| 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 | 40.7 | Very low | 44.1 | Very low | 214 Ų | 214 | 110.5 Ų | 110.5 | 100% | 1.054 | 63% | 0.634 | S | S | * | * | 0 | 23 | 0 | -100 | -176.8 | 159.7 | 0 | 0 | 112.9 | I3 | M1-I3 PolarHBondContact O-N 2.8Š| |||
| 2 | S | 45.7 | Very low | 44 | Very low | 108 Ų | 108 | 109.5 Ų | 109.5 | 76% | 0.755 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 5.6 | -161 | -41.3 | 0 | 0 | 0 | 0 | 116.1 | ||
| 3 | I | 45.2 | Very low | 43.5 | Very low | 158 Ų | 158 | 109.3 Ų | 109.3 | 81% | 0.81 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | -21.9 | -178.9 | -60.1 | 174.5 | 0 | 0 | 0 | 112.1 | M1 | M1-I3 PolarHBondContact O-N 2.8Š|
| 4 | G | 45 | Very low | 43.3 | Very low | 60 Ų | 60 | 113.6 Ų | 113.6 | 62% | 0.619 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -22.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 5 | L | 44.4 | Very low | 43.1 | Very low | 110 Ų | 110 | 111.7 Ų | 111.7 | 58% | 0.576 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -87.2 | -19.2 | -172.5 | -86.8 | 153.7 | 0 | 0 | 0 | 114.3 | G7 | L5-G7 VanDerWaalsContact C-N 3.33Å |
| 6 | I | 46.7 | Very low | 43 | Very low | 120 Ų | 120 | 114.1 Ų | 114.1 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.9 | -29.9 | 177.6 | -63.1 | 175.2 | 0 | 0 | 0 | 110.8 | V8 F9 T10 | I6-V8 PolarHBondContact O-N 3.3Å; I6-F9 PolarHBondContact O-N 3.43Å; I6-T10 PolarHBondContact O-N 2.95Å; I6-T10 PolarHBondContact O-OG1 3.12Å |
| 7 | G | 43.5 | Very low | 42.6 | Very low | 36 Ų | 36 | 116.5 Ų | 116.5 | 37% | 0.371 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.5 | -35.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L5 F9 T10 D11 | L5-G7 VanDerWaalsContact C-N 3.33Å; G7-F9 VanDerWaalsContact C-N 3.31Å; G7-F9 PolarHBondContact O-N 2.85Å; G7-T10 PolarHBondContact O-N 3.28Å; G7-T10 PolarHBondContact O-OG1 3.49Å; G7-D11 PolarHBondContact O-N 2.84Å |
| 8 | V | 45.7 | Very low | 42.1 | Very low | 90 Ų | 90 | 115 Ų | 115 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -71.8 | -28 | 179.3 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | I6 V12 | I6-V8 PolarHBondContact O-N 3.3Å; V8-V12 WeakPolarHBondContact O-CG2 3.5Å |
| 9 | F | 40.9 | Very low | 41.9 | Very low | 139 Ų | 139 | 111.7 Ų | 111.7 | 61% | 0.61 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -78.7 | -29.5 | 177.2 | -87.1 | -82.9 | 0 | 0 | 0 | 113 | I6 G7 L13 | I6-F9 PolarHBondContact O-N 3.43Å; G7-F9 VanDerWaalsContact C-N 3.31Å; G7-F9 PolarHBondContact O-N 2.85Å; F9-L13 WeakPolarHBondContact O-CB 3.35Å; F9-L13 PolarHBondContact O-N 3.34Å |
| 10 | T | 44.3 | Very low | 41.7 | Very low | 60 Ų | 60 | 112.4 Ų | 112.4 | 37% | 0.368 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -71.4 | -40.6 | 174.8 | 44.1 | 0 | 0 | 0 | 0 | 111.7 | I6 G7 V12 L13 F14 | I6-T10 PolarHBondContact O-N 2.95Å; I6-T10 PolarHBondContact O-OG1 3.12Å; G7-T10 PolarHBondContact O-N 3.28Å; G7-T10 PolarHBondContact O-OG1 3.49Å; T10-V12 PolarHBondContact O-N 3.36Å; T10-L13 PolarHBondContact O-N 2.87Å; T10-F14 HydrophobicContact CG2-CD2 4.39Å; T10-F14 HydrophobicContact CG2-CE2 4.17Å; T10-F14 WeakPolarHBondContact O-CB 3.43Å; T10-F14 WeakPolarHBondContact O-CD2 3.17Å; T10-F14 PolarHBondContact O-N 3.26Å |
| 11 | D | 42.8 | Very low | 41.4 | Very low | 121 Ų | 121 | 114 Ų | 114 | 65% | 0.647 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.3 | -33.8 | -178.4 | -68.5 | -19.3 | 0 | 0 | 0 | 113 | G7 S15 | G7-D11 PolarHBondContact O-N 2.84Å; D11-S15 VanDerWaalsContact O-CB 3.26Å; D11-S15 WeakPolarHBondContact O-CB 3.2Å; D11-S15 PolarHBondContact O-N 3.49Å; D11-S15 VanDerWaalsContact O-N 3.1Å; D11-S15 PolarHBondContact O-OG 2.83Å; D11-S15 VanDerWaalsContact O-OG 3.07Å |
| 12 | V | 43.1 | Very low | 41.4 | Very low | 98 Ų | 98 | 107 Ų | 107 | 59% | 0.594 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78 | -30.2 | 178.9 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | V8 T10 S15 | V8-V12 WeakPolarHBondContact O-CG2 3.5Å; T10-V12 PolarHBondContact O-N 3.36Å; V12-S15 PolarHBondContact O-OG 3.45Å |
| 13 | L | 36.9 | Very low | 40.9 | Very low | 107 Ų | 107 | 105.4 Ų | 105.4 | 56% | 0.56 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -86 | -31.5 | 177.6 | -75.1 | 166.3 | 0 | 0 | 0 | 113.1 | F9 T10 | F9-L13 WeakPolarHBondContact O-CB 3.35Å; F9-L13 PolarHBondContact O-N 3.34Å; T10-L13 PolarHBondContact O-N 2.87Å |
| 14 | F | 41.3 | Very low | 40.7 | Very low | 170 Ų | 170 | 101.8 Ų | 101.8 | 75% | 0.746 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -87.6 | -9.9 | 176 | -71 | -70.4 | 0 | 0 | 0 | 114 | T10 Q16 | T10-F14 HydrophobicContact CG2-CD2 4.39Å; T10-F14 HydrophobicContact CG2-CE2 4.17Å; T10-F14 WeakPolarHBondContact O-CB 3.43Å; T10-F14 WeakPolarHBondContact O-CD2 3.17Å; T10-F14 PolarHBondContact O-N 3.26Å; F14-Q16 PolarHBondContact O-N 3.5Å |
| 15 | S | 40.6 | Very low | 40.3 | Very low | 85 Ų | 85 | 100 Ų | 100 | 59% | 0.594 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 11.1 | 165.5 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | D11 V12 D17 | D11-S15 VanDerWaalsContact O-CB 3.26Å; D11-S15 WeakPolarHBondContact O-CB 3.2Å; D11-S15 PolarHBondContact O-N 3.49Å; D11-S15 VanDerWaalsContact O-N 3.1Å; D11-S15 PolarHBondContact O-OG 2.83Å; D11-S15 VanDerWaalsContact O-OG 3.07Å; V12-S15 PolarHBondContact O-OG 3.45Å; S15-D17 PolarHBondContact O-N 2.61Å |
| 16 | Q | 41.5 | Very low | 40.2 | Very low | 150 Ų | 150 | 100.8 Ų | 100.8 | 70% | 0.701 | 58% | 0.575 | S | S | * | * | trans | -68.1 | 65 | 155.9 | -67.4 | -169.3 | 9.7 | 0 | 0 | 110.2 | F14 A18 | F14-Q16 PolarHBondContact O-N 3.5Å; Q16-A18 PolarHBondContact O-N 2.88Å | ||
| 17 | D | 35.5 | Very low | 40.2 | Very low | 155 Ų | 155 | 97.6 Ų | 97.6 | 83% | 0.829 | 56% | 0.559 | S | S | * | * | trans | -63.7 | 87.9 | 148.8 | -89.4 | -27.5 | 0 | 0 | 0 | 106.8 | S15 S19 | S15-D17 PolarHBondContact O-N 2.61Å; D17-S19 PolarHBondContact O-N 2.8Å | ||
| 18 | A | 34.9 | Very low | 40.5 | Very low | 89 Ų | 89 | 103.8 Ų | 103.8 | 74% | 0.736 | 57% | 0.571 | S | S | * | * | trans | -62.2 | 95 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q16 | Q16-A18 PolarHBondContact O-N 2.88Š| ||
| 19 | S | 37 | Very low | 41.3 | Very low | 53 Ų | 53 | 102.3 Ų | 102.3 | 37% | 0.371 | 56% | 0.557 | S | S | . | * | trans | -166.1 | 96.1 | 148.3 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | D17 L21 S22 | D17-S19 PolarHBondContact O-N 2.8Å; S19-L21 PolarHBondContact O-N 2.98Å; S19-S22 PolarHBondContact O-N 3.22Å; S19-S22 PolarHBondContact O-OG 3.07Å | ||
| 20 | P | 37.6 | Very low | 42.4 | Very low | 125 Ų | 125 | 100.8 Ų | 100.8 | 81% | 0.812 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -15 | 158.3 | -19.4 | 31.1 | 0 | 0 | 0 | 112.7 | ||
| 21 | L | 36.7 | Very low | 43.8 | Very low | 145 Ų | 145 | 102.4 Ų | 102.4 | 76% | 0.759 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -18.5 | 174.6 | -70.4 | 165.9 | 0 | 0 | 0 | 114 | S19 C24 | S19-L21 PolarHBondContact O-N 2.98Å; L21-C24 WeakPolarHBondContact O-CB 3.3Å; L21-C24 PolarHBondContact O-N 2.87Å |
| 22 | S | 40.2 | Very low | 45.8 | Very low | 67 Ų | 67 | 98 Ų | 98 | 47% | 0.469 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -33.2 | 178 | 62.7 | 0 | 0 | 0 | 0 | 112.9 | S19 C24 G25 | S19-S22 PolarHBondContact O-N 3.22Å; S19-S22 PolarHBondContact O-OG 3.07Å; S22-C24 PolarHBondContact O-N 3.49Å; S22-G25 PolarHBondContact O-N 3.43Å; S22-G25 VanDerWaalsContact O-N 3.1Å |
| 23 | N | 35.3 | Very low | 48.1 | Very low | 75 Ų | 75 | 95.1 Ų | 95.1 | 40% | 0.401 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.5 | -19 | 176.1 | -81.4 | -23.1 | 0 | 0 | 0 | 113.5 | G25 K26 | N23-G25 PolarHBondContact O-N 3.46Å; N23-K26 PolarHBondContact O-N 3.45Å |
| 24 | C | 40.2 | Very low | 51 | Low | 82 Ų | 82 | 90.8 Ų | 90.8 | 55% | 0.554 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.9 | -16.5 | 172.8 | -154.2 | 0 | 0 | 0 | 0 | 112 | L21 S22 | L21-C24 WeakPolarHBondContact O-CB 3.3Å; L21-C24 PolarHBondContact O-N 2.87Å; S22-C24 PolarHBondContact O-N 3.49Å |
| 25 | G | 38 | Very low | 53.8 | Low | 23 Ų | 23 | 82.7 Ų | 82.7 | 24% | 0.237 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -79.7 | -42.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S22 N23 D27 R28 F29 | S22-G25 PolarHBondContact O-N 3.43Å; S22-G25 VanDerWaalsContact O-N 3.1Å; N23-G25 PolarHBondContact O-N 3.46Å; G25-D27 PolarHBondContact O-N 3.3Å; G25-R28 WeakPolarHBondContact O-CB 3.27Å; G25-R28 PolarHBondContact O-N 2.8Å; G25-R28 VanDerWaalsContact O-N 3.11Å; G25-F29 WeakPolarHBondContact O-CD2 3.33Å |
| 26 | K | 41.2 | Very low | 56.5 | Low | 126 Ų | 126 | 78.7 Ų | 78.7 | 55% | 0.548 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | -175.3 | -70.6 | -173.2 | 176.2 | -179.5 | 0 | 113.6 | N23 R28 F29 E30 | N23-K26 PolarHBondContact O-N 3.45Å; K26-R28 PolarHBondContact O-N 3.49Å; K26-F29 PolarHBondContact O-N 2.82Å; K26-E30 WeakPolarHBondContact O-CG 3.38Å; K26-E30 PolarHBondContact O-N 3.42Å |
| 27 | D | 48 | Very low | 59.3 | Low | 54 Ų | 54 | 71.5 Ų | 71.5 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.3 | -23.1 | 177 | -163.1 | 14.7 | 0 | 0 | 0 | 112.6 | G25 N31 | G25-D27 PolarHBondContact O-N 3.3Å; D27-N31 PolarHBondContact O-ND2 2.75Å; D27-N31 PolarHBondContact OD1-ND2 3.05Å |
| 28 | R | 49.8 | Very low | 62.3 | Low | 165 Ų | 165 | 64.1 Ų | 64.1 | 62% | 0.623 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -76.4 | -23.9 | 173.6 | -68.3 | -165.6 | -101.3 | -177.5 | -3.8 | 113.3 | G25 K26 R32 | G25-R28 WeakPolarHBondContact O-CB 3.27Å; G25-R28 PolarHBondContact O-N 2.8Å; G25-R28 VanDerWaalsContact O-N 3.11Å; K26-R28 PolarHBondContact O-N 3.49Å; R28-R32 PolarHBondContact O-NE 2.92Å; R28-R32 PolarHBondContact O-NH2 2.83Å |
| 29 | F | 61.4 | Low | 65.3 | Low | 59 Ų | 59 | 59.9 Ų | 59.9 | 26% | 0.259 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -90.8 | -40.2 | 174.5 | -66.1 | -80.1 | 0 | 0 | 0 | 111.4 | G25 K26 N31 R32 F142 P189 | G25-F29 WeakPolarHBondContact O-CD2 3.33Å; K26-F29 PolarHBondContact O-N 2.82Å; F29-N31 PolarHBondContact O-N 3.49Å; F29-N31 VanDerWaalsContact O-N 3.14Å; F29-R32 VanDerWaalsContact CG-NH2 3.34Å; F29-R32 PolarHBondContact O-N 3.45Å; F29-F142 HydrophobicContact CE1-CE2 4.16Å; F29-P189 HydrophobicContact CD1-CG 3.22Å; F29-P189 VanDerWaalsContact CE1-CD 3.49Å; F29-P189 HydrophobicContact CE1-CG 3.32Å; F29-P189 HydrophobicContact CG-CG 4Å; F29-P189 HydrophobicContact CZ-CG 4.1Å |
| 30 | E | 63.8 | Low | 68.3 | Low | 108 Ų | 108 | 57.4 Ų | 57.4 | 51% | 0.505 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.9 | -16.3 | -173.9 | -78.6 | -179.4 | -167 | 0 | 0 | 115.5 | K26 R240 | K26-E30 WeakPolarHBondContact O-CG 3.38Å; K26-E30 PolarHBondContact O-N 3.42Å; E30-R240 PolarHBondContact O-NH2 3.38Å |
| 31 | N | 75 | Confident | 71.2 | Confident | 93 Ų | 93 | 51.5 Ų | 51.5 | 50% | 0.497 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 2.4 | -179.6 | -68.7 | -56 | 0 | 0 | 0 | 114.2 | D27 F29 | D27-N31 PolarHBondContact O-ND2 2.75Å; D27-N31 PolarHBondContact OD1-ND2 3.05Å; F29-N31 PolarHBondContact O-N 3.49Å; F29-N31 VanDerWaalsContact O-N 3.14Å |
| 32 | R | 83.9 | Confident | 74.1 | Confident | 29 Ų | 29 | 44.6 Ų | 44.6 | 11% | 0.109 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -83.1 | 143.1 | -179.3 | -84.2 | 177.6 | -91.2 | 155 | -24.1 | 112 | R28 F29 L34 T140 | R28-R32 PolarHBondContact O-NE 2.92Å; R28-R32 PolarHBondContact O-NH2 2.83Å; F29-R32 VanDerWaalsContact CG-NH2 3.34Å; F29-R32 PolarHBondContact O-N 3.45Å; R32-L34 PolarHBondContact O-N 2.83Å; R32-T140 PolarHBondContact NH1-O 3.33Å; R32-T140 VanDerWaalsContact NH2-CB 3.26Å; R32-T140 PolarHBondContact NH2-O 2.84Å; R32-T140 PolarHBondContact NH2-OG1 3.35Å; R32-T140 VanDerWaalsContact NH2-OG1 3.15Å |
| 33 | P | 91.9 | Very high | 76.9 | Confident | 38 Ų | 38 | 41.4 Ų | 41.4 | 25% | 0.247 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 133.2 | 168 | 28.1 | -33.6 | 0 | 0 | 0 | 109.1 | I395 L396 | P33-I395 WeakPolarHBondContact CB-O 3.33Å; P33-I395 VanDerWaalsContact CG-O 3.22Å; P33-I395 WeakPolarHBondContact CG-O 3.38Å; P33-L396 HydrophobicContact CB-CD2 4.37Å; P33-L396 HydrophobicContact CG-CD2 4.28Å |
| 34 | L | 97.8 | Very high | 80 | Confident | 16 Ų | 16 | 38.5 Ų | 38.5 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 134.4 | 172.1 | -55.5 | -179.8 | 0 | 0 | 0 | 108.3 | R32 F183 N191 L237 M241 N242 | R32-L34 PolarHBondContact O-N 2.83Å; L34-F183 HydrophobicContact CB-CE1 4.31Å; L34-F183 HydrophobicContact CD2-CD1 4.39Å; L34-F183 HydrophobicContact CD2-CE1 4.33Å; L34-N191 WeakPolarHBondContact CA-O 3.44Å; L34-N191 HydrophobicContact CD2-CB 4Å; L34-L237 HydrophobicContact CD1-CD2 3.96Å; L34-M241 HydrophobicContact CB-CE 4.29Å; L34-M241 HydrophobicContact CB-SD 3.52Å; L34-M241 VanDerWaalsContact CB-SD 3.52Å; L34-M241 HydrophobicContact CD1-CE 4.4Å; L34-N242 WeakPolarHBondContact O-CB 3.34Å; L34-N242 PolarHBondContact O-N 2.88Å; L34-N242 PolarHBondContact O-ND2 2.82Å; L34-N242 VanDerWaalsContact O-ND2 3.15Å |
| 35 | L | 98.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.2 | 174.9 | -169.9 | 144.4 | 0 | 0 | 0 | 111.3 | L37 N191 F192 G193 N242 I244 I392 I395 L396 | L35-L37 HydrophobicContact CD2-CB 4.31Å; L35-N191 PolarHBondContact N-O 2.98Å; L35-F192 HydrophobicContact CB-CD2 4.37Å; L35-F192 HydrophobicContact CD2-CD2 3.68Å; L35-F192 HydrophobicContact CD2-CE2 3.54Å; L35-F192 CarbonylContact O-C 3.54Å; L35-F192 VanDerWaalsContact O-CA 3.31Å; L35-F192 WeakPolarHBondContact O-CA 3.27Å; L35-G193 PolarHBondContact O-N 3.39Å; L35-N242 CarbonylContact C-O 3.46Å; L35-N242 VanDerWaalsContact CA-O 3.23Å; L35-N242 WeakPolarHBondContact CA-O 3.37Å; L35-N242 HydrophobicContact CD1-CB 4.34Å; L35-N242 HydrophobicContact CG-CB 4.38Å; L35-I244 HydrophobicContact CD1-CD1 4.17Å; L35-I392 HydrophobicContact CD1-CB 4.37Å; L35-I392 HydrophobicContact CD1-CG1 3.94Å; L35-I392 HydrophobicContact CD1-CG2 4.2Å; L35-I392 HydrophobicContact CD2-CD1 4.2Å; L35-I392 HydrophobicContact CD2-CG1 3.99Å; L35-I392 HydrophobicContact CD2-CG2 4.16Å; L35-I395 HydrophobicContact CD1-CB 4.02Å; L35-I395 HydrophobicContact CD1-CD1 3.9Å; L35-I395 HydrophobicContact CD1-CG2 3.82Å; L35-L396 HydrophobicContact CB-CD1 4.44Å; L35-L396 HydrophobicContact CB-CD2 3.7Å; L35-L396 HydrophobicContact CB-CG 4.12Å |
| 36 | L | 98.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.4 | 169.6 | 176.3 | 60 | 0 | 0 | 0 | 109 | V38 I179 F183 G193 L195 L228 M241 N242 I243 I244 | L36-V38 HydrophobicContact CD1-CG2 4.43Å; L36-V38 HydrophobicContact CD2-CG2 4.01Å; L36-V38 HydrophobicContact CG-CG2 3.8Å; L36-I179 HydrophobicContact CD1-CD1 4.31Å; L36-I179 HydrophobicContact CD1-CG2 3.8Å; L36-I179 HydrophobicContact CD2-CG2 4.12Å; L36-F183 HydrophobicContact CB-CE2 4.41Å; L36-F183 HydrophobicContact CB-CZ 4.39Å; L36-F183 HydrophobicContact CD1-CE2 4.42Å; L36-G193 WeakPolarHBondContact CA-O 3.24Å; L36-L195 HydrophobicContact CD1-CB 4.32Å; L36-L228 HydrophobicContact CD2-CD1 3.87Å; L36-L228 HydrophobicContact CD2-CD2 3.91Å; L36-L228 HydrophobicContact CD2-CG 4.41Å; L36-M241 HydrophobicContact CB-CG 4.46Å; L36-M241 HydrophobicContact CB-SD 4.16Å; L36-N242 PolarHBondContact N-O 2.63Å; L36-I243 HydrophobicContact CB-CG2 4.36Å; L36-I243 HydrophobicContact CD2-CG2 4.49Å; L36-I243 HydrophobicContact CG-CG2 4.46Å; L36-I243 VanDerWaalsContact O-CA 3.32Å; L36-I243 WeakPolarHBondContact O-CA 3.25Å; L36-I244 PolarHBondContact O-N 2.92Å |
| 37 | L | 98.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 121.1 | 170.9 | -179.9 | 62.8 | 0 | 0 | 0 | 108.8 | L35 I86 W148 F192 G193 L194 L195 I244 T246 V388 I392 | L35-L37 HydrophobicContact CD2-CB 4.31Å; L37-I86 HydrophobicContact CD2-CG2 3.79Å; L37-W148 HydrophobicContact CD1-CH2 4.44Å; L37-W148 HydrophobicContact CD2-CH2 3.41Å; L37-W148 VanDerWaalsContact CD2-CH2 3.41Å; L37-W148 HydrophobicContact CD2-CZ2 3.77Å; L37-W148 HydrophobicContact CD2-CZ3 4.07Å; L37-W148 HydrophobicContact CG-CH2 3.57Å; L37-W148 HydrophobicContact CG-CZ2 4.43Å; L37-W148 HydrophobicContact CG-CZ3 3.88Å; L37-F192 HydrophobicContact CB-CE2 4.35Å; L37-G193 PolarHBondContact N-O 3.06Å; L37-L194 HydrophobicContact CB-CD2 4.05Å; L37-L194 HydrophobicContact CD2-CD2 3.71Å; L37-L194 HydrophobicContact CG-CD2 4.24Å; L37-L194 CarbonylContact O-C 3.51Å; L37-L194 WeakPolarHBondContact O-CA 3.33Å; L37-L195 PolarHBondContact O-N 2.77Å; L37-I244 HydrophobicContact CD1-CB 3.74Å; L37-I244 HydrophobicContact CD1-CG2 3.61Å; L37-T246 HydrophobicContact CD1-CG2 3.89Å; L37-V388 HydrophobicContact CD1-CG1 4.46Å; L37-I392 HydrophobicContact CD2-CD1 3.94Å |
| 38 | V | 98.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.7 | -179.7 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | L36 Y40 L195 L228 I243 I244 F245 T246 | L36-V38 HydrophobicContact CD1-CG2 4.43Å; L36-V38 HydrophobicContact CD2-CG2 4.01Å; L36-V38 HydrophobicContact CG-CG2 3.8Å; V38-Y40 HydrophobicContact CG1-CD1 4.04Å; V38-Y40 HydrophobicContact CG1-CE1 3.48Å; V38-Y40 VanDerWaalsContact CG1-CE1 3.48Å; V38-L195 CarbonylContact C-O 3.57Å; V38-L195 WeakPolarHBondContact CA-O 3.29Å; V38-L195 HydrophobicContact CG1-CD2 4.16Å; V38-L195 HydrophobicContact CG1-CG 4.38Å; V38-L195 HydrophobicContact CG2-CB 4.38Å; V38-L195 HydrophobicContact CG2-CD2 4.37Å; V38-L228 HydrophobicContact CG2-CD2 4.02Å; V38-I243 HydrophobicContact CG2-CG2 4.16Å; V38-I244 PolarHBondContact N-O 2.8Å; V38-F245 HydrophobicContact CB-CD1 3.7Å; V38-F245 HydrophobicContact CB-CE1 4Å; V38-F245 HydrophobicContact CB-CG 4.44Å; V38-F245 HydrophobicContact CG1-CD1 3.87Å; V38-F245 HydrophobicContact CG1-CE1 4.07Å; V38-F245 HydrophobicContact CG2-CD1 4.09Å; V38-F245 HydrophobicContact CG2-CE1 3.92Å; V38-F245 WeakPolarHBondContact O-CA 3.39Å; V38-T246 PolarHBondContact O-N 2.98Å |
| 39 | S | 98.8 | Very high | 93 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.6 | 171.4 | -165.4 | 0 | 0 | 0 | 0 | 111.3 | H83 W148 L195 I197 T246 | S39-H83 VanDerWaalsContact CB-NE2 3.33Å; S39-H83 WeakPolarHBondContact CB-NE2 3.28Å; S39-H83 PolarHBondContact OG-NE2 2.87Å; S39-W148 VanDerWaalsContact CB-CZ3 3.43Å; S39-L195 PolarHBondContact N-O 2.67Å; S39-I197 PolarHBondContact O-N 3.29Å; S39-T246 VanDerWaalsContact CA-O 3.27Å; S39-T246 WeakPolarHBondContact CA-O 3.41Å |
| 40 | Y | 98.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 104.6 | 167.6 | -62.8 | -24.6 | 0 | 0 | 0 | 106.8 | V38 F43 F57 I197 E199 L221 L224 T225 F245 T246 S247 Y366 | V38-Y40 HydrophobicContact CG1-CD1 4.04Å; V38-Y40 HydrophobicContact CG1-CE1 3.48Å; V38-Y40 VanDerWaalsContact CG1-CE1 3.48Å; Y40-F43 AromaticContact CD2-CD2 3.95Å; Y40-F43 HydrophobicContact CD2-CD2 3.95Å; Y40-F43 HydrophobicContact CD2-CE2 4.19Å; Y40-F43 HydrophobicContact CG-CD2 4.36Å; Y40-F43 WeakPolarHBondContact O-CB 3.44Å; Y40-F43 PolarHBondContact O-N 2.82Å; Y40-F57 HydrophobicContact CD2-CZ 4.01Å; Y40-F57 HydrophobicContact CE2-CE1 4.11Å; Y40-F57 AromaticContact CE2-CZ 3.7Å; Y40-F57 HydrophobicContact CE2-CZ 3.7Å; Y40-I197 HydrophobicContact CD1-CB 3.83Å; Y40-I197 HydrophobicContact CD1-CG1 3.82Å; Y40-I197 HydrophobicContact CE1-CB 4.25Å; Y40-I197 HydrophobicContact CE1-CG1 3.73Å; Y40-E199 CarbonylContact C-O 3.57Å; Y40-E199 WeakPolarHBondContact CB-O 3.46Å; Y40-L221 HydrophobicContact CD1-CD2 3.98Å; Y40-L221 HydrophobicContact CD2-CB 4.2Å; Y40-L221 HydrophobicContact CD2-CD1 4.32Å; Y40-L221 HydrophobicContact CD2-CD2 4.31Å; Y40-L221 HydrophobicContact CE1-CD2 4.16Å; Y40-L221 HydrophobicContact CE2-CB 4.17Å; Y40-L221 HydrophobicContact CE2-CD2 4.5Å; Y40-L221 HydrophobicContact CG-CD1 4.29Å; Y40-L221 HydrophobicContact CG-CD2 4.05Å; Y40-L224 HydrophobicContact CE1-CD2 4.07Å; Y40-T225 PolarHBondContact OH-OG1 3.46Å; Y40-F245 HydrophobicContact CE2-CD1 4.44Å; Y40-T246 PolarHBondContact N-O 3.43Å; Y40-S247 WeakPolarHBondContact O-CB 3.42Å; Y40-S247 PolarHBondContact O-OG 3.33Å; Y40-Y366 WeakPolarHBondContact CD2-OH 3.32Å |
| 41 | D | 98.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 132.6 | -169.6 | -163.6 | -35.1 | 0 | 0 | 0 | 111.8 | F43 T79 H83 Y196 I197 E199 P200 D201 H249 | D41-F43 PolarHBondContact O-N 3.43Å; D41-T79 WeakPolarHBondContact OD2-CG2 3.49Å; D41-H83 IonicContact OD2-CE1 3.6Å; D41-Y196 HydrophobicContact CB-CE2 3.79Å; D41-Y196 WeakPolarHBondContact OD2-CE2 3.31Å; D41-Y196 PolarHBondContact OD2-OH 3.36Å; D41-I197 WeakPolarHBondContact CB-O 3.41Å; D41-I197 PolarHBondContact N-O 3.22Å; D41-E199 PolarHBondContact N-O 2.75Å; D41-E199 CarbonylContact O-C 3.46Å; D41-E199 VanDerWaalsContact O-C 3.23Å; D41-P200 WeakPolarHBondContact O-CD 3.36Å; D41-P200 VanDerWaalsContact O-N 3.08Å; D41-D201 HydrophobicContact CB-CB 3.99Å; D41-D201 WeakPolarHBondContact O-CB 3.48Å; D41-D201 PolarHBondContact O-N 3.49Å; D41-D201 WeakPolarHBondContact OD1-CB 3.49Å; D41-H249 IonicContact OD1-CE1 3.58Å; D41-H249 IonicContact OD1-NE2 2.99Å; D41-H249 PolarHBondContact OD1-NE2 3.4Å |
| 42 | G | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 14.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R44 S247 D248 H249 | G42-R44 PolarHBondContact O-N 3.03Å; G42-S247 PolarHBondContact N-OG 3.36Å; G42-S247 VanDerWaalsContact N-OG 3.12Å; G42-D248 PolarHBondContact N-OD1 2.96Å; G42-H249 CarbonylContact C-O 3.51Å; G42-H249 VanDerWaalsContact C-O 3.29Å; G42-H249 VanDerWaalsContact CA-O 3.31Å; G42-H249 WeakPolarHBondContact CA-O 3.36Å |
| 43 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -73.2 | 91.4 | 177.5 | -161 | -52.2 | 0 | 0 | 0 | 110.3 | Y40 D41 Y47 L48 F57 P200 V218 L221 S247 Y366 | Y40-F43 AromaticContact CD2-CD2 3.95Å; Y40-F43 HydrophobicContact CD2-CD2 3.95Å; Y40-F43 HydrophobicContact CD2-CE2 4.19Å; Y40-F43 HydrophobicContact CG-CD2 4.36Å; Y40-F43 WeakPolarHBondContact O-CB 3.44Å; Y40-F43 PolarHBondContact O-N 2.82Å; D41-F43 PolarHBondContact O-N 3.43Å; F43-Y47 HydrophobicContact CD1-CD2 4.1Å; F43-Y47 HydrophobicContact CD1-CG 4.38Å; F43-Y47 HydrophobicContact CE1-CD2 4.48Å; F43-Y47 HydrophobicContact CE1-CG 4.44Å; F43-Y47 HydrophobicContact CG-CD2 4.38Å; F43-L48 HydrophobicContact CE1-CD2 3.98Å; F43-L48 HydrophobicContact CE1-CG 4.01Å; F43-L48 HydrophobicContact CZ-CD2 4.06Å; F43-F57 AromaticContact CE2-CE2 3.93Å; F43-F57 HydrophobicContact CE2-CE2 3.93Å; F43-F57 AromaticContact CE2-CZ 3.76Å; F43-F57 HydrophobicContact CE2-CZ 3.76Å; F43-F57 AromaticContact CZ-CE2 3.94Å; F43-F57 HydrophobicContact CZ-CE2 3.94Å; F43-F57 HydrophobicContact CZ-CZ 4Å; F43-P200 HydrophobicContact CB-CG 4.13Å; F43-P200 HydrophobicContact CD2-CG 4.4Å; F43-P200 HydrophobicContact CG-CG 4.38Å; F43-V218 HydrophobicContact CE2-CG1 4.01Å; F43-V218 HydrophobicContact CE2-CG2 4.31Å; F43-V218 HydrophobicContact CZ-CG1 3.67Å; F43-V218 HydrophobicContact CZ-CG2 4.37Å; F43-L221 HydrophobicContact CD2-CD1 3.86Å; F43-L221 HydrophobicContact CE2-CD1 4.03Å; F43-S247 PolarHBondContact N-OG 3.47Å; F43-Y366 HydrophobicContact CB-CD1 3.56Å; F43-Y366 HydrophobicContact CB-CE1 3.58Å; F43-Y366 AromaticContact CD1-CD1 3.51Å; F43-Y366 HydrophobicContact CD1-CD1 3.51Å; F43-Y366 HydrophobicContact CD1-CD2 4.41Å; F43-Y366 HydrophobicContact CD1-CE1 4.01Å; F43-Y366 AromaticContact CD1-CG 3.73Å; F43-Y366 HydrophobicContact CD1-CG 3.73Å; F43-Y366 HydrophobicContact CD2-CD1 4.45Å; F43-Y366 HydrophobicContact CD2-CE1 4.13Å; F43-Y366 HydrophobicContact CE1-CD1 4.32Å; F43-Y366 HydrophobicContact CE1-CD2 4.46Å; F43-Y366 HydrophobicContact CE1-CG 4.15Å; F43-Y366 AromaticContact CG-CD1 3.6Å; F43-Y366 HydrophobicContact CG-CD1 3.6Å; F43-Y366 AromaticContact CG-CE1 3.65Å; F43-Y366 HydrophobicContact CG-CE1 3.65Å; F43-Y366 HydrophobicContact CG-CG 4.25Å; F43-Y366 WeakPolarHBondContact O-CD1 3.44Å; F43-Y366 PolarHBondContact O-N 3Å | ||
| 44 | R | 98.7 | Very high | 98.2 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 5% | 0.053 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -61.9 | 141.6 | 176.3 | -162.7 | 171.6 | 71.3 | 176.2 | 9.8 | 111.5 | G42 D46 Y47 D210 M251 D362 Q364 | G42-R44 PolarHBondContact O-N 3.03Å; R44-D46 VanDerWaalsContact CG-OD1 3.26Å; R44-D46 WeakPolarHBondContact CG-OD1 3.49Å; R44-D46 IonicContact CZ-OD1 3.21Å; R44-D46 IonicContact CZ-OD2 2.67Å; R44-D46 IonicContact NE-OD1 3.95Å; R44-D46 PolarHBondContact NE-OD1 2.84Å; R44-D46 IonicContact NE-OD2 3.61Å; R44-D46 PolarHBondContact NE-OD2 3.43Å; R44-D46 IonicContact NH2-OD1 3.54Å; R44-D46 IonicContact NH2-OD2 3.34Å; R44-D46 PolarHBondContact NH2-OD2 2.77Å; R44-D46 PolarHBondContact O-N 2.81Å; R44-Y47 HydrophobicContact CB-CD1 3.88Å; R44-Y47 HydrophobicContact CB-CD2 4.16Å; R44-Y47 HydrophobicContact CB-CE1 3.73Å; R44-Y47 HydrophobicContact CB-CE2 3.97Å; R44-Y47 HydrophobicContact CB-CG 4.14Å; R44-Y47 VanDerWaalsContact O-CB 3.24Å; R44-Y47 WeakPolarHBondContact O-CB 3.4Å; R44-Y47 PolarHBondContact O-N 3.37Å; R44-D210 IonicContact NH2-OD1 2.77Å; R44-M251 PolarHBondContact NH1-O 2.97Å; R44-D362 WeakPolarHBondContact CD-O 3.46Å; R44-D362 IonicContact NH1-OD1 3.76Å; R44-D362 PolarHBondContact NH1-OD1 3.46Å; R44-Q364 WeakPolarHBondContact CA-O 3.46Å |
| 45 | W | 98.5 | Very high | 98.2 | Very high | 43 Ų | 43 | 37.2 Ų | 37.2 | 16% | 0.163 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -52.4 | -33.8 | -172.9 | 69.2 | -84.4 | 0 | 0 | 0 | 115.7 | Y47 A68 P361 Q364 | W45-Y47 VanDerWaalsContact C-N 3.33Å; W45-A68 VanDerWaalsContact CE3-O 3.28Å; W45-A68 WeakPolarHBondContact CZ3-O 3.42Å; W45-P361 PolarHBondContact NE1-O 3.4Å; W45-Q364 HydrophobicContact CG-CB 4.44Å; W45-Q364 PolarHBondContact N-O 3.02Å |
| 46 | D | 98.3 | Very high | 98.2 | Very high | 35 Ų | 35 | 37.8 Ų | 37.8 | 19% | 0.187 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -80.8 | -12.4 | -177.7 | 68.7 | -36.2 | 0 | 0 | 0 | 113.1 | R44 L48 R49 | R44-D46 VanDerWaalsContact CG-OD1 3.26Å; R44-D46 WeakPolarHBondContact CG-OD1 3.49Å; R44-D46 IonicContact CZ-OD1 3.21Å; R44-D46 IonicContact CZ-OD2 2.67Å; R44-D46 IonicContact NE-OD1 3.95Å; R44-D46 PolarHBondContact NE-OD1 2.84Å; R44-D46 IonicContact NE-OD2 3.61Å; R44-D46 PolarHBondContact NE-OD2 3.43Å; R44-D46 IonicContact NH2-OD1 3.54Å; R44-D46 IonicContact NH2-OD2 3.34Å; R44-D46 PolarHBondContact NH2-OD2 2.77Å; R44-D46 PolarHBondContact O-N 2.81Å; D46-L48 PolarHBondContact O-N 2.84Å; D46-L48 VanDerWaalsContact O-N 3.16Å; D46-R49 WeakPolarHBondContact O-CB 3.26Å; D46-R49 PolarHBondContact O-N 3.29Å |
| 47 | Y | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -61.8 | -24.8 | 177.3 | -70.1 | 2.5 | 0 | 0 | 0 | 112.2 | F43 R44 W45 R49 K50 P200 P209 I214 V218 | F43-Y47 HydrophobicContact CD1-CD2 4.1Å; F43-Y47 HydrophobicContact CD1-CG 4.38Å; F43-Y47 HydrophobicContact CE1-CD2 4.48Å; F43-Y47 HydrophobicContact CE1-CG 4.44Å; F43-Y47 HydrophobicContact CG-CD2 4.38Å; R44-Y47 HydrophobicContact CB-CD1 3.88Å; R44-Y47 HydrophobicContact CB-CD2 4.16Å; R44-Y47 HydrophobicContact CB-CE1 3.73Å; R44-Y47 HydrophobicContact CB-CE2 3.97Å; R44-Y47 HydrophobicContact CB-CG 4.14Å; R44-Y47 VanDerWaalsContact O-CB 3.24Å; R44-Y47 WeakPolarHBondContact O-CB 3.4Å; R44-Y47 PolarHBondContact O-N 3.37Å; W45-Y47 VanDerWaalsContact C-N 3.33Å; Y47-R49 PolarHBondContact O-N 2.86Å; Y47-K50 HydrophobicContact CD1-CD 3.81Å; Y47-K50 HydrophobicContact CE1-CD 4.36Å; Y47-K50 HydrophobicContact CG-CD 4.15Å; Y47-K50 WeakPolarHBondContact O-CB 3.22Å; Y47-K50 PolarHBondContact O-N 3.49Å; Y47-P200 HydrophobicContact CD2-CG 3.74Å; Y47-P200 HydrophobicContact CE2-CB 4.24Å; Y47-P200 HydrophobicContact CE2-CG 3.57Å; Y47-P209 HydrophobicContact CE1-CB 4.23Å; Y47-P209 VanDerWaalsContact OH-CA 3.31Å; Y47-P209 WeakPolarHBondContact OH-CA 3.3Å; Y47-P209 WeakPolarHBondContact OH-CB 3.35Å; Y47-I214 HydrophobicContact CD1-CG2 4.44Å; Y47-I214 HydrophobicContact CD2-CG2 4.14Å; Y47-I214 HydrophobicContact CE1-CG2 4.09Å; Y47-I214 HydrophobicContact CE2-CG2 3.81Å; Y47-I214 HydrophobicContact CG-CG2 4.43Å; Y47-V218 HydrophobicContact CD2-CG2 4.02Å; Y47-V218 HydrophobicContact CG-CG2 4.28Å |
