L377-W385 HydrophobicContact CD1-CE3 4.47Å; L377-W385 HydrophobicContact CD1-CH2 4.21Å; L377-W385 HydrophobicContact CD1-CZ3 3.79Å; L377-W385 HydrophobicContact CD2-CE3 4.41Å; L377-W385 HydrophobicContact CD2-CZ3 4.45Å; L377-W385 HydrophobicContact CG-CE3 4.42Å; L377-W385 HydrophobicContact CG-CZ3 4.2Å; L377-W385 VanDerWaalsContact O-CG 3.31Å; L377-F388 HydrophobicContact CD1-CD1 4.2Å; L377-F388 HydrophobicContact CD1-CE1 3.81Å; L377-F388 HydrophobicContact CD2-CD1 3.62Å; L377-F388 HydrophobicContact CD2-CE1 3.55Å; L377-F388 HydrophobicContact CD2-CZ 4.46Å; L377-F388 HydrophobicContact CG-CE1 4.35Å; L377-F393 HydrophobicContact CD1-CE2 4.13Å; L377-F393 HydrophobicContact CD1-CZ 3.96Å; L377-I538 HydrophobicContact CD1-CD1 4.5Å; L377-I538 HydrophobicContact CD1-CG1 4.15Å; L377-I538 HydrophobicContact CD2-CG1 4.03Å; L377-I538 HydrophobicContact CG-CG1 4.16Å |
| 378 | T | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -80.1 | -14.3 | 177.3 | 70.6 | 0 | 0 | 0 | 0 | 113.4 | G375 A376 W380 W385 W446 F447 D448 | G375-T378 PolarHBondContact O-N 2.99Å; G375-T378 PolarHBondContact O-OG1 2.88Å; A376-T378 PolarHBondContact O-N 3.33Å; T378-W380 VanDerWaalsContact C-N 3.3Å; T378-W385 HydrophobicContact CG2-CZ2 4.41Å; T378-W446 HydrophobicContact CG2-CD2 3.6Å; T378-W446 VanDerWaalsContact CG2-CE2 3.48Å; T378-W446 HydrophobicContact CG2-CE3 3.96Å; T378-W446 HydrophobicContact CG2-CG 4.04Å; T378-W446 HydrophobicContact CG2-CH2 4.06Å; T378-W446 HydrophobicContact CG2-CZ2 3.71Å; T378-W446 HydrophobicContact CG2-CZ3 4.18Å; T378-F447 WeakPolarHBondContact OG1-CD2 3.5Å; T378-F447 PolarHBondContact OG1-N 2.77Å; T378-D448 HydrophobicContact CG2-CB 4.5Å |
| 379 | A | 97.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 2% | 0.017 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -86.2 | -2.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P243 M245 A376 L377 F447 A545 | P243-A379 VanDerWaalsContact CB-O 3.3Å; P243-A379 WeakPolarHBondContact CB-O 3.41Å; M245-A379 HydrophobicContact SD-CB 4.12Å; A376-A379 WeakPolarHBondContact O-CB 3.21Å; A376-A379 PolarHBondContact O-N 3.35Å; L377-A379 VanDerWaalsContact C-N 3.31Å; A379-F447 HydrophobicContact CB-CD2 3.82Å; A379-F447 HydrophobicContact CB-CE2 3.67Å; A379-A545 HydrophobicContact CB-CB 4.15Å |
| 380 | W | 97.7 | Very high | 97.6 | Very high | 20 Ų | 20 | 29.9 Ų | 29.9 | 8% | 0.076 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -86.7 | 173.9 | -176.1 | -154.6 | 23.6 | 0 | 0 | 0 | 112.8 | A376 L377 T378 R384 I537 C541 E544 | A376-W380 PolarHBondContact O-N 3.26Å; L377-W380 WeakPolarHBondContact O-CB 3.17Å; L377-W380 PolarHBondContact O-N 3.41Å; T378-W380 VanDerWaalsContact C-N 3.3Å; W380-R384 HydrophobicContact CD2-CB 3.87Å; W380-R384 HydrophobicContact CE3-CB 3.67Å; W380-R384 HydrophobicContact CH2-CB 3.91Å; W380-R384 HydrophobicContact CH2-CG 4.41Å; W380-R384 HydrophobicContact CZ2-CB 4.1Å; W380-R384 VanDerWaalsContact CZ2-CD 3.46Å; W380-R384 HydrophobicContact CZ2-CG 4.36Å; W380-R384 HydrophobicContact CZ3-CB 3.69Å; W380-I537 HydrophobicContact CH2-CG2 4.02Å; W380-I537 HydrophobicContact CZ3-CG2 3.92Å; W380-C541 VanDerWaalsContact CD2-SG 3.52Å; W380-C541 VanDerWaalsContact CE3-SG 3.54Å; W380-E544 VanDerWaalsContact CD1-OE2 3.27Å; W380-E544 PolarHBondContact NE1-OE2 3.18Å |
| 381 | E | 97.8 | Very high | 97.7 | Very high | 43 Ų | 43 | 35.6 Ų | 35.6 | 20% | 0.201 | 16% | 0.16 | C | C | . | . | trans | -58.7 | 137.5 | 169.6 | -171.3 | -69.5 | 123.7 | 0 | 0 | 109.5 | R241 S383 R384 W385 | R241-E381 VanDerWaalsContact CB-OE1 3.3Å; R241-E381 WeakPolarHBondContact CB-OE1 3.45Å; R241-E381 WeakPolarHBondContact O-CG 3.34Å; E381-S383 VanDerWaalsContact CD-N 3.27Å; E381-S383 PolarHBondContact O-N 3.05Å; E381-S383 WeakPolarHBondContact OE1-CB 3.5Å; E381-S383 PolarHBondContact OE1-N 3.37Å; E381-S383 PolarHBondContact OE1-OG 3.44Å; E381-S383 WeakPolarHBondContact OE2-CA 3.36Å; E381-S383 VanDerWaalsContact OE2-CB 3.31Å; E381-S383 WeakPolarHBondContact OE2-CB 3.46Å; E381-S383 PolarHBondContact OE2-N 3.24Å; E381-S383 VanDerWaalsContact OE2-N 3.1Å; E381-R384 PolarHBondContact O-N 2.9Å; E381-R384 WeakPolarHBondContact OE2-CG 3.31Å; E381-R384 PolarHBondContact OE2-N 2.71Å; E381-W385 PolarHBondContact O-N 2.88Å | ||
| 382 | R | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.3 | -41.1 | -165.2 | -56.8 | -53.4 | -62.8 | 167.4 | -5.4 | 113.3 | R241 D317 W385 A386 D448 | R241-R382 WeakPolarHBondContact O-CG 3.49Å; R241-R382 PolarHBondContact O-N 3.02Å; D317-R382 IonicContact OD2-CZ 3.23Å; D317-R382 VanDerWaalsContact OD2-CZ 3.32Å; D317-R382 IonicContact OD2-NE 3.58Å; D317-R382 PolarHBondContact OD2-NE 3.06Å; D317-R382 IonicContact OD2-NH2 3.21Å; D317-R382 PolarHBondContact OD2-NH2 3.17Å; R382-W385 PolarHBondContact O-N 3.05Å; R382-A386 WeakPolarHBondContact O-CB 3.04Å; R382-A386 PolarHBondContact O-N 2.88Å; R382-D448 IonicContact CZ-OD1 3.25Å; R382-D448 IonicContact NH1-OD1 2.96Å; R382-D448 PolarHBondContact NH1-OD1 3Å; R382-D448 IonicContact NH2-OD1 3.97Å; R382-D448 PolarHBondContact NH2-OD1 3.03Å; R382-D448 IonicContact NH2-OD2 3.24Å |
| 383 | S | 98.4 | Very high | 97.8 | Very high | 23 Ų | 23 | 33 Ų | 33 | 16% | 0.161 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.2 | -46.2 | 178.9 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | R241 V314 E381 W385 A386 E387 | R241-S383 WeakPolarHBondContact CD-OG 3.14Å; V314-S383 WeakPolarHBondContact O-CB 3.3Å; V314-S383 PolarHBondContact O-OG 2.89Å; E381-S383 VanDerWaalsContact CD-N 3.27Å; E381-S383 PolarHBondContact O-N 3.05Å; E381-S383 WeakPolarHBondContact OE1-CB 3.5Å; E381-S383 PolarHBondContact OE1-N 3.37Å; E381-S383 PolarHBondContact OE1-OG 3.44Å; E381-S383 WeakPolarHBondContact OE2-CA 3.36Å; E381-S383 VanDerWaalsContact OE2-CB 3.31Å; E381-S383 WeakPolarHBondContact OE2-CB 3.46Å; E381-S383 PolarHBondContact OE2-N 3.24Å; E381-S383 VanDerWaalsContact OE2-N 3.1Å; S383-W385 PolarHBondContact O-N 3.31Å; S383-A386 WeakPolarHBondContact O-CB 3.38Å; S383-A386 PolarHBondContact O-N 3.4Å; S383-A386 VanDerWaalsContact O-N 3.12Å; S383-E387 WeakPolarHBondContact O-CG 3.42Å; S383-E387 PolarHBondContact O-N 2.83Å |
| 384 | R | 98.1 | Very high | 97.7 | Very high | 111 Ų | 111 | 33.2 Ų | 33.2 | 42% | 0.419 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 176 | -70 | -178.9 | -177.7 | 179.4 | 0.9 | 112.4 | W380 E381 A386 E387 F388 E544 | W380-R384 HydrophobicContact CD2-CB 3.87Å; W380-R384 HydrophobicContact CE3-CB 3.67Å; W380-R384 HydrophobicContact CH2-CB 3.91Å; W380-R384 HydrophobicContact CH2-CG 4.41Å; W380-R384 HydrophobicContact CZ2-CB 4.1Å; W380-R384 VanDerWaalsContact CZ2-CD 3.46Å; W380-R384 HydrophobicContact CZ2-CG 4.36Å; W380-R384 HydrophobicContact CZ3-CB 3.69Å; E381-R384 PolarHBondContact O-N 2.9Å; E381-R384 WeakPolarHBondContact OE2-CG 3.31Å; E381-R384 PolarHBondContact OE2-N 2.71Å; R384-A386 VanDerWaalsContact C-N 3.32Å; R384-A386 PolarHBondContact O-N 3.5Å; R384-E387 PolarHBondContact O-N 3.06Å; R384-F388 WeakPolarHBondContact O-CB 3.12Å; R384-F388 PolarHBondContact O-N 3.12Å; R384-E544 IonicContact NH1-OE1 2.98Å; R384-E544 IonicContact NH1-OE2 3.21Å |
| 385 | W | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 172.7 | 174.5 | -150.3 | 0 | 0 | 0 | 111 | P312 L377 T378 E381 R382 S383 E387 F388 R389 F393 W446 D448 | P312-W385 HydrophobicContact CB-CB 4.46Å; P312-W385 HydrophobicContact CB-CG 4.04Å; P312-W385 VanDerWaalsContact CG-CD1 3.43Å; P312-W385 HydrophobicContact CG-CD2 4.23Å; P312-W385 HydrophobicContact CG-CG 3.94Å; L377-W385 HydrophobicContact CB-CD2 4.13Å; L377-W385 HydrophobicContact CB-CE3 3.71Å; L377-W385 HydrophobicContact CB-CH2 4.16Å; L377-W385 HydrophobicContact CB-CZ3 3.75Å; L377-W385 HydrophobicContact CD1-CE3 4.47Å; L377-W385 HydrophobicContact CD1-CH2 4.21Å; L377-W385 HydrophobicContact CD1-CZ3 3.79Å; L377-W385 HydrophobicContact CD2-CE3 4.41Å; L377-W385 HydrophobicContact CD2-CZ3 4.45Å; L377-W385 HydrophobicContact CG-CE3 4.42Å; L377-W385 HydrophobicContact CG-CZ3 4.2Å; L377-W385 VanDerWaalsContact O-CG 3.31Å; T378-W385 HydrophobicContact CG2-CZ2 4.41Å; E381-W385 PolarHBondContact O-N 2.88Å; R382-W385 PolarHBondContact O-N 3.05Å; S383-W385 PolarHBondContact O-N 3.31Å; W385-E387 PolarHBondContact O-N 3.28Å; W385-F388 HydrophobicContact CE3-CD1 4.25Å; W385-F388 HydrophobicContact CZ3-CD1 4.01Å; W385-F388 PolarHBondContact O-N 2.98Å; W385-R389 HydrophobicContact CD2-CB 4.28Å; W385-R389 HydrophobicContact CE3-CB 3.88Å; W385-R389 HydrophobicContact CH2-CB 3.84Å; W385-R389 HydrophobicContact CH2-CG 3.91Å; W385-R389 HydrophobicContact CZ2-CB 4.25Å; W385-R389 HydrophobicContact CZ2-CG 4.17Å; W385-R389 HydrophobicContact CZ3-CB 3.64Å; W385-R389 HydrophobicContact CZ3-CG 4.23Å; W385-R389 WeakPolarHBondContact O-CB 3.5Å; W385-R389 PolarHBondContact O-N 2.94Å; W385-F393 HydrophobicContact CH2-CD2 4.46Å; W385-F393 HydrophobicContact CZ3-CD2 4.36Å; W385-F393 HydrophobicContact CZ3-CE2 4.31Å; W385-W446 HydrophobicContact CZ2-CH2 4.3Å; W385-W446 HydrophobicContact CZ2-CZ2 4.12Å; W385-D448 PolarHBondContact NE1-OD2 3.37Å |
| 386 | A | 98.5 | Very high | 97.5 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P312 G313 V314 R382 S383 R384 R389 Q390 | P312-A386 HydrophobicContact CB-CB 3.98Å; G313-A386 WeakPolarHBondContact O-CB 3.39Å; V314-A386 HydrophobicContact CG2-CB 4.19Å; R382-A386 WeakPolarHBondContact O-CB 3.04Å; R382-A386 PolarHBondContact O-N 2.88Å; S383-A386 WeakPolarHBondContact O-CB 3.38Å; S383-A386 PolarHBondContact O-N 3.4Å; S383-A386 VanDerWaalsContact O-N 3.12Å; R384-A386 VanDerWaalsContact C-N 3.32Å; R384-A386 PolarHBondContact O-N 3.5Å; A386-R389 PolarHBondContact O-N 3.29Å; A386-Q390 WeakPolarHBondContact O-CB 3.3Å; A386-Q390 PolarHBondContact O-N 3.04Å |
| 387 | E | 98.4 | Very high | 97.4 | Very high | 101 Ų | 101 | 49.4 Ų | 49.4 | 47% | 0.472 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.6 | -49.9 | 178.8 | -70.7 | 169.8 | 180 | 0 | 0 | 111.1 | V314 S383 R384 W385 R389 Q390 Q391 | V314-E387 HydrophobicContact CG2-CG 4.05Å; S383-E387 WeakPolarHBondContact O-CG 3.42Å; S383-E387 PolarHBondContact O-N 2.83Å; R384-E387 PolarHBondContact O-N 3.06Å; W385-E387 PolarHBondContact O-N 3.28Å; E387-R389 VanDerWaalsContact C-N 3.34Å; E387-R389 PolarHBondContact O-N 2.86Å; E387-Q390 WeakPolarHBondContact O-CB 3.19Å; E387-Q390 PolarHBondContact O-N 2.67Å; E387-Q390 VanDerWaalsContact O-N 3.11Å; E387-Q391 PolarHBondContact O-N 2.8Å |
| 388 | F | 97.9 | Very high | 97.4 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 5% | 0.053 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 178.7 | -173.7 | -101.1 | 0 | 0 | 0 | 111.9 | L377 R384 W385 Q390 Q391 H392 F393 C534 I537 | L377-F388 HydrophobicContact CD1-CD1 4.2Å; L377-F388 HydrophobicContact CD1-CE1 3.81Å; L377-F388 HydrophobicContact CD2-CD1 3.62Å; L377-F388 HydrophobicContact CD2-CE1 3.55Å; L377-F388 HydrophobicContact CD2-CZ 4.46Å; L377-F388 HydrophobicContact CG-CE1 4.35Å; R384-F388 WeakPolarHBondContact O-CB 3.12Å; R384-F388 PolarHBondContact O-N 3.12Å; W385-F388 HydrophobicContact CE3-CD1 4.25Å; W385-F388 HydrophobicContact CZ3-CD1 4.01Å; W385-F388 PolarHBondContact O-N 2.98Å; F388-Q390 VanDerWaalsContact C-N 3.32Å; F388-Q390 PolarHBondContact O-N 3.29Å; F388-Q391 PolarHBondContact O-N 2.73Å; F388-H392 AromaticContact CD2-CD2 3.46Å; F388-H392 VanDerWaalsContact CD2-CD2 3.46Å; F388-H392 WeakPolarHBondContact CD2-CD2 3.43Å; F388-H392 AromaticContact CD2-NE2 3.89Å; F388-H392 AromaticContact CE2-CD2 3.3Å; F388-H392 WeakPolarHBondContact CE2-CD2 3.27Å; F388-H392 AromaticContact CE2-NE2 3.62Å; F388-H392 AromaticContact CZ-CD2 3.81Å; F388-H392 PolarHBondContact O-CD2 3.31Å; F388-H392 PolarHBondContact O-N 3.19Å; F388-F393 HydrophobicContact CD1-CE2 4.11Å; F388-F393 AromaticContact CE1-CE2 3.7Å; F388-F393 HydrophobicContact CE1-CE2 3.7Å; F388-C534 HydrophobicContact CZ-CB 3.99Å; F388-I537 HydrophobicContact CD2-CB 4.39Å; F388-I537 HydrophobicContact CD2-CG2 3.85Å; F388-I537 HydrophobicContact CE2-CB 3.82Å; F388-I537 HydrophobicContact CE2-CG1 4.07Å; F388-I537 HydrophobicContact CE2-CG2 3.71Å; F388-I537 HydrophobicContact CG-CG2 4.38Å; F388-I537 HydrophobicContact CZ-CB 4.22Å; F388-I537 HydrophobicContact CZ-CG2 4.11Å |
| 389 | R | 97.5 | Very high | 97.4 | Very high | 50 Ų | 50 | 55.5 Ų | 55.5 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 173.2 | -174 | -177.4 | 176.1 | -72.6 | -4.9 | 111.1 | P312 W385 A386 E387 F393 L402 E406 | P312-R389 VanDerWaalsContact CG-CD 3.49Å; W385-R389 HydrophobicContact CD2-CB 4.28Å; W385-R389 HydrophobicContact CE3-CB 3.88Å; W385-R389 HydrophobicContact CH2-CB 3.84Å; W385-R389 HydrophobicContact CH2-CG 3.91Å; W385-R389 HydrophobicContact CZ2-CB 4.25Å; W385-R389 HydrophobicContact CZ2-CG 4.17Å; W385-R389 HydrophobicContact CZ3-CB 3.64Å; W385-R389 HydrophobicContact CZ3-CG 4.23Å; W385-R389 WeakPolarHBondContact O-CB 3.5Å; W385-R389 PolarHBondContact O-N 2.94Å; A386-R389 PolarHBondContact O-N 3.29Å; E387-R389 VanDerWaalsContact C-N 3.34Å; E387-R389 PolarHBondContact O-N 2.86Å; R389-F393 HydrophobicContact CG-CB 4.16Å; R389-F393 CarbonylContact O-C 3.58Å; R389-F393 WeakPolarHBondContact O-CA 3.47Å; R389-F393 WeakPolarHBondContact O-CB 3.45Å; R389-F393 PolarHBondContact O-N 2.87Å; R389-L402 HydrophobicContact CG-CD2 4Å; R389-E406 IonicContact CZ-OE1 3.15Å; R389-E406 IonicContact NE-OE1 2.65Å; R389-E406 PolarHBondContact NE-OE1 3.09Å; R389-E406 VanDerWaalsContact NE-OE1 3.11Å; R389-E406 IonicContact NH2-OE1 2.69Å; R389-E406 PolarHBondContact NH2-OE1 2.87Å; R389-E406 IonicContact NH2-OE2 2.74Å; R389-E406 PolarHBondContact NH2-OE2 2.87Å |
| 390 | Q | 97.3 | Very high | 97.4 | Very high | 129 Ų | 129 | 58.4 Ų | 58.4 | 60% | 0.603 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 179.6 | -175.7 | 173.2 | 1.8 | 0 | 0 | 111.8 | A386 E387 F388 S394 | A386-Q390 WeakPolarHBondContact O-CB 3.3Å; A386-Q390 PolarHBondContact O-N 3.04Å; E387-Q390 WeakPolarHBondContact O-CB 3.19Å; E387-Q390 PolarHBondContact O-N 2.67Å; E387-Q390 VanDerWaalsContact O-N 3.11Å; F388-Q390 VanDerWaalsContact C-N 3.32Å; F388-Q390 PolarHBondContact O-N 3.29Å; Q390-S394 WeakPolarHBondContact CA-OG 3.13Å; Q390-S394 VanDerWaalsContact O-CB 3.24Å; Q390-S394 WeakPolarHBondContact O-CB 3.43Å; Q390-S394 PolarHBondContact O-OG 3.47Å |
| 391 | Q | 96.8 | Very high | 97.5 | Very high | 125 Ų | 125 | 57.8 Ų | 57.8 | 58% | 0.584 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69.9 | -46.3 | -179.1 | -173.4 | 176.6 | -14.1 | 0 | 0 | 112.5 | E387 F388 | E387-Q391 PolarHBondContact O-N 2.8Å; F388-Q391 PolarHBondContact O-N 2.73Å |
| 392 | H | 96.9 | Very high | 97.5 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 13% | 0.13 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -110.5 | -15.6 | -167 | -58.6 | -77.3 | 0 | 0 | 0 | 115.5 | F388 N398 E533 C534 | F388-H392 AromaticContact CD2-CD2 3.46Å; F388-H392 VanDerWaalsContact CD2-CD2 3.46Å; F388-H392 WeakPolarHBondContact CD2-CD2 3.43Å; F388-H392 AromaticContact CD2-NE2 3.89Å; F388-H392 AromaticContact CE2-CD2 3.3Å; F388-H392 WeakPolarHBondContact CE2-CD2 3.27Å; F388-H392 AromaticContact CE2-NE2 3.62Å; F388-H392 AromaticContact CZ-CD2 3.81Å; F388-H392 PolarHBondContact O-CD2 3.31Å; F388-H392 PolarHBondContact O-N 3.19Å; H392-N398 WeakPolarHBondContact O-CB 3.25Å; H392-N398 PolarHBondContact O-ND2 3.21Å; H392-E533 IonicContact CE1-OE2 3.67Å; H392-C534 PolarHBondContact ND1-SG 3.03Å |
| 393 | F | 97.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.013 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -117.7 | 6.7 | -175.5 | -63.8 | -102 | 0 | 0 | 0 | 114.2 | L374 L377 W385 F388 R389 R395 N398 K399 L402 W528 L530 | L374-F393 HydrophobicContact CD2-CE1 4.46Å; L374-F393 HydrophobicContact CD2-CZ 4.03Å; L377-F393 HydrophobicContact CD1-CE2 4.13Å; L377-F393 HydrophobicContact CD1-CZ 3.96Å; W385-F393 HydrophobicContact CH2-CD2 4.46Å; W385-F393 HydrophobicContact CZ3-CD2 4.36Å; W385-F393 HydrophobicContact CZ3-CE2 4.31Å; F388-F393 HydrophobicContact CD1-CE2 4.11Å; F388-F393 AromaticContact CE1-CE2 3.7Å; F388-F393 HydrophobicContact CE1-CE2 3.7Å; R389-F393 HydrophobicContact CG-CB 4.16Å; R389-F393 CarbonylContact O-C 3.58Å; R389-F393 WeakPolarHBondContact O-CA 3.47Å; R389-F393 WeakPolarHBondContact O-CB 3.45Å; R389-F393 PolarHBondContact O-N 2.87Å; F393-R395 PolarHBondContact O-N 3.4Å; F393-N398 HydrophobicContact CB-CB 4.45Å; F393-N398 HydrophobicContact CD1-CB 3.81Å; F393-N398 HydrophobicContact CE1-CB 4.34Å; F393-N398 HydrophobicContact CG-CB 4.24Å; F393-K399 VanDerWaalsContact O-CA 3.28Å; F393-K399 WeakPolarHBondContact O-CA 3.47Å; F393-K399 WeakPolarHBondContact O-CB 3.44Å; F393-L402 HydrophobicContact CB-CD2 3.56Å; F393-L402 HydrophobicContact CD1-CB 4.18Å; F393-L402 HydrophobicContact CD1-CD2 4.09Å; F393-L402 HydrophobicContact CG-CD2 4.11Å; F393-W528 HydrophobicContact CD1-CE3 4.43Å; F393-W528 HydrophobicContact CD1-CZ3 4.03Å; F393-W528 AromaticContact CE1-CE3 3.8Å; F393-W528 HydrophobicContact CE1-CE3 3.8Å; F393-W528 AromaticContact CE1-CZ3 3.61Å; F393-W528 HydrophobicContact CE1-CZ3 3.61Å; F393-L530 HydrophobicContact CZ-CD2 4.41Å |
| 394 | S | 94.9 | Very high | 97.5 | Very high | 42 Ų | 42 | 59.5 Ų | 59.5 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -79.9 | -12.6 | -179.5 | -68.7 | 0 | 0 | 0 | 0 | 114.8 | Q390 K399 | Q390-S394 WeakPolarHBondContact CA-OG 3.13Å; Q390-S394 VanDerWaalsContact O-CB 3.24Å; Q390-S394 WeakPolarHBondContact O-CB 3.43Å; Q390-S394 PolarHBondContact O-OG 3.47Å; S394-K399 VanDerWaalsContact O-CD 3.28Å; S394-K399 WeakPolarHBondContact O-CD 3.49Å; S394-K399 PolarHBondContact O-NZ 2.75Å |
| 395 | R | 94.6 | Very high | 97.5 | Very high | 213 Ų | 213 | 54.2 Ų | 54.2 | 80% | 0.804 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -144.4 | 168.1 | -172.1 | -58.2 | -177.5 | -175.6 | 177.9 | 1.5 | 112.4 | F393 K399 | F393-R395 PolarHBondContact O-N 3.4Å; R395-K399 PolarHBondContact O-N 3.44Å |
| 396 | G | 96.4 | Very high | 97.5 | Very high | 64 Ų | 64 | 54.5 Ų | 54.5 | 66% | 0.66 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | 60 | -150.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N398 K399 A400 | G396-N398 VanDerWaalsContact C-N 3.32Å; G396-N398 PolarHBondContact O-N 3.09Å; G396-K399 PolarHBondContact O-N 3.1Å; G396-A400 PolarHBondContact O-N 2.77Å |
| 397 | V | 97.5 | Very high | 97.5 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 39% | 0.388 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.4 | -37.5 | -177.2 | 71.9 | 0 | 0 | 0 | 0 | 112.4 | K399 A400 S401 K527 H529 | V397-K399 VanDerWaalsContact C-N 3.35Å; V397-K399 PolarHBondContact O-N 2.89Å; V397-A400 PolarHBondContact O-N 3.45Å; V397-A400 VanDerWaalsContact O-N 3.14Å; V397-S401 PolarHBondContact O-N 3.02Å; V397-S401 PolarHBondContact O-OG 2.77Å; V397-K527 HydrophobicContact CG2-CB 3.82Å; V397-K527 WeakPolarHBondContact CG2-O 3.19Å; V397-H529 HydrophobicContact CG1-CB 3.78Å |
| 398 | N | 97.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 178.2 | -69.6 | -8.2 | 0 | 0 | 0 | 111.7 | H392 F393 G396 A400 S401 L402 W528 H529 | H392-N398 WeakPolarHBondContact O-CB 3.25Å; H392-N398 PolarHBondContact O-ND2 3.21Å; F393-N398 HydrophobicContact CB-CB 4.45Å; F393-N398 HydrophobicContact CD1-CB 3.81Å; F393-N398 HydrophobicContact CE1-CB 4.34Å; F393-N398 HydrophobicContact CG-CB 4.24Å; G396-N398 VanDerWaalsContact C-N 3.32Å; G396-N398 PolarHBondContact O-N 3.09Å; N398-A400 VanDerWaalsContact C-N 3.34Å; N398-A400 PolarHBondContact O-N 2.7Å; N398-S401 PolarHBondContact O-N 3.36Å; N398-L402 WeakPolarHBondContact O-CB 3.39Å; N398-L402 PolarHBondContact O-N 3.22Å; N398-W528 WeakPolarHBondContact OD1-CA 3.37Å; N398-H529 PolarHBondContact ND2-O 3.4Å; N398-H529 PolarHBondContact OD1-N 3.49Å; N398-H529 PolarHBondContact OD1-O 2.99Å |
| 399 | K | 98.1 | Very high | 97.6 | Very high | 122 Ų | 122 | 49.2 Ų | 49.2 | 53% | 0.53 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 175.6 | -169.8 | -168.9 | -164.6 | 158.9 | 0 | 112 | F393 S394 R395 G396 V397 H403 | F393-K399 VanDerWaalsContact O-CA 3.28Å; F393-K399 WeakPolarHBondContact O-CA 3.47Å; F393-K399 WeakPolarHBondContact O-CB 3.44Å; S394-K399 VanDerWaalsContact O-CD 3.28Å; S394-K399 WeakPolarHBondContact O-CD 3.49Å; S394-K399 PolarHBondContact O-NZ 2.75Å; R395-K399 PolarHBondContact O-N 3.44Å; G396-K399 PolarHBondContact O-N 3.1Å; V397-K399 VanDerWaalsContact C-N 3.35Å; V397-K399 PolarHBondContact O-N 2.89Å; K399-H403 WeakPolarHBondContact O-CB 3.28Å; K399-H403 PolarHBondContact O-N 3.31Å |
| 400 | A | 98.1 | Very high | 97.6 | Very high | 63 Ų | 63 | 46.8 Ų | 46.8 | 52% | 0.521 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.5 | -45.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G396 V397 N398 H403 A404 | G396-A400 PolarHBondContact O-N 2.77Å; V397-A400 PolarHBondContact O-N 3.45Å; V397-A400 VanDerWaalsContact O-N 3.14Å; N398-A400 VanDerWaalsContact C-N 3.34Å; N398-A400 PolarHBondContact O-N 2.7Å; A400-H403 PolarHBondContact O-N 3.01Å; A400-A404 PolarHBondContact O-N 2.89Å |
| 401 | S | 98.5 | Very high | 97.7 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.2 | -45.1 | 177.1 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | V397 N398 H403 A404 I405 K527 | V397-S401 PolarHBondContact O-N 3.02Å; V397-S401 PolarHBondContact O-OG 2.77Å; N398-S401 PolarHBondContact O-N 3.36Å; S401-H403 PolarHBondContact O-N 3.44Å; S401-A404 WeakPolarHBondContact O-CB 3.49Å; S401-A404 PolarHBondContact O-N 3.44Å; S401-A404 VanDerWaalsContact O-N 3.07Å; S401-I405 PolarHBondContact O-N 2.93Å; S401-I405 VanDerWaalsContact O-N 3.13Å; S401-K527 WeakPolarHBondContact CB-O 3.41Å; S401-K527 PolarHBondContact OG-N 3.47Å; S401-K527 PolarHBondContact OG-O 3.24Å |
| 402 | L | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 174.7 | 178.9 | 61 | 0 | 0 | 0 | 111.5 | R389 F393 N398 A404 I405 E406 W446 W528 | R389-L402 HydrophobicContact CG-CD2 4Å; F393-L402 HydrophobicContact CB-CD2 3.56Å; F393-L402 HydrophobicContact CD1-CB 4.18Å; F393-L402 HydrophobicContact CD1-CD2 4.09Å; F393-L402 HydrophobicContact CG-CD2 4.11Å; N398-L402 WeakPolarHBondContact O-CB 3.39Å; N398-L402 PolarHBondContact O-N 3.22Å; L402-A404 PolarHBondContact O-N 3.25Å; L402-I405 PolarHBondContact O-N 2.99Å; L402-I405 VanDerWaalsContact O-N 3.08Å; L402-E406 HydrophobicContact CD1-CG 3.94Å; L402-E406 HydrophobicContact CG-CG 4.17Å; L402-E406 WeakPolarHBondContact CG-OE1 3.44Å; L402-E406 WeakPolarHBondContact O-CG 3.18Å; L402-E406 PolarHBondContact O-N 3.5Å; L402-W446 HydrophobicContact CD1-CH2 3.59Å; L402-W446 HydrophobicContact CD1-CZ2 3.35Å; L402-W528 HydrophobicContact CB-CZ3 4.47Å |
| 403 | H | 98.2 | Very high | 97.9 | Very high | 92 Ų | 92 | 33.4 Ų | 33.4 | 43% | 0.426 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.5 | -36 | 175 | 178.8 | -94.8 | 0 | 0 | 0 | 111.7 | W322 K399 A400 S401 S407 | W322-H403 AromaticContact NE1-NE2 3.65Å; K399-H403 WeakPolarHBondContact O-CB 3.28Å; K399-H403 PolarHBondContact O-N 3.31Å; A400-H403 PolarHBondContact O-N 3.01Å; S401-H403 PolarHBondContact O-N 3.44Å; H403-S407 PolarHBondContact CE1-OG 3.02Å; H403-S407 WeakPolarHBondContact O-CB 3.14Å; H403-S407 PolarHBondContact O-N 3.34Å; H403-S407 PolarHBondContact O-OG 3.19Å |
| 404 | A | 98.5 | Very high | 97.9 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 7% | 0.066 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -39.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H327 K338 A400 S401 L402 S408 L526 | H327-A404 PolarHBondContact CD2-O 3.44Å; H327-A404 PolarHBondContact NE2-O 2.9Å; K338-A404 HydrophobicContact CD-CB 4.17Å; A400-A404 PolarHBondContact O-N 2.89Å; S401-A404 WeakPolarHBondContact O-CB 3.49Å; S401-A404 PolarHBondContact O-N 3.44Å; S401-A404 VanDerWaalsContact O-N 3.07Å; L402-A404 PolarHBondContact O-N 3.25Å; A404-S408 PolarHBondContact O-N 3.42Å; A404-L526 HydrophobicContact CB-CD1 4.19Å; A404-L526 HydrophobicContact CB-CD2 3.87Å |
| 405 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.3 | -53.7 | 174.8 | -61.9 | 178.4 | 0 | 0 | 0 | 110.7 | A329 W336 S401 L402 S407 S408 I411 W446 L526 W528 | A329-I405 HydrophobicContact CB-CG1 4.31Å; A329-I405 HydrophobicContact CB-CG2 4.5Å; W336-I405 HydrophobicContact CB-CD1 4.48Å; W336-I405 HydrophobicContact CD2-CD1 3.68Å; W336-I405 HydrophobicContact CD2-CG1 4.5Å; W336-I405 HydrophobicContact CE3-CD1 3.71Å; W336-I405 HydrophobicContact CE3-CG1 4.09Å; W336-I405 HydrophobicContact CG-CD1 4.04Å; W336-I405 HydrophobicContact CZ3-CD1 4.25Å; W336-I405 HydrophobicContact CZ3-CG2 4.41Å; S401-I405 PolarHBondContact O-N 2.93Å; S401-I405 VanDerWaalsContact O-N 3.13Å; L402-I405 PolarHBondContact O-N 2.99Å; L402-I405 VanDerWaalsContact O-N 3.08Å; I405-S407 PolarHBondContact O-N 2.84Å; I405-S408 VanDerWaalsContact O-CB 3.27Å; I405-S408 WeakPolarHBondContact O-CB 3.37Å; I405-S408 PolarHBondContact O-N 2.93Å; I405-S408 PolarHBondContact O-OG 3.08Å; I405-I411 HydrophobicContact CG2-CD1 3.82Å; I405-W446 HydrophobicContact CD1-CE3 4.12Å; I405-W446 HydrophobicContact CD1-CH2 4.39Å; I405-W446 HydrophobicContact CD1-CZ3 3.94Å; I405-W446 HydrophobicContact CG2-CD2 3.64Å; I405-W446 HydrophobicContact CG2-CE3 4.06Å; I405-W446 HydrophobicContact CG2-CG 3.87Å; I405-W446 HydrophobicContact CG2-CZ2 4.42Å; I405-L526 HydrophobicContact CD1-CD1 4.17Å; I405-L526 HydrophobicContact CG1-CD1 3.69Å; I405-W528 HydrophobicContact CD1-CH2 3.77Å; I405-W528 HydrophobicContact CD1-CZ2 3.9Å |
| 406 | E | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.028 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -46.4 | -174.2 | -68 | 177.1 | 169.2 | 0 | 0 | 111.8 | C309 I311 W322 R389 L402 S408 K449 | C309-E406 HydrophobicContact CB-CB 4.29Å; I311-E406 HydrophobicContact CD1-CB 4.46Å; I311-E406 HydrophobicContact CD1-CG 4.1Å; W322-E406 HydrophobicContact CH2-CB 3.68Å; W322-E406 HydrophobicContact CZ2-CB 4.14Å; W322-E406 HydrophobicContact CZ3-CB 4.48Å; W322-E406 VanDerWaalsContact CZ3-O 3.25Å; W322-E406 WeakPolarHBondContact CZ3-O 3.27Å; R389-E406 IonicContact CZ-OE1 3.15Å; R389-E406 IonicContact NE-OE1 2.65Å; R389-E406 PolarHBondContact NE-OE1 3.09Å; R389-E406 VanDerWaalsContact NE-OE1 3.11Å; R389-E406 IonicContact NH2-OE1 2.69Å; R389-E406 PolarHBondContact NH2-OE1 2.87Å; R389-E406 IonicContact NH2-OE2 2.74Å; R389-E406 PolarHBondContact NH2-OE2 2.87Å; L402-E406 HydrophobicContact CD1-CG 3.94Å; L402-E406 HydrophobicContact CG-CG 4.17Å; L402-E406 WeakPolarHBondContact CG-OE1 3.44Å; L402-E406 WeakPolarHBondContact O-CG 3.18Å; L402-E406 PolarHBondContact O-N 3.5Å; E406-S408 VanDerWaalsContact C-N 3.27Å; E406-S408 PolarHBondContact O-N 2.63Å; E406-K449 PolarHBondContact O-NZ 2.96Å |
| 407 | S | 98.1 | Very high | 98.1 | Very high | 8 Ų | 8 | 25.8 Ų | 25.8 | 6% | 0.056 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 0.8 | -179.1 | 72.1 | 0 | 0 | 0 | 0 | 114.6 | S325 H327 H403 I405 | S325-S407 WeakPolarHBondContact CB-O 3.46Å; S325-S407 PolarHBondContact OG-O 2.69Å; H327-S407 PolarHBondContact CE1-OG 3.48Å; H403-S407 PolarHBondContact CE1-OG 3.02Å; H403-S407 WeakPolarHBondContact O-CB 3.14Å; H403-S407 PolarHBondContact O-N 3.34Å; H403-S407 PolarHBondContact O-OG 3.19Å; I405-S407 PolarHBondContact O-N 2.84Å |
| 408 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -60.9 | 159.4 | 174.6 | 66.1 | 0 | 0 | 0 | 0 | 112.1 | H327 A404 I405 E406 F410 K449 | H327-S408 WeakPolarHBondContact NE2-CA 3.44Å; A404-S408 PolarHBondContact O-N 3.42Å; I405-S408 VanDerWaalsContact O-CB 3.27Å; I405-S408 WeakPolarHBondContact O-CB 3.37Å; I405-S408 PolarHBondContact O-N 2.93Å; I405-S408 PolarHBondContact O-OG 3.08Å; E406-S408 VanDerWaalsContact C-N 3.27Å; E406-S408 PolarHBondContact O-N 2.63Å; S408-F410 PolarHBondContact OG-O 3.16Å; S408-K449 WeakPolarHBondContact O-CE 3.09Å; S408-K449 PolarHBondContact O-NZ 3.4Å; S408-K449 VanDerWaalsContact OG-CE 3.26Å; S408-K449 WeakPolarHBondContact OG-CE 3.06Å |
| 409 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -64.6 | -45.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F306 N307 H327 I328 | F306-A409 WeakPolarHBondContact CA-O 3.22Å; N307-A409 PolarHBondContact N-O 3.42Å; N307-A409 WeakPolarHBondContact OD1-CA 3.49Å; H327-A409 PolarHBondContact O-N 2.91Å; I328-A409 HydrophobicContact CG2-CB 4.2Å |
| 410 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -162.7 | 176.2 | 173.7 | 60.6 | -89 | 0 | 0 | 0 | 107.8 | T272 L276 F306 I328 A329 S408 F451 L453 | T272-F410 HydrophobicContact CG2-CZ 4.02Å; L276-F410 HydrophobicContact CD2-CE1 3.98Å; L276-F410 HydrophobicContact CG-CE1 4.33Å; F306-F410 AromaticContact CD1-CD1 3.91Å; F306-F410 HydrophobicContact CD1-CD1 3.91Å; F306-F410 AromaticContact CE1-CD1 3.93Å; F306-F410 HydrophobicContact CE1-CD1 3.93Å; F306-F410 HydrophobicContact CE1-CE1 4.37Å; I328-F410 HydrophobicContact CG2-CD1 3.91Å; I328-F410 HydrophobicContact CG2-CD2 4.33Å; I328-F410 HydrophobicContact CG2-CE1 3.64Å; I328-F410 HydrophobicContact CG2-CE2 4.07Å; I328-F410 HydrophobicContact CG2-CG 4.26Å; I328-F410 HydrophobicContact CG2-CZ 3.73Å; A329-F410 PolarHBondContact N-O 3.42Å; S408-F410 PolarHBondContact OG-O 3.16Å; F410-F451 HydrophobicContact CB-CD1 4.34Å; F410-F451 HydrophobicContact CB-CD2 4.04Å; F410-F451 HydrophobicContact CB-CE1 3.74Å; F410-F451 HydrophobicContact CB-CE2 3.36Å; F410-F451 HydrophobicContact CB-CG 4.48Å; F410-F451 HydrophobicContact CB-CZ 3.2Å; F410-F451 HydrophobicContact CD1-CE2 4.32Å; F410-F451 AromaticContact CD1-CZ 3.88Å; F410-F451 HydrophobicContact CD1-CZ 3.88Å; F410-F451 AromaticContact CD2-CE2 3.69Å; F410-F451 HydrophobicContact CD2-CE2 3.69Å; F410-F451 HydrophobicContact CD2-CZ 4.09Å; F410-F451 HydrophobicContact CG-CE1 4.43Å; F410-F451 AromaticContact CG-CE2 3.55Å; F410-F451 HydrophobicContact CG-CE2 3.55Å; F410-F451 AromaticContact CG-CZ 3.48Å; F410-F451 HydrophobicContact CG-CZ 3.48Å; F410-F451 VanDerWaalsContact CG-CZ 3.48Å; F410-L453 HydrophobicContact CD2-CB 4.33Å; F410-L453 HydrophobicContact CE2-CB 4.37Å; F410-L453 HydrophobicContact CE2-CD2 4.1Å | ||
| 411 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.5 | 176.7 | -69.1 | 170.3 | 0 | 0 | 0 | 109.8 | A329 W336 I405 V413 W446 K449 F451 N452 L453 | A329-I411 HydrophobicContact CB-CG1 3.99Å; A329-I411 WeakPolarHBondContact O-CA 3.07Å; W336-I411 HydrophobicContact CH2-CD1 4.48Å; W336-I411 HydrophobicContact CH2-CG2 4.4Å; W336-I411 HydrophobicContact CZ3-CD1 4.2Å; W336-I411 HydrophobicContact CZ3-CG2 4Å; I405-I411 HydrophobicContact CG2-CD1 3.82Å; I411-V413 HydrophobicContact CG2-CG2 4.09Å; I411-W446 HydrophobicContact CD1-CB 3.27Å; I411-W446 HydrophobicContact CD1-CG 3.81Å; I411-K449 HydrophobicContact CB-CG 4.41Å; I411-K449 HydrophobicContact CD1-CB 3.64Å; I411-K449 HydrophobicContact CD1-CD 4.06Å; I411-K449 HydrophobicContact CD1-CG 3.7Å; I411-K449 HydrophobicContact CG1-CB 4.33Å; I411-K449 HydrophobicContact CG1-CD 4.19Å; I411-K449 HydrophobicContact CG1-CG 3.85Å; I411-F451 PolarHBondContact N-O 2.85Å; I411-N452 WeakPolarHBondContact CG2-OD1 3.39Å; I411-N452 CarbonylContact O-C 3.59Å; I411-N452 WeakPolarHBondContact O-CA 3.46Å; I411-L453 PolarHBondContact O-N 3.27Å |
| 412 | L | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.7 | 168.8 | 173.9 | 68 | 0 | 0 | 0 | 108.4 | A268 I328 A329 V330 Y331 F357 L414 L453 I455 | A268-L412 HydrophobicContact CB-CD1 4.26Å; A268-L412 HydrophobicContact CB-CD2 4.25Å; I328-L412 HydrophobicContact CD1-CB 4.14Å; I328-L412 HydrophobicContact CD1-CD2 4.19Å; A329-L412 PolarHBondContact O-N 2.86Å; V330-L412 CarbonylContact C-O 3.59Å; V330-L412 VanDerWaalsContact CA-O 3.25Å; V330-L412 WeakPolarHBondContact CA-O 3.49Å; V330-L412 HydrophobicContact CG1-CD2 4.31Å; V330-L412 HydrophobicContact CG1-CG 4.45Å; V330-L412 HydrophobicContact CG2-CB 4.24Å; V330-L412 HydrophobicContact CG2-CD2 4.21Å; Y331-L412 PolarHBondContact N-O 3.43Å; F357-L412 HydrophobicContact CD1-CD2 4.13Å; F357-L412 HydrophobicContact CD2-CD2 4.27Å; F357-L412 HydrophobicContact CE1-CD2 3.6Å; F357-L412 HydrophobicContact CE2-CD2 3.72Å; F357-L412 HydrophobicContact CG-CD2 4.46Å; F357-L412 HydrophobicContact CZ-CD2 3.36Å; L412-L414 HydrophobicContact CD1-CD2 4.32Å; L412-L414 HydrophobicContact CD2-CD2 4.12Å; L412-L414 HydrophobicContact CG-CD2 4.15Å; L412-L453 CarbonylContact C-O 3.58Å; L412-L453 WeakPolarHBondContact CA-O 3.35Å; L412-L453 HydrophobicContact CD1-CD2 4.12Å; L412-L453 HydrophobicContact CD1-CG 4.18Å; L412-I455 HydrophobicContact CD1-CG1 3.68Å |
| 413 | V | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 122.2 | 172.3 | -176.4 | 0 | 0 | 0 | 0 | 107.6 | Y331 I411 N452 L453 I454 I455 | Y331-V413 HydrophobicContact CD1-CG1 4.02Å; I411-V413 HydrophobicContact CG2-CG2 4.09Å; V413-N452 HydrophobicContact CG2-CB 4.38Å; V413-L453 PolarHBondContact N-O 2.93Å; V413-I454 HydrophobicContact CB-CB 4.49Å; V413-I454 HydrophobicContact CB-CG1 4.21Å; V413-I454 HydrophobicContact CB-CG2 4.43Å; V413-I454 HydrophobicContact CG2-CG1 4.33Å; V413-I455 PolarHBondContact O-N 3.37Å |
| 414 | L | 98.7 | Very high | 93.7 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 94.7 | 168.8 | -58.2 | -180 | 0 | 0 | 0 | 107.5 | Q264 A268 V330 Y331 V332 F357 L361 L412 I455 | Q264-L414 HydrophobicContact CG-CD2 4.32Å; A268-L414 HydrophobicContact CB-CD2 3.64Å; V330-L414 HydrophobicContact CG1-CD1 4.19Å; V330-L414 HydrophobicContact CG1-CG 4.24Å; Y331-L414 PolarHBondContact O-N 3.13Å; V332-L414 HydrophobicContact CB-CB 4.13Å; V332-L414 HydrophobicContact CB-CD1 4.25Å; V332-L414 HydrophobicContact CG2-CB 4.02Å; V332-L414 HydrophobicContact CG2-CD1 4.14Å; F357-L414 HydrophobicContact CB-CD1 4.3Å; L361-L414 HydrophobicContact CD1-CD1 4.28Å; L361-L414 HydrophobicContact CD2-CB 4.13Å; L361-L414 HydrophobicContact CD2-CD1 4.14Å; L361-L414 HydrophobicContact CG-CD1 3.95Å; L412-L414 HydrophobicContact CD1-CD2 4.32Å; L412-L414 HydrophobicContact CD2-CD2 4.12Å; L412-L414 HydrophobicContact CG-CD2 4.15Å; L414-I455 HydrophobicContact CD2-CB 4.43Å |
| 415 | D | 97.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | trans | -77.4 | 140.8 | -175.6 | -151.5 | -54.7 | 0 | 0 | 0 | 110.2 | Q264 E417 F419 R445 I454 I455 K457 | Q264-D415 PolarHBondContact NE2-O 3.05Å; D415-E417 PolarHBondContact OD1-N 2.7Å; D415-E417 VanDerWaalsContact OD1-N 3.16Å; D415-F419 HydrophobicContact CB-CZ 4.12Å; D415-R445 IonicContact OD2-CZ 3.76Å; D415-R445 IonicContact OD2-NH1 2.71Å; D415-R445 IonicContact OD2-NH2 3.89Å; D415-R445 PolarHBondContact OD2-NH2 3.31Å; D415-I454 HydrophobicContact CB-CG2 4.01Å; D415-I455 PolarHBondContact N-O 3.23Å; D415-K457 PolarHBondContact O-N 2.92Å | ||
| 416 | D | 96 | Very high | 91.8 | Very high | 97 Ų | 97 | 41 Ų | 41 | 52% | 0.519 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -88.6 | -8.3 | -178.6 | 58.1 | -4.5 | 0 | 0 | 0 | 112.6 | K441 K457 | D416-K441 VanDerWaalsContact CG-NZ 3.28Å; D416-K441 IonicContact OD1-NZ 3.97Å; D416-K441 PolarHBondContact OD1-NZ 3.31Å; D416-K441 IonicContact OD2-NZ 2.77Å; D416-K441 PolarHBondContact OD2-NZ 3.41Å; D416-K457 WeakPolarHBondContact O-CD 3.23Å |
| 417 | E | 96 | Very high | 91.3 | Very high | 56 Ų | 56 | 42 Ų | 42 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -89.1 | 155.7 | 174.3 | -62 | -167.7 | -161.1 | 0 | 0 | 112.5 | D415 K432 K441 S456 K457 | D415-E417 PolarHBondContact OD1-N 2.7Å; D415-E417 VanDerWaalsContact OD1-N 3.16Å; E417-K432 WeakPolarHBondContact OE2-CE 3.47Å; E417-K432 IonicContact OE2-NZ 3.26Å; E417-K432 PolarHBondContact OE2-NZ 3.11Å; E417-K441 WeakPolarHBondContact OE1-CE 3.41Å; E417-K441 IonicContact OE1-NZ 2.56Å; E417-S456 VanDerWaalsContact O-CB 3.24Å; E417-S456 WeakPolarHBondContact O-CB 3.48Å; E417-K457 PolarHBondContact O-N 3.15Å |
| 418 | E | 95.4 | Very high | 91 | Very high | 98 Ų | 98 | 47.3 Ų | 47.3 | 46% | 0.458 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -92 | 138.9 | 171 | -64.8 | -177.8 | 178.9 | 0 | 0 | 110 | L420 K457 N458 | E418-L420 HydrophobicContact CB-CD2 4.45Å; E418-K457 HydrophobicContact CG-CB 4.03Å; E418-K457 HydrophobicContact CG-CD 4.26Å; E418-K457 HydrophobicContact CG-CG 4.43Å; E418-N458 HydrophobicContact CB-CB 4.24Å; E418-N458 HydrophobicContact CG-CB 3.96Å |
| 419 | F | 94.7 | Very high | 90.8 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 2% | 0.022 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -101.4 | 120.6 | 173.7 | -52.7 | -19.4 | 0 | 0 | 0 | 108.3 | D415 W433 V436 I454 S456 N458 K460 A462 | D415-F419 HydrophobicContact CB-CZ 4.12Å; F419-W433 HydrophobicContact CB-CD2 3.68Å; F419-W433 HydrophobicContact CB-CE3 4.1Å; F419-W433 HydrophobicContact CB-CG 3.97Å; F419-W433 HydrophobicContact CB-CH2 4.36Å; F419-W433 HydrophobicContact CB-CZ2 3.94Å; F419-W433 HydrophobicContact CB-CZ3 4.43Å; F419-W433 AromaticContact CD2-CD1 3.64Å; F419-W433 HydrophobicContact CD2-CD2 4.38Å; F419-W433 AromaticContact CD2-CE2 3.59Å; F419-W433 HydrophobicContact CD2-CG 4.41Å; F419-W433 HydrophobicContact CD2-CZ2 4Å; F419-W433 AromaticContact CD2-NE1 3.11Å; F419-W433 AromaticContact CE2-NE1 3.78Å; F419-W433 AromaticContact CG-CD1 3.74Å; F419-W433 HydrophobicContact CG-CD2 4.24Å; F419-W433 AromaticContact CG-CE2 3.89Å; F419-W433 HydrophobicContact CG-CG 4.16Å; F419-W433 HydrophobicContact CG-CZ2 4.44Å; F419-W433 AromaticContact CG-NE1 3.61Å; F419-V436 HydrophobicContact CE1-CB 4.23Å; F419-V436 HydrophobicContact CE1-CG1 3.52Å; F419-V436 HydrophobicContact CE1-CG2 4.41Å; F419-V436 HydrophobicContact CE2-CG1 4.49Å; F419-V436 HydrophobicContact CZ-CB 4.48Å; F419-V436 HydrophobicContact CZ-CG1 3.5Å; F419-I454 HydrophobicContact CE2-CG2 4.02Å; F419-I454 HydrophobicContact CZ-CG2 3.77Å; F419-S456 VanDerWaalsContact CD2-CB 3.46Å; F419-N458 PolarHBondContact N-OD1 2.95Å; F419-N458 PolarHBondContact O-ND2 3.35Å; F419-K460 HydrophobicContact CB-CB 3.91Å; F419-K460 HydrophobicContact CB-CG 4.45Å; F419-K460 HydrophobicContact CD2-CB 4.14Å; F419-K460 HydrophobicContact CG-CB 4.47Å; F419-A462 HydrophobicContact CE2-CB 4.06Å |
| 420 | L | 91 | Very high | 90.6 | Very high | 93 Ų | 93 | 48.6 Ų | 48.6 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | trans | -116.2 | 148.1 | -173.2 | -59.4 | 175.2 | 0 | 0 | 0 | 109.4 | E418 A429 | E418-L420 HydrophobicContact CB-CD2 4.45Å; L420-A429 HydrophobicContact CB-CB 4.09Å; L420-A429 CarbonylContact O-C 3.53Å; L420-A429 WeakPolarHBondContact O-CB 3.48Å | ||
| 421 | F | 87.1 | Confident | 90.4 | Very high | 53 Ų | 53 | 49.4 Ų | 49.4 | 23% | 0.232 | 25% | 0.254 | C | S | . | . | trans | -128.9 | 115.7 | 169.6 | 173.2 | -116.1 | 0 | 0 | 0 | 107.4 | L256 E423 Y427 L430 W433 V558 | L256-F421 HydrophobicContact CB-CD1 3.9Å; L256-F421 HydrophobicContact CB-CE1 4.01Å; L256-F421 HydrophobicContact CB-CG 4.32Å; L256-F421 HydrophobicContact CD1-CD1 4.34Å; L256-F421 HydrophobicContact CD1-CD2 3.96Å; L256-F421 HydrophobicContact CD1-CE1 4.11Å; L256-F421 HydrophobicContact CD1-CE2 3.72Å; L256-F421 HydrophobicContact CD1-CG 4.26Å; L256-F421 HydrophobicContact CD1-CZ 3.79Å; L256-F421 HydrophobicContact CD2-CB 4.26Å; L256-F421 HydrophobicContact CD2-CD1 4.5Å; L256-F421 HydrophobicContact CD2-CD2 4.21Å; L256-F421 HydrophobicContact CD2-CG 4.06Å; L256-F421 HydrophobicContact CG-CD1 4.48Å; L256-F421 HydrophobicContact CG-CG 4.45Å; F421-E423 HydrophobicContact CE1-CG 3.87Å; F421-E423 VanDerWaalsContact CE1-OE1 3.3Å; F421-E423 WeakPolarHBondContact CE1-OE1 3.36Å; F421-E423 HydrophobicContact CE2-CG 4.11Å; F421-E423 HydrophobicContact CZ-CG 3.4Å; F421-E423 VanDerWaalsContact CZ-CG 3.4Å; F421-E423 WeakPolarHBondContact CZ-OE1 3.47Å; F421-Y427 HydrophobicContact CE2-CD1 4.15Å; F421-Y427 HydrophobicContact CE2-CE1 4.25Å; F421-L430 HydrophobicContact CD2-CB 4.23Å; F421-L430 HydrophobicContact CD2-CD1 4.44Å; F421-L430 HydrophobicContact CD2-CD2 4.09Å; F421-L430 HydrophobicContact CD2-CG 4.47Å; F421-L430 HydrophobicContact CE2-CD2 4Å; F421-W433 HydrophobicContact CB-CZ3 4.4Å; F421-V558 HydrophobicContact CE2-CG2 4.09Å; F421-V558 HydrophobicContact CZ-CG2 4.25Å | ||
| 422 | D | 78.1 | Confident | 90.2 | Very high | 78 Ų | 78 | 54.8 Ų | 54.8 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | trans | -131.9 | 126.9 | 173.3 | -170.2 | -4.9 | 0 | 0 | 0 | 108.4 | V424 | D422-V424 VanDerWaalsContact C-N 3.3Å; D422-V424 VanDerWaalsContact OD1-CB 3.3Å; D422-V424 WeakPolarHBondContact OD1-CB 3.27Å; D422-V424 WeakPolarHBondContact OD1-CG2 3.49Å; D422-V424 PolarHBondContact OD1-N 2.58Å | ||
| 423 | E | 71.7 | Confident | 90.1 | Very high | 87 Ų | 87 | 54.9 Ų | 54.9 | 41% | 0.407 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -20.7 | 176.5 | -69.8 | 175.7 | -153.1 | 0 | 0 | 111.6 | F421 K560 | F421-E423 HydrophobicContact CE1-CG 3.87Å; F421-E423 VanDerWaalsContact CE1-OE1 3.3Å; F421-E423 WeakPolarHBondContact CE1-OE1 3.36Å; F421-E423 HydrophobicContact CE2-CG 4.11Å; F421-E423 HydrophobicContact CZ-CG 3.4Å; F421-E423 VanDerWaalsContact CZ-CG 3.4Å; F421-E423 WeakPolarHBondContact CZ-OE1 3.47Å; E423-K560 IonicContact OE1-NZ 3.64Å; E423-K560 PolarHBondContact OE1-NZ 3.39Å; E423-K560 IonicContact OE2-NZ 3.75Å; E423-K560 PolarHBondContact OE2-NZ 3.48Å |
| 424 | V | 74.5 | Confident | 90 | Very high | 132 Ų | 132 | 54.9 Ų | 54.9 | 80% | 0.8 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -31.9 | -175.9 | -177.1 | 0 | 0 | 0 | 0 | 112 | D422 D426 | D422-V424 VanDerWaalsContact C-N 3.3Å; D422-V424 VanDerWaalsContact OD1-CB 3.3Å; D422-V424 WeakPolarHBondContact OD1-CB 3.27Å; D422-V424 WeakPolarHBondContact OD1-CG2 3.49Å; D422-V424 PolarHBondContact OD1-N 2.58Å; V424-D426 PolarHBondContact O-N 2.97Å |
| 425 | D | 77.8 | Confident | 89.9 | Confident | 69 Ų | 69 | 56.8 Ų | 56.8 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 39.2 | -178.3 | -169.2 | 27.9 | 0 | 0 | 0 | 113.8 | Y427 K428 | D425-Y427 PolarHBondContact O-N 3.06Å; D425-K428 WeakPolarHBondContact O-CG 3.3Å; D425-K428 PolarHBondContact O-N 3.44Å; D425-K428 IonicContact OD1-NZ 2.93Å; D425-K428 PolarHBondContact OD1-NZ 3.5Å; D425-K428 WeakPolarHBondContact OD2-CB 3.28Å; D425-K428 IonicContact OD2-NZ 2.72Å |
| 426 | D | 79.6 | Confident | 89.8 | Confident | 68 Ų | 68 | 57.1 Ų | 57.1 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.1 | 44.8 | -179.3 | -170.8 | 46.9 | 0 | 0 | 0 | 113.5 | V424 K428 R759 R763 | V424-D426 PolarHBondContact O-N 2.97Å; D426-K428 VanDerWaalsContact C-N 3.29Å; D426-K428 PolarHBondContact O-N 2.88Å; D426-R759 VanDerWaalsContact O-CZ 3.3Å; D426-R759 PolarHBondContact O-NH1 2.78Å; D426-R759 PolarHBondContact O-NH2 2.81Å; D426-R759 IonicContact OD2-CZ 2.67Å; D426-R759 IonicContact OD2-NE 3.1Å; D426-R759 IonicContact OD2-NH2 2.56Å; D426-R759 PolarHBondContact OD2-NH2 2.9Å; D426-R763 IonicContact OD1-CZ 3.89Å; D426-R763 IonicContact OD1-NH1 3.38Å; D426-R763 PolarHBondContact OD1-NH1 3.4Å; D426-R763 IonicContact OD1-NH2 3.04Å; D426-R763 PolarHBondContact OD1-NH2 3.26Å |
| 427 | Y | 89 | Confident | 89.8 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 9.6 | 177.4 | -50.8 | -79.8 | 0 | 0 | 0 | 116.8 | F421 D425 A429 L430 D431 L556 M557 V558 | F421-Y427 HydrophobicContact CE2-CD1 4.15Å; F421-Y427 HydrophobicContact CE2-CE1 4.25Å; D425-Y427 PolarHBondContact O-N 3.06Å; Y427-A429 VanDerWaalsContact C-N 3.29Å; Y427-A429 PolarHBondContact O-N 2.91Å; Y427-L430 HydrophobicContact CD1-CD2 4.09Å; Y427-L430 CarbonylContact O-C 3.55Å; Y427-L430 WeakPolarHBondContact O-CA 3.43Å; Y427-L430 WeakPolarHBondContact O-CB 3.13Å; Y427-L430 PolarHBondContact O-N 2.68Å; Y427-D431 VanDerWaalsContact O-CG 3.27Å; Y427-D431 PolarHBondContact O-N 2.85Å; Y427-L556 WeakPolarHBondContact CB-O 3.27Å; Y427-M557 HydrophobicContact CE2-CG 4.38Å; Y427-V558 HydrophobicContact CD1-CG2 4.44Å; Y427-V558 HydrophobicContact CE1-CB 3.85Å; Y427-V558 HydrophobicContact CE1-CG2 4.04Å; Y427-V558 PolarHBondContact OH-O 3.44Å |
| 428 | K | 92 | Very high | 89.9 | Confident | 119 Ų | 119 | 49.9 Ų | 49.9 | 52% | 0.517 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.3 | -38.3 | -178.4 | -68.8 | -174.1 | -158.8 | 130.7 | 0 | 114.1 | D425 D426 L430 D431 K432 | D425-K428 WeakPolarHBondContact O-CG 3.3Å; D425-K428 PolarHBondContact O-N 3.44Å; D425-K428 IonicContact OD1-NZ 2.93Å; D425-K428 PolarHBondContact OD1-NZ 3.5Å; D425-K428 WeakPolarHBondContact OD2-CB 3.28Å; D425-K428 IonicContact OD2-NZ 2.72Å; D426-K428 VanDerWaalsContact C-N 3.29Å; D426-K428 PolarHBondContact O-N 2.88Å; K428-L430 VanDerWaalsContact C-N 3.28Å; K428-L430 PolarHBondContact O-N 2.98Å; K428-D431 WeakPolarHBondContact O-CB 3.42Å; K428-D431 PolarHBondContact O-N 3.34Å; K428-K432 PolarHBondContact O-N 2.99Å |
| 429 | A | 93.2 | Very high | 90 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 21% | 0.207 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -37.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | L420 Y427 K432 W433 | L420-A429 HydrophobicContact CB-CB 4.09Å; L420-A429 CarbonylContact O-C 3.53Å; L420-A429 WeakPolarHBondContact O-CB 3.48Å; Y427-A429 VanDerWaalsContact C-N 3.29Å; Y427-A429 PolarHBondContact O-N 2.91Å; A429-K432 PolarHBondContact O-N 2.59Å; A429-W433 PolarHBondContact O-N 2.92Å |
| 430 | L | 94.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -73.2 | -35.6 | 176.5 | -174.4 | 59.3 | 0 | 0 | 0 | 111.6 | L256 F421 Y427 K428 W433 A434 L556 V558 | L256-L430 HydrophobicContact CD1-CD2 4.33Å; L256-L430 HydrophobicContact CD2-CD1 4.03Å; F421-L430 HydrophobicContact CD2-CB 4.23Å; F421-L430 HydrophobicContact CD2-CD1 4.44Å; F421-L430 HydrophobicContact CD2-CD2 4.09Å; F421-L430 HydrophobicContact CD2-CG 4.47Å; F421-L430 HydrophobicContact CE2-CD2 4Å; Y427-L430 HydrophobicContact CD1-CD2 4.09Å; Y427-L430 CarbonylContact O-C 3.55Å; Y427-L430 WeakPolarHBondContact O-CA 3.43Å; Y427-L430 WeakPolarHBondContact O-CB 3.13Å; Y427-L430 PolarHBondContact O-N 2.68Å; K428-L430 VanDerWaalsContact C-N 3.28Å; K428-L430 PolarHBondContact O-N 2.98Å; L430-W433 HydrophobicContact CD1-CE3 3.98Å; L430-W433 WeakPolarHBondContact O-CB 3.48Å; L430-W433 PolarHBondContact O-N 3.19Å; L430-A434 PolarHBondContact O-N 3.46Å; L430-L556 HydrophobicContact CD1-CD2 3.95Å; L430-L556 HydrophobicContact CD2-CB 3.85Å; L430-L556 HydrophobicContact CD2-CD2 4.11Å; L430-L556 HydrophobicContact CG-CB 3.87Å; L430-L556 HydrophobicContact CG-CD2 3.57Å; L430-L556 HydrophobicContact CG-CG 4.37Å; L430-V558 HydrophobicContact CD2-CG2 3.83Å |
| 431 | D | 95.5 | Very high | 90.4 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 10% | 0.096 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 171.9 | -60.5 | -18.5 | 0 | 0 | 0 | 110.5 | Y427 K428 W433 A434 H435 M554 A555 L556 R759 | Y427-D431 VanDerWaalsContact O-CG 3.27Å; Y427-D431 PolarHBondContact O-N 2.85Å; K428-D431 WeakPolarHBondContact O-CB 3.42Å; K428-D431 PolarHBondContact O-N 3.34Å; D431-W433 VanDerWaalsContact C-N 3.32Å; D431-W433 PolarHBondContact O-N 2.98Å; D431-A434 WeakPolarHBondContact O-CB 3.33Å; D431-A434 PolarHBondContact O-N 3.08Å; D431-H435 PolarHBondContact O-CD2 3.02Å; D431-H435 PolarHBondContact O-N 3.36Å; D431-H435 VanDerWaalsContact O-N 3.09Å; D431-M554 WeakPolarHBondContact CB-O 3.29Å; D431-A555 WeakPolarHBondContact OD1-CA 3.28Å; D431-L556 PolarHBondContact OD1-N 3.33Å; D431-R759 IonicContact OD1-NH1 3.88Å; D431-R759 PolarHBondContact OD1-NH1 3.41Å; D431-R759 IonicContact OD2-CZ 3.29Å; D431-R759 IonicContact OD2-NH1 3.08Å; D431-R759 PolarHBondContact OD2-NH1 3.35Å; D431-R759 IonicContact OD2-NH2 3.53Å |
| 432 | K | 95.3 | Very high | 90.9 | Very high | 112 Ų | 112 | 41 Ų | 41 | 49% | 0.487 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.9 | -42.1 | 173.5 | -172.3 | -176.7 | 177 | -164.3 | 0 | 111.6 | E417 K428 A429 A434 H435 V436 | E417-K432 WeakPolarHBondContact OE2-CE 3.47Å; E417-K432 IonicContact OE2-NZ 3.26Å; E417-K432 PolarHBondContact OE2-NZ 3.11Å; K428-K432 PolarHBondContact O-N 2.99Å; A429-K432 PolarHBondContact O-N 2.59Å; K432-A434 VanDerWaalsContact C-N 3.3Å; K432-A434 PolarHBondContact O-N 3.31Å; K432-H435 WeakPolarHBondContact O-CB 3.4Å; K432-H435 PolarHBondContact O-N 2.93Å; K432-V436 WeakPolarHBondContact O-CG2 3.39Å; K432-V436 PolarHBondContact O-N 3.4Å |
| 433 | W | 95.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 1% | 0.011 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 176.8 | -168.1 | -2.9 | 0 | 0 | 0 | 111.9 | V253 D254 L256 F419 F421 A429 L430 D431 H435 V436 G437 K460 C461 | V253-W433 HydrophobicContact CB-CD2 4.42Å; V253-W433 HydrophobicContact CG1-CD2 4.38Å; V253-W433 HydrophobicContact CG1-CG 4.24Å; D254-W433 HydrophobicContact CB-CH2 3.66Å; D254-W433 HydrophobicContact CB-CZ2 3.58Å; L256-W433 HydrophobicContact CD2-CE3 4.43Å; L256-W433 HydrophobicContact CD2-CH2 4.39Å; L256-W433 HydrophobicContact CD2-CZ3 3.79Å; F419-W433 HydrophobicContact CB-CD2 3.68Å; F419-W433 HydrophobicContact CB-CE3 4.1Å; F419-W433 HydrophobicContact CB-CG 3.97Å; F419-W433 HydrophobicContact CB-CH2 4.36Å; F419-W433 HydrophobicContact CB-CZ2 3.94Å; F419-W433 HydrophobicContact CB-CZ3 4.43Å; F419-W433 AromaticContact CD2-CD1 3.64Å; F419-W433 HydrophobicContact CD2-CD2 4.38Å; F419-W433 AromaticContact CD2-CE2 3.59Å; F419-W433 HydrophobicContact CD2-CG 4.41Å; F419-W433 HydrophobicContact CD2-CZ2 4Å; F419-W433 AromaticContact CD2-NE1 3.11Å; F419-W433 AromaticContact CE2-NE1 3.78Å; F419-W433 AromaticContact CG-CD1 3.74Å; F419-W433 HydrophobicContact CG-CD2 4.24Å; F419-W433 AromaticContact CG-CE2 3.89Å; F419-W433 HydrophobicContact CG-CG 4.16Å; F419-W433 HydrophobicContact CG-CZ2 4.44Å; F419-W433 AromaticContact CG-NE1 3.61Å; F421-W433 HydrophobicContact CB-CZ3 4.4Å; A429-W433 PolarHBondContact O-N 2.92Å; L430-W433 HydrophobicContact CD1-CE3 3.98Å; L430-W433 WeakPolarHBondContact O-CB 3.48Å; L430-W433 PolarHBondContact O-N 3.19Å; D431-W433 VanDerWaalsContact C-N 3.32Å; D431-W433 PolarHBondContact O-N 2.98Å; W433-H435 PolarHBondContact O-N 3.43Å; W433-V436 PolarHBondContact O-N 3.03Å; W433-G437 PolarHBondContact O-N 3.25Å; W433-K460 HydrophobicContact CH2-CB 3.89Å; W433-K460 HydrophobicContact CH2-CD 3.98Å; W433-K460 HydrophobicContact CH2-CG 4Å; W433-K460 HydrophobicContact CZ2-CB 3.77Å; W433-K460 HydrophobicContact CZ2-CG 4.39Å; W433-C461 VanDerWaalsContact CZ2-O 3.25Å; W433-C461 WeakPolarHBondContact CZ2-O 3.31Å; W433-C461 PolarHBondContact NE1-O 2.56Å |
| 434 | A | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y251 L430 D431 K432 V436 G437 L438 M554 L556 | Y251-A434 HydrophobicContact CE2-CB 3.65Å; Y251-A434 VanDerWaalsContact OH-CB 3.25Å; Y251-A434 WeakPolarHBondContact OH-CB 3.14Å; L430-A434 PolarHBondContact O-N 3.46Å; D431-A434 WeakPolarHBondContact O-CB 3.33Å; D431-A434 PolarHBondContact O-N 3.08Å; K432-A434 VanDerWaalsContact C-N 3.3Å; K432-A434 PolarHBondContact O-N 3.31Å; A434-V436 VanDerWaalsContact C-N 3.32Å; A434-V436 PolarHBondContact O-N 3.38Å; A434-G437 PolarHBondContact O-N 3.18Å; A434-L438 WeakPolarHBondContact O-CB 3.03Å; A434-L438 PolarHBondContact O-N 3.04Å; A434-M554 HydrophobicContact CB-CB 4.15Å; A434-M554 HydrophobicContact CB-CE 4.18Å; A434-M554 HydrophobicContact CB-CG 4.37Å; A434-L556 HydrophobicContact CB-CD1 3.43Å; A434-L556 VanDerWaalsContact CB-CD1 3.43Å; A434-L556 HydrophobicContact CB-CD2 3.77Å; A434-L556 HydrophobicContact CB-CG 4.28Å |
| 435 | H | 96.5 | Very high | 94.1 | Very high | 44 Ų | 44 | 28.6 Ų | 28.6 | 20% | 0.204 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.6 | -47 | 172.1 | -80.2 | -72.9 | 0 | 0 | 0 | 111.7 | D431 K432 W433 G437 L438 H439 G440 V552 M554 | D431-H435 PolarHBondContact O-CD2 3.02Å; D431-H435 PolarHBondContact O-N 3.36Å; D431-H435 VanDerWaalsContact O-N 3.09Å; K432-H435 WeakPolarHBondContact O-CB 3.4Å; K432-H435 PolarHBondContact O-N 2.93Å; W433-H435 PolarHBondContact O-N 3.43Å; H435-G437 VanDerWaalsContact C-N 3.3Å; H435-G437 PolarHBondContact O-N 2.89Å; H435-L438 PolarHBondContact O-N 3.49Å; H435-H439 AromaticContact CE1-NE2 3.92Å; H435-H439 AromaticContact CG-CE1 3.9Å; H435-H439 AromaticContact CG-NE2 3.7Å; H435-H439 AromaticContact ND1-CE1 3.41Å; H435-H439 PolarHBondContact ND1-CE1 3.24Å; H435-H439 AromaticContact ND1-NE2 2.86Å; H435-H439 PolarHBondContact ND1-NE2 3.47Å; H435-H439 PolarHBondContact O-CE1 2.97Å; H435-H439 PolarHBondContact O-N 2.92Å; H435-H439 PolarHBondContact O-ND1 3.45Å; H435-G440 PolarHBondContact O-N 2.89Å; H435-V552 PolarHBondContact CE1-O 3.21Å; H435-V552 VanDerWaalsContact CE1-O 3.23Å; H435-M554 PolarHBondContact NE2-N 2.86Å |
| 436 | V | 96 | Very high | 95.1 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 8% | 0.079 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.6 | -36.4 | 179.4 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | F419 K432 W433 A434 G440 R445 | F419-V436 HydrophobicContact CE1-CB 4.23Å; F419-V436 HydrophobicContact CE1-CG1 3.52Å; F419-V436 HydrophobicContact CE1-CG2 4.41Å; F419-V436 HydrophobicContact CE2-CG1 4.49Å; F419-V436 HydrophobicContact CZ-CB 4.48Å; F419-V436 HydrophobicContact CZ-CG1 3.5Å; K432-V436 WeakPolarHBondContact O-CG2 3.39Å; K432-V436 PolarHBondContact O-N 3.4Å; W433-V436 PolarHBondContact O-N 3.03Å; A434-V436 VanDerWaalsContact C-N 3.32Å; A434-V436 PolarHBondContact O-N 3.38Å; V436-G440 WeakPolarHBondContact O-CA 3.24Å; V436-G440 PolarHBondContact O-N 3.09Å; V436-R445 VanDerWaalsContact CG1-NH2 3.28Å; V436-R445 PolarHBondContact O-NH2 3.27Å |
| 437 | G | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.3 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y251 W433 A434 H435 N464 | Y251-G437 VanDerWaalsContact CB-O 3.31Å; Y251-G437 WeakPolarHBondContact CB-O 3.45Å; W433-G437 PolarHBondContact O-N 3.25Å; A434-G437 PolarHBondContact O-N 3.18Å; H435-G437 VanDerWaalsContact C-N 3.3Å; H435-G437 PolarHBondContact O-N 2.89Å; G437-N464 WeakPolarHBondContact O-CB 3.31Å; G437-N464 PolarHBondContact O-ND2 3.3Å; G437-N464 VanDerWaalsContact O-ND2 3.12Å |
| 438 | L | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71.1 | -47.1 | -177.1 | -178 | 60.7 | 0 | 0 | 0 | 112.1 | M245 Y251 A434 H435 N464 V552 M554 | M245-L438 WeakPolarHBondContact O-CD1 3.49Å; Y251-L438 HydrophobicContact CD1-CB 3.71Å; Y251-L438 HydrophobicContact CD1-CD1 3.99Å; Y251-L438 HydrophobicContact CD1-CG 4.36Å; Y251-L438 HydrophobicContact CE1-CB 4.21Å; Y251-L438 HydrophobicContact CG-CB 4.25Å; A434-L438 WeakPolarHBondContact O-CB 3.03Å; A434-L438 PolarHBondContact O-N 3.04Å; H435-L438 PolarHBondContact O-N 3.49Å; L438-N464 PolarHBondContact O-ND2 2.8Å; L438-V552 HydrophobicContact CD2-CG1 4.38Å; L438-M554 HydrophobicContact CD2-SD 4.08Å |
| 439 | H | 97.2 | Very high | 96.8 | Very high | 9 Ų | 9 | 15.2 Ų | 15.2 | 4% | 0.042 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.1 | -8.6 | -170.8 | 54.1 | 69.1 | 0 | 0 | 0 | 115.5 | M245 H435 K441 G442 F447 M549 | M245-H439 HydrophobicContact CE-CB 4.26Å; M245-H439 HydrophobicContact CG-CB 3.23Å; M245-H439 HydrophobicContact SD-CB 3.45Å; M245-H439 WeakPolarHBondContact SD-CB 3.4Å; H435-H439 AromaticContact CE1-NE2 3.92Å; H435-H439 AromaticContact CG-CE1 3.9Å; H435-H439 AromaticContact CG-NE2 3.7Å; H435-H439 AromaticContact ND1-CE1 3.41Å; H435-H439 PolarHBondContact ND1-CE1 3.24Å; H435-H439 AromaticContact ND1-NE2 2.86Å; H435-H439 PolarHBondContact ND1-NE2 3.47Å; H435-H439 PolarHBondContact O-CE1 2.97Å; H435-H439 PolarHBondContact O-N 2.92Å; H435-H439 PolarHBondContact O-ND1 3.45Å; H439-K441 PolarHBondContact O-N 3.29Å; H439-G442 PolarHBondContact O-N 3.31Å; H439-F447 WeakPolarHBondContact O-CZ 3.44Å; H439-M549 HydrophobicContact CB-CG 4.09Å; H439-M549 HydrophobicContact CB-SD 4.28Å; H439-M549 WeakPolarHBondContact ND1-CG 3.25Å; H439-M549 PolarHBondContact ND1-SD 3.24Å |
| 440 | G | 96.7 | Very high | 97 | Very high | 9 Ų | 9 | 14.1 Ų | 14.1 | 9% | 0.093 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | -132.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | H435 V436 | H435-G440 PolarHBondContact O-N 2.89Å; V436-G440 WeakPolarHBondContact O-CA 3.24Å; V436-G440 PolarHBondContact O-N 3.09Å |
| 441 | K | 96.9 | Very high | 97.2 | Very high | 44 Ų | 44 | 14 Ų | 14 | 19% | 0.191 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 10.2 | 174.9 | -55 | 177.8 | -172.1 | -176.2 | 0 | 112.6 | D416 E417 H439 Y443 D444 M549 | D416-K441 VanDerWaalsContact CG-NZ 3.28Å; D416-K441 IonicContact OD1-NZ 3.97Å; D416-K441 PolarHBondContact OD1-NZ 3.31Å; D416-K441 IonicContact OD2-NZ 2.77Å; D416-K441 PolarHBondContact OD2-NZ 3.41Å; E417-K441 WeakPolarHBondContact OE1-CE 3.41Å; E417-K441 IonicContact OE1-NZ 2.56Å; H439-K441 PolarHBondContact O-N 3.29Å; K441-Y443 HydrophobicContact CB-CD1 4.09Å; K441-Y443 HydrophobicContact CB-CE1 3.61Å; K441-Y443 HydrophobicContact CB-CE2 4.13Å; K441-Y443 HydrophobicContact CD-CE2 4.33Å; K441-Y443 WeakPolarHBondContact CD-OH 3.44Å; K441-Y443 WeakPolarHBondContact O-CD1 3.31Å; K441-Y443 WeakPolarHBondContact O-CE1 3.36Å; K441-Y443 PolarHBondContact O-N 3.03Å; K441-D444 PolarHBondContact N-OD1 3.5Å; K441-M549 VanDerWaalsContact C-SD 3.51Å; K441-M549 WeakPolarHBondContact O-CE 3.12Å |
| 442 | G | 97.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.01 | 6% | 0.061 | C | C | . | . | S | Bend | trans | 79.6 | -8.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A376 H439 M549 | A376-G442 WeakPolarHBondContact CA-O 3.19Å; H439-G442 PolarHBondContact O-N 3.31Å; G442-M549 PolarHBondContact N-SD 3.49Å; G442-M549 VanDerWaalsContact N-SD 3.4Å |
| 443 | Y | 97.2 | Very high | 97.6 | Very high | 33 Ų | 33 | 7.8 Ų | 7.8 | 13% | 0.129 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -133.9 | -12.1 | -177.2 | 59.7 | -108.4 | 0 | 0 | 0 | 115.2 | Y373 G375 K441 R445 V542 | Y373-Y443 AromaticContact CD1-CD1 3.59Å; Y373-Y443 HydrophobicContact CD1-CD1 3.59Å; Y373-Y443 AromaticContact CD1-CD2 3.62Å; Y373-Y443 HydrophobicContact CD1-CD2 3.62Å; Y373-Y443 AromaticContact CD1-CE1 3.8Å; Y373-Y443 HydrophobicContact CD1-CE1 3.8Å; Y373-Y443 AromaticContact CD1-CE2 3.83Å; Y373-Y443 HydrophobicContact CD1-CE2 3.83Å; Y373-Y443 AromaticContact CD1-CG 3.5Å; Y373-Y443 HydrophobicContact CD1-CG 3.5Å; Y373-Y443 VanDerWaalsContact CD1-CG 3.5Å; Y373-Y443 AromaticContact CD1-CZ 3.92Å; Y373-Y443 AromaticContact CE1-CD1 3.96Å; Y373-Y443 HydrophobicContact CE1-CD1 3.96Å; Y373-Y443 HydrophobicContact CE1-CD2 4.15Å; Y373-Y443 AromaticContact CE1-CE1 3.66Å; Y373-Y443 HydrophobicContact CE1-CE1 3.66Å; Y373-Y443 AromaticContact CE1-CE2 3.88Å; Y373-Y443 HydrophobicContact CE1-CE2 3.88Å; Y373-Y443 HydrophobicContact CE1-CG 4.2Å; Y373-Y443 AromaticContact CE1-CZ 3.62Å; Y373-Y443 HydrophobicContact CG-CG 4.43Å; G375-Y443 VanDerWaalsContact CA-O 3.23Å; G375-Y443 WeakPolarHBondContact CA-O 3.34Å; G375-Y443 PolarHBondContact N-O 3.37Å; K441-Y443 HydrophobicContact CB-CD1 4.09Å; K441-Y443 HydrophobicContact CB-CE1 3.61Å; K441-Y443 HydrophobicContact CB-CE2 4.13Å; K441-Y443 HydrophobicContact CD-CE2 4.33Å; K441-Y443 WeakPolarHBondContact CD-OH 3.44Å; K441-Y443 WeakPolarHBondContact O-CD1 3.31Å; K441-Y443 WeakPolarHBondContact O-CE1 3.36Å; K441-Y443 PolarHBondContact O-N 3.03Å; Y443-R445 VanDerWaalsContact C-N 3.35Å; Y443-V542 HydrophobicContact CD1-CG1 4.43Å |
| 444 | D | 97.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 7.7 Ų | 7.7 | 2% | 0.021 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -100 | 17.8 | -176.3 | 63 | -19.1 | 0 | 0 | 0 | 112.1 | Y331 K441 | Y331-D444 HydrophobicContact CD1-CB 3.99Å; Y331-D444 HydrophobicContact CE1-CB 3.38Å; K441-D444 PolarHBondContact N-OD1 3.5Å |
| 445 | R | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -129.3 | 155.9 | 173.3 | -54.1 | -65.6 | 177.5 | -91.4 | 0.8 | 108.5 | D415 V436 Y443 F447 | D415-R445 IonicContact OD2-CZ 3.76Å; D415-R445 IonicContact OD2-NH1 2.71Å; D415-R445 IonicContact OD2-NH2 3.89Å; D415-R445 PolarHBondContact OD2-NH2 3.31Å; V436-R445 VanDerWaalsContact CG1-NH2 3.28Å; V436-R445 PolarHBondContact O-NH2 3.27Å; Y443-R445 VanDerWaalsContact C-N 3.35Å; R445-F447 HydrophobicContact CB-CD1 4.12Å; R445-F447 HydrophobicContact CB-CD2 4.43Å; R445-F447 HydrophobicContact CB-CE1 3.65Å; R445-F447 HydrophobicContact CB-CE2 3.97Å; R445-F447 HydrophobicContact CB-CG 4.5Å; R445-F447 HydrophobicContact CB-CZ 3.57Å; R445-F447 HydrophobicContact CG-CE1 3.95Å; R445-F447 HydrophobicContact CG-CZ 3.9Å |
| 446 | W | 98.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 5.6 Ų | 5.6 | 1% | 0.011 | 3% | 0.028 | C | C | . | . | trans | -112.1 | 94.9 | 165.9 | -162.4 | -88.4 | 0 | 0 | 0 | 108 | W336 T378 W385 L402 I405 I411 D448 K449 N452 | W336-W446 HydrophobicContact CH2-CB 3.99Å; W336-W446 HydrophobicContact CH2-CE3 4.04Å; W336-W446 AromaticContact CZ2-CE3 3.89Å; W336-W446 HydrophobicContact CZ2-CE3 3.89Å; T378-W446 HydrophobicContact CG2-CD2 3.6Å; T378-W446 VanDerWaalsContact CG2-CE2 3.48Å; T378-W446 HydrophobicContact CG2-CE3 3.96Å; T378-W446 HydrophobicContact CG2-CG 4.04Å; T378-W446 HydrophobicContact CG2-CH2 4.06Å; T378-W446 HydrophobicContact CG2-CZ2 3.71Å; T378-W446 HydrophobicContact CG2-CZ3 4.18Å; W385-W446 HydrophobicContact CZ2-CH2 4.3Å; W385-W446 HydrophobicContact CZ2-CZ2 4.12Å; L402-W446 HydrophobicContact CD1-CH2 3.59Å; L402-W446 HydrophobicContact CD1-CZ2 3.35Å; I405-W446 HydrophobicContact CD1-CE3 4.12Å; I405-W446 HydrophobicContact CD1-CH2 4.39Å; I405-W446 HydrophobicContact CD1-CZ3 3.94Å; I405-W446 HydrophobicContact CG2-CD2 3.64Å; I405-W446 HydrophobicContact CG2-CE3 4.06Å; I405-W446 HydrophobicContact CG2-CG 3.87Å; I405-W446 HydrophobicContact CG2-CZ2 4.42Å; I411-W446 HydrophobicContact CD1-CB 3.27Å; I411-W446 HydrophobicContact CD1-CG 3.81Å; W446-D448 PolarHBondContact O-N 2.92Å; W446-D448 VanDerWaalsContact O-N 3.16Å; W446-K449 HydrophobicContact CB-CB 4.48Å; W446-K449 WeakPolarHBondContact O-CB 3.18Å; W446-K449 PolarHBondContact O-N 2.88Å; W446-N452 PolarHBondContact N-OD1 3.15Å; W446-N452 VanDerWaalsContact N-OD1 3.14Å; W446-N452 PolarHBondContact O-ND2 3.28Å; W446-N452 PolarHBondContact O-OD1 3.27Å | ||
| 447 | F | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.7 | -169.7 | -62.8 | -70.8 | 0 | 0 | 0 | 113.4 | L244 M245 N249 T378 A379 H439 R445 K449 | L244-F447 HydrophobicContact CB-CB 4.2Å; M245-F447 HydrophobicContact CB-CD1 3.98Å; M245-F447 HydrophobicContact CB-CD2 4.14Å; M245-F447 HydrophobicContact CB-CE1 3.85Å; M245-F447 HydrophobicContact CB-CE2 4.03Å; M245-F447 HydrophobicContact CB-CG 4.11Å; M245-F447 HydrophobicContact CB-CZ 3.86Å; M245-F447 HydrophobicContact CG-CD1 4.26Å; M245-F447 HydrophobicContact CG-CE1 3.62Å; M245-F447 HydrophobicContact CG-CE2 4.03Å; M245-F447 HydrophobicContact CG-CZ 3.47Å; M245-F447 VanDerWaalsContact CG-CZ 3.47Å; M245-F447 HydrophobicContact SD-CE1 4.38Å; M245-F447 HydrophobicContact SD-CE2 3.9Å; M245-F447 HydrophobicContact SD-CZ 3.62Å; N249-F447 PolarHBondContact ND2-O 3.36Å; T378-F447 WeakPolarHBondContact OG1-CD2 3.5Å; T378-F447 PolarHBondContact OG1-N 2.77Å; A379-F447 HydrophobicContact CB-CD2 3.82Å; A379-F447 HydrophobicContact CB-CE2 3.67Å; H439-F447 WeakPolarHBondContact O-CZ 3.44Å; R445-F447 HydrophobicContact CB-CD1 4.12Å; R445-F447 HydrophobicContact CB-CD2 4.43Å; R445-F447 HydrophobicContact CB-CE1 3.65Å; R445-F447 HydrophobicContact CB-CE2 3.97Å; R445-F447 HydrophobicContact CB-CG 4.5Å; R445-F447 HydrophobicContact CB-CZ 3.57Å; R445-F447 HydrophobicContact CG-CE1 3.95Å; R445-F447 HydrophobicContact CG-CZ 3.9Å; F447-K449 VanDerWaalsContact C-N 3.28Å; F447-K449 PolarHBondContact O-N 3.14Å |
| 448 | D | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -19.1 | 174.5 | -70.7 | -13.6 | 0 | 0 | 0 | 113.4 | L244 C309 R310 T378 R382 W385 W446 | L244-D448 WeakPolarHBondContact CD1-OD1 3.38Å; C309-D448 CarbonylContact C-O 3.43Å; C309-D448 WeakPolarHBondContact CA-O 3.35Å; C309-D448 PolarHBondContact SG-O 3.17Å; C309-D448 VanDerWaalsContact SG-O 3.38Å; R310-D448 PolarHBondContact N-O 3.49Å; R310-D448 VanDerWaalsContact O-CB 3.25Å; R310-D448 WeakPolarHBondContact O-CB 3.34Å; R310-D448 VanDerWaalsContact O-CG 3.3Å; T378-D448 HydrophobicContact CG2-CB 4.5Å; R382-D448 IonicContact CZ-OD1 3.25Å; R382-D448 IonicContact NH1-OD1 2.96Å; R382-D448 PolarHBondContact NH1-OD1 3Å; R382-D448 IonicContact NH2-OD1 3.97Å; R382-D448 PolarHBondContact NH2-OD1 3.03Å; R382-D448 IonicContact NH2-OD2 3.24Å; W385-D448 PolarHBondContact NE1-OD2 3.37Å; W446-D448 PolarHBondContact O-N 2.92Å; W446-D448 VanDerWaalsContact O-N 3.16Å |
| 449 | K | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.056 | C | C | . | . | B | Isolated β-bridge | trans | -76.7 | 141.4 | -175 | -168.6 | 69.2 | -171.3 | 156.9 | 0 | 110.2 | T308 E406 S408 I411 W446 F447 F451 E466 | T308-K449 WeakPolarHBondContact O-CE 3.35Å; T308-K449 PolarHBondContact O-NZ 3.02Å; E406-K449 PolarHBondContact O-NZ 2.96Å; S408-K449 WeakPolarHBondContact O-CE 3.09Å; S408-K449 PolarHBondContact O-NZ 3.4Å; S408-K449 VanDerWaalsContact OG-CE 3.26Å; S408-K449 WeakPolarHBondContact OG-CE 3.06Å; I411-K449 HydrophobicContact CB-CG 4.41Å; I411-K449 HydrophobicContact CD1-CB 3.64Å; I411-K449 HydrophobicContact CD1-CD 4.06Å; I411-K449 HydrophobicContact CD1-CG 3.7Å; I411-K449 HydrophobicContact CG1-CB 4.33Å; I411-K449 HydrophobicContact CG1-CD 4.19Å; I411-K449 HydrophobicContact CG1-CG 3.85Å; W446-K449 HydrophobicContact CB-CB 4.48Å; W446-K449 WeakPolarHBondContact O-CB 3.18Å; W446-K449 PolarHBondContact O-N 2.88Å; F447-K449 VanDerWaalsContact C-N 3.28Å; F447-K449 PolarHBondContact O-N 3.14Å; K449-F451 WeakPolarHBondContact CG-O 3.29Å; K449-F451 PolarHBondContact O-N 2.96Å; K449-E466 VanDerWaalsContact O-CB 3.26Å; K449-E466 WeakPolarHBondContact O-CB 3.49Å |
| 450 | S | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.007 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -40.1 | -47.5 | 172.2 | 32.3 | 0 | 0 | 0 | 0 | 112.8 | T308 A465 E466 W469 | T308-S450 WeakPolarHBondContact O-CB 3.4Å; T308-S450 PolarHBondContact O-N 3.45Å; T308-S450 PolarHBondContact O-OG 3.39Å; S450-A465 WeakPolarHBondContact O-CA 3.29Å; S450-A465 WeakPolarHBondContact O-CB 3.39Å; S450-E466 PolarHBondContact O-N 3.5Å; S450-E466 VanDerWaalsContact O-N 3.15Å; S450-W469 PolarHBondContact O-NE1 2.72Å |
| 451 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 157.1 | 162.8 | 67.6 | -88 | 0 | 0 | 0 | 113.7 | A305 F306 F410 I411 K449 L453 L463 N464 A465 I475 Y478 | A305-F451 WeakPolarHBondContact O-CD1 3.46Å; A305-F451 VanDerWaalsContact O-CE1 3.29Å; A305-F451 WeakPolarHBondContact O-CE1 3.39Å; F306-F451 AromaticContact CD1-CE1 3.91Å; F306-F451 HydrophobicContact CD1-CE1 3.91Å; F306-F451 AromaticContact CD1-CZ 3.98Å; F306-F451 HydrophobicContact CD1-CZ 3.98Å; F306-F451 AromaticContact CE1-CE1 3.81Å; F306-F451 HydrophobicContact CE1-CE1 3.81Å; F306-F451 AromaticContact CE1-CZ 3.57Å; F306-F451 HydrophobicContact CE1-CZ 3.57Å; F306-F451 HydrophobicContact CZ-CE1 4.29Å; F306-F451 HydrophobicContact CZ-CZ 4.23Å; F410-F451 HydrophobicContact CB-CD1 4.34Å; F410-F451 HydrophobicContact CB-CD2 4.04Å; F410-F451 HydrophobicContact CB-CE1 3.74Å; F410-F451 HydrophobicContact CB-CE2 3.36Å; F410-F451 HydrophobicContact CB-CG 4.48Å; F410-F451 HydrophobicContact CB-CZ 3.2Å; F410-F451 HydrophobicContact CD1-CE2 4.32Å; F410-F451 AromaticContact CD1-CZ 3.88Å; F410-F451 HydrophobicContact CD1-CZ 3.88Å; F410-F451 AromaticContact CD2-CE2 3.69Å; F410-F451 HydrophobicContact CD2-CE2 3.69Å; F410-F451 HydrophobicContact CD2-CZ 4.09Å; F410-F451 HydrophobicContact CG-CE1 4.43Å; F410-F451 AromaticContact CG-CE2 3.55Å; F410-F451 HydrophobicContact CG-CE2 3.55Å; F410-F451 AromaticContact CG-CZ 3.48Å; F410-F451 HydrophobicContact CG-CZ 3.48Å; F410-F451 VanDerWaalsContact CG-CZ 3.48Å; I411-F451 PolarHBondContact N-O 2.85Å; K449-F451 WeakPolarHBondContact CG-O 3.29Å; K449-F451 PolarHBondContact O-N 2.96Å; F451-L453 HydrophobicContact CE2-CB 4.32Å; F451-L463 HydrophobicContact CB-CD1 3.89Å; F451-L463 HydrophobicContact CD2-CD1 3.72Å; F451-L463 HydrophobicContact CG-CD1 4.08Å; F451-N464 CarbonylContact C-O 3.6Å; F451-N464 WeakPolarHBondContact CA-O 3.4Å; F451-N464 WeakPolarHBondContact CB-O 3.34Å; F451-A465 HydrophobicContact CB-CB 3.84Å; F451-I475 HydrophobicContact CB-CD1 4.03Å; F451-I475 HydrophobicContact CD1-CD1 3.93Å; F451-I475 HydrophobicContact CG-CD1 4.06Å; F451-Y478 AromaticContact CD2-CE1 3.95Å; F451-Y478 HydrophobicContact CD2-CE1 3.95Å; F451-Y478 HydrophobicContact CE1-CE1 4.34Å; F451-Y478 AromaticContact CE2-CE1 3.71Å; F451-Y478 HydrophobicContact CE2-CE1 3.71Å; F451-Y478 HydrophobicContact CE2-CE2 4.36Å; F451-Y478 AromaticContact CE2-CZ 3.45Å; F451-Y478 VanDerWaalsContact CE2-CZ 3.45Å; F451-Y478 WeakPolarHBondContact CE2-OH 3.07Å; F451-Y478 HydrophobicContact CG-CE1 4.38Å; F451-Y478 AromaticContact CZ-CE1 3.89Å; F451-Y478 HydrophobicContact CZ-CE1 3.89Å; F451-Y478 AromaticContact CZ-CE2 3.93Å; F451-Y478 HydrophobicContact CZ-CE2 3.93Å; F451-Y478 AromaticContact CZ-CZ 3.46Å; F451-Y478 VanDerWaalsContact CZ-CZ 3.46Å; F451-Y478 WeakPolarHBondContact CZ-OH 3.26Å |
| 452 | N | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.1 | 167.4 | -53.6 | -92.9 | 0 | 0 | 0 | 108.1 | I411 V413 W446 N464 | I411-N452 WeakPolarHBondContact CG2-OD1 3.39Å; I411-N452 CarbonylContact O-C 3.59Å; I411-N452 WeakPolarHBondContact O-CA 3.46Å; V413-N452 HydrophobicContact CG2-CB 4.38Å; W446-N452 PolarHBondContact N-OD1 3.15Å; W446-N452 VanDerWaalsContact N-OD1 3.14Å; W446-N452 PolarHBondContact O-ND2 3.28Å; W446-N452 PolarHBondContact O-OD1 3.27Å; N452-N464 HydrophobicContact CB-CB 4.17Å; N452-N464 PolarHBondContact N-O 2.74Å; N452-N464 PolarHBondContact ND2-OD1 3.13Å; N452-N464 PolarHBondContact O-N 3.15Å |
| 453 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 119.5 | 169.1 | 173.2 | 64.3 | 0 | 0 | 0 | 108.2 | M271 F410 I411 L412 V413 F451 I455 F479 | M271-L453 HydrophobicContact CB-CD2 3.88Å; M271-L453 HydrophobicContact CE-CD1 4.09Å; F410-L453 HydrophobicContact CD2-CB 4.33Å; F410-L453 HydrophobicContact CE2-CB 4.37Å; F410-L453 HydrophobicContact CE2-CD2 4.1Å; I411-L453 PolarHBondContact O-N 3.27Å; L412-L453 CarbonylContact C-O 3.58Å; L412-L453 WeakPolarHBondContact CA-O 3.35Å; L412-L453 HydrophobicContact CD1-CD2 4.12Å; L412-L453 HydrophobicContact CD1-CG 4.18Å; V413-L453 PolarHBondContact N-O 2.93Å; F451-L453 HydrophobicContact CE2-CB 4.32Å; L453-I455 HydrophobicContact CD1-CD1 4.05Å; L453-I455 HydrophobicContact CD2-CD1 4.42Å; L453-I455 HydrophobicContact CG-CD1 4.04Å; L453-F479 HydrophobicContact CD1-CE2 4.43Å |
| 454 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.8 | -172.8 | -56.1 | 151.2 | 0 | 0 | 0 | 108 | V413 D415 F419 C461 A462 N464 | V413-I454 HydrophobicContact CB-CB 4.49Å; V413-I454 HydrophobicContact CB-CG1 4.21Å; V413-I454 HydrophobicContact CB-CG2 4.43Å; V413-I454 HydrophobicContact CG2-CG1 4.33Å; D415-I454 HydrophobicContact CB-CG2 4.01Å; F419-I454 HydrophobicContact CE2-CG2 4.02Å; F419-I454 HydrophobicContact CZ-CG2 3.77Å; I454-C461 CarbonylContact O-C 3.57Å; I454-C461 WeakPolarHBondContact O-CA 3.32Å; I454-C461 VanDerWaalsContact O-CB 3.26Å; I454-C461 WeakPolarHBondContact O-CB 3.1Å; I454-A462 HydrophobicContact CB-CB 4.13Å; I454-A462 HydrophobicContact CD1-CB 4.05Å; I454-A462 PolarHBondContact N-O 3.04Å; I454-A462 PolarHBondContact O-N 3.04Å; I454-N464 HydrophobicContact CD1-CB 4.25Å |
| 455 | I | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 119.2 | 178.3 | -48.3 | -65.3 | 0 | 0 | 0 | 108.1 | Q264 R267 A268 M271 L412 V413 L414 D415 L453 K460 C461 | Q264-I455 HydrophobicContact CG-CG2 4.02Å; Q264-I455 PolarHBondContact NE2-O 2.95Å; R267-I455 HydrophobicContact CB-CG2 4.03Å; R267-I455 HydrophobicContact CG-CD1 4.33Å; R267-I455 HydrophobicContact CG-CG2 3.96Å; A268-I455 HydrophobicContact CB-CB 4.31Å; A268-I455 HydrophobicContact CB-CG1 3.91Å; A268-I455 HydrophobicContact CB-CG2 4.29Å; M271-I455 HydrophobicContact CB-CD1 4.21Å; M271-I455 HydrophobicContact CG-CD1 4.18Å; L412-I455 HydrophobicContact CD1-CG1 3.68Å; V413-I455 PolarHBondContact O-N 3.37Å; L414-I455 HydrophobicContact CD2-CB 4.43Å; D415-I455 PolarHBondContact N-O 3.23Å; L453-I455 HydrophobicContact CD1-CD1 4.05Å; L453-I455 HydrophobicContact CD2-CD1 4.42Å; L453-I455 HydrophobicContact CG-CD1 4.04Å; I455-K460 WeakPolarHBondContact CA-O 3.5Å; I455-C461 HydrophobicContact CD1-CB 3.64Å |
| 456 | S | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | trans | -73 | 165.4 | 178.9 | 63 | 0 | 0 | 0 | 0 | 112.5 | Q264 E417 F419 N458 G459 K460 | Q264-S456 VanDerWaalsContact CG-O 3.27Å; Q264-S456 WeakPolarHBondContact CG-O 3.4Å; E417-S456 VanDerWaalsContact O-CB 3.24Å; E417-S456 WeakPolarHBondContact O-CB 3.48Å; F419-S456 VanDerWaalsContact CD2-CB 3.46Å; S456-N458 WeakPolarHBondContact CB-OD1 3.48Å; S456-N458 PolarHBondContact O-N 2.9Å; S456-N458 PolarHBondContact OG-OD1 2.63Å; S456-G459 PolarHBondContact O-N 2.98Å; S456-G459 VanDerWaalsContact O-N 3.07Å; S456-G459 PolarHBondContact OG-N 2.82Å; S456-K460 PolarHBondContact N-O 3.3Å; S456-K460 WeakPolarHBondContact OG-CA 3.43Å; S456-K460 WeakPolarHBondContact OG-CB 3.49Å; S456-K460 PolarHBondContact OG-N 3.27Å; S456-K460 PolarHBondContact OG-O 3.1Å | ||
| 457 | K | 97.2 | Very high | 97.6 | Very high | 118 Ų | 118 | 10 Ų | 10 | 51% | 0.513 | 5% | 0.046 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -35 | 174.9 | -174.1 | -179.1 | 178.1 | -170.5 | 0 | 113.1 | D415 D416 E417 E418 | D415-K457 PolarHBondContact O-N 2.92Å; D416-K457 WeakPolarHBondContact O-CD 3.23Å; E417-K457 PolarHBondContact O-N 3.15Å; E418-K457 HydrophobicContact CG-CB 4.03Å; E418-K457 HydrophobicContact CG-CD 4.26Å; E418-K457 HydrophobicContact CG-CG 4.43Å |
| 458 | N | 95.4 | Very high | 97.4 | Very high | 25 Ų | 25 | 10 Ų | 10 | 13% | 0.134 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 12.5 | 179.5 | 68.4 | -26 | 0 | 0 | 0 | 114.8 | E418 F419 S456 K460 | E418-N458 HydrophobicContact CB-CB 4.24Å; E418-N458 HydrophobicContact CG-CB 3.96Å; F419-N458 PolarHBondContact N-OD1 2.95Å; F419-N458 PolarHBondContact O-ND2 3.35Å; S456-N458 WeakPolarHBondContact CB-OD1 3.48Å; S456-N458 PolarHBondContact O-N 2.9Å; S456-N458 PolarHBondContact OG-OD1 2.63Å; N458-K460 PolarHBondContact O-N 3.35Å |
| 459 | G | 95.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 2% | 0.021 | 5% | 0.046 | C | C | . | . | S | Bend | trans | 80.3 | 9.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R267 S456 | R267-G459 WeakPolarHBondContact CD-O 3.43Å; R267-G459 WeakPolarHBondContact CG-O 3.45Å; R267-G459 PolarHBondContact NE-O 3.18Å; S456-G459 PolarHBondContact O-N 2.98Å; S456-G459 VanDerWaalsContact O-N 3.07Å; S456-G459 PolarHBondContact OG-N 2.82Å |
| 460 | K | 95.4 | Very high | 97.2 | Very high | 13 Ų | 13 | 10.2 Ų | 10.2 | 6% | 0.057 | 5% | 0.048 | C | C | . | . | trans | -80 | 162.1 | 165.3 | -65.7 | -61.7 | -169.1 | 177.6 | 0 | 110.2 | Y258 D259 F419 W433 I455 S456 N458 | Y258-K460 PolarHBondContact O-NZ 3.22Å; D259-K460 WeakPolarHBondContact OD1-CE 3.28Å; D259-K460 IonicContact OD1-NZ 3.64Å; D259-K460 PolarHBondContact OD1-NZ 2.78Å; D259-K460 IonicContact OD2-NZ 2.94Å; F419-K460 HydrophobicContact CB-CB 3.91Å; F419-K460 HydrophobicContact CB-CG 4.45Å; F419-K460 HydrophobicContact CD2-CB 4.14Å; F419-K460 HydrophobicContact CG-CB 4.47Å; W433-K460 HydrophobicContact CH2-CB 3.89Å; W433-K460 HydrophobicContact CH2-CD 3.98Å; W433-K460 HydrophobicContact CH2-CG 4Å; W433-K460 HydrophobicContact CZ2-CB 3.77Å; W433-K460 HydrophobicContact CZ2-CG 4.39Å; I455-K460 WeakPolarHBondContact CA-O 3.5Å; S456-K460 PolarHBondContact N-O 3.3Å; S456-K460 WeakPolarHBondContact OG-CA 3.43Å; S456-K460 WeakPolarHBondContact OG-CB 3.49Å; S456-K460 PolarHBondContact OG-N 3.27Å; S456-K460 PolarHBondContact OG-O 3.1Å; N458-K460 PolarHBondContact O-N 3.35Å | ||
| 461 | C | 96.6 | Very high | 97 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 154.7 | 177.7 | 72.2 | 0 | 0 | 0 | 0 | 115 | D254 W433 I454 I455 F479 | D254-C461 WeakPolarHBondContact CB-O 3.43Å; D254-C461 PolarHBondContact N-O 3.1Å; D254-C461 VanDerWaalsContact N-O 3.12Å; D254-C461 PolarHBondContact OD2-N 2.98Å; D254-C461 PolarHBondContact OD2-SG 2.7Å; W433-C461 VanDerWaalsContact CZ2-O 3.25Å; W433-C461 WeakPolarHBondContact CZ2-O 3.31Å; W433-C461 PolarHBondContact NE1-O 2.56Å; I454-C461 CarbonylContact O-C 3.57Å; I454-C461 WeakPolarHBondContact O-CA 3.32Å; I454-C461 VanDerWaalsContact O-CB 3.26Å; I454-C461 WeakPolarHBondContact O-CB 3.1Å; I455-C461 HydrophobicContact CD1-CB 3.64Å; C461-F479 VanDerWaalsContact SG-CZ 3.59Å |
| 462 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 169.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G252 F419 I454 | G252-A462 CarbonylContact O-C 3.54Å; G252-A462 WeakPolarHBondContact O-CA 3.44Å; F419-A462 HydrophobicContact CE2-CB 4.06Å; I454-A462 HydrophobicContact CB-CB 4.13Å; I454-A462 HydrophobicContact CD1-CB 4.05Å; I454-A462 PolarHBondContact N-O 3.04Å; I454-A462 PolarHBondContact O-N 3.04Å |
| 463 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138 | 175.6 | -179.4 | 78 | 0 | 0 | 0 | 108.8 | Y250 Y251 G252 F451 I475 Y478 F479 | Y250-L463 HydrophobicContact CE1-CD2 3.94Å; Y250-L463 VanDerWaalsContact OH-CD2 3.23Å; Y250-L463 WeakPolarHBondContact OH-CD2 3.23Å; Y251-L463 CarbonylContact C-O 3.59Å; Y251-L463 WeakPolarHBondContact CA-O 3.37Å; Y251-L463 WeakPolarHBondContact CB-O 3.02Å; G252-L463 PolarHBondContact N-O 3.07Å; G252-L463 PolarHBondContact O-N 3.49Å; F451-L463 HydrophobicContact CB-CD1 3.89Å; F451-L463 HydrophobicContact CD2-CD1 3.72Å; F451-L463 HydrophobicContact CG-CD1 4.08Å; L463-I475 HydrophobicContact CD2-CD1 4.16Å; L463-I475 HydrophobicContact CD2-CG1 3.55Å; L463-Y478 HydrophobicContact CD1-CD1 4.5Å; L463-Y478 HydrophobicContact CD1-CE1 3.86Å; L463-F479 HydrophobicContact CB-CD1 4.38Å; L463-F479 HydrophobicContact CB-CD2 4.19Å; L463-F479 HydrophobicContact CB-CE1 4.26Å; L463-F479 HydrophobicContact CB-CE2 4.1Å; L463-F479 HydrophobicContact CB-CG 4.35Å; L463-F479 HydrophobicContact CB-CZ 4.14Å; L463-F479 HydrophobicContact CD2-CB 4.15Å; L463-F479 HydrophobicContact CD2-CG 4.18Å |
| 464 | N | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133.9 | 161.9 | -178.7 | -93.3 | 0 | 0 | 0 | 108.4 | N249 Y250 G437 L438 F451 N452 I454 | N249-N464 PolarHBondContact ND2-OD1 2.98Å; Y250-N464 CarbonylContact O-C 3.57Å; G437-N464 WeakPolarHBondContact O-CB 3.31Å; G437-N464 PolarHBondContact O-ND2 3.3Å; G437-N464 VanDerWaalsContact O-ND2 3.12Å; L438-N464 PolarHBondContact O-ND2 2.8Å; F451-N464 CarbonylContact C-O 3.6Å; F451-N464 WeakPolarHBondContact CA-O 3.4Å; F451-N464 WeakPolarHBondContact CB-O 3.34Å; N452-N464 HydrophobicContact CB-CB 4.17Å; N452-N464 PolarHBondContact N-O 2.74Å; N452-N464 PolarHBondContact ND2-OD1 3.13Å; N452-N464 PolarHBondContact O-N 3.15Å; I454-N464 HydrophobicContact CD1-CB 4.25Å |
| 465 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 137.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N249 Y250 S450 F451 I475 | N249-A465 WeakPolarHBondContact CA-O 3.48Å; N249-A465 WeakPolarHBondContact CB-O 3.46Å; Y250-A465 HydrophobicContact CD1-CB 3.69Å; Y250-A465 HydrophobicContact CE1-CB 3.58Å; Y250-A465 PolarHBondContact N-O 3.39Å; Y250-A465 PolarHBondContact O-N 3.41Å; S450-A465 WeakPolarHBondContact O-CA 3.29Å; S450-A465 WeakPolarHBondContact O-CB 3.39Å; F451-A465 HydrophobicContact CB-CB 3.84Å; A465-I475 HydrophobicContact CB-CD1 4.32Å; A465-I475 HydrophobicContact CB-CG1 3.81Å |