| 48 | L | 98.3 | Very high | 98.2 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 7% | 0.073 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -58.8 | -11.3 | 169.9 | -66.1 | 173.3 | 0 | 0 | 0 | 113.8 | F43 D46 F57 I61 H66 Y366 I368 | F43-L48 HydrophobicContact CE1-CD2 3.98Å; F43-L48 HydrophobicContact CE1-CG 4.01Å; F43-L48 HydrophobicContact CZ-CD2 4.06Å; D46-L48 PolarHBondContact O-N 2.84Å; D46-L48 VanDerWaalsContact O-N 3.16Å; L48-F57 HydrophobicContact CD2-CB 3.91Å; L48-F57 HydrophobicContact CD2-CD1 3.92Å; L48-F57 HydrophobicContact CD2-CD2 4.26Å; L48-F57 HydrophobicContact CD2-CE1 4.49Å; L48-F57 HydrophobicContact CD2-CG 3.79Å; L48-I61 HydrophobicContact CD1-CD1 4.24Å; L48-H66 WeakPolarHBondContact CD1-CE1 3.37Å; L48-Y366 HydrophobicContact CD1-CD2 4.21Å; L48-Y366 HydrophobicContact CD2-CD2 4.2Å; L48-Y366 HydrophobicContact CG-CD2 4.45Å; L48-I368 HydrophobicContact CD1-CD1 4.01Å; L48-I368 HydrophobicContact CD1-CG1 4.35Å; L48-I368 HydrophobicContact CD2-CD1 3.81Å |
| 49 | R | 97.1 | Very high | 98.1 | Very high | 158 Ų | 158 | 50.3 Ų | 50.3 | 60% | 0.596 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -111.3 | -1.3 | -179.8 | -54.8 | 176.3 | -176.2 | 172.5 | 2.2 | 113.3 | D46 Y47 S51 A68 | D46-R49 WeakPolarHBondContact O-CB 3.26Å; D46-R49 PolarHBondContact O-N 3.29Å; Y47-R49 PolarHBondContact O-N 2.86Å; R49-S51 VanDerWaalsContact C-N 3.27Å; R49-S51 PolarHBondContact O-N 2.79Å; R49-A68 PolarHBondContact NH2-O 3.35Å; R49-A68 VanDerWaalsContact NH2-O 3.14Å |
| 50 | K | 95.6 | Very high | 98.1 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 21% | 0.209 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -70.3 | -19.8 | -175.3 | -81 | -176.4 | -179.1 | -73.4 | 0 | 114.2 | Y47 P209 I214 T215 | Y47-K50 HydrophobicContact CD1-CD 3.81Å; Y47-K50 HydrophobicContact CE1-CD 4.36Å; Y47-K50 HydrophobicContact CG-CD 4.15Å; Y47-K50 WeakPolarHBondContact O-CB 3.22Å; Y47-K50 PolarHBondContact O-N 3.49Å; K50-P209 VanDerWaalsContact CE-O 3.25Å; K50-P209 WeakPolarHBondContact CE-O 3.38Å; K50-P209 PolarHBondContact NZ-O 3.5Å; K50-I214 HydrophobicContact CD-CB 4.49Å; K50-I214 HydrophobicContact CD-CG2 3.84Å; K50-T215 HydrophobicContact CB-CG2 4.23Å; K50-T215 WeakPolarHBondContact O-CG2 3.15Å |
| 51 | S | 97.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 52.4 Ų | 52.4 | 12% | 0.119 | 22% | 0.218 | C | C | . | . | trans | -149.5 | 141.8 | -179.4 | 179.4 | 0 | 0 | 0 | 0 | 112.7 | R49 R53 L54 E219 | R49-S51 VanDerWaalsContact C-N 3.27Å; R49-S51 PolarHBondContact O-N 2.79Å; S51-R53 PolarHBondContact O-N 2.9Å; S51-R53 WeakPolarHBondContact OG-CB 3.3Å; S51-R53 PolarHBondContact OG-N 3.38Å; S51-L54 WeakPolarHBondContact O-CG 3.22Å; S51-E219 VanDerWaalsContact CB-OE1 3.32Å; S51-E219 WeakPolarHBondContact CB-OE1 3.25Å; S51-E219 PolarHBondContact OG-OE1 3.3Å | ||
| 52 | E | 95.6 | Very high | 98 | Very high | 135 Ų | 135 | 59.3 Ų | 59.3 | 63% | 0.631 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -12.6 | 169.4 | -66.5 | -61.4 | 147.5 | 0 | 0 | 112.5 | L54 R58 | E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.38Å; E52-R58 IonicContact OE1-NH1 2.62Å; E52-R58 IonicContact OE2-CZ 3.55Å; E52-R58 IonicContact OE2-NH1 3.99Å; E52-R58 PolarHBondContact OE2-NH1 3.42Å; E52-R58 IonicContact OE2-NH2 3.42Å |
| 53 | R | 97.7 | Very high | 98 | Very high | 150 Ų | 150 | 62.8 Ų | 62.8 | 57% | 0.566 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 5.8 | -179.9 | -59.9 | -172.8 | -69.5 | 178 | -2.7 | 113.9 | S51 Y55 E219 | S51-R53 PolarHBondContact O-N 2.9Å; S51-R53 WeakPolarHBondContact OG-CB 3.3Å; S51-R53 PolarHBondContact OG-N 3.38Å; R53-Y55 HydrophobicContact CB-CE2 4.3Å; R53-Y55 VanDerWaalsContact O-CD2 3.26Å; R53-Y55 WeakPolarHBondContact O-CD2 3.29Å; R53-Y55 PolarHBondContact O-N 3.46Å; R53-E219 IonicContact CZ-OE1 3.37Å; R53-E219 IonicContact CZ-OE2 3.8Å; R53-E219 IonicContact NE-OE1 3.81Å; R53-E219 PolarHBondContact NE-OE1 3.47Å; R53-E219 IonicContact NE-OE2 3.83Å; R53-E219 IonicContact NH2-OE1 3.78Å; R53-E219 PolarHBondContact NH2-OE1 3.25Å; R53-E219 IonicContact NH2-OE2 3.5Å; R53-E219 PolarHBondContact NH2-OE2 2.92Å |
| 54 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -78.4 | 62.7 | 176.1 | -55.7 | -178.4 | 0 | 0 | 0 | 110.9 | S51 E52 S56 F57 R58 V218 E219 D222 | S51-L54 WeakPolarHBondContact O-CG 3.22Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.38Å; L54-S56 PolarHBondContact O-N 2.94Å; L54-F57 HydrophobicContact CB-CB 4.31Å; L54-F57 HydrophobicContact CB-CD2 4.26Å; L54-F57 HydrophobicContact CD2-CD2 4.45Å; L54-R58 VanDerWaalsContact O-CB 3.28Å; L54-R58 WeakPolarHBondContact O-CB 3.48Å; L54-R58 WeakPolarHBondContact O-CD 3.18Å; L54-R58 WeakPolarHBondContact O-CG 3.34Å; L54-R58 PolarHBondContact O-N 3.31Å; L54-V218 HydrophobicContact CD1-CG1 3.87Å; L54-V218 HydrophobicContact CD2-CG1 3.81Å; L54-E219 HydrophobicContact CD2-CB 4.41Å; L54-E219 HydrophobicContact CD2-CG 3.86Å; L54-D222 WeakPolarHBondContact CA-OD1 3.36Å; L54-D222 HydrophobicContact CD2-CB 3.91Å | ||
| 55 | Y | 98.4 | Very high | 98 | Very high | 164 Ų | 164 | 62.1 Ų | 62.1 | 64% | 0.643 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.5 | -40.8 | -171.1 | -61.3 | -65 | 0 | 0 | 0 | 112.4 | R53 Y59 D222 | R53-Y55 HydrophobicContact CB-CE2 4.3Å; R53-Y55 VanDerWaalsContact O-CD2 3.26Å; R53-Y55 WeakPolarHBondContact O-CD2 3.29Å; R53-Y55 PolarHBondContact O-N 3.46Å; Y55-Y59 WeakPolarHBondContact O-CB 3.35Å; Y55-Y59 PolarHBondContact O-N 2.9Å; Y55-D222 PolarHBondContact N-OD1 3.37Å; Y55-D222 PolarHBondContact N-OD2 2.86Å |
| 56 | S | 98.7 | Very high | 98 | Very high | 11 Ų | 11 | 60.8 Ų | 60.8 | 8% | 0.077 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.3 | -48.5 | -177.6 | -47.2 | 0 | 0 | 0 | 0 | 110.4 | L54 R58 Y59 L60 D222 S226 | L54-S56 PolarHBondContact O-N 2.94Å; S56-R58 PolarHBondContact O-N 2.98Å; S56-Y59 WeakPolarHBondContact O-CB 3.37Å; S56-Y59 PolarHBondContact O-N 3.43Å; S56-L60 VanDerWaalsContact O-CG 3.27Å; S56-L60 WeakPolarHBondContact O-CG 3.32Å; S56-L60 PolarHBondContact O-N 2.86Å; S56-D222 WeakPolarHBondContact CA-OD1 3.32Å; S56-D222 WeakPolarHBondContact CB-OD1 3.27Å; S56-D222 WeakPolarHBondContact CB-OD2 3.34Å; S56-D222 PolarHBondContact N-OD1 3.12Å; S56-D222 PolarHBondContact N-OD2 3.49Å; S56-D222 PolarHBondContact OG-O 3.49Å; S56-D222 PolarHBondContact OG-OD2 3.21Å; S56-S226 VanDerWaalsContact OG-CB 3.3Å; S56-S226 WeakPolarHBondContact OG-CB 3.31Å |
| 57 | F | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -42.1 | 175.8 | -70.7 | -56 | 0 | 0 | 0 | 112.1 | Y40 F43 L48 L54 Y59 L60 I61 D222 Y366 I368 | Y40-F57 HydrophobicContact CD2-CZ 4.01Å; Y40-F57 HydrophobicContact CE2-CE1 4.11Å; Y40-F57 AromaticContact CE2-CZ 3.7Å; Y40-F57 HydrophobicContact CE2-CZ 3.7Å; F43-F57 AromaticContact CE2-CE2 3.93Å; F43-F57 HydrophobicContact CE2-CE2 3.93Å; F43-F57 AromaticContact CE2-CZ 3.76Å; F43-F57 HydrophobicContact CE2-CZ 3.76Å; F43-F57 AromaticContact CZ-CE2 3.94Å; F43-F57 HydrophobicContact CZ-CE2 3.94Å; F43-F57 HydrophobicContact CZ-CZ 4Å; L48-F57 HydrophobicContact CD2-CB 3.91Å; L48-F57 HydrophobicContact CD2-CD1 3.92Å; L48-F57 HydrophobicContact CD2-CD2 4.26Å; L48-F57 HydrophobicContact CD2-CE1 4.49Å; L48-F57 HydrophobicContact CD2-CG 3.79Å; L54-F57 HydrophobicContact CB-CB 4.31Å; L54-F57 HydrophobicContact CB-CD2 4.26Å; L54-F57 HydrophobicContact CD2-CD2 4.45Å; F57-Y59 VanDerWaalsContact C-N 3.32Å; F57-Y59 PolarHBondContact O-N 3.46Å; F57-L60 HydrophobicContact CD1-CD1 4.38Å; F57-L60 PolarHBondContact O-N 2.92Å; F57-I61 WeakPolarHBondContact O-CB 3.32Å; F57-I61 VanDerWaalsContact O-CG1 3.26Å; F57-I61 WeakPolarHBondContact O-CG1 3.43Å; F57-I61 PolarHBondContact O-N 2.98Å; F57-D222 HydrophobicContact CD2-CB 3.76Å; F57-D222 WeakPolarHBondContact CD2-OD1 3.27Å; F57-D222 HydrophobicContact CE2-CB 3.82Å; F57-D222 PolarHBondContact N-OD1 2.88Å; F57-Y366 HydrophobicContact CE1-CE2 4.16Å; F57-I368 HydrophobicContact CD1-CD1 3.93Å |
| 58 | R | 98.3 | Very high | 97.8 | Very high | 127 Ų | 127 | 60.4 Ų | 60.4 | 48% | 0.479 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 175.5 | -71.9 | 172.7 | 75 | 104.9 | -5.8 | 112.1 | E52 L54 S56 K62 | E52-R58 IonicContact OE1-NH1 2.62Å; E52-R58 IonicContact OE2-CZ 3.55Å; E52-R58 IonicContact OE2-NH1 3.99Å; E52-R58 PolarHBondContact OE2-NH1 3.42Å; E52-R58 IonicContact OE2-NH2 3.42Å; L54-R58 VanDerWaalsContact O-CB 3.28Å; L54-R58 WeakPolarHBondContact O-CB 3.48Å; L54-R58 WeakPolarHBondContact O-CD 3.18Å; L54-R58 WeakPolarHBondContact O-CG 3.34Å; L54-R58 PolarHBondContact O-N 3.31Å; S56-R58 PolarHBondContact O-N 2.98Å; R58-K62 WeakPolarHBondContact O-CB 3.38Å; R58-K62 PolarHBondContact O-N 3.27Å |
| 59 | Y | 98.3 | Very high | 97.7 | Very high | 135 Ų | 135 | 62.7 Ų | 62.7 | 53% | 0.529 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 172.5 | 176.2 | -90.4 | 0 | 0 | 0 | 111.1 | Y55 S56 F57 I61 K62 H63 | Y55-Y59 WeakPolarHBondContact O-CB 3.35Å; Y55-Y59 PolarHBondContact O-N 2.9Å; S56-Y59 WeakPolarHBondContact O-CB 3.37Å; S56-Y59 PolarHBondContact O-N 3.43Å; F57-Y59 VanDerWaalsContact C-N 3.32Å; F57-Y59 PolarHBondContact O-N 3.46Å; Y59-I61 PolarHBondContact O-N 2.85Å; Y59-K62 PolarHBondContact O-N 2.91Å; Y59-H63 AromaticContact CD2-CD2 3.43Å; Y59-H63 VanDerWaalsContact CD2-CD2 3.43Å; Y59-H63 WeakPolarHBondContact CD2-CD2 3.42Å; Y59-H63 AromaticContact CD2-NE2 3.91Å; Y59-H63 HydrophobicContact CE1-CB 4.48Å; Y59-H63 AromaticContact CE2-CD2 3.3Å; Y59-H63 WeakPolarHBondContact CE2-CD2 3.33Å; Y59-H63 AromaticContact CE2-NE2 3.67Å; Y59-H63 AromaticContact CG-CD2 3.94Å; Y59-H63 AromaticContact CZ-CD2 3.74Å; Y59-H63 WeakPolarHBondContact O-CB 3.24Å; Y59-H63 PolarHBondContact O-CD2 3.49Å; Y59-H63 VanDerWaalsContact O-CD2 3.24Å; Y59-H63 PolarHBondContact O-N 3.34Å |
| 60 | L | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 179.1 | -66.2 | 171 | 0 | 0 | 0 | 112.1 | S56 F57 K62 H63 G64 T225 L229 F245 I368 V370 | S56-L60 VanDerWaalsContact O-CG 3.27Å; S56-L60 WeakPolarHBondContact O-CG 3.32Å; S56-L60 PolarHBondContact O-N 2.86Å; F57-L60 HydrophobicContact CD1-CD1 4.38Å; F57-L60 PolarHBondContact O-N 2.92Å; L60-K62 VanDerWaalsContact C-N 3.34Å; L60-K62 PolarHBondContact O-N 2.91Å; L60-H63 CarbonylContact O-C 3.51Å; L60-H63 PolarHBondContact O-N 2.87Å; L60-G64 WeakPolarHBondContact O-CA 3.26Å; L60-G64 PolarHBondContact O-N 3.41Å; L60-T225 HydrophobicContact CD1-CG2 3.6Å; L60-L229 HydrophobicContact CD1-CD1 4.44Å; L60-L229 HydrophobicContact CD2-CD1 4.01Å; L60-L229 HydrophobicContact CD2-CD2 4.31Å; L60-L229 HydrophobicContact CG-CD1 4.31Å; L60-F245 HydrophobicContact CD1-CD2 3.93Å; L60-F245 HydrophobicContact CD1-CE2 3.61Å; L60-F245 HydrophobicContact CD1-CZ 4.05Å; L60-F245 HydrophobicContact CD2-CE2 4.19Å; L60-I368 HydrophobicContact CB-CG2 3.73Å; L60-V370 HydrophobicContact CB-CG1 4.24Å; L60-V370 HydrophobicContact CD2-CB 4.28Å; L60-V370 HydrophobicContact CD2-CG1 3.65Å; L60-V370 HydrophobicContact CD2-CG2 3.71Å |
| 61 | I | 98.1 | Very high | 97.9 | Very high | 43 Ų | 43 | 52.9 Ų | 52.9 | 22% | 0.221 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 175 | -69.5 | 165.6 | 0 | 0 | 0 | 110.7 | L48 F57 Y59 H63 H66 I368 | L48-I61 HydrophobicContact CD1-CD1 4.24Å; F57-I61 WeakPolarHBondContact O-CB 3.32Å; F57-I61 VanDerWaalsContact O-CG1 3.26Å; F57-I61 WeakPolarHBondContact O-CG1 3.43Å; F57-I61 PolarHBondContact O-N 2.98Å; Y59-I61 PolarHBondContact O-N 2.85Å; I61-H63 VanDerWaalsContact C-N 3.32Å; I61-H63 PolarHBondContact O-N 3.32Å; I61-H66 HydrophobicContact CG1-CB 4.22Å; I61-H66 HydrophobicContact CG2-CB 4.22Å; I61-I368 HydrophobicContact CD1-CD1 4.21Å; I61-I368 HydrophobicContact CG1-CD1 3.72Å; I61-I368 HydrophobicContact CG1-CG1 4.09Å |
| 62 | K | 97.8 | Very high | 97.9 | Very high | 146 Ų | 146 | 54.7 Ų | 54.7 | 64% | 0.635 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -68 | -31.1 | -180 | -176 | 178.8 | 177.6 | -174.9 | 0 | 112.9 | R58 Y59 L60 G377 | R58-K62 WeakPolarHBondContact O-CB 3.38Å; R58-K62 PolarHBondContact O-N 3.27Å; Y59-K62 PolarHBondContact O-N 2.91Å; L60-K62 VanDerWaalsContact C-N 3.34Å; L60-K62 PolarHBondContact O-N 2.91Å; K62-G377 WeakPolarHBondContact O-CA 3.35Å; K62-G377 PolarHBondContact O-N 3.11Å |
| 63 | H | 97.9 | Very high | 98 | Very high | 74 Ų | 74 | 48.3 Ų | 48.3 | 34% | 0.343 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -111.2 | 3.3 | -172.3 | -67.7 | -70.4 | 0 | 0 | 0 | 114.3 | Y59 L60 I61 S376 | Y59-H63 AromaticContact CD2-CD2 3.43Å; Y59-H63 VanDerWaalsContact CD2-CD2 3.43Å; Y59-H63 WeakPolarHBondContact CD2-CD2 3.42Å; Y59-H63 AromaticContact CD2-NE2 3.91Å; Y59-H63 HydrophobicContact CE1-CB 4.48Å; Y59-H63 AromaticContact CE2-CD2 3.3Å; Y59-H63 WeakPolarHBondContact CE2-CD2 3.33Å; Y59-H63 AromaticContact CE2-NE2 3.67Å; Y59-H63 AromaticContact CG-CD2 3.94Å; Y59-H63 AromaticContact CZ-CD2 3.74Å; Y59-H63 WeakPolarHBondContact O-CB 3.24Å; Y59-H63 PolarHBondContact O-CD2 3.49Å; Y59-H63 VanDerWaalsContact O-CD2 3.24Å; Y59-H63 PolarHBondContact O-N 3.34Å; L60-H63 CarbonylContact O-C 3.51Å; L60-H63 PolarHBondContact O-N 2.87Å; I61-H63 VanDerWaalsContact C-N 3.32Å; I61-H63 PolarHBondContact O-N 3.32Å; H63-S376 VanDerWaalsContact C-OG 3.23Å; H63-S376 WeakPolarHBondContact CA-OG 3.47Å; H63-S376 WeakPolarHBondContact O-CB 3.13Å; H63-S376 PolarHBondContact O-OG 2.89Å |
| 64 | G | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -128 | -158.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L60 A369 K375 S376 G377 V378 | L60-G64 WeakPolarHBondContact O-CA 3.26Å; L60-G64 PolarHBondContact O-N 3.41Å; G64-A369 CarbonylContact C-O 3.49Å; G64-A369 VanDerWaalsContact CA-O 3.24Å; G64-A369 WeakPolarHBondContact CA-O 3.39Å; G64-K375 CarbonylContact C-O 3.51Å; G64-S376 CarbonylContact O-C 3.23Å; G64-G377 PolarHBondContact O-N 3.26Å; G64-V378 PolarHBondContact O-N 3.22Å |
| 65 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.4 | 166.7 | -176.2 | 0 | 0 | 0 | 0 | 109 | I368 A369 F374 K375 V378 V380 L413 | V65-I368 CarbonylContact O-C 3.55Å; V65-I368 VanDerWaalsContact O-CA 3.31Å; V65-I368 WeakPolarHBondContact O-CA 3.35Å; V65-A369 PolarHBondContact N-O 2.88Å; V65-A369 PolarHBondContact O-N 2.9Å; V65-F374 HydrophobicContact CG2-CB 4.25Å; V65-F374 HydrophobicContact CG2-CD1 4.49Å; V65-K375 HydrophobicContact CG2-CB 3.95Å; V65-K375 WeakPolarHBondContact CG2-O 3.29Å; V65-V378 CarbonylContact C-O 3.57Å; V65-V378 VanDerWaalsContact CA-O 3.27Å; V65-V378 WeakPolarHBondContact CA-O 3.38Å; V65-V380 HydrophobicContact CG1-CB 4.27Å; V65-V380 HydrophobicContact CG1-CG1 3.52Å; V65-V380 HydrophobicContact CG1-CG2 3.71Å; V65-L413 HydrophobicContact CG1-CB 4.4Å; V65-L413 HydrophobicContact CG1-CG 3.9Å |
| 66 | H | 98.5 | Very high | 98 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 7% | 0.069 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 130.4 | -178.7 | 169.5 | 51.6 | 0 | 0 | 0 | 111.3 | L48 I61 A68 F367 I368 V378 V379 V380 | L48-H66 WeakPolarHBondContact CD1-CE1 3.37Å; I61-H66 HydrophobicContact CG1-CB 4.22Å; I61-H66 HydrophobicContact CG2-CB 4.22Å; H66-A68 PolarHBondContact O-N 3.41Å; H66-F367 PolarHBondContact ND1-O 2.92Å; H66-I368 HydrophobicContact CB-CG1 4.48Å; H66-V378 PolarHBondContact N-O 2.89Å; H66-V379 CarbonylContact O-C 3.51Å; H66-V379 VanDerWaalsContact O-CA 3.32Å; H66-V379 WeakPolarHBondContact O-CA 3.34Å; H66-V380 WeakPolarHBondContact O-CG2 3.47Å; H66-V380 PolarHBondContact O-N 2.81Å |
| 67 | A | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 109.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | T69 G70 L71 F367 V380 F383 | A67-T69 PolarHBondContact O-N 2.96Å; A67-T69 VanDerWaalsContact O-N 3.1Å; A67-G70 WeakPolarHBondContact CB-O 3.31Å; A67-G70 PolarHBondContact O-N 3Å; A67-G70 VanDerWaalsContact O-N 3.09Å; A67-L71 HydrophobicContact CB-CD2 4.12Å; A67-F367 HydrophobicContact CB-CB 4.02Å; A67-F367 HydrophobicContact CB-CD1 4.29Å; A67-F367 PolarHBondContact N-O 3.23Å; A67-V380 HydrophobicContact CB-CG2 4.12Å; A67-F383 HydrophobicContact CB-CE1 4.48Å |
| 68 | A | 94.3 | Very high | 97.9 | Very high | 28 Ų | 28 | 33.6 Ų | 33.6 | 23% | 0.231 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -25.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | W45 R49 H66 V379 V380 | W45-A68 VanDerWaalsContact CE3-O 3.28Å; W45-A68 WeakPolarHBondContact CZ3-O 3.42Å; R49-A68 PolarHBondContact NH2-O 3.35Å; R49-A68 VanDerWaalsContact NH2-O 3.14Å; H66-A68 PolarHBondContact O-N 3.41Å; A68-V379 HydrophobicContact CB-CG1 3.4Å; A68-V380 PolarHBondContact N-O 3.32Å |
| 69 | T | 96.6 | Very high | 97.9 | Very high | 62 Ų | 62 | 27.8 Ų | 27.8 | 38% | 0.38 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | 28.9 | -179.3 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | A67 Q364 | A67-T69 PolarHBondContact O-N 2.96Å; A67-T69 VanDerWaalsContact O-N 3.1Å; T69-Q364 PolarHBondContact O-OE1 3.12Å |
| 70 | G | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | 67 | -165 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | A67 P365 S382 | A67-G70 WeakPolarHBondContact CB-O 3.31Å; A67-G70 PolarHBondContact O-N 3Å; A67-G70 VanDerWaalsContact O-N 3.09Å; G70-P365 CarbonylContact C-O 3.58Å; G70-P365 WeakPolarHBondContact CA-O 3.44Å; G70-S382 WeakPolarHBondContact O-CA 3.46Å; G70-S382 VanDerWaalsContact O-CB 3.28Å; G70-S382 WeakPolarHBondContact O-CB 3.33Å; G70-S382 PolarHBondContact O-OG 3.47Å | ||
| 71 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -102.9 | 159.7 | 176.8 | -50.9 | -175.7 | 0 | 0 | 0 | 111.3 | A67 Q364 P365 F367 S382 F383 N385 V388 | A67-L71 HydrophobicContact CB-CD2 4.12Å; L71-Q364 WeakPolarHBondContact O-CB 3.42Å; L71-Q364 WeakPolarHBondContact O-CG 3.5Å; L71-P365 HydrophobicContact CB-CG 4.08Å; L71-P365 PolarHBondContact N-O 3.37Å; L71-P365 WeakPolarHBondContact O-CD 3.42Å; L71-F367 HydrophobicContact CD1-CB 4.09Å; L71-F367 HydrophobicContact CD1-CD2 3.89Å; L71-F367 HydrophobicContact CD1-CG 4.3Å; L71-F367 HydrophobicContact CD2-CB 3.58Å; L71-F367 HydrophobicContact CD2-CD2 4.19Å; L71-F367 HydrophobicContact CD2-CG 3.87Å; L71-F367 HydrophobicContact CG-CB 3.76Å; L71-F367 HydrophobicContact CG-CD2 4.42Å; L71-F367 HydrophobicContact CG-CG 4.34Å; L71-S382 WeakPolarHBondContact CA-OG 3.45Å; L71-F383 WeakPolarHBondContact CA-O 3.49Å; L71-F383 WeakPolarHBondContact CB-O 3.38Å; L71-F383 HydrophobicContact CD1-CE2 4.27Å; L71-F383 HydrophobicContact CD1-CZ 4.44Å; L71-F383 HydrophobicContact CD2-CD1 3.86Å; L71-F383 HydrophobicContact CD2-CD2 3.98Å; L71-F383 HydrophobicContact CD2-CE1 3.45Å; L71-F383 VanDerWaalsContact CD2-CE1 3.45Å; L71-F383 HydrophobicContact CD2-CE2 3.59Å; L71-F383 HydrophobicContact CD2-CG 4.11Å; L71-F383 HydrophobicContact CD2-CZ 3.3Å; L71-N385 HydrophobicContact CB-CB 4.48Å; L71-N385 HydrophobicContact CD1-CB 4.09Å; L71-V388 HydrophobicContact CD1-CG2 4.21Å | ||
| 72 | L | 98.4 | Very high | 97.9 | Very high | 55 Ų | 55 | 19.2 Ų | 19.2 | 29% | 0.288 | 10% | 0.099 | S | C | . | . | B | Isolated β-bridge | trans | -84.1 | 109 | 160.4 | -178 | 62.4 | 0 | 0 | 0 | 107.5 | N358 S382 F383 E384 N385 | L72-N358 HydrophobicContact CD1-CB 4.21Å; L72-N358 VanDerWaalsContact CD1-O 3.24Å; L72-N358 WeakPolarHBondContact CD1-O 3.15Å; L72-S382 PolarHBondContact N-OG 3.06Å; L72-F383 PolarHBondContact N-O 3.47Å; L72-E384 HydrophobicContact CB-CG 4.39Å; L72-E384 HydrophobicContact CD2-CG 4.08Å; L72-E384 HydrophobicContact CG-CG 4.5Å; L72-E384 CarbonylContact O-C 3.6Å; L72-E384 VanDerWaalsContact O-CA 3.28Å; L72-E384 WeakPolarHBondContact O-CA 3.36Å; L72-N385 PolarHBondContact O-N 3.33Å |
| 73 | N | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | trans | -81.7 | 175.1 | 174.9 | 58 | -22.6 | 0 | 0 | 0 | 111.5 | T77 N82 D248 H249 N358 M363 P365 | N73-T77 WeakPolarHBondContact ND2-CB 3.12Å; N73-T77 VanDerWaalsContact ND2-CG2 3.32Å; N73-T77 WeakPolarHBondContact ND2-CG2 3.36Å; N73-N82 WeakPolarHBondContact CB-OD1 3.35Å; N73-D248 VanDerWaalsContact CB-O 3.23Å; N73-D248 WeakPolarHBondContact CB-O 3.33Å; N73-D248 PolarHBondContact ND2-O 2.9Å; N73-H249 WeakPolarHBondContact ND2-CA 3.25Å; N73-H249 WeakPolarHBondContact ND2-CB 3.26Å; N73-N358 VanDerWaalsContact O-CB 3.3Å; N73-N358 WeakPolarHBondContact O-CB 3.43Å; N73-N358 PolarHBondContact O-ND2 3.39Å; N73-M363 PolarHBondContact ND2-O 3.36Å; N73-M363 PolarHBondContact OD1-O 3.43Å; N73-P365 HydrophobicContact CB-CG 4.18Å | ||
| 74 | N | 98 | Very high | 98 | Very high | 4 Ų | 4 | 8.8 Ų | 8.8 | 2% | 0.021 | 5% | 0.052 | C | C | . | . | P | Polyproline II helix | trans | -80.5 | 158.4 | 178.5 | -65.1 | -14.6 | 0 | 0 | 0 | 111.3 | V76 T77 N82 L90 Y91 E92 N385 V386 | N74-V76 CarbonylContact O-C 3.57Å; N74-T77 WeakPolarHBondContact O-CG2 3.29Å; N74-N82 WeakPolarHBondContact CB-OD1 3.35Å; N74-N82 PolarHBondContact N-OD1 3.29Å; N74-N82 PolarHBondContact O-ND2 2.9Å; N74-L90 PolarHBondContact ND2-O 3.24Å; N74-Y91 WeakPolarHBondContact OD1-CD1 3.14Å; N74-E92 VanDerWaalsContact CB-CD 3.48Å; N74-E92 WeakPolarHBondContact CB-OE1 3.49Å; N74-E92 VanDerWaalsContact CB-OE2 3.26Å; N74-E92 WeakPolarHBondContact CB-OE2 3.5Å; N74-N385 PolarHBondContact OD1-OD1 2.99Å; N74-V386 WeakPolarHBondContact OD1-CG1 3.36Å |
| 75 | Y | 97.4 | Very high | 98 | Very high | 1 Ų | 1 | 8.8 Ų | 8.8 | 0% | 0.004 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -103 | 124.6 | 172.3 | -175.8 | -89.4 | 0 | 0 | 0 | 110.1 | E92 Y315 Y317 F327 E329 | Y75-E92 VanDerWaalsContact O-OE2 3.07Å; Y75-Y315 AromaticContact CD1-CD2 3.5Å; Y75-Y315 HydrophobicContact CD1-CD2 3.5Å; Y75-Y315 VanDerWaalsContact CD1-CD2 3.5Å; Y75-Y315 HydrophobicContact CD1-CE2 4.17Å; Y75-Y315 AromaticContact CD1-CG 3.71Å; Y75-Y315 HydrophobicContact CD1-CG 3.71Å; Y75-Y315 AromaticContact CE1-CD2 3.42Å; Y75-Y315 HydrophobicContact CE1-CD2 3.42Å; Y75-Y315 VanDerWaalsContact CE1-CD2 3.42Å; Y75-Y315 AromaticContact CE1-CE2 3.78Å; Y75-Y315 HydrophobicContact CE1-CE2 3.78Å; Y75-Y315 HydrophobicContact CE1-CG 4.13Å; Y75-Y315 HydrophobicContact CE2-CD2 4.47Å; Y75-Y315 HydrophobicContact CE2-CE2 4.21Å; Y75-Y315 HydrophobicContact CG-CD1 4.37Å; Y75-Y315 HydrophobicContact CG-CD2 4.06Å; Y75-Y315 AromaticContact CG-CG 3.97Å; Y75-Y315 HydrophobicContact CG-CG 3.97Å; Y75-Y315 AromaticContact CZ-CD2 3.93Å; Y75-Y315 AromaticContact CZ-CE2 3.78Å; Y75-Y317 HydrophobicContact CD1-CG 4.22Å; Y75-Y317 HydrophobicContact CE1-CD1 4.38Å; Y75-Y317 HydrophobicContact CE1-CG 4.48Å; Y75-F327 AromaticContact CE1-CE1 4Å; Y75-F327 HydrophobicContact CE1-CE1 4Å; Y75-F327 AromaticContact CE1-CZ 3.98Å; Y75-F327 HydrophobicContact CE1-CZ 3.98Å; Y75-F327 WeakPolarHBondContact OH-CE1 3.36Å; Y75-F327 VanDerWaalsContact OH-CZ 3.26Å; Y75-F327 WeakPolarHBondContact OH-CZ 3.4Å; Y75-E329 PolarHBondContact OH-OE2 3.01Å |
| 76 | V | 97.4 | Very high | 98 | Very high | 1 Ų | 1 | 8.8 Ų | 8.8 | 1% | 0.006 | 5% | 0.052 | C | C | . | . | S | Bend | cis | -82.4 | 146.5 | 9.3 | -66.8 | 0 | 0 | 0 | 0 | 113.2 | N74 L78 P81 N82 V98 Y317 F327 | N74-V76 CarbonylContact O-C 3.57Å; V76-L78 HydrophobicContact CB-CD1 4.36Å; V76-L78 HydrophobicContact CB-CG 4.21Å; V76-L78 HydrophobicContact CG2-CB 4.25Å; V76-L78 HydrophobicContact CG2-CD1 3.65Å; V76-L78 HydrophobicContact CG2-CG 3.82Å; V76-L78 PolarHBondContact O-N 3.46Å; V76-P81 HydrophobicContact CG2-CG 4.25Å; V76-N82 PolarHBondContact O-ND2 3.42Å; V76-V98 WeakPolarHBondContact CG2-O 3.41Å; V76-Y317 HydrophobicContact CG1-CE2 4.2Å; V76-Y317 HydrophobicContact CG2-CE2 4.44Å; V76-F327 HydrophobicContact CG1-CZ 4.24Å |
| 77 | T | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.049 | C | C | . | . | trans | -80.5 | 58.8 | -175.7 | 70.5 | 0 | 0 | 0 | 0 | 112.1 | N73 N74 H249 H354 G355 Y356 N358 M363 | N73-T77 WeakPolarHBondContact ND2-CB 3.12Å; N73-T77 VanDerWaalsContact ND2-CG2 3.32Å; N73-T77 WeakPolarHBondContact ND2-CG2 3.36Å; N74-T77 WeakPolarHBondContact O-CG2 3.29Å; T77-H249 PolarHBondContact O-CD2 2.89Å; T77-H354 PolarHBondContact O-ND1 2.73Å; T77-G355 PolarHBondContact O-N 2.99Å; T77-G355 WeakPolarHBondContact OG1-CA 3.37Å; T77-G355 PolarHBondContact OG1-N 2.92Å; T77-Y356 VanDerWaalsContact CG2-O 3.29Å; T77-Y356 WeakPolarHBondContact CG2-O 3.29Å; T77-Y356 PolarHBondContact OG1-N 2.88Å; T77-Y356 PolarHBondContact OG1-O 3.47Å; T77-N358 HydrophobicContact CG2-CB 3.63Å; T77-M363 HydrophobicContact CG2-CB 3.89Å; T77-M363 HydrophobicContact CG2-CG 4.16Å; T77-M363 PolarHBondContact OG1-SD 2.84Å | ||
| 78 | L | 97.9 | Very high | 98 | Very high | 12 Ų | 12 | 8.2 Ų | 8.2 | 6% | 0.063 | 5% | 0.05 | C | C | . | . | trans | -114.2 | 159.2 | -179 | -61.3 | 179 | 0 | 0 | 0 | 111.6 | V76 P81 N82 D99 | V76-L78 HydrophobicContact CB-CD1 4.36Å; V76-L78 HydrophobicContact CB-CG 4.21Å; V76-L78 HydrophobicContact CG2-CB 4.25Å; V76-L78 HydrophobicContact CG2-CD1 3.65Å; V76-L78 HydrophobicContact CG2-CG 3.82Å; V76-L78 PolarHBondContact O-N 3.46Å; L78-P81 HydrophobicContact CB-CG 4.06Å; L78-P81 WeakPolarHBondContact O-CD 3.31Å; L78-N82 WeakPolarHBondContact O-CB 3.28Å; L78-N82 PolarHBondContact O-N 2.99Å; L78-N82 VanDerWaalsContact O-N 3.12Å; L78-N82 PolarHBondContact O-ND2 3Å; L78-D99 HydrophobicContact CD1-CB 4.46Å; L78-D99 WeakPolarHBondContact CD1-OD1 3.22Å | ||
| 79 | T | 98 | Very high | 98.2 | Very high | 5 Ų | 5 | 6.9 Ų | 6.9 | 3% | 0.031 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -54.3 | -61.6 | -172.6 | -47.3 | 0 | 0 | 0 | 0 | 115.5 | D41 H83 Y113 D248 H249 | D41-T79 WeakPolarHBondContact OD2-CG2 3.49Å; T79-H83 WeakPolarHBondContact O-CB 3.41Å; T79-H83 PolarHBondContact O-N 3.21Å; T79-H83 PolarHBondContact O-ND1 3.26Å; T79-Y113 HydrophobicContact CG2-CE1 3.94Å; T79-D248 WeakPolarHBondContact CA-OD2 3.25Å; T79-H249 PolarHBondContact OG1-NE2 3.43Å |
| 80 | A | 97.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -65.8 | -46 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N82 Y84 I97 N100 F111 Y113 V149 | A80-N82 PolarHBondContact O-N 3.46Å; A80-Y84 VanDerWaalsContact O-CB 3.26Å; A80-Y84 WeakPolarHBondContact O-CB 3.41Å; A80-Y84 PolarHBondContact O-N 3.39Å; A80-Y84 VanDerWaalsContact O-N 3.16Å; A80-I97 HydrophobicContact CB-CG2 3.83Å; A80-N100 VanDerWaalsContact CB-OD1 3.29Å; A80-N100 WeakPolarHBondContact CB-OD1 3.39Å; A80-N100 PolarHBondContact N-OD1 3.33Å; A80-F111 HydrophobicContact CB-CE1 4.48Å; A80-Y113 HydrophobicContact CB-CD1 4.47Å; A80-Y113 HydrophobicContact CB-CD2 3.85Å; A80-Y113 HydrophobicContact CB-CE2 4.32Å; A80-Y113 HydrophobicContact CB-CG 3.94Å; A80-V149 HydrophobicContact CB-CG1 4.04Å |
| 81 | P | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -52.6 | -53.5 | 174.2 | -31.6 | 39 | 0 | 0 | 0 | 113.7 | V76 L78 Y84 G85 E92 H95 I97 N100 | V76-P81 HydrophobicContact CG2-CG 4.25Å; L78-P81 HydrophobicContact CB-CG 4.06Å; L78-P81 WeakPolarHBondContact O-CD 3.31Å; P81-Y84 PolarHBondContact O-N 3.18Å; P81-G85 PolarHBondContact O-N 2.83Å; P81-E92 HydrophobicContact CB-CG 3.67Å; P81-H95 PolarHBondContact O-NE2 2.95Å; P81-I97 WeakPolarHBondContact CB-O 3.47Å; P81-I97 HydrophobicContact CG-CG2 4.26Å; P81-I97 WeakPolarHBondContact CG-O 3.45Å; P81-N100 WeakPolarHBondContact CD-OD1 3.13Å |