| 466 | E | 97.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 1% | 0.014 | 7% | 0.072 | C | C | . | . | trans | -71.6 | 138.3 | 171.1 | -164.4 | -72.5 | 134.2 | 0 | 0 | 109.3 | L244 R310 K449 S450 S468 W469 | L244-E466 HydrophobicContact CD1-CG 4.37Å; R310-E466 HydrophobicContact CB-CG 4.17Å; R310-E466 WeakPolarHBondContact CD-OE1 3.29Å; R310-E466 IonicContact NH1-OE1 2.61Å; K449-E466 VanDerWaalsContact O-CB 3.26Å; K449-E466 WeakPolarHBondContact O-CB 3.49Å; S450-E466 PolarHBondContact O-N 3.5Å; S450-E466 VanDerWaalsContact O-N 3.15Å; E466-S468 VanDerWaalsContact CD-N 3.3Å; E466-S468 WeakPolarHBondContact OE1-CB 3.33Å; E466-S468 PolarHBondContact OE1-N 2.89Å; E466-S468 PolarHBondContact OE1-OG 3.48Å; E466-S468 PolarHBondContact OE2-N 2.8Å; E466-S468 VanDerWaalsContact OE2-N 3.14Å; E466-S468 PolarHBondContact OE2-OG 3.37Å; E466-W469 PolarHBondContact O-NE1 2.91Å | ||
| 467 | H | 94.5 | Very high | 96.1 | Very high | 49 Ų | 49 | 13.9 Ų | 13.9 | 23% | 0.227 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -99.2 | -16.8 | -163.1 | -159.2 | -17.8 | 0 | 0 | 0 | 114.1 | Y237 S248 W469 A470 R609 | Y237-H467 HydrophobicContact CD1-CB 4.31Å; Y237-H467 HydrophobicContact CE1-CB 3.82Å; Y237-H467 AromaticContact CE1-CG 3.77Å; Y237-H467 PolarHBondContact OH-CE1 2.9Å; S248-H467 VanDerWaalsContact O-CB 3.23Å; S248-H467 WeakPolarHBondContact O-CB 3.39Å; H467-W469 VanDerWaalsContact C-N 3.31Å; H467-W469 PolarHBondContact O-N 3.06Å; H467-A470 PolarHBondContact CE1-O 3.39Å; H467-A470 PolarHBondContact ND1-O 2.96Å; H467-A470 PolarHBondContact O-N 3.1Å; H467-R609 PolarHBondContact O-NH2 3.22Å |
| 468 | S | 95.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -37.7 | -173.1 | 69.1 | 0 | 0 | 0 | 0 | 113.4 | Y237 L319 E466 R609 | Y237-S468 VanDerWaalsContact CB-CB 3.44Å; L319-S468 WeakPolarHBondContact CD1-OG 3.34Å; L319-S468 VanDerWaalsContact CD2-OG 3.3Å; L319-S468 WeakPolarHBondContact CD2-OG 3.41Å; L319-S468 WeakPolarHBondContact CG-OG 3.15Å; E466-S468 VanDerWaalsContact CD-N 3.3Å; E466-S468 WeakPolarHBondContact OE1-CB 3.33Å; E466-S468 PolarHBondContact OE1-N 2.89Å; E466-S468 PolarHBondContact OE1-OG 3.48Å; E466-S468 PolarHBondContact OE2-N 2.8Å; E466-S468 VanDerWaalsContact OE2-N 3.14Å; E466-S468 PolarHBondContact OE2-OG 3.37Å; S468-R609 PolarHBondContact O-NH2 3.5Å |
| 469 | W | 95.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 0% | 0.004 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -23.5 | -173.5 | 66.4 | -87.8 | 0 | 0 | 0 | 114.9 | R304 A305 T308 L319 S450 E466 H467 I474 I475 | R304-W469 HydrophobicContact CB-CB 3.98Å; R304-W469 HydrophobicContact CB-CD2 4.5Å; R304-W469 HydrophobicContact CB-CE3 4.06Å; R304-W469 HydrophobicContact CB-CG 4.49Å; R304-W469 PolarHBondContact NH2-O 3.43Å; A305-W469 HydrophobicContact CB-CE3 4.44Å; A305-W469 HydrophobicContact CB-CH2 3.72Å; A305-W469 HydrophobicContact CB-CZ3 3.56Å; T308-W469 HydrophobicContact CG2-CB 4.45Å; L319-W469 HydrophobicContact CD1-CB 3.86Å; L319-W469 HydrophobicContact CD2-CB 4.23Å; S450-W469 PolarHBondContact O-NE1 2.72Å; E466-W469 PolarHBondContact O-NE1 2.91Å; H467-W469 VanDerWaalsContact C-N 3.31Å; H467-W469 PolarHBondContact O-N 3.06Å; W469-I474 HydrophobicContact CH2-CG2 4.06Å; W469-I474 HydrophobicContact CZ3-CG2 3.78Å; W469-I475 HydrophobicContact CH2-CB 4.13Å; W469-I475 HydrophobicContact CH2-CD1 4.19Å; W469-I475 HydrophobicContact CZ2-CB 4.19Å; W469-I475 HydrophobicContact CZ2-CD1 4.03Å; W469-I475 HydrophobicContact CZ2-CG1 4.43Å |
| 470 | A | 95.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 7.5 Ų | 7.5 | 3% | 0.025 | 4% | 0.044 | C | C | . | . | trans | -156.5 | 167.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q301 H467 I474 R609 | Q301-A470 HydrophobicContact CB-CB 3.96Å; Q301-A470 VanDerWaalsContact OE1-CA 3.25Å; H467-A470 PolarHBondContact CE1-O 3.39Å; H467-A470 PolarHBondContact ND1-O 2.96Å; H467-A470 PolarHBondContact O-N 3.1Å; A470-I474 HydrophobicContact CB-CB 3.88Å; A470-I474 HydrophobicContact CB-CG1 4.02Å; A470-I474 HydrophobicContact CB-CG2 4.06Å; A470-R609 PolarHBondContact O-NH2 3.47Å | ||
| 471 | D | 94.8 | Very high | 96.2 | Very high | 10 Ų | 10 | 7.4 Ų | 7.4 | 5% | 0.053 | 4% | 0.044 | C | C | . | . | trans | -87.6 | 154.6 | 173.3 | -60.5 | -43.5 | 0 | 0 | 0 | 109.1 | Q301 P473 I474 R609 T610 | Q301-D471 PolarHBondContact NE2-OD2 3.36Å; D471-P473 VanDerWaalsContact C-N 3.3Å; D471-P473 VanDerWaalsContact O-N 3.09Å; D471-I474 WeakPolarHBondContact O-CB 3.34Å; D471-I474 PolarHBondContact O-N 3.38Å; D471-R609 IonicContact OD1-CZ 2.78Å; D471-R609 IonicContact OD1-NH1 3.19Å; D471-R609 PolarHBondContact OD1-NH1 3.01Å; D471-R609 IonicContact OD1-NH2 3.96Å; D471-R609 WeakPolarHBondContact OD2-CA 3.44Å; D471-R609 IonicContact OD2-NH1 2.74Å; D471-R609 PolarHBondContact OD2-NH1 3.36Å; D471-T610 PolarHBondContact OD1-N 3.03Å; D471-T610 PolarHBondContact OD2-N 3.34Å | ||
| 472 | G | 93.2 | Very high | 96.1 | Very high | 20 Ų | 20 | 7.4 Ų | 7.4 | 21% | 0.206 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -43.5 | -43.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | I474 I475 S476 | G472-I474 PolarHBondContact O-N 3.04Å; G472-I474 VanDerWaalsContact O-N 3.12Å; G472-I475 VanDerWaalsContact O-CG2 3.22Å; G472-I475 WeakPolarHBondContact O-CG2 3.4Å; G472-I475 PolarHBondContact O-N 3.15Å; G472-S476 WeakPolarHBondContact O-CB 3.39Å; G472-S476 PolarHBondContact O-N 3.04Å; G472-S476 PolarHBondContact O-OG 2.95Å |
| 473 | P | 94.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 7.6 Ų | 7.6 | 18% | 0.175 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -55 | -31.3 | 178.1 | -31.8 | 38.4 | 0 | 0 | 0 | 115.8 | D471 S476 H477 P698 Q701 | D471-P473 VanDerWaalsContact C-N 3.3Å; D471-P473 VanDerWaalsContact O-N 3.09Å; P473-S476 WeakPolarHBondContact CA-OG 3.47Å; P473-S476 PolarHBondContact O-OG 3.39Å; P473-S476 VanDerWaalsContact O-OG 3.12Å; P473-H477 WeakPolarHBondContact O-CB 3.5Å; P473-H477 PolarHBondContact O-N 3.21Å; P473-P698 HydrophobicContact CB-CG 3.74Å; P473-P698 HydrophobicContact CG-CG 3.93Å; P473-Q701 PolarHBondContact O-NE2 3.48Å; P473-Q701 VanDerWaalsContact O-NE2 3.11Å; P473-Q701 PolarHBondContact O-OE1 2.92Å |
| 474 | I | 96 | Very high | 95.7 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.005 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -70.2 | -47.5 | -177 | -58.7 | -60.2 | 0 | 0 | 0 | 110.6 | Q301 Y302 W469 A470 D471 G472 H477 Y478 R603 | Q301-I474 HydrophobicContact CB-CD1 4.09Å; Q301-I474 HydrophobicContact CB-CG1 3.8Å; Q301-I474 HydrophobicContact CB-CG2 4.46Å; Q301-I474 VanDerWaalsContact OE1-CG1 3.23Å; Y302-I474 HydrophobicContact CD1-CG2 3.73Å; Y302-I474 HydrophobicContact CD2-CD1 4.29Å; Y302-I474 HydrophobicContact CE1-CD1 4.26Å; Y302-I474 HydrophobicContact CE1-CG2 3.74Å; Y302-I474 HydrophobicContact CE2-CD1 3.77Å; Y302-I474 HydrophobicContact CG-CG2 4.25Å; W469-I474 HydrophobicContact CH2-CG2 4.06Å; W469-I474 HydrophobicContact CZ3-CG2 3.78Å; A470-I474 HydrophobicContact CB-CB 3.88Å; A470-I474 HydrophobicContact CB-CG1 4.02Å; A470-I474 HydrophobicContact CB-CG2 4.06Å; D471-I474 WeakPolarHBondContact O-CB 3.34Å; D471-I474 PolarHBondContact O-N 3.38Å; G472-I474 PolarHBondContact O-N 3.04Å; G472-I474 VanDerWaalsContact O-N 3.12Å; I474-H477 PolarHBondContact O-N 3.2Å; I474-Y478 PolarHBondContact O-N 3.02Å; I474-R603 VanDerWaalsContact CD1-CZ 3.46Å |
| 475 | I | 96.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 9.9 Ų | 9.9 | 3% | 0.026 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -78.4 | -29.8 | -178.2 | -173.4 | 70.6 | 0 | 0 | 0 | 111.3 | Y250 F451 L463 A465 W469 G472 H477 Y478 F479 | Y250-I475 HydrophobicContact CD1-CG2 4Å; Y250-I475 HydrophobicContact CE1-CB 4.14Å; Y250-I475 HydrophobicContact CE1-CG1 3.87Å; Y250-I475 HydrophobicContact CE1-CG2 3.2Å; Y250-I475 WeakPolarHBondContact OH-CG2 3.23Å; F451-I475 HydrophobicContact CB-CD1 4.03Å; F451-I475 HydrophobicContact CD1-CD1 3.93Å; F451-I475 HydrophobicContact CG-CD1 4.06Å; L463-I475 HydrophobicContact CD2-CD1 4.16Å; L463-I475 HydrophobicContact CD2-CG1 3.55Å; A465-I475 HydrophobicContact CB-CD1 4.32Å; A465-I475 HydrophobicContact CB-CG1 3.81Å; W469-I475 HydrophobicContact CH2-CB 4.13Å; W469-I475 HydrophobicContact CH2-CD1 4.19Å; W469-I475 HydrophobicContact CZ2-CB 4.19Å; W469-I475 HydrophobicContact CZ2-CD1 4.03Å; W469-I475 HydrophobicContact CZ2-CG1 4.43Å; G472-I475 VanDerWaalsContact O-CG2 3.22Å; G472-I475 WeakPolarHBondContact O-CG2 3.4Å; G472-I475 PolarHBondContact O-N 3.15Å; I475-H477 VanDerWaalsContact C-N 3.34Å; I475-Y478 HydrophobicContact CD1-CD1 3.49Å; I475-Y478 VanDerWaalsContact CD1-CD1 3.49Å; I475-Y478 HydrophobicContact CD1-CE1 4.18Å; I475-Y478 HydrophobicContact CD1-CG 4.19Å; I475-Y478 HydrophobicContact CG1-CD1 4.35Å; I475-Y478 WeakPolarHBondContact O-CB 2.96Å; I475-Y478 PolarHBondContact O-N 3.2Å; I475-F479 PolarHBondContact O-N 3.41Å |
| 476 | S | 95.3 | Very high | 95.1 | Very high | 9 Ų | 9 | 9.9 Ų | 9.9 | 6% | 0.063 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -66.8 | -34.9 | 170 | 72.2 | 0 | 0 | 0 | 0 | 112.1 | G472 P473 F479 E480 Q701 | G472-S476 WeakPolarHBondContact O-CB 3.39Å; G472-S476 PolarHBondContact O-N 3.04Å; G472-S476 PolarHBondContact O-OG 2.95Å; P473-S476 WeakPolarHBondContact CA-OG 3.47Å; P473-S476 PolarHBondContact O-OG 3.39Å; P473-S476 VanDerWaalsContact O-OG 3.12Å; S476-F479 PolarHBondContact O-N 2.96Å; S476-E480 VanDerWaalsContact O-CB 3.22Å; S476-E480 WeakPolarHBondContact O-CB 3.26Å; S476-E480 PolarHBondContact O-N 3Å; S476-Q701 PolarHBondContact OG-NE2 3.22Å |
| 477 | H | 96.4 | Very high | 94.6 | Very high | 6 Ų | 6 | 9.8 Ų | 9.8 | 3% | 0.028 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | 172.3 | 178.9 | -161.5 | 0 | 0 | 0 | 111.2 | Y302 P473 I474 I475 F479 F481 Q701 | Y302-H477 AromaticContact CE1-ND1 3.69Å; Y302-H477 AromaticContact CZ-ND1 3.61Å; Y302-H477 PolarHBondContact OH-ND1 2.69Å; P473-H477 WeakPolarHBondContact O-CB 3.5Å; P473-H477 PolarHBondContact O-N 3.21Å; I474-H477 PolarHBondContact O-N 3.2Å; I475-H477 VanDerWaalsContact C-N 3.34Å; H477-F479 VanDerWaalsContact C-N 3.32Å; H477-F479 PolarHBondContact O-N 3.31Å; H477-F481 VanDerWaalsContact O-CB 3.27Å; H477-F481 WeakPolarHBondContact O-CB 3.39Å; H477-F481 PolarHBondContact O-N 3.04Å; H477-Q701 HydrophobicContact CB-CB 3.94Å; H477-Q701 HydrophobicContact CB-CG 4.49Å; H477-Q701 PolarHBondContact NE2-O 3.41Å |
| 478 | Y | 97.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 0% | 0.004 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -54.2 | -51.1 | 173.4 | 153.6 | -102.2 | 0 | 0 | 0 | 111 | S275 F278 F306 F451 L463 I474 I475 F481 T482 | S275-Y478 WeakPolarHBondContact OG-CE2 3.41Å; S275-Y478 PolarHBondContact OG-OH 2.76Å; F278-Y478 HydrophobicContact CB-CD2 4.49Å; F278-Y478 AromaticContact CD1-CD2 3.69Å; F278-Y478 HydrophobicContact CD1-CD2 3.69Å; F278-Y478 HydrophobicContact CD1-CG 4.36Å; F278-Y478 HydrophobicContact CE1-CD2 4.19Å; F278-Y478 HydrophobicContact CE1-CG 4.43Å; F278-Y478 HydrophobicContact CG-CD2 4.26Å; F306-Y478 HydrophobicContact CE1-CE2 4.16Å; F306-Y478 HydrophobicContact CE2-CD2 4.45Å; F306-Y478 AromaticContact CZ-CD2 3.77Å; F306-Y478 HydrophobicContact CZ-CD2 3.77Å; F306-Y478 AromaticContact CZ-CE2 3.69Å; F306-Y478 HydrophobicContact CZ-CE2 3.69Å; F451-Y478 AromaticContact CD2-CE1 3.95Å; F451-Y478 HydrophobicContact CD2-CE1 3.95Å; F451-Y478 HydrophobicContact CE1-CE1 4.34Å; F451-Y478 AromaticContact CE2-CE1 3.71Å; F451-Y478 HydrophobicContact CE2-CE1 3.71Å; F451-Y478 HydrophobicContact CE2-CE2 4.36Å; F451-Y478 AromaticContact CE2-CZ 3.45Å; F451-Y478 VanDerWaalsContact CE2-CZ 3.45Å; F451-Y478 WeakPolarHBondContact CE2-OH 3.07Å; F451-Y478 HydrophobicContact CG-CE1 4.38Å; F451-Y478 AromaticContact CZ-CE1 3.89Å; F451-Y478 HydrophobicContact CZ-CE1 3.89Å; F451-Y478 AromaticContact CZ-CE2 3.93Å; F451-Y478 HydrophobicContact CZ-CE2 3.93Å; F451-Y478 AromaticContact CZ-CZ 3.46Å; F451-Y478 VanDerWaalsContact CZ-CZ 3.46Å; F451-Y478 WeakPolarHBondContact CZ-OH 3.26Å; L463-Y478 HydrophobicContact CD1-CD1 4.5Å; L463-Y478 HydrophobicContact CD1-CE1 3.86Å; I474-Y478 PolarHBondContact O-N 3.02Å; I475-Y478 HydrophobicContact CD1-CD1 3.49Å; I475-Y478 VanDerWaalsContact CD1-CD1 3.49Å; I475-Y478 HydrophobicContact CD1-CE1 4.18Å; I475-Y478 HydrophobicContact CD1-CG 4.19Å; I475-Y478 HydrophobicContact CG1-CD1 4.35Å; I475-Y478 WeakPolarHBondContact O-CB 2.96Å; I475-Y478 PolarHBondContact O-N 3.2Å; Y478-F481 PolarHBondContact O-N 3.47Å; Y478-T482 HydrophobicContact CD2-CG2 3.81Å; Y478-T482 HydrophobicContact CE2-CG2 3.41Å; Y478-T482 VanDerWaalsContact CE2-CG2 3.41Å; Y478-T482 WeakPolarHBondContact O-CG2 3.17Å; Y478-T482 PolarHBondContact O-N 2.91Å; Y478-T482 PolarHBondContact O-OG1 3.37Å |
| 479 | F | 96.9 | Very high | 93.7 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 2% | 0.022 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69 | -43.4 | -173.7 | -165.6 | -133.9 | 0 | 0 | 0 | 112.1 | V253 M271 L453 C461 L463 I475 S476 H477 F481 T482 M483 | V253-F479 WeakPolarHBondContact O-CE1 3.4Å; M271-F479 HydrophobicContact CE-CE2 4.21Å; L453-F479 HydrophobicContact CD1-CE2 4.43Å; C461-F479 VanDerWaalsContact SG-CZ 3.59Å; L463-F479 HydrophobicContact CB-CD1 4.38Å; L463-F479 HydrophobicContact CB-CD2 4.19Å; L463-F479 HydrophobicContact CB-CE1 4.26Å; L463-F479 HydrophobicContact CB-CE2 4.1Å; L463-F479 HydrophobicContact CB-CG 4.35Å; L463-F479 HydrophobicContact CB-CZ 4.14Å; L463-F479 HydrophobicContact CD2-CB 4.15Å; L463-F479 HydrophobicContact CD2-CG 4.18Å; I475-F479 PolarHBondContact O-N 3.41Å; S476-F479 PolarHBondContact O-N 2.96Å; H477-F479 VanDerWaalsContact C-N 3.32Å; H477-F479 PolarHBondContact O-N 3.31Å; F479-F481 VanDerWaalsContact C-N 3.32Å; F479-F481 PolarHBondContact O-N 3.14Å; F479-T482 PolarHBondContact O-N 3.12Å; F479-T482 PolarHBondContact O-OG1 3.49Å; F479-T482 VanDerWaalsContact O-OG1 3.04Å; F479-M483 HydrophobicContact CD1-CE 3.54Å; F479-M483 HydrophobicContact CD1-SD 4.18Å; F479-M483 HydrophobicContact CD2-CE 4.47Å; F479-M483 HydrophobicContact CD2-CG 4.44Å; F479-M483 HydrophobicContact CE1-CE 3.75Å; F479-M483 HydrophobicContact CE1-SD 3.81Å; F479-M483 HydrophobicContact CE2-CG 4.25Å; F479-M483 HydrophobicContact CE2-SD 4.22Å; F479-M483 HydrophobicContact CG-CE 3.93Å; F479-M483 HydrophobicContact CZ-CE 4.29Å; F479-M483 HydrophobicContact CZ-CG 4.44Å; F479-M483 HydrophobicContact CZ-SD 3.82Å; F479-M483 WeakPolarHBondContact O-CE 3.38Å; F479-M483 WeakPolarHBondContact O-CG 3.4Å; F479-M483 PolarHBondContact O-N 3.08Å |
| 480 | E | 95.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 2% | 0.019 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -55.6 | -47.7 | 171.5 | 176.8 | -177.4 | -176.8 | 0 | 0 | 111.1 | S476 T482 I484 Q700 Q701 T702 | S476-E480 VanDerWaalsContact O-CB 3.22Å; S476-E480 WeakPolarHBondContact O-CB 3.26Å; S476-E480 PolarHBondContact O-N 3Å; E480-T482 PolarHBondContact O-N 3.36Å; E480-I484 HydrophobicContact CG-CD1 3.61Å; E480-I484 WeakPolarHBondContact O-CB 3.34Å; E480-I484 WeakPolarHBondContact O-CD1 3.46Å; E480-I484 WeakPolarHBondContact O-CG1 3.31Å; E480-I484 PolarHBondContact O-N 2.72Å; E480-I484 VanDerWaalsContact O-N 3.07Å; E480-Q700 WeakPolarHBondContact OE1-CA 3.5Å; E480-Q700 PolarHBondContact OE1-N 2.78Å; E480-Q701 PolarHBondContact OE1-N 3.16Å; E480-Q701 VanDerWaalsContact OE1-N 3.1Å; E480-Q701 VanDerWaalsContact OE2-CB 3.28Å; E480-Q701 WeakPolarHBondContact OE2-CB 3.37Å; E480-Q701 PolarHBondContact OE2-N 2.84Å; E480-T702 HydrophobicContact CG-CG2 3.91Å |
| 481 | F | 95.5 | Very high | 91.5 | Very high | 11 Ų | 11 | 16.3 Ų | 16.3 | 5% | 0.048 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.8 | -48.1 | 178.1 | 177.5 | -81.6 | 0 | 0 | 0 | 111.6 | I277 F278 L281 H477 Y478 F479 I484 Y485 L704 | I277-F481 HydrophobicContact CG2-CE1 4.4Å; I277-F481 HydrophobicContact CG2-CZ 4.26Å; F278-F481 HydrophobicContact CB-CD1 3.73Å; F278-F481 HydrophobicContact CB-CE1 3.81Å; F278-F481 HydrophobicContact CD2-CB 3.75Å; F278-F481 AromaticContact CD2-CD1 3.41Å; F278-F481 HydrophobicContact CD2-CD1 3.41Å; F278-F481 VanDerWaalsContact CD2-CD1 3.41Å; F278-F481 AromaticContact CD2-CD2 3.78Å; F278-F481 HydrophobicContact CD2-CD2 3.78Å; F278-F481 AromaticContact CD2-CE1 3.9Å; F278-F481 HydrophobicContact CD2-CE1 3.9Å; F278-F481 HydrophobicContact CD2-CE2 4.22Å; F278-F481 AromaticContact CD2-CG 3.35Å; F278-F481 HydrophobicContact CD2-CG 3.35Å; F278-F481 HydrophobicContact CD2-CZ 4.28Å; F278-F481 HydrophobicContact CE2-CB 3.85Å; F278-F481 HydrophobicContact CE2-CD1 4.35Å; F278-F481 HydrophobicContact CE2-CD2 4.14Å; F278-F481 AromaticContact CE2-CG 3.87Å; F278-F481 HydrophobicContact CE2-CG 3.87Å; F278-F481 AromaticContact CG-CD1 3.93Å; F278-F481 HydrophobicContact CG-CD1 3.93Å; F278-F481 HydrophobicContact CG-CE1 4.34Å; F278-F481 HydrophobicContact CG-CG 4.28Å; L281-F481 HydrophobicContact CD1-CE2 3.85Å; L281-F481 HydrophobicContact CD1-CZ 3.63Å; H477-F481 VanDerWaalsContact O-CB 3.27Å; H477-F481 WeakPolarHBondContact O-CB 3.39Å; H477-F481 PolarHBondContact O-N 3.04Å; Y478-F481 PolarHBondContact O-N 3.47Å; F479-F481 VanDerWaalsContact C-N 3.32Å; F479-F481 PolarHBondContact O-N 3.14Å; F481-I484 PolarHBondContact O-N 3.47Å; F481-Y485 AromaticContact CE1-CD2 3.94Å; F481-Y485 HydrophobicContact CE1-CD2 3.94Å; F481-Y485 HydrophobicContact CE1-CG 4.09Å; F481-Y485 AromaticContact CZ-CD2 3.74Å; F481-Y485 HydrophobicContact CZ-CD2 3.74Å; F481-Y485 HydrophobicContact CZ-CE2 4.33Å; F481-Y485 HydrophobicContact CZ-CG 4.35Å; F481-Y485 WeakPolarHBondContact O-CB 3.27Å; F481-Y485 PolarHBondContact O-N 2.87Å; F481-L704 HydrophobicContact CD2-CD1 3.74Å; F481-L704 HydrophobicContact CD2-CG 4.49Å; F481-L704 HydrophobicContact CE2-CD1 3.75Å; F481-L704 HydrophobicContact CE2-CG 4.39Å; F481-L704 HydrophobicContact CG-CD1 4.31Å; F481-L704 HydrophobicContact CZ-CD1 4.31Å |
| 482 | T | 95.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.4 | -42.5 | -174.1 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | A274 Y478 F479 E480 Y485 D486 | A274-T482 HydrophobicContact CB-CG2 4.12Å; Y478-T482 HydrophobicContact CD2-CG2 3.81Å; Y478-T482 HydrophobicContact CE2-CG2 3.41Å; Y478-T482 VanDerWaalsContact CE2-CG2 3.41Å; Y478-T482 WeakPolarHBondContact O-CG2 3.17Å; Y478-T482 PolarHBondContact O-N 2.91Å; Y478-T482 PolarHBondContact O-OG1 3.37Å; F479-T482 PolarHBondContact O-N 3.12Å; F479-T482 PolarHBondContact O-OG1 3.49Å; F479-T482 VanDerWaalsContact O-OG1 3.04Å; E480-T482 PolarHBondContact O-N 3.36Å; T482-Y485 PolarHBondContact O-N 2.62Å; T482-D486 PolarHBondContact O-N 3.21Å |
| 483 | M | 93.5 | Very high | 86.6 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.1 | -52.2 | 174.6 | -70.7 | -175.2 | -67.7 | 0 | 0 | 111 | D254 M271 F479 Y485 D486 F487 | D254-M483 VanDerWaalsContact OD1-SD 3.34Å; M271-M483 HydrophobicContact CE-CG 3.91Å; F479-M483 HydrophobicContact CD1-CE 3.54Å; F479-M483 HydrophobicContact CD1-SD 4.18Å; F479-M483 HydrophobicContact CD2-CE 4.47Å; F479-M483 HydrophobicContact CD2-CG 4.44Å; F479-M483 HydrophobicContact CE1-CE 3.75Å; F479-M483 HydrophobicContact CE1-SD 3.81Å; F479-M483 HydrophobicContact CE2-CG 4.25Å; F479-M483 HydrophobicContact CE2-SD 4.22Å; F479-M483 HydrophobicContact CG-CE 3.93Å; F479-M483 HydrophobicContact CZ-CE 4.29Å; F479-M483 HydrophobicContact CZ-CG 4.44Å; F479-M483 HydrophobicContact CZ-SD 3.82Å; F479-M483 WeakPolarHBondContact O-CE 3.38Å; F479-M483 WeakPolarHBondContact O-CG 3.4Å; F479-M483 PolarHBondContact O-N 3.08Å; M483-Y485 VanDerWaalsContact C-N 3.33Å; M483-Y485 PolarHBondContact O-N 3.33Å; M483-D486 WeakPolarHBondContact O-CB 3.35Å; M483-D486 PolarHBondContact O-N 2.97Å; M483-F487 HydrophobicContact CB-CE2 3.91Å; M483-F487 HydrophobicContact CB-CZ 4.03Å; M483-F487 VanDerWaalsContact O-CD1 3.31Å; M483-F487 WeakPolarHBondContact O-CD1 3.32Å; M483-F487 VanDerWaalsContact O-CD2 3.24Å; M483-F487 WeakPolarHBondContact O-CD2 3.4Å; M483-F487 WeakPolarHBondContact O-CG 3.24Å; M483-F487 PolarHBondContact O-N 2.89Å |
| 484 | I | 92.1 | Very high | 84 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.1 | -35.5 | -178.4 | -68.3 | 163.6 | 0 | 0 | 0 | 111.6 | E480 F481 F487 I488 T702 L704 V705 | E480-I484 HydrophobicContact CG-CD1 3.61Å; E480-I484 WeakPolarHBondContact O-CB 3.34Å; E480-I484 WeakPolarHBondContact O-CD1 3.46Å; E480-I484 WeakPolarHBondContact O-CG1 3.31Å; E480-I484 PolarHBondContact O-N 2.72Å; E480-I484 VanDerWaalsContact O-N 3.07Å; F481-I484 PolarHBondContact O-N 3.47Å; I484-F487 PolarHBondContact O-N 3.38Å; I484-I488 HydrophobicContact CG2-CD1 3.65Å; I484-I488 HydrophobicContact CG2-CG1 4.23Å; I484-I488 WeakPolarHBondContact O-CB 3.43Å; I484-I488 WeakPolarHBondContact O-CG1 3.22Å; I484-I488 PolarHBondContact O-N 3.38Å; I484-T702 HydrophobicContact CD1-CG2 3.51Å; I484-L704 HydrophobicContact CG2-CB 3.54Å; I484-L704 HydrophobicContact CG2-CD1 4.13Å; I484-V705 HydrophobicContact CD1-CG1 3.6Å; I484-V705 HydrophobicContact CG1-CG1 4.06Å; I484-V705 HydrophobicContact CG2-CB 3.97Å; I484-V705 HydrophobicContact CG2-CG1 3.77Å |
| 485 | Y | 92.3 | Very high | 81.1 | Confident | 44 Ų | 44 | 34.3 Ų | 34.3 | 17% | 0.173 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.8 | -39.5 | 176.1 | -168.5 | -86.1 | 0 | 0 | 0 | 111.5 | Y273 A274 I277 F481 T482 M483 K489 L490 L704 | Y273-Y485 HydrophobicContact CD1-CE1 4.42Å; Y273-Y485 HydrophobicContact CE1-CE1 4.48Å; A274-Y485 HydrophobicContact CB-CD1 3.73Å; A274-Y485 HydrophobicContact CB-CG 4.29Å; I277-Y485 HydrophobicContact CG1-CE1 4.21Å; I277-Y485 HydrophobicContact CG2-CE2 4.09Å; F481-Y485 AromaticContact CE1-CD2 3.94Å; F481-Y485 HydrophobicContact CE1-CD2 3.94Å; F481-Y485 HydrophobicContact CE1-CG 4.09Å; F481-Y485 AromaticContact CZ-CD2 3.74Å; F481-Y485 HydrophobicContact CZ-CD2 3.74Å; F481-Y485 HydrophobicContact CZ-CE2 4.33Å; F481-Y485 HydrophobicContact CZ-CG 4.35Å; F481-Y485 WeakPolarHBondContact O-CB 3.27Å; F481-Y485 PolarHBondContact O-N 2.87Å; T482-Y485 PolarHBondContact O-N 2.62Å; M483-Y485 VanDerWaalsContact C-N 3.33Å; M483-Y485 PolarHBondContact O-N 3.33Å; Y485-K489 HydrophobicContact CD1-CB 4.1Å; Y485-K489 HydrophobicContact CD2-CB 3.85Å; Y485-K489 HydrophobicContact CD2-CG 3.8Å; Y485-K489 HydrophobicContact CE1-CB 4Å; Y485-K489 HydrophobicContact CE2-CB 3.74Å; Y485-K489 HydrophobicContact CE2-CG 3.83Å; Y485-K489 HydrophobicContact CG-CB 4.02Å; Y485-K489 HydrophobicContact CG-CG 4.34Å; Y485-K489 WeakPolarHBondContact O-CA 3.46Å; Y485-K489 WeakPolarHBondContact O-CB 3.25Å; Y485-K489 PolarHBondContact O-N 2.93Å; Y485-L490 HydrophobicContact CD1-CD1 3.98Å; Y485-L490 HydrophobicContact CD1-CD2 4.35Å; Y485-L490 HydrophobicContact CD1-CG 3.75Å; Y485-L490 HydrophobicContact CE1-CD1 4.07Å; Y485-L490 HydrophobicContact CE1-CD2 3.68Å; Y485-L490 HydrophobicContact CE1-CG 3.6Å; Y485-L490 PolarHBondContact O-N 2.72Å; Y485-L490 VanDerWaalsContact O-N 3.09Å; Y485-L704 HydrophobicContact CD2-CD1 4.12Å |
| 486 | D | 92.6 | Very high | 78.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -59.6 | -54.1 | 169.6 | 179.7 | 37.2 | 0 | 0 | 0 | 110.7 | R267 N270 M271 T482 M483 I488 G491 Y506 | R267-D486 IonicContact CZ-OD2 3.2Å; R267-D486 IonicContact NH1-OD2 3.91Å; R267-D486 PolarHBondContact NH1-OD2 2.92Å; N270-D486 HydrophobicContact CB-CB 4.43Å; N270-D486 WeakPolarHBondContact CB-OD1 3.45Å; N270-D486 VanDerWaalsContact CG-OD1 3.3Å; N270-D486 PolarHBondContact ND2-OD1 3.43Å; M271-D486 HydrophobicContact SD-CB 4.11Å; T482-D486 PolarHBondContact O-N 3.21Å; M483-D486 WeakPolarHBondContact O-CB 3.35Å; M483-D486 PolarHBondContact O-N 2.97Å; D486-I488 VanDerWaalsContact C-N 3.28Å; D486-I488 PolarHBondContact O-N 2.81Å; D486-G491 PolarHBondContact O-N 2.82Å; D486-Y506 VanDerWaalsContact CG-OH 3.24Å; D486-Y506 PolarHBondContact OD1-OH 3.45Å; D486-Y506 PolarHBondContact OD2-OH 2.9Å |
| 487 | F | 87.9 | Confident | 75.9 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -57.1 | -39.7 | -176.4 | -57.6 | -22.9 | 0 | 0 | 0 | 112.6 | A255 Y258 M483 I484 R505 F713 | A255-F487 HydrophobicContact CB-CE2 3.87Å; A255-F487 HydrophobicContact CB-CZ 3.92Å; Y258-F487 AromaticContact CD1-CD1 3.47Å; Y258-F487 HydrophobicContact CD1-CD1 3.47Å; Y258-F487 VanDerWaalsContact CD1-CD1 3.47Å; Y258-F487 HydrophobicContact CD1-CD2 4.11Å; Y258-F487 AromaticContact CD1-CE1 3.47Å; Y258-F487 HydrophobicContact CD1-CE1 3.47Å; Y258-F487 VanDerWaalsContact CD1-CE1 3.47Å; Y258-F487 HydrophobicContact CD1-CE2 4.14Å; Y258-F487 AromaticContact CD1-CG 3.8Å; Y258-F487 HydrophobicContact CD1-CG 3.8Å; Y258-F487 AromaticContact CD1-CZ 3.84Å; Y258-F487 HydrophobicContact CD1-CZ 3.84Å; Y258-F487 HydrophobicContact CE1-CB 4.2Å; Y258-F487 AromaticContact CE1-CD1 3.43Å; Y258-F487 HydrophobicContact CE1-CD1 3.43Å; Y258-F487 VanDerWaalsContact CE1-CD1 3.43Å; Y258-F487 AromaticContact CE1-CE1 3.87Å; Y258-F487 HydrophobicContact CE1-CE1 3.87Å; Y258-F487 AromaticContact CE1-CG 3.82Å; Y258-F487 HydrophobicContact CE1-CG 3.82Å; M483-F487 HydrophobicContact CB-CE2 3.91Å; M483-F487 HydrophobicContact CB-CZ 4.03Å; M483-F487 VanDerWaalsContact O-CD1 3.31Å; M483-F487 WeakPolarHBondContact O-CD1 3.32Å; M483-F487 VanDerWaalsContact O-CD2 3.24Å; M483-F487 WeakPolarHBondContact O-CD2 3.4Å; M483-F487 WeakPolarHBondContact O-CG 3.24Å; M483-F487 PolarHBondContact O-N 2.89Å; I484-F487 PolarHBondContact O-N 3.38Å; F487-R505 WeakPolarHBondContact O-CD 3.25Å; F487-R505 PolarHBondContact O-NE 3.13Å; F487-R505 PolarHBondContact O-NH1 3.08Å; F487-F713 HydrophobicContact CB-CD1 4.39Å; F487-F713 HydrophobicContact CB-CE1 4.42Å; F487-F713 HydrophobicContact CD2-CB 3.97Å; F487-F713 AromaticContact CD2-CD1 3.67Å; F487-F713 HydrophobicContact CD2-CD1 3.67Å; F487-F713 HydrophobicContact CD2-CE1 4.45Å; F487-F713 AromaticContact CD2-CG 3.85Å; F487-F713 HydrophobicContact CD2-CG 3.85Å; F487-F713 HydrophobicContact CE2-CB 4.25Å; F487-F713 HydrophobicContact CE2-CD1 4.25Å; F487-F713 HydrophobicContact CE2-CG 4.49Å; F487-F713 HydrophobicContact CG-CD1 4.23Å |
| 488 | I | 85.7 | Confident | 73 | Confident | 43 Ų | 43 | 51.5 Ų | 51.5 | 22% | 0.221 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -110.9 | -28.6 | -166.9 | -58.6 | -178.6 | 0 | 0 | 0 | 113.8 | I484 D486 V705 F713 | I484-I488 HydrophobicContact CG2-CD1 3.65Å; I484-I488 HydrophobicContact CG2-CG1 4.23Å; I484-I488 WeakPolarHBondContact O-CB 3.43Å; I484-I488 WeakPolarHBondContact O-CG1 3.22Å; I484-I488 PolarHBondContact O-N 3.38Å; D486-I488 VanDerWaalsContact C-N 3.28Å; D486-I488 PolarHBondContact O-N 2.81Å; I488-V705 HydrophobicContact CD1-CB 3.54Å; I488-V705 HydrophobicContact CD1-CG1 4.47Å; I488-V705 HydrophobicContact CD1-CG2 3.62Å; I488-F713 HydrophobicContact CD1-CD2 4.23Å; I488-F713 HydrophobicContact CD1-CE2 4.07Å; I488-F713 HydrophobicContact CG1-CE2 4.21Å |
| 489 | K | 85.4 | Confident | 70.3 | Confident | 121 Ų | 121 | 64.5 Ų | 64.5 | 53% | 0.526 | 30% | 0.299 | S | S | . | . | I | π-helix | trans | -111.9 | -41.2 | -168.9 | -64.3 | -61.2 | -173.7 | -175.2 | 0 | 114.4 | Y485 G491 | Y485-K489 HydrophobicContact CD1-CB 4.1Å; Y485-K489 HydrophobicContact CD2-CB 3.85Å; Y485-K489 HydrophobicContact CD2-CG 3.8Å; Y485-K489 HydrophobicContact CE1-CB 4Å; Y485-K489 HydrophobicContact CE2-CB 3.74Å; Y485-K489 HydrophobicContact CE2-CG 3.83Å; Y485-K489 HydrophobicContact CG-CB 4.02Å; Y485-K489 HydrophobicContact CG-CG 4.34Å; Y485-K489 WeakPolarHBondContact O-CA 3.46Å; Y485-K489 WeakPolarHBondContact O-CB 3.25Å; Y485-K489 PolarHBondContact O-N 2.93Å; K489-G491 VanDerWaalsContact C-N 3.29Å |
| 490 | L | 84.9 | Confident | 67.6 | Low | 26 Ų | 26 | 68.9 Ų | 68.9 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -80.2 | -26.1 | 173.6 | -62.4 | 179.4 | 0 | 0 | 0 | 111 | N270 Y273 A274 P350 Y485 G492 | N270-L490 HydrophobicContact CB-CD1 3.8Å; N270-L490 WeakPolarHBondContact O-CD1 3.19Å; Y273-L490 HydrophobicContact CD1-CD1 3.91Å; Y273-L490 HydrophobicContact CD1-CD2 3.63Å; Y273-L490 HydrophobicContact CD1-CG 4.37Å; Y273-L490 HydrophobicContact CE1-CD2 3.8Å; Y273-L490 HydrophobicContact CG-CD1 4.44Å; A274-L490 HydrophobicContact CB-CD1 4.3Å; P350-L490 HydrophobicContact CG-CD1 4.44Å; P350-L490 HydrophobicContact CG-CD2 4.12Å; Y485-L490 HydrophobicContact CD1-CD1 3.98Å; Y485-L490 HydrophobicContact CD1-CD2 4.35Å; Y485-L490 HydrophobicContact CD1-CG 3.75Å; Y485-L490 HydrophobicContact CE1-CD1 4.07Å; Y485-L490 HydrophobicContact CE1-CD2 3.68Å; Y485-L490 HydrophobicContact CE1-CG 3.6Å; Y485-L490 PolarHBondContact O-N 2.72Å; Y485-L490 VanDerWaalsContact O-N 3.09Å; L490-G492 PolarHBondContact O-N 2.95Å |
| 491 | G | 59.7 | Low | 64.9 | Low | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -68.9 | 74.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | D486 K489 R505 | D486-G491 PolarHBondContact O-N 2.82Å; K489-G491 VanDerWaalsContact C-N 3.29Å; G491-R505 CarbonylContact C-O 3.54Å; G491-R505 WeakPolarHBondContact CA-O 3.28Å; G491-R505 WeakPolarHBondContact O-CG 3.32Å |
| 492 | G | 46.7 | Very low | 62.3 | Low | 21 Ų | 21 | 79.2 Ų | 79.2 | 22% | 0.216 | 38% | 0.383 | C | S | . | . | trans | 61.8 | 157.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | L490 F494 Y504 R505 | L490-G492 PolarHBondContact O-N 2.95Å; G492-F494 PolarHBondContact O-N 2.72Å; G492-Y504 WeakPolarHBondContact CA-O 3.37Å; G492-R505 PolarHBondContact N-O 3.44Å | ||
| 493 | Y | 38.1 | Very low | 59.9 | Low | 233 Ų | 233 | 82.6 Ų | 82.6 | 91% | 0.914 | 40% | 0.401 | S | S | * | . | trans | -68.1 | 125.5 | -174.7 | -118 | -99.9 | 0 | 0 | 0 | 112.5 | C495 | Y493-C495 PolarHBondContact O-N 2.71Š| ||
| 494 | F | 41 | Very low | 57.5 | Low | 113 Ų | 113 | 89.4 Ų | 89.4 | 50% | 0.496 | 43% | 0.427 | S | S | . | . | trans | -78.6 | 105.5 | 167.7 | -165 | -80.4 | 0 | 0 | 0 | 109.3 | G492 Y496 | G492-F494 PolarHBondContact O-N 2.72Å; F494-Y496 HydrophobicContact CD1-CD1 4.35Å; F494-Y496 AromaticContact CD1-CD2 3.26Å; F494-Y496 HydrophobicContact CD1-CD2 3.26Å; F494-Y496 HydrophobicContact CD1-CE1 4.39Å; F494-Y496 AromaticContact CD1-CE2 3.31Å; F494-Y496 HydrophobicContact CD1-CE2 3.31Å; F494-Y496 AromaticContact CD1-CG 3.8Å; F494-Y496 HydrophobicContact CD1-CG 3.8Å; F494-Y496 AromaticContact CD1-CZ 3.9Å; F494-Y496 AromaticContact CE1-CD1 3.53Å; F494-Y496 HydrophobicContact CE1-CD1 3.53Å; F494-Y496 AromaticContact CE1-CD2 3.3Å; F494-Y496 HydrophobicContact CE1-CD2 3.3Å; F494-Y496 AromaticContact CE1-CE1 3.47Å; F494-Y496 HydrophobicContact CE1-CE1 3.47Å; F494-Y496 VanDerWaalsContact CE1-CE1 3.47Å; F494-Y496 AromaticContact CE1-CE2 3.23Å; F494-Y496 HydrophobicContact CE1-CE2 3.23Å; F494-Y496 AromaticContact CE1-CG 3.42Å; F494-Y496 HydrophobicContact CE1-CG 3.42Å; F494-Y496 VanDerWaalsContact CE1-CG 3.42Å; F494-Y496 AromaticContact CE1-CZ 3.31Å; F494-Y496 HydrophobicContact CG-CE2 4.39Å; F494-Y496 HydrophobicContact CZ-CD1 4.39Å; F494-Y496 HydrophobicContact CZ-CE1 4.05Å; F494-Y496 HydrophobicContact CZ-CE2 4.23Å; F494-Y496 AromaticContact CZ-CZ 3.94Å | ||
| 495 | C | 34.2 | Very low | 56.5 | Low | 68 Ų | 68 | 90.6 Ų | 90.6 | 46% | 0.459 | 43% | 0.431 | S | S | . | . | trans | -86.9 | 115.6 | 165.4 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | Y493 S497 | Y493-C495 PolarHBondContact O-N 2.71Å; C495-S497 PolarHBondContact O-N 2.87Å; C495-S497 VanDerWaalsContact O-N 3.11Å; C495-S497 PolarHBondContact SG-OG 3.23Å; C495-S497 VanDerWaalsContact SG-OG 3.42Å | ||
| 496 | Y | 39.2 | Very low | 56.4 | Low | 209 Ų | 209 | 89 Ų | 89 | 82% | 0.82 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | 2.8 | -179.3 | -101.5 | -80.8 | 0 | 0 | 0 | 114.7 | F494 | F494-Y496 HydrophobicContact CD1-CD1 4.35Å; F494-Y496 AromaticContact CD1-CD2 3.26Å; F494-Y496 HydrophobicContact CD1-CD2 3.26Å; F494-Y496 HydrophobicContact CD1-CE1 4.39Å; F494-Y496 AromaticContact CD1-CE2 3.31Å; F494-Y496 HydrophobicContact CD1-CE2 3.31Å; F494-Y496 AromaticContact CD1-CG 3.8Å; F494-Y496 HydrophobicContact CD1-CG 3.8Å; F494-Y496 AromaticContact CD1-CZ 3.9Å; F494-Y496 AromaticContact CE1-CD1 3.53Å; F494-Y496 HydrophobicContact CE1-CD1 3.53Å; F494-Y496 AromaticContact CE1-CD2 3.3Å; F494-Y496 HydrophobicContact CE1-CD2 3.3Å; F494-Y496 AromaticContact CE1-CE1 3.47Å; F494-Y496 HydrophobicContact CE1-CE1 3.47Å; F494-Y496 VanDerWaalsContact CE1-CE1 3.47Å; F494-Y496 AromaticContact CE1-CE2 3.23Å; F494-Y496 HydrophobicContact CE1-CE2 3.23Å; F494-Y496 AromaticContact CE1-CG 3.42Å; F494-Y496 HydrophobicContact CE1-CG 3.42Å; F494-Y496 VanDerWaalsContact CE1-CG 3.42Å; F494-Y496 AromaticContact CE1-CZ 3.31Å; F494-Y496 HydrophobicContact CG-CE2 4.39Å; F494-Y496 HydrophobicContact CZ-CD1 4.39Å; F494-Y496 HydrophobicContact CZ-CE1 4.05Å; F494-Y496 HydrophobicContact CZ-CE2 4.23Å; F494-Y496 AromaticContact CZ-CZ 3.94Å |
| 497 | S | 42.8 | Very low | 56.2 | Low | 94 Ų | 94 | 91.5 Ų | 91.5 | 66% | 0.657 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -8.2 | -166 | 84.6 | 0 | 0 | 0 | 0 | 117.7 | C495 | C495-S497 PolarHBondContact O-N 2.87Å; C495-S497 VanDerWaalsContact O-N 3.11Å; C495-S497 PolarHBondContact SG-OG 3.23Å; C495-S497 VanDerWaalsContact SG-OG 3.42Å |
| 498 | T | 35.6 | Very low | 56.1 | Low | 79 Ų | 79 | 96.2 Ų | 96.2 | 49% | 0.485 | 48% | 0.48 | S | S | . | . | trans | -145.9 | 131 | -177.6 | 40.4 | 0 | 0 | 0 | 0 | 114.2 | S500 C501 | T498-S500 PolarHBondContact O-N 3.36Å; T498-C501 PolarHBondContact O-N 3.33Å | ||
| 499 | R | 42.1 | Very low | 56.3 | Low | 273 Ų | 273 | 99.2 Ų | 99.2 | 100% | 1.03 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 5 | 175.3 | -85.3 | -177.5 | 169.9 | 162.9 | -3 | 115.1 | ||
| 500 | S | 38.8 | Very low | 56.6 | Low | 98 Ų | 98 | 94 Ų | 94 | 69% | 0.685 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.9 | 20.3 | -178.1 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | T498 K502 | T498-S500 PolarHBondContact O-N 3.36Å; S500-K502 PolarHBondContact O-N 2.92Å |
| 501 | C | 39.9 | Very low | 57.1 | Low | 66 Ų | 66 | 94.8 Ų | 94.8 | 45% | 0.446 | 48% | 0.48 | S | S | . | . | trans | -69 | 100.3 | 175.6 | -84.6 | 0 | 0 | 0 | 0 | 111.7 | T498 L503 | T498-C501 PolarHBondContact O-N 3.33Å; C501-L503 PolarHBondContact O-N 3.43Å | ||
| 502 | K | 40.1 | Very low | 58.8 | Low | 166 Ų | 166 | 95 Ų | 95 | 72% | 0.722 | 48% | 0.481 | S | S | * | . | trans | -63 | 112.7 | 158.7 | -75.6 | -176.9 | 178.5 | 179.3 | 0 | 108 | S500 Y504 | S500-K502 PolarHBondContact O-N 2.92Å; K502-Y504 HydrophobicContact CB-CD2 4.18Å; K502-Y504 HydrophobicContact CB-CE2 3.64Å; K502-Y504 HydrophobicContact CD-CE2 4.35Å; K502-Y504 WeakPolarHBondContact O-CD2 3.47Å; K502-Y504 PolarHBondContact O-N 2.8Å | ||
| 503 | L | 45.1 | Very low | 60.8 | Low | 71 Ų | 71 | 97.2 Ų | 97.2 | 37% | 0.372 | 49% | 0.49 | S | S | . | . | trans | -77.1 | 86.4 | -175.2 | -157.9 | 61.9 | 0 | 0 | 0 | 108.7 | C501 R505 | C501-L503 PolarHBondContact O-N 3.43Å; L503-R505 VanDerWaalsContact C-N 3.27Å; L503-R505 HydrophobicContact CB-CG 4.34Å; L503-R505 HydrophobicContact CD2-CG 4.19Å; L503-R505 HydrophobicContact CG-CG 3.73Å; L503-R505 PolarHBondContact O-N 3.29Å | ||
| 504 | Y | 44.4 | Very low | 63.2 | Low | 148 Ų | 148 | 88.4 Ų | 88.4 | 58% | 0.58 | 47% | 0.47 | S | S | * | . | trans | -75.8 | 86.6 | 174.5 | -70.1 | -77.6 | 0 | 0 | 0 | 108.9 | G492 K502 Y506 | G492-Y504 WeakPolarHBondContact CA-O 3.37Å; K502-Y504 HydrophobicContact CB-CD2 4.18Å; K502-Y504 HydrophobicContact CB-CE2 3.64Å; K502-Y504 HydrophobicContact CD-CE2 4.35Å; K502-Y504 WeakPolarHBondContact O-CD2 3.47Å; K502-Y504 PolarHBondContact O-N 2.8Å; Y504-Y506 CarbonylContact C-O 3.37Å | ||
| 505 | R | 70.8 | Confident | 65.5 | Low | 28 Ų | 28 | 90.8 Ų | 90.8 | 11% | 0.106 | 48% | 0.483 | C | S | . | . | trans | -75.8 | -52.3 | -173.7 | -70.2 | 174.5 | 176.4 | -167.3 | -4.1 | 111.6 | Y258 F487 G491 G492 L503 V513 | Y258-R505 WeakPolarHBondContact OH-CD 3.39Å; Y258-R505 PolarHBondContact OH-NH1 3.07Å; F487-R505 WeakPolarHBondContact O-CD 3.25Å; F487-R505 PolarHBondContact O-NE 3.13Å; F487-R505 PolarHBondContact O-NH1 3.08Å; G491-R505 CarbonylContact C-O 3.54Å; G491-R505 WeakPolarHBondContact CA-O 3.28Å; G491-R505 WeakPolarHBondContact O-CG 3.32Å; G492-R505 PolarHBondContact N-O 3.44Å; L503-R505 VanDerWaalsContact C-N 3.27Å; L503-R505 HydrophobicContact CB-CG 4.34Å; L503-R505 HydrophobicContact CD2-CG 4.19Å; L503-R505 HydrophobicContact CG-CG 3.73Å; L503-R505 PolarHBondContact O-N 3.29Å; R505-V513 WeakPolarHBondContact O-CG2 3.44Å | ||
| 506 | Y | 88.9 | Confident | 68.2 | Low | 11 Ų | 11 | 89.9 Ų | 89.9 | 4% | 0.043 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -92.9 | 168.6 | 161.5 | -69.9 | -99.9 | 0 | 0 | 0 | 107.8 | S260 T261 A266 N270 D486 Y504 G510 H511 | S260-Y506 VanDerWaalsContact O-CD2 3.23Å; S260-Y506 WeakPolarHBondContact O-CD2 3.42Å; T261-Y506 HydrophobicContact CG2-CD1 3.93Å; T261-Y506 HydrophobicContact CG2-CE1 3.46Å; T261-Y506 VanDerWaalsContact CG2-CE1 3.46Å; T261-Y506 HydrophobicContact CG2-CE2 4.14Å; T261-Y506 HydrophobicContact CG2-CG 4.42Å; A266-Y506 HydrophobicContact CB-CD1 4.02Å; A266-Y506 HydrophobicContact CB-CE1 3.79Å; N270-Y506 WeakPolarHBondContact CB-OH 3.46Å; N270-Y506 WeakPolarHBondContact ND2-CE1 3.3Å; N270-Y506 PolarHBondContact ND2-OH 3.02Å; N270-Y506 VanDerWaalsContact ND2-OH 3.1Å; D486-Y506 VanDerWaalsContact CG-OH 3.24Å; D486-Y506 PolarHBondContact OD1-OH 3.45Å; D486-Y506 PolarHBondContact OD2-OH 2.9Å; Y504-Y506 CarbonylContact C-O 3.37Å; Y506-G510 WeakPolarHBondContact CD1-O 3.49Å; Y506-H511 CarbonylContact C-O 3.6Å; Y506-H511 WeakPolarHBondContact CA-O 3.42Å; Y506-H511 WeakPolarHBondContact CB-O 3.13Å; Y506-H511 WeakPolarHBondContact CD1-O 3.4Å |
| 507 | T | 89.2 | Confident | 70.6 | Confident | 51 Ų | 51 | 85.6 Ų | 85.6 | 31% | 0.313 | 46% | 0.463 | S | S | . | . | trans | -59.4 | 164.7 | 167.7 | 58.9 | 0 | 0 | 0 | 0 | 110.2 | D509 G510 H511 V513 | T507-D509 WeakPolarHBondContact CB-OD1 3.36Å; T507-D509 PolarHBondContact O-N 3.06Å; T507-D509 VanDerWaalsContact O-N 3.09Å; T507-D509 PolarHBondContact OG1-OD1 2.84Å; T507-G510 PolarHBondContact O-N 3.18Å; T507-H511 PolarHBondContact N-O 3.45Å; T507-H511 WeakPolarHBondContact OG1-CA 3.49Å; T507-H511 WeakPolarHBondContact OG1-CB 3.49Å; T507-H511 PolarHBondContact OG1-N 3.11Å; T507-H511 PolarHBondContact OG1-O 2.74Å; T507-V513 HydrophobicContact CG2-CG2 4.46Å | ||
| 508 | A | 85.4 | Confident | 72.6 | Confident | 101 Ų | 101 | 83.9 Ų | 83.9 | 84% | 0.835 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 509 | D | 90.6 | Very high | 75.1 | Confident | 105 Ų | 105 | 89.2 Ų | 89.2 | 56% | 0.561 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -0.1 | 175.5 | 56 | -19.1 | 0 | 0 | 0 | 113.9 | K263 T507 H511 | K263-D509 WeakPolarHBondContact CE-O 3.3Å; T507-D509 WeakPolarHBondContact CB-OD1 3.36Å; T507-D509 PolarHBondContact O-N 3.06Å; T507-D509 VanDerWaalsContact O-N 3.09Å; T507-D509 PolarHBondContact OG1-OD1 2.84Å; D509-H511 IonicContact OD1-CD2 3.32Å; D509-H511 IonicContact OD2-CD2 2.66Å; D509-H511 PolarHBondContact OD2-CD2 3.41Å; D509-H511 VanDerWaalsContact OD2-CD2 3.23Å; D509-H511 IonicContact OD2-NE2 2.69Å |
| 510 | G | 92.1 | Very high | 77.3 | Confident | 13 Ų | 13 | 77.1 Ų | 77.1 | 13% | 0.134 | 42% | 0.421 | C | S | . | . | S | Bend | trans | 94.9 | 11.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | T261 A266 Y506 T507 | T261-G510 PolarHBondContact OG1-O 2.83Å; A266-G510 WeakPolarHBondContact CB-O 3.41Å; Y506-G510 WeakPolarHBondContact CD1-O 3.49Å; T507-G510 PolarHBondContact O-N 3.18Å |
| 511 | H | 95 | Very high | 79.8 | Confident | 41 Ų | 41 | 74.7 Ų | 74.7 | 19% | 0.19 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -87.4 | 164.8 | 176.9 | -67.3 | -81.9 | 0 | 0 | 0 | 112.6 | K263 E354 E358 Y506 T507 D509 | K263-H511 VanDerWaalsContact CD-CE1 3.46Å; K263-H511 WeakPolarHBondContact CD-CE1 3.3Å; K263-H511 WeakPolarHBondContact CE-NE2 3.24Å; K263-H511 PolarHBondContact NZ-CE1 3.38Å; K263-H511 VanDerWaalsContact NZ-CE1 3.3Å; K263-H511 PolarHBondContact NZ-NE2 2.91Å; E354-H511 WeakPolarHBondContact OE1-CA 3.16Å; E354-H511 WeakPolarHBondContact OE1-CB 3.41Å; E354-H511 IonicContact OE1-CE1 2.68Å; E354-H511 IonicContact OE1-CG 2.9Å; E354-H511 IonicContact OE1-ND1 2.72Å; E354-H511 PolarHBondContact OE1-ND1 3.16Å; E358-H511 IonicContact OE1-CE1 3.57Å; E358-H511 PolarHBondContact OE1-CE1 3.07Å; E358-H511 IonicContact OE1-ND1 2.69Å; E358-H511 PolarHBondContact OE1-ND1 3.38Å; Y506-H511 CarbonylContact C-O 3.6Å; Y506-H511 WeakPolarHBondContact CA-O 3.42Å; Y506-H511 WeakPolarHBondContact CB-O 3.13Å; Y506-H511 WeakPolarHBondContact CD1-O 3.4Å; T507-H511 PolarHBondContact N-O 3.45Å; T507-H511 WeakPolarHBondContact OG1-CA 3.49Å; T507-H511 WeakPolarHBondContact OG1-CB 3.49Å; T507-H511 PolarHBondContact OG1-N 3.11Å; T507-H511 PolarHBondContact OG1-O 2.74Å; D509-H511 IonicContact OD1-CD2 3.32Å; D509-H511 IonicContact OD2-CD2 2.66Å; D509-H511 PolarHBondContact OD2-CD2 3.41Å; D509-H511 VanDerWaalsContact OD2-CD2 3.23Å; D509-H511 IonicContact OD2-NE2 2.69Å |
| 512 | C | 94 | Very high | 82.3 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.034 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 138.6 | 176.4 | -68.1 | 0 | 0 | 0 | 0 | 111.3 | A266 N270 P350 C351 E354 | A266-C512 PolarHBondContact O-SG 2.69Å; N270-C512 PolarHBondContact OD1-SG 2.82Å; P350-C512 HydrophobicContact CB-CB 3.94Å; C351-C512 HydrophobicContact CB-CB 4.15Å; E354-C512 WeakPolarHBondContact OE2-CB 3.29Å; E354-C512 PolarHBondContact OE2-N 3.26Å |
| 513 | V | 90.8 | Very high | 85 | Confident | 68 Ų | 68 | 68.7 Ų | 68.7 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -71.8 | 137.6 | 176.2 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | R505 T507 | R505-V513 WeakPolarHBondContact O-CG2 3.44Å; T507-V513 HydrophobicContact CG2-CG2 4.46Å |
| 514 | G | 88.3 | Confident | 87.5 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 50% | 0.495 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 117 | 164.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.5 | C351 | C351-G514 WeakPolarHBondContact CB-O 3.17Å; C351-G514 PolarHBondContact SG-O 2.71Å; C351-G514 VanDerWaalsContact SG-O 3.35Å |
| 515 | E | 89.2 | Confident | 90 | Very high | 163 Ų | 163 | 66.5 Ų | 66.5 | 76% | 0.762 | 38% | 0.378 | S | S | * | . | trans | -96.4 | 144.6 | -177.1 | -64.6 | 179.3 | 179.5 | 0 | 0 | 112.3 | E517 | E515-E517 PolarHBondContact O-N 3.05Š| ||
| 516 | V | 90.6 | Very high | 91.3 | Very high | 49 Ų | 49 | 65.5 Ų | 65.5 | 30% | 0.297 | 38% | 0.375 | S | S | . | . | trans | -79 | 103.5 | 175.6 | 173.7 | 0 | 0 | 0 | 0 | 108.9 | C351 E352 K355 V518 | C351-V516 HydrophobicContact CB-CG2 4.15Å; E352-V516 HydrophobicContact CG-CB 4.49Å; E352-V516 HydrophobicContact CG-CG1 4.22Å; E352-V516 HydrophobicContact CG-CG2 4.27Å; K355-V516 HydrophobicContact CD-CB 4.48Å; K355-V516 HydrophobicContact CD-CG1 4.21Å; K355-V516 HydrophobicContact CD-CG2 3.82Å; K355-V516 VanDerWaalsContact CE-CG2 3.49Å; K355-V516 HydrophobicContact CG-CG2 4.47Å; V516-V518 WeakPolarHBondContact CG1-O 3.48Å | ||
| 517 | E | 89.2 | Confident | 91.7 | Very high | 119 Ų | 119 | 72.2 Ų | 72.2 | 56% | 0.556 | 40% | 0.404 | S | S | * | . | trans | -81.6 | -31.4 | -177.9 | -66.6 | 174.3 | 172.4 | 0 | 0 | 112.3 | R346 K349 E515 | R346-E517 IonicContact NH2-OE2 2.84Å; K349-E517 WeakPolarHBondContact CE-OE1 3.36Å; K349-E517 WeakPolarHBondContact CE-OE2 3.21Å; K349-E517 IonicContact NZ-OE1 3.35Å; K349-E517 PolarHBondContact NZ-OE1 2.93Å; K349-E517 IonicContact NZ-OE2 3.39Å; K349-E517 PolarHBondContact NZ-OE2 3.42Å; E515-E517 PolarHBondContact O-N 3.05Å | ||
| 518 | V | 85.8 | Confident | 92 | Very high | 59 Ų | 59 | 71.4 Ų | 71.4 | 36% | 0.358 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -137.4 | 142.5 | -178.7 | -169.9 | 0 | 0 | 0 | 0 | 110 | N343 E352 V516 P520 | N343-V518 WeakPolarHBondContact ND2-CG1 3.36Å; E352-V518 PolarHBondContact OE1-N 3.14Å; V516-V518 WeakPolarHBondContact CG1-O 3.48Å; V518-P520 VanDerWaalsContact O-CD 3.29Å; V518-P520 WeakPolarHBondContact O-CD 3.31Å |
| 519 | K | 87.9 | Confident | 92.6 | Very high | 190 Ų | 190 | 72.6 Ų | 72.6 | 83% | 0.826 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 116.5 | 169.6 | -172.3 | 175.8 | -179.1 | 178.4 | 0 | 108.7 | ||
| 520 | P | 87.9 | Confident | 92.8 | Very high | 19 Ų | 19 | 69 Ų | 69 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 152.3 | 179.4 | 25.4 | -33 | 0 | 0 | 0 | 110.7 | L348 I356 V518 A522 | L348-P520 HydrophobicContact CD1-CB 4.2Å; L348-P520 HydrophobicContact CD2-CB 4.28Å; I356-P520 HydrophobicContact CD1-CB 3.71Å; I356-P520 HydrophobicContact CD1-CG 4.19Å; I356-P520 HydrophobicContact CG1-CB 3.83Å; I356-P520 HydrophobicContact CG1-CG 3.73Å; V518-P520 VanDerWaalsContact O-CD 3.29Å; V518-P520 WeakPolarHBondContact O-CD 3.31Å; P520-A522 PolarHBondContact O-N 3.48Å |
| 521 | P | 90.3 | Very high | 92.9 | Very high | 48 Ų | 48 | 70.8 Ų | 70.8 | 31% | 0.312 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 135.1 | 170.4 | -21.8 | 32.8 | 0 | 0 | 0 | 110.5 | M340 | M340-P521 HydrophobicContact CB-CB 4.39Å; M340-P521 HydrophobicContact CB-CG 4.37Å |
| 522 | A | 92.6 | Very high | 92.8 | Very high | 81 Ų | 81 | 75.3 Ų | 75.3 | 67% | 0.669 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 142.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P520 Q524 | P520-A522 PolarHBondContact O-N 3.48Å; A522-Q524 PolarHBondContact O-N 3.34Å |
| 523 | P | 96.7 | Very high | 92.8 | Very high | 25 Ų | 25 | 80.3 Ų | 80.3 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 131.2 | 175.4 | 27.8 | -34.3 | 0 | 0 | 0 | 110 | F337 V339 I356 L360 R525 | F337-P523 HydrophobicContact CB-CB 4.44Å; F337-P523 HydrophobicContact CD1-CB 4.1Å; V339-P523 HydrophobicContact CG2-CB 3.95Å; I356-P523 HydrophobicContact CG2-CB 4.12Å; I356-P523 HydrophobicContact CG2-CG 4.13Å; L360-P523 HydrophobicContact CD1-CB 4.28Å; L360-P523 HydrophobicContact CD1-CG 4.49Å; L360-P523 HydrophobicContact CD2-CB 4.02Å; L360-P523 HydrophobicContact CD2-CG 3.68Å; L360-P523 HydrophobicContact CG-CB 4.39Å; L360-P523 HydrophobicContact CG-CG 4.07Å; P523-R525 PolarHBondContact O-N 3.36Å |
| 524 | Q | 97.1 | Very high | 93 | Very high | 112 Ų | 112 | 77 Ų | 77 | 52% | 0.523 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 112.6 | 178.3 | 179.1 | -177.7 | 12.8 | 0 | 0 | 109.5 | F337 K338 A522 L526 | F337-Q524 CarbonylContact C-O 3.47Å; F337-Q524 WeakPolarHBondContact CA-O 3.11Å; K338-Q524 HydrophobicContact CB-CB 4.26Å; K338-Q524 PolarHBondContact N-O 3.18Å; K338-Q524 PolarHBondContact O-N 3.12Å; A522-Q524 PolarHBondContact O-N 3.34Å; Q524-L526 PolarHBondContact O-N 3.3Å |
| 525 | R | 97.7 | Very high | 93.4 | Very high | 61 Ų | 61 | 76.3 Ų | 76.3 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 122.9 | 169.5 | -171.3 | 74 | 172.3 | 85 | 12.4 | 109.5 | C335 W336 F337 E366 E371 P523 | C335-R525 PolarHBondContact SG-NH2 3.38Å; W336-R525 PolarHBondContact O-NH1 3.22Å; F337-R525 HydrophobicContact CD1-CB 4.19Å; F337-R525 HydrophobicContact CE1-CB 3.94Å; F337-R525 HydrophobicContact CE1-CG 4.2Å; E366-R525 PolarHBondContact O-NH2 2.98Å; E371-R525 IonicContact OE1-CZ 3.72Å; E371-R525 IonicContact OE1-NH1 3.91Å; E371-R525 PolarHBondContact OE1-NH1 2.98Å; E371-R525 IonicContact OE1-NH2 2.68Å; E371-R525 PolarHBondContact OE1-NH2 3.21Å; E371-R525 IonicContact OE2-CZ 2.7Å; E371-R525 IonicContact OE2-NH2 3.23Å; E371-R525 PolarHBondContact OE2-NH2 2.96Å; P523-R525 PolarHBondContact O-N 3.36Å |
| 526 | L | 98.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 72.2 Ų | 72.2 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | trans | -74.3 | 138.3 | 172.3 | -60 | -170.5 | 0 | 0 | 0 | 109.2 | W336 K338 A404 I405 Q524 W528 | W336-L526 HydrophobicContact CB-CB 4.18Å; W336-L526 HydrophobicContact CB-CD1 3.93Å; W336-L526 HydrophobicContact CB-CG 4.28Å; W336-L526 WeakPolarHBondContact O-CB 3.32Å; W336-L526 PolarHBondContact O-N 2.74Å; K338-L526 HydrophobicContact CB-CD2 3.94Å; A404-L526 HydrophobicContact CB-CD1 4.19Å; A404-L526 HydrophobicContact CB-CD2 3.87Å; I405-L526 HydrophobicContact CD1-CD1 4.17Å; I405-L526 HydrophobicContact CG1-CD1 3.69Å; Q524-L526 PolarHBondContact O-N 3.3Å; L526-W528 HydrophobicContact CB-CZ2 4.18Å; L526-W528 HydrophobicContact CD1-CZ2 4.27Å | ||
| 527 | K | 96.7 | Very high | 94.1 | Very high | 152 Ų | 152 | 71.9 Ų | 71.9 | 66% | 0.661 | 37% | 0.374 | S | S | * | . | trans | -111.6 | 150.5 | -178.5 | -65.5 | -174.8 | 179 | -175.9 | 0 | 110 | V397 S401 | V397-K527 HydrophobicContact CG2-CB 3.82Å; V397-K527 WeakPolarHBondContact CG2-O 3.19Å; S401-K527 WeakPolarHBondContact CB-O 3.41Å; S401-K527 PolarHBondContact OG-N 3.47Å; S401-K527 PolarHBondContact OG-O 3.24Å | ||
| 528 | W | 97 | Very high | 94.5 | Very high | 35 Ų | 35 | 66.2 Ų | 66.2 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | trans | -135.6 | 146.6 | -176.9 | -49.4 | 93.7 | 0 | 0 | 0 | 110.3 | W336 E371 L374 F393 N398 L402 I405 L526 L530 | W336-W528 HydrophobicContact CB-CZ2 4.38Å; W336-W528 HydrophobicContact CG-CZ2 4.43Å; E371-W528 PolarHBondContact OE1-NE1 3.44Å; L374-W528 HydrophobicContact CD1-CD2 3.5Å; L374-W528 HydrophobicContact CD1-CE3 4.1Å; L374-W528 HydrophobicContact CD1-CG 3.74Å; L374-W528 HydrophobicContact CD1-CH2 4.37Å; L374-W528 HydrophobicContact CD1-CZ2 3.83Å; F393-W528 HydrophobicContact CD1-CE3 4.43Å; F393-W528 HydrophobicContact CD1-CZ3 4.03Å; F393-W528 AromaticContact CE1-CE3 3.8Å; F393-W528 HydrophobicContact CE1-CE3 3.8Å; F393-W528 AromaticContact CE1-CZ3 3.61Å; F393-W528 HydrophobicContact CE1-CZ3 3.61Å; N398-W528 WeakPolarHBondContact OD1-CA 3.37Å; L402-W528 HydrophobicContact CB-CZ3 4.47Å; I405-W528 HydrophobicContact CD1-CH2 3.77Å; I405-W528 HydrophobicContact CD1-CZ2 3.9Å; L526-W528 HydrophobicContact CB-CZ2 4.18Å; L526-W528 HydrophobicContact CD1-CZ2 4.27Å; W528-L530 HydrophobicContact CB-CD1 3.99Å; W528-L530 HydrophobicContact CB-CD2 4.25Å; W528-L530 HydrophobicContact CB-CG 3.79Å | ||
| 529 | H | 96.3 | Very high | 95 | Very high | 126 Ų | 126 | 67.2 Ų | 67.2 | 58% | 0.583 | 35% | 0.351 | S | S | * | . | trans | -108.8 | 100.6 | 167.1 | 177.7 | 63.7 | 0 | 0 | 0 | 107.4 | V397 N398 P531 | V397-H529 HydrophobicContact CG1-CB 3.78Å; N398-H529 PolarHBondContact ND2-O 3.4Å; N398-H529 PolarHBondContact OD1-N 3.49Å; N398-H529 PolarHBondContact OD1-O 2.99Å; H529-P531 WeakPolarHBondContact O-CD 3.43Å | ||
| 530 | L | 95.5 | Very high | 95.4 | Very high | 29 Ų | 29 | 63 Ų | 63 | 15% | 0.152 | 33% | 0.332 | C | S | . | . | trans | -118.9 | 90.9 | -175.2 | -58.4 | 175.9 | 0 | 0 | 0 | 108.4 | A370 E371 L374 F393 W528 C534 I538 | A370-L530 HydrophobicContact CB-CB 4.47Å; A370-L530 HydrophobicContact CB-CD1 3.82Å; E371-L530 HydrophobicContact CB-CD1 4.37Å; L374-L530 HydrophobicContact CD1-CD1 4.4Å; L374-L530 HydrophobicContact CD2-CD1 4.13Å; L374-L530 HydrophobicContact CD2-CD2 4.11Å; L374-L530 HydrophobicContact CG-CD1 4.37Å; F393-L530 HydrophobicContact CZ-CD2 4.41Å; W528-L530 HydrophobicContact CB-CD1 3.99Å; W528-L530 HydrophobicContact CB-CD2 4.25Å; W528-L530 HydrophobicContact CB-CG 3.79Å; L530-C534 HydrophobicContact CB-CB 4.26Å; L530-C534 HydrophobicContact CD2-CB 4.24Å; L530-I538 HydrophobicContact CD1-CD1 4.35Å; L530-I538 HydrophobicContact CD2-CD1 4.31Å | ||
| 531 | P | 94 | Very high | 95.9 | Very high | 50 Ų | 50 | 62.1 Ų | 62.1 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | trans | -64.2 | 165.2 | 171.1 | 27.9 | -35.6 | 0 | 0 | 0 | 111.2 | H529 E533 C534 C535 | H529-P531 WeakPolarHBondContact O-CD 3.43Å; P531-E533 PolarHBondContact O-N 3.46Å; P531-E533 VanDerWaalsContact O-N 3.08Å; P531-C534 HydrophobicContact CG-CB 4.41Å; P531-C534 WeakPolarHBondContact O-CA 3.23Å; P531-C534 VanDerWaalsContact O-CB 3.26Å; P531-C534 WeakPolarHBondContact O-CB 3.23Å; P531-C534 PolarHBondContact O-N 3.41Å; P531-C535 PolarHBondContact O-N 3.45Å; P531-C535 VanDerWaalsContact O-N 3.14Å; P531-C535 PolarHBondContact O-SG 3.25Å | ||
| 532 | D | 94.4 | Very high | 96.3 | Very high | 136 Ų | 136 | 60.4 Ų | 60.4 | 73% | 0.727 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -55 | -32.9 | -174.2 | -62.4 | -25.9 | 0 | 0 | 0 | 114.3 | C535 S536 | D532-C535 WeakPolarHBondContact O-CB 3.42Å; D532-C535 PolarHBondContact O-N 3.45Å; D532-S536 PolarHBondContact O-N 2.89Å; D532-S536 PolarHBondContact O-OG 2.94Å |
| 533 | E | 93.2 | Very high | 96.5 | Very high | 110 Ų | 110 | 60 Ų | 60 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 172.3 | -175.4 | -175 | -171.2 | 0 | 0 | 111.4 | H392 P531 C535 S536 I537 | H392-E533 IonicContact CE1-OE2 3.67Å; P531-E533 PolarHBondContact O-N 3.46Å; P531-E533 VanDerWaalsContact O-N 3.08Å; E533-C535 PolarHBondContact O-N 2.82Å; E533-S536 PolarHBondContact O-N 3.5Å; E533-I537 WeakPolarHBondContact O-CG1 3.32Å; E533-I537 PolarHBondContact O-N 2.99Å; E533-I537 VanDerWaalsContact O-N 3.13Å |
| 534 | C | 95.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 175.8 | -69.5 | 0 | 0 | 0 | 0 | 111.2 | F388 H392 L530 P531 S536 I537 I538 | F388-C534 HydrophobicContact CZ-CB 3.99Å; H392-C534 PolarHBondContact ND1-SG 3.03Å; L530-C534 HydrophobicContact CB-CB 4.26Å; L530-C534 HydrophobicContact CD2-CB 4.24Å; P531-C534 HydrophobicContact CG-CB 4.41Å; P531-C534 WeakPolarHBondContact O-CA 3.23Å; P531-C534 VanDerWaalsContact O-CB 3.26Å; P531-C534 WeakPolarHBondContact O-CB 3.23Å; P531-C534 PolarHBondContact O-N 3.41Å; C534-S536 VanDerWaalsContact C-N 3.32Å; C534-S536 PolarHBondContact O-N 3.11Å; C534-I537 PolarHBondContact O-N 2.87Å; C534-I538 WeakPolarHBondContact O-CB 3.49Å; C534-I538 WeakPolarHBondContact O-CD1 3.07Å; C534-I538 VanDerWaalsContact O-CG1 3.23Å; C534-I538 WeakPolarHBondContact O-CG1 3.38Å; C534-I538 PolarHBondContact O-N 2.95Å |
| 535 | C | 95.5 | Very high | 96.6 | Very high | 32 Ų | 32 | 56 Ų | 56 | 22% | 0.216 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.7 | -46.7 | 178.8 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | A370 P531 D532 E533 I537 I538 L539 | A370-C535 HydrophobicContact CB-CB 3.93Å; A370-C535 WeakPolarHBondContact CB-SG 3.21Å; P531-C535 PolarHBondContact O-N 3.45Å; P531-C535 VanDerWaalsContact O-N 3.14Å; P531-C535 PolarHBondContact O-SG 3.25Å; D532-C535 WeakPolarHBondContact O-CB 3.42Å; D532-C535 PolarHBondContact O-N 3.45Å; E533-C535 PolarHBondContact O-N 2.82Å; C535-I537 PolarHBondContact O-N 2.91Å; C535-I538 PolarHBondContact O-N 2.97Å; C535-L539 WeakPolarHBondContact O-CG 3.48Å; C535-L539 PolarHBondContact O-N 2.5Å |
| 536 | S | 96.4 | Very high | 96.6 | Very high | 77 Ų | 77 | 56.8 Ų | 56.8 | 54% | 0.538 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 179.9 | -58 | 0 | 0 | 0 | 0 | 112.3 | D532 E533 C534 K540 | D532-S536 PolarHBondContact O-N 2.89Å; D532-S536 PolarHBondContact O-OG 2.94Å; E533-S536 PolarHBondContact O-N 3.5Å; C534-S536 VanDerWaalsContact C-N 3.32Å; C534-S536 PolarHBondContact O-N 3.11Å; S536-K540 PolarHBondContact O-N 2.91Å; S536-K540 VanDerWaalsContact O-N 3.1Å |
| 537 | I | 97.5 | Very high | 96.6 | Very high | 43 Ų | 43 | 63.3 Ų | 63.3 | 22% | 0.221 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 177.8 | -65.7 | -63.2 | 0 | 0 | 0 | 111.8 | W380 F388 E533 C534 C535 L539 K540 C541 | W380-I537 HydrophobicContact CH2-CG2 4.02Å; W380-I537 HydrophobicContact CZ3-CG2 3.92Å; F388-I537 HydrophobicContact CD2-CB 4.39Å; F388-I537 HydrophobicContact CD2-CG2 3.85Å; F388-I537 HydrophobicContact CE2-CB 3.82Å; F388-I537 HydrophobicContact CE2-CG1 4.07Å; F388-I537 HydrophobicContact CE2-CG2 3.71Å; F388-I537 HydrophobicContact CG-CG2 4.38Å; F388-I537 HydrophobicContact CZ-CB 4.22Å; F388-I537 HydrophobicContact CZ-CG2 4.11Å; E533-I537 WeakPolarHBondContact O-CG1 3.32Å; E533-I537 PolarHBondContact O-N 2.99Å; E533-I537 VanDerWaalsContact O-N 3.13Å; C534-I537 PolarHBondContact O-N 2.87Å; C535-I537 PolarHBondContact O-N 2.91Å; I537-L539 PolarHBondContact O-N 3.09Å; I537-K540 WeakPolarHBondContact O-CB 3.49Å; I537-K540 PolarHBondContact O-N 2.85Å; I537-C541 PolarHBondContact O-N 2.72Å; I537-C541 PolarHBondContact O-SG 3.35Å |
| 538 | I | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 177.8 | -70.7 | 162.6 | 0 | 0 | 0 | 110.4 | A370 L374 L377 L530 C534 C535 K540 C541 V542 | A370-I538 HydrophobicContact CB-CD1 4.15Å; L374-I538 HydrophobicContact CD2-CD1 3.72Å; L377-I538 HydrophobicContact CD1-CD1 4.5Å; L377-I538 HydrophobicContact CD1-CG1 4.15Å; L377-I538 HydrophobicContact CD2-CG1 4.03Å; L377-I538 HydrophobicContact CG-CG1 4.16Å; L530-I538 HydrophobicContact CD1-CD1 4.35Å; L530-I538 HydrophobicContact CD2-CD1 4.31Å; C534-I538 WeakPolarHBondContact O-CB 3.49Å; C534-I538 WeakPolarHBondContact O-CD1 3.07Å; C534-I538 VanDerWaalsContact O-CG1 3.23Å; C534-I538 WeakPolarHBondContact O-CG1 3.38Å; C534-I538 PolarHBondContact O-N 2.95Å; C535-I538 PolarHBondContact O-N 2.97Å; I538-K540 VanDerWaalsContact C-N 3.3Å; I538-K540 PolarHBondContact O-N 3.44Å; I538-C541 WeakPolarHBondContact O-CB 3.49Å; I538-C541 PolarHBondContact O-N 3.32Å; I538-C541 VanDerWaalsContact O-N 3.08Å; I538-V542 PolarHBondContact O-N 3.34Å |
| 539 | L | 96.7 | Very high | 96.6 | Very high | 79 Ų | 79 | 57.8 Ų | 57.8 | 41% | 0.414 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 176.5 | -70 | 172.8 | 0 | 0 | 0 | 112.2 | D369 Y373 C535 I537 C541 V542 V543 | D369-L539 HydrophobicContact CB-CD2 4.48Å; Y373-L539 HydrophobicContact CD2-CD2 3.84Å; Y373-L539 HydrophobicContact CE2-CD2 4.06Å; C535-L539 WeakPolarHBondContact O-CG 3.48Å; C535-L539 PolarHBondContact O-N 2.5Å; I537-L539 PolarHBondContact O-N 3.09Å; L539-C541 VanDerWaalsContact C-N 3.34Å; L539-C541 PolarHBondContact O-N 3.3Å; L539-V542 WeakPolarHBondContact O-CB 3.14Å; L539-V542 PolarHBondContact O-N 2.93Å; L539-V543 PolarHBondContact O-N 2.79Å; L539-V543 VanDerWaalsContact O-N 3.16Å |
| 540 | K | 97.1 | Very high | 96.7 | Very high | 101 Ų | 101 | 59.2 Ų | 59.2 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 172.5 | -177.6 | -179.1 | 176.5 | -179.9 | 0 | 112 | S536 I537 I538 V542 V543 E544 | S536-K540 PolarHBondContact O-N 2.91Å; S536-K540 VanDerWaalsContact O-N 3.1Å; I537-K540 WeakPolarHBondContact O-CB 3.49Å; I537-K540 PolarHBondContact O-N 2.85Å; I538-K540 VanDerWaalsContact C-N 3.3Å; I538-K540 PolarHBondContact O-N 3.44Å; K540-V542 VanDerWaalsContact C-N 3.3Å; K540-V542 PolarHBondContact O-N 2.84Å; K540-V543 PolarHBondContact O-N 3.36Å; K540-E544 WeakPolarHBondContact CE-OE1 3.39Å; K540-E544 PolarHBondContact O-N 2.89Å |
| 541 | C | 98 | Very high | 96.8 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.014 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.1 | -37.8 | 176.6 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | A376 W380 I537 I538 L539 E544 A545 | A376-C541 HydrophobicContact CB-CB 3.9Å; W380-C541 VanDerWaalsContact CD2-SG 3.52Å; W380-C541 VanDerWaalsContact CE3-SG 3.54Å; I537-C541 PolarHBondContact O-N 2.72Å; I537-C541 PolarHBondContact O-SG 3.35Å; I538-C541 WeakPolarHBondContact O-CB 3.49Å; I538-C541 PolarHBondContact O-N 3.32Å; I538-C541 VanDerWaalsContact O-N 3.08Å; L539-C541 VanDerWaalsContact C-N 3.34Å; L539-C541 PolarHBondContact O-N 3.3Å; C541-E544 PolarHBondContact O-N 3.07Å; C541-A545 WeakPolarHBondContact O-CB 3.4Å; C541-A545 PolarHBondContact O-N 3.44Å |
| 542 | V | 98 | Very high | 97 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 174.2 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | Y373 A376 Y443 I538 L539 K540 E544 A545 E546 | Y373-V542 HydrophobicContact CD1-CG2 4.23Å; Y373-V542 HydrophobicContact CD2-CG2 4.02Å; Y373-V542 HydrophobicContact CG-CG2 3.66Å; A376-V542 HydrophobicContact CB-CG2 3.88Å; Y443-V542 HydrophobicContact CD1-CG1 4.43Å; I538-V542 PolarHBondContact O-N 3.34Å; L539-V542 WeakPolarHBondContact O-CB 3.14Å; L539-V542 PolarHBondContact O-N 2.93Å; K540-V542 VanDerWaalsContact C-N 3.3Å; K540-V542 PolarHBondContact O-N 2.84Å; V542-E544 VanDerWaalsContact C-N 3.31Å; V542-E544 PolarHBondContact O-N 3.29Å; V542-A545 PolarHBondContact O-N 2.88Å; V542-E546 HydrophobicContact CG1-CG 4.39Å; V542-E546 WeakPolarHBondContact O-CG 3.32Å; V542-E546 PolarHBondContact O-N 2.87Å |
| 543 | V | 97.8 | Very high | 97.1 | Very high | 73 Ų | 73 | 52.9 Ų | 52.9 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 178.8 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | L539 K540 K547 | L539-V543 PolarHBondContact O-N 2.79Å; L539-V543 VanDerWaalsContact O-N 3.16Å; K540-V543 PolarHBondContact O-N 3.36Å; V543-K547 WeakPolarHBondContact O-CG 3.42Å; V543-K547 PolarHBondContact O-N 3.46Å |
| 544 | E | 97.5 | Very high | 97.3 | Very high | 51 Ų | 51 | 48 Ų | 48 | 24% | 0.238 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.8 | -42.4 | 175.3 | -71.3 | -173 | -154.9 | 0 | 0 | 112 | W380 R384 K540 C541 V542 E546 K547 L548 | W380-E544 VanDerWaalsContact CD1-OE2 3.27Å; W380-E544 PolarHBondContact NE1-OE2 3.18Å; R384-E544 IonicContact NH1-OE1 2.98Å; R384-E544 IonicContact NH1-OE2 3.21Å; K540-E544 WeakPolarHBondContact CE-OE1 3.39Å; K540-E544 PolarHBondContact O-N 2.89Å; C541-E544 PolarHBondContact O-N 3.07Å; V542-E544 VanDerWaalsContact C-N 3.31Å; V542-E544 PolarHBondContact O-N 3.29Å; E544-E546 PolarHBondContact O-N 3.04Å; E544-K547 PolarHBondContact O-N 3.28Å; E544-L548 WeakPolarHBondContact O-CG 3.22Å; E544-L548 PolarHBondContact O-N 3.45Å |
| 545 | A | 98 | Very high | 97.4 | Very high | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M245 A379 C541 V542 K547 L548 M549 | M245-A545 HydrophobicContact CE-CB 4.44Å; A379-A545 HydrophobicContact CB-CB 4.15Å; C541-A545 WeakPolarHBondContact O-CB 3.4Å; C541-A545 PolarHBondContact O-N 3.44Å; V542-A545 PolarHBondContact O-N 2.88Å; A545-K547 VanDerWaalsContact C-N 3.32Å; A545-K547 PolarHBondContact O-N 3.26Å; A545-L548 PolarHBondContact O-N 2.7Å; A545-L548 VanDerWaalsContact O-N 3.14Å; A545-M549 WeakPolarHBondContact O-CG 3.26Å; A545-M549 PolarHBondContact O-N 2.78Å |
| 546 | E | 97.9 | Very high | 97.4 | Very high | 76 Ų | 76 | 46.6 Ų | 46.6 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59 | -40.5 | 175.8 | -77.3 | -177.5 | -172.3 | 0 | 0 | 113 | V542 E544 L548 M549 K550 | V542-E546 HydrophobicContact CG1-CG 4.39Å; V542-E546 WeakPolarHBondContact O-CG 3.32Å; V542-E546 PolarHBondContact O-N 2.87Å; E544-E546 PolarHBondContact O-N 3.04Å; E546-L548 VanDerWaalsContact C-N 3.33Å; E546-M549 HydrophobicContact CB-CE 4.35Å; E546-M549 HydrophobicContact CG-CE 3.95Å; E546-M549 PolarHBondContact O-N 3.25Å; E546-K550 WeakPolarHBondContact O-CB 3.32Å; E546-K550 VanDerWaalsContact O-CG 3.3Å; E546-K550 WeakPolarHBondContact O-CG 3.37Å; E546-K550 PolarHBondContact O-N 3.12Å |
| 547 | K | 97.7 | Very high | 97.4 | Very high | 143 Ų | 143 | 43 Ų | 43 | 62% | 0.622 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -61.2 | -44.4 | 174.8 | -71.7 | 172.7 | -176.2 | -179.4 | 0 | 111.2 | V543 E544 A545 D551 | V543-K547 WeakPolarHBondContact O-CG 3.42Å; V543-K547 PolarHBondContact O-N 3.46Å; E544-K547 PolarHBondContact O-N 3.28Å; A545-K547 VanDerWaalsContact C-N 3.32Å; A545-K547 PolarHBondContact O-N 3.26Å; K547-D551 WeakPolarHBondContact O-CB 3.2Å; K547-D551 PolarHBondContact O-N 2.96Å |
| 548 | L | 97 | Very high | 97.2 | Very high | 46 Ų | 46 | 41.2 Ų | 41.2 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.9 | -41.7 | 179 | -64.3 | 170.7 | 0 | 0 | 0 | 112 | P243 M245 I246 E544 A545 E546 D551 | P243-L548 HydrophobicContact CB-CD1 3.84Å; P243-L548 HydrophobicContact CG-CD1 3.69Å; M245-L548 HydrophobicContact CE-CB 3.87Å; M245-L548 HydrophobicContact CE-CD1 4.35Å; I246-L548 VanDerWaalsContact CD1-C 3.5Å; I246-L548 HydrophobicContact CD1-CB 3.65Å; I246-L548 VanDerWaalsContact CD1-O 3.22Å; I246-L548 WeakPolarHBondContact CD1-O 3.44Å; E544-L548 WeakPolarHBondContact O-CG 3.22Å; E544-L548 PolarHBondContact O-N 3.45Å; A545-L548 PolarHBondContact O-N 2.7Å; A545-L548 VanDerWaalsContact O-N 3.14Å; E546-L548 VanDerWaalsContact C-N 3.33Å; L548-D551 PolarHBondContact O-N 3Å |
| 549 | M | 97.4 | Very high | 97 | Very high | 26 Ų | 26 | 41.5 Ų | 41.5 | 13% | 0.128 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | 178 | -69.4 | -172.7 | -64.5 | 0 | 0 | 111.9 | M245 H439 K441 G442 A545 E546 D551 V552 | M245-M549 HydrophobicContact CE-CG 3.67Å; M245-M549 HydrophobicContact SD-CG 4.16Å; H439-M549 HydrophobicContact CB-CG 4.09Å; H439-M549 HydrophobicContact CB-SD 4.28Å; H439-M549 WeakPolarHBondContact ND1-CG 3.25Å; H439-M549 PolarHBondContact ND1-SD 3.24Å; K441-M549 VanDerWaalsContact C-SD 3.51Å; K441-M549 WeakPolarHBondContact O-CE 3.12Å; G442-M549 PolarHBondContact N-SD 3.49Å; G442-M549 VanDerWaalsContact N-SD 3.4Å; A545-M549 WeakPolarHBondContact O-CG 3.26Å; A545-M549 PolarHBondContact O-N 2.78Å; E546-M549 HydrophobicContact CB-CE 4.35Å; E546-M549 HydrophobicContact CG-CE 3.95Å; E546-M549 PolarHBondContact O-N 3.25Å; M549-D551 PolarHBondContact O-N 2.86Å; M549-V552 PolarHBondContact O-N 2.62Å |
| 550 | K | 97.4 | Very high | 96.8 | Very high | 156 Ų | 156 | 42.3 Ų | 42.3 | 68% | 0.678 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -65.6 | -21.2 | 178.2 | -73.1 | 171.9 | -178.6 | 167.7 | 0 | 113.3 | E546 | E546-K550 WeakPolarHBondContact O-CB 3.32Å; E546-K550 VanDerWaalsContact O-CG 3.3Å; E546-K550 WeakPolarHBondContact O-CG 3.37Å; E546-K550 PolarHBondContact O-N 3.12Å |
| 551 | D | 97.7 | Very high | 96.7 | Very high | 33 Ų | 33 | 42 Ų | 42 | 18% | 0.176 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -3.6 | 180 | -175.5 | 46.3 | 0 | 0 | 0 | 113.3 | K547 L548 M549 K747 V748 S749 | K547-D551 WeakPolarHBondContact O-CB 3.2Å; K547-D551 PolarHBondContact O-N 2.96Å; L548-D551 PolarHBondContact O-N 3Å; M549-D551 PolarHBondContact O-N 2.86Å; D551-K747 CarbonylContact O-C 3.52Å; D551-K747 VanDerWaalsContact O-CA 3.25Å; D551-K747 WeakPolarHBondContact O-CA 3.42Å; D551-K747 WeakPolarHBondContact O-CD 3.28Å; D551-K747 WeakPolarHBondContact OD2-CD 3.23Å; D551-K747 IonicContact OD2-NZ 2.75Å; D551-K747 PolarHBondContact OD2-NZ 2.96Å; D551-V748 PolarHBondContact O-N 3.26Å; D551-S749 WeakPolarHBondContact OD1-CB 2.91Å; D551-S749 PolarHBondContact OD1-N 3.04Å; D551-S749 PolarHBondContact OD1-OG 2.9Å; D551-S749 PolarHBondContact OD2-OG 3.03Å |
| 552 | V | 97.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.03 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.6 | 173.9 | 178 | 0 | 0 | 0 | 0 | 109 | I246 H435 L438 M549 M554 K747 | I246-V552 HydrophobicContact CB-CG2 4.38Å; I246-V552 HydrophobicContact CD1-CG2 3.63Å; I246-V552 HydrophobicContact CG1-CG2 3.85Å; I246-V552 HydrophobicContact CG2-CG2 3.59Å; H435-V552 PolarHBondContact CE1-O 3.21Å; H435-V552 VanDerWaalsContact CE1-O 3.23Å; L438-V552 HydrophobicContact CD2-CG1 4.38Å; M549-V552 PolarHBondContact O-N 2.62Å; V552-M554 HydrophobicContact CG1-CG 4.24Å; V552-M554 HydrophobicContact CG1-SD 3.74Å; V552-K747 HydrophobicContact CG2-CD 4.35Å |
| 553 | E | 97.7 | Very high | 96.3 | Very high | 44 Ų | 44 | 41.8 Ų | 41.8 | 21% | 0.206 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 128.4 | 168.7 | -168.3 | -168.9 | 175.8 | 0 | 0 | 108.4 | S745 A746 V748 S754 A755 S756 | E553-S745 VanDerWaalsContact O-CA 3.27Å; E553-S745 WeakPolarHBondContact O-CA 3.3Å; E553-A746 PolarHBondContact N-O 2.95Å; E553-A746 PolarHBondContact O-N 2.77Å; E553-V748 HydrophobicContact CB-CG2 3.92Å; E553-S754 PolarHBondContact OE1-OG 3.11Å; E553-S754 VanDerWaalsContact OE2-CA 3.26Å; E553-S754 WeakPolarHBondContact OE2-CA 3.5Å; E553-S754 PolarHBondContact OE2-OG 3.24Å; E553-A755 HydrophobicContact CB-CB 4.06Å; E553-A755 HydrophobicContact CG-CB 3.87Å; E553-A755 WeakPolarHBondContact O-CB 3.05Å; E553-A755 PolarHBondContact OE2-N 2.89Å; E553-S756 VanDerWaalsContact OE1-CB 3.23Å; E553-S756 WeakPolarHBondContact OE1-CB 3.35Å; E553-S756 PolarHBondContact OE1-N 2.85Å; E553-S756 PolarHBondContact OE1-OG 3.38Å |
| 554 | M | 97.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.8 | 173 | -58.3 | -59.8 | -66.6 | 0 | 0 | 109.9 | Y251 D431 A434 H435 L438 V552 L556 I744 S745 | Y251-M554 HydrophobicContact CE1-CE 3.57Å; Y251-M554 WeakPolarHBondContact OH-CE 3.4Å; D431-M554 WeakPolarHBondContact CB-O 3.29Å; A434-M554 HydrophobicContact CB-CB 4.15Å; A434-M554 HydrophobicContact CB-CE 4.18Å; A434-M554 HydrophobicContact CB-CG 4.37Å; H435-M554 PolarHBondContact NE2-N 2.86Å; L438-M554 HydrophobicContact CD2-SD 4.08Å; V552-M554 HydrophobicContact CG1-CG 4.24Å; V552-M554 HydrophobicContact CG1-SD 3.74Å; M554-L556 HydrophobicContact CB-CD1 4.33Å; M554-I744 CarbonylContact C-O 3.52Å; M554-I744 WeakPolarHBondContact CA-O 3.41Å; M554-S745 VanDerWaalsContact SD-CB 3.5Å |
| 555 | A | 96.9 | Very high | 96 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 105.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | D431 I744 A755 R759 | D431-A555 WeakPolarHBondContact OD1-CA 3.28Å; A555-I744 PolarHBondContact N-O 3.23Å; A555-I744 VanDerWaalsContact O-CB 3.28Å; A555-I744 WeakPolarHBondContact O-CB 3.26Å; A555-I744 PolarHBondContact O-N 2.84Å; A555-A755 HydrophobicContact CB-CB 3.69Å; A555-A755 WeakPolarHBondContact CB-O 3.16Å; A555-R759 HydrophobicContact CB-CB 4.04Å |
| 556 | L | 96 | Very high | 95.9 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 153.8 | -179.8 | -81.8 | 62.4 | 0 | 0 | 0 | 110 | Y427 L430 D431 A434 M554 Y742 H743 R759 | Y427-L556 WeakPolarHBondContact CB-O 3.27Å; L430-L556 HydrophobicContact CD1-CD2 3.95Å; L430-L556 HydrophobicContact CD2-CB 3.85Å; L430-L556 HydrophobicContact CD2-CD2 4.11Å; L430-L556 HydrophobicContact CG-CB 3.87Å; L430-L556 HydrophobicContact CG-CD2 3.57Å; L430-L556 HydrophobicContact CG-CG 4.37Å; D431-L556 PolarHBondContact OD1-N 3.33Å; A434-L556 HydrophobicContact CB-CD1 3.43Å; A434-L556 VanDerWaalsContact CB-CD1 3.43Å; A434-L556 HydrophobicContact CB-CD2 3.77Å; A434-L556 HydrophobicContact CB-CG 4.28Å; M554-L556 HydrophobicContact CB-CD1 4.33Å; L556-Y742 CarbonylContact C-O 3.44Å; L556-Y742 VanDerWaalsContact CA-O 3.23Å; L556-Y742 WeakPolarHBondContact CA-O 3.42Å; L556-H743 HydrophobicContact CD1-CB 4.41Å; L556-H743 WeakPolarHBondContact CD2-CE1 3.23Å; L556-H743 VanDerWaalsContact CD2-ND1 3.33Å; L556-H743 WeakPolarHBondContact CD2-ND1 3.31Å; L556-H743 HydrophobicContact CG-CB 4.34Å; L556-R759 WeakPolarHBondContact O-CD 3.44Å; L556-R759 PolarHBondContact O-NH1 3.3Å; L556-R759 VanDerWaalsContact O-NH1 3.14Å |
| 557 | M | 94.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 124.7 | 176.1 | 178.7 | 172.3 | 67.6 | 0 | 0 | 110 | Y427 Y559 S741 Y742 R759 L762 R763 L766 | Y427-M557 HydrophobicContact CE2-CG 4.38Å; M557-Y559 HydrophobicContact CE-CD2 4.27Å; M557-Y559 HydrophobicContact SD-CD2 4.24Å; M557-S741 CarbonylContact O-C 3.59Å; M557-S741 VanDerWaalsContact O-CA 3.29Å; M557-S741 WeakPolarHBondContact O-CA 3.44Å; M557-Y742 HydrophobicContact CE-CD2 3.57Å; M557-Y742 HydrophobicContact CE-CE2 3.96Å; M557-Y742 HydrophobicContact CE-CG 4.23Å; M557-Y742 PolarHBondContact N-O 3.07Å; M557-Y742 PolarHBondContact O-N 3.22Å; M557-R759 HydrophobicContact CB-CG 4.04Å; M557-R759 HydrophobicContact SD-CG 4.28Å; M557-L762 HydrophobicContact CE-CB 4.38Å; M557-L762 HydrophobicContact CE-CD2 3.91Å; M557-L762 HydrophobicContact CE-CG 3.94Å; M557-R763 HydrophobicContact SD-CB 3.92Å; M557-R763 HydrophobicContact SD-CG 4.3Å; M557-L766 HydrophobicContact CE-CD1 4.05Å |
| 558 | V | 94.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.036 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 93.2 | 169.2 | -174.9 | 0 | 0 | 0 | 0 | 107.8 | L256 F421 Y427 L430 K560 V739 | L256-V558 HydrophobicContact CD1-CG2 3.49Å; L256-V558 VanDerWaalsContact CD1-CG2 3.49Å; F421-V558 HydrophobicContact CE2-CG2 4.09Å; F421-V558 HydrophobicContact CZ-CG2 4.25Å; Y427-V558 HydrophobicContact CD1-CG2 4.44Å; Y427-V558 HydrophobicContact CE1-CB 3.85Å; Y427-V558 HydrophobicContact CE1-CG2 4.04Å; Y427-V558 PolarHBondContact OH-O 3.44Å; L430-V558 HydrophobicContact CD2-CG2 3.83Å; V558-K560 HydrophobicContact CG1-CG 4.3Å; V558-K560 PolarHBondContact O-N 3.29Å; V558-V739 HydrophobicContact CG1-CG1 3.75Å |
| 559 | Y | 94.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 121.4 | -175.9 | -169.3 | -104.9 | 0 | 0 | 0 | 110.9 | M557 D561 F562 V739 V740 R763 L766 | M557-Y559 HydrophobicContact CE-CD2 4.27Å; M557-Y559 HydrophobicContact SD-CD2 4.24Å; Y559-D561 HydrophobicContact CE1-CB 4.01Å; Y559-D561 HydrophobicContact CE2-CB 4.11Å; Y559-D561 WeakPolarHBondContact CE2-OD2 3.5Å; Y559-D561 WeakPolarHBondContact OH-CB 3.22Å; Y559-D561 PolarHBondContact OH-OD2 3.37Å; Y559-D561 VanDerWaalsContact OH-OD2 3.07Å; Y559-F562 WeakPolarHBondContact CD1-O 3.35Å; Y559-F562 AromaticContact CE1-CD1 3.46Å; Y559-F562 HydrophobicContact CE1-CD1 3.46Å; Y559-F562 VanDerWaalsContact CE1-CD1 3.46Å; Y559-F562 HydrophobicContact CE1-CD2 4.39Å; Y559-F562 AromaticContact CE1-CE1 3.43Å; Y559-F562 HydrophobicContact CE1-CE1 3.43Å; Y559-F562 VanDerWaalsContact CE1-CE1 3.43Å; Y559-F562 HydrophobicContact CE1-CE2 4.36Å; Y559-F562 AromaticContact CE1-CG 3.98Å; Y559-F562 HydrophobicContact CE1-CG 3.98Å; Y559-F562 AromaticContact CE1-CZ 3.9Å; Y559-F562 HydrophobicContact CE1-CZ 3.9Å; Y559-F562 AromaticContact CZ-CD1 3.89Å; Y559-F562 AromaticContact CZ-CE1 3.69Å; Y559-F562 WeakPolarHBondContact OH-CD1 3.39Å; Y559-F562 WeakPolarHBondContact OH-CE1 3.23Å; Y559-V739 WeakPolarHBondContact O-CA 3.32Å; Y559-V740 WeakPolarHBondContact CA-O 3.49Å; Y559-V740 VanDerWaalsContact CB-O 3.25Å; Y559-V740 WeakPolarHBondContact CB-O 3.38Å; Y559-V740 PolarHBondContact N-O 2.93Å; Y559-V740 PolarHBondContact O-N 2.79Å; Y559-R763 HydrophobicContact CE2-CG 4.42Å; Y559-L766 HydrophobicContact CD1-CD1 4.04Å; Y559-L766 HydrophobicContact CD2-CD1 4Å; Y559-L766 HydrophobicContact CE1-CB 4.28Å; Y559-L766 HydrophobicContact CE1-CD1 4.09Å; Y559-L766 HydrophobicContact CE2-CB 4.3Å; Y559-L766 HydrophobicContact CE2-CD1 4.09Å; Y559-L766 HydrophobicContact CG-CD1 3.97Å |
| 560 | K | 92.8 | Very high | 95.4 | Very high | 95 Ų | 95 | 41.9 Ų | 41.9 | 41% | 0.413 | 20% | 0.196 | S | C | . | . | trans | -119.3 | -7.5 | -173.8 | -63 | -177.3 | -179 | 176.7 | 0 | 114.6 | E423 V558 F562 V739 | E423-K560 IonicContact OE1-NZ 3.64Å; E423-K560 PolarHBondContact OE1-NZ 3.39Å; E423-K560 IonicContact OE2-NZ 3.75Å; E423-K560 PolarHBondContact OE2-NZ 3.48Å; V558-K560 HydrophobicContact CG1-CG 4.3Å; V558-K560 PolarHBondContact O-N 3.29Å; K560-F562 PolarHBondContact O-N 2.85Å; K560-V739 HydrophobicContact CG-CG2 4.3Å | ||
| 561 | D | 94.4 | Very high | 95.2 | Very high | 96 Ų | 96 | 37.2 Ų | 37.2 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -65.6 | -31.3 | -176.6 | -49.9 | -17.5 | 0 | 0 | 0 | 111.3 | Y559 R770 | Y559-D561 HydrophobicContact CE1-CB 4.01Å; Y559-D561 HydrophobicContact CE2-CB 4.11Å; Y559-D561 WeakPolarHBondContact CE2-OD2 3.5Å; Y559-D561 WeakPolarHBondContact OH-CB 3.22Å; Y559-D561 PolarHBondContact OH-OD2 3.37Å; Y559-D561 VanDerWaalsContact OH-OD2 3.07Å; D561-R770 PolarHBondContact O-NH1 3.1Å |
| 562 | F | 94.7 | Very high | 95 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | trans | -161.3 | 167.1 | 167.7 | 67.1 | -91.4 | 0 | 0 | 0 | 111.7 | Y559 K560 F566 M567 F577 H738 L766 R770 | Y559-F562 WeakPolarHBondContact CD1-O 3.35Å; Y559-F562 AromaticContact CE1-CD1 3.46Å; Y559-F562 HydrophobicContact CE1-CD1 3.46Å; Y559-F562 VanDerWaalsContact CE1-CD1 3.46Å; Y559-F562 HydrophobicContact CE1-CD2 4.39Å; Y559-F562 AromaticContact CE1-CE1 3.43Å; Y559-F562 HydrophobicContact CE1-CE1 3.43Å; Y559-F562 VanDerWaalsContact CE1-CE1 3.43Å; Y559-F562 HydrophobicContact CE1-CE2 4.36Å; Y559-F562 AromaticContact CE1-CG 3.98Å; Y559-F562 HydrophobicContact CE1-CG 3.98Å; Y559-F562 AromaticContact CE1-CZ 3.9Å; Y559-F562 HydrophobicContact CE1-CZ 3.9Å; Y559-F562 AromaticContact CZ-CD1 3.89Å; Y559-F562 AromaticContact CZ-CE1 3.69Å; Y559-F562 WeakPolarHBondContact OH-CD1 3.39Å; Y559-F562 WeakPolarHBondContact OH-CE1 3.23Å; K560-F562 PolarHBondContact O-N 2.85Å; F562-F566 HydrophobicContact CB-CB 3.76Å; F562-F566 HydrophobicContact CB-CD1 4.27Å; F562-F566 HydrophobicContact CB-CG 4.09Å; F562-F566 HydrophobicContact CD1-CD1 4.4Å; F562-F566 HydrophobicContact CD2-CB 3.98Å; F562-F566 AromaticContact CD2-CD1 3.4Å; F562-F566 HydrophobicContact CD2-CD1 3.4Å; F562-F566 VanDerWaalsContact CD2-CD1 3.4Å; F562-F566 HydrophobicContact CD2-CE1 4.23Å; F562-F566 HydrophobicContact CD2-CG 4.02Å; F562-F566 AromaticContact CE2-CD1 3.71Å; F562-F566 HydrophobicContact CE2-CD1 3.71Å; F562-F566 HydrophobicContact CE2-CE1 4.19Å; F562-F566 HydrophobicContact CG-CB 4.16Å; F562-F566 AromaticContact CG-CD1 3.78Å; F562-F566 HydrophobicContact CG-CD1 3.78Å; F562-F566 HydrophobicContact CG-CE1 4.48Å; F562-F566 HydrophobicContact CG-CG 4.12Å; F562-F566 HydrophobicContact CZ-CD1 4.34Å; F562-F566 HydrophobicContact CZ-CE1 4.41Å; F562-M567 HydrophobicContact CD2-CE 4.08Å; F562-M567 HydrophobicContact CD2-CG 4.38Å; F562-M567 HydrophobicContact CE2-CE 3.62Å; F562-M567 HydrophobicContact CE2-CG 4.16Å; F562-F577 AromaticContact CE2-CE1 3.64Å; F562-F577 HydrophobicContact CE2-CE1 3.64Å; F562-F577 AromaticContact CE2-CZ 3.83Å; F562-F577 HydrophobicContact CE2-CZ 3.83Å; F562-F577 AromaticContact CZ-CE1 3.75Å; F562-F577 HydrophobicContact CZ-CE1 3.75Å; F562-F577 AromaticContact CZ-CZ 3.86Å; F562-F577 HydrophobicContact CZ-CZ 3.86Å; F562-H738 CarbonylContact C-O 3.54Å; F562-H738 VanDerWaalsContact C-O 3.3Å; F562-L766 HydrophobicContact CE1-CB 4.26Å; F562-L766 HydrophobicContact CZ-CB 4.11Å; F562-L766 HydrophobicContact CZ-CD2 4.02Å; F562-R770 HydrophobicContact CD1-CB 4.3Å; F562-R770 HydrophobicContact CD1-CG 4.34Å; F562-R770 HydrophobicContact CE1-CB 3.8Å; F562-R770 HydrophobicContact CE1-CG 4.33Å; F562-R770 HydrophobicContact CZ-CB 4.45Å | ||
| 563 | G | 93.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -139.8 | -154.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G565 F566 M567 D737 | G563-G565 PolarHBondContact O-N 2.85Å; G563-F566 PolarHBondContact O-N 2.92Å; G563-F566 VanDerWaalsContact O-N 3.08Å; G563-M567 PolarHBondContact O-N 2.9Å; G563-D737 CarbonylContact C-O 3.53Å; G563-D737 WeakPolarHBondContact CA-O 3.34Å; G563-D737 PolarHBondContact N-O 2.96Å | ||
| 564 | K | 94.3 | Very high | 94.8 | Very high | 42 Ų | 42 | 36 Ų | 36 | 18% | 0.183 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.7 | -24.6 | -177.3 | 67.4 | -177 | -173.3 | -144 | 0 | 114.2 | F566 M567 K568 P574 I734 G736 D737 | K564-F566 VanDerWaalsContact C-N 3.34Å; K564-M567 PolarHBondContact O-N 3.37Å; K564-K568 WeakPolarHBondContact O-CB 3.16Å; K564-K568 VanDerWaalsContact O-CG 3.23Å; K564-K568 WeakPolarHBondContact O-CG 3.03Å; K564-K568 PolarHBondContact O-N 2.88Å; K564-P574 HydrophobicContact CB-CB 3.79Å; K564-P574 HydrophobicContact CB-CG 3.55Å; K564-I734 HydrophobicContact CB-CG2 3.71Å; K564-I734 HydrophobicContact CD-CG2 3.75Å; K564-I734 HydrophobicContact CG-CG2 3.91Å; K564-G736 VanDerWaalsContact CD-O 3.23Å; K564-G736 WeakPolarHBondContact CD-O 3.31Å; K564-G736 WeakPolarHBondContact CE-O 3.42Å; K564-G736 VanDerWaalsContact CG-O 3.24Å; K564-G736 WeakPolarHBondContact CG-O 3.31Å; K564-G736 PolarHBondContact NZ-O 2.89Å; K564-G736 VanDerWaalsContact NZ-O 3.09Å; K564-D737 WeakPolarHBondContact CE-OD1 3.29Å; K564-D737 WeakPolarHBondContact CG-OD1 3.43Å; K564-D737 PolarHBondContact N-O 2.73Å; K564-D737 IonicContact NZ-OD1 2.7Å |
| 565 | G | 94.2 | Very high | 94.7 | Very high | 17 Ų | 17 | 36.6 Ų | 36.6 | 18% | 0.175 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G563 K569 D737 | G563-G565 PolarHBondContact O-N 2.85Å; G565-K569 WeakPolarHBondContact O-CG 3.4Å; G565-K569 PolarHBondContact O-N 3.04Å; G565-D737 PolarHBondContact N-O 2.99Å |