| 82 | N | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -75.8 | -42.5 | -171.7 | -85.8 | -84.4 | 0 | 0 | 0 | 113.3 | N73 N74 V76 L78 A80 Y84 G85 I86 D248 N385 | N73-N82 WeakPolarHBondContact CB-OD1 3.35Å; N74-N82 WeakPolarHBondContact CB-OD1 3.35Å; N74-N82 PolarHBondContact N-OD1 3.29Å; N74-N82 PolarHBondContact O-ND2 2.9Å; V76-N82 PolarHBondContact O-ND2 3.42Å; L78-N82 WeakPolarHBondContact O-CB 3.28Å; L78-N82 PolarHBondContact O-N 2.99Å; L78-N82 VanDerWaalsContact O-N 3.12Å; L78-N82 PolarHBondContact O-ND2 3Å; A80-N82 PolarHBondContact O-N 3.46Å; N82-Y84 PolarHBondContact O-N 3.49Å; N82-G85 PolarHBondContact O-N 2.85Å; N82-I86 WeakPolarHBondContact O-CG1 3.33Å; N82-I86 PolarHBondContact O-N 3.46Å; N82-D248 HydrophobicContact CB-CB 3.71Å; N82-N385 PolarHBondContact OD1-ND2 3.14Å |
| 83 | H | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -60.8 | -37.3 | 175.7 | -80.1 | 108.7 | 0 | 0 | 0 | 112 | S39 D41 T79 W148 V149 Y196 D248 | S39-H83 VanDerWaalsContact CB-NE2 3.33Å; S39-H83 WeakPolarHBondContact CB-NE2 3.28Å; S39-H83 PolarHBondContact OG-NE2 2.87Å; D41-H83 IonicContact OD2-CE1 3.6Å; T79-H83 WeakPolarHBondContact O-CB 3.41Å; T79-H83 PolarHBondContact O-N 3.21Å; T79-H83 PolarHBondContact O-ND1 3.26Å; H83-W148 AromaticContact CD2-CE2 3.8Å; H83-W148 AromaticContact CD2-CZ2 3.65Å; H83-W148 PolarHBondContact O-NE1 2.87Å; H83-V149 HydrophobicContact CB-CB 3.91Å; H83-V149 HydrophobicContact CB-CG2 3.56Å; H83-Y196 AromaticContact CE1-CD2 3.79Å; H83-Y196 AromaticContact CE1-CE2 3.51Å; H83-Y196 AromaticContact NE2-CD2 3.57Å; H83-Y196 AromaticContact NE2-CE2 3.78Å; H83-D248 VanDerWaalsContact CE1-CB 3.48Å; H83-D248 WeakPolarHBondContact CE1-CB 3.46Å; H83-D248 IonicContact CE1-OD1 2.82Å; H83-D248 IonicContact CE1-OD2 2.68Å; H83-D248 PolarHBondContact CE1-OD2 3.25Å; H83-D248 IonicContact ND1-OD2 2.78Å; H83-D248 PolarHBondContact ND1-OD2 3.25Å; H83-D248 VanDerWaalsContact ND1-OD2 3.14Å |
| 84 | Y | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -75.2 | -35.5 | 176.8 | -163.2 | -117 | 0 | 0 | 0 | 112.2 | A80 P81 N82 I86 V87 T88 H95 I97 F125 G126 P129 W131 I155 | A80-Y84 VanDerWaalsContact O-CB 3.26Å; A80-Y84 WeakPolarHBondContact O-CB 3.41Å; A80-Y84 PolarHBondContact O-N 3.39Å; A80-Y84 VanDerWaalsContact O-N 3.16Å; P81-Y84 PolarHBondContact O-N 3.18Å; N82-Y84 PolarHBondContact O-N 3.49Å; Y84-I86 PolarHBondContact O-N 2.9Å; Y84-V87 HydrophobicContact CD2-CG2 3.99Å; Y84-V87 HydrophobicContact CE2-CG2 4.44Å; Y84-V87 VanDerWaalsContact O-CG2 3.25Å; Y84-V87 WeakPolarHBondContact O-CG2 3.43Å; Y84-V87 PolarHBondContact O-N 3.44Å; Y84-T88 HydrophobicContact CD1-CG2 4.21Å; Y84-T88 HydrophobicContact CD2-CG2 4.42Å; Y84-T88 HydrophobicContact CE1-CG2 3.79Å; Y84-T88 HydrophobicContact CE2-CG2 3.97Å; Y84-T88 HydrophobicContact CG-CG2 4.5Å; Y84-T88 WeakPolarHBondContact O-CG2 3.42Å; Y84-T88 PolarHBondContact O-N 3.49Å; Y84-T88 VanDerWaalsContact O-N 3.12Å; Y84-T88 PolarHBondContact O-OG1 3.37Å; Y84-H95 HydrophobicContact CD1-CB 3.89Å; Y84-H95 AromaticContact CD1-CG 3.75Å; Y84-H95 AromaticContact CD1-ND1 3.6Å; Y84-H95 HydrophobicContact CE1-CB 3.82Å; Y84-I97 HydrophobicContact CD1-CG1 3.78Å; Y84-I97 HydrophobicContact CE1-CG1 4.33Å; Y84-I97 HydrophobicContact CG-CG1 4.36Å; Y84-F125 HydrophobicContact CD1-CD1 4.21Å; Y84-F125 AromaticContact CD2-CD1 3.96Å; Y84-F125 HydrophobicContact CD2-CD1 3.96Å; Y84-F125 HydrophobicContact CD2-CE1 4.37Å; Y84-F125 HydrophobicContact CE1-CB 4.21Å; Y84-F125 AromaticContact CE1-CD1 3.95Å; Y84-F125 HydrophobicContact CE1-CD1 3.95Å; Y84-F125 AromaticContact CE2-CD1 3.72Å; Y84-F125 HydrophobicContact CE2-CD1 3.72Å; Y84-F125 HydrophobicContact CG-CD1 4.23Å; Y84-F125 AromaticContact CZ-CD1 3.75Å; Y84-G126 WeakPolarHBondContact CE1-O 3.15Å; Y84-G126 PolarHBondContact OH-O 3.14Å; Y84-P129 HydrophobicContact CE2-CB 4.37Å; Y84-W131 HydrophobicContact CE2-CH2 4.38Å; Y84-I155 HydrophobicContact CE2-CD1 3.77Å |
| 85 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -57.9 | -44.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P81 N82 V87 T88 G89 L90 | P81-G85 PolarHBondContact O-N 2.83Å; N82-G85 PolarHBondContact O-N 2.85Å; G85-V87 VanDerWaalsContact C-N 3.3Å; G85-V87 PolarHBondContact O-N 3.41Å; G85-T88 PolarHBondContact O-N 3.34Å; G85-T88 PolarHBondContact O-OG1 3.32Å; G85-G89 WeakPolarHBondContact O-CA 3.2Å; G85-G89 PolarHBondContact O-N 3.26Å; G85-L90 VanDerWaalsContact CA-O 3.27Å; G85-L90 WeakPolarHBondContact CA-O 3.39Å; G85-L90 PolarHBondContact O-N 2.96Å |
| 86 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -57.9 | -40.7 | 178.1 | -69.6 | 164 | 0 | 0 | 0 | 112 | L37 N82 Y84 W148 T246 N385 V388 | L37-I86 HydrophobicContact CD2-CG2 3.79Å; N82-I86 WeakPolarHBondContact O-CG1 3.33Å; N82-I86 PolarHBondContact O-N 3.46Å; Y84-I86 PolarHBondContact O-N 2.9Å; I86-W148 HydrophobicContact CB-CZ2 4.47Å; I86-W148 HydrophobicContact CG2-CZ2 4.25Å; I86-T246 HydrophobicContact CD1-CG2 4.42Å; I86-N385 HydrophobicContact CG1-CB 4.22Å; I86-V388 HydrophobicContact CG2-CB 4.3Å; I86-V388 HydrophobicContact CG2-CG1 4.07Å |
| 87 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -88.8 | -8.4 | -175.4 | -61.6 | 0 | 0 | 0 | 0 | 114 | Y84 G85 P129 L130 W131 W148 L194 | Y84-V87 HydrophobicContact CD2-CG2 3.99Å; Y84-V87 HydrophobicContact CE2-CG2 4.44Å; Y84-V87 VanDerWaalsContact O-CG2 3.25Å; Y84-V87 WeakPolarHBondContact O-CG2 3.43Å; Y84-V87 PolarHBondContact O-N 3.44Å; G85-V87 VanDerWaalsContact C-N 3.3Å; G85-V87 PolarHBondContact O-N 3.41Å; V87-P129 HydrophobicContact CG2-CB 4.19Å; V87-P129 CarbonylContact O-C 3.49Å; V87-P129 VanDerWaalsContact O-CA 3.31Å; V87-P129 WeakPolarHBondContact O-CA 3.47Å; V87-L130 WeakPolarHBondContact O-CG 3.22Å; V87-L130 PolarHBondContact O-N 3.03Å; V87-W131 HydrophobicContact CB-CE3 4.44Å; V87-W131 HydrophobicContact CB-CZ3 3.87Å; V87-W131 HydrophobicContact CG1-CZ3 4.07Å; V87-W131 HydrophobicContact CG2-CH2 4.01Å; V87-W131 HydrophobicContact CG2-CZ3 3.62Å; V87-W148 HydrophobicContact CG1-CZ2 4.03Å; V87-L194 HydrophobicContact CG1-CD2 3.84Å |
| 88 | T | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 7.1 Ų | 7.1 | 2% | 0.018 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -111.7 | -17.4 | 175.5 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | Y84 G85 L90 P129 Y389 | Y84-T88 HydrophobicContact CD1-CG2 4.21Å; Y84-T88 HydrophobicContact CD2-CG2 4.42Å; Y84-T88 HydrophobicContact CE1-CG2 3.79Å; Y84-T88 HydrophobicContact CE2-CG2 3.97Å; Y84-T88 HydrophobicContact CG-CG2 4.5Å; Y84-T88 WeakPolarHBondContact O-CG2 3.42Å; Y84-T88 PolarHBondContact O-N 3.49Å; Y84-T88 VanDerWaalsContact O-N 3.12Å; Y84-T88 PolarHBondContact O-OG1 3.37Å; G85-T88 PolarHBondContact O-N 3.34Å; G85-T88 PolarHBondContact O-OG1 3.32Å; T88-L90 PolarHBondContact O-N 2.98Å; T88-L90 PolarHBondContact OG1-N 2.82Å; T88-P129 HydrophobicContact CG2-CB 4.3Å; T88-Y389 WeakPolarHBondContact O-CE2 3.3Å |
| 89 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 16.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G85 N403 N404 G405 | G85-G89 WeakPolarHBondContact O-CA 3.2Å; G85-G89 PolarHBondContact O-N 3.26Å; G89-N403 WeakPolarHBondContact O-CB 3.26Å; G89-N404 WeakPolarHBondContact O-CA 3.18Å; G89-N404 WeakPolarHBondContact O-CB 3.33Å; G89-N404 PolarHBondContact O-N 3.23Å; G89-G405 PolarHBondContact O-N 2.88Å |
| 90 | L | 98.8 | Very high | 98.2 | Very high | 19 Ų | 19 | 7 Ų | 7 | 10% | 0.099 | 4% | 0.04 | C | C | . | . | trans | -106.8 | 151.6 | -173.8 | -65.5 | 174.4 | 0 | 0 | 0 | 111.3 | N74 G85 T88 H95 V386 N403 N404 | N74-L90 PolarHBondContact ND2-O 3.24Å; G85-L90 VanDerWaalsContact CA-O 3.27Å; G85-L90 WeakPolarHBondContact CA-O 3.39Å; G85-L90 PolarHBondContact O-N 2.96Å; T88-L90 PolarHBondContact O-N 2.98Å; T88-L90 PolarHBondContact OG1-N 2.82Å; L90-H95 HydrophobicContact CB-CB 3.91Å; L90-H95 HydrophobicContact CD1-CB 3.93Å; L90-H95 PolarHBondContact O-CD2 2.91Å; L90-H95 VanDerWaalsContact O-CD2 3.28Å; L90-V386 WeakPolarHBondContact O-CG1 3.47Å; L90-N403 HydrophobicContact CD2-CB 4.42Å; L90-N404 VanDerWaalsContact CA-OD1 3.28Å; L90-N404 WeakPolarHBondContact CA-OD1 3.46Å | ||
| 91 | Y | 98.7 | Very high | 98.1 | Very high | 22 Ų | 22 | 9 Ų | 9 | 9% | 0.086 | 5% | 0.049 | C | C | . | . | trans | -77.8 | 164.8 | 162.6 | -58.6 | -52.7 | 0 | 0 | 0 | 111.1 | N74 E93 S94 H95 H316 E384 V386 N404 | N74-Y91 WeakPolarHBondContact OD1-CD1 3.14Å; Y91-E93 VanDerWaalsContact C-N 3.28Å; Y91-E93 PolarHBondContact O-N 2.94Å; Y91-S94 WeakPolarHBondContact O-CA 3.33Å; Y91-S94 WeakPolarHBondContact O-CB 3.5Å; Y91-S94 PolarHBondContact O-N 2.9Å; Y91-H95 PolarHBondContact O-CD2 2.74Å; Y91-H95 PolarHBondContact O-N 3.31Å; Y91-H316 HydrophobicContact CD1-CB 4.18Å; Y91-H316 HydrophobicContact CD2-CB 3.36Å; Y91-H316 AromaticContact CD2-CD2 3.7Å; Y91-H316 AromaticContact CD2-CG 3.36Å; Y91-H316 AromaticContact CD2-ND1 3.92Å; Y91-H316 HydrophobicContact CE2-CB 3.94Å; Y91-H316 AromaticContact CE2-CD2 3.28Å; Y91-H316 WeakPolarHBondContact CE2-CD2 3.19Å; Y91-H316 AromaticContact CE2-CE1 3.97Å; Y91-H316 AromaticContact CE2-CG 3.41Å; Y91-H316 VanDerWaalsContact CE2-CG 3.41Å; Y91-H316 AromaticContact CE2-ND1 3.84Å; Y91-H316 AromaticContact CE2-NE2 3.66Å; Y91-H316 HydrophobicContact CG-CB 3.5Å; Y91-H316 AromaticContact CG-CG 3.95Å; Y91-H316 AromaticContact CZ-CD2 3.49Å; Y91-H316 VanDerWaalsContact CZ-CD2 3.49Å; Y91-H316 AromaticContact CZ-NE2 3.95Å; Y91-E384 PolarHBondContact OH-OE2 3.45Å; Y91-V386 HydrophobicContact CD1-CG1 4.1Å; Y91-V386 HydrophobicContact CE1-CG1 4.16Å; Y91-V386 HydrophobicContact CE1-CG2 3.79Å; Y91-N404 HydrophobicContact CD1-CB 4.47Å; Y91-N404 HydrophobicContact CD2-CB 3.52Å; Y91-N404 HydrophobicContact CE1-CB 4.41Å; Y91-N404 HydrophobicContact CE2-CB 3.48Å; Y91-N404 VanDerWaalsContact CE2-CB 3.48Å; Y91-N404 HydrophobicContact CG-CB 4.04Å; Y91-N404 PolarHBondContact N-OD1 3.47Å | ||
| 92 | E | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -54.4 | -43.1 | -177.5 | -73 | 82.1 | 178.2 | 0 | 0 | 112.4 | N74 Y75 P81 S94 H95 G96 V98 Y317 | N74-E92 VanDerWaalsContact CB-CD 3.48Å; N74-E92 WeakPolarHBondContact CB-OE1 3.49Å; N74-E92 VanDerWaalsContact CB-OE2 3.26Å; N74-E92 WeakPolarHBondContact CB-OE2 3.5Å; Y75-E92 VanDerWaalsContact O-OE2 3.07Å; P81-E92 HydrophobicContact CB-CG 3.67Å; E92-S94 PolarHBondContact O-N 3.33Å; E92-H95 WeakPolarHBondContact CA-NE2 3.26Å; E92-H95 PolarHBondContact N-NE2 2.9Å; E92-G96 VanDerWaalsContact O-CA 3.26Å; E92-G96 WeakPolarHBondContact O-CA 3.4Å; E92-G96 PolarHBondContact O-N 2.94Å; E92-V98 HydrophobicContact CB-CG1 4.46Å; E92-Y317 HydrophobicContact CB-CD2 4.1Å |
| 93 | E | 98.2 | Very high | 97.9 | Very high | 28 Ų | 28 | 10.3 Ų | 10.3 | 13% | 0.131 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -65.2 | -25 | -179.8 | 73.5 | -173.2 | -174.3 | 0 | 0 | 112.5 | Y91 H316 Y317 K318 N319 N320 | Y91-E93 VanDerWaalsContact C-N 3.28Å; Y91-E93 PolarHBondContact O-N 2.94Å; E93-H316 VanDerWaalsContact CB-O 3.28Å; E93-H316 WeakPolarHBondContact CB-O 3.21Å; E93-H316 WeakPolarHBondContact CG-O 3.27Å; E93-H316 PolarHBondContact N-O 2.87Å; E93-Y317 PolarHBondContact OE2-N 3.27Å; E93-K318 PolarHBondContact OE2-N 2.88Å; E93-N319 HydrophobicContact CB-CB 4.34Å; E93-N319 HydrophobicContact CG-CB 4.33Å; E93-N319 PolarHBondContact OE1-ND2 2.85Å; E93-N319 WeakPolarHBondContact OE2-CB 3.26Å; E93-N319 PolarHBondContact OE2-N 2.79Å; E93-N319 PolarHBondContact OE2-ND2 3.32Å; E93-N320 HydrophobicContact CB-CB 4.25Å; E93-N320 PolarHBondContact O-ND2 3.15Å |
| 94 | S | 98.3 | Very high | 97.8 | Very high | 57 Ų | 57 | 10.7 Ų | 10.7 | 40% | 0.399 | 6% | 0.056 | S | C | . | . | H | α-helix | trans | -91.9 | -40.4 | -177 | -63.7 | 0 | 0 | 0 | 0 | 113.3 | Y91 E92 N404 | Y91-S94 WeakPolarHBondContact O-CA 3.33Å; Y91-S94 WeakPolarHBondContact O-CB 3.5Å; Y91-S94 PolarHBondContact O-N 2.9Å; E92-S94 PolarHBondContact O-N 3.33Å; S94-N404 PolarHBondContact OG-OD1 3.31Å |
| 95 | H | 97.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -91.5 | -14.2 | 177 | 66.4 | 69.3 | 0 | 0 | 0 | 113.8 | P81 Y84 L90 Y91 E92 I97 G126 | P81-H95 PolarHBondContact O-NE2 2.95Å; Y84-H95 HydrophobicContact CD1-CB 3.89Å; Y84-H95 AromaticContact CD1-CG 3.75Å; Y84-H95 AromaticContact CD1-ND1 3.6Å; Y84-H95 HydrophobicContact CE1-CB 3.82Å; L90-H95 HydrophobicContact CB-CB 3.91Å; L90-H95 HydrophobicContact CD1-CB 3.93Å; L90-H95 PolarHBondContact O-CD2 2.91Å; L90-H95 VanDerWaalsContact O-CD2 3.28Å; Y91-H95 PolarHBondContact O-CD2 2.74Å; Y91-H95 PolarHBondContact O-N 3.31Å; E92-H95 WeakPolarHBondContact CA-NE2 3.26Å; E92-H95 PolarHBondContact N-NE2 2.9Å; H95-I97 PolarHBondContact CE1-O 3.07Å; H95-I97 VanDerWaalsContact CE1-O 3.24Å; H95-I97 PolarHBondContact ND1-N 3.35Å; H95-I97 PolarHBondContact O-N 3.35Å; H95-G126 WeakPolarHBondContact O-CA 3.4Å; H95-G126 PolarHBondContact O-N 3.27Å |
| 96 | G | 97.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | trans | 81.3 | 1.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | E92 V98 R322 | E92-G96 VanDerWaalsContact O-CA 3.26Å; E92-G96 WeakPolarHBondContact O-CA 3.4Å; E92-G96 PolarHBondContact O-N 2.94Å; G96-V98 VanDerWaalsContact C-N 3.33Å; G96-V98 PolarHBondContact O-N 2.84Å; G96-V98 VanDerWaalsContact O-N 3.17Å; G96-R322 WeakPolarHBondContact O-CD 3.33Å; G96-R322 PolarHBondContact O-NH1 3.11Å | ||
| 97 | I | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -87.4 | 83.7 | 171.4 | -53.3 | -61 | 0 | 0 | 0 | 106.2 | A80 P81 Y84 H95 F102 F111 F124 F125 | A80-I97 HydrophobicContact CB-CG2 3.83Å; P81-I97 WeakPolarHBondContact CB-O 3.47Å; P81-I97 HydrophobicContact CG-CG2 4.26Å; P81-I97 WeakPolarHBondContact CG-O 3.45Å; Y84-I97 HydrophobicContact CD1-CG1 3.78Å; Y84-I97 HydrophobicContact CE1-CG1 4.33Å; Y84-I97 HydrophobicContact CG-CG1 4.36Å; H95-I97 PolarHBondContact CE1-O 3.07Å; H95-I97 VanDerWaalsContact CE1-O 3.24Å; H95-I97 PolarHBondContact ND1-N 3.35Å; H95-I97 PolarHBondContact O-N 3.35Å; I97-F102 HydrophobicContact CD1-CE1 4.16Å; I97-F102 HydrophobicContact CD1-CZ 4.05Å; I97-F102 HydrophobicContact CG2-CE1 4.21Å; I97-F111 HydrophobicContact CG2-CE1 4.39Å; I97-F124 HydrophobicContact CD1-CB 4.15Å; I97-F124 VanDerWaalsContact CD1-O 3.25Å; I97-F124 WeakPolarHBondContact CD1-O 3.43Å; I97-F125 HydrophobicContact CD1-CD1 3.85Å; I97-F125 HydrophobicContact CD1-CE1 3.9Å; I97-F125 HydrophobicContact CD1-CG 4.18Å; I97-F125 HydrophobicContact CD1-CZ 4.26Å; I97-F125 HydrophobicContact CG1-CD1 4.05Å; I97-F125 HydrophobicContact CG1-CE1 4.19Å | ||
| 98 | V | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -86.2 | -12 | -170.6 | -60.5 | 0 | 0 | 0 | 0 | 113.4 | V76 E92 G96 F102 Y317 N320 R322 V323 | V76-V98 WeakPolarHBondContact CG2-O 3.41Å; E92-V98 HydrophobicContact CB-CG1 4.46Å; G96-V98 VanDerWaalsContact C-N 3.33Å; G96-V98 PolarHBondContact O-N 2.84Å; G96-V98 VanDerWaalsContact O-N 3.17Å; V98-F102 HydrophobicContact CG2-CB 3.7Å; V98-F102 HydrophobicContact CG2-CD1 3.99Å; V98-F102 HydrophobicContact CG2-CD2 4.35Å; V98-F102 HydrophobicContact CG2-CG 3.76Å; V98-Y317 HydrophobicContact CB-CE2 3.83Å; V98-Y317 HydrophobicContact CG1-CE2 4.48Å; V98-Y317 VanDerWaalsContact O-CE2 3.27Å; V98-Y317 WeakPolarHBondContact O-CE2 3.05Å; V98-Y317 PolarHBondContact O-OH 2.99Å; V98-N320 HydrophobicContact CG1-CB 4.22Å; V98-R322 HydrophobicContact CG1-CB 4.19Å; V98-R322 HydrophobicContact CG2-CB 3.59Å; V98-V323 HydrophobicContact CB-CG2 4.27Å; V98-V323 HydrophobicContact CG1-CG2 4.07Å | ||
| 99 | D | 97 | Very high | 97.2 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -160.3 | 168.9 | 179.2 | -156.9 | -57.6 | 0 | 0 | 0 | 108.5 | L78 Q101 F102 G275 | L78-D99 HydrophobicContact CD1-CB 4.46Å; L78-D99 WeakPolarHBondContact CD1-OD1 3.22Å; D99-Q101 WeakPolarHBondContact CB-O 3.22Å; D99-Q101 PolarHBondContact O-N 3.05Å; D99-Q101 PolarHBondContact OD1-N 2.97Å; D99-Q101 VanDerWaalsContact OD1-N 3.15Å; D99-F102 HydrophobicContact CB-CB 4.23Å; D99-F102 HydrophobicContact CB-CD1 4.42Å; D99-F102 WeakPolarHBondContact O-CD1 2.9Å; D99-G275 VanDerWaalsContact CG-CA 3.5Å; D99-G275 WeakPolarHBondContact OD2-CA 3.13Å |
| 100 | N | 96 | Very high | 97.1 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 6% | 0.059 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -67.2 | -24.7 | 164.2 | -75.9 | -12.4 | 0 | 0 | 0 | 111.2 | A80 P81 Y113 F114 | A80-N100 VanDerWaalsContact CB-OD1 3.29Å; A80-N100 WeakPolarHBondContact CB-OD1 3.39Å; A80-N100 PolarHBondContact N-OD1 3.33Å; P81-N100 WeakPolarHBondContact CD-OD1 3.13Å; N100-Y113 WeakPolarHBondContact O-CB 3.45Å; N100-Y113 PolarHBondContact O-N 2.81Å; N100-F114 HydrophobicContact CB-CE2 3.91Å; N100-F114 HydrophobicContact CB-CZ 4.33Å |
| 101 | Q | 95.4 | Very high | 96.9 | Very high | 42 Ų | 42 | 33.6 Ų | 33.6 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 115.5 | 173.5 | -62.4 | -170.5 | -28.5 | 0 | 0 | 111.4 | D99 F111 D112 G275 | D99-Q101 WeakPolarHBondContact CB-O 3.22Å; D99-Q101 PolarHBondContact O-N 3.05Å; D99-Q101 PolarHBondContact OD1-N 2.97Å; D99-Q101 VanDerWaalsContact OD1-N 3.15Å; Q101-F111 WeakPolarHBondContact CA-O 3.44Å; Q101-D112 HydrophobicContact CG-CB 4.34Å; Q101-D112 WeakPolarHBondContact CG-OD1 3.08Å; Q101-D112 PolarHBondContact NE2-OD1 2.83Å; Q101-D112 PolarHBondContact NE2-OD2 2.86Å; Q101-D112 VanDerWaalsContact NE2-OD2 3.13Å; Q101-G275 VanDerWaalsContact O-CA 3.27Å; Q101-G275 WeakPolarHBondContact O-CA 3.3Å; Q101-G275 PolarHBondContact O-N 2.87Å |
| 102 | F | 96.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 161.6 | 178.9 | 63.8 | -97.3 | 0 | 0 | 0 | 112.6 | I97 V98 D99 T110 F111 F124 R322 | I97-F102 HydrophobicContact CD1-CE1 4.16Å; I97-F102 HydrophobicContact CD1-CZ 4.05Å; I97-F102 HydrophobicContact CG2-CE1 4.21Å; V98-F102 HydrophobicContact CG2-CB 3.7Å; V98-F102 HydrophobicContact CG2-CD1 3.99Å; V98-F102 HydrophobicContact CG2-CD2 4.35Å; V98-F102 HydrophobicContact CG2-CG 3.76Å; D99-F102 HydrophobicContact CB-CB 4.23Å; D99-F102 HydrophobicContact CB-CD1 4.42Å; D99-F102 WeakPolarHBondContact O-CD1 2.9Å; F102-T110 CarbonylContact O-C 3.57Å; F102-T110 WeakPolarHBondContact O-CA 3.48Å; F102-T110 WeakPolarHBondContact O-CG2 3.42Å; F102-F111 HydrophobicContact CD1-CB 4Å; F102-F111 AromaticContact CD1-CD1 3.66Å; F102-F111 HydrophobicContact CD1-CD1 3.66Å; F102-F111 HydrophobicContact CD1-CG 4.17Å; F102-F111 HydrophobicContact CD2-CB 4.01Å; F102-F111 HydrophobicContact CE1-CB 3.6Å; F102-F111 AromaticContact CE1-CD1 3.2Å; F102-F111 HydrophobicContact CE1-CD1 3.2Å; F102-F111 HydrophobicContact CE1-CD2 4.45Å; F102-F111 AromaticContact CE1-CE1 3.93Å; F102-F111 HydrophobicContact CE1-CE1 3.93Å; F102-F111 AromaticContact CE1-CG 3.5Å; F102-F111 HydrophobicContact CE1-CG 3.5Å; F102-F111 HydrophobicContact CE2-CB 3.58Å; F102-F111 HydrophobicContact CE2-CG 4.32Å; F102-F111 HydrophobicContact CG-CB 4.2Å; F102-F111 HydrophobicContact CZ-CB 3.37Å; F102-F111 AromaticContact CZ-CD1 3.82Å; F102-F111 HydrophobicContact CZ-CD1 3.82Å; F102-F111 HydrophobicContact CZ-CD2 4.33Å; F102-F111 AromaticContact CZ-CG 3.59Å; F102-F111 HydrophobicContact CZ-CG 3.59Å; F102-F111 PolarHBondContact N-O 2.8Å; F102-F111 PolarHBondContact O-N 3.28Å; F102-F124 AromaticContact CE2-CD1 3.76Å; F102-F124 HydrophobicContact CE2-CD1 3.76Å; F102-F124 HydrophobicContact CE2-CE1 4.17Å; F102-F124 HydrophobicContact CZ-CB 4.3Å; F102-F124 HydrophobicContact CZ-CD1 4.01Å; F102-F124 HydrophobicContact CZ-CG 4.36Å; F102-R322 HydrophobicContact CD2-CB 3.99Å; F102-R322 HydrophobicContact CD2-CG 3.89Å; F102-R322 HydrophobicContact CE2-CB 4.49Å; F102-R322 VanDerWaalsContact CE2-CD 3.43Å; F102-R322 HydrophobicContact CE2-CG 4.01Å |
| 103 | Y | 96.8 | Very high | 96.5 | Very high | 28 Ų | 28 | 35.8 Ų | 35.8 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 131.3 | 173.7 | 172.8 | -106.1 | 0 | 0 | 0 | 110.6 | P105 N108 K109 F274 L283 M324 | Y103-P105 HydrophobicContact CD1-CB 4.42Å; Y103-P105 VanDerWaalsContact CE1-CA 3.47Å; Y103-P105 HydrophobicContact CE1-CB 3.82Å; Y103-P105 WeakPolarHBondContact O-CD 3.34Å; Y103-N108 PolarHBondContact OH-OD1 3.2Å; Y103-K109 WeakPolarHBondContact CD2-O 3.49Å; Y103-F274 VanDerWaalsContact CB-CE1 3.4Å; Y103-F274 HydrophobicContact CD1-CE2 4.15Å; Y103-F274 HydrophobicContact CD1-CZ 4.09Å; Y103-F274 HydrophobicContact CD2-CE1 4.41Å; Y103-F274 HydrophobicContact CD2-CZ 4.23Å; Y103-F274 HydrophobicContact CG-CE1 4.04Å; Y103-F274 HydrophobicContact CG-CE2 4.05Å; Y103-F274 AromaticContact CG-CZ 3.65Å; Y103-F274 HydrophobicContact CG-CZ 3.65Å; Y103-L283 HydrophobicContact CD1-CD2 4.21Å; Y103-L283 HydrophobicContact CE1-CD2 4.11Å; Y103-M324 HydrophobicContact CD1-CE 4.27Å; Y103-M324 HydrophobicContact CD1-SD 4.32Å; Y103-M324 WeakPolarHBondContact O-CE 3.39Å |
| 104 | D | 97.7 | Very high | 96 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 110.5 | 171.2 | -172 | -44.6 | 0 | 0 | 0 | 109.1 | N106 L107 N108 K109 F124 R322 | D104-N106 VanDerWaalsContact C-N 3.29Å; D104-N106 PolarHBondContact O-N 3.27Å; D104-N106 WeakPolarHBondContact OD1-CA 3.35Å; D104-N106 WeakPolarHBondContact OD1-CB 3.23Å; D104-N106 PolarHBondContact OD1-N 2.89Å; D104-L107 HydrophobicContact CB-CB 4.06Å; D104-L107 HydrophobicContact CB-CD1 4.22Å; D104-L107 HydrophobicContact CB-CG 4.27Å; D104-L107 PolarHBondContact OD1-N 3.4Å; D104-L107 WeakPolarHBondContact OD2-CD1 3Å; D104-N108 WeakPolarHBondContact O-CA 3.2Å; D104-N108 PolarHBondContact O-N 3.43Å; D104-K109 PolarHBondContact N-O 3.1Å; D104-K109 PolarHBondContact O-N 3.29Å; D104-F124 HydrophobicContact CB-CD1 4.43Å; D104-F124 HydrophobicContact CB-CE1 3.95Å; D104-R322 HydrophobicContact CB-CG 4.17Å; D104-R322 IonicContact OD2-CZ 3.46Å; D104-R322 IonicContact OD2-NE 2.92Å; D104-R322 PolarHBondContact OD2-NE 3.22Å; D104-R322 IonicContact OD2-NH2 3.68Å; D104-R322 PolarHBondContact OD2-NH2 2.94Å |
| 105 | P | 96.6 | Very high | 95.4 | Very high | 53 Ų | 53 | 39.7 Ų | 39.7 | 34% | 0.344 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -24.1 | -178.7 | 29.4 | -35.1 | 0 | 0 | 0 | 113.4 | Y103 D321 | Y103-P105 HydrophobicContact CD1-CB 4.42Å; Y103-P105 VanDerWaalsContact CE1-CA 3.47Å; Y103-P105 HydrophobicContact CE1-CB 3.82Å; Y103-P105 WeakPolarHBondContact O-CD 3.34Å; P105-D321 WeakPolarHBondContact CD-O 3.46Å; P105-D321 HydrophobicContact CG-CB 4.08Å; P105-D321 WeakPolarHBondContact CG-O 3.38Å |
| 106 | N | 96.9 | Very high | 94.4 | Very high | 118 Ų | 118 | 48.1 Ų | 48.1 | 63% | 0.631 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -37.1 | -179.5 | -63.9 | -36.8 | 0 | 0 | 0 | 110.9 | D104 D321 | D104-N106 VanDerWaalsContact C-N 3.29Å; D104-N106 PolarHBondContact O-N 3.27Å; D104-N106 WeakPolarHBondContact OD1-CA 3.35Å; D104-N106 WeakPolarHBondContact OD1-CB 3.23Å; D104-N106 PolarHBondContact OD1-N 2.89Å; N106-D321 PolarHBondContact ND2-OD2 2.9Å |
| 107 | L | 95.8 | Very high | 93.6 | Very high | 63 Ų | 63 | 53 Ų | 53 | 33% | 0.33 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -18.8 | 174.8 | -59 | 178.3 | 0 | 0 | 0 | 112.7 | D104 K109 A123 F124 | D104-L107 HydrophobicContact CB-CB 4.06Å; D104-L107 HydrophobicContact CB-CD1 4.22Å; D104-L107 HydrophobicContact CB-CG 4.27Å; D104-L107 PolarHBondContact OD1-N 3.4Å; D104-L107 WeakPolarHBondContact OD2-CD1 3Å; L107-K109 VanDerWaalsContact C-N 3.26Å; L107-K109 HydrophobicContact CB-CB 4.2Å; L107-K109 HydrophobicContact CB-CD 4.32Å; L107-K109 HydrophobicContact CB-CG 4.19Å; L107-K109 PolarHBondContact O-N 3.41Å; L107-A123 HydrophobicContact CD1-CB 3.7Å; L107-A123 HydrophobicContact CD2-CB 4.25Å; L107-F124 HydrophobicContact CD1-CD1 4.07Å; L107-F124 HydrophobicContact CD1-CE1 3.97Å |
| 108 | N | 95.7 | Very high | 92.8 | Very high | 119 Ų | 119 | 56.1 Ų | 56.1 | 64% | 0.636 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 47.3 | -167.7 | -175.5 | 40.2 | 0 | 0 | 0 | 111.3 | Y103 D104 | Y103-N108 PolarHBondContact OH-OD1 3.2Å; D104-N108 WeakPolarHBondContact O-CA 3.2Å; D104-N108 PolarHBondContact O-N 3.43Å |
| 109 | K | 95.8 | Very high | 92.2 | Very high | 97 Ų | 97 | 57.3 Ų | 57.3 | 42% | 0.422 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 152.4 | -179.3 | -65.6 | -178.5 | -171.6 | -177.3 | 0 | 110.5 | Y103 D104 L107 D121 F124 | Y103-K109 WeakPolarHBondContact CD2-O 3.49Å; D104-K109 PolarHBondContact N-O 3.1Å; D104-K109 PolarHBondContact O-N 3.29Å; L107-K109 VanDerWaalsContact C-N 3.26Å; L107-K109 HydrophobicContact CB-CB 4.2Å; L107-K109 HydrophobicContact CB-CD 4.32Å; L107-K109 HydrophobicContact CB-CG 4.19Å; L107-K109 PolarHBondContact O-N 3.41Å; K109-D121 IonicContact NZ-OD2 3.72Å; K109-D121 PolarHBondContact NZ-OD2 3.2Å; K109-F124 HydrophobicContact CB-CE1 4.22Å; K109-F124 HydrophobicContact CB-CZ 3.72Å; K109-F124 HydrophobicContact CD-CZ 4.47Å |
| 110 | T | 95 | Very high | 91.7 | Very high | 54 Ų | 54 | 60.8 Ų | 60.8 | 33% | 0.331 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.2 | 172.7 | -60.3 | 0 | 0 | 0 | 0 | 108.8 | F102 | F102-T110 CarbonylContact O-C 3.57Å; F102-T110 WeakPolarHBondContact O-CA 3.48Å; F102-T110 WeakPolarHBondContact O-CG2 3.42Å |
| 111 | F | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 135.5 | 164.3 | 176.7 | -96.9 | 0 | 0 | 0 | 109 | A80 I97 Q101 F102 Y113 N119 F124 F125 | A80-F111 HydrophobicContact CB-CE1 4.48Å; I97-F111 HydrophobicContact CG2-CE1 4.39Å; Q101-F111 WeakPolarHBondContact CA-O 3.44Å; F102-F111 HydrophobicContact CD1-CB 4Å; F102-F111 AromaticContact CD1-CD1 3.66Å; F102-F111 HydrophobicContact CD1-CD1 3.66Å; F102-F111 HydrophobicContact CD1-CG 4.17Å; F102-F111 HydrophobicContact CD2-CB 4.01Å; F102-F111 HydrophobicContact CE1-CB 3.6Å; F102-F111 AromaticContact CE1-CD1 3.2Å; F102-F111 HydrophobicContact CE1-CD1 3.2Å; F102-F111 HydrophobicContact CE1-CD2 4.45Å; F102-F111 AromaticContact CE1-CE1 3.93Å; F102-F111 HydrophobicContact CE1-CE1 3.93Å; F102-F111 AromaticContact CE1-CG 3.5Å; F102-F111 HydrophobicContact CE1-CG 3.5Å; F102-F111 HydrophobicContact CE2-CB 3.58Å; F102-F111 HydrophobicContact CE2-CG 4.32Å; F102-F111 HydrophobicContact CG-CB 4.2Å; F102-F111 HydrophobicContact CZ-CB 3.37Å; F102-F111 AromaticContact CZ-CD1 3.82Å; F102-F111 HydrophobicContact CZ-CD1 3.82Å; F102-F111 HydrophobicContact CZ-CD2 4.33Å; F102-F111 AromaticContact CZ-CG 3.59Å; F102-F111 HydrophobicContact CZ-CG 3.59Å; F102-F111 PolarHBondContact N-O 2.8Å; F102-F111 PolarHBondContact O-N 3.28Å; F111-Y113 HydrophobicContact CZ-CD2 4.4Å; F111-N119 HydrophobicContact CD2-CB 4.43Å; F111-N119 HydrophobicContact CE2-CB 3.85Å; F111-N119 HydrophobicContact CZ-CB 4.37Å; F111-F124 HydrophobicContact CB-CD1 4.04Å; F111-F124 HydrophobicContact CB-CD2 4.13Å; F111-F124 HydrophobicContact CB-CE1 3.97Å; F111-F124 HydrophobicContact CB-CE2 4.05Å; F111-F124 HydrophobicContact CB-CG 4.11Å; F111-F124 HydrophobicContact CB-CZ 3.96Å; F111-F124 HydrophobicContact CD2-CB 4.09Å; F111-F124 AromaticContact CD2-CD2 3.62Å; F111-F124 HydrophobicContact CD2-CD2 3.62Å; F111-F124 HydrophobicContact CD2-CE2 4.13Å; F111-F124 AromaticContact CD2-CG 3.9Å; F111-F124 HydrophobicContact CD2-CG 3.9Å; F111-F124 HydrophobicContact CG-CD2 4.35Å; F111-F124 HydrophobicContact CG-CG 4.39Å; F111-F125 HydrophobicContact CE2-CE2 4.09Å; F111-F125 AromaticContact CE2-CZ 3.88Å; F111-F125 HydrophobicContact CE2-CZ 3.88Å; F111-F125 HydrophobicContact CZ-CZ 4.29Å |
| 112 | D | 94.6 | Very high | 91.7 | Very high | 34 Ų | 34 | 62.6 Ų | 62.6 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 104.4 | 173.2 | 177.6 | 1.6 | 0 | 0 | 0 | 108.3 | Q101 F114 S115 N118 N119 | Q101-D112 HydrophobicContact CG-CB 4.34Å; Q101-D112 WeakPolarHBondContact CG-OD1 3.08Å; Q101-D112 PolarHBondContact NE2-OD1 2.83Å; Q101-D112 PolarHBondContact NE2-OD2 2.86Å; Q101-D112 VanDerWaalsContact NE2-OD2 3.13Å; D112-F114 PolarHBondContact O-N 3.44Å; D112-F114 VanDerWaalsContact O-N 3.14Å; D112-F114 PolarHBondContact OD1-N 2.85Å; D112-S115 WeakPolarHBondContact O-CB 3.27Å; D112-S115 PolarHBondContact O-N 2.6Å; D112-N118 HydrophobicContact CB-CB 4.13Å; D112-N119 WeakPolarHBondContact O-CB 3.4Å |
| 113 | Y | 92.3 | Very high | 91.7 | Very high | 34 Ų | 34 | 64.9 Ų | 64.9 | 13% | 0.133 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -36.6 | -175.5 | 176.7 | -120.7 | 0 | 0 | 0 | 112.7 | T79 A80 N100 F111 S115 N119 V149 | T79-Y113 HydrophobicContact CG2-CE1 3.94Å; A80-Y113 HydrophobicContact CB-CD1 4.47Å; A80-Y113 HydrophobicContact CB-CD2 3.85Å; A80-Y113 HydrophobicContact CB-CE2 4.32Å; A80-Y113 HydrophobicContact CB-CG 3.94Å; N100-Y113 WeakPolarHBondContact O-CB 3.45Å; N100-Y113 PolarHBondContact O-N 2.81Å; F111-Y113 HydrophobicContact CZ-CD2 4.4Å; Y113-S115 VanDerWaalsContact C-N 3.31Å; Y113-S115 PolarHBondContact O-N 3.03Å; Y113-N119 PolarHBondContact O-ND2 3.34Å; Y113-V149 HydrophobicContact CE2-CG1 4.28Å; Y113-V149 HydrophobicContact CE2-CG2 3.81Å |
| 114 | F | 88.2 | Confident | 91.7 | Very high | 141 Ų | 141 | 63.8 Ų | 63.8 | 62% | 0.618 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -3.6 | -176.7 | -52 | -70.9 | 0 | 0 | 0 | 113.4 | N100 D112 | N100-F114 HydrophobicContact CB-CE2 3.91Å; N100-F114 HydrophobicContact CB-CZ 4.33Å; D112-F114 PolarHBondContact O-N 3.44Å; D112-F114 VanDerWaalsContact O-N 3.14Å; D112-F114 PolarHBondContact OD1-N 2.85Å |
| 115 | S | 86.1 | Confident | 91.7 | Very high | 26 Ų | 26 | 64.2 Ų | 64.2 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | trans | -104.4 | 118.3 | -179.7 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | D112 Y113 T117 N118 N119 | D112-S115 WeakPolarHBondContact O-CB 3.27Å; D112-S115 PolarHBondContact O-N 2.6Å; Y113-S115 VanDerWaalsContact C-N 3.31Å; Y113-S115 PolarHBondContact O-N 3.03Å; S115-T117 PolarHBondContact O-N 3.19Å; S115-T117 PolarHBondContact OG-N 3.43Å; S115-T117 PolarHBondContact OG-OG1 3.01Å; S115-N118 PolarHBondContact O-N 3.11Å; S115-N118 PolarHBondContact OG-N 3.1Å; S115-N119 PolarHBondContact O-N 3.07Å; S115-N119 VanDerWaalsContact O-N 3.16Å; S115-N119 PolarHBondContact O-ND2 2.94Å; S115-N119 PolarHBondContact O-OD1 3.43Å | ||
| 116 | Q | 77 | Confident | 91.7 | Very high | 177 Ų | 177 | 62.9 Ų | 62.9 | 83% | 0.827 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.9 | 177.3 | -62.6 | -177 | 18.7 | 0 | 0 | 114.3 | T120 | Q116-T120 VanDerWaalsContact O-CG2 3.3Å; Q116-T120 WeakPolarHBondContact O-CG2 3.39Å |
| 117 | T | 81.2 | Confident | 91.7 | Very high | 104 Ų | 104 | 59.1 Ų | 59.1 | 64% | 0.638 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -31.8 | 178.2 | 59.1 | 0 | 0 | 0 | 0 | 112.6 | S115 T120 | S115-T117 PolarHBondContact O-N 3.19Å; S115-T117 PolarHBondContact OG-N 3.43Å; S115-T117 PolarHBondContact OG-OG1 3.01Å; T117-T120 PolarHBondContact O-OG1 3.44Å |
| 118 | N | 81 | Confident | 91.8 | Very high | 67 Ų | 67 | 57.6 Ų | 57.6 | 36% | 0.358 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -5 | -167.8 | -70.2 | 21.4 | 0 | 0 | 0 | 113.3 | D112 S115 F124 | D112-N118 HydrophobicContact CB-CB 4.13Å; S115-N118 PolarHBondContact O-N 3.11Å; S115-N118 PolarHBondContact OG-N 3.1Å; N118-F124 WeakPolarHBondContact O-CE2 3.34Å |
| 119 | N | 84.4 | Confident | 91.9 | Very high | 25 Ų | 25 | 51.9 Ų | 51.9 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -97.8 | -3.2 | 175 | 65.9 | 1.3 | 0 | 0 | 0 | 114.2 | F111 D112 Y113 S115 | F111-N119 HydrophobicContact CD2-CB 4.43Å; F111-N119 HydrophobicContact CE2-CB 3.85Å; F111-N119 HydrophobicContact CZ-CB 4.37Å; D112-N119 WeakPolarHBondContact O-CB 3.4Å; Y113-N119 PolarHBondContact O-ND2 3.34Å; S115-N119 PolarHBondContact O-N 3.07Å; S115-N119 VanDerWaalsContact O-N 3.16Å; S115-N119 PolarHBondContact O-ND2 2.94Å; S115-N119 PolarHBondContact O-OD1 3.43Å |
| 120 | T | 87.4 | Confident | 92.1 | Very high | 76 Ų | 76 | 47.3 Ų | 47.3 | 47% | 0.466 | 27% | 0.273 | S | S | . | . | trans | -89.6 | -8.8 | -167.7 | 57.5 | 0 | 0 | 0 | 0 | 115.8 | Q116 T117 P122 I153 | Q116-T120 VanDerWaalsContact O-CG2 3.3Å; Q116-T120 WeakPolarHBondContact O-CG2 3.39Å; T117-T120 PolarHBondContact O-OG1 3.44Å; T120-P122 VanDerWaalsContact O-CD 3.3Å; T120-P122 WeakPolarHBondContact O-CD 3.23Å; T120-I153 HydrophobicContact CG2-CD1 4.41Å | ||
| 121 | D | 94.5 | Very high | 92.2 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 20% | 0.198 | 26% | 0.257 | C | S | . | . | trans | -79.4 | 114.8 | -177.2 | -169.5 | -20 | 0 | 0 | 0 | 110.9 | K109 A123 F124 | K109-D121 IonicContact NZ-OD2 3.72Å; K109-D121 PolarHBondContact NZ-OD2 3.2Å; D121-A123 PolarHBondContact O-N 3.36Å; D121-A123 VanDerWaalsContact O-N 3.09Å; D121-A123 WeakPolarHBondContact OD1-CB 3.44Å; D121-A123 PolarHBondContact OD1-N 2.95Å; D121-F124 HydrophobicContact CB-CD2 3.74Å; D121-F124 HydrophobicContact CB-CE2 3.72Å; D121-F124 WeakPolarHBondContact O-CD2 3.46Å; D121-F124 PolarHBondContact O-N 3.09Å; D121-F124 VanDerWaalsContact O-N 3.14Å | ||
| 122 | P | 96.1 | Very high | 92.3 | Very high | 53 Ų | 53 | 44.9 Ų | 44.9 | 34% | 0.344 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -62.6 | -17.2 | 179.3 | 26.4 | -35 | 0 | 0 | 0 | 113.4 | T120 F124 F125 I153 A154 | T120-P122 VanDerWaalsContact O-CD 3.3Å; T120-P122 WeakPolarHBondContact O-CD 3.23Å; P122-F124 PolarHBondContact O-N 2.94Å; P122-F125 PolarHBondContact O-N 2.65Å; P122-I153 HydrophobicContact CB-CG2 3.91Å; P122-A154 WeakPolarHBondContact CB-O 3.15Å |
| 123 | A | 96.1 | Very high | 92.5 | Very high | 50 Ų | 50 | 43.8 Ų | 43.8 | 41% | 0.413 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -63.8 | -17.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L107 D121 F125 R322 | L107-A123 HydrophobicContact CD1-CB 3.7Å; L107-A123 HydrophobicContact CD2-CB 4.25Å; D121-A123 PolarHBondContact O-N 3.36Å; D121-A123 VanDerWaalsContact O-N 3.09Å; D121-A123 WeakPolarHBondContact OD1-CB 3.44Å; D121-A123 PolarHBondContact OD1-N 2.95Å; A123-F125 VanDerWaalsContact C-N 3.34Å; A123-R322 PolarHBondContact O-NH2 2.9Å |
| 124 | F | 97.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -74 | -23.2 | 172.1 | -64.7 | -55.6 | 0 | 0 | 0 | 113.3 | I97 F102 D104 L107 K109 F111 N118 D121 P122 R322 | I97-F124 HydrophobicContact CD1-CB 4.15Å; I97-F124 VanDerWaalsContact CD1-O 3.25Å; I97-F124 WeakPolarHBondContact CD1-O 3.43Å; F102-F124 AromaticContact CE2-CD1 3.76Å; F102-F124 HydrophobicContact CE2-CD1 3.76Å; F102-F124 HydrophobicContact CE2-CE1 4.17Å; F102-F124 HydrophobicContact CZ-CB 4.3Å; F102-F124 HydrophobicContact CZ-CD1 4.01Å; F102-F124 HydrophobicContact CZ-CG 4.36Å; D104-F124 HydrophobicContact CB-CD1 4.43Å; D104-F124 HydrophobicContact CB-CE1 3.95Å; L107-F124 HydrophobicContact CD1-CD1 4.07Å; L107-F124 HydrophobicContact CD1-CE1 3.97Å; K109-F124 HydrophobicContact CB-CE1 4.22Å; K109-F124 HydrophobicContact CB-CZ 3.72Å; K109-F124 HydrophobicContact CD-CZ 4.47Å; F111-F124 HydrophobicContact CB-CD1 4.04Å; F111-F124 HydrophobicContact CB-CD2 4.13Å; F111-F124 HydrophobicContact CB-CE1 3.97Å; F111-F124 HydrophobicContact CB-CE2 4.05Å; F111-F124 HydrophobicContact CB-CG 4.11Å; F111-F124 HydrophobicContact CB-CZ 3.96Å; F111-F124 HydrophobicContact CD2-CB 4.09Å; F111-F124 AromaticContact CD2-CD2 3.62Å; F111-F124 HydrophobicContact CD2-CD2 3.62Å; F111-F124 HydrophobicContact CD2-CE2 4.13Å; F111-F124 AromaticContact CD2-CG 3.9Å; F111-F124 HydrophobicContact CD2-CG 3.9Å; F111-F124 HydrophobicContact CG-CD2 4.35Å; F111-F124 HydrophobicContact CG-CG 4.39Å; N118-F124 WeakPolarHBondContact O-CE2 3.34Å; D121-F124 HydrophobicContact CB-CD2 3.74Å; D121-F124 HydrophobicContact CB-CE2 3.72Å; D121-F124 WeakPolarHBondContact O-CD2 3.46Å; D121-F124 PolarHBondContact O-N 3.09Å; D121-F124 VanDerWaalsContact O-N 3.14Å; P122-F124 PolarHBondContact O-N 2.94Å; F124-R322 PolarHBondContact O-NH1 3.37Å |
| 125 | F | 97.5 | Very high | 93.3 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | trans | -102.3 | 105.1 | -169.3 | -66.5 | -93.5 | 0 | 0 | 0 | 111.4 | Y84 I97 F111 P122 A123 V149 I153 I155 | Y84-F125 HydrophobicContact CD1-CD1 4.21Å; Y84-F125 AromaticContact CD2-CD1 3.96Å; Y84-F125 HydrophobicContact CD2-CD1 3.96Å; Y84-F125 HydrophobicContact CD2-CE1 4.37Å; Y84-F125 HydrophobicContact CE1-CB 4.21Å; Y84-F125 AromaticContact CE1-CD1 3.95Å; Y84-F125 HydrophobicContact CE1-CD1 3.95Å; Y84-F125 AromaticContact CE2-CD1 3.72Å; Y84-F125 HydrophobicContact CE2-CD1 3.72Å; Y84-F125 HydrophobicContact CG-CD1 4.23Å; Y84-F125 AromaticContact CZ-CD1 3.75Å; I97-F125 HydrophobicContact CD1-CD1 3.85Å; I97-F125 HydrophobicContact CD1-CE1 3.9Å; I97-F125 HydrophobicContact CD1-CG 4.18Å; I97-F125 HydrophobicContact CD1-CZ 4.26Å; I97-F125 HydrophobicContact CG1-CD1 4.05Å; I97-F125 HydrophobicContact CG1-CE1 4.19Å; F111-F125 HydrophobicContact CE2-CE2 4.09Å; F111-F125 AromaticContact CE2-CZ 3.88Å; F111-F125 HydrophobicContact CE2-CZ 3.88Å; F111-F125 HydrophobicContact CZ-CZ 4.29Å; P122-F125 PolarHBondContact O-N 2.65Å; A123-F125 VanDerWaalsContact C-N 3.34Å; F125-V149 HydrophobicContact CE1-CG1 4.34Å; F125-I153 HydrophobicContact CD2-CG2 4.05Å; F125-I153 HydrophobicContact CE2-CB 4.38Å; F125-I153 HydrophobicContact CE2-CG1 3.97Å; F125-I153 HydrophobicContact CE2-CG2 4.09Å; F125-I153 HydrophobicContact CZ-CG1 4.18Å; F125-I155 HydrophobicContact CB-CD1 3.7Å; F125-I155 HydrophobicContact CB-CG1 3.82Å; F125-I155 HydrophobicContact CB-CG2 4.43Å; F125-I155 HydrophobicContact CD1-CD1 3.99Å; F125-I155 HydrophobicContact CG-CD1 3.88Å; F125-I155 HydrophobicContact CG-CG1 4.18Å | ||
| 126 | G | 97 | Very high | 93.8 | Very high | 26 Ų | 26 | 41.5 Ų | 41.5 | 27% | 0.268 | 24% | 0.24 | S | C | . | . | trans | -83.2 | 163 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y84 H95 | Y84-G126 WeakPolarHBondContact CE1-O 3.15Å; Y84-G126 PolarHBondContact OH-O 3.14Å; H95-G126 WeakPolarHBondContact O-CA 3.4Å; H95-G126 PolarHBondContact O-N 3.27Å | ||
| 127 | G | 97.1 | Very high | 94.7 | Very high | 39 Ų | 39 | 35.6 Ų | 35.6 | 40% | 0.402 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 76.7 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 128 | E | 97.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 31.9 Ų | 31.9 | 14% | 0.14 | 20% | 0.2 | C | C | . | . | trans | -113 | 108.6 | 175.7 | -176.8 | 170.1 | 78.1 | 0 | 0 | 109.4 | I132 K136 K401 | E128-I132 HydrophobicContact CG-CB 3.92Å; E128-I132 HydrophobicContact CG-CG2 3.76Å; E128-K136 WeakPolarHBondContact OE2-CD 3.26Å; E128-K136 IonicContact OE2-NZ 3.91Å; E128-K136 PolarHBondContact OE2-NZ 2.67Å; E128-K401 HydrophobicContact CB-CG 4.42Å; E128-K401 WeakPolarHBondContact OE1-CE 3.35Å; E128-K401 IonicContact OE1-NZ 3.88Å | ||
| 129 | P | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -68.8 | 154.8 | -178.7 | 26.9 | -36 | 0 | 0 | 0 | 112.7 | Y84 V87 T88 W131 I132 L133 I155 | Y84-P129 HydrophobicContact CE2-CB 4.37Å; V87-P129 HydrophobicContact CG2-CB 4.19Å; V87-P129 CarbonylContact O-C 3.49Å; V87-P129 VanDerWaalsContact O-CA 3.31Å; V87-P129 WeakPolarHBondContact O-CA 3.47Å; T88-P129 HydrophobicContact CG2-CB 4.3Å; P129-W131 HydrophobicContact CB-CD2 3.73Å; P129-W131 HydrophobicContact CB-CE3 3.74Å; P129-W131 HydrophobicContact CB-CH2 3.53Å; P129-W131 HydrophobicContact CB-CZ2 3.5Å; P129-W131 HydrophobicContact CB-CZ3 3.66Å; P129-W131 HydrophobicContact CG-CD2 3.92Å; P129-W131 HydrophobicContact CG-CE3 4.41Å; P129-W131 HydrophobicContact CG-CH2 3.94Å; P129-W131 HydrophobicContact CG-CZ2 3.36Å; P129-W131 HydrophobicContact CG-CZ3 4.44Å; P129-W131 PolarHBondContact O-N 2.91Å; P129-W131 VanDerWaalsContact O-N 3.07Å; P129-I132 HydrophobicContact CG-CD1 3.87Å; P129-I132 HydrophobicContact CG-CG1 4.05Å; P129-I132 PolarHBondContact O-N 2.75Å; P129-L133 PolarHBondContact O-N 3.15Å; P129-L133 VanDerWaalsContact O-N 3.1Å; P129-I155 HydrophobicContact CG-CD1 4.23Å; P129-I155 HydrophobicContact CG-CG2 4.44Å | ||
| 130 | L | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -51.4 | -35.1 | -175.6 | -79.2 | 168.3 | 0 | 0 | 0 | 114.1 | V87 I132 L133 N134 F192 Y389 I392 L398 | V87-L130 WeakPolarHBondContact O-CG 3.22Å; V87-L130 PolarHBondContact O-N 3.03Å; L130-I132 PolarHBondContact O-N 3.39Å; L130-L133 PolarHBondContact O-N 2.6Å; L130-N134 WeakPolarHBondContact O-CB 3.42Å; L130-N134 PolarHBondContact O-N 2.89Å; L130-F192 HydrophobicContact CB-CD1 4.43Å; L130-F192 HydrophobicContact CB-CE1 3.5Å; L130-F192 VanDerWaalsContact CB-CE1 3.5Å; L130-F192 HydrophobicContact CB-CZ 3.86Å; L130-F192 HydrophobicContact CD1-CZ 4.03Å; L130-Y389 HydrophobicContact CD1-CD2 4.1Å; L130-Y389 HydrophobicContact CD2-CD2 3.7Å; L130-Y389 HydrophobicContact CD2-CE2 3.61Å; L130-Y389 HydrophobicContact CG-CD2 3.66Å; L130-Y389 HydrophobicContact CG-CE2 3.77Å; L130-I392 HydrophobicContact CD1-CB 3.99Å; L130-I392 HydrophobicContact CD1-CD1 3.65Å; L130-I392 HydrophobicContact CD1-CG1 4.43Å; L130-I392 HydrophobicContact CD1-CG2 3.81Å; L130-I392 HydrophobicContact CD2-CB 4.41Å; L130-I392 HydrophobicContact CD2-CG2 3.99Å; L130-I392 HydrophobicContact CG-CG2 4.48Å; L130-L398 HydrophobicContact CD2-CD1 4.21Å |
| 131 | W | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.5 | -37.6 | 179.5 | 57.1 | 89.6 | 0 | 0 | 0 | 112.4 | Y84 V87 P129 E135 S143 C151 I155 P160 L194 | Y84-W131 HydrophobicContact CE2-CH2 4.38Å; V87-W131 HydrophobicContact CB-CE3 4.44Å; V87-W131 HydrophobicContact CB-CZ3 3.87Å; V87-W131 HydrophobicContact CG1-CZ3 4.07Å; V87-W131 HydrophobicContact CG2-CH2 4.01Å; V87-W131 HydrophobicContact CG2-CZ3 3.62Å; P129-W131 HydrophobicContact CB-CD2 3.73Å; P129-W131 HydrophobicContact CB-CE3 3.74Å; P129-W131 HydrophobicContact CB-CH2 3.53Å; P129-W131 HydrophobicContact CB-CZ2 3.5Å; P129-W131 HydrophobicContact CB-CZ3 3.66Å; P129-W131 HydrophobicContact CG-CD2 3.92Å; P129-W131 HydrophobicContact CG-CE3 4.41Å; P129-W131 HydrophobicContact CG-CH2 3.94Å; P129-W131 HydrophobicContact CG-CZ2 3.36Å; P129-W131 HydrophobicContact CG-CZ3 4.44Å; P129-W131 PolarHBondContact O-N 2.91Å; P129-W131 VanDerWaalsContact O-N 3.07Å; W131-E135 WeakPolarHBondContact O-CG 3.47Å; W131-E135 PolarHBondContact O-N 2.84Å; W131-S143 WeakPolarHBondContact CA-OG 3.2Å; W131-S143 PolarHBondContact O-OG 2.88Å; W131-C151 HydrophobicContact CH2-CB 4.23Å; W131-C151 HydrophobicContact CZ2-CB 4.13Å; W131-I155 HydrophobicContact CZ2-CD1 4.03Å; W131-P160 HydrophobicContact CB-CB 4.31Å; W131-P160 HydrophobicContact CB-CG 4.17Å; W131-P160 HydrophobicContact CD2-CG 4.34Å; W131-P160 HydrophobicContact CG-CB 4.43Å; W131-P160 HydrophobicContact CG-CG 3.82Å; W131-L194 HydrophobicContact CD2-CD1 4.47Å; W131-L194 HydrophobicContact CE3-CD1 3.55Å; W131-L194 HydrophobicContact CZ3-CD1 4.1Å |
| 132 | I | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.9 | -45.7 | 175 | -61.2 | -177.6 | 0 | 0 | 0 | 109.7 | E128 P129 L130 N134 E135 K136 I155 F158 | E128-I132 HydrophobicContact CG-CB 3.92Å; E128-I132 HydrophobicContact CG-CG2 3.76Å; P129-I132 HydrophobicContact CG-CD1 3.87Å; P129-I132 HydrophobicContact CG-CG1 4.05Å; P129-I132 PolarHBondContact O-N 2.75Å; L130-I132 PolarHBondContact O-N 3.39Å; I132-N134 VanDerWaalsContact C-N 3.32Å; I132-N134 PolarHBondContact O-N 2.89Å; I132-E135 PolarHBondContact O-N 3.31Å; I132-K136 HydrophobicContact CG2-CD 3.85Å; I132-K136 VanDerWaalsContact CG2-CE 3.48Å; I132-K136 HydrophobicContact CG2-CG 4.25Å; I132-K136 WeakPolarHBondContact O-CB 3.46Å; I132-K136 WeakPolarHBondContact O-CG 3.39Å; I132-K136 PolarHBondContact O-N 3.4Å; I132-I155 HydrophobicContact CD1-CB 4.08Å; I132-I155 HydrophobicContact CD1-CG2 4.22Å; I132-I155 WeakPolarHBondContact CD1-O 3.38Å; I132-F158 HydrophobicContact CD1-CB 3.95Å; I132-F158 HydrophobicContact CG1-CB 4.08Å; I132-F158 HydrophobicContact CG2-CD2 4.48Å |
| 133 | L | 98.4 | Very high | 97 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 178.7 | -179.8 | 59.9 | 0 | 0 | 0 | 111.6 | P129 L130 S137 Y389 L398 K401 | P129-L133 PolarHBondContact O-N 3.15Å; P129-L133 VanDerWaalsContact O-N 3.1Å; L130-L133 PolarHBondContact O-N 2.6Å; L133-S137 WeakPolarHBondContact O-CB 3.46Å; L133-S137 PolarHBondContact O-N 2.88Å; L133-S137 VanDerWaalsContact O-N 3.1Å; L133-S137 PolarHBondContact O-OG 3.34Å; L133-Y389 WeakPolarHBondContact CD2-OH 3.27Å; L133-L398 HydrophobicContact CD2-CB 4.19Å; L133-L398 HydrophobicContact CD2-CD1 4.22Å; L133-L398 HydrophobicContact CG-CB 4.38Å; L133-L398 HydrophobicContact CG-CD1 4.24Å; L133-K401 HydrophobicContact CD1-CG 4.41Å |
| 134 | N | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.6 | -49.3 | 177 | 178.7 | 56.3 | 0 | 0 | 0 | 111.3 | L130 I132 S137 R141 F142 S143 N191 F192 L398 | L130-N134 WeakPolarHBondContact O-CB 3.42Å; L130-N134 PolarHBondContact O-N 2.89Å; I132-N134 VanDerWaalsContact C-N 3.32Å; I132-N134 PolarHBondContact O-N 2.89Å; N134-S137 PolarHBondContact O-N 3.39Å; N134-S137 PolarHBondContact O-OG 3.3Å; N134-R141 WeakPolarHBondContact O-CB 3.28Å; N134-R141 WeakPolarHBondContact O-CD 3.4Å; N134-F142 PolarHBondContact ND2-O 2.77Å; N134-S143 PolarHBondContact ND2-OG 2.59Å; N134-N191 PolarHBondContact ND2-OD1 3.4Å; N134-N191 PolarHBondContact OD1-ND2 3.32Å; N134-F192 HydrophobicContact CB-CD1 4.49Å; N134-L398 HydrophobicContact CB-CD1 4.37Å; N134-L398 HydrophobicContact CB-CD2 4.43Å |
| 135 | E | 97.7 | Very high | 97.1 | Very high | 45 Ų | 45 | 27.1 Ų | 27.1 | 21% | 0.21 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.8 | -38.9 | -177.6 | -66.7 | -172.9 | -176 | 0 | 0 | 112.9 | W131 I132 S137 G138 S143 T161 | W131-E135 WeakPolarHBondContact O-CG 3.47Å; W131-E135 PolarHBondContact O-N 2.84Å; I132-E135 PolarHBondContact O-N 3.31Å; E135-S137 PolarHBondContact O-N 2.73Å; E135-G138 PolarHBondContact O-N 2.88Å; E135-S143 WeakPolarHBondContact OE1-CB 3.35Å; E135-S143 PolarHBondContact OE1-N 3.15Å; E135-T161 WeakPolarHBondContact OE1-CB 3.22Å; E135-T161 PolarHBondContact OE1-N 3.29Å; E135-T161 PolarHBondContact OE1-OG1 3.28Å; E135-T161 PolarHBondContact OE2-OG1 3.22Å |
| 136 | K | 97.1 | Very high | 97.2 | Very high | 109 Ų | 109 | 26.4 Ų | 26.4 | 47% | 0.474 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.4 | -25.9 | 175.7 | -74.4 | -176.7 | -179.5 | 171.9 | 0 | 113.2 | E128 I132 G138 | E128-K136 WeakPolarHBondContact OE2-CD 3.26Å; E128-K136 IonicContact OE2-NZ 3.91Å; E128-K136 PolarHBondContact OE2-NZ 2.67Å; I132-K136 HydrophobicContact CG2-CD 3.85Å; I132-K136 VanDerWaalsContact CG2-CE 3.48Å; I132-K136 HydrophobicContact CG2-CG 4.25Å; I132-K136 WeakPolarHBondContact O-CB 3.46Å; I132-K136 WeakPolarHBondContact O-CG 3.39Å; I132-K136 PolarHBondContact O-N 3.4Å; K136-G138 PolarHBondContact O-N 2.86Å |
| 137 | S | 96.1 | Very high | 97.1 | Very high | 53 Ų | 53 | 25.5 Ų | 25.5 | 37% | 0.371 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -7 | -177.4 | 71.8 | 0 | 0 | 0 | 0 | 114.4 | L133 N134 E135 R141 L398 | L133-S137 WeakPolarHBondContact O-CB 3.46Å; L133-S137 PolarHBondContact O-N 2.88Å; L133-S137 VanDerWaalsContact O-N 3.1Å; L133-S137 PolarHBondContact O-OG 3.34Å; N134-S137 PolarHBondContact O-N 3.39Å; N134-S137 PolarHBondContact O-OG 3.3Å; E135-S137 PolarHBondContact O-N 2.73Å; S137-R141 WeakPolarHBondContact OG-CD 3.24Å; S137-R141 PolarHBondContact OG-NH1 3.37Å; S137-L398 VanDerWaalsContact OG-CD2 3.23Å; S137-L398 WeakPolarHBondContact OG-CD2 3.29Å |
| 138 | G | 93.7 | Very high | 97.2 | Very high | 26 Ų | 26 | 23.8 Ų | 23.8 | 27% | 0.268 | 14% | 0.141 | S | C | . | . | trans | 176.6 | 143.5 | 170 | 0 | 0 | 0 | 0 | 0 | 114.3 | E135 K136 T140 R141 | E135-G138 PolarHBondContact O-N 2.88Å; K136-G138 PolarHBondContact O-N 2.86Å; G138-T140 PolarHBondContact O-N 3.36Å; G138-R141 WeakPolarHBondContact O-CB 3.48Å; G138-R141 PolarHBondContact O-N 2.91Å | ||
| 139 | A | 92.3 | Very high | 97.1 | Very high | 101 Ų | 101 | 22.5 Ų | 22.5 | 84% | 0.835 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -10.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 140 | T | 92.4 | Very high | 96.9 | Very high | 49 Ų | 49 | 22.7 Ų | 22.7 | 30% | 0.301 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 1.6 | 177 | 64.2 | 0 | 0 | 0 | 0 | 112.8 | R32 G138 F142 | R32-T140 PolarHBondContact NH1-O 3.33Å; R32-T140 VanDerWaalsContact NH2-CB 3.26Å; R32-T140 PolarHBondContact NH2-O 2.84Å; R32-T140 PolarHBondContact NH2-OG1 3.35Å; R32-T140 VanDerWaalsContact NH2-OG1 3.15Å; G138-T140 PolarHBondContact O-N 3.36Å; T140-F142 VanDerWaalsContact O-CD2 3.26Å; T140-F142 WeakPolarHBondContact O-CD2 3.29Å; T140-F142 VanDerWaalsContact O-CE2 3.27Å; T140-F142 WeakPolarHBondContact O-CE2 3.37Å |
| 141 | R | 96.7 | Very high | 96.7 | Very high | 33 Ų | 33 | 22.7 Ų | 22.7 | 13% | 0.125 | 14% | 0.138 | C | C | . | . | trans | -87.8 | 130.7 | 177.6 | -73.8 | -178.5 | 157.7 | 167.8 | -1.2 | 108.9 | N134 S137 G138 N191 L396 D397 | N134-R141 WeakPolarHBondContact O-CB 3.28Å; N134-R141 WeakPolarHBondContact O-CD 3.4Å; S137-R141 WeakPolarHBondContact OG-CD 3.24Å; S137-R141 PolarHBondContact OG-NH1 3.37Å; G138-R141 WeakPolarHBondContact O-CB 3.48Å; G138-R141 PolarHBondContact O-N 2.91Å; R141-N191 VanDerWaalsContact CA-OD1 3.27Å; R141-N191 WeakPolarHBondContact CA-OD1 3.45Å; R141-N191 WeakPolarHBondContact CB-OD1 3.28Å; R141-L396 PolarHBondContact NH2-O 2.81Å; R141-D397 PolarHBondContact NH1-O 2.98Å; R141-D397 PolarHBondContact NH2-O 3.35Å; R141-D397 VanDerWaalsContact NH2-O 3.09Å | ||
| 142 | F | 98.2 | Very high | 96.5 | Very high | 29 Ų | 29 | 25 Ų | 25 | 13% | 0.127 | 15% | 0.15 | C | C | . | . | trans | -135.4 | 143.9 | -175.6 | -55.8 | -68.6 | 0 | 0 | 0 | 109 | F29 N134 T140 T161 K188 P189 I190 N191 | F29-F142 HydrophobicContact CE1-CE2 4.16Å; N134-F142 PolarHBondContact ND2-O 2.77Å; T140-F142 VanDerWaalsContact O-CD2 3.26Å; T140-F142 WeakPolarHBondContact O-CD2 3.29Å; T140-F142 VanDerWaalsContact O-CE2 3.27Å; T140-F142 WeakPolarHBondContact O-CE2 3.37Å; F142-T161 HydrophobicContact CB-CG2 4.25Å; F142-T161 HydrophobicContact CD1-CG2 3.9Å; F142-T161 WeakPolarHBondContact CD1-OG1 3.3Å; F142-T161 HydrophobicContact CG-CG2 4.34Å; F142-K188 HydrophobicContact CD1-CB 4.05Å; F142-K188 HydrophobicContact CD1-CD 4.41Å; F142-K188 HydrophobicContact CD1-CG 4.32Å; F142-K188 HydrophobicContact CD2-CB 3.98Å; F142-K188 HydrophobicContact CE1-CB 4.09Å; F142-K188 HydrophobicContact CE1-CD 4.11Å; F142-K188 HydrophobicContact CE1-CG 3.91Å; F142-K188 HydrophobicContact CE2-CB 4.03Å; F142-K188 HydrophobicContact CE2-CG 4.3Å; F142-K188 HydrophobicContact CG-CB 3.99Å; F142-K188 HydrophobicContact CZ-CB 4.08Å; F142-K188 HydrophobicContact CZ-CG 3.89Å; F142-P189 WeakPolarHBondContact CD2-O 3.44Å; F142-I190 HydrophobicContact CB-CG2 4.25Å; F142-I190 VanDerWaalsContact O-CA 3.26Å; F142-I190 WeakPolarHBondContact O-CA 3.28Å; F142-I190 WeakPolarHBondContact O-CB 3.41Å; F142-N191 PolarHBondContact N-OD1 3.11Å; F142-N191 PolarHBondContact O-N 2.85Å; F142-N191 PolarHBondContact O-OD1 3.36Å | ||
| 143 | S | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 144.5 | -179.4 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | W131 N134 E135 T161 H162 I190 F192 | W131-S143 WeakPolarHBondContact CA-OG 3.2Å; W131-S143 PolarHBondContact O-OG 2.88Å; N134-S143 PolarHBondContact ND2-OG 2.59Å; E135-S143 WeakPolarHBondContact OE1-CB 3.35Å; E135-S143 PolarHBondContact OE1-N 3.15Å; S143-T161 PolarHBondContact O-N 2.94Å; S143-H162 PolarHBondContact O-N 3.42Å; S143-H162 VanDerWaalsContact O-N 3.11Å; S143-I190 VanDerWaalsContact C-CG2 3.49Å; S143-F192 CarbonylContact C-O 3.4Å; S143-F192 VanDerWaalsContact CA-O 3.31Å; S143-F192 WeakPolarHBondContact CA-O 3.29Å |
| 144 | G | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | H162 F192 G193 L194 | G144-H162 CarbonylContact C-O 3.55Å; G144-H162 WeakPolarHBondContact CA-O 3.36Å; G144-F192 PolarHBondContact N-O 3.24Å; G144-G193 CarbonylContact O-C 3.55Å; G144-G193 VanDerWaalsContact O-CA 3.32Å; G144-G193 WeakPolarHBondContact O-CA 3.5Å; G144-L194 PolarHBondContact O-N 3.32Å |
| 145 | C | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 118.3 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 113.3 | W148 C151 P160 H162 Y163 V164 W182 L194 | C145-W148 WeakPolarHBondContact SG-CB 3.46Å; C145-W148 PolarHBondContact SG-N 2.95Å; C145-W148 VanDerWaalsContact SG-N 3.4Å; C145-C151 HydrophobicContact CB-CB 3.48Å; C145-C151 VanDerWaalsContact CB-CB 3.48Å; C145-C151 WeakPolarHBondContact CB-SG 3.43Å; C145-C151 WeakPolarHBondContact SG-CB 3.31Å; C145-C151 CovalentContact SG-SG 2.03Å; C145-C151 PolarHBondContact SG-SG 2.85Å; C145-P160 HydrophobicContact CB-CB 4.35Å; C145-P160 HydrophobicContact CB-CG 3.82Å; C145-H162 PolarHBondContact N-O 3.43Å; C145-Y163 CarbonylContact O-C 3.59Å; C145-Y163 WeakPolarHBondContact O-CA 3.48Å; C145-V164 PolarHBondContact O-N 3.25Å; C145-W182 WeakPolarHBondContact O-CH2 3.3Å; C145-L194 HydrophobicContact CB-CB 4.41Å; C145-L194 HydrophobicContact CB-CD1 4.45Å |
| 146 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 96.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | W148 V164 R175 I179 W182 L194 L195 Y196 | A146-W148 VanDerWaalsContact C-N 3.3Å; A146-W148 PolarHBondContact O-N 3.03Å; A146-V164 HydrophobicContact CB-CG2 4.19Å; A146-R175 HydrophobicContact CB-CB 4.5Å; A146-I179 HydrophobicContact CB-CD1 4.15Å; A146-I179 HydrophobicContact CB-CG1 4.32Å; A146-W182 HydrophobicContact CB-CH2 4.34Å; A146-W182 HydrophobicContact CB-CZ3 4.22Å; A146-L194 PolarHBondContact N-O 3.29Å; A146-L195 HydrophobicContact CB-CD1 4.03Å; A146-Y196 PolarHBondContact O-N 3.3Å; A146-Y196 VanDerWaalsContact O-N 3.13Å |
| 147 | M | 96.2 | Very high | 95.7 | Very high | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 62.7 | 24.5 | 167 | -49.3 | -174.3 | 176.5 | 0 | 0 | 116.3 | V164 P165 Y166 D167 T170 R175 Y196 | M147-V164 HydrophobicContact CE-CG2 4.27Å; M147-V164 HydrophobicContact CG-CG2 4.11Å; M147-V164 PolarHBondContact N-O 3.15Å; M147-P165 WeakPolarHBondContact CE-O 3.23Å; M147-Y166 HydrophobicContact CB-CD2 4.18Å; M147-Y166 HydrophobicContact SD-CD2 4.22Å; M147-D167 HydrophobicContact CE-CB 3.89Å; M147-D167 VanDerWaalsContact CE-N 3.35Å; M147-D167 WeakPolarHBondContact CE-O 3.42Å; M147-D167 PolarHBondContact SD-N 3.04Å; M147-T170 HydrophobicContact CE-CG2 4.11Å; M147-R175 HydrophobicContact CE-CG 4.49Å; M147-R175 PolarHBondContact SD-NE 3.2Å; M147-Y196 HydrophobicContact CB-CD1 4.18Å; M147-Y196 WeakPolarHBondContact O-CB 3.32Å; M147-Y196 VanDerWaalsContact O-CD1 3.27Å; M147-Y196 WeakPolarHBondContact O-CD1 3.49Å |