| 566 | F | 96.1 | Very high | 94.8 | Very high | 41 Ų | 41 | 36.5 Ų | 36.5 | 18% | 0.18 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.2 | -50 | 173.9 | 173 | -100.8 | 0 | 0 | 0 | 111.5 | F562 G563 K564 K568 K569 C570 F577 R770 F773 | F562-F566 HydrophobicContact CB-CB 3.76Å; F562-F566 HydrophobicContact CB-CD1 4.27Å; F562-F566 HydrophobicContact CB-CG 4.09Å; F562-F566 HydrophobicContact CD1-CD1 4.4Å; F562-F566 HydrophobicContact CD2-CB 3.98Å; F562-F566 AromaticContact CD2-CD1 3.4Å; F562-F566 HydrophobicContact CD2-CD1 3.4Å; F562-F566 VanDerWaalsContact CD2-CD1 3.4Å; F562-F566 HydrophobicContact CD2-CE1 4.23Å; F562-F566 HydrophobicContact CD2-CG 4.02Å; F562-F566 AromaticContact CE2-CD1 3.71Å; F562-F566 HydrophobicContact CE2-CD1 3.71Å; F562-F566 HydrophobicContact CE2-CE1 4.19Å; F562-F566 HydrophobicContact CG-CB 4.16Å; F562-F566 AromaticContact CG-CD1 3.78Å; F562-F566 HydrophobicContact CG-CD1 3.78Å; F562-F566 HydrophobicContact CG-CE1 4.48Å; F562-F566 HydrophobicContact CG-CG 4.12Å; F562-F566 HydrophobicContact CZ-CD1 4.34Å; F562-F566 HydrophobicContact CZ-CE1 4.41Å; G563-F566 PolarHBondContact O-N 2.92Å; G563-F566 VanDerWaalsContact O-N 3.08Å; K564-F566 VanDerWaalsContact C-N 3.34Å; F566-K568 PolarHBondContact O-N 3.03Å; F566-K569 WeakPolarHBondContact O-CA 3.36Å; F566-K569 WeakPolarHBondContact O-CB 3.49Å; F566-K569 PolarHBondContact O-N 3Å; F566-C570 VanDerWaalsContact CE1-SG 3.57Å; F566-C570 WeakPolarHBondContact CZ-SG 3.35Å; F566-C570 PolarHBondContact O-N 3.22Å; F566-C570 PolarHBondContact O-SG 2.77Å; F566-C570 VanDerWaalsContact O-SG 3.35Å; F566-F577 HydrophobicContact CE1-CE2 4.26Å; F566-F577 HydrophobicContact CE1-CZ 4.17Å; F566-R770 HydrophobicContact CE1-CB 4.19Å; F566-R770 HydrophobicContact CE1-CG 4.19Å; F566-R770 HydrophobicContact CE2-CG 4.29Å; F566-R770 HydrophobicContact CZ-CB 4.13Å; F566-R770 HydrophobicContact CZ-CG 3.78Å; F566-F773 HydrophobicContact CE2-CB 4.34Å; F566-F773 HydrophobicContact CZ-CB 4.04Å; F566-F773 HydrophobicContact CZ-CD2 4.18Å; F566-F773 HydrophobicContact CZ-CG 4.4Å |
| 567 | M | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.3 | -39.1 | -177.9 | -58.3 | 166.6 | -178.1 | 0 | 0 | 112.3 | F562 G563 K564 C570 T572 P574 F577 I578 V740 | F562-M567 HydrophobicContact CD2-CE 4.08Å; F562-M567 HydrophobicContact CD2-CG 4.38Å; F562-M567 HydrophobicContact CE2-CE 3.62Å; F562-M567 HydrophobicContact CE2-CG 4.16Å; G563-M567 PolarHBondContact O-N 2.9Å; K564-M567 PolarHBondContact O-N 3.37Å; M567-C570 WeakPolarHBondContact O-CB 3.15Å; M567-C570 PolarHBondContact O-N 3.13Å; M567-T572 PolarHBondContact O-N 2.92Å; M567-T572 PolarHBondContact O-OG1 2.84Å; M567-P574 HydrophobicContact CB-CB 4.45Å; M567-P574 HydrophobicContact CB-CG 4.48Å; M567-P574 HydrophobicContact SD-CB 3.78Å; M567-F577 HydrophobicContact CB-CB 4.25Å; M567-F577 HydrophobicContact CB-CD2 4.24Å; M567-F577 HydrophobicContact CB-CG 4.19Å; M567-F577 HydrophobicContact CE-CD1 3.81Å; M567-F577 HydrophobicContact CE-CE1 4.15Å; M567-F577 HydrophobicContact CG-CB 4.08Å; M567-F577 HydrophobicContact CG-CD1 3.81Å; M567-F577 HydrophobicContact CG-CD2 4.02Å; M567-F577 HydrophobicContact CG-CE1 4.22Å; M567-F577 HydrophobicContact CG-CE2 4.38Å; M567-F577 HydrophobicContact CG-CG 3.71Å; M567-F577 HydrophobicContact CG-CZ 4.47Å; M567-F577 HydrophobicContact SD-CB 4.19Å; M567-F577 HydrophobicContact SD-CD1 4.05Å; M567-F577 HydrophobicContact SD-CG 4.21Å; M567-I578 HydrophobicContact CE-CD1 4.17Å; M567-I578 HydrophobicContact CE-CG1 3.8Å; M567-I578 HydrophobicContact SD-CD1 4.45Å; M567-I578 HydrophobicContact SD-CG1 4.26Å; M567-V740 HydrophobicContact CE-CG2 4.13Å |
| 568 | K | 94.7 | Very high | 95.1 | Very high | 123 Ų | 123 | 36.4 Ų | 36.4 | 54% | 0.535 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.5 | -38.3 | 174.5 | -74.1 | 175.1 | 179.9 | 179.1 | 0 | 112.8 | K564 F566 C570 G571 P574 | K564-K568 WeakPolarHBondContact O-CB 3.16Å; K564-K568 VanDerWaalsContact O-CG 3.23Å; K564-K568 WeakPolarHBondContact O-CG 3.03Å; K564-K568 PolarHBondContact O-N 2.88Å; F566-K568 PolarHBondContact O-N 3.03Å; K568-C570 VanDerWaalsContact C-N 3.26Å; K568-C570 PolarHBondContact O-N 3.46Å; K568-G571 PolarHBondContact O-N 3.38Å; K568-P574 HydrophobicContact CG-CG 4.1Å |
| 569 | K | 94.5 | Very high | 95.3 | Very high | 188 Ų | 188 | 36.1 Ų | 36.1 | 82% | 0.817 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -63.5 | -33.1 | 174.5 | -74 | 177 | -178.8 | -176.4 | 0 | 111.7 | G565 F566 G571 | G565-K569 WeakPolarHBondContact O-CG 3.4Å; G565-K569 PolarHBondContact O-N 3.04Å; F566-K569 WeakPolarHBondContact O-CA 3.36Å; F566-K569 WeakPolarHBondContact O-CB 3.49Å; F566-K569 PolarHBondContact O-N 3Å; K569-G571 PolarHBondContact O-N 3.05Å; K569-G571 VanDerWaalsContact O-N 3.17Å |
| 570 | C | 93.8 | Very high | 95.5 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 6% | 0.061 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -2.8 | 172.7 | -59.2 | 0 | 0 | 0 | 0 | 114.1 | F566 M567 K568 Q642 F773 | F566-C570 VanDerWaalsContact CE1-SG 3.57Å; F566-C570 WeakPolarHBondContact CZ-SG 3.35Å; F566-C570 PolarHBondContact O-N 3.22Å; F566-C570 PolarHBondContact O-SG 2.77Å; F566-C570 VanDerWaalsContact O-SG 3.35Å; M567-C570 WeakPolarHBondContact O-CB 3.15Å; M567-C570 PolarHBondContact O-N 3.13Å; K568-C570 VanDerWaalsContact C-N 3.26Å; K568-C570 PolarHBondContact O-N 3.46Å; C570-Q642 PolarHBondContact O-NE2 2.79Å; C570-F773 HydrophobicContact CB-CD1 4.01Å; C570-F773 HydrophobicContact CB-CD2 4.38Å; C570-F773 HydrophobicContact CB-CE1 3.64Å; C570-F773 HydrophobicContact CB-CE2 4.05Å; C570-F773 HydrophobicContact CB-CG 4.36Å; C570-F773 HydrophobicContact CB-CZ 3.66Å; C570-F773 VanDerWaalsContact SG-CG 3.59Å |
| 571 | G | 91.9 | Very high | 95.8 | Very high | 58 Ų | 58 | 31.3 Ų | 31.3 | 60% | 0.598 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77 | 19 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K568 K569 | K568-G571 PolarHBondContact O-N 3.38Å; K569-G571 PolarHBondContact O-N 3.05Å; K569-G571 VanDerWaalsContact O-N 3.17Å |
| 572 | T | 94.7 | Very high | 96 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 6% | 0.055 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -112.6 | 154.2 | -177.5 | 63.4 | 0 | 0 | 0 | 0 | 112 | M567 Q642 C645 | M567-T572 PolarHBondContact O-N 2.92Å; M567-T572 PolarHBondContact O-OG1 2.84Å; T572-Q642 HydrophobicContact CG2-CG 4.27Å; T572-C645 HydrophobicContact CG2-CB 4.12Å |
| 573 | S | 94.1 | Very high | 96.2 | Very high | 22 Ų | 22 | 26.4 Ų | 26.4 | 15% | 0.154 | 14% | 0.144 | C | C | . | . | trans | -69.5 | 136.7 | 165.4 | 62.7 | 0 | 0 | 0 | 0 | 108.8 | D575 G576 F577 | S573-D575 VanDerWaalsContact C-N 3.25Å; S573-D575 PolarHBondContact O-N 2.81Å; S573-G576 PolarHBondContact O-N 2.89Å; S573-G576 WeakPolarHBondContact OG-CA 3.36Å; S573-G576 PolarHBondContact OG-N 2.76Å; S573-G576 VanDerWaalsContact OG-N 3.13Å; S573-F577 WeakPolarHBondContact O-CB 3.35Å; S573-F577 PolarHBondContact O-N 2.79Å | ||
| 574 | P | 96.4 | Very high | 96.4 | Very high | 24 Ų | 24 | 26.4 Ų | 26.4 | 16% | 0.156 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.2 | -39.5 | 178.9 | -28.8 | 36.4 | 0 | 0 | 0 | 113.5 | K564 M567 K568 F577 I578 I734 | K564-P574 HydrophobicContact CB-CB 3.79Å; K564-P574 HydrophobicContact CB-CG 3.55Å; M567-P574 HydrophobicContact CB-CB 4.45Å; M567-P574 HydrophobicContact CB-CG 4.48Å; M567-P574 HydrophobicContact SD-CB 3.78Å; K568-P574 HydrophobicContact CG-CG 4.1Å; P574-F577 PolarHBondContact O-N 3.03Å; P574-I578 VanDerWaalsContact O-CG1 3.27Å; P574-I578 WeakPolarHBondContact O-CG1 3.44Å; P574-I578 PolarHBondContact O-N 3.4Å; P574-I734 HydrophobicContact CB-CD1 3.66Å |
| 575 | D | 96.8 | Very high | 96.7 | Very high | 20 Ų | 20 | 24.4 Ų | 24.4 | 11% | 0.107 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.3 | -51.5 | 175.8 | 175.8 | 24.1 | 0 | 0 | 0 | 111.7 | S573 F577 I578 Q579 H648 Y732 | S573-D575 VanDerWaalsContact C-N 3.25Å; S573-D575 PolarHBondContact O-N 2.81Å; D575-F577 VanDerWaalsContact C-N 3.29Å; D575-F577 PolarHBondContact O-N 2.89Å; D575-I578 PolarHBondContact O-N 2.67Å; D575-I578 VanDerWaalsContact O-N 3.14Å; D575-Q579 WeakPolarHBondContact O-CG 3.43Å; D575-Q579 PolarHBondContact O-N 2.73Å; D575-H648 IonicContact OD1-CE1 3.76Å; D575-H648 IonicContact OD2-CE1 3.39Å; D575-H648 PolarHBondContact OD2-CE1 3.06Å; D575-Y732 PolarHBondContact OD1-OH 2.79Å |
| 576 | G | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.7 | -37.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | S573 M580 H648 | S573-G576 PolarHBondContact O-N 2.89Å; S573-G576 WeakPolarHBondContact OG-CA 3.36Å; S573-G576 PolarHBondContact OG-N 2.76Å; S573-G576 VanDerWaalsContact OG-N 3.13Å; G576-M580 VanDerWaalsContact O-CG 3.28Å; G576-M580 WeakPolarHBondContact O-CG 3.25Å; G576-M580 PolarHBondContact O-N 2.91Å; G576-H648 WeakPolarHBondContact CA-ND1 3.46Å |
| 577 | F | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.8 | -49.6 | 174.4 | -174.7 | -74.6 | 0 | 0 | 0 | 111.2 | F562 F566 M567 S573 P574 D575 Q579 M580 A581 L641 L766 I769 | F562-F577 AromaticContact CE2-CE1 3.64Å; F562-F577 HydrophobicContact CE2-CE1 3.64Å; F562-F577 AromaticContact CE2-CZ 3.83Å; F562-F577 HydrophobicContact CE2-CZ 3.83Å; F562-F577 AromaticContact CZ-CE1 3.75Å; F562-F577 HydrophobicContact CZ-CE1 3.75Å; F562-F577 AromaticContact CZ-CZ 3.86Å; F562-F577 HydrophobicContact CZ-CZ 3.86Å; F566-F577 HydrophobicContact CE1-CE2 4.26Å; F566-F577 HydrophobicContact CE1-CZ 4.17Å; M567-F577 HydrophobicContact CB-CB 4.25Å; M567-F577 HydrophobicContact CB-CD2 4.24Å; M567-F577 HydrophobicContact CB-CG 4.19Å; M567-F577 HydrophobicContact CE-CD1 3.81Å; M567-F577 HydrophobicContact CE-CE1 4.15Å; M567-F577 HydrophobicContact CG-CB 4.08Å; M567-F577 HydrophobicContact CG-CD1 3.81Å; M567-F577 HydrophobicContact CG-CD2 4.02Å; M567-F577 HydrophobicContact CG-CE1 4.22Å; M567-F577 HydrophobicContact CG-CE2 4.38Å; M567-F577 HydrophobicContact CG-CG 3.71Å; M567-F577 HydrophobicContact CG-CZ 4.47Å; M567-F577 HydrophobicContact SD-CB 4.19Å; M567-F577 HydrophobicContact SD-CD1 4.05Å; M567-F577 HydrophobicContact SD-CG 4.21Å; S573-F577 WeakPolarHBondContact O-CB 3.35Å; S573-F577 PolarHBondContact O-N 2.79Å; P574-F577 PolarHBondContact O-N 3.03Å; D575-F577 VanDerWaalsContact C-N 3.29Å; D575-F577 PolarHBondContact O-N 2.89Å; F577-Q579 VanDerWaalsContact C-N 3.34Å; F577-Q579 PolarHBondContact O-N 2.96Å; F577-M580 PolarHBondContact O-N 3.4Å; F577-A581 PolarHBondContact O-N 2.8Å; F577-L641 HydrophobicContact CE2-CD2 4.42Å; F577-L766 HydrophobicContact CE1-CD2 4.07Å; F577-I769 HydrophobicContact CD2-CG2 4.41Å; F577-I769 HydrophobicContact CE1-CG2 4.08Å; F577-I769 HydrophobicContact CE2-CG2 3.46Å; F577-I769 VanDerWaalsContact CE2-CG2 3.46Å; F577-I769 HydrophobicContact CZ-CB 4.07Å; F577-I769 HydrophobicContact CZ-CG2 3.26Å |
| 578 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 179.4 | -70.4 | 168.4 | 0 | 0 | 0 | 110.3 | M567 P574 D575 M580 A581 L582 Y732 I734 V740 Y742 | M567-I578 HydrophobicContact CE-CD1 4.17Å; M567-I578 HydrophobicContact CE-CG1 3.8Å; M567-I578 HydrophobicContact SD-CD1 4.45Å; M567-I578 HydrophobicContact SD-CG1 4.26Å; P574-I578 VanDerWaalsContact O-CG1 3.27Å; P574-I578 WeakPolarHBondContact O-CG1 3.44Å; P574-I578 PolarHBondContact O-N 3.4Å; D575-I578 PolarHBondContact O-N 2.67Å; D575-I578 VanDerWaalsContact O-N 3.14Å; I578-M580 VanDerWaalsContact C-N 3.31Å; I578-M580 PolarHBondContact O-N 2.84Å; I578-A581 WeakPolarHBondContact O-CB 3.31Å; I578-A581 PolarHBondContact O-N 3.47Å; I578-A581 VanDerWaalsContact O-N 3.11Å; I578-L582 HydrophobicContact CG2-CD1 4.17Å; I578-L582 HydrophobicContact CG2-CG 4.34Å; I578-L582 WeakPolarHBondContact O-CG 3.48Å; I578-L582 PolarHBondContact O-N 3.02Å; I578-Y732 HydrophobicContact CB-CE2 4.33Å; I578-Y732 HydrophobicContact CD1-CD2 3.74Å; I578-Y732 HydrophobicContact CD1-CE2 3.87Å; I578-Y732 HydrophobicContact CG2-CD1 3.89Å; I578-Y732 HydrophobicContact CG2-CD2 3.96Å; I578-Y732 HydrophobicContact CG2-CE1 3.84Å; I578-Y732 HydrophobicContact CG2-CE2 3.91Å; I578-Y732 HydrophobicContact CG2-CG 3.96Å; I578-I734 HydrophobicContact CD1-CD1 3.72Å; I578-I734 HydrophobicContact CD1-CG1 3.84Å; I578-V740 HydrophobicContact CD1-CG1 3.89Å; I578-Y742 HydrophobicContact CG2-CE1 3.86Å |
| 579 | Q | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.1 | -41 | 177.5 | -71.8 | -69.2 | -10.4 | 0 | 0 | 111.8 | D575 F577 L582 Q583 E598 P615 T694 Y732 | D575-Q579 WeakPolarHBondContact O-CG 3.43Å; D575-Q579 PolarHBondContact O-N 2.73Å; F577-Q579 VanDerWaalsContact C-N 3.34Å; F577-Q579 PolarHBondContact O-N 2.96Å; Q579-L582 PolarHBondContact O-N 3Å; Q579-Q583 VanDerWaalsContact O-CG 3.31Å; Q579-Q583 WeakPolarHBondContact O-CG 3.31Å; Q579-Q583 PolarHBondContact O-N 3Å; Q579-E598 VanDerWaalsContact NE2-CD 3.3Å; Q579-E598 PolarHBondContact NE2-OE2 3.5Å; Q579-P615 HydrophobicContact CB-CB 4.46Å; Q579-T694 PolarHBondContact NE2-OG1 3.02Å; Q579-Y732 PolarHBondContact NE2-OH 3.29Å |
| 580 | M | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66 | -37.5 | 174.9 | -67.7 | -48.2 | 98.4 | 0 | 0 | 112.5 | G576 F577 I578 L582 Q583 L584 S620 F623 L641 A644 H648 | G576-M580 VanDerWaalsContact O-CG 3.28Å; G576-M580 WeakPolarHBondContact O-CG 3.25Å; G576-M580 PolarHBondContact O-N 2.91Å; F577-M580 PolarHBondContact O-N 3.4Å; I578-M580 VanDerWaalsContact C-N 3.31Å; I578-M580 PolarHBondContact O-N 2.84Å; M580-L582 VanDerWaalsContact C-N 3.33Å; M580-L582 PolarHBondContact O-N 3.16Å; M580-Q583 HydrophobicContact CE-CG 4.37Å; M580-Q583 PolarHBondContact O-N 2.84Å; M580-L584 PolarHBondContact O-N 3.29Å; M580-S620 WeakPolarHBondContact SD-CB 3.36Å; M580-F623 HydrophobicContact CB-CD1 4Å; M580-F623 HydrophobicContact CB-CE1 3.8Å; M580-F623 HydrophobicContact CG-CD1 4.32Å; M580-F623 HydrophobicContact SD-CD1 4.39Å; M580-L641 HydrophobicContact CB-CD1 3.83Å; M580-L641 HydrophobicContact CG-CD1 3.99Å; M580-A644 HydrophobicContact CG-CB 4.05Å; M580-A644 HydrophobicContact SD-CB 3.49Å; M580-A644 WeakPolarHBondContact SD-CB 3.36Å; M580-H648 HydrophobicContact CE-CB 4.42Å |
| 581 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | F577 I578 L584 T585 L762 L766 I769 | F577-A581 PolarHBondContact O-N 2.8Å; I578-A581 WeakPolarHBondContact O-CB 3.31Å; I578-A581 PolarHBondContact O-N 3.47Å; I578-A581 VanDerWaalsContact O-N 3.11Å; A581-L584 PolarHBondContact O-N 2.93Å; A581-T585 WeakPolarHBondContact O-CB 3.3Å; A581-T585 PolarHBondContact O-N 3.14Å; A581-T585 PolarHBondContact O-OG1 2.76Å; A581-L762 HydrophobicContact CB-CD1 4.26Å; A581-L766 HydrophobicContact CB-CD2 3.77Å; A581-L766 HydrophobicContact CB-CG 4.4Å; A581-I769 HydrophobicContact CB-CD1 3.8Å |
| 582 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66 | -40.4 | 175.1 | -66.2 | 175.7 | 0 | 0 | 0 | 111.9 | I578 Q579 M580 T585 Y586 L692 T694 V730 Y732 F758 L762 | I578-L582 HydrophobicContact CG2-CD1 4.17Å; I578-L582 HydrophobicContact CG2-CG 4.34Å; I578-L582 WeakPolarHBondContact O-CG 3.48Å; I578-L582 PolarHBondContact O-N 3.02Å; Q579-L582 PolarHBondContact O-N 3Å; M580-L582 VanDerWaalsContact C-N 3.33Å; M580-L582 PolarHBondContact O-N 3.16Å; L582-T585 PolarHBondContact O-N 3.45Å; L582-Y586 WeakPolarHBondContact O-CB 3.43Å; L582-Y586 PolarHBondContact O-N 3.4Å; L582-L692 HydrophobicContact CB-CD2 4.4Å; L582-T694 HydrophobicContact CD1-CG2 3.81Å; L582-V730 HydrophobicContact CD1-CG1 4.28Å; L582-V730 HydrophobicContact CD2-CB 4.43Å; L582-V730 HydrophobicContact CD2-CG1 3.79Å; L582-V730 HydrophobicContact CD2-CG2 4.5Å; L582-Y732 HydrophobicContact CD1-CD1 4.39Å; L582-Y732 HydrophobicContact CD1-CE1 4.23Å; L582-F758 HydrophobicContact CD2-CE1 4.11Å; L582-F758 HydrophobicContact CD2-CZ 4.48Å; L582-L762 HydrophobicContact CD2-CD1 3.94Å; L582-L762 HydrophobicContact CD2-CD2 4.06Å |
| 583 | Q | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 174.9 | -63.5 | -41 | -55.5 | 0 | 0 | 112.2 | Q579 M580 T585 Y587 T596 V624 | Q579-Q583 VanDerWaalsContact O-CG 3.31Å; Q579-Q583 WeakPolarHBondContact O-CG 3.31Å; Q579-Q583 PolarHBondContact O-N 3Å; M580-Q583 HydrophobicContact CE-CG 4.37Å; M580-Q583 PolarHBondContact O-N 2.84Å; Q583-T585 VanDerWaalsContact C-N 3.34Å; Q583-Y587 WeakPolarHBondContact O-CB 3.35Å; Q583-Y587 PolarHBondContact O-N 2.67Å; Q583-T596 PolarHBondContact NE2-OG1 3.47Å; Q583-T596 PolarHBondContact OE1-OG1 3.34Å; Q583-V624 HydrophobicContact CB-CG2 3.9Å |
| 584 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.5 | -179.2 | 58.3 | 0 | 0 | 0 | 111.2 | M580 A581 Y587 R588 V624 M627 I769 | M580-L584 PolarHBondContact O-N 3.29Å; A581-L584 PolarHBondContact O-N 2.93Å; L584-Y587 PolarHBondContact O-N 2.84Å; L584-R588 HydrophobicContact CD1-CG 4.34Å; L584-R588 WeakPolarHBondContact O-CB 3.4Å; L584-R588 VanDerWaalsContact O-CG 3.3Å; L584-R588 WeakPolarHBondContact O-CG 3.46Å; L584-R588 PolarHBondContact O-N 2.9Å; L584-V624 HydrophobicContact CB-CG2 4.24Å; L584-V624 HydrophobicContact CD1-CG1 4.09Å; L584-M627 HydrophobicContact CD1-CB 3.77Å; L584-M627 HydrophobicContact CD1-CG 4.35Å; L584-M627 HydrophobicContact CD2-CB 4.28Å; L584-M627 HydrophobicContact CD2-CE 3.98Å; L584-M627 HydrophobicContact CD2-CG 4.15Å; L584-I769 HydrophobicContact CD2-CD1 4.08Å; L584-I769 HydrophobicContact CD2-CG1 4.04Å |
| 585 | T | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.1 | -50.7 | 178.9 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | A581 L582 Q583 Y587 R588 D589 F758 L762 S765 | A581-T585 WeakPolarHBondContact O-CB 3.3Å; A581-T585 PolarHBondContact O-N 3.14Å; A581-T585 PolarHBondContact O-OG1 2.76Å; L582-T585 PolarHBondContact O-N 3.45Å; Q583-T585 VanDerWaalsContact C-N 3.34Å; T585-Y587 PolarHBondContact O-N 2.92Å; T585-R588 PolarHBondContact O-N 3.12Å; T585-D589 WeakPolarHBondContact O-CB 3.43Å; T585-D589 PolarHBondContact O-N 3.5Å; T585-F758 HydrophobicContact CG2-CD1 3.87Å; T585-F758 HydrophobicContact CG2-CD2 3.99Å; T585-F758 HydrophobicContact CG2-CE1 3.67Å; T585-F758 HydrophobicContact CG2-CE2 3.81Å; T585-F758 HydrophobicContact CG2-CG 4.03Å; T585-F758 HydrophobicContact CG2-CZ 3.64Å; T585-L762 HydrophobicContact CG2-CB 4.03Å; T585-L762 WeakPolarHBondContact OG1-CA 3.41Å; T585-L762 WeakPolarHBondContact OG1-CD1 3.01Å; T585-S765 WeakPolarHBondContact OG1-CB 3.39Å; T585-S765 PolarHBondContact OG1-OG 3.05Å |
| 586 | Y | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 179.5 | -173.7 | -78.3 | 0 | 0 | 0 | 111.4 | L582 R588 D589 Q590 K592 C594 R691 L692 Y728 F758 | L582-Y586 WeakPolarHBondContact O-CB 3.43Å; L582-Y586 PolarHBondContact O-N 3.4Å; Y586-R588 VanDerWaalsContact C-N 3.33Å; Y586-R588 PolarHBondContact O-N 3.47Å; Y586-D589 PolarHBondContact O-N 3.46Å; Y586-Q590 HydrophobicContact CD1-CB 4.04Å; Y586-Q590 HydrophobicContact CD1-CG 4.11Å; Y586-Q590 HydrophobicContact CD2-CG 4.34Å; Y586-Q590 HydrophobicContact CE1-CB 3.57Å; Y586-Q590 HydrophobicContact CE1-CG 3.64Å; Y586-Q590 HydrophobicContact CE2-CG 3.93Å; Y586-Q590 HydrophobicContact CG-CG 4.42Å; Y586-Q590 WeakPolarHBondContact O-CB 3.28Å; Y586-Q590 PolarHBondContact O-N 2.64Å; Y586-K592 WeakPolarHBondContact CD1-O 3.12Å; Y586-K592 WeakPolarHBondContact CE1-O 3.41Å; Y586-C594 HydrophobicContact CD1-CB 4.29Å; Y586-C594 HydrophobicContact CE1-CB 3.46Å; Y586-C594 VanDerWaalsContact CE1-CB 3.46Å; Y586-C594 WeakPolarHBondContact CE1-SG 3.49Å; Y586-C594 HydrophobicContact CE2-CB 4.27Å; Y586-C594 WeakPolarHBondContact CE2-SG 3.37Å; Y586-C594 VanDerWaalsContact CZ-CB 3.44Å; Y586-C594 WeakPolarHBondContact OH-CB 3.37Å; Y586-R691 HydrophobicContact CE2-CB 4.5Å; Y586-L692 HydrophobicContact CD2-CB 4.08Å; Y586-L692 HydrophobicContact CD2-CD2 4.22Å; Y586-L692 HydrophobicContact CE2-CB 4.29Å; Y586-L692 HydrophobicContact CG-CD2 4.43Å; Y586-Y728 AromaticContact CD2-CD2 3.89Å; Y586-Y728 HydrophobicContact CD2-CD2 3.89Å; Y586-Y728 HydrophobicContact CD2-CE2 4.3Å; Y586-Y728 AromaticContact CE2-CD2 3.86Å; Y586-Y728 HydrophobicContact CE2-CD2 3.86Å; Y586-Y728 HydrophobicContact CE2-CE2 4.25Å; Y586-F758 HydrophobicContact CD2-CE2 4.16Å |
| 587 | Y | 98.6 | Very high | 98.1 | Very high | 54 Ų | 54 | 23.6 Ų | 23.6 | 21% | 0.212 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.2 | -40.8 | 178.8 | -174.5 | -91 | 0 | 0 | 0 | 112.1 | Q583 L584 T585 D589 K591 F593 V624 E628 | Q583-Y587 WeakPolarHBondContact O-CB 3.35Å; Q583-Y587 PolarHBondContact O-N 2.67Å; L584-Y587 PolarHBondContact O-N 2.84Å; T585-Y587 PolarHBondContact O-N 2.92Å; Y587-D589 VanDerWaalsContact C-N 3.29Å; Y587-D589 PolarHBondContact O-N 2.74Å; Y587-K591 WeakPolarHBondContact O-CA 3.15Å; Y587-K591 PolarHBondContact O-N 3.48Å; Y587-F593 HydrophobicContact CD2-CD1 4Å; Y587-F593 HydrophobicContact CD2-CD2 4.03Å; Y587-F593 AromaticContact CD2-CE1 3.74Å; Y587-F593 HydrophobicContact CD2-CE1 3.74Å; Y587-F593 AromaticContact CD2-CE2 3.76Å; Y587-F593 HydrophobicContact CD2-CE2 3.76Å; Y587-F593 HydrophobicContact CD2-CG 4.14Å; Y587-F593 AromaticContact CD2-CZ 3.6Å; Y587-F593 HydrophobicContact CD2-CZ 3.6Å; Y587-F593 HydrophobicContact CE2-CD2 4.02Å; Y587-F593 HydrophobicContact CE2-CE1 4.38Å; Y587-F593 AromaticContact CE2-CE2 3.58Å; Y587-F593 HydrophobicContact CE2-CE2 3.58Å; Y587-F593 AromaticContact CE2-CZ 3.79Å; Y587-F593 HydrophobicContact CE2-CZ 3.79Å; Y587-F593 HydrophobicContact CG-CE1 4.31Å; Y587-F593 HydrophobicContact CG-CZ 4.35Å; Y587-V624 HydrophobicContact CD1-CG1 3.73Å; Y587-V624 HydrophobicContact CD2-CG1 4.15Å; Y587-V624 HydrophobicContact CE1-CG1 4.48Å; Y587-V624 HydrophobicContact CG-CG1 3.53Å; Y587-E628 HydrophobicContact CD1-CG 4.07Å; Y587-E628 HydrophobicContact CE1-CG 4.01Å |
| 588 | R | 98.4 | Very high | 98.1 | Very high | 43 Ų | 43 | 23.7 Ų | 23.7 | 16% | 0.162 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.6 | -37.1 | 176.1 | -76.6 | 169.6 | 169.8 | -171 | -10.9 | 112.5 | L584 T585 Y586 K591 E628 S765 D768 | L584-R588 HydrophobicContact CD1-CG 4.34Å; L584-R588 WeakPolarHBondContact O-CB 3.4Å; L584-R588 VanDerWaalsContact O-CG 3.3Å; L584-R588 WeakPolarHBondContact O-CG 3.46Å; L584-R588 PolarHBondContact O-N 2.9Å; T585-R588 PolarHBondContact O-N 3.12Å; Y586-R588 VanDerWaalsContact C-N 3.33Å; Y586-R588 PolarHBondContact O-N 3.47Å; R588-K591 VanDerWaalsContact O-CE 3.3Å; R588-K591 WeakPolarHBondContact O-CE 3.47Å; R588-K591 PolarHBondContact O-NZ 3.1Å; R588-E628 IonicContact CZ-OE1 2.78Å; R588-E628 IonicContact NE-OE1 3.9Å; R588-E628 PolarHBondContact NE-OE1 2.86Å; R588-E628 IonicContact NH2-OE1 3.77Å; R588-E628 PolarHBondContact NH2-OE1 2.83Å; R588-S765 PolarHBondContact NH1-OG 3.37Å; R588-D768 IonicContact CZ-OD2 2.84Å; R588-D768 IonicContact NH1-OD2 3.61Å; R588-D768 PolarHBondContact NH1-OD2 3.39Å; R588-D768 IonicContact NH2-OD2 3.68Å; R588-D768 PolarHBondContact NH2-OD2 3.36Å |
| 589 | D | 97.8 | Very high | 98 | Very high | 35 Ų | 35 | 25.1 Ų | 25.1 | 19% | 0.187 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -75.6 | -46.3 | -179 | -169.9 | 65.7 | 0 | 0 | 0 | 112.7 | T585 Y586 Y587 Y728 R757 | T585-D589 WeakPolarHBondContact O-CB 3.43Å; T585-D589 PolarHBondContact O-N 3.5Å; Y586-D589 PolarHBondContact O-N 3.46Å; Y587-D589 VanDerWaalsContact C-N 3.29Å; Y587-D589 PolarHBondContact O-N 2.74Å; D589-Y728 PolarHBondContact OD2-OH 3.34Å; D589-R757 VanDerWaalsContact CG-NH2 3.31Å; D589-R757 IonicContact OD1-CZ 3.83Å; D589-R757 VanDerWaalsContact OD1-CZ 3.25Å; D589-R757 IonicContact OD1-NE 2.76Å; D589-R757 PolarHBondContact OD1-NE 3.37Å; D589-R757 IonicContact OD1-NH2 3.76Å; D589-R757 PolarHBondContact OD1-NH2 2.61Å; D589-R757 IonicContact OD2-CZ 2.91Å; D589-R757 IonicContact OD2-NH2 2.79Å; D589-R757 PolarHBondContact OD2-NH2 3.33Å |
| 590 | Q | 97 | Very high | 97.9 | Very high | 30 Ų | 30 | 25.1 Ų | 25.1 | 14% | 0.14 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -105.1 | -8.3 | -170 | -62.8 | -65.1 | -42 | 0 | 0 | 114.1 | Y586 K592 T752 | Y586-Q590 HydrophobicContact CD1-CB 4.04Å; Y586-Q590 HydrophobicContact CD1-CG 4.11Å; Y586-Q590 HydrophobicContact CD2-CG 4.34Å; Y586-Q590 HydrophobicContact CE1-CB 3.57Å; Y586-Q590 HydrophobicContact CE1-CG 3.64Å; Y586-Q590 HydrophobicContact CE2-CG 3.93Å; Y586-Q590 HydrophobicContact CG-CG 4.42Å; Y586-Q590 WeakPolarHBondContact O-CB 3.28Å; Y586-Q590 PolarHBondContact O-N 2.64Å; Q590-K592 HydrophobicContact CB-CG 4.27Å; Q590-K592 PolarHBondContact O-N 3.49Å; Q590-K592 VanDerWaalsContact O-N 3.11Å; Q590-T752 PolarHBondContact NE2-O 2.91Å |
| 591 | K | 96.7 | Very high | 97.7 | Very high | 144 Ų | 144 | 27 Ų | 27 | 63% | 0.626 | 13% | 0.125 | S | C | * | . | S | Bend | trans | 57.8 | 20.4 | -177.2 | -51.8 | -52.7 | -173.2 | -166.9 | 0 | 114.8 | Y587 R588 | Y587-K591 WeakPolarHBondContact O-CA 3.15Å; Y587-K591 PolarHBondContact O-N 3.48Å; R588-K591 VanDerWaalsContact O-CE 3.3Å; R588-K591 WeakPolarHBondContact O-CE 3.47Å; R588-K591 PolarHBondContact O-NZ 3.1Å |
| 592 | K | 96.5 | Very high | 97.6 | Very high | 106 Ų | 106 | 27.3 Ų | 27.3 | 46% | 0.461 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -151.9 | 158.4 | 177.1 | 65.1 | -173.9 | 176.9 | -177.2 | 0 | 110.7 | Y586 Q590 | Y586-K592 WeakPolarHBondContact CD1-O 3.12Å; Y586-K592 WeakPolarHBondContact CE1-O 3.41Å; Q590-K592 HydrophobicContact CB-CG 4.27Å; Q590-K592 PolarHBondContact O-N 3.49Å; Q590-K592 VanDerWaalsContact O-N 3.11Å |
| 593 | F | 97.8 | Very high | 97.5 | Very high | 25 Ų | 25 | 27.4 Ų | 27.4 | 11% | 0.11 | 13% | 0.127 | C | C | . | . | trans | -77.5 | 155.9 | 166.2 | -61.7 | -73.7 | 0 | 0 | 0 | 110.2 | L189 Y587 V616 C621 V624 R625 | L189-F593 HydrophobicContact CD2-CB 3.9Å; Y587-F593 HydrophobicContact CD2-CD1 4Å; Y587-F593 HydrophobicContact CD2-CD2 4.03Å; Y587-F593 AromaticContact CD2-CE1 3.74Å; Y587-F593 HydrophobicContact CD2-CE1 3.74Å; Y587-F593 AromaticContact CD2-CE2 3.76Å; Y587-F593 HydrophobicContact CD2-CE2 3.76Å; Y587-F593 HydrophobicContact CD2-CG 4.14Å; Y587-F593 AromaticContact CD2-CZ 3.6Å; Y587-F593 HydrophobicContact CD2-CZ 3.6Å; Y587-F593 HydrophobicContact CE2-CD2 4.02Å; Y587-F593 HydrophobicContact CE2-CE1 4.38Å; Y587-F593 AromaticContact CE2-CE2 3.58Å; Y587-F593 HydrophobicContact CE2-CE2 3.58Å; Y587-F593 AromaticContact CE2-CZ 3.79Å; Y587-F593 HydrophobicContact CE2-CZ 3.79Å; Y587-F593 HydrophobicContact CG-CE1 4.31Å; Y587-F593 HydrophobicContact CG-CZ 4.35Å; F593-V616 HydrophobicContact CB-CG1 4.34Å; F593-C621 VanDerWaalsContact CD1-SG 3.55Å; F593-C621 HydrophobicContact CD2-CB 4.41Å; F593-C621 HydrophobicContact CE1-CB 4.09Å; F593-C621 VanDerWaalsContact CE1-SG 3.59Å; F593-C621 HydrophobicContact CE2-CB 3.87Å; F593-C621 HydrophobicContact CZ-CB 3.7Å; F593-V624 HydrophobicContact CE1-CB 3.74Å; F593-V624 HydrophobicContact CE1-CG1 3.7Å; F593-V624 HydrophobicContact CE1-CG2 4.13Å; F593-V624 HydrophobicContact CZ-CB 3.91Å; F593-V624 HydrophobicContact CZ-CG1 3.83Å; F593-R625 HydrophobicContact CE2-CG 4.4Å; F593-R625 HydrophobicContact CZ-CG 4.3Å | ||
| 594 | C | 96.7 | Very high | 97.4 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 5% | 0.047 | 13% | 0.127 | C | C | . | . | trans | -137.7 | 160.1 | 174.4 | 74.9 | 0 | 0 | 0 | 0 | 111.1 | L189 Y586 T596 V616 R691 | L189-C594 VanDerWaalsContact CD2-C 3.44Å; Y586-C594 HydrophobicContact CD1-CB 4.29Å; Y586-C594 HydrophobicContact CE1-CB 3.46Å; Y586-C594 VanDerWaalsContact CE1-CB 3.46Å; Y586-C594 WeakPolarHBondContact CE1-SG 3.49Å; Y586-C594 HydrophobicContact CE2-CB 4.27Å; Y586-C594 WeakPolarHBondContact CE2-SG 3.37Å; Y586-C594 VanDerWaalsContact CZ-CB 3.44Å; Y586-C594 WeakPolarHBondContact OH-CB 3.37Å; C594-T596 PolarHBondContact O-N 3.4Å; C594-T596 VanDerWaalsContact O-N 3.07Å; C594-T596 PolarHBondContact O-OG1 3.24Å; C594-V616 WeakPolarHBondContact O-CG2 3.33Å; C594-R691 HydrophobicContact CB-CB 3.93Å | ||
| 595 | L | 97 | Very high | 97.3 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 8% | 0.084 | 13% | 0.129 | C | C | . | . | trans | -62.3 | 115.2 | 171.3 | -173.8 | 68.3 | 0 | 0 | 0 | 109.4 | L189 E688 W690 R691 | L189-L595 HydrophobicContact CD1-CB 4.2Å; L189-L595 HydrophobicContact CD1-CD1 3.77Å; L595-E688 HydrophobicContact CD2-CB 3.89Å; L595-W690 HydrophobicContact CB-CE3 4.44Å; L595-W690 HydrophobicContact CD1-CE3 4.28Å; L595-W690 HydrophobicContact CD1-CH2 4.14Å; L595-W690 HydrophobicContact CD1-CZ3 3.64Å; L595-W690 HydrophobicContact CD2-CD2 3.89Å; L595-W690 HydrophobicContact CD2-CE3 3.54Å; L595-W690 HydrophobicContact CD2-CH2 3.78Å; L595-W690 HydrophobicContact CD2-CZ2 4.07Å; L595-W690 HydrophobicContact CD2-CZ3 3.52Å; L595-W690 HydrophobicContact CG-CD2 4.26Å; L595-W690 HydrophobicContact CG-CE3 3.42Å; L595-W690 VanDerWaalsContact CG-CE3 3.42Å; L595-W690 HydrophobicContact CG-CH2 4.01Å; L595-W690 HydrophobicContact CG-CZ3 3.3Å; L595-R691 PolarHBondContact O-N 3.14Å | ||
| 596 | T | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128 | -180 | -60.9 | 0 | 0 | 0 | 0 | 110.4 | Q583 C594 P615 W690 L692 T694 | Q583-T596 PolarHBondContact NE2-OG1 3.47Å; Q583-T596 PolarHBondContact OE1-OG1 3.34Å; C594-T596 PolarHBondContact O-N 3.4Å; C594-T596 VanDerWaalsContact O-N 3.07Å; C594-T596 PolarHBondContact O-OG1 3.24Å; T596-P615 HydrophobicContact CG2-CB 4.33Å; T596-P615 HydrophobicContact CG2-CG 3.8Å; T596-P615 WeakPolarHBondContact O-CD 3.46Å; T596-W690 WeakPolarHBondContact O-CZ3 3.38Å; T596-L692 CarbonylContact C-O 3.45Å; T596-L692 WeakPolarHBondContact CA-O 3.41Å; T596-L692 HydrophobicContact CG2-CB 4.16Å; T596-L692 HydrophobicContact CG2-CD2 3.93Å; T596-L692 HydrophobicContact CG2-CG 3.91Å; T596-L692 WeakPolarHBondContact CG2-O 3.12Å; T596-T694 HydrophobicContact CG2-CG2 4.03Å |
| 597 | Y | 97.9 | Very high | 97 | Very high | 32 Ų | 32 | 34.8 Ų | 34.8 | 13% | 0.125 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 135 | 170.7 | 179.8 | -81.1 | 0 | 0 | 0 | 109.4 | A599 T610 T612 R663 W690 L692 T694 | Y597-A599 HydrophobicContact CE1-CB 3.91Å; Y597-T610 PolarHBondContact OH-OG1 2.78Å; Y597-T612 HydrophobicContact CD2-CG2 3.53Å; Y597-T612 WeakPolarHBondContact CD2-OG1 3.37Å; Y597-T612 HydrophobicContact CE2-CG2 3.9Å; Y597-T612 WeakPolarHBondContact CE2-OG1 3.34Å; Y597-T612 HydrophobicContact CG-CG2 4.09Å; Y597-R663 PolarHBondContact OH-NH2 3.32Å; Y597-W690 VanDerWaalsContact CB-CE3 3.47Å; Y597-W690 HydrophobicContact CD2-CD2 4.08Å; Y597-W690 HydrophobicContact CD2-CE3 4.33Å; Y597-W690 HydrophobicContact CD2-CG 4.44Å; Y597-W690 HydrophobicContact CD2-CZ2 4.42Å; Y597-W690 HydrophobicContact CG-CD2 4.42Å; Y597-W690 HydrophobicContact CG-CE3 4.42Å; Y597-L692 PolarHBondContact N-O 3.32Å; Y597-T694 WeakPolarHBondContact O-CA 3.42Å; Y597-T694 WeakPolarHBondContact O-CB 3.33Å; Y597-T694 PolarHBondContact O-N 3.43Å; Y597-T694 PolarHBondContact O-OG1 2.76Å |
| 598 | E | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 128.4 | 164.6 | 176.3 | -168.3 | 165.1 | 0 | 0 | 110.2 | Q579 C600 T612 V613 P615 H648 Y652 T694 | Q579-E598 VanDerWaalsContact NE2-CD 3.3Å; Q579-E598 PolarHBondContact NE2-OE2 3.5Å; E598-C600 PolarHBondContact O-N 2.92Å; E598-T612 WeakPolarHBondContact O-CA 3.36Å; E598-V613 HydrophobicContact CB-CB 3.98Å; E598-V613 HydrophobicContact CG-CB 4.3Å; E598-V613 PolarHBondContact N-O 3.42Å; E598-V613 PolarHBondContact O-N 3Å; E598-V613 WeakPolarHBondContact OE2-CG1 3.49Å; E598-P615 HydrophobicContact CB-CG 3.87Å; E598-P615 WeakPolarHBondContact OE2-CG 3.4Å; E598-H648 IonicContact OE1-CE1 3.39Å; E598-H648 IonicContact OE1-NE2 2.76Å; E598-H648 IonicContact OE2-CD2 3.65Å; E598-H648 IonicContact OE2-CE1 3.98Å; E598-H648 IonicContact OE2-NE2 2.96Å; E598-H648 PolarHBondContact OE2-NE2 3.39Å; E598-Y652 VanDerWaalsContact OE1-CD2 3.27Å; E598-Y652 WeakPolarHBondContact OE1-CD2 3.38Å; E598-Y652 WeakPolarHBondContact OE1-CE2 3.27Å; E598-T694 WeakPolarHBondContact CA-O 3.39Å; E598-T694 WeakPolarHBondContact CA-OG1 3.43Å; E598-T694 WeakPolarHBondContact CB-OG1 3.41Å |
| 599 | A | 96.7 | Very high | 96.8 | Very high | 30 Ų | 30 | 30.5 Ų | 30.5 | 25% | 0.248 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 125.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y597 T694 | Y597-A599 HydrophobicContact CE1-CB 3.91Å; A599-T694 PolarHBondContact N-O 3.49Å; A599-T694 VanDerWaalsContact N-O 3.15Å |
| 600 | C | 96.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 129.7 | 174.1 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | E598 T610 E611 V613 Y652 A655 M656 | E598-C600 PolarHBondContact O-N 2.92Å; C600-T610 CarbonylContact O-C 3.38Å; C600-T610 WeakPolarHBondContact O-CA 3.24Å; C600-E611 PolarHBondContact N-O 2.92Å; C600-E611 PolarHBondContact O-N 3.44Å; C600-V613 HydrophobicContact CB-CG2 3.71Å; C600-Y652 HydrophobicContact CB-CE2 4.22Å; C600-A655 HydrophobicContact CB-CB 4.07Å; C600-M656 PolarHBondContact SG-N 3.08Å |
| 601 | M | 94.7 | Very high | 96.6 | Very high | 39 Ų | 39 | 28.1 Ų | 28.1 | 19% | 0.192 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 140.9 | 179.5 | 61.7 | 167.6 | 176.8 | 0 | 0 | 112.4 | I292 L297 R603 M656 | I292-M601 HydrophobicContact CD1-CE 3.82Å; L297-M601 HydrophobicContact CD1-CE 3.78Å; L297-M601 HydrophobicContact CD1-SD 3.82Å; L297-M601 HydrophobicContact CD2-CE 4.28Å; L297-M601 HydrophobicContact CD2-SD 4.49Å; M601-R603 HydrophobicContact CB-CG 4.37Å; M601-R603 HydrophobicContact SD-CB 4.25Å; M601-M656 HydrophobicContact CE-CE 3.93Å; M601-M656 HydrophobicContact CG-CE 4.33Å |
| 602 | T | 96.8 | Very high | 96.7 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | trans | -104.1 | 21.5 | 169.2 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | L170 L604 Y605 G608 R609 E611 | L170-T602 HydrophobicContact CD1-CG2 4.23Å; T602-L604 PolarHBondContact O-N 3.46Å; T602-Y605 WeakPolarHBondContact O-CD2 3.47Å; T602-Y605 PolarHBondContact O-N 2.65Å; T602-G608 VanDerWaalsContact OG1-CA 3.22Å; T602-G608 WeakPolarHBondContact OG1-CA 3.32Å; T602-R609 WeakPolarHBondContact CB-O 3.45Å; T602-R609 PolarHBondContact N-O 3.07Å; T602-R609 PolarHBondContact OG1-N 3.11Å; T602-R609 PolarHBondContact OG1-O 3.47Å; T602-E611 HydrophobicContact CG2-CB 3.61Å | ||
| 603 | R | 96.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 1% | 0.011 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -4 | -177.3 | -69.2 | 176 | 62.4 | -159.8 | 1.2 | 114.4 | L297 C298 I474 M601 Y605 | L297-R603 CarbonylContact C-O 3.49Å; L297-R603 WeakPolarHBondContact CA-O 3.49Å; L297-R603 HydrophobicContact CB-CB 4.08Å; L297-R603 HydrophobicContact CD2-CB 4.2Å; C298-R603 HydrophobicContact CB-CB 4.21Å; C298-R603 HydrophobicContact CB-CG 4.49Å; C298-R603 WeakPolarHBondContact CB-O 3.17Å; C298-R603 PolarHBondContact N-O 3.45Å; C298-R603 VanDerWaalsContact O-CZ 3.23Å; C298-R603 PolarHBondContact O-NE 3.08Å; C298-R603 PolarHBondContact O-NH2 2.96Å; I474-R603 VanDerWaalsContact CD1-CZ 3.46Å; M601-R603 HydrophobicContact CB-CG 4.37Å; M601-R603 HydrophobicContact SD-CB 4.25Å; R603-Y605 PolarHBondContact O-N 2.69Å |
| 604 | L | 96.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -12.8 | 163 | -70.3 | -176.5 | 0 | 0 | 0 | 113.3 | K129 L132 I292 V295 L297 T602 M656 | K129-L604 HydrophobicContact CD-CD1 4.31Å; L132-L604 HydrophobicContact CD1-CD1 3.61Å; I292-L604 HydrophobicContact CD1-CD2 4.41Å; V295-L604 HydrophobicContact CG1-CD2 3.81Å; L297-L604 HydrophobicContact CD2-CD2 3.87Å; L297-L604 HydrophobicContact CD2-CG 4.42Å; T602-L604 PolarHBondContact O-N 3.46Å; L604-M656 HydrophobicContact CD1-CG 3.62Å; L604-M656 HydrophobicContact CD1-SD 3.81Å; L604-M656 HydrophobicContact CG-CG 4.14Å; L604-M656 HydrophobicContact CG-SD 4.3Å |
| 605 | Y | 96.9 | Very high | 96.8 | Very high | 6 Ų | 6 | 16.5 Ų | 16.5 | 2% | 0.024 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -120.5 | 154.5 | 179.4 | -53.2 | -76.8 | 0 | 0 | 0 | 110.5 | P168 R169 L170 P171 C298 T602 R603 E607 G608 M656 C657 | P168-Y605 HydrophobicContact CB-CD1 4.13Å; P168-Y605 HydrophobicContact CG-CD1 3.75Å; P168-Y605 HydrophobicContact CG-CE1 4.15Å; P168-Y605 CarbonylContact O-C 3.53Å; P168-Y605 WeakPolarHBondContact O-CA 3.37Å; R169-Y605 VanDerWaalsContact O-CD1 3.28Å; R169-Y605 WeakPolarHBondContact O-CD1 3.47Å; L170-Y605 HydrophobicContact CB-CG 4.43Å; L170-Y605 HydrophobicContact CD1-CD2 3.33Å; L170-Y605 HydrophobicContact CD1-CE2 3.87Å; L170-Y605 HydrophobicContact CD1-CG 3.78Å; P171-Y605 HydrophobicContact CG-CD1 4.35Å; P171-Y605 HydrophobicContact CG-CE1 3.67Å; C298-Y605 WeakPolarHBondContact CB-O 3.21Å; T602-Y605 WeakPolarHBondContact O-CD2 3.47Å; T602-Y605 PolarHBondContact O-N 2.65Å; R603-Y605 PolarHBondContact O-N 2.69Å; Y605-E607 PolarHBondContact O-N 3.41Å; Y605-G608 PolarHBondContact O-N 2.96Å; Y605-M656 WeakPolarHBondContact CE2-O 3.27Å; Y605-C657 WeakPolarHBondContact OH-CA 3.33Å; Y605-C657 PolarHBondContact OH-O 3.41Å |
| 606 | R | 96 | Very high | 96.9 | Very high | 94 Ų | 94 | 15.9 Ų | 15.9 | 36% | 0.355 | 8% | 0.075 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 132.8 | 178.3 | -176.9 | 172.6 | 171.9 | 164.9 | -1.2 | 110.2 | L167 P168 N226 G608 | L167-R606 HydrophobicContact CB-CB 4.1Å; P168-R606 PolarHBondContact O-N 2.98Å; N226-R606 PolarHBondContact ND2-O 2.84Å; R606-G608 PolarHBondContact O-N 3.2Å |
| 607 | E | 95.8 | Very high | 96.9 | Very high | 57 Ų | 57 | 16.2 Ų | 16.2 | 27% | 0.266 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 18.6 | 179.5 | -67.2 | 154 | -138.5 | 0 | 0 | 114.5 | S225 N226 S229 C298 A300 Y605 R609 | S225-E607 WeakPolarHBondContact CB-OE1 3.25Å; S225-E607 VanDerWaalsContact CB-OE2 3.31Å; S225-E607 WeakPolarHBondContact CB-OE2 3.41Å; S225-E607 VanDerWaalsContact OG-CD 3.26Å; S225-E607 PolarHBondContact OG-OE1 2.88Å; S225-E607 PolarHBondContact OG-OE2 3.18Å; N226-E607 HydrophobicContact CB-CB 4.15Å; S229-E607 WeakPolarHBondContact CB-O 3.3Å; S229-E607 PolarHBondContact OG-O 3.31Å; C298-E607 PolarHBondContact SG-N 3.47Å; A300-E607 HydrophobicContact CB-CG 4.11Å; Y605-E607 PolarHBondContact O-N 3.41Å; E607-R609 PolarHBondContact O-N 3.26Å |
| 608 | G | 96.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -56.7 | 132.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q301 T602 Y605 R606 | Q301-G608 PolarHBondContact NE2-O 3.07Å; T602-G608 VanDerWaalsContact OG1-CA 3.22Å; T602-G608 WeakPolarHBondContact OG1-CA 3.32Å; Y605-G608 PolarHBondContact O-N 2.96Å; R606-G608 PolarHBondContact O-N 3.2Å | ||
| 609 | R | 95.2 | Very high | 96.9 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 3% | 0.026 | 10% | 0.103 | C | C | . | . | trans | -106.4 | -167.7 | 171.5 | -57.7 | -69.2 | -78.6 | 128.9 | -5.1 | 109.8 | Q301 H467 S468 A470 D471 T602 E607 | Q301-R609 VanDerWaalsContact OE1-NH1 3.13Å; H467-R609 PolarHBondContact O-NH2 3.22Å; S468-R609 PolarHBondContact O-NH2 3.5Å; A470-R609 PolarHBondContact O-NH2 3.47Å; D471-R609 IonicContact OD1-CZ 2.78Å; D471-R609 IonicContact OD1-NH1 3.19Å; D471-R609 PolarHBondContact OD1-NH1 3.01Å; D471-R609 IonicContact OD1-NH2 3.96Å; D471-R609 WeakPolarHBondContact OD2-CA 3.44Å; D471-R609 IonicContact OD2-NH1 2.74Å; D471-R609 PolarHBondContact OD2-NH1 3.36Å; T602-R609 WeakPolarHBondContact CB-O 3.45Å; T602-R609 PolarHBondContact N-O 3.07Å; T602-R609 PolarHBondContact OG1-N 3.11Å; T602-R609 PolarHBondContact OG1-O 3.47Å; E607-R609 PolarHBondContact O-N 3.26Å | ||
| 610 | T | 95 | Very high | 97 | Very high | 11 Ų | 11 | 20.4 Ų | 20.4 | 7% | 0.067 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 139.6 | 174.1 | -168.2 | 0 | 0 | 0 | 0 | 112.8 | W232 D471 Y597 C600 R663 | W232-T610 HydrophobicContact CZ2-CG2 3.65Å; D471-T610 PolarHBondContact OD1-N 3.03Å; D471-T610 PolarHBondContact OD2-N 3.34Å; Y597-T610 PolarHBondContact OH-OG1 2.78Å; C600-T610 CarbonylContact O-C 3.38Å; C600-T610 WeakPolarHBondContact O-CA 3.24Å; T610-R663 PolarHBondContact O-NE 2.87Å |
| 611 | E | 97.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.019 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 173.9 | 157.9 | 178.8 | 56 | -82 | 0 | 0 | 108 | C600 T602 A655 R663 | C600-E611 PolarHBondContact N-O 2.92Å; C600-E611 PolarHBondContact O-N 3.44Å; T602-E611 HydrophobicContact CG2-CB 3.61Å; E611-A655 HydrophobicContact CG-CB 3.98Å; E611-R663 HydrophobicContact CB-CG 4.38Å; E611-R663 WeakPolarHBondContact OE1-CG 3.45Å; E611-R663 PolarHBondContact OE1-N 2.83Å; E611-R663 VanDerWaalsContact OE1-N 3.15Å; E611-R663 IonicContact OE1-NH1 3.33Å; E611-R663 WeakPolarHBondContact OE2-CB 3.33Å |