| 148 | W | 97.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 1% | 0.011 | 19% | 0.191 | C | C | . | . | trans | -77.6 | 146.8 | 173 | -160.5 | -77.9 | 0 | 0 | 0 | 111 | L37 S39 H83 I86 V87 C145 A146 G150 C151 L194 | L37-W148 HydrophobicContact CD1-CH2 4.44Å; L37-W148 HydrophobicContact CD2-CH2 3.41Å; L37-W148 VanDerWaalsContact CD2-CH2 3.41Å; L37-W148 HydrophobicContact CD2-CZ2 3.77Å; L37-W148 HydrophobicContact CD2-CZ3 4.07Å; L37-W148 HydrophobicContact CG-CH2 3.57Å; L37-W148 HydrophobicContact CG-CZ2 4.43Å; L37-W148 HydrophobicContact CG-CZ3 3.88Å; S39-W148 VanDerWaalsContact CB-CZ3 3.43Å; H83-W148 AromaticContact CD2-CE2 3.8Å; H83-W148 AromaticContact CD2-CZ2 3.65Å; H83-W148 PolarHBondContact O-NE1 2.87Å; I86-W148 HydrophobicContact CB-CZ2 4.47Å; I86-W148 HydrophobicContact CG2-CZ2 4.25Å; V87-W148 HydrophobicContact CG1-CZ2 4.03Å; C145-W148 WeakPolarHBondContact SG-CB 3.46Å; C145-W148 PolarHBondContact SG-N 2.95Å; C145-W148 VanDerWaalsContact SG-N 3.4Å; A146-W148 VanDerWaalsContact C-N 3.3Å; A146-W148 PolarHBondContact O-N 3.03Å; W148-G150 PolarHBondContact O-N 3.1Å; W148-C151 PolarHBondContact O-N 2.62Å; W148-C151 VanDerWaalsContact O-N 3.14Å; W148-C151 PolarHBondContact O-SG 3.45Å; W148-L194 HydrophobicContact CB-CB 4.19Å; W148-L194 HydrophobicContact CD2-CB 4.32Å; W148-L194 HydrophobicContact CD2-CD2 3.69Å; W148-L194 HydrophobicContact CE3-CB 4Å; W148-L194 HydrophobicContact CE3-CD2 3.72Å; W148-L194 HydrophobicContact CG-CB 4.43Å; W148-L194 HydrophobicContact CG-CD2 4.17Å; W148-L194 HydrophobicContact CH2-CD2 4.3Å; W148-L194 HydrophobicContact CZ2-CD2 4.28Å; W148-L194 HydrophobicContact CZ3-CD2 4.02Å | ||
| 149 | V | 96.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.024 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 121.4 | 178.7 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | A80 H83 Y113 F125 | A80-V149 HydrophobicContact CB-CG1 4.04Å; H83-V149 HydrophobicContact CB-CB 3.91Å; H83-V149 HydrophobicContact CB-CG2 3.56Å; Y113-V149 HydrophobicContact CE2-CG1 4.28Å; Y113-V149 HydrophobicContact CE2-CG2 3.81Å; F125-V149 HydrophobicContact CE1-CG1 4.34Å |
| 150 | G | 94.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -5.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | W148 I153 | W148-G150 PolarHBondContact O-N 3.1Å; G150-I153 WeakPolarHBondContact O-CB 3.42Å; G150-I153 PolarHBondContact O-N 3.43Å |
| 151 | C | 94 | Very high | 96.4 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -16.4 | -174.6 | 79.2 | 0 | 0 | 0 | 0 | 114.7 | W131 C145 W148 I153 H159 P160 | W131-C151 HydrophobicContact CH2-CB 4.23Å; W131-C151 HydrophobicContact CZ2-CB 4.13Å; C145-C151 HydrophobicContact CB-CB 3.48Å; C145-C151 VanDerWaalsContact CB-CB 3.48Å; C145-C151 WeakPolarHBondContact CB-SG 3.43Å; C145-C151 WeakPolarHBondContact SG-CB 3.31Å; C145-C151 CovalentContact SG-SG 2.03Å; C145-C151 PolarHBondContact SG-SG 2.85Å; W148-C151 PolarHBondContact O-N 2.62Å; W148-C151 VanDerWaalsContact O-N 3.14Å; W148-C151 PolarHBondContact O-SG 3.45Å; C151-I153 VanDerWaalsContact C-N 3.31Å; C151-H159 PolarHBondContact O-CD2 2.95Å; C151-P160 HydrophobicContact CB-CG 3.95Å; C151-P160 WeakPolarHBondContact O-CD 3.42Å |
| 152 | D | 93.7 | Very high | 96.5 | Very high | 50 Ų | 50 | 24.5 Ų | 24.5 | 27% | 0.267 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -0.5 | 167.9 | 59.7 | -17.4 | 0 | 0 | 0 | 112.9 | H159 Y163 P165 | D152-H159 VanDerWaalsContact C-NE2 3.34Å; D152-H159 PolarHBondContact O-NE2 3.3Å; D152-Y163 HydrophobicContact CB-CD2 4.16Å; D152-Y163 HydrophobicContact CB-CE2 4.12Å; D152-P165 HydrophobicContact CB-CB 4.34Å |
| 153 | I | 95.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -100.8 | 136.6 | 178.2 | -49.7 | -47.3 | 0 | 0 | 0 | 110.3 | T120 P122 F125 G150 C151 I155 | T120-I153 HydrophobicContact CG2-CD1 4.41Å; P122-I153 HydrophobicContact CB-CG2 3.91Å; F125-I153 HydrophobicContact CD2-CG2 4.05Å; F125-I153 HydrophobicContact CE2-CB 4.38Å; F125-I153 HydrophobicContact CE2-CG1 3.97Å; F125-I153 HydrophobicContact CE2-CG2 4.09Å; F125-I153 HydrophobicContact CZ-CG1 4.18Å; G150-I153 WeakPolarHBondContact O-CB 3.42Å; G150-I153 PolarHBondContact O-N 3.43Å; C151-I153 VanDerWaalsContact C-N 3.31Å; I153-I155 HydrophobicContact CB-CG1 4.23Å; I153-I155 HydrophobicContact CG2-CG1 4.17Å; I153-I155 PolarHBondContact O-N 3.2Å |
| 154 | A | 95.4 | Very high | 96.3 | Very high | 35 Ų | 35 | 28.7 Ų | 28.7 | 29% | 0.289 | 17% | 0.169 | S | C | . | . | trans | -76.7 | 63 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P122 S156 G157 H159 | P122-A154 WeakPolarHBondContact CB-O 3.15Å; A154-S156 PolarHBondContact O-N 3.27Å; A154-G157 PolarHBondContact O-N 2.95Å; A154-H159 PolarHBondContact N-NE2 3.25Å | ||
| 155 | I | 96.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -64.5 | 123.2 | -177.3 | -59.9 | 173.4 | 0 | 0 | 0 | 109.1 | Y84 F125 P129 W131 I132 I153 G157 F158 | Y84-I155 HydrophobicContact CE2-CD1 3.77Å; F125-I155 HydrophobicContact CB-CD1 3.7Å; F125-I155 HydrophobicContact CB-CG1 3.82Å; F125-I155 HydrophobicContact CB-CG2 4.43Å; F125-I155 HydrophobicContact CD1-CD1 3.99Å; F125-I155 HydrophobicContact CG-CD1 3.88Å; F125-I155 HydrophobicContact CG-CG1 4.18Å; P129-I155 HydrophobicContact CG-CD1 4.23Å; P129-I155 HydrophobicContact CG-CG2 4.44Å; W131-I155 HydrophobicContact CZ2-CD1 4.03Å; I132-I155 HydrophobicContact CD1-CB 4.08Å; I132-I155 HydrophobicContact CD1-CG2 4.22Å; I132-I155 WeakPolarHBondContact CD1-O 3.38Å; I153-I155 HydrophobicContact CB-CG1 4.23Å; I153-I155 HydrophobicContact CG2-CG1 4.17Å; I153-I155 PolarHBondContact O-N 3.2Å; I155-G157 PolarHBondContact O-N 2.99Å; I155-G157 VanDerWaalsContact O-N 3.09Å; I155-F158 PolarHBondContact N-O 3.03Å; I155-F158 PolarHBondContact O-N 3.41Å |
| 156 | S | 91.7 | Very high | 95.8 | Very high | 83 Ų | 83 | 37.1 Ų | 37.1 | 58% | 0.58 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 25.1 | -170.1 | -60.9 | 0 | 0 | 0 | 0 | 114.3 | A154 F158 | A154-S156 PolarHBondContact O-N 3.27Å; S156-F158 WeakPolarHBondContact O-CD2 3.27Å; S156-F158 VanDerWaalsContact O-CE2 3.27Å; S156-F158 WeakPolarHBondContact O-CE2 3.48Å |
| 157 | G | 94.9 | Very high | 95.6 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 64% | 0.639 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 11.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A154 I155 | A154-G157 PolarHBondContact O-N 2.95Å; I155-G157 PolarHBondContact O-N 2.99Å; I155-G157 VanDerWaalsContact O-N 3.09Å |
| 158 | F | 96.1 | Very high | 95.3 | Very high | 100 Ų | 100 | 45.5 Ų | 45.5 | 44% | 0.439 | 25% | 0.252 | S | S | . | . | B | Isolated β-bridge | trans | -122.1 | 142.7 | -178.8 | -60.6 | -87.1 | 0 | 0 | 0 | 112.2 | I132 I155 S156 | I132-F158 HydrophobicContact CD1-CB 3.95Å; I132-F158 HydrophobicContact CG1-CB 4.08Å; I132-F158 HydrophobicContact CG2-CD2 4.48Å; I155-F158 PolarHBondContact N-O 3.03Å; I155-F158 PolarHBondContact O-N 3.41Å; S156-F158 WeakPolarHBondContact O-CD2 3.27Å; S156-F158 VanDerWaalsContact O-CE2 3.27Å; S156-F158 WeakPolarHBondContact O-CE2 3.48Å |
| 159 | H | 96.5 | Very high | 95.2 | Very high | 59 Ų | 59 | 52.7 Ų | 52.7 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | trans | -108.9 | 162 | 162.8 | -70.3 | 99.2 | 0 | 0 | 0 | 109.2 | C151 D152 A154 Y163 | C151-H159 PolarHBondContact O-CD2 2.95Å; D152-H159 VanDerWaalsContact C-NE2 3.34Å; D152-H159 PolarHBondContact O-NE2 3.3Å; A154-H159 PolarHBondContact N-NE2 3.25Å; H159-Y163 HydrophobicContact CB-CD1 3.95Å; H159-Y163 HydrophobicContact CB-CE1 3.6Å; H159-Y163 AromaticContact CD2-CE1 3.89Å; H159-Y163 AromaticContact CD2-CE2 3.99Å; H159-Y163 AromaticContact CD2-CZ 3.61Å; H159-Y163 AromaticContact CG-CE1 3.76Å; H159-Y163 AromaticContact CG-CZ 3.87Å | ||
| 160 | P | 98.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | trans | -56 | 151.9 | 161.9 | -13.9 | 25.7 | 0 | 0 | 0 | 110.9 | W131 C145 C151 H162 Y163 | W131-P160 HydrophobicContact CB-CB 4.31Å; W131-P160 HydrophobicContact CB-CG 4.17Å; W131-P160 HydrophobicContact CD2-CG 4.34Å; W131-P160 HydrophobicContact CG-CB 4.43Å; W131-P160 HydrophobicContact CG-CG 3.82Å; C145-P160 HydrophobicContact CB-CB 4.35Å; C145-P160 HydrophobicContact CB-CG 3.82Å; C151-P160 HydrophobicContact CB-CG 3.95Å; C151-P160 WeakPolarHBondContact O-CD 3.42Å; P160-H162 PolarHBondContact O-N 3.26Å; P160-Y163 WeakPolarHBondContact O-CD1 3.41Å | ||
| 161 | T | 98.4 | Very high | 95.4 | Very high | 40 Ų | 40 | 56.6 Ų | 56.6 | 25% | 0.245 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -54.3 | -41.7 | 177.8 | -64.5 | 0 | 0 | 0 | 0 | 112.6 | E135 F142 S143 K188 | E135-T161 WeakPolarHBondContact OE1-CB 3.22Å; E135-T161 PolarHBondContact OE1-N 3.29Å; E135-T161 PolarHBondContact OE1-OG1 3.28Å; E135-T161 PolarHBondContact OE2-OG1 3.22Å; F142-T161 HydrophobicContact CB-CG2 4.25Å; F142-T161 HydrophobicContact CD1-CG2 3.9Å; F142-T161 WeakPolarHBondContact CD1-OG1 3.3Å; F142-T161 HydrophobicContact CG-CG2 4.34Å; S143-T161 PolarHBondContact O-N 2.94Å; T161-K188 HydrophobicContact CG2-CB 3.92Å; T161-K188 HydrophobicContact CG2-CD 3.58Å; T161-K188 HydrophobicContact CG2-CG 4.4Å |
| 162 | H | 98.6 | Very high | 95.6 | Very high | 27 Ų | 27 | 57 Ų | 57 | 13% | 0.125 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 129.1 | 172.9 | -53.9 | -78.4 | 0 | 0 | 0 | 109.2 | S143 G144 C145 P160 W182 H185 K188 I190 | S143-H162 PolarHBondContact O-N 3.42Å; S143-H162 VanDerWaalsContact O-N 3.11Å; G144-H162 CarbonylContact C-O 3.55Å; G144-H162 WeakPolarHBondContact CA-O 3.36Å; C145-H162 PolarHBondContact N-O 3.43Å; P160-H162 PolarHBondContact O-N 3.26Å; H162-W182 HydrophobicContact CB-CB 4.4Å; H162-W182 HydrophobicContact CB-CD2 3.58Å; H162-W182 HydrophobicContact CB-CE3 4.23Å; H162-W182 HydrophobicContact CB-CG 3.64Å; H162-W182 HydrophobicContact CB-CZ2 4.14Å; H162-W182 AromaticContact CG-CD1 3.65Å; H162-W182 AromaticContact CG-CG 3.86Å; H162-W182 AromaticContact CG-NE1 4Å; H162-W182 AromaticContact ND1-CD1 3.9Å; H162-H185 AromaticContact CE1-CD2 3.24Å; H162-H185 PolarHBondContact CE1-CD2 2.86Å; H162-H185 AromaticContact CE1-CG 3.8Å; H162-H185 AromaticContact CE1-NE2 3.66Å; H162-H185 AromaticContact NE2-CD2 3.79Å; H162-H185 AromaticContact NE2-CG 3.9Å; H162-K188 PolarHBondContact NE2-O 3.41Å; H162-I190 VanDerWaalsContact CD2-CG2 3.48Å; H162-I190 WeakPolarHBondContact CD2-CG2 3.33Å |
| 163 | Y | 98 | Very high | 95.8 | Very high | 88 Ų | 88 | 58.1 Ų | 58.1 | 35% | 0.345 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 156.7 | 173.1 | 69.9 | -78.8 | 0 | 0 | 0 | 111.4 | C145 D152 H159 P160 P165 | C145-Y163 CarbonylContact O-C 3.59Å; C145-Y163 WeakPolarHBondContact O-CA 3.48Å; D152-Y163 HydrophobicContact CB-CD2 4.16Å; D152-Y163 HydrophobicContact CB-CE2 4.12Å; H159-Y163 HydrophobicContact CB-CD1 3.95Å; H159-Y163 HydrophobicContact CB-CE1 3.6Å; H159-Y163 AromaticContact CD2-CE1 3.89Å; H159-Y163 AromaticContact CD2-CE2 3.99Å; H159-Y163 AromaticContact CD2-CZ 3.61Å; H159-Y163 AromaticContact CG-CE1 3.76Å; H159-Y163 AromaticContact CG-CZ 3.87Å; P160-Y163 WeakPolarHBondContact O-CD1 3.41Å; Y163-P165 HydrophobicContact CE2-CG 4.49Å |
| 164 | V | 96.4 | Very high | 96 | Very high | 29 Ų | 29 | 60 Ų | 60 | 18% | 0.176 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.4 | 165.1 | -67.5 | 0 | 0 | 0 | 0 | 109.2 | C145 A146 M147 W182 | C145-V164 PolarHBondContact O-N 3.25Å; A146-V164 HydrophobicContact CB-CG2 4.19Å; M147-V164 HydrophobicContact CE-CG2 4.27Å; M147-V164 HydrophobicContact CG-CG2 4.11Å; M147-V164 PolarHBondContact N-O 3.15Å; V164-W182 HydrophobicContact CG1-CH2 4.31Å; V164-W182 HydrophobicContact CG1-CZ2 4.05Å; V164-W182 HydrophobicContact CG2-CH2 4.21Å |
| 165 | P | 93.5 | Very high | 96.1 | Very high | 76 Ų | 76 | 58.3 Ų | 58.3 | 49% | 0.494 | 32% | 0.317 | S | S | . | . | trans | -59.4 | 161.4 | 171.3 | -21.3 | 33 | 0 | 0 | 0 | 111.7 | M147 D152 Y163 D167 | M147-P165 WeakPolarHBondContact CE-O 3.23Å; D152-P165 HydrophobicContact CB-CB 4.34Å; Y163-P165 HydrophobicContact CE2-CG 4.49Å; P165-D167 PolarHBondContact O-N 3.16Å | ||
| 166 | Y | 92.7 | Very high | 96.2 | Very high | 101 Ų | 101 | 58.3 Ų | 58.3 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | trans | -61.3 | 127.9 | 176.2 | -179.6 | -97.6 | 0 | 0 | 0 | 111.8 | M147 E168 Y196 | M147-Y166 HydrophobicContact CB-CD2 4.18Å; M147-Y166 HydrophobicContact SD-CD2 4.22Å; Y166-E168 HydrophobicContact CE1-CB 4.11Å; Y166-Y196 HydrophobicContact CD2-CE1 4.31Å; Y166-Y196 AromaticContact CE2-CE1 3.97Å; Y166-Y196 HydrophobicContact CE2-CE1 3.97Å | ||
| 167 | D | 93.7 | Very high | 96.5 | Very high | 64 Ų | 64 | 57 Ų | 57 | 34% | 0.342 | 30% | 0.301 | S | S | . | . | trans | -147.2 | 106.3 | 171.7 | 171.4 | 26.3 | 0 | 0 | 0 | 109.5 | M147 P165 H169 T170 | M147-D167 HydrophobicContact CE-CB 3.89Å; M147-D167 VanDerWaalsContact CE-N 3.35Å; M147-D167 WeakPolarHBondContact CE-O 3.42Å; M147-D167 PolarHBondContact SD-N 3.04Å; P165-D167 PolarHBondContact O-N 3.16Å; D167-H169 PolarHBondContact O-N 3.31Å; D167-H169 VanDerWaalsContact O-N 3.14Å; D167-H169 WeakPolarHBondContact OD1-CB 3.31Å; D167-H169 IonicContact OD1-CD2 3.13Å; D167-H169 IonicContact OD1-CG 2.78Å; D167-H169 PolarHBondContact OD1-N 2.77Å; D167-T170 WeakPolarHBondContact O-CB 3.42Å; D167-T170 PolarHBondContact O-N 2.96Å; D167-T170 VanDerWaalsContact O-N 3.12Å; D167-T170 PolarHBondContact OD2-N 2.7Å; D167-T170 PolarHBondContact OD2-OG1 3.49Å | ||
| 168 | E | 90.7 | Very high | 96.7 | Very high | 119 Ų | 119 | 56.9 Ų | 56.9 | 56% | 0.556 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -18.2 | 179.9 | 66 | 177.7 | -163.3 | 0 | 0 | 113.4 | Y166 | Y166-E168 HydrophobicContact CE1-CB 4.11Š|
| 169 | H | 94.7 | Very high | 96.8 | Very high | 154 Ų | 154 | 52.1 Ų | 52.1 | 71% | 0.713 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -14.6 | 178.8 | -56.1 | -40.1 | 0 | 0 | 0 | 113.1 | D167 S171 | D167-H169 PolarHBondContact O-N 3.31Å; D167-H169 VanDerWaalsContact O-N 3.14Å; D167-H169 WeakPolarHBondContact OD1-CB 3.31Å; D167-H169 IonicContact OD1-CD2 3.13Å; D167-H169 IonicContact OD1-CG 2.78Å; D167-H169 PolarHBondContact OD1-N 2.77Å; H169-S171 PolarHBondContact O-N 3.02Å |
| 170 | T | 96.8 | Very high | 96.9 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -72 | 121.4 | 174.7 | -66.8 | 0 | 0 | 0 | 0 | 110.1 | M147 D167 R175 | M147-T170 HydrophobicContact CE-CG2 4.11Å; D167-T170 WeakPolarHBondContact O-CB 3.42Å; D167-T170 PolarHBondContact O-N 2.96Å; D167-T170 VanDerWaalsContact O-N 3.12Å; D167-T170 PolarHBondContact OD2-N 2.7Å; D167-T170 PolarHBondContact OD2-OG1 3.49Å; T170-R175 HydrophobicContact CG2-CG 3.83Å; T170-R175 PolarHBondContact O-NE 3.28Å; T170-R175 PolarHBondContact O-NH2 3.33Å |
| 171 | S | 97.9 | Very high | 97 | Very high | 60 Ų | 60 | 52 Ų | 52 | 42% | 0.42 | 27% | 0.268 | S | S | . | . | trans | -60.9 | 147.4 | 179.6 | 72.8 | 0 | 0 | 0 | 0 | 112 | H169 E173 S174 R175 | H169-S171 PolarHBondContact O-N 3.02Å; S171-E173 VanDerWaalsContact C-N 3.25Å; S171-E173 PolarHBondContact O-N 3.2Å; S171-S174 WeakPolarHBondContact O-CB 3.26Å; S171-S174 PolarHBondContact O-N 3.34Å; S171-S174 WeakPolarHBondContact OG-CB 3.26Å; S171-S174 PolarHBondContact OG-N 2.94Å; S171-R175 PolarHBondContact O-N 2.93Å; S171-R175 VanDerWaalsContact O-N 3.1Å | ||
| 172 | W | 98.4 | Very high | 97 | Very high | 9 Ų | 9 | 51 Ų | 51 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -36.1 | -178.5 | -53.8 | -21.9 | 0 | 0 | 0 | 112.3 | S174 R175 V176 I197 E198 E199 V217 R220 L221 L224 | W172-S174 VanDerWaalsContact C-N 3.33Å; W172-S174 PolarHBondContact O-N 2.85Å; W172-R175 WeakPolarHBondContact O-CB 3.43Å; W172-R175 PolarHBondContact O-N 3.45Å; W172-V176 PolarHBondContact O-N 3.17Å; W172-I197 HydrophobicContact CB-CD1 3.91Å; W172-I197 HydrophobicContact CD2-CG2 3.88Å; W172-I197 HydrophobicContact CG-CD1 3.92Å; W172-I197 HydrophobicContact CG-CG2 4.08Å; W172-I197 HydrophobicContact CZ2-CG2 4.06Å; W172-E198 PolarHBondContact NE1-OE1 3.11Å; W172-E199 HydrophobicContact CH2-CB 3.96Å; W172-E199 HydrophobicContact CH2-CG 3.77Å; W172-E199 HydrophobicContact CZ2-CB 3.94Å; W172-E199 HydrophobicContact CZ2-CG 3.47Å; W172-E199 VanDerWaalsContact CZ2-CG 3.47Å; W172-V217 HydrophobicContact CH2-CG2 4.18Å; W172-R220 HydrophobicContact CE3-CG 4.4Å; W172-R220 HydrophobicContact CH2-CG 4.43Å; W172-R220 VanDerWaalsContact CH2-NH1 3.27Å; W172-R220 HydrophobicContact CZ3-CB 4.27Å; W172-R220 VanDerWaalsContact CZ3-CD 3.45Å; W172-R220 HydrophobicContact CZ3-CG 3.65Å; W172-L221 HydrophobicContact CE3-CD2 4.36Å; W172-L221 HydrophobicContact CH2-CD2 4.31Å; W172-L221 HydrophobicContact CZ3-CD2 3.95Å; W172-L221 HydrophobicContact CZ3-CG 4.44Å; W172-L224 HydrophobicContact CB-CD1 3.64Å; W172-L224 HydrophobicContact CB-CD2 3.68Å; W172-L224 HydrophobicContact CB-CG 4.27Å; W172-L224 HydrophobicContact CD2-CD2 4.4Å; W172-L224 HydrophobicContact CE3-CD2 4.15Å; W172-L224 HydrophobicContact CG-CD2 4.26Å |
| 173 | E | 98.4 | Very high | 97 | Very high | 75 Ų | 75 | 50.2 Ų | 50.2 | 35% | 0.35 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 173.4 | -62.5 | 79.2 | -176.1 | 0 | 0 | 110.9 | S171 R175 V176 E177 Y227 | S171-E173 VanDerWaalsContact C-N 3.25Å; S171-E173 PolarHBondContact O-N 3.2Å; E173-R175 VanDerWaalsContact C-N 3.29Å; E173-R175 PolarHBondContact O-N 3.41Å; E173-V176 WeakPolarHBondContact O-CB 3.34Å; E173-V176 PolarHBondContact O-N 3.23Å; E173-V176 VanDerWaalsContact O-N 3.15Å; E173-E177 WeakPolarHBondContact O-CG 3.34Å; E173-E177 PolarHBondContact O-N 3.4Å; E173-Y227 HydrophobicContact CB-CD1 4.38Å; E173-Y227 HydrophobicContact CB-CE1 4.01Å; E173-Y227 HydrophobicContact CG-CD1 4.22Å; E173-Y227 HydrophobicContact CG-CE1 4.26Å |
| 174 | S | 98.3 | Very high | 96.9 | Very high | 45 Ų | 45 | 49.4 Ų | 49.4 | 32% | 0.315 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.5 | -35.5 | 175.4 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | S171 W172 V176 E177 H178 | S171-S174 WeakPolarHBondContact O-CB 3.26Å; S171-S174 PolarHBondContact O-N 3.34Å; S171-S174 WeakPolarHBondContact OG-CB 3.26Å; S171-S174 PolarHBondContact OG-N 2.94Å; W172-S174 VanDerWaalsContact C-N 3.33Å; W172-S174 PolarHBondContact O-N 2.85Å; S174-V176 VanDerWaalsContact C-N 3.35Å; S174-E177 PolarHBondContact O-N 3.06Å; S174-H178 PolarHBondContact O-CD2 2.88Å; S174-H178 PolarHBondContact O-N 3.15Å |
| 175 | R | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -40.1 | 174.1 | -56 | -177.4 | -161.2 | -178.1 | 5.4 | 111.3 | A146 M147 T170 S171 W172 E173 H178 I179 L195 Y196 E198 | A146-R175 HydrophobicContact CB-CB 4.5Å; M147-R175 HydrophobicContact CE-CG 4.49Å; M147-R175 PolarHBondContact SD-NE 3.2Å; T170-R175 HydrophobicContact CG2-CG 3.83Å; T170-R175 PolarHBondContact O-NE 3.28Å; T170-R175 PolarHBondContact O-NH2 3.33Å; S171-R175 PolarHBondContact O-N 2.93Å; S171-R175 VanDerWaalsContact O-N 3.1Å; W172-R175 WeakPolarHBondContact O-CB 3.43Å; W172-R175 PolarHBondContact O-N 3.45Å; E173-R175 VanDerWaalsContact C-N 3.29Å; E173-R175 PolarHBondContact O-N 3.41Å; R175-H178 PolarHBondContact O-N 2.86Å; R175-I179 WeakPolarHBondContact O-CG1 3.48Å; R175-I179 PolarHBondContact O-N 2.99Å; R175-L195 HydrophobicContact CB-CD1 3.69Å; R175-Y196 PolarHBondContact NH1-O 2.67Å; R175-E198 IonicContact CZ-OE1 3.53Å; R175-E198 IonicContact CZ-OE2 3.2Å; R175-E198 IonicContact NH1-OE2 3.61Å; R175-E198 PolarHBondContact NH1-OE2 3.06Å; R175-E198 IonicContact NH2-OE1 3.57Å; R175-E198 PolarHBondContact NH2-OE1 2.91Å; R175-E198 VanDerWaalsContact NH2-OE1 3.12Å; R175-E198 IonicContact NH2-OE2 2.73Å; R175-E198 PolarHBondContact NH2-OE2 3.25Å |
| 176 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 171 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | W172 E173 S174 H178 I179 I180 L195 L224 Y227 L228 | W172-V176 PolarHBondContact O-N 3.17Å; E173-V176 WeakPolarHBondContact O-CB 3.34Å; E173-V176 PolarHBondContact O-N 3.23Å; E173-V176 VanDerWaalsContact O-N 3.15Å; S174-V176 VanDerWaalsContact C-N 3.35Å; V176-H178 VanDerWaalsContact C-N 3.33Å; V176-H178 PolarHBondContact O-N 2.74Å; V176-I179 WeakPolarHBondContact O-CB 3.39Å; V176-I179 PolarHBondContact O-N 2.89Å; V176-I179 VanDerWaalsContact O-N 3.14Å; V176-I180 HydrophobicContact CG1-CG1 4.14Å; V176-I180 VanDerWaalsContact O-CG1 3.31Å; V176-I180 WeakPolarHBondContact O-CG1 3.49Å; V176-I180 PolarHBondContact O-N 3.18Å; V176-L195 HydrophobicContact CG2-CD2 4Å; V176-L224 HydrophobicContact CG2-CD1 3.78Å; V176-L224 HydrophobicContact CG2-CG 4.42Å; V176-Y227 HydrophobicContact CB-CD1 4.18Å; V176-Y227 HydrophobicContact CB-CE1 4.21Å; V176-Y227 HydrophobicContact CG1-CD1 3.84Å; V176-Y227 HydrophobicContact CG1-CE1 3.89Å; V176-L228 HydrophobicContact CG1-CB 4.23Å; V176-L228 HydrophobicContact CG1-CD1 3.86Å; V176-L228 HydrophobicContact CG2-CB 4.28Å; V176-L228 HydrophobicContact CG2-CD1 4.45Å |
| 177 | E | 98.6 | Very high | 97.2 | Very high | 55 Ų | 55 | 55 Ų | 55 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -39 | 178.2 | -68.8 | -50.3 | 115 | 0 | 0 | 113.1 | E173 S174 I180 S181 Y227 R231 | E173-E177 WeakPolarHBondContact O-CG 3.34Å; E173-E177 PolarHBondContact O-N 3.4Å; S174-E177 PolarHBondContact O-N 3.06Å; E177-I180 PolarHBondContact O-N 3.03Å; E177-S181 VanDerWaalsContact O-CB 3.31Å; E177-S181 WeakPolarHBondContact O-CB 3.36Å; E177-S181 PolarHBondContact O-N 3.29Å; E177-S181 PolarHBondContact O-OG 3.47Å; E177-Y227 WeakPolarHBondContact OE1-CE1 3.28Å; E177-Y227 PolarHBondContact OE1-OH 3.43Å; E177-R231 IonicContact OE1-CZ 3.88Å; E177-R231 IonicContact OE1-NE 2.76Å; E177-R231 IonicContact OE1-NH1 3.28Å; E177-R231 PolarHBondContact OE1-NH1 3.21Å; E177-R231 IonicContact OE2-CZ 2.86Å; E177-R231 IonicContact OE2-NH1 3.67Å; E177-R231 PolarHBondContact OE2-NH1 2.91Å; E177-R231 IonicContact OE2-NH2 3.12Å; E177-R231 PolarHBondContact OE2-NH2 3.31Å |
| 178 | H | 98.5 | Very high | 97.3 | Very high | 60 Ų | 60 | 56.8 Ų | 56.8 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.6 | -51.3 | 171.9 | -74.4 | -55.6 | 0 | 0 | 0 | 111.3 | S174 R175 V176 I180 S181 W182 | S174-H178 PolarHBondContact O-CD2 2.88Å; S174-H178 PolarHBondContact O-N 3.15Å; R175-H178 PolarHBondContact O-N 2.86Å; V176-H178 VanDerWaalsContact C-N 3.33Å; V176-H178 PolarHBondContact O-N 2.74Å; H178-I180 VanDerWaalsContact C-N 3.35Å; H178-I180 PolarHBondContact O-N 3.47Å; H178-S181 PolarHBondContact O-N 2.92Å; H178-S181 PolarHBondContact O-OG 3.14Å; H178-W182 HydrophobicContact CB-CD2 4.45Å; H178-W182 HydrophobicContact CB-CH2 3.93Å; H178-W182 HydrophobicContact CB-CZ2 3.77Å; H178-W182 HydrophobicContact CB-CZ3 4.32Å; H178-W182 PolarHBondContact O-N 2.8Å |
| 179 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.3 | -48.6 | 178.4 | -66 | -70.7 | 0 | 0 | 0 | 111.4 | L36 A146 R175 V176 S181 W182 F183 L194 L195 | L36-I179 HydrophobicContact CD1-CD1 4.31Å; L36-I179 HydrophobicContact CD1-CG2 3.8Å; L36-I179 HydrophobicContact CD2-CG2 4.12Å; A146-I179 HydrophobicContact CB-CD1 4.15Å; A146-I179 HydrophobicContact CB-CG1 4.32Å; R175-I179 WeakPolarHBondContact O-CG1 3.48Å; R175-I179 PolarHBondContact O-N 2.99Å; V176-I179 WeakPolarHBondContact O-CB 3.39Å; V176-I179 PolarHBondContact O-N 2.89Å; V176-I179 VanDerWaalsContact O-N 3.14Å; I179-S181 PolarHBondContact O-N 3.41Å; I179-W182 HydrophobicContact CD1-CE3 3.89Å; I179-W182 HydrophobicContact CD1-CZ3 3.79Å; I179-W182 PolarHBondContact O-N 2.83Å; I179-F183 HydrophobicContact CG2-CD2 3.76Å; I179-F183 HydrophobicContact CG2-CE2 3.63Å; I179-F183 VanDerWaalsContact O-CD2 3.26Å; I179-F183 WeakPolarHBondContact O-CD2 3.32Å; I179-F183 PolarHBondContact O-N 3.35Å; I179-L194 WeakPolarHBondContact CD1-O 3.27Å; I179-L195 HydrophobicContact CD1-CB 4.42Å; I179-L195 HydrophobicContact CG1-CB 4.3Å; I179-L195 HydrophobicContact CG1-CD1 4.35Å |
| 180 | I | 98.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -47.6 | 179 | -63.6 | -68.5 | 0 | 0 | 0 | 110.3 | V176 E177 H178 W182 F183 L184 R231 L232 E235 | V176-I180 HydrophobicContact CG1-CG1 4.14Å; V176-I180 VanDerWaalsContact O-CG1 3.31Å; V176-I180 WeakPolarHBondContact O-CG1 3.49Å; V176-I180 PolarHBondContact O-N 3.18Å; E177-I180 PolarHBondContact O-N 3.03Å; H178-I180 VanDerWaalsContact C-N 3.35Å; H178-I180 PolarHBondContact O-N 3.47Å; I180-W182 VanDerWaalsContact C-N 3.26Å; I180-W182 PolarHBondContact O-N 3.35Å; I180-F183 PolarHBondContact O-N 2.87Å; I180-L184 HydrophobicContact CG2-CD1 3.89Å; I180-L184 WeakPolarHBondContact O-CG 3.11Å; I180-L184 PolarHBondContact O-N 3Å; I180-L184 VanDerWaalsContact O-N 3.11Å; I180-R231 HydrophobicContact CD1-CB 3.8Å; I180-R231 HydrophobicContact CG1-CB 3.92Å; I180-L232 HydrophobicContact CD1-CD2 3.53Å; I180-L232 HydrophobicContact CD1-CG 3.84Å; I180-E235 HydrophobicContact CG2-CG 3.93Å |
| 181 | S | 98.6 | Very high | 97.9 | Very high | 57 Ų | 57 | 43.4 Ų | 43.4 | 40% | 0.399 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.9 | -35.6 | 179 | 78.5 | 0 | 0 | 0 | 0 | 112.8 | E177 H178 I179 L184 H185 | E177-S181 VanDerWaalsContact O-CB 3.31Å; E177-S181 WeakPolarHBondContact O-CB 3.36Å; E177-S181 PolarHBondContact O-N 3.29Å; E177-S181 PolarHBondContact O-OG 3.47Å; H178-S181 PolarHBondContact O-N 2.92Å; H178-S181 PolarHBondContact O-OG 3.14Å; I179-S181 PolarHBondContact O-N 3.41Å; S181-L184 CarbonylContact O-C 3.29Å; S181-L184 PolarHBondContact O-N 2.9Å; S181-H185 PolarHBondContact O-N 3.1Å |
| 182 | W | 98.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 40.5 Ų | 40.5 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -75.1 | -36.1 | 179.5 | -61.2 | -25.2 | 0 | 0 | 0 | 112.5 | C145 A146 H162 V164 H178 I179 I180 L184 H185 P189 I190 | C145-W182 WeakPolarHBondContact O-CH2 3.3Å; A146-W182 HydrophobicContact CB-CH2 4.34Å; A146-W182 HydrophobicContact CB-CZ3 4.22Å; H162-W182 HydrophobicContact CB-CB 4.4Å; H162-W182 HydrophobicContact CB-CD2 3.58Å; H162-W182 HydrophobicContact CB-CE3 4.23Å; H162-W182 HydrophobicContact CB-CG 3.64Å; H162-W182 HydrophobicContact CB-CZ2 4.14Å; H162-W182 AromaticContact CG-CD1 3.65Å; H162-W182 AromaticContact CG-CG 3.86Å; H162-W182 AromaticContact CG-NE1 4Å; H162-W182 AromaticContact ND1-CD1 3.9Å; V164-W182 HydrophobicContact CG1-CH2 4.31Å; V164-W182 HydrophobicContact CG1-CZ2 4.05Å; V164-W182 HydrophobicContact CG2-CH2 4.21Å; H178-W182 HydrophobicContact CB-CD2 4.45Å; H178-W182 HydrophobicContact CB-CH2 3.93Å; H178-W182 HydrophobicContact CB-CZ2 3.77Å; H178-W182 HydrophobicContact CB-CZ3 4.32Å; H178-W182 PolarHBondContact O-N 2.8Å; I179-W182 HydrophobicContact CD1-CE3 3.89Å; I179-W182 HydrophobicContact CD1-CZ3 3.79Å; I179-W182 PolarHBondContact O-N 2.83Å; I180-W182 VanDerWaalsContact C-N 3.26Å; I180-W182 PolarHBondContact O-N 3.35Å; W182-L184 PolarHBondContact O-N 3.12Å; W182-H185 WeakPolarHBondContact O-CB 3.14Å; W182-H185 PolarHBondContact O-N 3.17Å; W182-P189 WeakPolarHBondContact O-CA 3.43Å; W182-I190 HydrophobicContact CB-CD1 3.72Å; W182-I190 HydrophobicContact CB-CG1 4.06Å; W182-I190 HydrophobicContact CB-CG2 3.95Å; W182-I190 HydrophobicContact CE3-CD1 4.47Å; W182-I190 PolarHBondContact O-N 3.5Å |
| 183 | F | 98 | Very high | 97.9 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 5% | 0.048 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.7 | -30.2 | 171.8 | -84.7 | -69.8 | 0 | 0 | 0 | 111.8 | L34 L36 I179 I180 P189 I190 L237 M241 | L34-F183 HydrophobicContact CB-CE1 4.31Å; L34-F183 HydrophobicContact CD2-CD1 4.39Å; L34-F183 HydrophobicContact CD2-CE1 4.33Å; L36-F183 HydrophobicContact CB-CE2 4.41Å; L36-F183 HydrophobicContact CB-CZ 4.39Å; L36-F183 HydrophobicContact CD1-CE2 4.42Å; I179-F183 HydrophobicContact CG2-CD2 3.76Å; I179-F183 HydrophobicContact CG2-CE2 3.63Å; I179-F183 VanDerWaalsContact O-CD2 3.26Å; I179-F183 WeakPolarHBondContact O-CD2 3.32Å; I179-F183 PolarHBondContact O-N 3.35Å; I180-F183 PolarHBondContact O-N 2.87Å; F183-P189 WeakPolarHBondContact O-CB 3.49Å; F183-I190 HydrophobicContact CB-CG1 4.32Å; F183-I190 HydrophobicContact CD1-CD1 4.25Å; F183-I190 HydrophobicContact CD1-CG1 3.54Å; F183-I190 WeakPolarHBondContact CD1-O 2.9Å; F183-I190 HydrophobicContact CD2-CD1 3.81Å; F183-I190 HydrophobicContact CD2-CG1 3.97Å; F183-I190 HydrophobicContact CE1-CD1 4.18Å; F183-I190 HydrophobicContact CE1-CG1 3.7Å; F183-I190 HydrophobicContact CE2-CD1 3.74Å; F183-I190 HydrophobicContact CE2-CG1 4.12Å; F183-I190 HydrophobicContact CG-CD1 4.05Å; F183-I190 HydrophobicContact CG-CG1 3.67Å; F183-I190 HydrophobicContact CZ-CD1 3.92Å; F183-I190 HydrophobicContact CZ-CG1 3.98Å; F183-L237 HydrophobicContact CB-CD1 3.77Å; F183-L237 HydrophobicContact CG-CD1 4.43Å; F183-M241 HydrophobicContact CD1-CE 3.74Å; F183-M241 HydrophobicContact CD2-CE 3.79Å; F183-M241 HydrophobicContact CE1-CE 3.55Å; F183-M241 HydrophobicContact CE1-SD 3.85Å; F183-M241 HydrophobicContact CE2-CE 3.59Å; F183-M241 HydrophobicContact CE2-SD 4.25Å; F183-M241 HydrophobicContact CG-CE 3.88Å; F183-M241 HydrophobicContact CZ-CE 3.48Å; F183-M241 VanDerWaalsContact CZ-CE 3.48Å; F183-M241 HydrophobicContact CZ-SD 3.67Å |
| 184 | L | 97 | Very high | 98 | Very high | 72 Ų | 72 | 36.5 Ų | 36.5 | 38% | 0.377 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 1.7 | 179.2 | -61.1 | 174.6 | 0 | 0 | 0 | 113.9 | I180 S181 W182 E235 L237 | I180-L184 HydrophobicContact CG2-CD1 3.89Å; I180-L184 WeakPolarHBondContact O-CG 3.11Å; I180-L184 PolarHBondContact O-N 3Å; I180-L184 VanDerWaalsContact O-N 3.11Å; S181-L184 CarbonylContact O-C 3.29Å; S181-L184 PolarHBondContact O-N 2.9Å; W182-L184 PolarHBondContact O-N 3.12Å; L184-E235 HydrophobicContact CD1-CB 4Å; L184-E235 HydrophobicContact CD1-CG 3.72Å; L184-E235 WeakPolarHBondContact CD1-OE2 3.28Å; L184-E235 HydrophobicContact CD2-CB 4.3Å; L184-L237 HydrophobicContact CD2-CD1 4.13Å; L184-L237 HydrophobicContact CD2-CG 4.47Å; L184-L237 HydrophobicContact CG-CD1 4.39Å |
| 185 | H | 97.9 | Very high | 98 | Very high | 56 Ų | 56 | 34.4 Ų | 34.4 | 26% | 0.259 | 18% | 0.178 | S | C | . | . | trans | -58.7 | 129 | -173.2 | -175 | -62.8 | 0 | 0 | 0 | 110.5 | H162 S181 W182 E187 K188 P189 | H162-H185 AromaticContact CE1-CD2 3.24Å; H162-H185 PolarHBondContact CE1-CD2 2.86Å; H162-H185 AromaticContact CE1-CG 3.8Å; H162-H185 AromaticContact CE1-NE2 3.66Å; H162-H185 AromaticContact NE2-CD2 3.79Å; H162-H185 AromaticContact NE2-CG 3.9Å; S181-H185 PolarHBondContact O-N 3.1Å; W182-H185 WeakPolarHBondContact O-CB 3.14Å; W182-H185 PolarHBondContact O-N 3.17Å; H185-E187 PolarHBondContact ND1-N 3.07Å; H185-E187 VanDerWaalsContact ND1-N 3.16Å; H185-E187 PolarHBondContact O-N 2.97Å; H185-K188 PolarHBondContact ND1-N 2.84Å; H185-P189 WeakPolarHBondContact O-CA 3.42Å; H185-P189 VanDerWaalsContact O-CB 3.23Å; H185-P189 WeakPolarHBondContact O-CB 3.33Å; H185-P189 WeakPolarHBondContact O-CD 3.23Å | ||
| 186 | P | 95.1 | Very high | 98 | Very high | 117 Ų | 117 | 34.8 Ų | 34.8 | 76% | 0.76 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -64.4 | -37.7 | -168.5 | 21.8 | -33.7 | 0 | 0 | 0 | 114.3 | ||
| 187 | E | 95.5 | Very high | 98 | Very high | 150 Ų | 150 | 34.8 Ų | 34.8 | 70% | 0.701 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -99.5 | -44.7 | -177.1 | -58.4 | -177.1 | 174.5 | 0 | 0 | 113.8 | H185 P189 | H185-E187 PolarHBondContact ND1-N 3.07Å; H185-E187 VanDerWaalsContact ND1-N 3.16Å; H185-E187 PolarHBondContact O-N 2.97Å; E187-P189 WeakPolarHBondContact O-CD 3.24Å |
| 188 | K | 96.7 | Very high | 98 | Very high | 101 Ų | 101 | 33.3 Ų | 33.3 | 44% | 0.439 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -119.6 | 59.6 | -178 | -57.1 | -173.8 | -176.8 | 178.1 | 0 | 112.6 | F142 T161 H162 H185 I190 | F142-K188 HydrophobicContact CD1-CB 4.05Å; F142-K188 HydrophobicContact CD1-CD 4.41Å; F142-K188 HydrophobicContact CD1-CG 4.32Å; F142-K188 HydrophobicContact CD2-CB 3.98Å; F142-K188 HydrophobicContact CE1-CB 4.09Å; F142-K188 HydrophobicContact CE1-CD 4.11Å; F142-K188 HydrophobicContact CE1-CG 3.91Å; F142-K188 HydrophobicContact CE2-CB 4.03Å; F142-K188 HydrophobicContact CE2-CG 4.3Å; F142-K188 HydrophobicContact CG-CB 3.99Å; F142-K188 HydrophobicContact CZ-CB 4.08Å; F142-K188 HydrophobicContact CZ-CG 3.89Å; T161-K188 HydrophobicContact CG2-CB 3.92Å; T161-K188 HydrophobicContact CG2-CD 3.58Å; T161-K188 HydrophobicContact CG2-CG 4.4Å; H162-K188 PolarHBondContact NE2-O 3.41Å; H185-K188 PolarHBondContact ND1-N 2.84Å; K188-I190 PolarHBondContact O-N 3.41Å |
| 189 | P | 97.3 | Very high | 98 | Very high | 18 Ų | 18 | 31.5 Ų | 31.5 | 12% | 0.117 | 16% | 0.164 | C | C | . | . | trans | -67.4 | 128.2 | 178.6 | 28.4 | -33.3 | 0 | 0 | 0 | 110.4 | F29 F142 W182 F183 H185 E187 | F29-P189 HydrophobicContact CD1-CG 3.22Å; F29-P189 VanDerWaalsContact CE1-CD 3.49Å; F29-P189 HydrophobicContact CE1-CG 3.32Å; F29-P189 HydrophobicContact CG-CG 4Å; F29-P189 HydrophobicContact CZ-CG 4.1Å; F142-P189 WeakPolarHBondContact CD2-O 3.44Å; W182-P189 WeakPolarHBondContact O-CA 3.43Å; F183-P189 WeakPolarHBondContact O-CB 3.49Å; H185-P189 WeakPolarHBondContact O-CA 3.42Å; H185-P189 VanDerWaalsContact O-CB 3.23Å; H185-P189 WeakPolarHBondContact O-CB 3.33Å; H185-P189 WeakPolarHBondContact O-CD 3.23Å; E187-P189 WeakPolarHBondContact O-CD 3.24Å | ||
| 190 | I | 98.2 | Very high | 98 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | trans | -68.3 | 147.6 | 179.6 | 70.9 | 178.1 | 0 | 0 | 0 | 110.8 | F142 S143 H162 W182 F183 K188 | F142-I190 HydrophobicContact CB-CG2 4.25Å; F142-I190 VanDerWaalsContact O-CA 3.26Å; F142-I190 WeakPolarHBondContact O-CA 3.28Å; F142-I190 WeakPolarHBondContact O-CB 3.41Å; S143-I190 VanDerWaalsContact C-CG2 3.49Å; H162-I190 VanDerWaalsContact CD2-CG2 3.48Å; H162-I190 WeakPolarHBondContact CD2-CG2 3.33Å; W182-I190 HydrophobicContact CB-CD1 3.72Å; W182-I190 HydrophobicContact CB-CG1 4.06Å; W182-I190 HydrophobicContact CB-CG2 3.95Å; W182-I190 HydrophobicContact CE3-CD1 4.47Å; W182-I190 PolarHBondContact O-N 3.5Å; F183-I190 HydrophobicContact CB-CG1 4.32Å; F183-I190 HydrophobicContact CD1-CD1 4.25Å; F183-I190 HydrophobicContact CD1-CG1 3.54Å; F183-I190 WeakPolarHBondContact CD1-O 2.9Å; F183-I190 HydrophobicContact CD2-CD1 3.81Å; F183-I190 HydrophobicContact CD2-CG1 3.97Å; F183-I190 HydrophobicContact CE1-CD1 4.18Å; F183-I190 HydrophobicContact CE1-CG1 3.7Å; F183-I190 HydrophobicContact CE2-CD1 3.74Å; F183-I190 HydrophobicContact CE2-CG1 4.12Å; F183-I190 HydrophobicContact CG-CD1 4.05Å; F183-I190 HydrophobicContact CG-CG1 3.67Å; F183-I190 HydrophobicContact CZ-CD1 3.92Å; F183-I190 HydrophobicContact CZ-CG1 3.98Å; K188-I190 PolarHBondContact O-N 3.41Å | ||
| 191 | N | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -110.9 | -7.7 | 166.3 | 68.1 | -81.9 | 0 | 0 | 0 | 112.2 | L34 L35 N134 R141 F142 | L34-N191 WeakPolarHBondContact CA-O 3.44Å; L34-N191 HydrophobicContact CD2-CB 4Å; L35-N191 PolarHBondContact N-O 2.98Å; N134-N191 PolarHBondContact ND2-OD1 3.4Å; N134-N191 PolarHBondContact OD1-ND2 3.32Å; R141-N191 VanDerWaalsContact CA-OD1 3.27Å; R141-N191 WeakPolarHBondContact CA-OD1 3.45Å; R141-N191 WeakPolarHBondContact CB-OD1 3.28Å; F142-N191 PolarHBondContact N-OD1 3.11Å; F142-N191 PolarHBondContact O-N 2.85Å; F142-N191 PolarHBondContact O-OD1 3.36Å |
| 192 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 123.5 | 175.6 | 177.7 | -133.2 | 0 | 0 | 0 | 109.8 | L35 L37 L130 N134 S143 G144 L194 I392 L396 | L35-F192 HydrophobicContact CB-CD2 4.37Å; L35-F192 HydrophobicContact CD2-CD2 3.68Å; L35-F192 HydrophobicContact CD2-CE2 3.54Å; L35-F192 CarbonylContact O-C 3.54Å; L35-F192 VanDerWaalsContact O-CA 3.31Å; L35-F192 WeakPolarHBondContact O-CA 3.27Å; L37-F192 HydrophobicContact CB-CE2 4.35Å; L130-F192 HydrophobicContact CB-CD1 4.43Å; L130-F192 HydrophobicContact CB-CE1 3.5Å; L130-F192 VanDerWaalsContact CB-CE1 3.5Å; L130-F192 HydrophobicContact CB-CZ 3.86Å; L130-F192 HydrophobicContact CD1-CZ 4.03Å; N134-F192 HydrophobicContact CB-CD1 4.49Å; S143-F192 CarbonylContact C-O 3.4Å; S143-F192 VanDerWaalsContact CA-O 3.31Å; S143-F192 WeakPolarHBondContact CA-O 3.29Å; G144-F192 PolarHBondContact N-O 3.24Å; F192-L194 HydrophobicContact CE1-CD1 3.79Å; F192-L194 HydrophobicContact CE1-CG 4.11Å; F192-L194 HydrophobicContact CE2-CD2 4.49Å; F192-L194 HydrophobicContact CE2-CG 4.35Å; F192-L194 HydrophobicContact CZ-CD1 3.96Å; F192-L194 HydrophobicContact CZ-CD2 3.86Å; F192-L194 HydrophobicContact CZ-CG 3.79Å; F192-I392 HydrophobicContact CE2-CG2 4.17Å; F192-I392 HydrophobicContact CZ-CG2 4.5Å; F192-L396 HydrophobicContact CB-CD1 3.81Å; F192-L396 HydrophobicContact CD1-CD1 4.46Å; F192-L396 HydrophobicContact CD2-CD1 3.81Å; F192-L396 HydrophobicContact CG-CD1 3.77Å |
| 193 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 145.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | L35 L36 L37 G144 | L35-G193 PolarHBondContact O-N 3.39Å; L36-G193 WeakPolarHBondContact CA-O 3.24Å; L37-G193 PolarHBondContact N-O 3.06Å; G144-G193 CarbonylContact O-C 3.55Å; G144-G193 VanDerWaalsContact O-CA 3.32Å; G144-G193 WeakPolarHBondContact O-CA 3.5Å |
| 194 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126 | 174 | -70 | 145.4 | 0 | 0 | 0 | 108.9 | L37 V87 W131 G144 C145 A146 W148 I179 F192 | L37-L194 HydrophobicContact CB-CD2 4.05Å; L37-L194 HydrophobicContact CD2-CD2 3.71Å; L37-L194 HydrophobicContact CG-CD2 4.24Å; L37-L194 CarbonylContact O-C 3.51Å; L37-L194 WeakPolarHBondContact O-CA 3.33Å; V87-L194 HydrophobicContact CG1-CD2 3.84Å; W131-L194 HydrophobicContact CD2-CD1 4.47Å; W131-L194 HydrophobicContact CE3-CD1 3.55Å; W131-L194 HydrophobicContact CZ3-CD1 4.1Å; G144-L194 PolarHBondContact O-N 3.32Å; C145-L194 HydrophobicContact CB-CB 4.41Å; C145-L194 HydrophobicContact CB-CD1 4.45Å; A146-L194 PolarHBondContact N-O 3.29Å; W148-L194 HydrophobicContact CB-CB 4.19Å; W148-L194 HydrophobicContact CD2-CB 4.32Å; W148-L194 HydrophobicContact CD2-CD2 3.69Å; W148-L194 HydrophobicContact CE3-CB 4Å; W148-L194 HydrophobicContact CE3-CD2 3.72Å; W148-L194 HydrophobicContact CG-CB 4.43Å; W148-L194 HydrophobicContact CG-CD2 4.17Å; W148-L194 HydrophobicContact CH2-CD2 4.3Å; W148-L194 HydrophobicContact CZ2-CD2 4.28Å; W148-L194 HydrophobicContact CZ3-CD2 4.02Å; I179-L194 WeakPolarHBondContact CD1-O 3.27Å; F192-L194 HydrophobicContact CE1-CD1 3.79Å; F192-L194 HydrophobicContact CE1-CG 4.11Å; F192-L194 HydrophobicContact CE2-CD2 4.49Å; F192-L194 HydrophobicContact CE2-CG 4.35Å; F192-L194 HydrophobicContact CZ-CD1 3.96Å; F192-L194 HydrophobicContact CZ-CD2 3.86Å; F192-L194 HydrophobicContact CZ-CG 3.79Å |
| 195 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 121.9 | 177.9 | 174.9 | 61.6 | 0 | 0 | 0 | 109.6 | L36 L37 V38 S39 A146 R175 V176 I179 I197 L228 | L36-L195 HydrophobicContact CD1-CB 4.32Å; L37-L195 PolarHBondContact O-N 2.77Å; V38-L195 CarbonylContact C-O 3.57Å; V38-L195 WeakPolarHBondContact CA-O 3.29Å; V38-L195 HydrophobicContact CG1-CD2 4.16Å; V38-L195 HydrophobicContact CG1-CG 4.38Å; V38-L195 HydrophobicContact CG2-CB 4.38Å; V38-L195 HydrophobicContact CG2-CD2 4.37Å; S39-L195 PolarHBondContact N-O 2.67Å; A146-L195 HydrophobicContact CB-CD1 4.03Å; R175-L195 HydrophobicContact CB-CD1 3.69Å; V176-L195 HydrophobicContact CG2-CD2 4Å; I179-L195 HydrophobicContact CD1-CB 4.42Å; I179-L195 HydrophobicContact CG1-CB 4.3Å; I179-L195 HydrophobicContact CG1-CD1 4.35Å; L195-I197 HydrophobicContact CD1-CD1 4.23Å; L195-L228 HydrophobicContact CD2-CD2 4.5Å |
| 196 | Y | 98.7 | Very high | 97.6 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.6 | 176.9 | 166.6 | -89.2 | 0 | 0 | 0 | 111.4 | D41 H83 A146 M147 Y166 R175 E198 | D41-Y196 HydrophobicContact CB-CE2 3.79Å; D41-Y196 WeakPolarHBondContact OD2-CE2 3.31Å; D41-Y196 PolarHBondContact OD2-OH 3.36Å; H83-Y196 AromaticContact CE1-CD2 3.79Å; H83-Y196 AromaticContact CE1-CE2 3.51Å; H83-Y196 AromaticContact NE2-CD2 3.57Å; H83-Y196 AromaticContact NE2-CE2 3.78Å; A146-Y196 PolarHBondContact O-N 3.3Å; A146-Y196 VanDerWaalsContact O-N 3.13Å; M147-Y196 HydrophobicContact CB-CD1 4.18Å; M147-Y196 WeakPolarHBondContact O-CB 3.32Å; M147-Y196 VanDerWaalsContact O-CD1 3.27Å; M147-Y196 WeakPolarHBondContact O-CD1 3.49Å; Y166-Y196 HydrophobicContact CD2-CE1 4.31Å; Y166-Y196 AromaticContact CE2-CE1 3.97Å; Y166-Y196 HydrophobicContact CE2-CE1 3.97Å; R175-Y196 PolarHBondContact NH1-O 2.67Å; Y196-E198 HydrophobicContact CE1-CB 4.12Å |
| 197 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 130 | 171.7 | -52.1 | -61 | 0 | 0 | 0 | 109.1 | S39 Y40 D41 W172 L195 E199 L221 L224 | S39-I197 PolarHBondContact O-N 3.29Å; Y40-I197 HydrophobicContact CD1-CB 3.83Å; Y40-I197 HydrophobicContact CD1-CG1 3.82Å; Y40-I197 HydrophobicContact CE1-CB 4.25Å; Y40-I197 HydrophobicContact CE1-CG1 3.73Å; D41-I197 WeakPolarHBondContact CB-O 3.41Å; D41-I197 PolarHBondContact N-O 3.22Å; W172-I197 HydrophobicContact CB-CD1 3.91Å; W172-I197 HydrophobicContact CD2-CG2 3.88Å; W172-I197 HydrophobicContact CG-CD1 3.92Å; W172-I197 HydrophobicContact CG-CG2 4.08Å; W172-I197 HydrophobicContact CZ2-CG2 4.06Å; L195-I197 HydrophobicContact CD1-CD1 4.23Å; I197-E199 HydrophobicContact CG2-CB 4.41Å; I197-E199 PolarHBondContact O-N 2.78Å; I197-E199 VanDerWaalsContact O-N 3.12Å; I197-L221 HydrophobicContact CG2-CD2 3.91Å; I197-L224 HydrophobicContact CD1-CD2 3.95Å; I197-L224 HydrophobicContact CG1-CD2 3.79Å |
| 198 | E | 97.9 | Very high | 97.7 | Very high | 24 Ų | 24 | 22.8 Ų | 22.8 | 11% | 0.112 | 12% | 0.115 | C | C | . | . | trans | -72.4 | 6.8 | -177 | 63.2 | -78.8 | 166.7 | 0 | 0 | 116.3 | W172 R175 Y196 A202 | W172-E198 PolarHBondContact NE1-OE1 3.11Å; R175-E198 IonicContact CZ-OE1 3.53Å; R175-E198 IonicContact CZ-OE2 3.2Å; R175-E198 IonicContact NH1-OE2 3.61Å; R175-E198 PolarHBondContact NH1-OE2 3.06Å; R175-E198 IonicContact NH2-OE1 3.57Å; R175-E198 PolarHBondContact NH2-OE1 2.91Å; R175-E198 VanDerWaalsContact NH2-OE1 3.12Å; R175-E198 IonicContact NH2-OE2 2.73Å; R175-E198 PolarHBondContact NH2-OE2 3.25Å; Y196-E198 HydrophobicContact CE1-CB 4.12Å; E198-A202 PolarHBondContact O-N 2.79Å; E198-A202 VanDerWaalsContact O-N 3.15Å | ||
| 199 | E | 98.6 | Very high | 97.8 | Very high | 22 Ų | 22 | 18 Ų | 18 | 10% | 0.103 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 150.5 | 179.3 | -73.5 | -72 | -171.9 | 0 | 0 | 110.2 | Y40 D41 W172 I197 T203 V217 L221 | Y40-E199 CarbonylContact C-O 3.57Å; Y40-E199 WeakPolarHBondContact CB-O 3.46Å; D41-E199 PolarHBondContact N-O 2.75Å; D41-E199 CarbonylContact O-C 3.46Å; D41-E199 VanDerWaalsContact O-C 3.23Å; W172-E199 HydrophobicContact CH2-CB 3.96Å; W172-E199 HydrophobicContact CH2-CG 3.77Å; W172-E199 HydrophobicContact CZ2-CB 3.94Å; W172-E199 HydrophobicContact CZ2-CG 3.47Å; W172-E199 VanDerWaalsContact CZ2-CG 3.47Å; I197-E199 HydrophobicContact CG2-CB 4.41Å; I197-E199 PolarHBondContact O-N 2.78Å; I197-E199 VanDerWaalsContact O-N 3.12Å; E199-T203 VanDerWaalsContact CD-OG1 3.22Å; E199-T203 PolarHBondContact OE1-OG1 2.96Å; E199-T203 WeakPolarHBondContact OE2-CB 3.41Å; E199-T203 PolarHBondContact OE2-N 3.04Å; E199-T203 PolarHBondContact OE2-OG1 3.24Å; E199-V217 HydrophobicContact CB-CG2 3.8Å; E199-V217 HydrophobicContact CG-CG2 3.86Å; E199-L221 HydrophobicContact CB-CD1 4.37Å; E199-L221 HydrophobicContact CB-CD2 4.46Å; E199-L221 WeakPolarHBondContact O-CD1 3.43Å |
| 200 | P | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -83.3 | 4.4 | 8.5 | 35.1 | -39.9 | 0 | 0 | 0 | 116.5 | D41 F43 Y47 A202 T203 G204 V217 | D41-P200 WeakPolarHBondContact O-CD 3.36Å; D41-P200 VanDerWaalsContact O-N 3.08Å; F43-P200 HydrophobicContact CB-CG 4.13Å; F43-P200 HydrophobicContact CD2-CG 4.4Å; F43-P200 HydrophobicContact CG-CG 4.38Å; Y47-P200 HydrophobicContact CD2-CG 3.74Å; Y47-P200 HydrophobicContact CE2-CB 4.24Å; Y47-P200 HydrophobicContact CE2-CG 3.57Å; P200-A202 PolarHBondContact O-N 3.3Å; P200-T203 PolarHBondContact O-N 3Å; P200-G204 PolarHBondContact O-N 3.43Å; P200-V217 HydrophobicContact CB-CG1 3.65Å |
| 201 | D | 98.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 24.5 Ų | 24.5 | 9% | 0.086 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -53.4 | -52.8 | -176.4 | -176.4 | 68.5 | 0 | 0 | 0 | 113.5 | D41 T203 G204 H205 H249 M251 H354 | D41-D201 HydrophobicContact CB-CB 3.99Å; D41-D201 WeakPolarHBondContact O-CB 3.48Å; D41-D201 PolarHBondContact O-N 3.49Å; D41-D201 WeakPolarHBondContact OD1-CB 3.49Å; D201-T203 VanDerWaalsContact C-N 3.25Å; D201-T203 PolarHBondContact O-N 2.83Å; D201-G204 CarbonylContact O-C 3.58Å; D201-G204 WeakPolarHBondContact O-CA 3.41Å; D201-G204 PolarHBondContact O-N 3.24Å; D201-H205 PolarHBondContact O-N 3.33Å; D201-H205 IonicContact OD1-CD2 3.39Å; D201-H205 IonicContact OD1-NE2 3.17Å; D201-H205 IonicContact OD2-CD2 2.8Å; D201-H205 PolarHBondContact OD2-CD2 2.79Å; D201-H205 IonicContact OD2-NE2 3.64Å; D201-H249 IonicContact OD1-CE1 2.79Å; D201-H249 PolarHBondContact OD1-CE1 3.28Å; D201-M251 WeakPolarHBondContact OD1-CE 3.39Å; D201-H354 IonicContact OD1-CD2 3.2Å; D201-H354 IonicContact OD1-NE2 2.68Å |
| 202 | A | 96.9 | Very high | 97.7 | Very high | 30 Ų | 30 | 28.8 Ų | 28.8 | 25% | 0.248 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.1 | -35 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E198 P200 K206 | E198-A202 PolarHBondContact O-N 2.79Å; E198-A202 VanDerWaalsContact O-N 3.15Å; P200-A202 PolarHBondContact O-N 3.3Å; A202-K206 WeakPolarHBondContact O-CD 3.45Å; A202-K206 WeakPolarHBondContact O-CE 3.44Å |
| 203 | T | 97.7 | Very high | 97.6 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 13% | 0.129 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.7 | -44.1 | 170.7 | -62.4 | 0 | 0 | 0 | 0 | 111 | E199 P200 D201 H205 K206 V207 Q213 I214 | E199-T203 VanDerWaalsContact CD-OG1 3.22Å; E199-T203 PolarHBondContact OE1-OG1 2.96Å; E199-T203 WeakPolarHBondContact OE2-CB 3.41Å; E199-T203 PolarHBondContact OE2-N 3.04Å; E199-T203 PolarHBondContact OE2-OG1 3.24Å; P200-T203 PolarHBondContact O-N 3Å; D201-T203 VanDerWaalsContact C-N 3.25Å; D201-T203 PolarHBondContact O-N 2.83Å; T203-H205 VanDerWaalsContact C-N 3.32Å; T203-H205 PolarHBondContact O-N 3.11Å; T203-K206 WeakPolarHBondContact O-CB 3.32Å; T203-K206 PolarHBondContact O-N 2.74Å; T203-V207 HydrophobicContact CG2-CG2 3.86Å; T203-V207 WeakPolarHBondContact O-CG2 3.37Å; T203-V207 PolarHBondContact O-N 2.94Å; T203-V207 VanDerWaalsContact O-N 3.12Å; T203-Q213 HydrophobicContact CG2-CB 4.21Å; T203-I214 HydrophobicContact CG2-CD1 3.81Å |
| 204 | G | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -51.2 | -45.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P200 D201 K206 V207 G208 G352 | P200-G204 PolarHBondContact O-N 3.43Å; D201-G204 CarbonylContact O-C 3.58Å; D201-G204 WeakPolarHBondContact O-CA 3.41Å; D201-G204 PolarHBondContact O-N 3.24Å; G204-K206 VanDerWaalsContact C-N 3.27Å; G204-K206 PolarHBondContact O-N 2.89Å; G204-V207 PolarHBondContact O-N 3.1Å; G204-G208 VanDerWaalsContact O-CA 3.24Å; G204-G208 WeakPolarHBondContact O-CA 3.45Å; G204-G208 PolarHBondContact O-N 2.79Å; G204-G352 WeakPolarHBondContact O-CA 3.32Å; G204-G352 PolarHBondContact O-N 2.76Å |
| 205 | H | 96.1 | Very high | 97.6 | Very high | 52 Ų | 52 | 34.9 Ų | 34.9 | 24% | 0.241 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.1 | -40.1 | 174.5 | -86.8 | -51.4 | 0 | 0 | 0 | 113.1 | D201 T203 S349 G351 G352 H354 | D201-H205 PolarHBondContact O-N 3.33Å; D201-H205 IonicContact OD1-CD2 3.39Å; D201-H205 IonicContact OD1-NE2 3.17Å; D201-H205 IonicContact OD2-CD2 2.8Å; D201-H205 PolarHBondContact OD2-CD2 2.79Å; D201-H205 IonicContact OD2-NE2 3.64Å; T203-H205 VanDerWaalsContact C-N 3.32Å; T203-H205 PolarHBondContact O-N 3.11Å; H205-S349 CarbonylContact O-C 3.54Å; H205-S349 WeakPolarHBondContact O-CB 3.5Å; H205-S349 VanDerWaalsContact O-O 3.06Å; H205-S349 PolarHBondContact O-OG 2.67Å; H205-G351 WeakPolarHBondContact O-CA 3.22Å; H205-G351 PolarHBondContact O-N 2.9Å; H205-G352 PolarHBondContact ND1-O 3.45Å; H205-G352 PolarHBondContact O-N 3.42Å; H205-G352 VanDerWaalsContact O-N 3.15Å; H205-H354 AromaticContact CE1-CD2 3.5Å; H205-H354 AromaticContact CE1-NE2 3.47Å; H205-H354 PolarHBondContact CE1-NE2 3.16Å; H205-H354 AromaticContact NE2-CD2 3.61Å; H205-H354 AromaticContact NE2-NE2 3.19Å; H205-H354 PolarHBondContact NE2-NE2 3.07Å; H205-H354 VanDerWaalsContact NE2-NE2 3.19Å |
| 206 | K | 95.5 | Very high | 97.6 | Very high | 140 Ų | 140 | 41.4 Ų | 41.4 | 61% | 0.609 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -74.8 | -40.5 | -175.4 | -64.1 | 168.1 | -170.2 | 161.1 | 0 | 112.9 | A202 T203 G204 | A202-K206 WeakPolarHBondContact O-CD 3.45Å; A202-K206 WeakPolarHBondContact O-CE 3.44Å; T203-K206 WeakPolarHBondContact O-CB 3.32Å; T203-K206 PolarHBondContact O-N 2.74Å; G204-K206 VanDerWaalsContact C-N 3.27Å; G204-K206 PolarHBondContact O-N 2.89Å |
| 207 | V | 95.5 | Very high | 97.6 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 24% | 0.242 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -122.2 | -14.7 | -166.1 | -56.5 | 0 | 0 | 0 | 0 | 114.3 | T203 G204 D211 Q213 I214 | T203-V207 HydrophobicContact CG2-CG2 3.86Å; T203-V207 WeakPolarHBondContact O-CG2 3.37Å; T203-V207 PolarHBondContact O-N 2.94Å; T203-V207 VanDerWaalsContact O-N 3.12Å; G204-V207 PolarHBondContact O-N 3.1Å; V207-D211 HydrophobicContact CB-CB 3.66Å; V207-D211 HydrophobicContact CG2-CB 3.5Å; V207-Q213 HydrophobicContact CG2-CB 4.3Å; V207-I214 HydrophobicContact CG2-CD1 4.08Å; V207-I214 HydrophobicContact CG2-CG1 4.2Å |
| 208 | G | 96.7 | Very high | 97.6 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | trans | 87 | 161.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G204 D210 D211 I214 G351 | G204-G208 VanDerWaalsContact O-CA 3.24Å; G204-G208 WeakPolarHBondContact O-CA 3.45Å; G204-G208 PolarHBondContact O-N 2.79Å; G208-D210 PolarHBondContact O-N 2.86Å; G208-D211 PolarHBondContact O-N 3.32Å; G208-I214 WeakPolarHBondContact O-CG1 3.31Å; G208-G351 WeakPolarHBondContact CA-O 3.39Å; G208-G351 VanDerWaalsContact N-C 3.32Å; G208-G351 VanDerWaalsContact N-CA 3.35Å | ||
| 209 | P | 97.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -20.7 | -170.4 | 27.7 | -36.8 | 0 | 0 | 0 | 114.3 | Y47 K50 M251 | Y47-P209 HydrophobicContact CE1-CB 4.23Å; Y47-P209 VanDerWaalsContact OH-CA 3.31Å; Y47-P209 WeakPolarHBondContact OH-CA 3.3Å; Y47-P209 WeakPolarHBondContact OH-CB 3.35Å; K50-P209 VanDerWaalsContact CE-O 3.25Å; K50-P209 WeakPolarHBondContact CE-O 3.38Å; K50-P209 PolarHBondContact NZ-O 3.5Å; P209-M251 HydrophobicContact CB-CB 4.16Å; P209-M251 HydrophobicContact CB-CG 4.13Å; P209-M251 HydrophobicContact CG-CG 4.42Å |
| 210 | D | 96.4 | Very high | 97.6 | Very high | 108 Ų | 108 | 47.5 Ų | 47.5 | 58% | 0.578 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -2.6 | -172.9 | -59.4 | -43.7 | 0 | 0 | 0 | 113.7 | R44 G208 | R44-D210 IonicContact NH2-OD1 2.77Å; G208-D210 PolarHBondContact O-N 2.86Å |
| 211 | D | 97.2 | Very high | 97.7 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -67.2 | 141.9 | 178.5 | -170.1 | -84.9 | 0 | 0 | 0 | 111.4 | V207 G208 Q213 I214 | V207-D211 HydrophobicContact CB-CB 3.66Å; V207-D211 HydrophobicContact CG2-CB 3.5Å; G208-D211 PolarHBondContact O-N 3.32Å; D211-Q213 PolarHBondContact O-N 3.19Å; D211-Q213 WeakPolarHBondContact OD1-CB 3.32Å; D211-Q213 VanDerWaalsContact OD1-CG 3.23Å; D211-Q213 WeakPolarHBondContact OD1-CG 3.48Å; D211-Q213 PolarHBondContact OD1-N 3.21Å; D211-Q213 PolarHBondContact OD1-NE2 3.3Å; D211-Q213 VanDerWaalsContact OD1-NE2 3.09Å; D211-I214 WeakPolarHBondContact O-CB 3.31Å; D211-I214 PolarHBondContact O-N 3.26Å |
| 212 | P | 97.8 | Very high | 97.7 | Very high | 90 Ų | 90 | 47.1 Ų | 47.1 | 58% | 0.584 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -55.7 | -21.9 | 175.9 | -27.8 | 35.9 | 0 | 0 | 0 | 115.1 | I214 T215 K216 | P212-I214 VanDerWaalsContact C-N 3.28Å; P212-T215 WeakPolarHBondContact O-CB 3.4Å; P212-T215 PolarHBondContact O-N 3.27Å; P212-K216 PolarHBondContact O-N 2.96Å |
| 213 | Q | 98 | Very high | 97.8 | Very high | 93 Ų | 93 | 47.5 Ų | 47.5 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.5 | -30.7 | 172.8 | -70 | 171.1 | 84.7 | 0 | 0 | 112.4 | T203 V207 D211 T215 K216 V217 | T203-Q213 HydrophobicContact CG2-CB 4.21Å; V207-Q213 HydrophobicContact CG2-CB 4.3Å; D211-Q213 PolarHBondContact O-N 3.19Å; D211-Q213 WeakPolarHBondContact OD1-CB 3.32Å; D211-Q213 VanDerWaalsContact OD1-CG 3.23Å; D211-Q213 WeakPolarHBondContact OD1-CG 3.48Å; D211-Q213 PolarHBondContact OD1-N 3.21Å; D211-Q213 PolarHBondContact OD1-NE2 3.3Å; D211-Q213 VanDerWaalsContact OD1-NE2 3.09Å; Q213-T215 VanDerWaalsContact C-N 3.32Å; Q213-T215 PolarHBondContact O-N 2.94Å; Q213-K216 WeakPolarHBondContact O-CB 3.42Å; Q213-K216 PolarHBondContact O-N 3.38Å; Q213-K216 VanDerWaalsContact O-N 3.15Å; Q213-V217 PolarHBondContact O-N 3.08Å |
| 214 | I | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 173.3 | -59.3 | -61.8 | 0 | 0 | 0 | 110.5 | Y47 K50 T203 V207 G208 D211 P212 K216 V217 V218 | Y47-I214 HydrophobicContact CD1-CG2 4.44Å; Y47-I214 HydrophobicContact CD2-CG2 4.14Å; Y47-I214 HydrophobicContact CE1-CG2 4.09Å; Y47-I214 HydrophobicContact CE2-CG2 3.81Å; Y47-I214 HydrophobicContact CG-CG2 4.43Å; K50-I214 HydrophobicContact CD-CB 4.49Å; K50-I214 HydrophobicContact CD-CG2 3.84Å; T203-I214 HydrophobicContact CG2-CD1 3.81Å; V207-I214 HydrophobicContact CG2-CD1 4.08Å; V207-I214 HydrophobicContact CG2-CG1 4.2Å; G208-I214 WeakPolarHBondContact O-CG1 3.31Å; D211-I214 WeakPolarHBondContact O-CB 3.31Å; D211-I214 PolarHBondContact O-N 3.26Å; P212-I214 VanDerWaalsContact C-N 3.28Å; I214-K216 VanDerWaalsContact C-N 3.27Å; I214-K216 PolarHBondContact O-N 3.46Å; I214-V217 VanDerWaalsContact O-CG1 3.29Å; I214-V217 WeakPolarHBondContact O-CG1 3.45Å; I214-V217 PolarHBondContact O-N 3.12Å; I214-V218 HydrophobicContact CG2-CG2 4.18Å; I214-V218 WeakPolarHBondContact O-CB 3.31Å; I214-V218 WeakPolarHBondContact O-CG2 3.16Å; I214-V218 PolarHBondContact O-N 2.97Å |
| 215 | T | 98.6 | Very high | 97.9 | Very high | 34 Ų | 34 | 46.6 Ų | 46.6 | 21% | 0.209 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -40.4 | 174.8 | -57 | 0 | 0 | 0 | 0 | 111.8 | K50 P212 Q213 E219 | K50-T215 HydrophobicContact CB-CG2 4.23Å; K50-T215 WeakPolarHBondContact O-CG2 3.15Å; P212-T215 WeakPolarHBondContact O-CB 3.4Å; P212-T215 PolarHBondContact O-N 3.27Å; Q213-T215 VanDerWaalsContact C-N 3.32Å; Q213-T215 PolarHBondContact O-N 2.94Å; T215-E219 WeakPolarHBondContact O-CG 3.12Å; T215-E219 PolarHBondContact O-N 3.36Å |
| 216 | K | 98.7 | Very high | 98 | Very high | 138 Ų | 138 | 47 Ų | 47 | 60% | 0.6 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -67.5 | -42.2 | 179.2 | -65.8 | 176.9 | -176.7 | 174.7 | 0 | 112.7 | P212 Q213 I214 E219 R220 | P212-K216 PolarHBondContact O-N 2.96Å; Q213-K216 WeakPolarHBondContact O-CB 3.42Å; Q213-K216 PolarHBondContact O-N 3.38Å; Q213-K216 VanDerWaalsContact O-N 3.15Å; I214-K216 VanDerWaalsContact C-N 3.27Å; I214-K216 PolarHBondContact O-N 3.46Å; K216-E219 PolarHBondContact O-N 2.92Å; K216-R220 PolarHBondContact O-N 3.5Å; K216-R220 VanDerWaalsContact O-N 3.08Å |
| 217 | V | 98.6 | Very high | 98.2 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.9 | -36 | 178.8 | 72.1 | 0 | 0 | 0 | 0 | 111.2 | W172 E199 P200 Q213 I214 E219 R220 L221 | W172-V217 HydrophobicContact CH2-CG2 4.18Å; E199-V217 HydrophobicContact CB-CG2 3.8Å; E199-V217 HydrophobicContact CG-CG2 3.86Å; P200-V217 HydrophobicContact CB-CG1 3.65Å; Q213-V217 PolarHBondContact O-N 3.08Å; I214-V217 VanDerWaalsContact O-CG1 3.29Å; I214-V217 WeakPolarHBondContact O-CG1 3.45Å; I214-V217 PolarHBondContact O-N 3.12Å; V217-E219 VanDerWaalsContact C-N 3.34Å; V217-E219 PolarHBondContact O-N 3.44Å; V217-R220 CarbonylContact O-C 3.59Å; V217-R220 WeakPolarHBondContact O-CA 3.04Å; V217-R220 WeakPolarHBondContact O-CB 3.39Å; V217-R220 PolarHBondContact O-N 2.73Å; V217-L221 WeakPolarHBondContact O-CG 3.21Å; V217-L221 PolarHBondContact O-N 3.42Å |