| 612 | T | 97.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 3% | 0.025 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.6 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | Y597 E598 R614 D662 R663 W690 | Y597-T612 HydrophobicContact CD2-CG2 3.53Å; Y597-T612 WeakPolarHBondContact CD2-OG1 3.37Å; Y597-T612 HydrophobicContact CE2-CG2 3.9Å; Y597-T612 WeakPolarHBondContact CE2-OG1 3.34Å; Y597-T612 HydrophobicContact CG-CG2 4.09Å; E598-T612 WeakPolarHBondContact O-CA 3.36Å; T612-R614 HydrophobicContact CG2-CG 4.27Å; T612-D662 WeakPolarHBondContact CB-OD2 3.3Å; T612-R663 PolarHBondContact OG1-NH1 3.42Å; T612-R663 PolarHBondContact OG1-NH2 3.49Å; T612-W690 HydrophobicContact CG2-CH2 3.78Å; T612-W690 HydrophobicContact CG2-CZ2 4.36Å; T612-W690 HydrophobicContact CG2-CZ3 4.1Å |
| 613 | V | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.024 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 139.8 | 157.2 | 175.3 | 0 | 0 | 0 | 0 | 107.1 | E598 C600 P615 Y652 A655 | E598-V613 HydrophobicContact CB-CB 3.98Å; E598-V613 HydrophobicContact CG-CB 4.3Å; E598-V613 PolarHBondContact N-O 3.42Å; E598-V613 PolarHBondContact O-N 3Å; E598-V613 WeakPolarHBondContact OE2-CG1 3.49Å; C600-V613 HydrophobicContact CB-CG2 3.71Å; V613-P615 WeakPolarHBondContact O-CD 3.38Å; V613-Y652 HydrophobicContact CG2-CD2 3.81Å; V613-Y652 HydrophobicContact CG2-CG 4.25Å; V613-A655 HydrophobicContact CG2-CB 3.54Å |
| 614 | R | 97.6 | Very high | 97.5 | Very high | 28 Ų | 28 | 19.7 Ų | 19.7 | 11% | 0.106 | 9% | 0.093 | C | C | . | . | trans | -108.1 | 94.8 | 175.9 | -67.1 | -178.9 | 171.1 | -128.6 | -7.1 | 108 | S185 T612 V616 D662 W690 | S185-R614 WeakPolarHBondContact OG-CD 3.29Å; S185-R614 PolarHBondContact OG-NH1 3.08Å; T612-R614 HydrophobicContact CG2-CG 4.27Å; R614-V616 VanDerWaalsContact C-N 3.28Å; R614-V616 PolarHBondContact O-N 3.26Å; R614-D662 IonicContact CZ-OD1 2.73Å; R614-D662 IonicContact CZ-OD2 2.8Å; R614-D662 IonicContact NE-OD1 2.76Å; R614-D662 PolarHBondContact NE-OD1 2.78Å; R614-D662 IonicContact NE-OD2 3.88Å; R614-D662 PolarHBondContact NE-OD2 2.83Å; R614-D662 IonicContact NH2-OD1 3.86Å; R614-D662 PolarHBondContact NH2-OD1 3.47Å; R614-D662 IonicContact NH2-OD2 2.67Å; R614-W690 HydrophobicContact CG-CH2 4.24Å; R614-W690 HydrophobicContact CG-CZ3 4.36Å | ||
| 615 | P | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | trans | -67.8 | -23.6 | -173.4 | -25.8 | 37.5 | 0 | 0 | 0 | 114.6 | Q579 T596 E598 V613 T617 S620 | Q579-P615 HydrophobicContact CB-CB 4.46Å; T596-P615 HydrophobicContact CG2-CB 4.33Å; T596-P615 HydrophobicContact CG2-CG 3.8Å; T596-P615 WeakPolarHBondContact O-CD 3.46Å; E598-P615 HydrophobicContact CB-CG 3.87Å; E598-P615 WeakPolarHBondContact OE2-CG 3.4Å; V613-P615 WeakPolarHBondContact O-CD 3.38Å; P615-T617 PolarHBondContact O-N 3Å; P615-S620 PolarHBondContact O-OG 2.87Å | ||
| 616 | V | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.018 | 12% | 0.117 | C | C | . | . | trans | -75 | 114.4 | 177.6 | -170.7 | 0 | 0 | 0 | 0 | 110.4 | P188 L189 F593 C594 R614 S620 C621 | P188-V616 HydrophobicContact CB-CG1 4.5Å; P188-V616 HydrophobicContact CG-CG1 4.16Å; L189-V616 HydrophobicContact CD2-CB 4.19Å; L189-V616 HydrophobicContact CD2-CG1 3.68Å; L189-V616 HydrophobicContact CD2-CG2 4.47Å; L189-V616 HydrophobicContact CG-CB 4.5Å; L189-V616 HydrophobicContact CG-CG1 4.06Å; F593-V616 HydrophobicContact CB-CG1 4.34Å; C594-V616 WeakPolarHBondContact O-CG2 3.33Å; R614-V616 VanDerWaalsContact C-N 3.28Å; R614-V616 PolarHBondContact O-N 3.26Å; V616-S620 WeakPolarHBondContact CA-OG 3.35Å; V616-C621 VanDerWaalsContact CG1-SG 3.58Å | ||
| 617 | T | 98.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 22 Ų | 22 | 5% | 0.049 | 10% | 0.104 | C | C | . | . | trans | -138.4 | 167.8 | -176.9 | 56.5 | 0 | 0 | 0 | 0 | 109.1 | P615 E619 S620 C621 R647 | P615-T617 PolarHBondContact O-N 3Å; T617-E619 PolarHBondContact O-N 2.8Å; T617-S620 PolarHBondContact N-OG 3.17Å; T617-S620 PolarHBondContact O-N 3.01Å; T617-S620 PolarHBondContact O-OG 3.45Å; T617-S620 PolarHBondContact OG1-N 3.39Å; T617-S620 VanDerWaalsContact OG1-N 3.15Å; T617-S620 PolarHBondContact OG1-OG 2.8Å; T617-C621 WeakPolarHBondContact O-CB 3.38Å; T617-C621 PolarHBondContact O-N 3.18Å; T617-C621 PolarHBondContact O-SG 2.79Å; T617-C621 VanDerWaalsContact O-SG 3.37Å; T617-R647 HydrophobicContact CG2-CG 4.06Å | ||
| 618 | K | 98.3 | Very high | 97.9 | Very high | 103 Ų | 103 | 22.8 Ų | 22.8 | 45% | 0.448 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -56.4 | -40 | 174.2 | -64.4 | -177.9 | -175.1 | -175.9 | 0 | 111.3 | E187 C621 A622 | E187-K618 WeakPolarHBondContact OE1-CE 3.44Å; E187-K618 IonicContact OE1-NZ 2.76Å; E187-K618 PolarHBondContact OE1-NZ 2.55Å; E187-K618 WeakPolarHBondContact OE2-CE 3.46Å; E187-K618 IonicContact OE2-NZ 2.86Å; E187-K618 PolarHBondContact OE2-NZ 3.49Å; K618-C621 PolarHBondContact O-N 3.28Å; K618-A622 VanDerWaalsContact O-CB 3.27Å; K618-A622 WeakPolarHBondContact O-CB 2.77Å; K618-A622 PolarHBondContact O-N 2.89Å |
| 619 | E | 98.7 | Very high | 98 | Very high | 48 Ų | 48 | 25.8 Ų | 25.8 | 22% | 0.224 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.8 | -45.6 | 180 | -62.6 | 81.6 | 172.7 | 0 | 0 | 111.6 | T617 C621 A622 F623 K643 A644 R647 | T617-E619 PolarHBondContact O-N 2.8Å; E619-C621 PolarHBondContact O-N 3.02Å; E619-A622 PolarHBondContact O-N 3.49Å; E619-F623 PolarHBondContact O-N 3.4Å; E619-K643 HydrophobicContact CG-CD 4.24Å; E619-K643 HydrophobicContact CG-CG 4.01Å; E619-A644 HydrophobicContact CB-CB 4.12Å; E619-R647 HydrophobicContact CB-CB 4.17Å; E619-R647 HydrophobicContact CB-CG 4.4Å; E619-R647 HydrophobicContact CG-CB 4.07Å; E619-R647 HydrophobicContact CG-CG 4.24Å |
| 620 | S | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 176.1 | 70.3 | 0 | 0 | 0 | 0 | 111.8 | M580 P615 V616 T617 F623 V624 | M580-S620 WeakPolarHBondContact SD-CB 3.36Å; P615-S620 PolarHBondContact O-OG 2.87Å; V616-S620 WeakPolarHBondContact CA-OG 3.35Å; T617-S620 PolarHBondContact N-OG 3.17Å; T617-S620 PolarHBondContact O-N 3.01Å; T617-S620 PolarHBondContact O-OG 3.45Å; T617-S620 PolarHBondContact OG1-N 3.39Å; T617-S620 VanDerWaalsContact OG1-N 3.15Å; T617-S620 PolarHBondContact OG1-OG 2.8Å; S620-F623 PolarHBondContact O-N 3.2Å; S620-V624 WeakPolarHBondContact O-CG2 2.88Å; S620-V624 PolarHBondContact O-N 3.16Å |
| 621 | C | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.4 | -37.6 | 177.7 | -69.2 | 0 | 0 | 0 | 0 | 112.4 | P188 F593 V616 T617 K618 E619 V624 R625 | P188-C621 HydrophobicContact CB-CB 4.4Å; F593-C621 VanDerWaalsContact CD1-SG 3.55Å; F593-C621 HydrophobicContact CD2-CB 4.41Å; F593-C621 HydrophobicContact CE1-CB 4.09Å; F593-C621 VanDerWaalsContact CE1-SG 3.59Å; F593-C621 HydrophobicContact CE2-CB 3.87Å; F593-C621 HydrophobicContact CZ-CB 3.7Å; V616-C621 VanDerWaalsContact CG1-SG 3.58Å; T617-C621 WeakPolarHBondContact O-CB 3.38Å; T617-C621 PolarHBondContact O-N 3.18Å; T617-C621 PolarHBondContact O-SG 2.79Å; T617-C621 VanDerWaalsContact O-SG 3.37Å; K618-C621 PolarHBondContact O-N 3.28Å; E619-C621 PolarHBondContact O-N 3.02Å; C621-V624 PolarHBondContact O-N 3.29Å; C621-R625 WeakPolarHBondContact O-CB 3.33Å; C621-R625 VanDerWaalsContact O-CG 3.29Å; C621-R625 WeakPolarHBondContact O-CG 3.23Å; C621-R625 PolarHBondContact O-N 2.94Å |
| 622 | A | 98.7 | Very high | 98.2 | Very high | 35 Ų | 35 | 38 Ų | 38 | 29% | 0.289 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K618 E619 R625 A626 L640 | K618-A622 VanDerWaalsContact O-CB 3.27Å; K618-A622 WeakPolarHBondContact O-CB 2.77Å; K618-A622 PolarHBondContact O-N 2.89Å; E619-A622 PolarHBondContact O-N 3.49Å; A622-R625 PolarHBondContact O-N 2.71Å; A622-A626 VanDerWaalsContact O-CB 3.3Å; A622-A626 WeakPolarHBondContact O-CB 3.28Å; A622-A626 PolarHBondContact O-N 3.34Å; A622-L640 HydrophobicContact CB-CD2 4.17Å |
| 623 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.5 | -50.7 | 174.1 | 163.6 | -108.5 | 0 | 0 | 0 | 112.2 | M580 E619 S620 R625 A626 M627 L640 L641 A644 I769 L772 | M580-F623 HydrophobicContact CB-CD1 4Å; M580-F623 HydrophobicContact CB-CE1 3.8Å; M580-F623 HydrophobicContact CG-CD1 4.32Å; M580-F623 HydrophobicContact SD-CD1 4.39Å; E619-F623 PolarHBondContact O-N 3.4Å; S620-F623 PolarHBondContact O-N 3.2Å; F623-R625 PolarHBondContact O-N 2.9Å; F623-A626 WeakPolarHBondContact O-CB 3.32Å; F623-A626 PolarHBondContact O-N 2.92Å; F623-M627 HydrophobicContact CD2-CG 4.11Å; F623-M627 HydrophobicContact CE1-CG 4.33Å; F623-M627 HydrophobicContact CE2-CG 3.46Å; F623-M627 VanDerWaalsContact CE2-CG 3.46Å; F623-M627 HydrophobicContact CE2-SD 3.86Å; F623-M627 HydrophobicContact CZ-CG 3.59Å; F623-M627 HydrophobicContact CZ-SD 4.2Å; F623-M627 WeakPolarHBondContact O-CG 3.4Å; F623-M627 PolarHBondContact O-N 2.99Å; F623-L640 HydrophobicContact CB-CB 4.1Å; F623-L641 HydrophobicContact CD1-CD1 4.38Å; F623-L641 HydrophobicContact CD2-CB 3.63Å; F623-L641 HydrophobicContact CD2-CD1 4.26Å; F623-L641 HydrophobicContact CE1-CD1 4.07Å; F623-L641 HydrophobicContact CE2-CB 3.67Å; F623-L641 HydrophobicContact CE2-CD1 3.94Å; F623-L641 HydrophobicContact CE2-CD2 4.45Å; F623-L641 HydrophobicContact CE2-CG 4.22Å; F623-L641 HydrophobicContact CG-CB 4.38Å; F623-L641 HydrophobicContact CG-CD1 4.48Å; F623-L641 HydrophobicContact CZ-CB 4.44Å; F623-L641 HydrophobicContact CZ-CD1 3.84Å; F623-A644 HydrophobicContact CB-CB 4.23Å; F623-I769 HydrophobicContact CE1-CD1 4.32Å; F623-I769 HydrophobicContact CZ-CD1 3.94Å; F623-I769 HydrophobicContact CZ-CG1 3.95Å; F623-L772 HydrophobicContact CE2-CD1 4.45Å |
| 624 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.4 | -43.1 | -178.8 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | Q583 L584 Y587 F593 S620 C621 A626 M627 E628 | Q583-V624 HydrophobicContact CB-CG2 3.9Å; L584-V624 HydrophobicContact CB-CG2 4.24Å; L584-V624 HydrophobicContact CD1-CG1 4.09Å; Y587-V624 HydrophobicContact CD1-CG1 3.73Å; Y587-V624 HydrophobicContact CD2-CG1 4.15Å; Y587-V624 HydrophobicContact CE1-CG1 4.48Å; Y587-V624 HydrophobicContact CG-CG1 3.53Å; F593-V624 HydrophobicContact CE1-CB 3.74Å; F593-V624 HydrophobicContact CE1-CG1 3.7Å; F593-V624 HydrophobicContact CE1-CG2 4.13Å; F593-V624 HydrophobicContact CZ-CB 3.91Å; F593-V624 HydrophobicContact CZ-CG1 3.83Å; S620-V624 WeakPolarHBondContact O-CG2 2.88Å; S620-V624 PolarHBondContact O-N 3.16Å; C621-V624 PolarHBondContact O-N 3.29Å; V624-A626 VanDerWaalsContact C-N 3.34Å; V624-A626 PolarHBondContact O-N 3.43Å; V624-M627 WeakPolarHBondContact O-CB 3.41Å; V624-M627 PolarHBondContact O-N 3.46Å; V624-E628 PolarHBondContact O-N 2.61Å |
| 625 | R | 98.6 | Very high | 98 | Very high | 129 Ų | 129 | 47.7 Ų | 47.7 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 176 | -72.6 | 174.2 | -178.2 | 132.5 | 0.7 | 111.9 | F593 C621 A622 F623 M627 E628 D629 | F593-R625 HydrophobicContact CE2-CG 4.4Å; F593-R625 HydrophobicContact CZ-CG 4.3Å; C621-R625 WeakPolarHBondContact O-CB 3.33Å; C621-R625 VanDerWaalsContact O-CG 3.29Å; C621-R625 WeakPolarHBondContact O-CG 3.23Å; C621-R625 PolarHBondContact O-N 2.94Å; A622-R625 PolarHBondContact O-N 2.71Å; F623-R625 PolarHBondContact O-N 2.9Å; R625-M627 VanDerWaalsContact C-N 3.3Å; R625-M627 PolarHBondContact O-N 2.98Å; R625-E628 PolarHBondContact O-N 3.03Å; R625-E628 VanDerWaalsContact O-N 3.16Å; R625-D629 PolarHBondContact O-N 3.3Å |
| 626 | A | 98.6 | Very high | 98 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 5% | 0.05 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -32.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A622 F623 V624 E628 V632 R637 L640 | A622-A626 VanDerWaalsContact O-CB 3.3Å; A622-A626 WeakPolarHBondContact O-CB 3.28Å; A622-A626 PolarHBondContact O-N 3.34Å; F623-A626 WeakPolarHBondContact O-CB 3.32Å; F623-A626 PolarHBondContact O-N 2.92Å; V624-A626 VanDerWaalsContact C-N 3.34Å; V624-A626 PolarHBondContact O-N 3.43Å; A626-E628 VanDerWaalsContact C-N 3.31Å; A626-V632 HydrophobicContact CB-CB 4.45Å; A626-V632 HydrophobicContact CB-CG1 3.95Å; A626-R637 HydrophobicContact CB-CG 4.18Å; A626-R637 PolarHBondContact O-NE 2.92Å; A626-L640 HydrophobicContact CB-CD1 3.45Å; A626-L640 VanDerWaalsContact CB-CD1 3.45Å |
| 627 | M | 98.4 | Very high | 98 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.3 | -31.3 | 173.5 | -74.1 | -63.3 | -66.3 | 0 | 0 | 113 | L584 F623 V624 R625 R637 D768 I769 L772 | L584-M627 HydrophobicContact CD1-CB 3.77Å; L584-M627 HydrophobicContact CD1-CG 4.35Å; L584-M627 HydrophobicContact CD2-CB 4.28Å; L584-M627 HydrophobicContact CD2-CE 3.98Å; L584-M627 HydrophobicContact CD2-CG 4.15Å; F623-M627 HydrophobicContact CD2-CG 4.11Å; F623-M627 HydrophobicContact CE1-CG 4.33Å; F623-M627 HydrophobicContact CE2-CG 3.46Å; F623-M627 VanDerWaalsContact CE2-CG 3.46Å; F623-M627 HydrophobicContact CE2-SD 3.86Å; F623-M627 HydrophobicContact CZ-CG 3.59Å; F623-M627 HydrophobicContact CZ-SD 4.2Å; F623-M627 WeakPolarHBondContact O-CG 3.4Å; F623-M627 PolarHBondContact O-N 2.99Å; V624-M627 WeakPolarHBondContact O-CB 3.41Å; V624-M627 PolarHBondContact O-N 3.46Å; R625-M627 VanDerWaalsContact C-N 3.3Å; R625-M627 PolarHBondContact O-N 2.98Å; M627-R637 HydrophobicContact SD-CB 4.16Å; M627-R637 HydrophobicContact SD-CG 4.2Å; M627-D768 HydrophobicContact CE-CB 3.9Å; M627-I769 HydrophobicContact CE-CG1 4.34Å; M627-L772 HydrophobicContact CE-CD1 4.43Å; M627-L772 HydrophobicContact CE-CD2 4.48Å; M627-L772 HydrophobicContact SD-CD1 3.71Å; M627-L772 HydrophobicContact SD-CD2 4.04Å; M627-L772 HydrophobicContact SD-CG 4.24Å |
| 628 | E | 98 | Very high | 98 | Very high | 72 Ų | 72 | 56 Ų | 56 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -91.3 | -15.3 | -178.8 | -62.6 | -63.3 | 113.7 | 0 | 0 | 113.3 | Y587 R588 V624 R625 A626 P630 | Y587-E628 HydrophobicContact CD1-CG 4.07Å; Y587-E628 HydrophobicContact CE1-CG 4.01Å; R588-E628 IonicContact CZ-OE1 2.78Å; R588-E628 IonicContact NE-OE1 3.9Å; R588-E628 PolarHBondContact NE-OE1 2.86Å; R588-E628 IonicContact NH2-OE1 3.77Å; R588-E628 PolarHBondContact NH2-OE1 2.83Å; V624-E628 PolarHBondContact O-N 2.61Å; R625-E628 PolarHBondContact O-N 3.03Å; R625-E628 VanDerWaalsContact O-N 3.16Å; A626-E628 VanDerWaalsContact C-N 3.31Å; E628-P630 WeakPolarHBondContact O-CD 3.39Å |
| 629 | D | 98 | Very high | 98 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 34% | 0.337 | 29% | 0.285 | S | S | . | . | trans | -87.9 | 113.3 | 176.5 | -172.7 | -12.9 | 0 | 0 | 0 | 110.8 | R625 N631 V632 R637 | R625-D629 PolarHBondContact O-N 3.3Å; D629-N631 PolarHBondContact O-N 3.01Å; D629-N631 WeakPolarHBondContact OD1-CB 3.15Å; D629-N631 PolarHBondContact OD1-N 3.23Å; D629-N631 PolarHBondContact OD1-ND2 3.49Å; D629-V632 HydrophobicContact CB-CB 4.49Å; D629-V632 HydrophobicContact CB-CG2 3.79Å; D629-V632 PolarHBondContact O-N 3.3Å; D629-R637 PolarHBondContact O-NH2 3.49Å | ||
| 630 | P | 96.4 | Very high | 98 | Very high | 112 Ų | 112 | 55 Ų | 55 | 73% | 0.727 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.5 | 179.5 | 28.4 | -35.6 | 0 | 0 | 0 | 113.6 | E628 | E628-P630 WeakPolarHBondContact O-CD 3.39Š|
| 631 | N | 97.9 | Very high | 98 | Very high | 133 Ų | 133 | 55 Ų | 55 | 71% | 0.711 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11.6 | -179.7 | -54.2 | -66.4 | 0 | 0 | 0 | 113 | D629 | D629-N631 PolarHBondContact O-N 3.01Å; D629-N631 WeakPolarHBondContact OD1-CB 3.15Å; D629-N631 PolarHBondContact OD1-N 3.23Å; D629-N631 PolarHBondContact OD1-ND2 3.49Å |
| 632 | V | 97.7 | Very high | 97.9 | Very high | 33 Ų | 33 | 58.6 Ų | 58.6 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -87.4 | 123.4 | 179.9 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | A626 D629 E636 R637 | A626-V632 HydrophobicContact CB-CB 4.45Å; A626-V632 HydrophobicContact CB-CG1 3.95Å; D629-V632 HydrophobicContact CB-CB 4.49Å; D629-V632 HydrophobicContact CB-CG2 3.79Å; D629-V632 PolarHBondContact O-N 3.3Å; V632-E636 HydrophobicContact CG1-CB 3.75Å; V632-E636 HydrophobicContact CG1-CG 3.74Å; V632-R637 HydrophobicContact CG1-CG 4.08Å; V632-R637 PolarHBondContact O-NE 3.18Å; V632-R637 PolarHBondContact O-NH2 3.01Å |
| 633 | Q | 96.8 | Very high | 97.9 | Very high | 139 Ų | 139 | 61.6 Ų | 61.6 | 65% | 0.65 | 30% | 0.304 | S | S | * | . | trans | -65.8 | 149 | 179.4 | -63.2 | -63.2 | -32.6 | 0 | 0 | 112.2 | S635 E636 R637 | Q633-S635 PolarHBondContact O-N 2.97Å; Q633-E636 PolarHBondContact O-N 3.49Å; Q633-R637 PolarHBondContact O-N 2.59Å; Q633-R637 VanDerWaalsContact O-N 3.12Å | ||
| 634 | N | 96.9 | Very high | 97.9 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 16% | 0.16 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60 | -29.8 | 179.5 | -77.2 | -14.8 | 0 | 0 | 0 | 113.1 | E636 R637 R638 L772 E775 | N634-E636 VanDerWaalsContact C-N 3.33Å; N634-E636 PolarHBondContact O-N 3.07Å; N634-R637 PolarHBondContact O-N 2.88Å; N634-R637 WeakPolarHBondContact OD1-CD 3.46Å; N634-R637 PolarHBondContact OD1-NH1 3.47Å; N634-R638 WeakPolarHBondContact O-CG 3.5Å; N634-R638 PolarHBondContact O-N 2.79Å; N634-L772 HydrophobicContact CB-CD2 4.2Å; N634-L772 WeakPolarHBondContact OD1-CD2 3.47Å; N634-E775 VanDerWaalsContact ND2-CD 3.32Å; N634-E775 PolarHBondContact ND2-OE1 2.91Å; N634-E775 PolarHBondContact ND2-OE2 3.08Å |
| 635 | S | 96.1 | Very high | 97.9 | Very high | 71 Ų | 71 | 61.7 Ų | 61.7 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 172.4 | 56.9 | 0 | 0 | 0 | 0 | 113 | Q633 F639 | Q633-S635 PolarHBondContact O-N 2.97Å; S635-F639 PolarHBondContact O-N 3.41Å; S635-F639 VanDerWaalsContact O-N 3.11Å |
| 636 | E | 98.1 | Very high | 97.8 | Very high | 80 Ų | 80 | 60 Ų | 60 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -74 | -39.8 | 178.3 | -178.5 | 60.2 | -165.1 | 0 | 0 | 110.9 | V632 Q633 N634 R638 F639 L640 | V632-E636 HydrophobicContact CG1-CB 3.75Å; V632-E636 HydrophobicContact CG1-CG 3.74Å; Q633-E636 PolarHBondContact O-N 3.49Å; N634-E636 VanDerWaalsContact C-N 3.33Å; N634-E636 PolarHBondContact O-N 3.07Å; E636-R638 VanDerWaalsContact C-N 3.32Å; E636-R638 PolarHBondContact O-N 3.18Å; E636-F639 PolarHBondContact O-N 2.85Å; E636-L640 HydrophobicContact CG-CD1 4.05Å; E636-L640 HydrophobicContact CG-CG 4.42Å; E636-L640 WeakPolarHBondContact O-CB 3.24Å; E636-L640 WeakPolarHBondContact O-CG 3.25Å; E636-L640 PolarHBondContact O-N 3.41Å |
| 637 | R | 98.3 | Very high | 97.8 | Very high | 38 Ų | 38 | 63.2 Ų | 63.2 | 14% | 0.143 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.6 | -44.5 | 173.2 | -66.4 | 173.7 | 178.4 | 162.7 | -2.7 | 111.7 | A626 M627 D629 V632 Q633 N634 L640 L641 L772 | A626-R637 HydrophobicContact CB-CG 4.18Å; A626-R637 PolarHBondContact O-NE 2.92Å; M627-R637 HydrophobicContact SD-CB 4.16Å; M627-R637 HydrophobicContact SD-CG 4.2Å; D629-R637 PolarHBondContact O-NH2 3.49Å; V632-R637 HydrophobicContact CG1-CG 4.08Å; V632-R637 PolarHBondContact O-NE 3.18Å; V632-R637 PolarHBondContact O-NH2 3.01Å; Q633-R637 PolarHBondContact O-N 2.59Å; Q633-R637 VanDerWaalsContact O-N 3.12Å; N634-R637 PolarHBondContact O-N 2.88Å; N634-R637 WeakPolarHBondContact OD1-CD 3.46Å; N634-R637 PolarHBondContact OD1-NH1 3.47Å; R637-L640 PolarHBondContact O-N 3.21Å; R637-L641 WeakPolarHBondContact O-CB 3.36Å; R637-L641 PolarHBondContact O-N 3.43Å; R637-L772 HydrophobicContact CB-CD1 3.96Å; R637-L772 HydrophobicContact CB-CD2 3.92Å |
| 638 | R | 97.5 | Very high | 97.8 | Very high | 68 Ų | 68 | 62.7 Ų | 62.7 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 174.5 | -75.6 | -171.1 | -70.3 | -110.5 | 12.7 | 112.1 | N634 E636 L641 Q642 L772 F773 E775 | N634-R638 WeakPolarHBondContact O-CG 3.5Å; N634-R638 PolarHBondContact O-N 2.79Å; E636-R638 VanDerWaalsContact C-N 3.32Å; E636-R638 PolarHBondContact O-N 3.18Å; R638-L641 PolarHBondContact O-N 3.05Å; R638-Q642 WeakPolarHBondContact O-CG 3.09Å; R638-Q642 PolarHBondContact O-N 2.89Å; R638-L772 WeakPolarHBondContact CD-O 3.4Å; R638-L772 HydrophobicContact CG-CB 3.91Å; R638-L772 WeakPolarHBondContact CG-O 3.43Å; R638-L772 PolarHBondContact NH1-O 2.93Å; R638-F773 HydrophobicContact CG-CD1 4.36Å; R638-F773 HydrophobicContact CG-CE1 4.04Å; R638-F773 HydrophobicContact CG-CZ 4.13Å; R638-E775 PolarHBondContact NH1-OXT 2.77Å |
| 639 | F | 97.8 | Very high | 97.7 | Very high | 109 Ų | 109 | 63.5 Ų | 63.5 | 48% | 0.478 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 178.5 | 173.1 | -108.2 | 0 | 0 | 0 | 111.8 | S635 E636 Q642 K643 | S635-F639 PolarHBondContact O-N 3.41Å; S635-F639 VanDerWaalsContact O-N 3.11Å; E636-F639 PolarHBondContact O-N 2.85Å; F639-Q642 PolarHBondContact O-N 2.81Å; F639-K643 WeakPolarHBondContact O-CB 3.35Å; F639-K643 PolarHBondContact O-N 2.86Å |
| 640 | L | 98.6 | Very high | 97.6 | Very high | 23 Ų | 23 | 68.2 Ų | 68.2 | 12% | 0.12 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 178.1 | -68.4 | 172.1 | 0 | 0 | 0 | 112.3 | A622 F623 A626 E636 R637 K643 A644 | A622-L640 HydrophobicContact CB-CD2 4.17Å; F623-L640 HydrophobicContact CB-CB 4.1Å; A626-L640 HydrophobicContact CB-CD1 3.45Å; A626-L640 VanDerWaalsContact CB-CD1 3.45Å; E636-L640 HydrophobicContact CG-CD1 4.05Å; E636-L640 HydrophobicContact CG-CG 4.42Å; E636-L640 WeakPolarHBondContact O-CB 3.24Å; E636-L640 WeakPolarHBondContact O-CG 3.25Å; E636-L640 PolarHBondContact O-N 3.41Å; R637-L640 PolarHBondContact O-N 3.21Å; L640-K643 PolarHBondContact O-N 2.91Å; L640-A644 VanDerWaalsContact O-CB 3.3Å; L640-A644 WeakPolarHBondContact O-CB 3.42Å; L640-A644 PolarHBondContact O-N 3.12Å |
| 641 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.2 | -50.8 | 173.2 | 175.5 | 60.3 | 0 | 0 | 0 | 111.3 | F577 M580 F623 R637 R638 K643 A644 C645 I769 F773 | F577-L641 HydrophobicContact CE2-CD2 4.42Å; M580-L641 HydrophobicContact CB-CD1 3.83Å; M580-L641 HydrophobicContact CG-CD1 3.99Å; F623-L641 HydrophobicContact CD1-CD1 4.38Å; F623-L641 HydrophobicContact CD2-CB 3.63Å; F623-L641 HydrophobicContact CD2-CD1 4.26Å; F623-L641 HydrophobicContact CE1-CD1 4.07Å; F623-L641 HydrophobicContact CE2-CB 3.67Å; F623-L641 HydrophobicContact CE2-CD1 3.94Å; F623-L641 HydrophobicContact CE2-CD2 4.45Å; F623-L641 HydrophobicContact CE2-CG 4.22Å; F623-L641 HydrophobicContact CG-CB 4.38Å; F623-L641 HydrophobicContact CG-CD1 4.48Å; F623-L641 HydrophobicContact CZ-CB 4.44Å; F623-L641 HydrophobicContact CZ-CD1 3.84Å; R637-L641 WeakPolarHBondContact O-CB 3.36Å; R637-L641 PolarHBondContact O-N 3.43Å; R638-L641 PolarHBondContact O-N 3.05Å; L641-K643 VanDerWaalsContact C-N 3.34Å; L641-K643 PolarHBondContact O-N 2.88Å; L641-A644 PolarHBondContact O-N 3.38Å; L641-C645 PolarHBondContact O-N 3.06Å; L641-C645 PolarHBondContact O-SG 3.46Å; L641-I769 HydrophobicContact CD2-CG2 3.69Å; L641-F773 HydrophobicContact CD2-CE2 3.64Å; L641-F773 HydrophobicContact CD2-CZ 3.82Å |
| 642 | Q | 97.7 | Very high | 97.6 | Very high | 75 Ų | 75 | 59.3 Ų | 59.3 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 179.2 | -73.3 | 176.2 | -18.7 | 0 | 0 | 111.2 | C570 T572 R638 F639 A644 C645 E646 | C570-Q642 PolarHBondContact O-NE2 2.79Å; T572-Q642 HydrophobicContact CG2-CG 4.27Å; R638-Q642 WeakPolarHBondContact O-CG 3.09Å; R638-Q642 PolarHBondContact O-N 2.89Å; F639-Q642 PolarHBondContact O-N 2.81Å; Q642-A644 VanDerWaalsContact C-N 3.32Å; Q642-A644 PolarHBondContact O-N 3.26Å; Q642-C645 PolarHBondContact O-N 3.18Å; Q642-E646 WeakPolarHBondContact O-CG 3.44Å; Q642-E646 PolarHBondContact O-N 3.13Å |
| 643 | K | 98.2 | Very high | 97.6 | Very high | 98 Ų | 98 | 59.1 Ų | 59.1 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 176.9 | -170.5 | -179.7 | -180 | 179.5 | 0 | 112.2 | E619 F639 L640 L641 E646 R647 | E619-K643 HydrophobicContact CG-CD 4.24Å; E619-K643 HydrophobicContact CG-CG 4.01Å; F639-K643 WeakPolarHBondContact O-CB 3.35Å; F639-K643 PolarHBondContact O-N 2.86Å; L640-K643 PolarHBondContact O-N 2.91Å; L641-K643 VanDerWaalsContact C-N 3.34Å; L641-K643 PolarHBondContact O-N 2.88Å; K643-E646 PolarHBondContact O-N 3.3Å; K643-R647 WeakPolarHBondContact O-CB 3.4Å; K643-R647 PolarHBondContact O-N 2.72Å |
| 644 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.2 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M580 E619 F623 L640 L641 Q642 R647 H648 | M580-A644 HydrophobicContact CG-CB 4.05Å; M580-A644 HydrophobicContact SD-CB 3.49Å; M580-A644 WeakPolarHBondContact SD-CB 3.36Å; E619-A644 HydrophobicContact CB-CB 4.12Å; F623-A644 HydrophobicContact CB-CB 4.23Å; L640-A644 VanDerWaalsContact O-CB 3.3Å; L640-A644 WeakPolarHBondContact O-CB 3.42Å; L640-A644 PolarHBondContact O-N 3.12Å; L641-A644 PolarHBondContact O-N 3.38Å; Q642-A644 VanDerWaalsContact C-N 3.32Å; Q642-A644 PolarHBondContact O-N 3.26Å; A644-R647 PolarHBondContact O-N 3.26Å; A644-H648 WeakPolarHBondContact O-CB 3.27Å; A644-H648 PolarHBondContact O-N 3.4Å |
| 645 | C | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 174.8 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | T572 L641 Q642 H648 Q649 | T572-C645 HydrophobicContact CG2-CB 4.12Å; L641-C645 PolarHBondContact O-N 3.06Å; L641-C645 PolarHBondContact O-SG 3.46Å; Q642-C645 PolarHBondContact O-N 3.18Å; C645-H648 PolarHBondContact O-N 2.88Å; C645-Q649 WeakPolarHBondContact O-CB 3.36Å; C645-Q649 PolarHBondContact O-N 3.3Å |
| 646 | E | 97 | Very high | 97.6 | Very high | 94 Ų | 94 | 49.6 Ų | 49.6 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64 | -43.3 | 174.8 | -74.2 | -175.2 | 162.2 | 0 | 0 | 111.8 | R135 Q642 K643 Q649 R650 | R135-E646 IonicContact CZ-OE1 3.87Å; R135-E646 IonicContact NH2-OE1 3.69Å; R135-E646 PolarHBondContact NH2-OE1 2.74Å; Q642-E646 WeakPolarHBondContact O-CG 3.44Å; Q642-E646 PolarHBondContact O-N 3.13Å; K643-E646 PolarHBondContact O-N 3.3Å; E646-Q649 PolarHBondContact O-N 2.8Å; E646-R650 PolarHBondContact O-N 3.08Å |
| 647 | R | 97.8 | Very high | 97.5 | Very high | 73 Ų | 73 | 46.2 Ų | 46.2 | 28% | 0.275 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 175.6 | 175.7 | 63.2 | -174 | 84.8 | -1.2 | 111.9 | T617 E619 K643 A644 R650 G651 | T617-R647 HydrophobicContact CG2-CG 4.06Å; E619-R647 HydrophobicContact CB-CB 4.17Å; E619-R647 HydrophobicContact CB-CG 4.4Å; E619-R647 HydrophobicContact CG-CB 4.07Å; E619-R647 HydrophobicContact CG-CG 4.24Å; K643-R647 WeakPolarHBondContact O-CB 3.4Å; K643-R647 PolarHBondContact O-N 2.72Å; A644-R647 PolarHBondContact O-N 3.26Å; R647-R650 PolarHBondContact O-N 3Å; R647-G651 PolarHBondContact O-N 2.87Å |
| 648 | H | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.4 | -52.3 | 175.6 | 170.9 | -85.1 | 0 | 0 | 0 | 110.8 | D575 G576 M580 E598 A644 C645 R650 G651 Y652 | D575-H648 IonicContact OD1-CE1 3.76Å; D575-H648 IonicContact OD2-CE1 3.39Å; D575-H648 PolarHBondContact OD2-CE1 3.06Å; G576-H648 WeakPolarHBondContact CA-ND1 3.46Å; M580-H648 HydrophobicContact CE-CB 4.42Å; E598-H648 IonicContact OE1-CE1 3.39Å; E598-H648 IonicContact OE1-NE2 2.76Å; E598-H648 IonicContact OE2-CD2 3.65Å; E598-H648 IonicContact OE2-CE1 3.98Å; E598-H648 IonicContact OE2-NE2 2.96Å; E598-H648 PolarHBondContact OE2-NE2 3.39Å; A644-H648 WeakPolarHBondContact O-CB 3.27Å; A644-H648 PolarHBondContact O-N 3.4Å; C645-H648 PolarHBondContact O-N 2.88Å; H648-R650 VanDerWaalsContact C-N 3.26Å; H648-R650 PolarHBondContact O-N 3.05Å; H648-G651 CarbonylContact O-C 3.57Å; H648-G651 WeakPolarHBondContact O-CA 3.04Å; H648-G651 PolarHBondContact O-N 3.42Å; H648-Y652 PolarHBondContact O-N 2.82Å |
| 649 | Q | 96.8 | Very high | 97.3 | Very high | 90 Ų | 90 | 45.3 Ų | 45.3 | 42% | 0.421 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -56.9 | -41.3 | 178.8 | -174.3 | 178.6 | 36.7 | 0 | 0 | 111.6 | C645 E646 G651 Y652 L653 | C645-Q649 WeakPolarHBondContact O-CB 3.36Å; C645-Q649 PolarHBondContact O-N 3.3Å; E646-Q649 PolarHBondContact O-N 2.8Å; Q649-G651 VanDerWaalsContact C-N 3.35Å; Q649-G651 PolarHBondContact O-N 2.95Å; Q649-Y652 PolarHBondContact O-N 3.5Å; Q649-L653 WeakPolarHBondContact O-CG 3.33Å; Q649-L653 PolarHBondContact O-N 3.38Å |
| 650 | R | 96.4 | Very high | 97.2 | Very high | 161 Ų | 161 | 40.4 Ų | 40.4 | 61% | 0.608 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -60.9 | -43.6 | 174 | -177.8 | 173.6 | 180 | 164.9 | -0.3 | 112 | E646 R647 H648 Y652 L653 D654 | E646-R650 PolarHBondContact O-N 3.08Å; R647-R650 PolarHBondContact O-N 3Å; H648-R650 VanDerWaalsContact C-N 3.26Å; H648-R650 PolarHBondContact O-N 3.05Å; R650-Y652 VanDerWaalsContact C-N 3.34Å; R650-L653 PolarHBondContact O-N 3.22Å; R650-D654 WeakPolarHBondContact O-CB 3.46Å; R650-D654 PolarHBondContact O-N 2.93Å |
| 651 | G | 97.5 | Very high | 97.1 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R647 H648 Q649 D654 A655 | R647-G651 PolarHBondContact O-N 2.87Å; H648-G651 CarbonylContact O-C 3.57Å; H648-G651 WeakPolarHBondContact O-CA 3.04Å; H648-G651 PolarHBondContact O-N 3.42Å; Q649-G651 VanDerWaalsContact C-N 3.35Å; Q649-G651 PolarHBondContact O-N 2.95Å; G651-D654 PolarHBondContact O-N 2.77Å; G651-A655 PolarHBondContact O-N 2.86Å |
| 652 | Y | 97.4 | Very high | 97.1 | Very high | 43 Ų | 43 | 40.5 Ų | 40.5 | 17% | 0.169 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 175.8 | -165.6 | -84.6 | 0 | 0 | 0 | 112.5 | E598 C600 V613 H648 Q649 R650 D654 A655 M656 | E598-Y652 VanDerWaalsContact OE1-CD2 3.27Å; E598-Y652 WeakPolarHBondContact OE1-CD2 3.38Å; E598-Y652 WeakPolarHBondContact OE1-CE2 3.27Å; C600-Y652 HydrophobicContact CB-CE2 4.22Å; V613-Y652 HydrophobicContact CG2-CD2 3.81Å; V613-Y652 HydrophobicContact CG2-CG 4.25Å; H648-Y652 PolarHBondContact O-N 2.82Å; Q649-Y652 PolarHBondContact O-N 3.5Å; R650-Y652 VanDerWaalsContact C-N 3.34Å; Y652-D654 VanDerWaalsContact C-N 3.33Å; Y652-D654 PolarHBondContact O-N 3.15Å; Y652-A655 PolarHBondContact O-N 3.4Å; Y652-M656 HydrophobicContact CD1-CE 4.2Å; Y652-M656 HydrophobicContact CE1-CE 3.45Å; Y652-M656 VanDerWaalsContact CE1-CE 3.45Å; Y652-M656 WeakPolarHBondContact O-CB 3.34Å; Y652-M656 PolarHBondContact O-N 2.84Å |
| 653 | L | 96.2 | Very high | 97 | Very high | 28 Ų | 28 | 37.4 Ų | 37.4 | 15% | 0.147 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 176.3 | -66.5 | 177.9 | 0 | 0 | 0 | 112.2 | L132 Y133 Q649 R650 C657 | L132-L653 HydrophobicContact CB-CD2 4.31Å; L132-L653 WeakPolarHBondContact O-CD1 3.41Å; Y133-L653 HydrophobicContact CD1-CB 4.3Å; Y133-L653 HydrophobicContact CD1-CD1 4.1Å; Y133-L653 HydrophobicContact CE1-CB 3.88Å; Q649-L653 WeakPolarHBondContact O-CG 3.33Å; Q649-L653 PolarHBondContact O-N 3.38Å; R650-L653 PolarHBondContact O-N 3.22Å; L653-C657 VanDerWaalsContact O-CB 3.29Å; L653-C657 WeakPolarHBondContact O-CB 3.36Å; L653-C657 PolarHBondContact O-N 2.65Å; L653-C657 PolarHBondContact O-SG 3.38Å |
| 654 | D | 97.3 | Very high | 97 | Very high | 27 Ų | 27 | 32.7 Ų | 32.7 | 14% | 0.144 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.2 | -47.5 | 175.6 | -79.6 | -21.3 | 0 | 0 | 0 | 111.4 | Y133 R650 G651 Y652 C657 S658 K659 | Y133-D654 WeakPolarHBondContact CE1-OD1 3.38Å; Y133-D654 PolarHBondContact OH-OD1 2.94Å; R650-D654 WeakPolarHBondContact O-CB 3.46Å; R650-D654 PolarHBondContact O-N 2.93Å; G651-D654 PolarHBondContact O-N 2.77Å; Y652-D654 VanDerWaalsContact C-N 3.33Å; Y652-D654 PolarHBondContact O-N 3.15Å; D654-C657 CarbonylContact O-C 3.59Å; D654-C657 PolarHBondContact O-N 3.19Å; D654-C657 VanDerWaalsContact O-N 3.16Å; D654-S658 PolarHBondContact O-N 3.39Å; D654-K659 HydrophobicContact CB-CB 3.99Å; D654-K659 HydrophobicContact CB-CD 4.26Å; D654-K659 WeakPolarHBondContact O-CA 3.4Å; D654-K659 VanDerWaalsContact O-CB 3.27Å; D654-K659 WeakPolarHBondContact O-CB 3.44Å; D654-K659 PolarHBondContact O-N 3.3Å; D654-K659 WeakPolarHBondContact OD1-CD 3.18Å; D654-K659 IonicContact OD1-NZ 3.49Å; D654-K659 PolarHBondContact OD1-NZ 3.48Å |
| 655 | A | 97.4 | Very high | 97 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 2% | 0.017 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -59.4 | -48.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | C600 E611 V613 G651 Y652 C657 S658 | C600-A655 HydrophobicContact CB-CB 4.07Å; E611-A655 HydrophobicContact CG-CB 3.98Å; V613-A655 HydrophobicContact CG2-CB 3.54Å; G651-A655 PolarHBondContact O-N 2.86Å; Y652-A655 PolarHBondContact O-N 3.4Å; A655-C657 PolarHBondContact O-N 3.24Å; A655-C657 VanDerWaalsContact O-N 3.13Å; A655-S658 PolarHBondContact O-N 3.03Å |
| 656 | M | 96 | Very high | 96.9 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 6% | 0.059 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -58.1 | -29.4 | 177.1 | -171.9 | -179.2 | -77.4 | 0 | 0 | 112.5 | I292 C600 M601 L604 Y605 Y652 | I292-M656 HydrophobicContact CD1-SD 4.36Å; C600-M656 PolarHBondContact SG-N 3.08Å; M601-M656 HydrophobicContact CE-CE 3.93Å; M601-M656 HydrophobicContact CG-CE 4.33Å; L604-M656 HydrophobicContact CD1-CG 3.62Å; L604-M656 HydrophobicContact CD1-SD 3.81Å; L604-M656 HydrophobicContact CG-CG 4.14Å; L604-M656 HydrophobicContact CG-SD 4.3Å; Y605-M656 WeakPolarHBondContact CE2-O 3.27Å; Y652-M656 HydrophobicContact CD1-CE 4.2Å; Y652-M656 HydrophobicContact CE1-CE 3.45Å; Y652-M656 VanDerWaalsContact CE1-CE 3.45Å; Y652-M656 WeakPolarHBondContact O-CB 3.34Å; Y652-M656 PolarHBondContact O-N 2.84Å |
| 657 | C | 96.2 | Very high | 96.9 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 5% | 0.054 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -96.3 | 23.9 | 179.1 | -64.5 | 0 | 0 | 0 | 0 | 114 | Y605 L653 D654 A655 K659 | Y605-C657 WeakPolarHBondContact OH-CA 3.33Å; Y605-C657 PolarHBondContact OH-O 3.41Å; L653-C657 VanDerWaalsContact O-CB 3.29Å; L653-C657 WeakPolarHBondContact O-CB 3.36Å; L653-C657 PolarHBondContact O-N 2.65Å; L653-C657 PolarHBondContact O-SG 3.38Å; D654-C657 CarbonylContact O-C 3.59Å; D654-C657 PolarHBondContact O-N 3.19Å; D654-C657 VanDerWaalsContact O-N 3.16Å; A655-C657 PolarHBondContact O-N 3.24Å; A655-C657 VanDerWaalsContact O-N 3.13Å; C657-K659 VanDerWaalsContact C-N 3.28Å; C657-K659 PolarHBondContact O-N 2.99Å |
| 658 | S | 94.7 | Very high | 96.9 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 3% | 0.028 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | 64.1 | 28 | 177.8 | -154.3 | 0 | 0 | 0 | 0 | 114.9 | L170 P171 D654 A655 | L170-S658 WeakPolarHBondContact CD1-OG 3.47Å; L170-S658 VanDerWaalsContact CG-OG 3.26Å; L170-S658 WeakPolarHBondContact CG-OG 3.25Å; P171-S658 WeakPolarHBondContact O-CB 3.36Å; P171-S658 PolarHBondContact O-OG 2.98Å; D654-S658 PolarHBondContact O-N 3.39Å; A655-S658 PolarHBondContact O-N 3.03Å |
| 659 | K | 96.4 | Very high | 96.8 | Very high | 83 Ų | 83 | 29.4 Ų | 29.4 | 36% | 0.361 | 14% | 0.135 | S | C | . | . | I | π-helix | trans | -108.2 | 16.5 | 171.5 | -52.8 | 169.7 | -177.7 | 169.4 | 0 | 111.4 | Y133 R181 D654 C657 | Y133-K659 PolarHBondContact OH-NZ 2.96Å; R181-K659 PolarHBondContact NE-O 3.23Å; R181-K659 PolarHBondContact NH2-O 3.34Å; D654-K659 HydrophobicContact CB-CB 3.99Å; D654-K659 HydrophobicContact CB-CD 4.26Å; D654-K659 WeakPolarHBondContact O-CA 3.4Å; D654-K659 VanDerWaalsContact O-CB 3.27Å; D654-K659 WeakPolarHBondContact O-CB 3.44Å; D654-K659 PolarHBondContact O-N 3.3Å; D654-K659 WeakPolarHBondContact OD1-CD 3.18Å; D654-K659 IonicContact OD1-NZ 3.49Å; D654-K659 PolarHBondContact OD1-NZ 3.48Å; C657-K659 VanDerWaalsContact C-N 3.28Å; C657-K659 PolarHBondContact O-N 2.99Å |
| 660 | G | 96 | Very high | 96.7 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 7% | 0.072 | 12% | 0.116 | C | C | . | . | trans | -61.5 | 168.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 661 | V | 96.8 | Very high | 96.6 | Very high | 9 Ų | 9 | 18.2 Ų | 18.2 | 6% | 0.055 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -101.9 | -46 | -178.7 | 173.1 | 0 | 0 | 0 | 0 | 110 | T178 R181 H182 H664 L665 | T178-V661 HydrophobicContact CG2-CG1 4.16Å; R181-V661 HydrophobicContact CB-CG2 3.64Å; H182-V661 HydrophobicContact CB-CG1 3.71Å; V661-H664 PolarHBondContact O-N 3.43Å; V661-L665 HydrophobicContact CG1-CD1 3.55Å; V661-L665 HydrophobicContact CG1-CG 4.04Å; V661-L665 WeakPolarHBondContact O-CG 3.4Å; V661-L665 PolarHBondContact O-N 2.81Å |
| 662 | D | 97 | Very high | 96.6 | Very high | 16 Ų | 16 | 17.6 Ų | 17.6 | 9% | 0.086 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -69.1 | -47.6 | -161.3 | -62.9 | -84.6 | 0 | 0 | 0 | 113.7 | T612 R614 H664 L665 F666 W690 | T612-D662 WeakPolarHBondContact CB-OD2 3.3Å; R614-D662 IonicContact CZ-OD1 2.73Å; R614-D662 IonicContact CZ-OD2 2.8Å; R614-D662 IonicContact NE-OD1 2.76Å; R614-D662 PolarHBondContact NE-OD1 2.78Å; R614-D662 IonicContact NE-OD2 3.88Å; R614-D662 PolarHBondContact NE-OD2 2.83Å; R614-D662 IonicContact NH2-OD1 3.86Å; R614-D662 PolarHBondContact NH2-OD1 3.47Å; R614-D662 IonicContact NH2-OD2 2.67Å; D662-H664 VanDerWaalsContact C-N 3.28Å; D662-H664 PolarHBondContact O-N 3Å; D662-L665 PolarHBondContact O-N 3.18Å; D662-F666 VanDerWaalsContact O-CB 3.25Å; D662-F666 WeakPolarHBondContact O-CB 3.42Å; D662-F666 PolarHBondContact O-N 3.32Å; D662-W690 WeakPolarHBondContact OD1-CH2 3.37Å; D662-W690 WeakPolarHBondContact OD1-CZ2 3.34Å |
| 663 | R | 96.7 | Very high | 96.3 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 3% | 0.034 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.2 | -30.9 | 178.1 | -59.9 | -56.3 | 167.6 | -79.9 | -0.1 | 112.8 | V228 W232 Y597 T610 E611 T612 C667 | V228-R663 HydrophobicContact CG1-CB 3.91Å; V228-R663 HydrophobicContact CG1-CG 4.14Å; V228-R663 HydrophobicContact CG2-CB 4.2Å; W232-R663 VanDerWaalsContact CH2-NE 3.29Å; W232-R663 VanDerWaalsContact CH2-NH2 3.29Å; W232-R663 VanDerWaalsContact CZ3-CD 3.44Å; W232-R663 VanDerWaalsContact CZ3-CZ 3.44Å; Y597-R663 PolarHBondContact OH-NH2 3.32Å; T610-R663 PolarHBondContact O-NE 2.87Å; E611-R663 HydrophobicContact CB-CG 4.38Å; E611-R663 WeakPolarHBondContact OE1-CG 3.45Å; E611-R663 PolarHBondContact OE1-N 2.83Å; E611-R663 VanDerWaalsContact OE1-N 3.15Å; E611-R663 IonicContact OE1-NH1 3.33Å; E611-R663 WeakPolarHBondContact OE2-CB 3.33Å; T612-R663 PolarHBondContact OG1-NH1 3.42Å; T612-R663 PolarHBondContact OG1-NH2 3.49Å; R663-C667 PolarHBondContact O-N 2.88Å; R663-C667 PolarHBondContact O-SG 2.84Å |
| 664 | H | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67 | -51 | 175.4 | -174.9 | -153.1 | 0 | 0 | 0 | 111.5 | P173 T178 Q214 V661 D662 F666 C667 L668 | P173-H664 HydrophobicContact CG-CB 3.92Å; P173-H664 PolarHBondContact O-CE1 2.95Å; T178-H664 WeakPolarHBondContact CB-ND1 3.46Å; T178-H664 HydrophobicContact CG2-CB 4.19Å; T178-H664 WeakPolarHBondContact CG2-ND1 3.47Å; T178-H664 PolarHBondContact OG1-ND1 3.36Å; Q214-H664 PolarHBondContact OE1-CE1 2.69Å; Q214-H664 VanDerWaalsContact OE1-CE1 3.24Å; Q214-H664 PolarHBondContact OE1-NE2 2.79Å; V661-H664 PolarHBondContact O-N 3.43Å; D662-H664 VanDerWaalsContact C-N 3.28Å; D662-H664 PolarHBondContact O-N 3Å; H664-F666 VanDerWaalsContact C-N 3.31Å; H664-F666 PolarHBondContact O-N 3.47Å; H664-C667 PolarHBondContact O-N 3.02Å; H664-L668 WeakPolarHBondContact O-CG 3.47Å; H664-L668 PolarHBondContact O-N 3.01Å |
| 665 | L | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.8 | -38.4 | 177.9 | -65.3 | -173.7 | 0 | 0 | 0 | 112.1 | T178 L179 V661 D662 C667 L668 Y669 F681 L682 V685 | T178-L665 HydrophobicContact CG2-CD2 3.81Å; T178-L665 HydrophobicContact CG2-CG 3.97Å; L179-L665 HydrophobicContact CD2-CD2 4.38Å; V661-L665 HydrophobicContact CG1-CD1 3.55Å; V661-L665 HydrophobicContact CG1-CG 4.04Å; V661-L665 WeakPolarHBondContact O-CG 3.4Å; V661-L665 PolarHBondContact O-N 2.81Å; D662-L665 PolarHBondContact O-N 3.18Å; L665-C667 PolarHBondContact O-N 3.49Å; L665-L668 HydrophobicContact CD2-CD1 4.12Å; L665-L668 PolarHBondContact O-N 2.99Å; L665-Y669 PolarHBondContact O-N 3.28Å; L665-F681 HydrophobicContact CD1-CE1 4.48Å; L665-F681 HydrophobicContact CD1-CZ 4.26Å; L665-F681 HydrophobicContact CD2-CE1 4.03Å; L665-F681 HydrophobicContact CD2-CZ 4.41Å; L665-L682 HydrophobicContact CD2-CD2 4.47Å; L665-V685 HydrophobicContact CD1-CG1 3.7Å |