| 218 | V | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 173.8 | 173 | 0 | 0 | 0 | 0 | 111.3 | F43 Y47 L54 I214 R220 L221 D222 | F43-V218 HydrophobicContact CE2-CG1 4.01Å; F43-V218 HydrophobicContact CE2-CG2 4.31Å; F43-V218 HydrophobicContact CZ-CG1 3.67Å; F43-V218 HydrophobicContact CZ-CG2 4.37Å; Y47-V218 HydrophobicContact CD2-CG2 4.02Å; Y47-V218 HydrophobicContact CG-CG2 4.28Å; L54-V218 HydrophobicContact CD1-CG1 3.87Å; L54-V218 HydrophobicContact CD2-CG1 3.81Å; I214-V218 HydrophobicContact CG2-CG2 4.18Å; I214-V218 WeakPolarHBondContact O-CB 3.31Å; I214-V218 WeakPolarHBondContact O-CG2 3.16Å; I214-V218 PolarHBondContact O-N 2.97Å; V218-R220 VanDerWaalsContact C-N 3.3Å; V218-R220 PolarHBondContact O-N 2.76Å; V218-L221 PolarHBondContact O-N 2.87Å; V218-D222 PolarHBondContact O-N 3.27Å |
| 219 | E | 98.8 | Very high | 98.4 | Very high | 38 Ų | 38 | 43.1 Ų | 43.1 | 18% | 0.178 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -34.1 | 171.2 | -73.7 | 173.8 | 164.5 | 0 | 0 | 112.8 | S51 R53 L54 T215 K216 V217 D222 G223 | S51-E219 VanDerWaalsContact CB-OE1 3.32Å; S51-E219 WeakPolarHBondContact CB-OE1 3.25Å; S51-E219 PolarHBondContact OG-OE1 3.3Å; R53-E219 IonicContact CZ-OE1 3.37Å; R53-E219 IonicContact CZ-OE2 3.8Å; R53-E219 IonicContact NE-OE1 3.81Å; R53-E219 PolarHBondContact NE-OE1 3.47Å; R53-E219 IonicContact NE-OE2 3.83Å; R53-E219 IonicContact NH2-OE1 3.78Å; R53-E219 PolarHBondContact NH2-OE1 3.25Å; R53-E219 IonicContact NH2-OE2 3.5Å; R53-E219 PolarHBondContact NH2-OE2 2.92Å; L54-E219 HydrophobicContact CD2-CB 4.41Å; L54-E219 HydrophobicContact CD2-CG 3.86Å; T215-E219 WeakPolarHBondContact O-CG 3.12Å; T215-E219 PolarHBondContact O-N 3.36Å; K216-E219 PolarHBondContact O-N 2.92Å; V217-E219 VanDerWaalsContact C-N 3.34Å; V217-E219 PolarHBondContact O-N 3.44Å; E219-D222 PolarHBondContact O-N 2.85Å; E219-G223 PolarHBondContact O-N 2.87Å |
| 220 | R | 98.7 | Very high | 98.5 | Very high | 131 Ų | 131 | 45 Ų | 45 | 49% | 0.494 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.5 | -39 | 174.2 | -168.5 | -175 | 161.9 | -154.4 | -9.8 | 111.7 | W172 K216 V217 V218 G223 L224 | W172-R220 HydrophobicContact CE3-CG 4.4Å; W172-R220 HydrophobicContact CH2-CG 4.43Å; W172-R220 VanDerWaalsContact CH2-NH1 3.27Å; W172-R220 HydrophobicContact CZ3-CB 4.27Å; W172-R220 VanDerWaalsContact CZ3-CD 3.45Å; W172-R220 HydrophobicContact CZ3-CG 3.65Å; K216-R220 PolarHBondContact O-N 3.5Å; K216-R220 VanDerWaalsContact O-N 3.08Å; V217-R220 CarbonylContact O-C 3.59Å; V217-R220 WeakPolarHBondContact O-CA 3.04Å; V217-R220 WeakPolarHBondContact O-CB 3.39Å; V217-R220 PolarHBondContact O-N 2.73Å; V218-R220 VanDerWaalsContact C-N 3.3Å; V218-R220 PolarHBondContact O-N 2.76Å; R220-G223 WeakPolarHBondContact O-CA 3.47Å; R220-G223 PolarHBondContact O-N 2.93Å; R220-G223 VanDerWaalsContact O-N 3.16Å; R220-L224 PolarHBondContact O-N 3.39Å |
| 221 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.3 | -35 | 173.3 | -68.5 | 168.9 | 0 | 0 | 0 | 112.1 | Y40 F43 W172 I197 E199 V217 V218 G223 L224 T225 | Y40-L221 HydrophobicContact CD1-CD2 3.98Å; Y40-L221 HydrophobicContact CD2-CB 4.2Å; Y40-L221 HydrophobicContact CD2-CD1 4.32Å; Y40-L221 HydrophobicContact CD2-CD2 4.31Å; Y40-L221 HydrophobicContact CE1-CD2 4.16Å; Y40-L221 HydrophobicContact CE2-CB 4.17Å; Y40-L221 HydrophobicContact CE2-CD2 4.5Å; Y40-L221 HydrophobicContact CG-CD1 4.29Å; Y40-L221 HydrophobicContact CG-CD2 4.05Å; F43-L221 HydrophobicContact CD2-CD1 3.86Å; F43-L221 HydrophobicContact CE2-CD1 4.03Å; W172-L221 HydrophobicContact CE3-CD2 4.36Å; W172-L221 HydrophobicContact CH2-CD2 4.31Å; W172-L221 HydrophobicContact CZ3-CD2 3.95Å; W172-L221 HydrophobicContact CZ3-CG 4.44Å; I197-L221 HydrophobicContact CG2-CD2 3.91Å; E199-L221 HydrophobicContact CB-CD1 4.37Å; E199-L221 HydrophobicContact CB-CD2 4.46Å; E199-L221 WeakPolarHBondContact O-CD1 3.43Å; V217-L221 WeakPolarHBondContact O-CG 3.21Å; V217-L221 PolarHBondContact O-N 3.42Å; V218-L221 PolarHBondContact O-N 2.87Å; L221-G223 VanDerWaalsContact C-N 3.31Å; L221-L224 HydrophobicContact CD2-CD2 4.47Å; L221-L224 PolarHBondContact O-N 3.41Å; L221-T225 WeakPolarHBondContact O-CB 3.31Å; L221-T225 PolarHBondContact O-N 3.26Å; L221-T225 PolarHBondContact O-OG1 3.36Å |
| 222 | D | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 169.4 | -169.8 | 90.8 | 0 | 0 | 0 | 111.1 | L54 Y55 S56 F57 V218 E219 T225 S226 | L54-D222 WeakPolarHBondContact CA-OD1 3.36Å; L54-D222 HydrophobicContact CD2-CB 3.91Å; Y55-D222 PolarHBondContact N-OD1 3.37Å; Y55-D222 PolarHBondContact N-OD2 2.86Å; S56-D222 WeakPolarHBondContact CA-OD1 3.32Å; S56-D222 WeakPolarHBondContact CB-OD1 3.27Å; S56-D222 WeakPolarHBondContact CB-OD2 3.34Å; S56-D222 PolarHBondContact N-OD1 3.12Å; S56-D222 PolarHBondContact N-OD2 3.49Å; S56-D222 PolarHBondContact OG-O 3.49Å; S56-D222 PolarHBondContact OG-OD2 3.21Å; F57-D222 HydrophobicContact CD2-CB 3.76Å; F57-D222 WeakPolarHBondContact CD2-OD1 3.27Å; F57-D222 HydrophobicContact CE2-CB 3.82Å; F57-D222 PolarHBondContact N-OD1 2.88Å; V218-D222 PolarHBondContact O-N 3.27Å; E219-D222 PolarHBondContact O-N 2.85Å; D222-T225 WeakPolarHBondContact O-CB 3.48Å; D222-T225 PolarHBondContact O-N 3.14Å; D222-S226 PolarHBondContact O-N 2.66Å |
| 223 | G | 98.8 | Very high | 98.6 | Very high | 38 Ų | 38 | 43.5 Ų | 43.5 | 39% | 0.392 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E219 R220 L221 T225 S226 Y227 | E219-G223 PolarHBondContact O-N 2.87Å; R220-G223 WeakPolarHBondContact O-CA 3.47Å; R220-G223 PolarHBondContact O-N 2.93Å; R220-G223 VanDerWaalsContact O-N 3.16Å; L221-G223 VanDerWaalsContact C-N 3.31Å; G223-T225 VanDerWaalsContact C-N 3.34Å; G223-S226 VanDerWaalsContact O-CB 3.32Å; G223-S226 WeakPolarHBondContact O-CB 3.36Å; G223-S226 PolarHBondContact O-N 3.39Å; G223-Y227 PolarHBondContact O-N 3.45Å |
| 224 | L | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -40.9 | 173.6 | -179.1 | 67.9 | 0 | 0 | 0 | 111.7 | Y40 W172 V176 I197 R220 L221 S226 Y227 L228 | Y40-L224 HydrophobicContact CE1-CD2 4.07Å; W172-L224 HydrophobicContact CB-CD1 3.64Å; W172-L224 HydrophobicContact CB-CD2 3.68Å; W172-L224 HydrophobicContact CB-CG 4.27Å; W172-L224 HydrophobicContact CD2-CD2 4.4Å; W172-L224 HydrophobicContact CE3-CD2 4.15Å; W172-L224 HydrophobicContact CG-CD2 4.26Å; V176-L224 HydrophobicContact CG2-CD1 3.78Å; V176-L224 HydrophobicContact CG2-CG 4.42Å; I197-L224 HydrophobicContact CD1-CD2 3.95Å; I197-L224 HydrophobicContact CG1-CD2 3.79Å; R220-L224 PolarHBondContact O-N 3.39Å; L221-L224 HydrophobicContact CD2-CD2 4.47Å; L221-L224 PolarHBondContact O-N 3.41Å; L224-S226 VanDerWaalsContact C-N 3.33Å; L224-Y227 WeakPolarHBondContact O-CB 3.49Å; L224-Y227 PolarHBondContact O-N 2.68Å; L224-L228 PolarHBondContact O-N 2.86Å |
| 225 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -44.9 | 174.9 | -58.9 | 0 | 0 | 0 | 0 | 110.5 | Y40 L60 L221 D222 G223 Y227 L228 L229 F245 | Y40-T225 PolarHBondContact OH-OG1 3.46Å; L60-T225 HydrophobicContact CD1-CG2 3.6Å; L221-T225 WeakPolarHBondContact O-CB 3.31Å; L221-T225 PolarHBondContact O-N 3.26Å; L221-T225 PolarHBondContact O-OG1 3.36Å; D222-T225 WeakPolarHBondContact O-CB 3.48Å; D222-T225 PolarHBondContact O-N 3.14Å; G223-T225 VanDerWaalsContact C-N 3.34Å; T225-Y227 VanDerWaalsContact C-N 3.34Å; T225-Y227 PolarHBondContact O-N 3.22Å; T225-L228 PolarHBondContact O-N 3.38Å; T225-L229 HydrophobicContact CG2-CD1 4.11Å; T225-L229 HydrophobicContact CG2-CG 4.48Å; T225-L229 VanDerWaalsContact O-CG 3.27Å; T225-L229 WeakPolarHBondContact O-CG 3.41Å; T225-L229 PolarHBondContact O-N 3.27Å; T225-F245 HydrophobicContact CG2-CE1 3.9Å; T225-F245 HydrophobicContact CG2-CZ 3.88Å |
| 226 | S | 98.8 | Very high | 98.5 | Very high | 60 Ų | 60 | 53 Ų | 53 | 42% | 0.42 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 174.1 | -169 | 0 | 0 | 0 | 0 | 111.6 | S56 D222 G223 L224 L229 A230 | S56-S226 VanDerWaalsContact OG-CB 3.3Å; S56-S226 WeakPolarHBondContact OG-CB 3.31Å; D222-S226 PolarHBondContact O-N 2.66Å; G223-S226 VanDerWaalsContact O-CB 3.32Å; G223-S226 WeakPolarHBondContact O-CB 3.36Å; G223-S226 PolarHBondContact O-N 3.39Å; L224-S226 VanDerWaalsContact C-N 3.33Å; S226-L229 PolarHBondContact O-N 2.84Å; S226-A230 WeakPolarHBondContact O-CB 3.41Å; S226-A230 PolarHBondContact O-N 3.35Å |
| 227 | Y | 98.8 | Very high | 98.3 | Very high | 79 Ų | 79 | 47.3 Ų | 47.3 | 31% | 0.31 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.6 | -48.8 | 177.9 | -176.6 | -104.8 | 0 | 0 | 0 | 111.9 | E173 V176 E177 G223 L224 T225 L229 A230 R231 | E173-Y227 HydrophobicContact CB-CD1 4.38Å; E173-Y227 HydrophobicContact CB-CE1 4.01Å; E173-Y227 HydrophobicContact CG-CD1 4.22Å; E173-Y227 HydrophobicContact CG-CE1 4.26Å; V176-Y227 HydrophobicContact CB-CD1 4.18Å; V176-Y227 HydrophobicContact CB-CE1 4.21Å; V176-Y227 HydrophobicContact CG1-CD1 3.84Å; V176-Y227 HydrophobicContact CG1-CE1 3.89Å; E177-Y227 WeakPolarHBondContact OE1-CE1 3.28Å; E177-Y227 PolarHBondContact OE1-OH 3.43Å; G223-Y227 PolarHBondContact O-N 3.45Å; L224-Y227 WeakPolarHBondContact O-CB 3.49Å; L224-Y227 PolarHBondContact O-N 2.68Å; T225-Y227 VanDerWaalsContact C-N 3.34Å; T225-Y227 PolarHBondContact O-N 3.22Å; Y227-L229 PolarHBondContact O-N 3.47Å; Y227-A230 PolarHBondContact O-N 2.85Å; Y227-R231 HydrophobicContact CD1-CG 4.28Å; Y227-R231 HydrophobicContact CE1-CG 3.89Å; Y227-R231 HydrophobicContact CE2-CG 4.18Å; Y227-R231 WeakPolarHBondContact O-CG 3.4Å; Y227-R231 PolarHBondContact O-N 3.46Å; Y227-R231 PolarHBondContact OH-NH1 3.03Å |
| 228 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.5 | -48.6 | 176.2 | 171.8 | 62.8 | 0 | 0 | 0 | 111.9 | L36 V38 V176 L195 L224 T225 A230 R231 L232 F245 | L36-L228 HydrophobicContact CD2-CD1 3.87Å; L36-L228 HydrophobicContact CD2-CD2 3.91Å; L36-L228 HydrophobicContact CD2-CG 4.41Å; V38-L228 HydrophobicContact CG2-CD2 4.02Å; V176-L228 HydrophobicContact CG1-CB 4.23Å; V176-L228 HydrophobicContact CG1-CD1 3.86Å; V176-L228 HydrophobicContact CG2-CB 4.28Å; V176-L228 HydrophobicContact CG2-CD1 4.45Å; L195-L228 HydrophobicContact CD2-CD2 4.5Å; L224-L228 PolarHBondContact O-N 2.86Å; T225-L228 PolarHBondContact O-N 3.38Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 2.72Å; L228-R231 PolarHBondContact O-N 3.29Å; L228-L232 HydrophobicContact CD1-CD1 3.93Å; L228-L232 HydrophobicContact CD1-CG 4.14Å; L228-L232 HydrophobicContact CG-CD1 4.08Å; L228-L232 WeakPolarHBondContact O-CB 3.28Å; L228-L232 VanDerWaalsContact O-CG 3.31Å; L228-L232 WeakPolarHBondContact O-CG 3.47Å; L228-L232 PolarHBondContact O-N 3.09Å; L228-F245 HydrophobicContact CD2-CE1 4.15Å; L228-F245 HydrophobicContact CD2-CZ 4.17Å |
| 229 | L | 98.8 | Very high | 98 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 179.8 | -66.3 | 172.9 | 0 | 0 | 0 | 111.9 | L60 T225 S226 Y227 L232 Y233 L238 I243 | L60-L229 HydrophobicContact CD1-CD1 4.44Å; L60-L229 HydrophobicContact CD2-CD1 4.01Å; L60-L229 HydrophobicContact CD2-CD2 4.31Å; L60-L229 HydrophobicContact CG-CD1 4.31Å; T225-L229 HydrophobicContact CG2-CD1 4.11Å; T225-L229 HydrophobicContact CG2-CG 4.48Å; T225-L229 VanDerWaalsContact O-CG 3.27Å; T225-L229 WeakPolarHBondContact O-CG 3.41Å; T225-L229 PolarHBondContact O-N 3.27Å; S226-L229 PolarHBondContact O-N 2.84Å; Y227-L229 PolarHBondContact O-N 3.47Å; L229-L232 PolarHBondContact O-N 2.92Å; L229-Y233 WeakPolarHBondContact O-CB 3.3Å; L229-Y233 PolarHBondContact O-N 3.45Å; L229-L238 HydrophobicContact CD2-CD1 3.73Å; L229-I243 HydrophobicContact CD2-CD1 3.9Å |
| 230 | A | 98.7 | Very high | 97.8 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 34% | 0.339 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.4 | -48 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S226 Y227 L228 L232 Y233 E234 | S226-A230 WeakPolarHBondContact O-CB 3.41Å; S226-A230 PolarHBondContact O-N 3.35Å; Y227-A230 PolarHBondContact O-N 2.85Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 2.72Å; A230-L232 PolarHBondContact O-N 2.97Å; A230-Y233 WeakPolarHBondContact O-CB 3.46Å; A230-Y233 PolarHBondContact O-N 3.18Å; A230-Y233 VanDerWaalsContact O-N 3.08Å; A230-E234 WeakPolarHBondContact O-CG 3.27Å; A230-E234 PolarHBondContact O-N 2.83Å |
| 231 | R | 98.6 | Very high | 97.7 | Very high | 45 Ų | 45 | 49.5 Ų | 49.5 | 17% | 0.17 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 176.7 | -67.2 | -49.2 | -54.6 | -93.3 | -6.5 | 112.2 | E177 I180 Y227 L228 Y233 E234 E235 | E177-R231 IonicContact OE1-CZ 3.88Å; E177-R231 IonicContact OE1-NE 2.76Å; E177-R231 IonicContact OE1-NH1 3.28Å; E177-R231 PolarHBondContact OE1-NH1 3.21Å; E177-R231 IonicContact OE2-CZ 2.86Å; E177-R231 IonicContact OE2-NH1 3.67Å; E177-R231 PolarHBondContact OE2-NH1 2.91Å; E177-R231 IonicContact OE2-NH2 3.12Å; E177-R231 PolarHBondContact OE2-NH2 3.31Å; I180-R231 HydrophobicContact CD1-CB 3.8Å; I180-R231 HydrophobicContact CG1-CB 3.92Å; Y227-R231 HydrophobicContact CD1-CG 4.28Å; Y227-R231 HydrophobicContact CE1-CG 3.89Å; Y227-R231 HydrophobicContact CE2-CG 4.18Å; Y227-R231 WeakPolarHBondContact O-CG 3.4Å; Y227-R231 PolarHBondContact O-N 3.46Å; Y227-R231 PolarHBondContact OH-NH1 3.03Å; L228-R231 PolarHBondContact O-N 3.29Å; R231-Y233 VanDerWaalsContact C-N 3.27Å; R231-Y233 PolarHBondContact O-N 3.47Å; R231-E234 WeakPolarHBondContact CD-OE2 3.27Å; R231-E234 IonicContact NE-OE2 3.51Å; R231-E234 PolarHBondContact NE-OE2 2.86Å; R231-E234 PolarHBondContact O-N 3.47Å; R231-E235 IonicContact NH2-OE1 2.73Å; R231-E235 WeakPolarHBondContact O-CB 3.4Å; R231-E235 VanDerWaalsContact O-CG 3.27Å; R231-E235 WeakPolarHBondContact O-CG 3.42Å; R231-E235 PolarHBondContact O-N 3.2Å; R231-E235 VanDerWaalsContact O-N 3.12Å |
| 232 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -34.1 | 174.7 | -70.9 | 172.2 | 0 | 0 | 0 | 112.5 | I180 L228 L229 A230 N236 L237 L238 M241 I243 | I180-L232 HydrophobicContact CD1-CD2 3.53Å; I180-L232 HydrophobicContact CD1-CG 3.84Å; L228-L232 HydrophobicContact CD1-CD1 3.93Å; L228-L232 HydrophobicContact CD1-CG 4.14Å; L228-L232 HydrophobicContact CG-CD1 4.08Å; L228-L232 WeakPolarHBondContact O-CB 3.28Å; L228-L232 VanDerWaalsContact O-CG 3.31Å; L228-L232 WeakPolarHBondContact O-CG 3.47Å; L228-L232 PolarHBondContact O-N 3.09Å; L229-L232 PolarHBondContact O-N 2.92Å; A230-L232 PolarHBondContact O-N 2.97Å; L232-N236 PolarHBondContact O-N 2.95Å; L232-L237 HydrophobicContact CB-CB 4.45Å; L232-L237 HydrophobicContact CD2-CB 3.83Å; L232-L237 HydrophobicContact CD2-CD1 3.96Å; L232-L237 WeakPolarHBondContact O-CA 3.49Å; L232-L237 PolarHBondContact O-N 2.82Å; L232-L238 HydrophobicContact CB-CB 3.93Å; L232-L238 HydrophobicContact CB-CD1 4.26Å; L232-L238 HydrophobicContact CD1-CD1 4.45Å; L232-L238 PolarHBondContact O-N 3.24Å; L232-M241 HydrophobicContact CD2-CE 3.69Å; L232-I243 HydrophobicContact CD1-CD1 3.57Å |
| 233 | Y | 98 | Very high | 97.7 | Very high | 171 Ų | 171 | 49.4 Ų | 49.4 | 67% | 0.671 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -69.9 | -48.7 | 176.9 | 176.7 | -96.6 | 0 | 0 | 0 | 111.7 | L229 A230 R231 E235 N236 L238 | L229-Y233 WeakPolarHBondContact O-CB 3.3Å; L229-Y233 PolarHBondContact O-N 3.45Å; A230-Y233 WeakPolarHBondContact O-CB 3.46Å; A230-Y233 PolarHBondContact O-N 3.18Å; A230-Y233 VanDerWaalsContact O-N 3.08Å; R231-Y233 VanDerWaalsContact C-N 3.27Å; R231-Y233 PolarHBondContact O-N 3.47Å; Y233-E235 PolarHBondContact O-N 2.83Å; Y233-N236 PolarHBondContact O-N 3.18Å; Y233-L238 HydrophobicContact CD2-CD2 4.33Å |
| 234 | E | 98.2 | Very high | 97.7 | Very high | 115 Ų | 115 | 47.6 Ų | 47.6 | 54% | 0.537 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -55.6 | -40.3 | 178.2 | -72.4 | 168.6 | 179.9 | 0 | 0 | 111.9 | A230 R231 N236 | A230-E234 WeakPolarHBondContact O-CG 3.27Å; A230-E234 PolarHBondContact O-N 2.83Å; R231-E234 WeakPolarHBondContact CD-OE2 3.27Å; R231-E234 IonicContact NE-OE2 3.51Å; R231-E234 PolarHBondContact NE-OE2 2.86Å; R231-E234 PolarHBondContact O-N 3.47Å; E234-N236 VanDerWaalsContact C-N 3.25Å; E234-N236 PolarHBondContact O-N 3.43Å |
| 235 | E | 97.3 | Very high | 97.7 | Very high | 70 Ų | 70 | 47.5 Ų | 47.5 | 33% | 0.327 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 10.3 | -178.5 | -57.6 | -64.6 | 172.9 | 0 | 0 | 113.3 | I180 L184 R231 Y233 L237 | I180-E235 HydrophobicContact CG2-CG 3.93Å; L184-E235 HydrophobicContact CD1-CB 4Å; L184-E235 HydrophobicContact CD1-CG 3.72Å; L184-E235 WeakPolarHBondContact CD1-OE2 3.28Å; L184-E235 HydrophobicContact CD2-CB 4.3Å; R231-E235 IonicContact NH2-OE1 2.73Å; R231-E235 WeakPolarHBondContact O-CB 3.4Å; R231-E235 VanDerWaalsContact O-CG 3.27Å; R231-E235 WeakPolarHBondContact O-CG 3.42Å; R231-E235 PolarHBondContact O-N 3.2Å; R231-E235 VanDerWaalsContact O-N 3.12Å; Y233-E235 PolarHBondContact O-N 2.83Å; E235-L237 HydrophobicContact CB-CD1 4.16Å; E235-L237 HydrophobicContact CB-CG 4.25Å; E235-L237 PolarHBondContact O-N 2.92Å |
| 236 | N | 95.6 | Very high | 97.7 | Very high | 140 Ų | 140 | 47.5 Ų | 47.5 | 75% | 0.749 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 26 | -179.4 | -57.8 | -81.6 | 0 | 0 | 0 | 114.4 | L232 Y233 E234 | L232-N236 PolarHBondContact O-N 2.95Å; Y233-N236 PolarHBondContact O-N 3.18Å; E234-N236 VanDerWaalsContact C-N 3.25Å; E234-N236 PolarHBondContact O-N 3.43Å |
| 237 | L | 96.3 | Very high | 97.7 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | trans | -92.9 | -34.5 | 178.8 | -67.4 | 173.1 | 0 | 0 | 0 | 112.3 | L34 F183 L184 L232 E235 G239 R240 M241 | L34-L237 HydrophobicContact CD1-CD2 3.96Å; F183-L237 HydrophobicContact CB-CD1 3.77Å; F183-L237 HydrophobicContact CG-CD1 4.43Å; L184-L237 HydrophobicContact CD2-CD1 4.13Å; L184-L237 HydrophobicContact CD2-CG 4.47Å; L184-L237 HydrophobicContact CG-CD1 4.39Å; L232-L237 HydrophobicContact CB-CB 4.45Å; L232-L237 HydrophobicContact CD2-CB 3.83Å; L232-L237 HydrophobicContact CD2-CD1 3.96Å; L232-L237 WeakPolarHBondContact O-CA 3.49Å; L232-L237 PolarHBondContact O-N 2.82Å; E235-L237 HydrophobicContact CB-CD1 4.16Å; E235-L237 HydrophobicContact CB-CG 4.25Å; E235-L237 PolarHBondContact O-N 2.92Å; L237-G239 VanDerWaalsContact C-N 3.31Å; L237-G239 PolarHBondContact O-N 2.93Å; L237-G239 VanDerWaalsContact O-N 3.17Å; L237-R240 PolarHBondContact O-N 2.87Å; L237-M241 HydrophobicContact CB-CE 4.31Å; L237-M241 WeakPolarHBondContact O-CB 3.27Å; L237-M241 PolarHBondContact O-N 2.78Å | ||
| 238 | L | 96.6 | Very high | 97.7 | Very high | 53 Ų | 53 | 40.9 Ų | 40.9 | 28% | 0.277 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -41.8 | -168.8 | -176.9 | 62.1 | 0 | 0 | 0 | 113.4 | L229 L232 Y233 R240 I243 | L229-L238 HydrophobicContact CD2-CD1 3.73Å; L232-L238 HydrophobicContact CB-CB 3.93Å; L232-L238 HydrophobicContact CB-CD1 4.26Å; L232-L238 HydrophobicContact CD1-CD1 4.45Å; L232-L238 PolarHBondContact O-N 3.24Å; Y233-L238 HydrophobicContact CD2-CD2 4.33Å; L238-R240 PolarHBondContact O-N 3.23Å; L238-I243 HydrophobicContact CD1-CD1 4.14Å |
| 239 | G | 93.5 | Very high | 97.7 | Very high | 70 Ų | 70 | 40.9 Ų | 40.9 | 72% | 0.722 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -14.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L237 | L237-G239 VanDerWaalsContact C-N 3.31Å; L237-G239 PolarHBondContact O-N 2.93Å; L237-G239 VanDerWaalsContact O-N 3.17Å |
| 240 | R | 94.1 | Very high | 97.7 | Very high | 104 Ų | 104 | 39.8 Ų | 39.8 | 39% | 0.392 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | -11.3 | -176.8 | -64 | -178.1 | 54.8 | -146.9 | -27 | 113.3 | E30 L237 L238 | E30-R240 PolarHBondContact O-NH2 3.38Å; L237-R240 PolarHBondContact O-N 2.87Å; L238-R240 PolarHBondContact O-N 3.23Å |
| 241 | M | 97.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 134 | -178.1 | -170.9 | 74.8 | 75.4 | 0 | 0 | 111.1 | L34 L36 F183 L232 L237 I243 G371 P372 | L34-M241 HydrophobicContact CB-CE 4.29Å; L34-M241 HydrophobicContact CB-SD 3.52Å; L34-M241 VanDerWaalsContact CB-SD 3.52Å; L34-M241 HydrophobicContact CD1-CE 4.4Å; L36-M241 HydrophobicContact CB-CG 4.46Å; L36-M241 HydrophobicContact CB-SD 4.16Å; F183-M241 HydrophobicContact CD1-CE 3.74Å; F183-M241 HydrophobicContact CD2-CE 3.79Å; F183-M241 HydrophobicContact CE1-CE 3.55Å; F183-M241 HydrophobicContact CE1-SD 3.85Å; F183-M241 HydrophobicContact CE2-CE 3.59Å; F183-M241 HydrophobicContact CE2-SD 4.25Å; F183-M241 HydrophobicContact CG-CE 3.88Å; F183-M241 HydrophobicContact CZ-CE 3.48Å; F183-M241 VanDerWaalsContact CZ-CE 3.48Å; F183-M241 HydrophobicContact CZ-SD 3.67Å; L232-M241 HydrophobicContact CD2-CE 3.69Å; L237-M241 HydrophobicContact CB-CE 4.31Å; L237-M241 WeakPolarHBondContact O-CB 3.27Å; L237-M241 PolarHBondContact O-N 2.78Å; M241-I243 HydrophobicContact CB-CG1 4.34Å; M241-I243 HydrophobicContact CG-CD1 4.26Å; M241-I243 HydrophobicContact CG-CG1 3.61Å; M241-G371 WeakPolarHBondContact O-CA 3.23Å; M241-P372 VanDerWaalsContact O-CD 3.28Å; M241-P372 WeakPolarHBondContact O-CD 3.27Å |
| 242 | N | 98.7 | Very high | 97.6 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 131.4 | 160.5 | -59.8 | -76.1 | 0 | 0 | 0 | 108.3 | L34 L35 L36 V370 P372 A373 F374 I395 | L34-N242 WeakPolarHBondContact O-CB 3.34Å; L34-N242 PolarHBondContact O-N 2.88Å; L34-N242 PolarHBondContact O-ND2 2.82Å; L34-N242 VanDerWaalsContact O-ND2 3.15Å; L35-N242 CarbonylContact C-O 3.46Å; L35-N242 VanDerWaalsContact CA-O 3.23Å; L35-N242 WeakPolarHBondContact CA-O 3.37Å; L35-N242 HydrophobicContact CD1-CB 4.34Å; L35-N242 HydrophobicContact CG-CB 4.38Å; L36-N242 PolarHBondContact N-O 2.63Å; N242-V370 CarbonylContact C-O 3.51Å; N242-V370 WeakPolarHBondContact CA-O 3.38Å; N242-P372 VanDerWaalsContact OD1-CD 3.24Å; N242-P372 WeakPolarHBondContact OD1-CD 3.4Å; N242-A373 WeakPolarHBondContact OD1-CB 3.34Å; N242-A373 PolarHBondContact OD1-N 3.28Å; N242-F374 HydrophobicContact CB-CD2 4.42Å; N242-F374 HydrophobicContact CB-CE2 4Å; N242-I395 HydrophobicContact CB-CG2 4.12Å; N242-I395 WeakPolarHBondContact ND2-CG2 3.31Å |
| 243 | I | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 127.2 | -179.3 | -45.4 | 172.2 | 0 | 0 | 0 | 108 | L36 V38 L229 L232 L238 M241 F245 A369 V370 | L36-I243 HydrophobicContact CB-CG2 4.36Å; L36-I243 HydrophobicContact CD2-CG2 4.49Å; L36-I243 HydrophobicContact CG-CG2 4.46Å; L36-I243 VanDerWaalsContact O-CA 3.32Å; L36-I243 WeakPolarHBondContact O-CA 3.25Å; V38-I243 HydrophobicContact CG2-CG2 4.16Å; L229-I243 HydrophobicContact CD2-CD1 3.9Å; L232-I243 HydrophobicContact CD1-CD1 3.57Å; L238-I243 HydrophobicContact CD1-CD1 4.14Å; M241-I243 HydrophobicContact CB-CG1 4.34Å; M241-I243 HydrophobicContact CG-CD1 4.26Å; M241-I243 HydrophobicContact CG-CG1 3.61Å; I243-F245 HydrophobicContact CB-CE2 3.98Å; I243-F245 HydrophobicContact CG2-CD2 3.84Å; I243-F245 HydrophobicContact CG2-CE1 4.33Å; I243-F245 HydrophobicContact CG2-CE2 3.31Å; I243-F245 HydrophobicContact CG2-CZ 3.6Å; I243-A369 CarbonylContact O-C 3.33Å; I243-A369 WeakPolarHBondContact O-CA 2.97Å; I243-V370 HydrophobicContact CB-CG2 3.95Å; I243-V370 HydrophobicContact CD1-CG2 4.39Å; I243-V370 HydrophobicContact CG1-CG2 4.41Å; I243-V370 PolarHBondContact N-O 2.94Å; I243-V370 PolarHBondContact O-N 3.41Å |
| 244 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 119.8 | 172.2 | -61 | 173.7 | 0 | 0 | 0 | 106.8 | L35 L36 L37 V38 F367 A369 F374 V388 L391 I392 | L35-I244 HydrophobicContact CD1-CD1 4.17Å; L36-I244 PolarHBondContact O-N 2.92Å; L37-I244 HydrophobicContact CD1-CB 3.74Å; L37-I244 HydrophobicContact CD1-CG2 3.61Å; V38-I244 PolarHBondContact N-O 2.8Å; I244-F367 HydrophobicContact CG2-CD2 4.13Å; I244-F367 HydrophobicContact CG2-CE2 3.53Å; I244-F367 HydrophobicContact CG2-CZ 4.26Å; I244-A369 HydrophobicContact CG1-CB 4.2Å; I244-F374 HydrophobicContact CD1-CZ 3.98Å; I244-F374 HydrophobicContact CG1-CE2 4.07Å; I244-F374 HydrophobicContact CG1-CZ 3.75Å; I244-V388 HydrophobicContact CD1-CG1 4.3Å; I244-L391 HydrophobicContact CD1-CD2 4Å; I244-L391 HydrophobicContact CD1-CG 4.48Å; I244-I392 HydrophobicContact CD1-CD1 4.32Å; I244-I392 HydrophobicContact CD1-CG1 3.8Å |
| 245 | F | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 121.8 | 170.1 | -65.4 | -89.2 | 0 | 0 | 0 | 107.9 | V38 Y40 L60 T225 L228 I243 Y366 F367 I368 | V38-F245 HydrophobicContact CB-CD1 3.7Å; V38-F245 HydrophobicContact CB-CE1 4Å; V38-F245 HydrophobicContact CB-CG 4.44Å; V38-F245 HydrophobicContact CG1-CD1 3.87Å; V38-F245 HydrophobicContact CG1-CE1 4.07Å; V38-F245 HydrophobicContact CG2-CD1 4.09Å; V38-F245 HydrophobicContact CG2-CE1 3.92Å; V38-F245 WeakPolarHBondContact O-CA 3.39Å; Y40-F245 HydrophobicContact CE2-CD1 4.44Å; L60-F245 HydrophobicContact CD1-CD2 3.93Å; L60-F245 HydrophobicContact CD1-CE2 3.61Å; L60-F245 HydrophobicContact CD1-CZ 4.05Å; L60-F245 HydrophobicContact CD2-CE2 4.19Å; T225-F245 HydrophobicContact CG2-CE1 3.9Å; T225-F245 HydrophobicContact CG2-CZ 3.88Å; L228-F245 HydrophobicContact CD2-CE1 4.15Å; L228-F245 HydrophobicContact CD2-CZ 4.17Å; I243-F245 HydrophobicContact CB-CE2 3.98Å; I243-F245 HydrophobicContact CG2-CD2 3.84Å; I243-F245 HydrophobicContact CG2-CE1 4.33Å; I243-F245 HydrophobicContact CG2-CE2 3.31Å; I243-F245 HydrophobicContact CG2-CZ 3.6Å; F245-Y366 HydrophobicContact CB-CE2 3.73Å; F245-F367 WeakPolarHBondContact O-CA 3.36Å; F245-I368 HydrophobicContact CB-CB 4.41Å; F245-I368 PolarHBondContact N-O 3.17Å; F245-I368 PolarHBondContact O-N 3.19Å |
| 246 | T | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | -180 | 179.8 | -166.5 | 0 | 0 | 0 | 0 | 110.3 | L37 V38 S39 Y40 I86 Y366 | L37-T246 HydrophobicContact CD1-CG2 3.89Å; V38-T246 PolarHBondContact O-N 2.98Å; S39-T246 VanDerWaalsContact CA-O 3.27Å; S39-T246 WeakPolarHBondContact CA-O 3.41Å; Y40-T246 PolarHBondContact N-O 3.43Å; I86-T246 HydrophobicContact CD1-CG2 4.42Å; T246-Y366 WeakPolarHBondContact CA-O 3.42Å; T246-Y366 WeakPolarHBondContact O-CE1 3.4Å; T246-Y366 PolarHBondContact O-OH 2.91Å; T246-Y366 PolarHBondContact OG1-O 2.93Å |
| 247 | S | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -132.8 | 176.2 | 165.4 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | Y40 G42 F43 H249 P365 | Y40-S247 WeakPolarHBondContact O-CB 3.42Å; Y40-S247 PolarHBondContact O-OG 3.33Å; G42-S247 PolarHBondContact N-OG 3.36Å; G42-S247 VanDerWaalsContact N-OG 3.12Å; F43-S247 PolarHBondContact N-OG 3.47Å; S247-H249 PolarHBondContact OG-O 3.48Å; S247-P365 VanDerWaalsContact C-CB 3.44Å; S247-P365 VanDerWaalsContact CB-CB 3.46Å; S247-P365 WeakPolarHBondContact O-CB 3.39Å | ||
| 248 | D | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -90.1 | -43.3 | 174 | 55.7 | -17.3 | 0 | 0 | 0 | 112.8 | G42 N73 T79 N82 H83 | G42-D248 PolarHBondContact N-OD1 2.96Å; N73-D248 VanDerWaalsContact CB-O 3.23Å; N73-D248 WeakPolarHBondContact CB-O 3.33Å; N73-D248 PolarHBondContact ND2-O 2.9Å; T79-D248 WeakPolarHBondContact CA-OD2 3.25Å; N82-D248 HydrophobicContact CB-CB 3.71Å; H83-D248 VanDerWaalsContact CE1-CB 3.48Å; H83-D248 WeakPolarHBondContact CE1-CB 3.46Å; H83-D248 IonicContact CE1-OD1 2.82Å; H83-D248 IonicContact CE1-OD2 2.68Å; H83-D248 PolarHBondContact CE1-OD2 3.25Å; H83-D248 IonicContact ND1-OD2 2.78Å; H83-D248 PolarHBondContact ND1-OD2 3.25Å; H83-D248 VanDerWaalsContact ND1-OD2 3.14Å |