| 666 | F | 96.4 | Very high | 95.9 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 9% | 0.092 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.7 | -50.2 | 171.2 | 163.7 | -104.2 | 0 | 0 | 0 | 112 | W231 W232 Y235 V236 D662 H664 L668 Y669 V670 | W231-F666 HydrophobicContact CB-CE1 3.99Å; W231-F666 HydrophobicContact CB-CZ 4.23Å; W231-F666 WeakPolarHBondContact O-CZ 3.35Å; W232-F666 HydrophobicContact CE3-CD1 4.25Å; W232-F666 HydrophobicContact CE3-CE1 4.19Å; Y235-F666 HydrophobicContact CD2-CZ 4.08Å; Y235-F666 HydrophobicContact CG-CZ 4.42Å; V236-F666 HydrophobicContact CG2-CE2 4.14Å; V236-F666 HydrophobicContact CG2-CZ 4.26Å; D662-F666 VanDerWaalsContact O-CB 3.25Å; D662-F666 WeakPolarHBondContact O-CB 3.42Å; D662-F666 PolarHBondContact O-N 3.32Å; H664-F666 VanDerWaalsContact C-N 3.31Å; H664-F666 PolarHBondContact O-N 3.47Å; F666-L668 VanDerWaalsContact C-N 3.32Å; F666-L668 PolarHBondContact O-N 3.14Å; F666-Y669 WeakPolarHBondContact O-CB 3.41Å; F666-Y669 PolarHBondContact O-N 2.92Å; F666-Y669 VanDerWaalsContact O-N 3.17Å; F666-V670 HydrophobicContact CD2-CG2 4.25Å; F666-V670 HydrophobicContact CE1-CG2 4.22Å; F666-V670 HydrophobicContact CE2-CG2 3.74Å; F666-V670 HydrophobicContact CZ-CG2 3.72Å; F666-V670 WeakPolarHBondContact O-CG2 3.42Å; F666-V670 PolarHBondContact O-N 3.05Å |
| 667 | C | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.3 | -36.1 | 178.7 | -69.3 | 0 | 0 | 0 | 0 | 112.9 | L217 Y227 W231 R663 H664 L665 Y669 V670 I671 | L217-C667 HydrophobicContact CD1-CB 3.78Å; L217-C667 HydrophobicContact CD2-CB 3.74Å; L217-C667 HydrophobicContact CG-CB 4.46Å; Y227-C667 HydrophobicContact CD2-CB 4.38Å; Y227-C667 HydrophobicContact CE2-CB 4.38Å; W231-C667 HydrophobicContact CE3-CB 4.13Å; W231-C667 HydrophobicContact CZ3-CB 4.13Å; R663-C667 PolarHBondContact O-N 2.88Å; R663-C667 PolarHBondContact O-SG 2.84Å; H664-C667 PolarHBondContact O-N 3.02Å; L665-C667 PolarHBondContact O-N 3.49Å; C667-Y669 VanDerWaalsContact C-N 3.32Å; C667-V670 PolarHBondContact O-N 3.43Å; C667-I671 WeakPolarHBondContact O-CG1 3.35Å; C667-I671 PolarHBondContact O-N 2.7Å; C667-I671 VanDerWaalsContact O-N 3.15Å |
| 668 | L | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 174.2 | -66.5 | 173.2 | 0 | 0 | 0 | 111.4 | L175 F205 L213 L217 H664 L665 F666 I671 S672 L682 | L175-L668 HydrophobicContact CD1-CD1 3.92Å; F205-L668 HydrophobicContact CE1-CD1 4.22Å; F205-L668 HydrophobicContact CZ-CD1 4.25Å; L213-L668 HydrophobicContact CB-CD2 3.71Å; L213-L668 HydrophobicContact CD1-CB 4.5Å; L217-L668 HydrophobicContact CB-CD2 4.46Å; L217-L668 HydrophobicContact CD2-CD2 3.89Å; L217-L668 HydrophobicContact CD2-CG 4.21Å; H664-L668 WeakPolarHBondContact O-CG 3.47Å; H664-L668 PolarHBondContact O-N 3.01Å; L665-L668 HydrophobicContact CD2-CD1 4.12Å; L665-L668 PolarHBondContact O-N 2.99Å; F666-L668 VanDerWaalsContact C-N 3.32Å; F666-L668 PolarHBondContact O-N 3.14Å; L668-I671 PolarHBondContact O-N 3.26Å; L668-S672 PolarHBondContact O-N 2.8Å; L668-L682 HydrophobicContact CB-CD1 4.43Å; L668-L682 HydrophobicContact CB-CD2 4.34Å |
| 669 | Y | 96.6 | Very high | 95.5 | Very high | 80 Ų | 80 | 44.8 Ų | 44.8 | 31% | 0.314 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.9 | -43.2 | 174.3 | 174.7 | -99.2 | 0 | 0 | 0 | 113.3 | L665 F666 C667 I671 S672 R673 L682 L686 | L665-Y669 PolarHBondContact O-N 3.28Å; F666-Y669 WeakPolarHBondContact O-CB 3.41Å; F666-Y669 PolarHBondContact O-N 2.92Å; F666-Y669 VanDerWaalsContact O-N 3.17Å; C667-Y669 VanDerWaalsContact C-N 3.32Å; Y669-I671 VanDerWaalsContact C-N 3.26Å; Y669-I671 PolarHBondContact O-N 3.2Å; Y669-S672 PolarHBondContact O-N 3.43Å; Y669-S672 PolarHBondContact O-OG 2.83Å; Y669-R673 HydrophobicContact CD1-CG 4.15Å; Y669-R673 HydrophobicContact CD2-CG 4.33Å; Y669-R673 HydrophobicContact CE1-CG 3.73Å; Y669-R673 HydrophobicContact CE2-CG 3.96Å; Y669-R673 HydrophobicContact CG-CG 4.44Å; Y669-R673 WeakPolarHBondContact O-CG 3.4Å; Y669-R673 PolarHBondContact O-N 3.44Å; Y669-L682 HydrophobicContact CD2-CB 3.99Å; Y669-L686 HydrophobicContact CD1-CD1 3.52Å; Y669-L686 HydrophobicContact CD2-CD1 3.51Å; Y669-L686 HydrophobicContact CE1-CD1 4.22Å; Y669-L686 HydrophobicContact CE2-CD1 4.18Å; Y669-L686 HydrophobicContact CG-CD1 3.11Å |
| 670 | V | 94 | Very high | 95.5 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.2 | -46.6 | 174.7 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | W231 Y235 F666 C667 S672 R673 Y674 | W231-V670 HydrophobicContact CD2-CB 4.29Å; W231-V670 HydrophobicContact CD2-CG1 3.63Å; W231-V670 HydrophobicContact CE3-CB 3.94Å; W231-V670 HydrophobicContact CE3-CG1 3.74Å; W231-V670 HydrophobicContact CE3-CG2 4.47Å; W231-V670 HydrophobicContact CG-CG1 4.13Å; W231-V670 HydrophobicContact CH2-CG1 4.17Å; W231-V670 HydrophobicContact CZ2-CG1 4.07Å; W231-V670 HydrophobicContact CZ3-CB 4.17Å; W231-V670 HydrophobicContact CZ3-CG1 4.02Å; Y235-V670 HydrophobicContact CD2-CG1 4.2Å; Y235-V670 HydrophobicContact CD2-CG2 3.81Å; Y235-V670 HydrophobicContact CE2-CB 4.48Å; Y235-V670 HydrophobicContact CE2-CG1 3.55Å; Y235-V670 HydrophobicContact CE2-CG2 4.03Å; Y235-V670 HydrophobicContact CG-CG2 4.42Å; F666-V670 HydrophobicContact CD2-CG2 4.25Å; F666-V670 HydrophobicContact CE1-CG2 4.22Å; F666-V670 HydrophobicContact CE2-CG2 3.74Å; F666-V670 HydrophobicContact CZ-CG2 3.72Å; F666-V670 WeakPolarHBondContact O-CG2 3.42Å; F666-V670 PolarHBondContact O-N 3.05Å; C667-V670 PolarHBondContact O-N 3.43Å; V670-S672 PolarHBondContact O-N 3.07Å; V670-R673 PolarHBondContact O-N 3.34Å; V670-Y674 HydrophobicContact CG1-CD2 3.84Å; V670-Y674 HydrophobicContact CG1-CE2 3.75Å; V670-Y674 VanDerWaalsContact O-CD2 3.27Å; V670-Y674 WeakPolarHBondContact O-CD2 3.31Å; V670-Y674 PolarHBondContact O-N 3.05Å; V670-Y674 VanDerWaalsContact O-N 3.08Å |
| 671 | I | 95.7 | Very high | 95.5 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 175.7 | -64.2 | 168.1 | 0 | 0 | 0 | 111.2 | L213 Y216 L217 W231 C667 L668 Y669 R673 Y674 L675 | L213-I671 HydrophobicContact CD2-CB 4.15Å; L213-I671 HydrophobicContact CD2-CG2 3.57Å; Y216-I671 HydrophobicContact CD2-CG2 4.37Å; Y216-I671 HydrophobicContact CG-CG2 4.29Å; L217-I671 HydrophobicContact CB-CD1 3.65Å; L217-I671 HydrophobicContact CD1-CD1 3.89Å; L217-I671 HydrophobicContact CG-CD1 4.27Å; W231-I671 HydrophobicContact CH2-CD1 4.02Å; W231-I671 HydrophobicContact CH2-CG1 3.47Å; W231-I671 VanDerWaalsContact CH2-CG1 3.47Å; W231-I671 HydrophobicContact CZ3-CD1 4.12Å; W231-I671 HydrophobicContact CZ3-CG1 3.77Å; C667-I671 WeakPolarHBondContact O-CG1 3.35Å; C667-I671 PolarHBondContact O-N 2.7Å; C667-I671 VanDerWaalsContact O-N 3.15Å; L668-I671 PolarHBondContact O-N 3.26Å; Y669-I671 VanDerWaalsContact C-N 3.26Å; Y669-I671 PolarHBondContact O-N 3.2Å; I671-R673 VanDerWaalsContact C-N 3.28Å; I671-R673 PolarHBondContact O-N 3.43Å; I671-Y674 PolarHBondContact O-N 2.81Å; I671-L675 HydrophobicContact CG2-CD1 3.74Å; I671-L675 HydrophobicContact CG2-CG 4.16Å; I671-L675 WeakPolarHBondContact O-CG 3.44Å; I671-L675 PolarHBondContact O-N 3.31Å |
| 672 | S | 96.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -38.6 | -179.4 | 86.3 | 0 | 0 | 0 | 0 | 111.5 | L668 Y669 V670 L675 E676 L677 | L668-S672 PolarHBondContact O-N 2.8Å; Y669-S672 PolarHBondContact O-N 3.43Å; Y669-S672 PolarHBondContact O-OG 2.83Å; V670-S672 PolarHBondContact O-N 3.07Å; S672-L675 CarbonylContact O-C 3.57Å; S672-L675 PolarHBondContact O-N 3.01Å; S672-E676 PolarHBondContact O-N 3.24Å; S672-E676 VanDerWaalsContact O-N 3.11Å; S672-L677 PolarHBondContact O-N 2.79Å |
| 673 | R | 92.9 | Very high | 95.3 | Very high | 140 Ų | 140 | 50.4 Ų | 50.4 | 53% | 0.528 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.2 | -40.4 | 174.4 | -63.3 | -57 | -66.9 | 169.9 | -2.2 | 112.5 | Y669 V670 I671 L675 E676 | Y669-R673 HydrophobicContact CD1-CG 4.15Å; Y669-R673 HydrophobicContact CD2-CG 4.33Å; Y669-R673 HydrophobicContact CE1-CG 3.73Å; Y669-R673 HydrophobicContact CE2-CG 3.96Å; Y669-R673 HydrophobicContact CG-CG 4.44Å; Y669-R673 WeakPolarHBondContact O-CG 3.4Å; Y669-R673 PolarHBondContact O-N 3.44Å; V670-R673 PolarHBondContact O-N 3.34Å; I671-R673 VanDerWaalsContact C-N 3.28Å; I671-R673 PolarHBondContact O-N 3.43Å; R673-L675 VanDerWaalsContact C-N 3.3Å; R673-L675 PolarHBondContact O-N 3.49Å; R673-E676 PolarHBondContact O-N 2.69Å |
| 674 | Y | 92 | Very high | 95.1 | Very high | 137 Ų | 137 | 52.4 Ų | 52.4 | 54% | 0.537 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.6 | -33.7 | 174.7 | -89.1 | -66 | 0 | 0 | 0 | 113.8 | Y235 V670 I671 E676 | Y235-Y674 WeakPolarHBondContact OH-CE2 3.42Å; Y235-Y674 VanDerWaalsContact OH-CZ 3.23Å; Y235-Y674 PolarHBondContact OH-OH 2.91Å; V670-Y674 HydrophobicContact CG1-CD2 3.84Å; V670-Y674 HydrophobicContact CG1-CE2 3.75Å; V670-Y674 VanDerWaalsContact O-CD2 3.27Å; V670-Y674 WeakPolarHBondContact O-CD2 3.31Å; V670-Y674 PolarHBondContact O-N 3.05Å; V670-Y674 VanDerWaalsContact O-N 3.08Å; I671-Y674 PolarHBondContact O-N 2.81Å; Y674-E676 VanDerWaalsContact C-N 3.27Å |
| 675 | L | 93.9 | Very high | 94.8 | Very high | 56 Ų | 56 | 52.8 Ų | 52.8 | 29% | 0.293 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 3 | 177.7 | -63.4 | 178.9 | 0 | 0 | 0 | 112.8 | L213 Y216 I671 S672 R673 L677 | L213-L675 HydrophobicContact CD2-CD1 3.95Å; Y216-L675 HydrophobicContact CD2-CD1 3.78Å; Y216-L675 HydrophobicContact CE2-CD1 3.65Å; Y216-L675 HydrophobicContact CE2-CD2 4.41Å; I671-L675 HydrophobicContact CG2-CD1 3.74Å; I671-L675 HydrophobicContact CG2-CG 4.16Å; I671-L675 WeakPolarHBondContact O-CG 3.44Å; I671-L675 PolarHBondContact O-N 3.31Å; S672-L675 CarbonylContact O-C 3.57Å; S672-L675 PolarHBondContact O-N 3.01Å; R673-L675 VanDerWaalsContact C-N 3.3Å; R673-L675 PolarHBondContact O-N 3.49Å; L675-L677 HydrophobicContact CB-CD1 3.81Å; L675-L677 HydrophobicContact CB-CG 3.77Å; L675-L677 HydrophobicContact CD1-CD1 3.93Å; L675-L677 PolarHBondContact O-N 2.8Å; L675-L677 VanDerWaalsContact O-N 3.17Å |
| 676 | E | 94.5 | Very high | 94.4 | Very high | 177 Ų | 177 | 56.2 Ų | 56.2 | 83% | 0.827 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 35.7 | -175.3 | -58.6 | 179.3 | 176.6 | 0 | 0 | 112.4 | S672 R673 Y674 | S672-E676 PolarHBondContact O-N 3.24Å; S672-E676 VanDerWaalsContact O-N 3.11Å; R673-E676 PolarHBondContact O-N 2.69Å; Y674-E676 VanDerWaalsContact C-N 3.27Å |
| 677 | L | 93.8 | Very high | 94 | Very high | 41 Ų | 41 | 59.1 Ų | 59.1 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | trans | -96.3 | 118 | 177.9 | -64.3 | 176 | 0 | 0 | 0 | 109.8 | K212 L213 S672 L675 | K212-L677 HydrophobicContact CD-CD1 4.3Å; L213-L677 HydrophobicContact CD2-CD1 4.22Å; S672-L677 PolarHBondContact O-N 2.79Å; L675-L677 HydrophobicContact CB-CD1 3.81Å; L675-L677 HydrophobicContact CB-CG 3.77Å; L675-L677 HydrophobicContact CD1-CD1 3.93Å; L675-L677 PolarHBondContact O-N 2.8Å; L675-L677 VanDerWaalsContact O-N 3.17Å | ||
| 678 | D | 91.7 | Very high | 93.5 | Very high | 133 Ų | 133 | 61.1 Ų | 61.1 | 71% | 0.711 | 30% | 0.296 | S | S | * | . | trans | -74.5 | 135.2 | 169.8 | -79 | -29.8 | 0 | 0 | 0 | 111 | ||||
| 679 | S | 94.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 63.4 Ų | 63.4 | 8% | 0.077 | 31% | 0.311 | C | S | . | . | trans | -135 | 105.2 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | I209 F681 L682 K683 | I209-S679 VanDerWaalsContact CD1-CB 3.44Å; S679-F681 PolarHBondContact O-N 2.86Å; S679-L682 PolarHBondContact O-N 2.83Å; S679-L682 WeakPolarHBondContact OG-CG 3.39Å; S679-L682 PolarHBondContact OG-N 3.31Å; S679-L682 VanDerWaalsContact OG-N 3.13Å; S679-K683 VanDerWaalsContact O-CB 3.31Å; S679-K683 WeakPolarHBondContact O-CB 3.36Å; S679-K683 PolarHBondContact O-N 3.4Å | ||
| 680 | P | 95.3 | Very high | 93.2 | Very high | 74 Ų | 74 | 62 Ų | 62 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55 | -40.9 | 174.2 | -26.7 | 35.3 | 0 | 0 | 0 | 111.7 | L201 E684 | L201-P680 HydrophobicContact CD2-CB 3.96Å; P680-E684 WeakPolarHBondContact O-CB 3.4Å; P680-E684 PolarHBondContact O-N 2.6Å; P680-E684 VanDerWaalsContact O-N 3.08Å |
| 681 | F | 97.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.2 | -58.5 | 174.5 | 173.9 | -104.4 | 0 | 0 | 0 | 112.9 | L179 H182 M198 L201 S202 F205 L665 S679 K683 E684 V685 | L179-F681 HydrophobicContact CD2-CE1 3.56Å; L179-F681 HydrophobicContact CD2-CE2 4.2Å; L179-F681 HydrophobicContact CD2-CZ 3.35Å; H182-F681 AromaticContact ND1-CE2 3.91Å; M198-F681 HydrophobicContact SD-CD2 3.72Å; M198-F681 HydrophobicContact SD-CE2 3.76Å; L201-F681 HydrophobicContact CB-CB 4.22Å; L201-F681 HydrophobicContact CB-CD2 4.29Å; S202-F681 WeakPolarHBondContact OG-CE2 3.26Å; F205-F681 HydrophobicContact CB-CB 3.9Å; F205-F681 HydrophobicContact CB-CD1 3.9Å; F205-F681 HydrophobicContact CB-CG 3.93Å; F205-F681 AromaticContact CD1-CD1 3.48Å; F205-F681 HydrophobicContact CD1-CD1 3.48Å; F205-F681 VanDerWaalsContact CD1-CD1 3.48Å; F205-F681 AromaticContact CD1-CE1 3.7Å; F205-F681 HydrophobicContact CD1-CE1 3.7Å; F205-F681 HydrophobicContact CD1-CG 4.34Å; F205-F681 HydrophobicContact CD2-CB 4.38Å; F205-F681 AromaticContact CD2-CD1 3.95Å; F205-F681 HydrophobicContact CD2-CD1 3.95Å; F205-F681 AromaticContact CE1-CD1 3.9Å; F205-F681 HydrophobicContact CE1-CD1 3.9Å; F205-F681 AromaticContact CE1-CE1 3.92Å; F205-F681 HydrophobicContact CE1-CE1 3.92Å; F205-F681 HydrophobicContact CE2-CD1 4.34Å; F205-F681 HydrophobicContact CG-CB 4.2Å; F205-F681 AromaticContact CG-CD1 3.5Å; F205-F681 HydrophobicContact CG-CD1 3.5Å; F205-F681 VanDerWaalsContact CG-CD1 3.5Å; F205-F681 HydrophobicContact CG-CE1 4.2Å; F205-F681 HydrophobicContact CG-CG 4.04Å; F205-F681 HydrophobicContact CZ-CD1 4.32Å; L665-F681 HydrophobicContact CD1-CE1 4.48Å; L665-F681 HydrophobicContact CD1-CZ 4.26Å; L665-F681 HydrophobicContact CD2-CE1 4.03Å; L665-F681 HydrophobicContact CD2-CZ 4.41Å; S679-F681 PolarHBondContact O-N 2.86Å; F681-K683 VanDerWaalsContact C-N 3.3Å; F681-K683 PolarHBondContact O-N 3.31Å; F681-E684 PolarHBondContact O-N 3.2Å; F681-V685 HydrophobicContact CD2-CG2 4Å; F681-V685 HydrophobicContact CE1-CG2 4.36Å; F681-V685 HydrophobicContact CE2-CG2 3.55Å; F681-V685 HydrophobicContact CZ-CG2 3.75Å; F681-V685 WeakPolarHBondContact O-CG2 3.3Å; F681-V685 PolarHBondContact O-N 2.67Å |
| 682 | L | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.4 | -33.9 | -176 | -64.7 | 170.5 | 0 | 0 | 0 | 112.2 | F205 L213 L665 L668 Y669 S679 E684 L686 | F205-L682 HydrophobicContact CD2-CG 4.47Å; F205-L682 HydrophobicContact CE1-CD2 4.39Å; F205-L682 HydrophobicContact CE2-CD1 3.61Å; F205-L682 HydrophobicContact CE2-CD2 4.28Å; F205-L682 HydrophobicContact CE2-CG 3.75Å; F205-L682 HydrophobicContact CZ-CD1 3.79Å; F205-L682 HydrophobicContact CZ-CD2 3.89Å; F205-L682 HydrophobicContact CZ-CG 3.88Å; L213-L682 HydrophobicContact CD1-CD1 3.88Å; L665-L682 HydrophobicContact CD2-CD2 4.47Å; L668-L682 HydrophobicContact CB-CD1 4.43Å; L668-L682 HydrophobicContact CB-CD2 4.34Å; Y669-L682 HydrophobicContact CD2-CB 3.99Å; S679-L682 PolarHBondContact O-N 2.83Å; S679-L682 WeakPolarHBondContact OG-CG 3.39Å; S679-L682 PolarHBondContact OG-N 3.31Å; S679-L682 VanDerWaalsContact OG-N 3.13Å; L682-E684 VanDerWaalsContact C-N 3.3Å; L682-E684 PolarHBondContact O-N 2.9Å; L682-L686 WeakPolarHBondContact O-CB 3.41Å; L682-L686 WeakPolarHBondContact O-CG 3.04Å; L682-L686 PolarHBondContact O-N 2.83Å |
| 683 | K | 92.8 | Very high | 93.6 | Very high | 156 Ų | 156 | 64.9 Ų | 64.9 | 68% | 0.678 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.6 | -41.4 | 175.7 | -174.4 | 178.3 | -179.5 | -179.5 | 0 | 111.1 | S679 F681 S687 | S679-K683 VanDerWaalsContact O-CB 3.31Å; S679-K683 WeakPolarHBondContact O-CB 3.36Å; S679-K683 PolarHBondContact O-N 3.4Å; F681-K683 VanDerWaalsContact C-N 3.3Å; F681-K683 PolarHBondContact O-N 3.31Å; K683-S687 WeakPolarHBondContact O-CB 3.42Å; K683-S687 PolarHBondContact O-N 3.05Å; K683-S687 PolarHBondContact O-OG 3.42Å |
| 684 | E | 92.8 | Very high | 93.9 | Very high | 50 Ų | 50 | 58.2 Ų | 58.2 | 23% | 0.234 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.7 | -51.3 | -179.1 | -168.5 | 161.4 | 143.9 | 0 | 0 | 112 | R197 M198 L201 P680 F681 L682 L686 S687 | R197-E684 IonicContact CZ-OE1 3.9Å; R197-E684 IonicContact CZ-OE2 2.7Å; R197-E684 IonicContact NH1-OE1 2.8Å; R197-E684 PolarHBondContact NH1-OE1 3.07Å; R197-E684 IonicContact NH1-OE2 3.78Å; R197-E684 PolarHBondContact NH1-OE2 2.96Å; R197-E684 IonicContact NH2-OE2 3.63Å; R197-E684 PolarHBondContact NH2-OE2 2.94Å; M198-E684 HydrophobicContact CE-CB 4.16Å; M198-E684 HydrophobicContact CE-CG 3.75Å; M198-E684 WeakPolarHBondContact CE-OE1 3.43Å; L201-E684 WeakPolarHBondContact CD1-OE2 3.5Å; P680-E684 WeakPolarHBondContact O-CB 3.4Å; P680-E684 PolarHBondContact O-N 2.6Å; P680-E684 VanDerWaalsContact O-N 3.08Å; F681-E684 PolarHBondContact O-N 3.2Å; L682-E684 VanDerWaalsContact C-N 3.3Å; L682-E684 PolarHBondContact O-N 2.9Å; E684-L686 PolarHBondContact O-N 3.11Å; E684-S687 PolarHBondContact O-N 3.22Å; E684-S687 PolarHBondContact O-OG 3.38Å |
| 685 | V | 92.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.2 | -35 | -177.3 | 174.9 | 0 | 0 | 0 | 0 | 112.8 | H182 M198 L665 F681 S687 | H182-V685 WeakPolarHBondContact CE1-CG2 3.41Å; H182-V685 VanDerWaalsContact NE2-CG1 3.31Å; H182-V685 WeakPolarHBondContact NE2-CG1 3.33Å; H182-V685 WeakPolarHBondContact NE2-CG2 3.29Å; M198-V685 HydrophobicContact SD-CG2 4.24Å; L665-V685 HydrophobicContact CD1-CG1 3.7Å; F681-V685 HydrophobicContact CD2-CG2 4Å; F681-V685 HydrophobicContact CE1-CG2 4.36Å; F681-V685 HydrophobicContact CE2-CG2 3.55Å; F681-V685 HydrophobicContact CZ-CG2 3.75Å; F681-V685 WeakPolarHBondContact O-CG2 3.3Å; F681-V685 PolarHBondContact O-N 2.67Å; V685-S687 VanDerWaalsContact C-N 3.33Å |
| 686 | L | 88.7 | Confident | 94.2 | Very high | 72 Ų | 72 | 53 Ų | 53 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -4.9 | 178.9 | -65.2 | 173.1 | 0 | 0 | 0 | 113.7 | Y669 L682 E684 | Y669-L686 HydrophobicContact CD1-CD1 3.52Å; Y669-L686 HydrophobicContact CD2-CD1 3.51Å; Y669-L686 HydrophobicContact CE1-CD1 4.22Å; Y669-L686 HydrophobicContact CE2-CD1 4.18Å; Y669-L686 HydrophobicContact CG-CD1 3.11Å; L682-L686 WeakPolarHBondContact O-CB 3.41Å; L682-L686 WeakPolarHBondContact O-CG 3.04Å; L682-L686 PolarHBondContact O-N 2.83Å; E684-L686 PolarHBondContact O-N 3.11Å |
| 687 | S | 88.7 | Confident | 94 | Very high | 82 Ų | 82 | 45.1 Ų | 45.1 | 57% | 0.573 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -10.4 | 175.3 | 71.1 | 0 | 0 | 0 | 0 | 113.5 | K683 E684 V685 P689 | K683-S687 WeakPolarHBondContact O-CB 3.42Å; K683-S687 PolarHBondContact O-N 3.05Å; K683-S687 PolarHBondContact O-OG 3.42Å; E684-S687 PolarHBondContact O-N 3.22Å; E684-S687 PolarHBondContact O-OG 3.38Å; V685-S687 VanDerWaalsContact C-N 3.33Å; S687-P689 WeakPolarHBondContact O-CD 3.43Å |
| 688 | E | 86.2 | Confident | 93.9 | Very high | 42 Ų | 42 | 45 Ų | 45 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | trans | -69.3 | 122.5 | -179.7 | -66.2 | -175.9 | 177.5 | 0 | 0 | 111.4 | L595 | L595-E688 HydrophobicContact CD2-CB 3.89Š| ||
| 689 | P | 92.2 | Very high | 93.6 | Very high | 49 Ų | 49 | 40.6 Ų | 40.6 | 32% | 0.318 | 21% | 0.213 | S | C | . | . | trans | -78.1 | 137 | -179.8 | 30.9 | -34.8 | 0 | 0 | 0 | 111.8 | S687 R691 A724 | S687-P689 WeakPolarHBondContact O-CD 3.43Å; P689-R691 VanDerWaalsContact C-N 3.35Å; P689-R691 HydrophobicContact CG-CG 4.44Å; P689-R691 PolarHBondContact O-N 3.21Å; P689-A724 HydrophobicContact CB-CB 4.24Å | ||
| 690 | W | 95.5 | Very high | 93.3 | Very high | 50 Ų | 50 | 43.5 Ų | 43.5 | 19% | 0.189 | 23% | 0.225 | C | C | . | . | trans | -78.9 | 80.4 | 172.8 | -60.5 | 103.2 | 0 | 0 | 0 | 110.7 | L595 T596 Y597 T612 R614 D662 L692 | L595-W690 HydrophobicContact CB-CE3 4.44Å; L595-W690 HydrophobicContact CD1-CE3 4.28Å; L595-W690 HydrophobicContact CD1-CH2 4.14Å; L595-W690 HydrophobicContact CD1-CZ3 3.64Å; L595-W690 HydrophobicContact CD2-CD2 3.89Å; L595-W690 HydrophobicContact CD2-CE3 3.54Å; L595-W690 HydrophobicContact CD2-CH2 3.78Å; L595-W690 HydrophobicContact CD2-CZ2 4.07Å; L595-W690 HydrophobicContact CD2-CZ3 3.52Å; L595-W690 HydrophobicContact CG-CD2 4.26Å; L595-W690 HydrophobicContact CG-CE3 3.42Å; L595-W690 VanDerWaalsContact CG-CE3 3.42Å; L595-W690 HydrophobicContact CG-CH2 4.01Å; L595-W690 HydrophobicContact CG-CZ3 3.3Å; T596-W690 WeakPolarHBondContact O-CZ3 3.38Å; Y597-W690 VanDerWaalsContact CB-CE3 3.47Å; Y597-W690 HydrophobicContact CD2-CD2 4.08Å; Y597-W690 HydrophobicContact CD2-CE3 4.33Å; Y597-W690 HydrophobicContact CD2-CG 4.44Å; Y597-W690 HydrophobicContact CD2-CZ2 4.42Å; Y597-W690 HydrophobicContact CG-CD2 4.42Å; Y597-W690 HydrophobicContact CG-CE3 4.42Å; T612-W690 HydrophobicContact CG2-CH2 3.78Å; T612-W690 HydrophobicContact CG2-CZ2 4.36Å; T612-W690 HydrophobicContact CG2-CZ3 4.1Å; R614-W690 HydrophobicContact CG-CH2 4.24Å; R614-W690 HydrophobicContact CG-CZ3 4.36Å; D662-W690 WeakPolarHBondContact OD1-CH2 3.37Å; D662-W690 WeakPolarHBondContact OD1-CZ2 3.34Å; W690-L692 PolarHBondContact O-N 3.22Å | ||
| 691 | R | 97.6 | Very high | 93.1 | Very high | 72 Ų | 72 | 41.3 Ų | 41.3 | 27% | 0.272 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -67.7 | -19.4 | -176.9 | -72.5 | -177.8 | 173 | 87.6 | 8.6 | 114.4 | Y586 C594 L595 P689 D726 G727 Y728 | Y586-R691 HydrophobicContact CE2-CB 4.5Å; C594-R691 HydrophobicContact CB-CB 3.93Å; L595-R691 PolarHBondContact O-N 3.14Å; P689-R691 VanDerWaalsContact C-N 3.35Å; P689-R691 HydrophobicContact CG-CG 4.44Å; P689-R691 PolarHBondContact O-N 3.21Å; R691-D726 IonicContact CZ-OD2 3.43Å; R691-D726 IonicContact NE-OD1 2.67Å; R691-D726 IonicContact NE-OD2 2.73Å; R691-D726 PolarHBondContact NE-OD2 3.02Å; R691-D726 IonicContact NH2-OD2 3.92Å; R691-D726 PolarHBondContact NH2-OD2 3.19Å; R691-G727 CarbonylContact O-C 3.42Å; R691-G727 WeakPolarHBondContact O-CA 3.47Å; R691-Y728 PolarHBondContact O-N 3.08Å |
| 692 | L | 98.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 108.6 | 166.4 | 179.8 | 60.1 | 0 | 0 | 0 | 107.9 | L582 Y586 T596 Y597 W690 T694 Y728 V730 F758 | L582-L692 HydrophobicContact CB-CD2 4.4Å; Y586-L692 HydrophobicContact CD2-CB 4.08Å; Y586-L692 HydrophobicContact CD2-CD2 4.22Å; Y586-L692 HydrophobicContact CE2-CB 4.29Å; Y586-L692 HydrophobicContact CG-CD2 4.43Å; T596-L692 CarbonylContact C-O 3.45Å; T596-L692 WeakPolarHBondContact CA-O 3.41Å; T596-L692 HydrophobicContact CG2-CB 4.16Å; T596-L692 HydrophobicContact CG2-CD2 3.93Å; T596-L692 HydrophobicContact CG2-CG 3.91Å; T596-L692 WeakPolarHBondContact CG2-O 3.12Å; Y597-L692 PolarHBondContact N-O 3.32Å; W690-L692 PolarHBondContact O-N 3.22Å; L692-T694 HydrophobicContact CD1-CG2 4.12Å; L692-T694 HydrophobicContact CD2-CG2 4.37Å; L692-T694 HydrophobicContact CG-CG2 3.84Å; L692-Y728 WeakPolarHBondContact CA-O 3.3Å; L692-V730 HydrophobicContact CD1-CG2 3.81Å; L692-F758 HydrophobicContact CD1-CZ 4.23Å |
| 693 | S | 98.3 | Very high | 92.4 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.6 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | F720 Y728 G729 V730 | S693-F720 WeakPolarHBondContact O-CZ 3.44Å; S693-Y728 PolarHBondContact N-O 3.09Å; S693-G729 CarbonylContact O-C 3.35Å; S693-G729 WeakPolarHBondContact O-CA 3.12Å; S693-V730 PolarHBondContact O-N 3.47Å |
| 694 | T | 98.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 149.2 | -172.8 | 72.8 | 0 | 0 | 0 | 0 | 112.3 | Q579 L582 T596 Y597 E598 A599 L692 V730 | Q579-T694 PolarHBondContact NE2-OG1 3.02Å; L582-T694 HydrophobicContact CD1-CG2 3.81Å; T596-T694 HydrophobicContact CG2-CG2 4.03Å; Y597-T694 WeakPolarHBondContact O-CA 3.42Å; Y597-T694 WeakPolarHBondContact O-CB 3.33Å; Y597-T694 PolarHBondContact O-N 3.43Å; Y597-T694 PolarHBondContact O-OG1 2.76Å; E598-T694 WeakPolarHBondContact CA-O 3.39Å; E598-T694 WeakPolarHBondContact CA-OG1 3.43Å; E598-T694 WeakPolarHBondContact CB-OG1 3.41Å; A599-T694 PolarHBondContact N-O 3.49Å; A599-T694 VanDerWaalsContact N-O 3.15Å; L692-T694 HydrophobicContact CD1-CG2 4.12Å; L692-T694 HydrophobicContact CD2-CG2 4.37Å; L692-T694 HydrophobicContact CG-CG2 3.84Å; T694-V730 CarbonylContact C-O 3.5Å; T694-V730 WeakPolarHBondContact CA-O 3.22Å; T694-V730 HydrophobicContact CG2-CB 4.41Å |
| 695 | S | 97 | Very high | 91.8 | Very high | 21 Ų | 21 | 39.9 Ų | 39.9 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 148.4 | 171 | 75.5 | 0 | 0 | 0 | 0 | 111.9 | F720 V730 S731 Y732 | S695-F720 VanDerWaalsContact OG-CE1 3.29Å; S695-F720 WeakPolarHBondContact OG-CE1 3.45Å; S695-V730 PolarHBondContact N-O 3.44Å; S695-S731 CarbonylContact O-C 3.56Å; S695-S731 VanDerWaalsContact O-CA 3.31Å; S695-S731 WeakPolarHBondContact O-CA 3.45Å; S695-Y732 WeakPolarHBondContact O-CD1 3.39Å; S695-Y732 PolarHBondContact O-N 3.18Å |
| 696 | Q | 95.2 | Very high | 91.5 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 29% | 0.285 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 123.6 | 170.5 | -172.1 | -178.4 | 10.4 | 0 | 0 | 109.6 | P698 Y732 | Q696-P698 WeakPolarHBondContact O-CD 3.34Å; Q696-Y732 WeakPolarHBondContact CA-O 3.34Å; Q696-Y732 HydrophobicContact CB-CD2 4.38Å; Q696-Y732 HydrophobicContact CB-CE2 3.68Å; Q696-Y732 HydrophobicContact CG-CD2 4.08Å; Q696-Y732 HydrophobicContact CG-CE2 3.59Å |
| 697 | T | 91.5 | Very high | 91.1 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 8% | 0.08 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.3 | 169.2 | -61.1 | 0 | 0 | 0 | 0 | 109.3 | Y732 I733 | T697-Y732 PolarHBondContact N-O 3.01Å; T697-I733 HydrophobicContact CG2-CD1 4.44Å |
| 698 | P | 90.6 | Very high | 90.7 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 25% | 0.247 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -70 | 152.1 | 177.9 | 27.1 | -31.7 | 0 | 0 | 0 | 111.4 | P473 Q696 Q701 | P473-P698 HydrophobicContact CB-CG 3.74Å; P473-P698 HydrophobicContact CG-CG 3.93Å; Q696-P698 WeakPolarHBondContact O-CD 3.34Å; P698-Q701 HydrophobicContact CB-CG 4.32Å; P698-Q701 HydrophobicContact CG-CG 4.43Å |
| 699 | Q | 86.9 | Confident | 90.6 | Very high | 40 Ų | 40 | 44.6 Ų | 44.6 | 19% | 0.187 | 23% | 0.228 | C | C | . | . | trans | -122 | 169.8 | 175.1 | -78.8 | -67 | -53.6 | 0 | 0 | 110.3 | Q701 I733 | Q699-Q701 VanDerWaalsContact C-N 3.25Å; Q699-Q701 PolarHBondContact O-N 2.86Å; Q699-I733 HydrophobicContact CG-CD1 3.24Å; Q699-I733 HydrophobicContact CG-CG1 3.36Å | ||
| 700 | Q | 88.3 | Confident | 90.2 | Very high | 73 Ų | 73 | 47.3 Ų | 47.3 | 34% | 0.341 | 23% | 0.233 | S | C | . | . | trans | 60.1 | 36.3 | -179.7 | -165.1 | 63.8 | 65 | 0 | 0 | 111.7 | E480 T702 V705 T707 | E480-Q700 WeakPolarHBondContact OE1-CA 3.5Å; E480-Q700 PolarHBondContact OE1-N 2.78Å; Q700-T702 VanDerWaalsContact C-N 3.29Å; Q700-T702 PolarHBondContact NE2-O 2.95Å; Q700-V705 PolarHBondContact NE2-O 2.88Å; Q700-T707 PolarHBondContact OE1-OG1 3.29Å | ||
| 701 | Q | 91.6 | Very high | 89.7 | Confident | 28 Ų | 28 | 48.8 Ų | 48.8 | 13% | 0.131 | 25% | 0.249 | C | C | . | . | trans | -79.6 | -18.6 | 176.4 | -60.7 | -172.6 | 89.7 | 0 | 0 | 111.9 | I290 P473 S476 H477 E480 P698 Q699 | I290-Q701 HydrophobicContact CD1-CB 4.31Å; P473-Q701 PolarHBondContact O-NE2 3.48Å; P473-Q701 VanDerWaalsContact O-NE2 3.11Å; P473-Q701 PolarHBondContact O-OE1 2.92Å; S476-Q701 PolarHBondContact OG-NE2 3.22Å; H477-Q701 HydrophobicContact CB-CB 3.94Å; H477-Q701 HydrophobicContact CB-CG 4.49Å; H477-Q701 PolarHBondContact NE2-O 3.41Å; E480-Q701 PolarHBondContact OE1-N 3.16Å; E480-Q701 VanDerWaalsContact OE1-N 3.1Å; E480-Q701 VanDerWaalsContact OE2-CB 3.28Å; E480-Q701 WeakPolarHBondContact OE2-CB 3.37Å; E480-Q701 PolarHBondContact OE2-N 2.84Å; P698-Q701 HydrophobicContact CB-CG 4.32Å; P698-Q701 HydrophobicContact CG-CG 4.43Å; Q699-Q701 VanDerWaalsContact C-N 3.25Å; Q699-Q701 PolarHBondContact O-N 2.86Å | ||
| 702 | T | 89.3 | Confident | 89.1 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | trans | -95.4 | 157.1 | 173.2 | -171.7 | 0 | 0 | 0 | 0 | 112.6 | E480 I484 Q700 L704 | E480-T702 HydrophobicContact CG-CG2 3.91Å; I484-T702 HydrophobicContact CD1-CG2 3.51Å; Q700-T702 VanDerWaalsContact C-N 3.29Å; Q700-T702 PolarHBondContact NE2-O 2.95Å; T702-L704 HydrophobicContact CG2-CB 4.26Å; T702-L704 VanDerWaalsContact OG1-CG 3.28Å; T702-L704 WeakPolarHBondContact OG1-CG 3.32Å; T702-L704 PolarHBondContact OG1-N 3.22Å | ||
| 703 | T | 87.2 | Confident | 88.6 | Confident | 113 Ų | 113 | 48.9 Ų | 48.9 | 69% | 0.693 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -100.9 | 6 | 173.7 | 54.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 704 | L | 88.1 | Confident | 88.1 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -72.2 | -26.9 | -175.3 | -68.9 | 175.5 | 0 | 0 | 0 | 113.7 | F481 I484 Y485 T702 | F481-L704 HydrophobicContact CD2-CD1 3.74Å; F481-L704 HydrophobicContact CD2-CG 4.49Å; F481-L704 HydrophobicContact CE2-CD1 3.75Å; F481-L704 HydrophobicContact CE2-CG 4.39Å; F481-L704 HydrophobicContact CG-CD1 4.31Å; F481-L704 HydrophobicContact CZ-CD1 4.31Å; I484-L704 HydrophobicContact CG2-CB 3.54Å; I484-L704 HydrophobicContact CG2-CD1 4.13Å; Y485-L704 HydrophobicContact CD2-CD1 4.12Å; T702-L704 HydrophobicContact CG2-CB 4.26Å; T702-L704 VanDerWaalsContact OG1-CG 3.28Å; T702-L704 WeakPolarHBondContact OG1-CG 3.32Å; T702-L704 PolarHBondContact OG1-N 3.22Å |
| 705 | V | 85.7 | Confident | 87.7 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | trans | -149.9 | 153.3 | -178.7 | 75.4 | 0 | 0 | 0 | 0 | 110.8 | I484 I488 Q700 T707 Y710 F713 | I484-V705 HydrophobicContact CD1-CG1 3.6Å; I484-V705 HydrophobicContact CG1-CG1 4.06Å; I484-V705 HydrophobicContact CG2-CB 3.97Å; I484-V705 HydrophobicContact CG2-CG1 3.77Å; I488-V705 HydrophobicContact CD1-CB 3.54Å; I488-V705 HydrophobicContact CD1-CG1 4.47Å; I488-V705 HydrophobicContact CD1-CG2 3.62Å; Q700-V705 PolarHBondContact NE2-O 2.88Å; V705-T707 HydrophobicContact CG1-CG2 4.09Å; V705-Y710 HydrophobicContact CG2-CD2 3.33Å; V705-Y710 HydrophobicContact CG2-CE2 4.07Å; V705-Y710 HydrophobicContact CG2-CG 3.93Å; V705-F713 HydrophobicContact CG2-CD2 4.02Å; V705-F713 HydrophobicContact CG2-CE2 4.36Å | ||
| 706 | D | 85 | Confident | 87.5 | Confident | 59 Ų | 59 | 48.7 Ų | 48.7 | 32% | 0.316 | 25% | 0.251 | S | S | . | . | trans | -91.1 | 105.4 | 164.8 | -179 | -4.5 | 0 | 0 | 0 | 108.6 | N708 K709 Y710 | D706-N708 PolarHBondContact O-N 3.23Å; D706-N708 WeakPolarHBondContact OD1-CB 3.42Å; D706-N708 PolarHBondContact OD1-N 3.31Å; D706-N708 PolarHBondContact OD1-ND2 2.7Å; D706-K709 HydrophobicContact CB-CB 4.3Å; D706-K709 HydrophobicContact CB-CD 4.15Å; D706-K709 HydrophobicContact CB-CG 4.22Å; D706-K709 PolarHBondContact O-N 3.06Å; D706-K709 WeakPolarHBondContact OD2-CE 3.41Å; D706-Y710 PolarHBondContact O-N 2.81Å; D706-Y710 VanDerWaalsContact O-N 3.12Å | ||
| 707 | T | 81.1 | Confident | 87.4 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.043 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.3 | -177.9 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | Q700 V705 K709 Y710 P711 V714 | Q700-T707 PolarHBondContact OE1-OG1 3.29Å; V705-T707 HydrophobicContact CG1-CG2 4.09Å; T707-K709 VanDerWaalsContact C-N 3.35Å; T707-Y710 CarbonylContact O-C 3.51Å; T707-P711 WeakPolarHBondContact O-CA 3.42Å; T707-V714 HydrophobicContact CG2-CG2 3.87Å |
| 708 | N | 81.2 | Confident | 87.6 | Confident | 87 Ų | 87 | 45.5 Ų | 45.5 | 47% | 0.465 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -27.5 | 173 | -50.3 | -69.8 | 0 | 0 | 0 | 111.7 | D706 | D706-N708 PolarHBondContact O-N 3.23Å; D706-N708 WeakPolarHBondContact OD1-CB 3.42Å; D706-N708 PolarHBondContact OD1-N 3.31Å; D706-N708 PolarHBondContact OD1-ND2 2.7Å |
| 709 | K | 82.7 | Confident | 87.8 | Confident | 150 Ų | 150 | 43.7 Ų | 43.7 | 65% | 0.652 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -28.4 | 175.4 | -68.3 | -179.3 | -174.8 | 177.2 | 0 | 112.7 | D706 T707 P711 | D706-K709 HydrophobicContact CB-CB 4.3Å; D706-K709 HydrophobicContact CB-CD 4.15Å; D706-K709 HydrophobicContact CB-CG 4.22Å; D706-K709 PolarHBondContact O-N 3.06Å; D706-K709 WeakPolarHBondContact OD2-CE 3.41Å; T707-K709 VanDerWaalsContact C-N 3.35Å; K709-P711 VanDerWaalsContact C-CD 3.44Å |
| 710 | Y | 85.1 | Confident | 88.4 | Confident | 106 Ų | 106 | 43.5 Ų | 43.5 | 42% | 0.416 | 22% | 0.223 | S | C | . | . | trans | -127.9 | 65.7 | -178.3 | -56.3 | -81.4 | 0 | 0 | 0 | 110.5 | V705 D706 T707 E712 F713 | V705-Y710 HydrophobicContact CG2-CD2 3.33Å; V705-Y710 HydrophobicContact CG2-CE2 4.07Å; V705-Y710 HydrophobicContact CG2-CG 3.93Å; D706-Y710 PolarHBondContact O-N 2.81Å; D706-Y710 VanDerWaalsContact O-N 3.12Å; T707-Y710 CarbonylContact O-C 3.51Å; Y710-E712 WeakPolarHBondContact CA-OE2 3.36Å; Y710-E712 WeakPolarHBondContact CD1-OE1 3.5Å; Y710-E712 PolarHBondContact O-N 3.4Å; Y710-F713 AromaticContact CD1-CE2 3.97Å; Y710-F713 HydrophobicContact CD1-CE2 3.97Å; Y710-F713 HydrophobicContact CD1-CZ 4.43Å; Y710-F713 HydrophobicContact CG-CD2 4.18Å; Y710-F713 AromaticContact CG-CE2 3.86Å; Y710-F713 HydrophobicContact CG-CE2 3.86Å; Y710-F713 PolarHBondContact O-N 3.3Å | ||
| 711 | P | 84.6 | Confident | 88.8 | Confident | 82 Ų | 82 | 40.2 Ų | 40.2 | 53% | 0.532 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -61.5 | -22.8 | -178.9 | 26.9 | -35.7 | 0 | 0 | 0 | 113 | T707 K709 F713 V714 | T707-P711 WeakPolarHBondContact O-CA 3.42Å; K709-P711 VanDerWaalsContact C-CD 3.44Å; P711-F713 PolarHBondContact O-N 2.96Å; P711-V714 WeakPolarHBondContact O-CB 3.31Å; P711-V714 WeakPolarHBondContact O-CG2 3.25Å; P711-V714 PolarHBondContact O-N 3.32Å; P711-V714 VanDerWaalsContact O-N 3.09Å |
| 712 | E | 84.8 | Confident | 89 | Confident | 67 Ų | 67 | 39.1 Ų | 39.1 | 31% | 0.313 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -63 | -24.2 | 176.6 | 70 | -83.5 | -164.4 | 0 | 0 | 113.4 | Y258 Y710 V714 | Y258-E712 VanDerWaalsContact CB-O 3.3Å; Y258-E712 WeakPolarHBondContact CB-O 3.48Å; Y258-E712 HydrophobicContact CD2-CG 4.24Å; Y710-E712 WeakPolarHBondContact CA-OE2 3.36Å; Y710-E712 WeakPolarHBondContact CD1-OE1 3.5Å; Y710-E712 PolarHBondContact O-N 3.4Å; E712-V714 VanDerWaalsContact C-N 3.31Å |
| 713 | F | 87.6 | Confident | 89.2 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -85.6 | -2.3 | 176.6 | -58.5 | -26.2 | 0 | 0 | 0 | 113.5 | Y258 F487 I488 V705 Y710 P711 S715 | Y258-F713 HydrophobicContact CD1-CD1 4.02Å; Y258-F713 HydrophobicContact CD1-CE1 4.02Å; Y258-F713 AromaticContact CD2-CD1 3.97Å; Y258-F713 HydrophobicContact CD2-CD1 3.97Å; Y258-F713 AromaticContact CD2-CE1 3.49Å; Y258-F713 HydrophobicContact CD2-CE1 3.49Å; Y258-F713 VanDerWaalsContact CD2-CE1 3.49Å; Y258-F713 HydrophobicContact CE1-CE1 4.2Å; Y258-F713 AromaticContact CE2-CE1 3.72Å; Y258-F713 HydrophobicContact CE2-CE1 3.72Å; Y258-F713 AromaticContact CG-CD1 3.7Å; Y258-F713 HydrophobicContact CG-CD1 3.7Å; Y258-F713 AromaticContact CG-CE1 3.68Å; Y258-F713 HydrophobicContact CG-CE1 3.68Å; F487-F713 HydrophobicContact CB-CD1 4.39Å; F487-F713 HydrophobicContact CB-CE1 4.42Å; F487-F713 HydrophobicContact CD2-CB 3.97Å; F487-F713 AromaticContact CD2-CD1 3.67Å; F487-F713 HydrophobicContact CD2-CD1 3.67Å; F487-F713 HydrophobicContact CD2-CE1 4.45Å; F487-F713 AromaticContact CD2-CG 3.85Å; F487-F713 HydrophobicContact CD2-CG 3.85Å; F487-F713 HydrophobicContact CE2-CB 4.25Å; F487-F713 HydrophobicContact CE2-CD1 4.25Å; F487-F713 HydrophobicContact CE2-CG 4.49Å; F487-F713 HydrophobicContact CG-CD1 4.23Å; I488-F713 HydrophobicContact CD1-CD2 4.23Å; I488-F713 HydrophobicContact CD1-CE2 4.07Å; I488-F713 HydrophobicContact CG1-CE2 4.21Å; V705-F713 HydrophobicContact CG2-CD2 4.02Å; V705-F713 HydrophobicContact CG2-CE2 4.36Å; Y710-F713 AromaticContact CD1-CE2 3.97Å; Y710-F713 HydrophobicContact CD1-CE2 3.97Å; Y710-F713 HydrophobicContact CD1-CZ 4.43Å; Y710-F713 HydrophobicContact CG-CD2 4.18Å; Y710-F713 AromaticContact CG-CE2 3.86Å; Y710-F713 HydrophobicContact CG-CE2 3.86Å; Y710-F713 PolarHBondContact O-N 3.3Å; P711-F713 PolarHBondContact O-N 2.96Å; F713-S715 PolarHBondContact O-N 3.3Å |
| 714 | V | 87.8 | Confident | 89.6 | Confident | 14 Ų | 14 | 38.1 Ų | 38.1 | 9% | 0.085 | 20% | 0.199 | C | C | . | . | trans | -78.5 | 125.9 | -178.7 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | T707 P711 E712 A735 | T707-V714 HydrophobicContact CG2-CG2 3.87Å; P711-V714 WeakPolarHBondContact O-CB 3.31Å; P711-V714 WeakPolarHBondContact O-CG2 3.25Å; P711-V714 PolarHBondContact O-N 3.32Å; P711-V714 VanDerWaalsContact O-N 3.09Å; E712-V714 VanDerWaalsContact C-N 3.31Å; V714-A735 HydrophobicContact CB-CB 4.41Å; V714-A735 HydrophobicContact CG1-CB 3.48Å; V714-A735 VanDerWaalsContact CG1-CB 3.48Å | ||
| 715 | S | 91.3 | Very high | 89.9 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 5% | 0.049 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 144.4 | 170.4 | 162.6 | 0 | 0 | 0 | 0 | 110.7 | V253 F713 G717 | V253-S715 PolarHBondContact O-OG 3.48Å; F713-S715 PolarHBondContact O-N 3.3Å; S715-G717 PolarHBondContact O-N 2.78Å; S715-G717 VanDerWaalsContact O-N 3.15Å; S715-G717 PolarHBondContact OG-N 2.77Å |
| 716 | A | 91 | Very high | 90.4 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 0.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V253 L256 I733 S741 H743 | V253-A716 HydrophobicContact CG2-CB 3.81Å; L256-A716 HydrophobicContact CD1-CB 3.48Å; L256-A716 VanDerWaalsContact CD1-CB 3.48Å; L256-A716 HydrophobicContact CD2-CB 4.25Å; L256-A716 HydrophobicContact CG-CB 3.71Å; A716-I733 WeakPolarHBondContact O-CG2 3.39Å; A716-S741 VanDerWaalsContact O-CB 3.24Å; A716-S741 WeakPolarHBondContact O-CB 3.18Å; A716-H743 PolarHBondContact O-NE2 3.29Å |
| 717 | G | 93.7 | Very high | 91 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.5 | -139 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | G252 V253 S715 | G252-G717 CarbonylContact C-O 3.54Å; G252-G717 VanDerWaalsContact CA-O 3.28Å; G252-G717 WeakPolarHBondContact CA-O 3.42Å; V253-G717 WeakPolarHBondContact CG2-O 3.43Å; V253-G717 PolarHBondContact N-O 3.35Å; S715-G717 PolarHBondContact O-N 2.78Å; S715-G717 VanDerWaalsContact O-N 3.15Å; S715-G717 PolarHBondContact OG-N 2.77Å |
| 718 | G | 95.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | 168.8 | -168 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y251 S731 H743 | Y251-G718 CarbonylContact O-C 3.57Å; Y251-G718 WeakPolarHBondContact O-CA 3.48Å; G718-S731 WeakPolarHBondContact O-CB 3.39Å; G718-S731 PolarHBondContact O-OG 3.16Å; G718-H743 PolarHBondContact N-NE2 3.34Å |
| 719 | G | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -169.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y250 Y251 | Y250-G719 CarbonylContact C-O 3.54Å; Y250-G719 VanDerWaalsContact CA-O 3.31Å; Y250-G719 WeakPolarHBondContact CA-O 3.37Å; Y250-G719 WeakPolarHBondContact CB-O 3.21Å; Y251-G719 VanDerWaalsContact CD1-C 3.48Å; Y251-G719 WeakPolarHBondContact CD1-O 3.35Å; Y251-G719 VanDerWaalsContact CE1-CA 3.45Å; Y251-G719 PolarHBondContact N-O 2.6Å; Y251-G719 PolarHBondContact O-N 3.19Å |
| 720 | F | 97.5 | Very high | 93.5 | Very high | 37 Ų | 37 | 28.7 Ų | 28.7 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 165.7 | -178.8 | 53 | -81.5 | 0 | 0 | 0 | 108.1 | S693 S695 V723 S745 | S693-F720 WeakPolarHBondContact O-CZ 3.44Å; S695-F720 VanDerWaalsContact OG-CE1 3.29Å; S695-F720 WeakPolarHBondContact OG-CE1 3.45Å; F720-V723 HydrophobicContact CE2-CG2 4.34Å; F720-S745 WeakPolarHBondContact O-CB 3.46Å; F720-S745 PolarHBondContact O-OG 3Å; F720-S745 VanDerWaalsContact O-OG 3.05Å |
| 721 | G | 96.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | trans | -73.3 | 169.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | S745 | G721-S745 VanDerWaalsContact C-OG 3.24Š| ||
| 722 | P | 96.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 19.9 Ų | 19.9 | 3% | 0.032 | 11% | 0.111 | C | C | . | . | trans | -66.3 | 139.6 | 176.5 | 30.4 | -35.4 | 0 | 0 | 0 | 110.7 | S745 K747 | P722-S745 WeakPolarHBondContact CD-OG 3.35Å; P722-S745 VanDerWaalsContact N-OG 3.11Å; P722-K747 HydrophobicContact CG-CD 3.9Å; P722-K747 HydrophobicContact CG-CG 3.83Å | ||
| 723 | V | 93.6 | Very high | 95.2 | Very high | 90 Ų | 90 | 16.7 Ų | 16.7 | 55% | 0.545 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -84.3 | -22.7 | -179 | 178.8 | 0 | 0 | 0 | 0 | 112.1 | F720 | F720-V723 HydrophobicContact CE2-CG2 4.34Š|
| 724 | A | 95 | Very high | 95.5 | Very high | 9 Ų | 9 | 17.2 Ų | 17.2 | 7% | 0.074 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -120.4 | 140.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109 | P689 D726 G727 | P689-A724 HydrophobicContact CB-CB 4.24Å; A724-D726 PolarHBondContact O-N 3.34Å; A724-G727 PolarHBondContact O-N 2.89Å; A724-G727 VanDerWaalsContact O-N 3.13Å |
| 725 | D | 95.4 | Very high | 95.4 | Very high | 109 Ų | 109 | 17.1 Ų | 17.1 | 58% | 0.583 | 10% | 0.099 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.4 | 179.6 | -67.1 | -34 | 0 | 0 | 0 | 112.1 | K747 C750 | D725-K747 HydrophobicContact CB-CG 4.45Å; D725-K747 WeakPolarHBondContact O-CB 3.49Å; D725-C750 WeakPolarHBondContact O-CB 3.47Å |
| 726 | D | 96.7 | Very high | 95.1 | Very high | 55 Ų | 55 | 17.3 Ų | 17.3 | 29% | 0.294 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 31.5 | 175.5 | 71.3 | -26.1 | 0 | 0 | 0 | 113.1 | R691 A724 | R691-D726 IonicContact CZ-OD2 3.43Å; R691-D726 IonicContact NE-OD1 2.67Å; R691-D726 IonicContact NE-OD2 2.73Å; R691-D726 PolarHBondContact NE-OD2 3.02Å; R691-D726 IonicContact NH2-OD2 3.92Å; R691-D726 PolarHBondContact NH2-OD2 3.19Å; A724-D726 PolarHBondContact O-N 3.34Å |
| 727 | G | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -143 | -174.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R691 A724 | R691-G727 CarbonylContact O-C 3.42Å; R691-G727 WeakPolarHBondContact O-CA 3.47Å; A724-G727 PolarHBondContact O-N 2.89Å; A724-G727 VanDerWaalsContact O-N 3.13Å |
| 728 | Y | 98.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142 | -177.7 | -63.8 | -76.6 | 0 | 0 | 0 | 111.4 | Y586 D589 R691 L692 S693 I744 S745 A746 T753 S754 R757 F758 | Y586-Y728 AromaticContact CD2-CD2 3.89Å; Y586-Y728 HydrophobicContact CD2-CD2 3.89Å; Y586-Y728 HydrophobicContact CD2-CE2 4.3Å; Y586-Y728 AromaticContact CE2-CD2 3.86Å; Y586-Y728 HydrophobicContact CE2-CD2 3.86Å; Y586-Y728 HydrophobicContact CE2-CE2 4.25Å; D589-Y728 PolarHBondContact OD2-OH 3.34Å; R691-Y728 PolarHBondContact O-N 3.08Å; L692-Y728 WeakPolarHBondContact CA-O 3.3Å; S693-Y728 PolarHBondContact N-O 3.09Å; Y728-I744 HydrophobicContact CD1-CG2 4.34Å; Y728-S745 WeakPolarHBondContact CA-O 3.47Å; Y728-A746 HydrophobicContact CD1-CB 3.8Å; Y728-A746 HydrophobicContact CE1-CB 3.81Å; Y728-T753 HydrophobicContact CE1-CG2 4.33Å; Y728-T753 HydrophobicContact CE2-CG2 3.98Å; Y728-T753 WeakPolarHBondContact OH-CA 3.34Å; Y728-S754 WeakPolarHBondContact CE1-O 3.35Å; Y728-S754 PolarHBondContact OH-N 3.26Å; Y728-S754 VanDerWaalsContact OH-N 3.07Å; Y728-R757 PolarHBondContact OH-NH2 3.08Å; Y728-F758 HydrophobicContact CD1-CB 4.19Å; Y728-F758 AromaticContact CD1-CD2 4Å; Y728-F758 HydrophobicContact CD1-CD2 4Å; Y728-F758 HydrophobicContact CD1-CG 4.14Å; Y728-F758 AromaticContact CD2-CD2 3.72Å; Y728-F758 HydrophobicContact CD2-CD2 3.72Å; Y728-F758 AromaticContact CD2-CE2 3.82Å; Y728-F758 HydrophobicContact CD2-CE2 3.82Å; Y728-F758 HydrophobicContact CE1-CB 3.77Å; Y728-F758 AromaticContact CE1-CD2 3.89Å; Y728-F758 HydrophobicContact CE1-CD2 3.89Å; Y728-F758 HydrophobicContact CE1-CG 4.08Å; Y728-F758 AromaticContact CE2-CD2 3.58Å; Y728-F758 HydrophobicContact CE2-CD2 3.58Å; Y728-F758 HydrophobicContact CE2-CE2 4.02Å; Y728-F758 AromaticContact CG-CD2 3.92Å; Y728-F758 HydrophobicContact CG-CD2 3.92Å; Y728-F758 HydrophobicContact CG-CE2 4.15Å; Y728-F758 HydrophobicContact CG-CG 4.41Å; Y728-F758 AromaticContact CZ-CD2 3.66Å |
| 729 | G | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 130.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | S693 I744 S745 | S693-G729 CarbonylContact O-C 3.35Å; S693-G729 WeakPolarHBondContact O-CA 3.12Å; G729-I744 CarbonylContact O-C 3.5Å; G729-I744 VanDerWaalsContact O-CA 3.32Å; G729-I744 WeakPolarHBondContact O-CA 3.48Å; G729-S745 WeakPolarHBondContact CA-OG 3.3Å; G729-S745 PolarHBondContact N-O 2.96Å; G729-S745 PolarHBondContact N-OG 2.76Å; G729-S745 PolarHBondContact O-N 3.34Å; G729-S745 PolarHBondContact O-OG 3.31Å |
| 730 | V | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 104.2 | 179 | -171.7 | 0 | 0 | 0 | 0 | 111 | L582 L692 S693 T694 S695 H743 I744 F758 | L582-V730 HydrophobicContact CD1-CG1 4.28Å; L582-V730 HydrophobicContact CD2-CB 4.43Å; L582-V730 HydrophobicContact CD2-CG1 3.79Å; L582-V730 HydrophobicContact CD2-CG2 4.5Å; L692-V730 HydrophobicContact CD1-CG2 3.81Å; S693-V730 PolarHBondContact O-N 3.47Å; T694-V730 CarbonylContact C-O 3.5Å; T694-V730 WeakPolarHBondContact CA-O 3.22Å; T694-V730 HydrophobicContact CG2-CB 4.41Å; S695-V730 PolarHBondContact N-O 3.44Å; V730-H743 CarbonylContact C-O 3.56Å; V730-H743 VanDerWaalsContact CA-O 3.31Å; V730-H743 WeakPolarHBondContact CA-O 3.45Å; V730-I744 HydrophobicContact CG1-CG1 4.16Å; V730-I744 HydrophobicContact CG2-CG1 4.22Å; V730-I744 HydrophobicContact CG2-CG2 4.32Å; V730-F758 HydrophobicContact CG2-CE1 3.93Å; V730-F758 HydrophobicContact CG2-CZ 4.4Å |
| 731 | S | 98.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 145.8 | 167.6 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | S695 G718 Y742 H743 | S695-S731 CarbonylContact O-C 3.56Å; S695-S731 VanDerWaalsContact O-CA 3.31Å; S695-S731 WeakPolarHBondContact O-CA 3.45Å; G718-S731 WeakPolarHBondContact O-CB 3.39Å; G718-S731 PolarHBondContact O-OG 3.16Å; S731-Y742 CarbonylContact O-C 3.14Å; S731-Y742 WeakPolarHBondContact O-CA 3.43Å; S731-H743 PolarHBondContact N-O 3.16Å; S731-H743 PolarHBondContact O-N 3.31Å |
| 732 | Y | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 157.7 | 173.8 | 60.1 | -89.1 | 0 | 0 | 0 | 112.6 | D575 I578 Q579 L582 S695 Q696 T697 I734 S741 Y742 | D575-Y732 PolarHBondContact OD1-OH 2.79Å; I578-Y732 HydrophobicContact CB-CE2 4.33Å; I578-Y732 HydrophobicContact CD1-CD2 3.74Å; I578-Y732 HydrophobicContact CD1-CE2 3.87Å; I578-Y732 HydrophobicContact CG2-CD1 3.89Å; I578-Y732 HydrophobicContact CG2-CD2 3.96Å; I578-Y732 HydrophobicContact CG2-CE1 3.84Å; I578-Y732 HydrophobicContact CG2-CE2 3.91Å; I578-Y732 HydrophobicContact CG2-CG 3.96Å; Q579-Y732 PolarHBondContact NE2-OH 3.29Å; L582-Y732 HydrophobicContact CD1-CD1 4.39Å; L582-Y732 HydrophobicContact CD1-CE1 4.23Å; S695-Y732 WeakPolarHBondContact O-CD1 3.39Å; S695-Y732 PolarHBondContact O-N 3.18Å; Q696-Y732 WeakPolarHBondContact CA-O 3.34Å; Q696-Y732 HydrophobicContact CB-CD2 4.38Å; Q696-Y732 HydrophobicContact CB-CE2 3.68Å; Q696-Y732 HydrophobicContact CG-CD2 4.08Å; Q696-Y732 HydrophobicContact CG-CE2 3.59Å; T697-Y732 PolarHBondContact N-O 3.01Å; Y732-I734 HydrophobicContact CD2-CG1 4.46Å; Y732-S741 CarbonylContact C-O 3.4Å; Y732-S741 WeakPolarHBondContact CA-O 3.37Å; Y732-S741 WeakPolarHBondContact CB-O 3.48Å; Y732-Y742 HydrophobicContact CG-CD1 4.45Å; Y732-Y742 HydrophobicContact CG-CE1 4.37Å |
| 733 | I | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 134.5 | -179.1 | -176.9 | 162.1 | 0 | 0 | 0 | 109.5 | T697 Q699 A716 V740 S741 | T697-I733 HydrophobicContact CG2-CD1 4.44Å; Q699-I733 HydrophobicContact CG-CD1 3.24Å; Q699-I733 HydrophobicContact CG-CG1 3.36Å; A716-I733 WeakPolarHBondContact O-CG2 3.39Å; I733-V740 CarbonylContact O-C 3.56Å; I733-V740 VanDerWaalsContact O-CA 3.28Å; I733-V740 WeakPolarHBondContact O-CA 3.23Å; I733-V740 VanDerWaalsContact O-CG1 3.29Å; I733-V740 WeakPolarHBondContact O-CG1 3.35Å; I733-S741 VanDerWaalsContact CG2-CB 3.48Å; I733-S741 PolarHBondContact N-O 3.17Å; I733-S741 PolarHBondContact O-N 2.9Å |
| 734 | I | 93.6 | Very high | 94.9 | Very high | 18 Ų | 18 | 22.2 Ų | 22.2 | 9% | 0.092 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 101.7 | 179.2 | -54.3 | -178.7 | 0 | 0 | 0 | 107.8 | K564 P574 I578 Y732 V740 | K564-I734 HydrophobicContact CB-CG2 3.71Å; K564-I734 HydrophobicContact CD-CG2 3.75Å; K564-I734 HydrophobicContact CG-CG2 3.91Å; P574-I734 HydrophobicContact CB-CD1 3.66Å; I578-I734 HydrophobicContact CD1-CD1 3.72Å; I578-I734 HydrophobicContact CD1-CG1 3.84Å; Y732-I734 HydrophobicContact CD2-CG1 4.46Å; I734-V740 HydrophobicContact CG1-CG1 4.49Å |
| 735 | A | 86.5 | Confident | 95.1 | Very high | 12 Ų | 12 | 21.8 Ų | 21.8 | 10% | 0.099 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 103.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V714 V739 | V714-A735 HydrophobicContact CB-CB 4.41Å; V714-A735 HydrophobicContact CG1-CB 3.48Å; V714-A735 VanDerWaalsContact CG1-CB 3.48Å; A735-V739 CarbonylContact C-O 3.53Å; A735-V739 HydrophobicContact CB-CB 4.09Å; A735-V739 HydrophobicContact CB-CG1 4.26Å; A735-V739 PolarHBondContact N-O 2.91Å; A735-V739 WeakPolarHBondContact O-CB 3.07Å; A735-V739 PolarHBondContact O-N 3.47Å |
| 736 | G | 83.8 | Confident | 95.2 | Very high | 11 Ų | 11 | 16.6 Ų | 16.6 | 11% | 0.113 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | -154.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K564 | K564-G736 VanDerWaalsContact CD-O 3.23Å; K564-G736 WeakPolarHBondContact CD-O 3.31Å; K564-G736 WeakPolarHBondContact CE-O 3.42Å; K564-G736 VanDerWaalsContact CG-O 3.24Å; K564-G736 WeakPolarHBondContact CG-O 3.31Å; K564-G736 PolarHBondContact NZ-O 2.89Å; K564-G736 VanDerWaalsContact NZ-O 3.09Å |
| 737 | D | 89.6 | Confident | 95.3 | Very high | 69 Ų | 69 | 14.3 Ų | 14.3 | 37% | 0.369 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -14 | -177.8 | -80.4 | -22.1 | 0 | 0 | 0 | 114.4 | G563 K564 G565 | G563-D737 CarbonylContact C-O 3.53Å; G563-D737 WeakPolarHBondContact CA-O 3.34Å; G563-D737 PolarHBondContact N-O 2.96Å; K564-D737 WeakPolarHBondContact CE-OD1 3.29Å; K564-D737 WeakPolarHBondContact CG-OD1 3.43Å; K564-D737 PolarHBondContact N-O 2.73Å; K564-D737 IonicContact NZ-OD1 2.7Å; G565-D737 PolarHBondContact N-O 2.99Å |
| 738 | H | 90.8 | Very high | 95.3 | Very high | 132 Ų | 132 | 18.4 Ų | 18.4 | 61% | 0.611 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.6 | -9.3 | -167.2 | -59.4 | -66.7 | 0 | 0 | 0 | 115.1 | F562 | F562-H738 CarbonylContact C-O 3.54Å; F562-H738 VanDerWaalsContact C-O 3.3Å |
| 739 | V | 92.2 | Very high | 95.2 | Very high | 40 Ų | 40 | 22.2 Ų | 22.2 | 24% | 0.242 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.5 | -174.2 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | V558 Y559 K560 A735 | V558-V739 HydrophobicContact CG1-CG1 3.75Å; Y559-V739 WeakPolarHBondContact O-CA 3.32Å; K560-V739 HydrophobicContact CG-CG2 4.3Å; A735-V739 CarbonylContact C-O 3.53Å; A735-V739 HydrophobicContact CB-CB 4.09Å; A735-V739 HydrophobicContact CB-CG1 4.26Å; A735-V739 PolarHBondContact N-O 2.91Å; A735-V739 WeakPolarHBondContact O-CB 3.07Å; A735-V739 PolarHBondContact O-N 3.47Å |
| 740 | V | 95.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 123.4 | 168.5 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | Y559 M567 I578 I733 I734 Y742 | Y559-V740 WeakPolarHBondContact CA-O 3.49Å; Y559-V740 VanDerWaalsContact CB-O 3.25Å; Y559-V740 WeakPolarHBondContact CB-O 3.38Å; Y559-V740 PolarHBondContact N-O 2.93Å; Y559-V740 PolarHBondContact O-N 2.79Å; M567-V740 HydrophobicContact CE-CG2 4.13Å; I578-V740 HydrophobicContact CD1-CG1 3.89Å; I733-V740 CarbonylContact O-C 3.56Å; I733-V740 VanDerWaalsContact O-CA 3.28Å; I733-V740 WeakPolarHBondContact O-CA 3.23Å; I733-V740 VanDerWaalsContact O-CG1 3.29Å; I733-V740 WeakPolarHBondContact O-CG1 3.35Å; I734-V740 HydrophobicContact CG1-CG1 4.49Å; V740-Y742 HydrophobicContact CB-CE2 3.78Å; V740-Y742 HydrophobicContact CG1-CD2 4.2Å; V740-Y742 HydrophobicContact CG1-CE1 4.02Å; V740-Y742 HydrophobicContact CG1-CE2 3.5Å; V740-Y742 VanDerWaalsContact CG1-CZ 3.4Å; V740-Y742 WeakPolarHBondContact CG1-OH 3.45Å |
| 741 | S | 95.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 138.7 | 174.3 | -49.2 | 0 | 0 | 0 | 0 | 110.1 | M557 A716 Y732 I733 | M557-S741 CarbonylContact O-C 3.59Å; M557-S741 VanDerWaalsContact O-CA 3.29Å; M557-S741 WeakPolarHBondContact O-CA 3.44Å; A716-S741 VanDerWaalsContact O-CB 3.24Å; A716-S741 WeakPolarHBondContact O-CB 3.18Å; Y732-S741 CarbonylContact C-O 3.4Å; Y732-S741 WeakPolarHBondContact CA-O 3.37Å; Y732-S741 WeakPolarHBondContact CB-O 3.48Å; I733-S741 VanDerWaalsContact CG2-CB 3.48Å; I733-S741 PolarHBondContact N-O 3.17Å; I733-S741 PolarHBondContact O-N 2.9Å |
| 742 | Y | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 138.8 | -178.7 | -61.4 | -90.8 | 0 | 0 | 0 | 109.7 | L556 M557 I578 S731 Y732 V740 L762 L766 | L556-Y742 CarbonylContact C-O 3.44Å; L556-Y742 VanDerWaalsContact CA-O 3.23Å; L556-Y742 WeakPolarHBondContact CA-O 3.42Å; M557-Y742 HydrophobicContact CE-CD2 3.57Å; M557-Y742 HydrophobicContact CE-CE2 3.96Å; M557-Y742 HydrophobicContact CE-CG 4.23Å; M557-Y742 PolarHBondContact N-O 3.07Å; M557-Y742 PolarHBondContact O-N 3.22Å; I578-Y742 HydrophobicContact CG2-CE1 3.86Å; S731-Y742 CarbonylContact O-C 3.14Å; S731-Y742 WeakPolarHBondContact O-CA 3.43Å; Y732-Y742 HydrophobicContact CG-CD1 4.45Å; Y732-Y742 HydrophobicContact CG-CE1 4.37Å; V740-Y742 HydrophobicContact CB-CE2 3.78Å; V740-Y742 HydrophobicContact CG1-CD2 4.2Å; V740-Y742 HydrophobicContact CG1-CE1 4.02Å; V740-Y742 HydrophobicContact CG1-CE2 3.5Å; V740-Y742 VanDerWaalsContact CG1-CZ 3.4Å; V740-Y742 WeakPolarHBondContact CG1-OH 3.45Å; Y742-L762 HydrophobicContact CD1-CD2 3.57Å; Y742-L762 HydrophobicContact CD2-CD2 4.29Å; Y742-L762 HydrophobicContact CE1-CD2 3.89Å; Y742-L762 HydrophobicContact CG-CD2 3.78Å; Y742-L766 HydrophobicContact CE2-CD1 3.98Å |
| 743 | H | 98 | Very high | 95 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 107.3 | 175.3 | -66.4 | -111.9 | 0 | 0 | 0 | 107.8 | Y251 L556 A716 G718 V730 S731 | Y251-H743 AromaticContact CE2-ND1 3.64Å; Y251-H743 AromaticContact CZ-ND1 3.5Å; Y251-H743 PolarHBondContact OH-ND1 3.18Å; L556-H743 HydrophobicContact CD1-CB 4.41Å; L556-H743 WeakPolarHBondContact CD2-CE1 3.23Å; L556-H743 VanDerWaalsContact CD2-ND1 3.33Å; L556-H743 WeakPolarHBondContact CD2-ND1 3.31Å; L556-H743 HydrophobicContact CG-CB 4.34Å; A716-H743 PolarHBondContact O-NE2 3.29Å; G718-H743 PolarHBondContact N-NE2 3.34Å; V730-H743 CarbonylContact C-O 3.56Å; V730-H743 VanDerWaalsContact CA-O 3.31Å; V730-H743 WeakPolarHBondContact CA-O 3.45Å; S731-H743 PolarHBondContact N-O 3.16Å; S731-H743 PolarHBondContact O-N 3.31Å |
| 744 | I | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.6 | -177.9 | -56.7 | 151.3 | 0 | 0 | 0 | 108.8 | M554 A555 Y728 G729 V730 A755 F758 R759 L762 | M554-I744 CarbonylContact C-O 3.52Å; M554-I744 WeakPolarHBondContact CA-O 3.41Å; A555-I744 PolarHBondContact N-O 3.23Å; A555-I744 VanDerWaalsContact O-CB 3.28Å; A555-I744 WeakPolarHBondContact O-CB 3.26Å; A555-I744 PolarHBondContact O-N 2.84Å; Y728-I744 HydrophobicContact CD1-CG2 4.34Å; G729-I744 CarbonylContact O-C 3.5Å; G729-I744 VanDerWaalsContact O-CA 3.32Å; G729-I744 WeakPolarHBondContact O-CA 3.48Å; V730-I744 HydrophobicContact CG1-CG1 4.16Å; V730-I744 HydrophobicContact CG2-CG1 4.22Å; V730-I744 HydrophobicContact CG2-CG2 4.32Å; I744-A755 HydrophobicContact CG2-CB 3.98Å; I744-F758 HydrophobicContact CD1-CD1 4.01Å; I744-F758 HydrophobicContact CG1-CD1 4.21Å; I744-F758 HydrophobicContact CG2-CB 4.15Å; I744-F758 HydrophobicContact CG2-CD1 3.92Å; I744-F758 HydrophobicContact CG2-CG 4.26Å; I744-R759 HydrophobicContact CD1-CB 3.76Å; I744-R759 HydrophobicContact CD1-CG 4.44Å; I744-L762 HydrophobicContact CD1-CD2 4.3Å |
| 745 | S | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 140.6 | 176.5 | 68.7 | 0 | 0 | 0 | 0 | 111 | E553 M554 F720 G721 P722 Y728 G729 | E553-S745 VanDerWaalsContact O-CA 3.27Å; E553-S745 WeakPolarHBondContact O-CA 3.3Å; M554-S745 VanDerWaalsContact SD-CB 3.5Å; F720-S745 WeakPolarHBondContact O-CB 3.46Å; F720-S745 PolarHBondContact O-OG 3Å; F720-S745 VanDerWaalsContact O-OG 3.05Å; G721-S745 VanDerWaalsContact C-OG 3.24Å; P722-S745 WeakPolarHBondContact CD-OG 3.35Å; P722-S745 VanDerWaalsContact N-OG 3.11Å; Y728-S745 WeakPolarHBondContact CA-O 3.47Å; G729-S745 WeakPolarHBondContact CA-OG 3.3Å; G729-S745 PolarHBondContact N-O 2.96Å; G729-S745 PolarHBondContact N-OG 2.76Å; G729-S745 PolarHBondContact O-N 3.34Å; G729-S745 PolarHBondContact O-OG 3.31Å |
| 746 | A | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 167.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | E553 Y728 A755 | E553-A746 PolarHBondContact N-O 2.95Å; E553-A746 PolarHBondContact O-N 2.77Å; Y728-A746 HydrophobicContact CD1-CB 3.8Å; Y728-A746 HydrophobicContact CE1-CB 3.81Å; A746-A755 HydrophobicContact CB-CB 4.08Å |
| 747 | K | 97.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 131.9 | 170.9 | -69.2 | -57.3 | -153.7 | 143.2 | 0 | 110.9 | D551 V552 P722 D725 S749 C750 T753 | D551-K747 CarbonylContact O-C 3.52Å; D551-K747 VanDerWaalsContact O-CA 3.25Å; D551-K747 WeakPolarHBondContact O-CA 3.42Å; D551-K747 WeakPolarHBondContact O-CD 3.28Å; D551-K747 WeakPolarHBondContact OD2-CD 3.23Å; D551-K747 IonicContact OD2-NZ 2.75Å; D551-K747 PolarHBondContact OD2-NZ 2.96Å; V552-K747 HydrophobicContact CG2-CD 4.35Å; P722-K747 HydrophobicContact CG-CD 3.9Å; P722-K747 HydrophobicContact CG-CG 3.83Å; D725-K747 HydrophobicContact CB-CG 4.45Å; D725-K747 WeakPolarHBondContact O-CB 3.49Å; K747-S749 VanDerWaalsContact C-N 3.35Å; K747-C750 HydrophobicContact CB-CB 4.32Å; K747-C750 PolarHBondContact O-N 2.66Å; K747-T753 PolarHBondContact O-OG1 2.71Å |
| 748 | V | 97.7 | Very high | 96.9 | Very high | 85 Ų | 85 | 35.5 Ų | 35.5 | 52% | 0.515 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -35.2 | 176.6 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | D551 E553 C750 | D551-V748 PolarHBondContact O-N 3.26Å; E553-V748 HydrophobicContact CB-CG2 3.92Å; V748-C750 PolarHBondContact O-N 3.06Å |
| 749 | S | 97 | Very high | 97.2 | Very high | 81 Ų | 81 | 29.9 Ų | 29.9 | 57% | 0.566 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18.3 | 176.3 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | D551 K747 P751 | D551-S749 WeakPolarHBondContact OD1-CB 2.91Å; D551-S749 PolarHBondContact OD1-N 3.04Å; D551-S749 PolarHBondContact OD1-OG 2.9Å; D551-S749 PolarHBondContact OD2-OG 3.03Å; K747-S749 VanDerWaalsContact C-N 3.35Å; S749-P751 WeakPolarHBondContact O-CD 3.09Å |
| 750 | C | 97.5 | Very high | 97.5 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 11% | 0.108 | 19% | 0.189 | C | C | . | . | trans | -87.9 | 111 | 176.1 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | D725 K747 V748 T752 T753 | D725-C750 WeakPolarHBondContact O-CB 3.47Å; K747-C750 HydrophobicContact CB-CB 4.32Å; K747-C750 PolarHBondContact O-N 2.66Å; V748-C750 PolarHBondContact O-N 3.06Å; C750-T752 PolarHBondContact O-N 3.3Å; C750-T752 VanDerWaalsContact O-N 3.11Å; C750-T752 PolarHBondContact SG-OG1 3.45Å; C750-T753 VanDerWaalsContact CB-OG1 3.31Å; C750-T753 WeakPolarHBondContact CB-OG1 3.26Å; C750-T753 PolarHBondContact O-N 2.72Å; C750-T753 VanDerWaalsContact O-N 3.17Å; C750-T753 PolarHBondContact O-OG1 3.17Å | ||
| 751 | P | 96.2 | Very high | 97.6 | Very high | 120 Ų | 120 | 31.7 Ų | 31.7 | 78% | 0.779 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -19.7 | -174.4 | 27.9 | -35.9 | 0 | 0 | 0 | 113.2 | S749 | S749-P751 WeakPolarHBondContact O-CD 3.09Š|
| 752 | T | 96.5 | Very high | 97.7 | Very high | 72 Ų | 72 | 31.5 Ų | 31.5 | 44% | 0.442 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -9.7 | -179 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | Q590 C750 R757 | Q590-T752 PolarHBondContact NE2-O 2.91Å; C750-T752 PolarHBondContact O-N 3.3Å; C750-T752 VanDerWaalsContact O-N 3.11Å; C750-T752 PolarHBondContact SG-OG1 3.45Å; T752-R757 PolarHBondContact O-NH2 3.26Å |
| 753 | T | 97.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 35.3 Ų | 35.3 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | trans | -113.6 | 144.7 | 179.5 | 58.6 | 0 | 0 | 0 | 0 | 112.1 | Y728 K747 C750 | Y728-T753 HydrophobicContact CE1-CG2 4.33Å; Y728-T753 HydrophobicContact CE2-CG2 3.98Å; Y728-T753 WeakPolarHBondContact OH-CA 3.34Å; K747-T753 PolarHBondContact O-OG1 2.71Å; C750-T753 VanDerWaalsContact CB-OG1 3.31Å; C750-T753 WeakPolarHBondContact CB-OG1 3.26Å; C750-T753 PolarHBondContact O-N 2.72Å; C750-T753 VanDerWaalsContact O-N 3.17Å; C750-T753 PolarHBondContact O-OG1 3.17Å | ||
| 754 | S | 98.1 | Very high | 97.8 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 15% | 0.154 | 24% | 0.238 | C | C | . | . | trans | -153.1 | 124.3 | 168.6 | 164.8 | 0 | 0 | 0 | 0 | 109.9 | E553 Y728 S756 R757 F758 | E553-S754 PolarHBondContact OE1-OG 3.11Å; E553-S754 VanDerWaalsContact OE2-CA 3.26Å; E553-S754 WeakPolarHBondContact OE2-CA 3.5Å; E553-S754 PolarHBondContact OE2-OG 3.24Å; Y728-S754 WeakPolarHBondContact CE1-O 3.35Å; Y728-S754 PolarHBondContact OH-N 3.26Å; Y728-S754 VanDerWaalsContact OH-N 3.07Å; S754-S756 PolarHBondContact OG-OG 3.21Å; S754-R757 PolarHBondContact O-N 3.2Å; S754-R757 PolarHBondContact OG-N 2.56Å; S754-F758 WeakPolarHBondContact O-CB 3.39Å; S754-F758 PolarHBondContact O-N 3.23Å | ||
| 755 | A | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.4 | -42.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111 | E553 A555 I744 A746 F758 R759 | E553-A755 HydrophobicContact CB-CB 4.06Å; E553-A755 HydrophobicContact CG-CB 3.87Å; E553-A755 WeakPolarHBondContact O-CB 3.05Å; E553-A755 PolarHBondContact OE2-N 2.89Å; A555-A755 HydrophobicContact CB-CB 3.69Å; A555-A755 WeakPolarHBondContact CB-O 3.16Å; I744-A755 HydrophobicContact CG2-CB 3.98Å; A746-A755 HydrophobicContact CB-CB 4.08Å; A755-F758 PolarHBondContact O-N 3.01Å; A755-R759 WeakPolarHBondContact O-CB 3.41Å; A755-R759 PolarHBondContact O-N 3.43Å |
| 756 | S | 96.7 | Very high | 97.8 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 35% | 0.35 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 176.4 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | E553 S754 R759 A760 | E553-S756 VanDerWaalsContact OE1-CB 3.23Å; E553-S756 WeakPolarHBondContact OE1-CB 3.35Å; E553-S756 PolarHBondContact OE1-N 2.85Å; E553-S756 PolarHBondContact OE1-OG 3.38Å; S754-S756 PolarHBondContact OG-OG 3.21Å; S756-R759 WeakPolarHBondContact O-CB 3.36Å; S756-R759 PolarHBondContact O-N 3.23Å; S756-A760 PolarHBondContact O-N 3.45Å |
| 757 | R | 97.4 | Very high | 97.8 | Very high | 104 Ų | 104 | 44 Ų | 44 | 39% | 0.392 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 173.6 | -166.5 | 178.3 | 71 | -142.4 | -2.2 | 111.7 | D589 Y728 T752 S754 A760 G761 | D589-R757 VanDerWaalsContact CG-NH2 3.31Å; D589-R757 IonicContact OD1-CZ 3.83Å; D589-R757 VanDerWaalsContact OD1-CZ 3.25Å; D589-R757 IonicContact OD1-NE 2.76Å; D589-R757 PolarHBondContact OD1-NE 3.37Å; D589-R757 IonicContact OD1-NH2 3.76Å; D589-R757 PolarHBondContact OD1-NH2 2.61Å; D589-R757 IonicContact OD2-CZ 2.91Å; D589-R757 IonicContact OD2-NH2 2.79Å; D589-R757 PolarHBondContact OD2-NH2 3.33Å; Y728-R757 PolarHBondContact OH-NH2 3.08Å; T752-R757 PolarHBondContact O-NH2 3.26Å; S754-R757 PolarHBondContact O-N 3.2Å; S754-R757 PolarHBondContact OG-N 2.56Å; R757-A760 PolarHBondContact O-N 2.63Å; R757-G761 PolarHBondContact O-N 3.5Å |
| 758 | F | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 176.1 | -164.7 | -81 | 0 | 0 | 0 | 111.8 | L582 T585 Y586 L692 Y728 V730 I744 S754 A755 G761 L762 | L582-F758 HydrophobicContact CD2-CE1 4.11Å; L582-F758 HydrophobicContact CD2-CZ 4.48Å; T585-F758 HydrophobicContact CG2-CD1 3.87Å; T585-F758 HydrophobicContact CG2-CD2 3.99Å; T585-F758 HydrophobicContact CG2-CE1 3.67Å; T585-F758 HydrophobicContact CG2-CE2 3.81Å; T585-F758 HydrophobicContact CG2-CG 4.03Å; T585-F758 HydrophobicContact CG2-CZ 3.64Å; Y586-F758 HydrophobicContact CD2-CE2 4.16Å; L692-F758 HydrophobicContact CD1-CZ 4.23Å; Y728-F758 HydrophobicContact CD1-CB 4.19Å; Y728-F758 AromaticContact CD1-CD2 4Å; Y728-F758 HydrophobicContact CD1-CD2 4Å; Y728-F758 HydrophobicContact CD1-CG 4.14Å; Y728-F758 AromaticContact CD2-CD2 3.72Å; Y728-F758 HydrophobicContact CD2-CD2 3.72Å; Y728-F758 AromaticContact CD2-CE2 3.82Å; Y728-F758 HydrophobicContact CD2-CE2 3.82Å; Y728-F758 HydrophobicContact CE1-CB 3.77Å; Y728-F758 AromaticContact CE1-CD2 3.89Å; Y728-F758 HydrophobicContact CE1-CD2 3.89Å; Y728-F758 HydrophobicContact CE1-CG 4.08Å; Y728-F758 AromaticContact CE2-CD2 3.58Å; Y728-F758 HydrophobicContact CE2-CD2 3.58Å; Y728-F758 HydrophobicContact CE2-CE2 4.02Å; Y728-F758 AromaticContact CG-CD2 3.92Å; Y728-F758 HydrophobicContact CG-CD2 3.92Å; Y728-F758 HydrophobicContact CG-CE2 4.15Å; Y728-F758 HydrophobicContact CG-CG 4.41Å; Y728-F758 AromaticContact CZ-CD2 3.66Å; V730-F758 HydrophobicContact CG2-CE1 3.93Å; V730-F758 HydrophobicContact CG2-CZ 4.4Å; I744-F758 HydrophobicContact CD1-CD1 4.01Å; I744-F758 HydrophobicContact CG1-CD1 4.21Å; I744-F758 HydrophobicContact CG2-CB 4.15Å; I744-F758 HydrophobicContact CG2-CD1 3.92Å; I744-F758 HydrophobicContact CG2-CG 4.26Å; S754-F758 WeakPolarHBondContact O-CB 3.39Å; S754-F758 PolarHBondContact O-N 3.23Å; A755-F758 PolarHBondContact O-N 3.01Å; F758-G761 PolarHBondContact O-N 3.14Å; F758-L762 WeakPolarHBondContact O-CB 3.3Å; F758-L762 PolarHBondContact O-N 3.39Å |
| 759 | R | 97.8 | Very high | 97.8 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.4 | -49.3 | 172.8 | 175.9 | 176 | 74 | -162.1 | 2.8 | 111.7 | D426 D431 A555 L556 M557 I744 A755 S756 G761 L762 R763 | D426-R759 VanDerWaalsContact O-CZ 3.3Å; D426-R759 PolarHBondContact O-NH1 2.78Å; D426-R759 PolarHBondContact O-NH2 2.81Å; D426-R759 IonicContact OD2-CZ 2.67Å; D426-R759 IonicContact OD2-NE 3.1Å; D426-R759 IonicContact OD2-NH2 2.56Å; D426-R759 PolarHBondContact OD2-NH2 2.9Å; D431-R759 IonicContact OD1-NH1 3.88Å; D431-R759 PolarHBondContact OD1-NH1 3.41Å; D431-R759 IonicContact OD2-CZ 3.29Å; D431-R759 IonicContact OD2-NH1 3.08Å; D431-R759 PolarHBondContact OD2-NH1 3.35Å; D431-R759 IonicContact OD2-NH2 3.53Å; A555-R759 HydrophobicContact CB-CB 4.04Å; L556-R759 WeakPolarHBondContact O-CD 3.44Å; L556-R759 PolarHBondContact O-NH1 3.3Å; L556-R759 VanDerWaalsContact O-NH1 3.14Å; M557-R759 HydrophobicContact CB-CG 4.04Å; M557-R759 HydrophobicContact SD-CG 4.28Å; I744-R759 HydrophobicContact CD1-CB 3.76Å; I744-R759 HydrophobicContact CD1-CG 4.44Å; A755-R759 WeakPolarHBondContact O-CB 3.41Å; A755-R759 PolarHBondContact O-N 3.43Å; S756-R759 WeakPolarHBondContact O-CB 3.36Å; S756-R759 PolarHBondContact O-N 3.23Å; R759-G761 VanDerWaalsContact C-N 3.35Å; R759-L762 PolarHBondContact O-N 3.19Å; R759-R763 PolarHBondContact O-N 3.31Å |
| 760 | A | 97.4 | Very high | 97.8 | Very high | 57 Ų | 57 | 41.4 Ų | 41.4 | 47% | 0.471 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.4 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | S756 R757 L762 R763 K764 | S756-A760 PolarHBondContact O-N 3.45Å; R757-A760 PolarHBondContact O-N 2.63Å; A760-L762 VanDerWaalsContact C-N 3.31Å; A760-L762 PolarHBondContact O-N 2.84Å; A760-R763 PolarHBondContact O-N 3.22Å; A760-K764 PolarHBondContact O-N 3.16Å |
| 761 | G | 98.3 | Very high | 97.7 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -37.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R757 F758 R759 K764 S765 | R757-G761 PolarHBondContact O-N 3.5Å; F758-G761 PolarHBondContact O-N 3.14Å; R759-G761 VanDerWaalsContact C-N 3.35Å; G761-K764 PolarHBondContact O-N 3.43Å; G761-S765 WeakPolarHBondContact O-CB 3.37Å; G761-S765 PolarHBondContact O-N 3.27Å; G761-S765 PolarHBondContact O-OG 3Å |
| 762 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.1 | -45.7 | 177.6 | -178.3 | 56.4 | 0 | 0 | 0 | 111.6 | M557 A581 L582 T585 Y742 I744 F758 R759 A760 K764 S765 L766 | M557-L762 HydrophobicContact CE-CB 4.38Å; M557-L762 HydrophobicContact CE-CD2 3.91Å; M557-L762 HydrophobicContact CE-CG 3.94Å; A581-L762 HydrophobicContact CB-CD1 4.26Å; L582-L762 HydrophobicContact CD2-CD1 3.94Å; L582-L762 HydrophobicContact CD2-CD2 4.06Å; T585-L762 HydrophobicContact CG2-CB 4.03Å; T585-L762 WeakPolarHBondContact OG1-CA 3.41Å; T585-L762 WeakPolarHBondContact OG1-CD1 3.01Å; Y742-L762 HydrophobicContact CD1-CD2 3.57Å; Y742-L762 HydrophobicContact CD2-CD2 4.29Å; Y742-L762 HydrophobicContact CE1-CD2 3.89Å; Y742-L762 HydrophobicContact CG-CD2 3.78Å; I744-L762 HydrophobicContact CD1-CD2 4.3Å; F758-L762 WeakPolarHBondContact O-CB 3.3Å; F758-L762 PolarHBondContact O-N 3.39Å; R759-L762 PolarHBondContact O-N 3.19Å; A760-L762 VanDerWaalsContact C-N 3.31Å; A760-L762 PolarHBondContact O-N 2.84Å; L762-K764 VanDerWaalsContact C-N 3.29Å; L762-K764 PolarHBondContact O-N 2.85Å; L762-S765 PolarHBondContact O-N 3.37Å; L762-L766 HydrophobicContact CD1-CD1 4.24Å; L762-L766 HydrophobicContact CD1-CG 4.14Å; L762-L766 HydrophobicContact CG-CD1 4.08Å; L762-L766 HydrophobicContact CG-CG 4.46Å; L762-L766 WeakPolarHBondContact O-CG 3.04Å; L762-L766 PolarHBondContact O-N 3.2Å |
| 763 | R | 97.9 | Very high | 97.5 | Very high | 80 Ų | 80 | 36 Ų | 36 | 30% | 0.302 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55.6 | -46.4 | 174.3 | -169.7 | 179.5 | -65.7 | 150.7 | -1.5 | 111 | D426 M557 Y559 R759 A760 L766 S767 | D426-R763 IonicContact OD1-CZ 3.89Å; D426-R763 IonicContact OD1-NH1 3.38Å; D426-R763 PolarHBondContact OD1-NH1 3.4Å; D426-R763 IonicContact OD1-NH2 3.04Å; D426-R763 PolarHBondContact OD1-NH2 3.26Å; M557-R763 HydrophobicContact SD-CB 3.92Å; M557-R763 HydrophobicContact SD-CG 4.3Å; Y559-R763 HydrophobicContact CE2-CG 4.42Å; R759-R763 PolarHBondContact O-N 3.31Å; A760-R763 PolarHBondContact O-N 3.22Å; R763-L766 PolarHBondContact O-N 3.37Å; R763-S767 PolarHBondContact O-N 3.07Å |
| 764 | K | 98.4 | Very high | 96.9 | Very high | 129 Ų | 129 | 41.4 Ų | 41.4 | 56% | 0.561 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -61.7 | -46.8 | 175.4 | -175.1 | 177.9 | -179.9 | -179.9 | 0 | 112 | A760 G761 L762 L766 S767 D768 | A760-K764 PolarHBondContact O-N 3.16Å; G761-K764 PolarHBondContact O-N 3.43Å; L762-K764 VanDerWaalsContact C-N 3.29Å; L762-K764 PolarHBondContact O-N 2.85Å; K764-L766 PolarHBondContact O-N 3.48Å; K764-S767 WeakPolarHBondContact O-CB 3.39Å; K764-S767 PolarHBondContact O-N 3.48Å; K764-D768 VanDerWaalsContact O-CG 3.25Å; K764-D768 PolarHBondContact O-N 3.08Å |
| 765 | S | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | -179.1 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | T585 R588 G761 L762 I769 | T585-S765 WeakPolarHBondContact OG1-CB 3.39Å; T585-S765 PolarHBondContact OG1-OG 3.05Å; R588-S765 PolarHBondContact NH1-OG 3.37Å; G761-S765 WeakPolarHBondContact O-CB 3.37Å; G761-S765 PolarHBondContact O-N 3.27Å; G761-S765 PolarHBondContact O-OG 3Å; L762-S765 PolarHBondContact O-N 3.37Å; S765-I769 WeakPolarHBondContact O-CB 3.42Å; S765-I769 WeakPolarHBondContact O-CD1 3.46Å; S765-I769 WeakPolarHBondContact O-CG1 3.46Å; S765-I769 PolarHBondContact O-N 2.94Å |
| 766 | L | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 173.2 | -70.5 | 167.7 | 0 | 0 | 0 | 111.7 | M557 Y559 F562 F577 A581 Y742 L762 R763 K764 I769 R770 | M557-L766 HydrophobicContact CE-CD1 4.05Å; Y559-L766 HydrophobicContact CD1-CD1 4.04Å; Y559-L766 HydrophobicContact CD2-CD1 4Å; Y559-L766 HydrophobicContact CE1-CB 4.28Å; Y559-L766 HydrophobicContact CE1-CD1 4.09Å; Y559-L766 HydrophobicContact CE2-CB 4.3Å; Y559-L766 HydrophobicContact CE2-CD1 4.09Å; Y559-L766 HydrophobicContact CG-CD1 3.97Å; F562-L766 HydrophobicContact CE1-CB 4.26Å; F562-L766 HydrophobicContact CZ-CB 4.11Å; F562-L766 HydrophobicContact CZ-CD2 4.02Å; F577-L766 HydrophobicContact CE1-CD2 4.07Å; A581-L766 HydrophobicContact CB-CD2 3.77Å; A581-L766 HydrophobicContact CB-CG 4.4Å; Y742-L766 HydrophobicContact CE2-CD1 3.98Å; L762-L766 HydrophobicContact CD1-CD1 4.24Å; L762-L766 HydrophobicContact CD1-CG 4.14Å; L762-L766 HydrophobicContact CG-CD1 4.08Å; L762-L766 HydrophobicContact CG-CG 4.46Å; L762-L766 WeakPolarHBondContact O-CG 3.04Å; L762-L766 PolarHBondContact O-N 3.2Å; R763-L766 PolarHBondContact O-N 3.37Å; K764-L766 PolarHBondContact O-N 3.48Å; L766-I769 PolarHBondContact O-N 3.4Å; L766-R770 WeakPolarHBondContact O-CB 3.41Å; L766-R770 PolarHBondContact O-N 2.95Å |
| 767 | S | 97.9 | Very high | 94.8 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 41% | 0.413 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 176.6 | -172.6 | 0 | 0 | 0 | 0 | 112.2 | R763 K764 I769 R770 A771 | R763-S767 PolarHBondContact O-N 3.07Å; K764-S767 WeakPolarHBondContact O-CB 3.39Å; K764-S767 PolarHBondContact O-N 3.48Å; S767-I769 PolarHBondContact O-N 3.49Å; S767-R770 WeakPolarHBondContact O-CB 3.42Å; S767-R770 PolarHBondContact O-N 3.22Å; S767-A771 PolarHBondContact O-N 3.43Å |
| 768 | D | 98.1 | Very high | 94.7 | Very high | 47 Ų | 47 | 48 Ų | 48 | 25% | 0.251 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.7 | -39 | -179.4 | -67 | -11.6 | 0 | 0 | 0 | 111.5 | R588 M627 K764 R770 A771 L772 | R588-D768 IonicContact CZ-OD2 2.84Å; R588-D768 IonicContact NH1-OD2 3.61Å; R588-D768 PolarHBondContact NH1-OD2 3.39Å; R588-D768 IonicContact NH2-OD2 3.68Å; R588-D768 PolarHBondContact NH2-OD2 3.36Å; M627-D768 HydrophobicContact CE-CB 3.9Å; K764-D768 VanDerWaalsContact O-CG 3.25Å; K764-D768 PolarHBondContact O-N 3.08Å; D768-R770 VanDerWaalsContact C-N 3.33Å; D768-A771 PolarHBondContact O-N 3.39Å; D768-L772 PolarHBondContact O-N 2.96Å |
| 769 | I | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 175.3 | -66.4 | 170.8 | 0 | 0 | 0 | 110.8 | F577 A581 L584 F623 M627 L641 S765 L766 S767 L772 F773 | F577-I769 HydrophobicContact CD2-CG2 4.41Å; F577-I769 HydrophobicContact CE1-CG2 4.08Å; F577-I769 HydrophobicContact CE2-CG2 3.46Å; F577-I769 VanDerWaalsContact CE2-CG2 3.46Å; F577-I769 HydrophobicContact CZ-CB 4.07Å; F577-I769 HydrophobicContact CZ-CG2 3.26Å; A581-I769 HydrophobicContact CB-CD1 3.8Å; L584-I769 HydrophobicContact CD2-CD1 4.08Å; L584-I769 HydrophobicContact CD2-CG1 4.04Å; F623-I769 HydrophobicContact CE1-CD1 4.32Å; F623-I769 HydrophobicContact CZ-CD1 3.94Å; F623-I769 HydrophobicContact CZ-CG1 3.95Å; M627-I769 HydrophobicContact CE-CG1 4.34Å; L641-I769 HydrophobicContact CD2-CG2 3.69Å; S765-I769 WeakPolarHBondContact O-CB 3.42Å; S765-I769 WeakPolarHBondContact O-CD1 3.46Å; S765-I769 WeakPolarHBondContact O-CG1 3.46Å; S765-I769 PolarHBondContact O-N 2.94Å; L766-I769 PolarHBondContact O-N 3.4Å; S767-I769 PolarHBondContact O-N 3.49Å; I769-L772 VanDerWaalsContact O-CB 3.32Å; I769-L772 WeakPolarHBondContact O-CB 3.2Å; I769-L772 PolarHBondContact O-N 3.49Å; I769-F773 WeakPolarHBondContact O-CD2 3.4Å |
| 770 | R | 96.7 | Very high | 94.2 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 27% | 0.268 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 175.7 | 174 | -176.7 | 174.4 | 165.6 | 0.9 | 111.5 | D561 F562 F566 L766 S767 D768 L772 F773 E774 | D561-R770 PolarHBondContact O-NH1 3.1Å; F562-R770 HydrophobicContact CD1-CB 4.3Å; F562-R770 HydrophobicContact CD1-CG 4.34Å; F562-R770 HydrophobicContact CE1-CB 3.8Å; F562-R770 HydrophobicContact CE1-CG 4.33Å; F562-R770 HydrophobicContact CZ-CB 4.45Å; F566-R770 HydrophobicContact CE1-CB 4.19Å; F566-R770 HydrophobicContact CE1-CG 4.19Å; F566-R770 HydrophobicContact CE2-CG 4.29Å; F566-R770 HydrophobicContact CZ-CB 4.13Å; F566-R770 HydrophobicContact CZ-CG 3.78Å; L766-R770 WeakPolarHBondContact O-CB 3.41Å; L766-R770 PolarHBondContact O-N 2.95Å; S767-R770 WeakPolarHBondContact O-CB 3.42Å; S767-R770 PolarHBondContact O-N 3.22Å; D768-R770 VanDerWaalsContact C-N 3.33Å; R770-L772 PolarHBondContact O-N 3.3Å; R770-L772 VanDerWaalsContact O-N 3.14Å; R770-F773 PolarHBondContact O-N 3.14Å; R770-E774 HydrophobicContact CG-CG 4.44Å; R770-E774 IonicContact CZ-OE1 2.76Å; R770-E774 IonicContact NE-OE1 3.18Å; R770-E774 PolarHBondContact NE-OE1 3.13Å; R770-E774 IonicContact NE-OE2 3.99Å; R770-E774 IonicContact NH2-OE1 3.13Å; R770-E774 PolarHBondContact NH2-OE1 3.48Å |
| 771 | A | 96.3 | Very high | 94 | Very high | 39 Ų | 39 | 52.9 Ų | 52.9 | 32% | 0.322 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.7 | -30.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S767 D768 F773 E774 | S767-A771 PolarHBondContact O-N 3.43Å; D768-A771 PolarHBondContact O-N 3.39Å; A771-F773 PolarHBondContact O-N 3.33Å; A771-E774 PolarHBondContact O-N 2.82Å |
| 772 | L | 95.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -22.5 | 173.9 | -58.5 | -178.4 | 0 | 0 | 0 | 113.8 | F623 M627 N634 R637 R638 D768 I769 R770 | F623-L772 HydrophobicContact CE2-CD1 4.45Å; M627-L772 HydrophobicContact CE-CD1 4.43Å; M627-L772 HydrophobicContact CE-CD2 4.48Å; M627-L772 HydrophobicContact SD-CD1 3.71Å; M627-L772 HydrophobicContact SD-CD2 4.04Å; M627-L772 HydrophobicContact SD-CG 4.24Å; N634-L772 HydrophobicContact CB-CD2 4.2Å; N634-L772 WeakPolarHBondContact OD1-CD2 3.47Å; R637-L772 HydrophobicContact CB-CD1 3.96Å; R637-L772 HydrophobicContact CB-CD2 3.92Å; R638-L772 WeakPolarHBondContact CD-O 3.4Å; R638-L772 HydrophobicContact CG-CB 3.91Å; R638-L772 WeakPolarHBondContact CG-O 3.43Å; R638-L772 PolarHBondContact NH1-O 2.93Å; D768-L772 PolarHBondContact O-N 2.96Å; I769-L772 VanDerWaalsContact O-CB 3.32Å; I769-L772 WeakPolarHBondContact O-CB 3.2Å; I769-L772 PolarHBondContact O-N 3.49Å; R770-L772 PolarHBondContact O-N 3.3Å; R770-L772 VanDerWaalsContact O-N 3.14Å |
| 773 | F | 93.7 | Very high | 93.3 | Very high | 51 Ų | 51 | 59.4 Ų | 59.4 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -2.1 | -176.2 | -63.3 | -88.5 | 0 | 0 | 0 | 113.8 | F566 C570 R638 L641 I769 R770 A771 | F566-F773 HydrophobicContact CE2-CB 4.34Å; F566-F773 HydrophobicContact CZ-CB 4.04Å; F566-F773 HydrophobicContact CZ-CD2 4.18Å; F566-F773 HydrophobicContact CZ-CG 4.4Å; C570-F773 HydrophobicContact CB-CD1 4.01Å; C570-F773 HydrophobicContact CB-CD2 4.38Å; C570-F773 HydrophobicContact CB-CE1 3.64Å; C570-F773 HydrophobicContact CB-CE2 4.05Å; C570-F773 HydrophobicContact CB-CG 4.36Å; C570-F773 HydrophobicContact CB-CZ 3.66Å; C570-F773 VanDerWaalsContact SG-CG 3.59Å; R638-F773 HydrophobicContact CG-CD1 4.36Å; R638-F773 HydrophobicContact CG-CE1 4.04Å; R638-F773 HydrophobicContact CG-CZ 4.13Å; L641-F773 HydrophobicContact CD2-CE2 3.64Å; L641-F773 HydrophobicContact CD2-CZ 3.82Å; I769-F773 WeakPolarHBondContact O-CD2 3.4Å; R770-F773 PolarHBondContact O-N 3.14Å; A771-F773 PolarHBondContact O-N 3.33Å |
| 774 | E | 84.4 | Confident | 93 | Very high | 123 Ų | 123 | 57.7 Ų | 57.7 | 58% | 0.575 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -15.2 | 175.3 | -66.7 | -176.1 | 153.8 | 0 | 0 | 112.1 | R770 A771 | R770-E774 HydrophobicContact CG-CG 4.44Å; R770-E774 IonicContact CZ-OE1 2.76Å; R770-E774 IonicContact NE-OE1 3.18Å; R770-E774 PolarHBondContact NE-OE1 3.13Å; R770-E774 IonicContact NE-OE2 3.99Å; R770-E774 IonicContact NH2-OE1 3.13Å; R770-E774 PolarHBondContact NH2-OE1 3.48Å; A771-E774 PolarHBondContact O-N 2.82Å |
| 775 | E | 59.4 | Low | 92.5 | Very high | 170 Ų | 170 | 51.2 Ų | 51.2 | 79% | 0.794 | 26% | 0.26 | S | S | * | . | trans | -94.2 | 0 | 167.1 | -62.6 | 175.4 | -165 | 0 | 0 | 112.6 | N634 R638 | N634-E775 VanDerWaalsContact ND2-CD 3.32Å; N634-E775 PolarHBondContact ND2-OE1 2.91Å; N634-E775 PolarHBondContact ND2-OE2 3.08Å; R638-E775 PolarHBondContact NH1-OXT 2.77Å |
Retrieved 775 of 775 residues in 1665 ms
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