| 249 | H | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -148.4 | -179.4 | 177.4 | 56.6 | 74.5 | 0 | 0 | 0 | 112.7 | D41 G42 N73 T77 T79 D201 S247 H354 M363 | D41-H249 IonicContact OD1-CE1 3.58Å; D41-H249 IonicContact OD1-NE2 2.99Å; D41-H249 PolarHBondContact OD1-NE2 3.4Å; G42-H249 CarbonylContact C-O 3.51Å; G42-H249 VanDerWaalsContact C-O 3.29Å; G42-H249 VanDerWaalsContact CA-O 3.31Å; G42-H249 WeakPolarHBondContact CA-O 3.36Å; N73-H249 WeakPolarHBondContact ND2-CA 3.25Å; N73-H249 WeakPolarHBondContact ND2-CB 3.26Å; T77-H249 PolarHBondContact O-CD2 2.89Å; T79-H249 PolarHBondContact OG1-NE2 3.43Å; D201-H249 IonicContact OD1-CE1 2.79Å; D201-H249 PolarHBondContact OD1-CE1 3.28Å; S247-H249 PolarHBondContact OG-O 3.48Å; H249-H354 AromaticContact CD2-CE1 3.88Å; H249-H354 AromaticContact CD2-ND1 3.5Å; H249-H354 PolarHBondContact CD2-ND1 3.31Å; H249-H354 AromaticContact CE1-CD2 3.43Å; H249-H354 PolarHBondContact CE1-CD2 3.14Å; H249-H354 VanDerWaalsContact CE1-CD2 3.43Å; H249-H354 AromaticContact CE1-CE1 3.34Å; H249-H354 PolarHBondContact CE1-CE1 3.02Å; H249-H354 AromaticContact CE1-CG 3.28Å; H249-H354 AromaticContact CE1-ND1 3.23Å; H249-H354 PolarHBondContact CE1-ND1 2.99Å; H249-H354 AromaticContact CE1-NE2 3.54Å; H249-H354 AromaticContact CG-ND1 3.76Å; H249-H354 AromaticContact ND1-CD2 3.96Å; H249-H354 AromaticContact ND1-CG 3.44Å; H249-H354 AromaticContact ND1-ND1 3.58Å; H249-H354 AromaticContact NE2-CD2 3.97Å; H249-H354 AromaticContact NE2-CE1 3.06Å; H249-H354 PolarHBondContact NE2-CE1 3.31Å; H249-H354 AromaticContact NE2-CG 3.68Å; H249-H354 AromaticContact NE2-ND1 3.09Å; H249-H354 PolarHBondContact NE2-ND1 3.29Å; H249-H354 AromaticContact NE2-NE2 3.68Å; H249-M363 CarbonylContact C-O 3.52Å; H249-M363 WeakPolarHBondContact CA-O 3.36Å | ||
| 250 | G | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -102.9 | -151.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D362 M363 | G250-D362 CarbonylContact C-O 3.55Å; G250-D362 VanDerWaalsContact CA-O 3.27Å; G250-D362 WeakPolarHBondContact CA-O 3.37Å; G250-M363 VanDerWaalsContact N-C 3.3Å; G250-M363 PolarHBondContact N-O 2.99Å | ||
| 251 | M | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | trans | -155.2 | 139.6 | -174.9 | -175.1 | 65 | 62.8 | 0 | 0 | 110.1 | R44 D201 P209 M353 D362 | R44-M251 PolarHBondContact NH1-O 2.97Å; D201-M251 WeakPolarHBondContact OD1-CE 3.39Å; P209-M251 HydrophobicContact CB-CB 4.16Å; P209-M251 HydrophobicContact CB-CG 4.13Å; P209-M251 HydrophobicContact CG-CG 4.42Å; M251-M353 VanDerWaalsContact SD-CA 3.57Å; M251-M353 PolarHBondContact SD-N 3.49Å; M251-M353 VanDerWaalsContact SD-O 3.34Å; M251-D362 PolarHBondContact N-O 3.43Å | ||
| 252 | A | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 148.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L332 G352 M353 Y356 D362 M363 | A252-L332 HydrophobicContact CB-CD1 3.41Å; A252-L332 VanDerWaalsContact CB-CD1 3.41Å; A252-L332 HydrophobicContact CB-CG 4.33Å; A252-G352 CarbonylContact O-C 3.48Å; A252-G352 WeakPolarHBondContact O-CA 3.4Å; A252-M353 PolarHBondContact N-O 2.61Å; A252-M353 PolarHBondContact O-N 3.27Å; A252-Y356 HydrophobicContact CB-CD2 4.18Å; A252-Y356 HydrophobicContact CB-CE2 3.81Å; A252-D362 HydrophobicContact CB-CB 4.14Å; A252-M363 HydrophobicContact CB-CE 3.89Å |
| 253 | S | 96.7 | Very high | 95.7 | Very high | 42 Ų | 42 | 27.3 Ų | 27.3 | 29% | 0.294 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 145.2 | 173.7 | 53.8 | 0 | 0 | 0 | 0 | 110.9 | H333 G351 | S253-H333 WeakPolarHBondContact O-CA 3.25Å; S253-H333 WeakPolarHBondContact O-CB 3.4Å; S253-H333 PolarHBondContact O-ND1 3.02Å; S253-H333 PolarHBondContact OG-ND1 2.99Å; S253-G351 WeakPolarHBondContact CA-O 3.29Å |
| 254 | V | 94.5 | Very high | 95.4 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | trans | -133.4 | 144.6 | 173 | -68.1 | 0 | 0 | 0 | 0 | 109.8 | F335 T350 G351 M353 Y356 | V254-F335 HydrophobicContact CB-CD1 4.27Å; V254-T350 CarbonylContact O-C 3.44Å; V254-G351 PolarHBondContact N-O 3.09Å; V254-G351 VanDerWaalsContact N-O 3.11Å; V254-M353 HydrophobicContact CG1-CB 3.85Å; V254-M353 HydrophobicContact CG1-CG 3.92Å; V254-M353 HydrophobicContact CG1-SD 4.06Å; V254-M353 HydrophobicContact CG2-CB 4.44Å; V254-M353 HydrophobicContact CG2-CE 4.22Å; V254-M353 HydrophobicContact CG2-CG 3.81Å; V254-M353 HydrophobicContact CG2-SD 4.32Å; V254-Y356 WeakPolarHBondContact CG1-OH 3.1Å | ||
| 255 | Q | 91.3 | Very high | 95.2 | Very high | 125 Ų | 125 | 36.2 Ų | 36.2 | 58% | 0.584 | 19% | 0.193 | S | C | * | . | trans | -113.5 | 145.9 | 176.2 | -61.9 | -175 | 23.7 | 0 | 0 | 110 | S257 N258 F335 | Q255-S257 PolarHBondContact O-N 3.43Å; Q255-N258 WeakPolarHBondContact O-CB 3.14Å; Q255-N258 PolarHBondContact O-N 2.87Å; Q255-F335 WeakPolarHBondContact O-CE1 3.34Å | ||
| 256 | K | 89.2 | Confident | 94.9 | Very high | 124 Ų | 124 | 36.7 Ų | 36.7 | 54% | 0.539 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -50.5 | -34.2 | 176.4 | -77.4 | -173.2 | 179.5 | -133 | 0 | 113.5 | N258 A259 E347 T350 | K256-N258 PolarHBondContact O-N 3.01Å; K256-A259 PolarHBondContact O-N 2.91Å; K256-E347 IonicContact NZ-OE2 2.81Å; K256-E347 PolarHBondContact NZ-OE2 2.84Å; K256-T350 HydrophobicContact CB-CG2 4.18Å; K256-T350 HydrophobicContact CD-CG2 4.17Å; K256-T350 VanDerWaalsContact CE-OG1 3.27Å; K256-T350 WeakPolarHBondContact CE-OG1 3.24Å; K256-T350 HydrophobicContact CG-CG2 3.17Å; K256-T350 WeakPolarHBondContact CG-OG1 3.5Å |
| 257 | S | 91.8 | Very high | 94.4 | Very high | 84 Ų | 84 | 42 Ų | 42 | 59% | 0.587 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -67.1 | -17 | 178.7 | 52.4 | 0 | 0 | 0 | 0 | 114.4 | Q255 A259 | Q255-S257 PolarHBondContact O-N 3.43Å; S257-A259 VanDerWaalsContact C-N 3.28Å; S257-A259 PolarHBondContact O-N 2.83Å |
| 258 | N | 94.8 | Very high | 93.9 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 16% | 0.16 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -96.1 | 24.2 | -178.2 | -62.6 | 9.3 | 0 | 0 | 0 | 111.9 | Q255 K256 H333 W334 F335 | Q255-N258 WeakPolarHBondContact O-CB 3.14Å; Q255-N258 PolarHBondContact O-N 2.87Å; K256-N258 PolarHBondContact O-N 3.01Å; N258-H333 WeakPolarHBondContact CB-O 3.45Å; N258-H333 PolarHBondContact ND2-O 3.16Å; N258-W334 VanDerWaalsContact C-CE3 3.44Å; N258-W334 HydrophobicContact CB-CD2 3.71Å; N258-W334 HydrophobicContact CB-CE3 3.79Å; N258-W334 HydrophobicContact CB-CG 4.12Å; N258-W334 HydrophobicContact CB-CH2 4.48Å; N258-W334 HydrophobicContact CB-CZ2 4.42Å; N258-W334 HydrophobicContact CB-CZ3 4.18Å; N258-F335 PolarHBondContact O-N 3.47Å |
| 259 | A | 93.7 | Very high | 93.3 | Very high | 37 Ų | 37 | 52.8 Ų | 52.8 | 31% | 0.306 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 129 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | K256 S257 F335 V337 | K256-A259 PolarHBondContact O-N 2.91Å; S257-A259 VanDerWaalsContact C-N 3.28Å; S257-A259 PolarHBondContact O-N 2.83Å; A259-F335 CarbonylContact C-O 3.39Å; A259-F335 WeakPolarHBondContact CA-O 3.42Å; A259-F335 HydrophobicContact CB-CE1 4.1Å; A259-F335 HydrophobicContact CB-CE2 3.87Å; A259-F335 HydrophobicContact CB-CZ 3.59Å; A259-V337 HydrophobicContact CB-CG1 4.39Å; A259-V337 HydrophobicContact CB-CG2 4.2Å |
| 260 | I | 94.7 | Very high | 93 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 108.6 | 174.3 | -55.7 | 164 | 0 | 0 | 0 | 107.4 | L262 M265 H300 H302 M303 A330 W334 F335 M336 V337 | I260-L262 HydrophobicContact CG2-CD2 4.46Å; I260-L262 PolarHBondContact O-N 3Å; I260-M265 HydrophobicContact CG2-CE 3.64Å; I260-H300 HydrophobicContact CG2-CB 4.17Å; I260-H302 WeakPolarHBondContact CD1-O 3.37Å; I260-M303 HydrophobicContact CD1-CB 4.06Å; I260-M303 HydrophobicContact CG2-SD 4.11Å; I260-A330 HydrophobicContact CD1-CB 4.36Å; I260-W334 HydrophobicContact CD1-CB 4.09Å; I260-W334 HydrophobicContact CD1-CE3 4.24Å; I260-W334 HydrophobicContact CG1-CE3 3.78Å; I260-W334 HydrophobicContact CG1-CZ3 4.43Å; I260-F335 PolarHBondContact N-O 3.24Å; I260-M336 HydrophobicContact CB-CG 4.08Å; I260-M336 HydrophobicContact CD1-CG 4.1Å; I260-M336 HydrophobicContact CG2-CG 4.45Å; I260-M336 WeakPolarHBondContact O-CA 3.49Å; I260-V337 PolarHBondContact O-N 3.01Å |
| 261 | N | 93.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 54 Ų | 54 | 26% | 0.262 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 104.9 | -178.4 | -173.4 | 4.6 | 0 | 0 | 0 | 111.4 | D263 E264 V337 | N261-D263 PolarHBondContact O-N 3.23Å; N261-D263 WeakPolarHBondContact OD1-CB 3.35Å; N261-D263 PolarHBondContact OD1-N 3.27Å; N261-D263 VanDerWaalsContact OD1-N 3.17Å; N261-E264 HydrophobicContact CB-CG 4.15Å; N261-E264 WeakPolarHBondContact CB-OE1 3.46Å; N261-E264 PolarHBondContact ND2-OE1 3.13Å; N261-E264 PolarHBondContact O-N 2.88Å; N261-V337 HydrophobicContact CB-CG2 4.27Å |
| 262 | L | 93.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -67.9 | -22.9 | -179.5 | -60 | -178.5 | 0 | 0 | 0 | 113 | I260 E264 M265 L266 L273 L280 L296 M303 L328 M336 V337 N338 | I260-L262 HydrophobicContact CG2-CD2 4.46Å; I260-L262 PolarHBondContact O-N 3Å; L262-E264 PolarHBondContact O-N 2.92Å; L262-M265 PolarHBondContact O-N 2.83Å; L262-M265 VanDerWaalsContact O-N 3.08Å; L262-L266 HydrophobicContact CB-CD1 4.29Å; L262-L266 WeakPolarHBondContact O-CB 3.15Å; L262-L266 PolarHBondContact O-N 3.41Å; L262-L273 HydrophobicContact CD1-CD2 4.38Å; L262-L280 HydrophobicContact CD1-CD1 3.59Å; L262-L296 HydrophobicContact CD2-CD2 4.23Å; L262-M303 HydrophobicContact CD2-SD 3.72Å; L262-L328 HydrophobicContact CD1-CD1 4.13Å; L262-L328 HydrophobicContact CD2-CD1 4.07Å; L262-M336 HydrophobicContact CD1-CB 4.31Å; L262-M336 HydrophobicContact CD2-CG 4.37Å; L262-M336 HydrophobicContact CD2-SD 4.46Å; L262-M336 HydrophobicContact CG-CB 4.35Å; L262-V337 PolarHBondContact N-O 2.77Å; L262-N338 HydrophobicContact CB-CB 4.13Å |
| 263 | D | 91 | Very high | 92.3 | Very high | 74 Ų | 74 | 61.1 Ų | 61.1 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -68.1 | -21 | 178.2 | -65.5 | -8.7 | 0 | 0 | 0 | 112.5 | N261 M265 G339 | N261-D263 PolarHBondContact O-N 3.23Å; N261-D263 WeakPolarHBondContact OD1-CB 3.35Å; N261-D263 PolarHBondContact OD1-N 3.27Å; N261-D263 VanDerWaalsContact OD1-N 3.17Å; D263-M265 PolarHBondContact O-N 3.24Å; D263-G339 PolarHBondContact OD1-N 2.88Å; D263-G339 WeakPolarHBondContact OD2-CA 2.86Å; D263-G339 PolarHBondContact OD2-N 2.98Å |
| 264 | E | 92.2 | Very high | 92.1 | Very high | 153 Ų | 153 | 60.5 Ų | 60.5 | 72% | 0.715 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -75.8 | -14.3 | 174.9 | -68.9 | 170.6 | -154.5 | 0 | 0 | 112.4 | N261 L262 | N261-E264 HydrophobicContact CB-CG 4.15Å; N261-E264 WeakPolarHBondContact CB-OE1 3.46Å; N261-E264 PolarHBondContact ND2-OE1 3.13Å; N261-E264 PolarHBondContact O-N 2.88Å; L262-E264 PolarHBondContact O-N 2.92Å |
| 265 | M | 94.2 | Very high | 91.8 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 18% | 0.177 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -33.8 | -175.5 | -68.9 | 176.8 | -118.4 | 0 | 0 | 112.3 | I260 L262 D263 S295 L296 K299 H300 M303 | I260-M265 HydrophobicContact CG2-CE 3.64Å; L262-M265 PolarHBondContact O-N 2.83Å; L262-M265 VanDerWaalsContact O-N 3.08Å; D263-M265 PolarHBondContact O-N 3.24Å; M265-S295 WeakPolarHBondContact CB-O 3.13Å; M265-S295 WeakPolarHBondContact O-CB 3.35Å; M265-L296 HydrophobicContact CB-CD2 4.2Å; M265-L296 HydrophobicContact SD-CD2 4.44Å; M265-K299 HydrophobicContact CG-CB 4.11Å; M265-K299 HydrophobicContact SD-CB 3.57Å; M265-K299 VanDerWaalsContact SD-CB 3.57Å; M265-H300 HydrophobicContact CE-CB 4.03Å; M265-H300 HydrophobicContact SD-CB 4.44Å; M265-M303 HydrophobicContact SD-CE 3.9Å |
| 266 | L | 92.3 | Very high | 91.4 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -106.9 | 137.7 | -169.7 | -69.3 | 178.8 | 0 | 0 | 0 | 114.1 | L262 Y271 L282 V292 L296 | L262-L266 HydrophobicContact CB-CD1 4.29Å; L262-L266 WeakPolarHBondContact O-CB 3.15Å; L262-L266 PolarHBondContact O-N 3.41Å; L266-Y271 HydrophobicContact CB-CD1 4.47Å; L266-Y271 HydrophobicContact CB-CE1 3.62Å; L266-Y271 HydrophobicContact CD1-CD1 4.21Å; L266-Y271 HydrophobicContact CD1-CD2 4.48Å; L266-Y271 HydrophobicContact CD1-CE1 3.62Å; L266-Y271 HydrophobicContact CD1-CE2 3.88Å; L266-Y271 VanDerWaalsContact CD1-CZ 3.42Å; L266-Y271 HydrophobicContact CG-CE1 4.16Å; L266-L282 HydrophobicContact CD1-CD1 3.82Å; L266-V292 HydrophobicContact CD2-CG1 3.8Å; L266-L296 HydrophobicContact CD1-CD1 4.26Å; L266-L296 HydrophobicContact CD1-CD2 3.99Å; L266-L296 HydrophobicContact CD1-CG 4.47Å; L266-L296 HydrophobicContact CD2-CD1 3.86Å; L266-L296 HydrophobicContact CD2-CD2 3.83Å; L266-L296 HydrophobicContact CD2-CG 3.66Å; L266-L296 HydrophobicContact CG-CD1 4.44Å; L266-L296 HydrophobicContact CG-CD2 3.77Å; L266-L296 HydrophobicContact CG-CG 4.19Å |
| 267 | E | 89.2 | Confident | 91.3 | Very high | 112 Ų | 112 | 51.3 Ų | 51.3 | 52% | 0.523 | 29% | 0.287 | S | S | . | . | trans | -72.1 | 126.3 | 169 | -172.2 | -176.5 | -177.1 | 0 | 0 | 110.5 | T270 | E267-T270 HydrophobicContact CB-CG2 3.87Å; E267-T270 HydrophobicContact CG-CG2 3.93Å; E267-T270 PolarHBondContact O-OG1 3.25Å | ||
| 268 | P | 87 | Confident | 91.5 | Very high | 90 Ų | 90 | 47.6 Ų | 47.6 | 58% | 0.584 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 152.3 | 177.4 | -26 | 34.6 | 0 | 0 | 0 | 113.4 | T270 | P268-T270 PolarHBondContact O-N 2.97Å; P268-T270 VanDerWaalsContact O-N 3.1Å |
| 269 | N | 87 | Confident | 91.5 | Very high | 137 Ų | 137 | 46.3 Ų | 46.3 | 73% | 0.733 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 7.9 | 177 | -51.2 | -58.3 | 0 | 0 | 0 | 116.2 | N285 | N269-N285 PolarHBondContact O-ND2 3.41Š|
| 270 | T | 91.5 | Very high | 91.6 | Very high | 10 Ų | 10 | 45 Ų | 45 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -89.6 | -7.9 | 175.7 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | E267 P268 N285 | E267-T270 HydrophobicContact CB-CG2 3.87Å; E267-T270 HydrophobicContact CG-CG2 3.93Å; E267-T270 PolarHBondContact O-OG1 3.25Å; P268-T270 PolarHBondContact O-N 2.97Å; P268-T270 VanDerWaalsContact O-N 3.1Å; T270-N285 WeakPolarHBondContact O-CB 3.21Å; T270-N285 VanDerWaalsContact O-CG 3.31Å; T270-N285 PolarHBondContact O-N 2.74Å |
| 271 | Y | 93.6 | Very high | 91.7 | Very high | 15 Ų | 15 | 45 Ų | 45 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 166.5 | -173.9 | 66 | -80.7 | 0 | 0 | 0 | 113.1 | L266 L273 L282 L283 | L266-Y271 HydrophobicContact CB-CD1 4.47Å; L266-Y271 HydrophobicContact CB-CE1 3.62Å; L266-Y271 HydrophobicContact CD1-CD1 4.21Å; L266-Y271 HydrophobicContact CD1-CD2 4.48Å; L266-Y271 HydrophobicContact CD1-CE1 3.62Å; L266-Y271 HydrophobicContact CD1-CE2 3.88Å; L266-Y271 VanDerWaalsContact CD1-CZ 3.42Å; L266-Y271 HydrophobicContact CG-CE1 4.16Å; Y271-L273 HydrophobicContact CD2-CB 4.33Å; Y271-L273 HydrophobicContact CE2-CB 4.15Å; Y271-L282 HydrophobicContact CD2-CD1 3.66Å; Y271-L282 HydrophobicContact CD2-CD2 4.38Å; Y271-L282 HydrophobicContact CD2-CG 3.77Å; Y271-L282 HydrophobicContact CE2-CD1 4.12Å; Y271-L282 HydrophobicContact CG-CD1 4.03Å; Y271-L282 HydrophobicContact CG-CD2 4.23Å; Y271-L282 HydrophobicContact CG-CG 4.11Å; Y271-L283 CarbonylContact C-O 3.59Å; Y271-L283 WeakPolarHBondContact CA-O 3.34Å |
| 272 | K | 93.9 | Very high | 91.8 | Very high | 110 Ų | 110 | 42.7 Ų | 42.7 | 48% | 0.478 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 149.1 | 162.3 | -61.8 | 178.8 | -177.9 | 177.4 | 0 | 109.5 | F274 L282 L283 | K272-F274 HydrophobicContact CB-CE2 3.9Å; K272-F274 HydrophobicContact CB-CZ 3.86Å; K272-F274 HydrophobicContact CD-CZ 4.2Å; K272-L282 WeakPolarHBondContact O-CA 3.39Å; K272-L283 HydrophobicContact CB-CB 4.37Å; K272-L283 PolarHBondContact N-O 2.89Å; K272-L283 PolarHBondContact O-N 3.38Å |
| 273 | L | 92.8 | Very high | 91.9 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.4 | -177 | -166 | 72.3 | 0 | 0 | 0 | 110.5 | L262 Y271 L280 L282 N338 | L262-L273 HydrophobicContact CD1-CD2 4.38Å; Y271-L273 HydrophobicContact CD2-CB 4.33Å; Y271-L273 HydrophobicContact CE2-CB 4.15Å; L273-L280 HydrophobicContact CD1-CB 3.97Å; L273-L280 HydrophobicContact CD1-CD1 4.18Å; L273-L280 HydrophobicContact CD1-CD2 4.05Å; L273-L280 HydrophobicContact CD1-CG 4.31Å; L273-L280 HydrophobicContact CD2-CD1 3.9Å; L273-L280 HydrophobicContact CD2-CD2 3.77Å; L273-L280 HydrophobicContact CD2-CG 4.41Å; L273-L280 HydrophobicContact CG-CD1 4.42Å; L273-L280 HydrophobicContact CG-CD2 3.78Å; L273-L282 HydrophobicContact CD1-CB 4.11Å; L273-L282 HydrophobicContact CD1-CD1 4.26Å; L273-L282 HydrophobicContact CD1-CG 4.32Å; L273-N338 WeakPolarHBondContact CD2-ND2 3.36Å |
| 274 | F | 92.9 | Very high | 92.2 | Very high | 29 Ų | 29 | 42 Ų | 42 | 13% | 0.127 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 158 | 177 | -49.5 | -76.3 | 0 | 0 | 0 | 109.7 | Y103 K272 L280 N281 L283 M324 | Y103-F274 VanDerWaalsContact CB-CE1 3.4Å; Y103-F274 HydrophobicContact CD1-CE2 4.15Å; Y103-F274 HydrophobicContact CD1-CZ 4.09Å; Y103-F274 HydrophobicContact CD2-CE1 4.41Å; Y103-F274 HydrophobicContact CD2-CZ 4.23Å; Y103-F274 HydrophobicContact CG-CE1 4.04Å; Y103-F274 HydrophobicContact CG-CE2 4.05Å; Y103-F274 AromaticContact CG-CZ 3.65Å; Y103-F274 HydrophobicContact CG-CZ 3.65Å; K272-F274 HydrophobicContact CB-CE2 3.9Å; K272-F274 HydrophobicContact CB-CZ 3.86Å; K272-F274 HydrophobicContact CD-CZ 4.2Å; F274-L280 WeakPolarHBondContact O-CD2 3.44Å; F274-N281 HydrophobicContact CB-CB 4.24Å; F274-N281 PolarHBondContact N-O 3.19Å; F274-N281 PolarHBondContact O-N 3.15Å; F274-L283 HydrophobicContact CE2-CB 4.05Å; F274-L283 HydrophobicContact CE2-CD2 4.34Å; F274-M324 HydrophobicContact CD2-CG 4.04Å; F274-M324 HydrophobicContact CD2-SD 4.34Å; F274-M324 HydrophobicContact CE2-SD 4.3Å |
| 275 | G | 89 | Confident | 92.5 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 8% | 0.082 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 99.8 | -168.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D99 Q101 | D99-G275 VanDerWaalsContact CG-CA 3.5Å; D99-G275 WeakPolarHBondContact OD2-CA 3.13Å; Q101-G275 VanDerWaalsContact O-CA 3.27Å; Q101-G275 WeakPolarHBondContact O-CA 3.3Å; Q101-G275 PolarHBondContact O-N 2.87Å |
| 276 | G | 82 | Confident | 92.6 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | trans | -98.4 | -162.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G279 L280 | G276-G279 PolarHBondContact N-O 3.02Å; G276-L280 WeakPolarHBondContact O-CD2 3.28Å; G276-L280 WeakPolarHBondContact O-CG 3.44Å | ||
| 277 | A | 88.4 | Confident | 92.8 | Very high | 24 Ų | 24 | 50 Ų | 50 | 20% | 0.198 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -82.6 | -19.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F335 M336 M353 | A277-F335 HydrophobicContact CB-CB 4.06Å; A277-F335 HydrophobicContact CB-CD2 4.44Å; A277-F335 CarbonylContact O-C 3.57Å; A277-F335 WeakPolarHBondContact O-CA 3.37Å; A277-M336 PolarHBondContact O-N 3.49Å; A277-M353 HydrophobicContact CB-CE 3.83Å; A277-M353 HydrophobicContact CB-SD 3.82Å |
| 278 | T | 94.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -102.6 | -30.8 | -174.2 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | A330 M336 M353 H354 G355 Y356 | T278-A330 PolarHBondContact O-N 2.81Å; T278-M336 WeakPolarHBondContact O-CE 3.3Å; T278-M353 HydrophobicContact CG2-CB 3.93Å; T278-M353 HydrophobicContact CG2-SD 3.88Å; T278-H354 VanDerWaalsContact CG2-O 3.3Å; T278-H354 WeakPolarHBondContact CG2-O 3.43Å; T278-H354 PolarHBondContact OG1-O 3.43Å; T278-G355 WeakPolarHBondContact OG1-CA 3.35Å; T278-Y356 HydrophobicContact CG2-CD1 4.13Å; T278-Y356 HydrophobicContact CG2-CD2 4.44Å; T278-Y356 HydrophobicContact CG2-CE1 3.53Å; T278-Y356 HydrophobicContact CG2-CE2 3.87Å |
| 279 | G | 95 | Very high | 93.6 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110 | G276 L328 | G276-G279 PolarHBondContact N-O 3.02Å; G279-L328 CarbonylContact C-O 3.57Å; G279-L328 WeakPolarHBondContact CA-O 3.47Å |
| 280 | L | 95.5 | Very high | 94.1 | Very high | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 128.9 | -177.2 | -78.2 | 173.2 | 0 | 0 | 0 | 112 | L262 L273 F274 G276 F327 L328 M336 | L262-L280 HydrophobicContact CD1-CD1 3.59Å; L273-L280 HydrophobicContact CD1-CB 3.97Å; L273-L280 HydrophobicContact CD1-CD1 4.18Å; L273-L280 HydrophobicContact CD1-CD2 4.05Å; L273-L280 HydrophobicContact CD1-CG 4.31Å; L273-L280 HydrophobicContact CD2-CD1 3.9Å; L273-L280 HydrophobicContact CD2-CD2 3.77Å; L273-L280 HydrophobicContact CD2-CG 4.41Å; L273-L280 HydrophobicContact CG-CD1 4.42Å; L273-L280 HydrophobicContact CG-CD2 3.78Å; F274-L280 WeakPolarHBondContact O-CD2 3.44Å; G276-L280 WeakPolarHBondContact O-CD2 3.28Å; G276-L280 WeakPolarHBondContact O-CG 3.44Å; L280-F327 CarbonylContact O-C 3.42Å; L280-F327 WeakPolarHBondContact O-CA 3.47Å; L280-F327 WeakPolarHBondContact O-CD2 3.46Å; L280-L328 HydrophobicContact CB-CB 4.2Å; L280-L328 HydrophobicContact CB-CD1 4.43Å; L280-L328 PolarHBondContact N-O 2.99Å; L280-L328 PolarHBondContact O-N 2.73Å; L280-M336 HydrophobicContact CB-CE 4.14Å; L280-M336 HydrophobicContact CD1-CB 3.65Å; L280-M336 HydrophobicContact CD1-CE 3.91Å; L280-M336 HydrophobicContact CD1-CG 4.39Å; L280-M336 HydrophobicContact CD1-SD 3.91Å; L280-M336 HydrophobicContact CG-CE 3.95Å |
| 281 | N | 96.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 118.1 | 173.5 | -85 | -79.7 | 0 | 0 | 0 | 109.7 | F274 Y317 V323 M324 | F274-N281 HydrophobicContact CB-CB 4.24Å; F274-N281 PolarHBondContact N-O 3.19Å; F274-N281 PolarHBondContact O-N 3.15Å; N281-Y317 PolarHBondContact ND2-OH 2.85Å; N281-V323 WeakPolarHBondContact OD1-CA 3.42Å; N281-M324 HydrophobicContact CB-CB 3.97Å; N281-M324 HydrophobicContact CB-CG 3.71Å; N281-M324 PolarHBondContact OD1-N 3.1Å |
| 282 | L | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.6 | -177.3 | -169 | 155.4 | 0 | 0 | 0 | 110.5 | L266 Y271 K272 L273 P284 V292 L296 M324 I326 | L266-L282 HydrophobicContact CD1-CD1 3.82Å; Y271-L282 HydrophobicContact CD2-CD1 3.66Å; Y271-L282 HydrophobicContact CD2-CD2 4.38Å; Y271-L282 HydrophobicContact CD2-CG 3.77Å; Y271-L282 HydrophobicContact CE2-CD1 4.12Å; Y271-L282 HydrophobicContact CG-CD1 4.03Å; Y271-L282 HydrophobicContact CG-CD2 4.23Å; Y271-L282 HydrophobicContact CG-CG 4.11Å; K272-L282 WeakPolarHBondContact O-CA 3.39Å; L273-L282 HydrophobicContact CD1-CB 4.11Å; L273-L282 HydrophobicContact CD1-CD1 4.26Å; L273-L282 HydrophobicContact CD1-CG 4.32Å; L282-P284 HydrophobicContact CD2-CB 4.49Å; L282-P284 HydrophobicContact CD2-CG 3.68Å; L282-P284 WeakPolarHBondContact O-CD 3.26Å; L282-V292 HydrophobicContact CD1-CG1 4Å; L282-V292 HydrophobicContact CD2-CG1 3.53Å; L282-V292 HydrophobicContact CG-CG1 4.46Å; L282-L296 HydrophobicContact CD1-CD1 3.96Å; L282-M324 VanDerWaalsContact O-CB 3.24Å; L282-M324 WeakPolarHBondContact O-CB 3.39Å; L282-I326 HydrophobicContact CB-CB 4.17Å; L282-I326 HydrophobicContact CB-CG2 4.38Å; L282-I326 HydrophobicContact CD2-CB 4.33Å; L282-I326 HydrophobicContact CD2-CD1 4.23Å; L282-I326 PolarHBondContact N-O 3.12Å; L282-I326 PolarHBondContact O-N 3.35Å |
| 283 | L | 96.6 | Very high | 94.7 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 24% | 0.236 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 100.4 | 175.4 | -179.2 | 60 | 0 | 0 | 0 | 110 | Y103 Y271 K272 F274 M324 P325 | Y103-L283 HydrophobicContact CD1-CD2 4.21Å; Y103-L283 HydrophobicContact CE1-CD2 4.11Å; Y271-L283 CarbonylContact C-O 3.59Å; Y271-L283 WeakPolarHBondContact CA-O 3.34Å; K272-L283 HydrophobicContact CB-CB 4.37Å; K272-L283 PolarHBondContact N-O 2.89Å; K272-L283 PolarHBondContact O-N 3.38Å; F274-L283 HydrophobicContact CE2-CB 4.05Å; F274-L283 HydrophobicContact CE2-CD2 4.34Å; L283-M324 HydrophobicContact CB-CB 4.47Å; L283-M324 HydrophobicContact CB-CG 4.2Å; L283-M324 HydrophobicContact CB-SD 3.77Å; L283-M324 HydrophobicContact CD1-SD 4.04Å; L283-M324 HydrophobicContact CD2-SD 4.06Å; L283-M324 HydrophobicContact CG-SD 4.17Å; L283-P325 HydrophobicContact CD1-CG 4.13Å |
| 284 | P | 97.1 | Very high | 94.9 | Very high | 14 Ų | 14 | 46.8 Ų | 46.8 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 151.1 | 176.9 | -20.1 | 34.2 | 0 | 0 | 0 | 111.6 | L282 K288 E289 V292 I326 | L282-P284 HydrophobicContact CD2-CB 4.49Å; L282-P284 HydrophobicContact CD2-CG 3.68Å; L282-P284 WeakPolarHBondContact O-CD 3.26Å; P284-K288 HydrophobicContact CB-CB 4.41Å; P284-E289 HydrophobicContact CB-CB 4.21Å; P284-E289 HydrophobicContact CG-CB 4.08Å; P284-E289 HydrophobicContact CG-CG 4.2Å; P284-V292 HydrophobicContact CB-CG2 4.38Å; P284-V292 HydrophobicContact CG-CB 4.49Å; P284-I326 HydrophobicContact CG-CD1 3.79Å; P284-I326 HydrophobicContact CG-CG1 4.34Å |
| 285 | N | 97.1 | Very high | 95.1 | Very high | 73 Ų | 73 | 47.4 Ų | 47.4 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 154.8 | 166.2 | -70.4 | -17 | 0 | 0 | 0 | 110.2 | N269 T270 G287 K288 | N269-N285 PolarHBondContact O-ND2 3.41Å; T270-N285 WeakPolarHBondContact O-CB 3.21Å; T270-N285 VanDerWaalsContact O-CG 3.31Å; T270-N285 PolarHBondContact O-N 2.74Å; N285-G287 PolarHBondContact O-N 3.14Å; N285-G287 VanDerWaalsContact O-N 3.13Å; N285-K288 HydrophobicContact CB-CB 4.41Å; N285-K288 HydrophobicContact CB-CG 4.21Å; N285-K288 WeakPolarHBondContact O-CB 3.11Å; N285-K288 PolarHBondContact O-N 2.88Å |
| 286 | K | 96.3 | Very high | 95.5 | Very high | 214 Ų | 214 | 47 Ų | 47 | 93% | 0.93 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 123.1 | 179.1 | -176.6 | 176.3 | -179.5 | 178.3 | 0 | 110.9 | ||
| 287 | G | 96.5 | Very high | 96.3 | Very high | 80 Ų | 80 | 49.5 Ų | 49.5 | 83% | 0.825 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -0.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | N285 | N285-G287 PolarHBondContact O-N 3.14Å; N285-G287 VanDerWaalsContact O-N 3.13Å |
| 288 | K | 97 | Very high | 96.6 | Very high | 63 Ų | 63 | 51.7 Ų | 51.7 | 27% | 0.274 | 29% | 0.291 | S | S | . | . | trans | -102.3 | -2 | -179.1 | -68.4 | -66 | -162.6 | 162.4 | 0 | 114.6 | P284 N285 E290 E291 V292 | P284-K288 HydrophobicContact CB-CB 4.41Å; N285-K288 HydrophobicContact CB-CB 4.41Å; N285-K288 HydrophobicContact CB-CG 4.21Å; N285-K288 WeakPolarHBondContact O-CB 3.11Å; N285-K288 PolarHBondContact O-N 2.88Å; K288-E290 PolarHBondContact O-N 3.19Å; K288-E291 WeakPolarHBondContact CD-OE2 3.28Å; K288-E291 IonicContact NZ-OE1 2.79Å; K288-E291 PolarHBondContact NZ-OE1 3.38Å; K288-E291 IonicContact NZ-OE2 2.73Å; K288-E291 PolarHBondContact NZ-OE2 3.06Å; K288-E291 PolarHBondContact O-N 2.03Å; K288-V292 HydrophobicContact CB-CG2 4.32Å; K288-V292 WeakPolarHBondContact O-CB 3.24Å; K288-V292 WeakPolarHBondContact O-CG2 3.36Å; K288-V292 PolarHBondContact O-N 3.1Å | ||
| 289 | E | 97.4 | Very high | 96.7 | Very high | 85 Ų | 85 | 57.5 Ų | 57.5 | 40% | 0.397 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.6 | -50.4 | -173.8 | -176.8 | 179.1 | 144.5 | 0 | 0 | 113.6 | P284 E291 V292 F293 P325 I326 | P284-E289 HydrophobicContact CB-CB 4.21Å; P284-E289 HydrophobicContact CG-CB 4.08Å; P284-E289 HydrophobicContact CG-CG 4.2Å; E289-E291 PolarHBondContact O-N 3.4Å; E289-V292 PolarHBondContact O-N 3.03Å; E289-F293 WeakPolarHBondContact O-CB 3.39Å; E289-F293 PolarHBondContact O-N 3.02Å; E289-P325 HydrophobicContact CG-CB 4.39Å; E289-I326 HydrophobicContact CG-CD1 4.38Å; E289-I326 HydrophobicContact CG-CG1 4.49Å |
| 290 | E | 97.4 | Very high | 96.8 | Very high | 86 Ų | 86 | 59.2 Ų | 59.2 | 40% | 0.402 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.2 | -39.5 | -178.4 | -172.4 | 59.6 | -152.5 | 0 | 0 | 112.3 | K288 F293 Q294 K307 | K288-E290 PolarHBondContact O-N 3.19Å; E290-F293 PolarHBondContact O-N 3.18Å; E290-Q294 WeakPolarHBondContact O-CB 3.26Å; E290-Q294 VanDerWaalsContact O-CG 3.29Å; E290-Q294 WeakPolarHBondContact O-CG 3.47Å; E290-Q294 PolarHBondContact O-N 3.2Å; E290-Q294 PolarHBondContact OE1-NE2 2.93Å; E290-K307 IonicContact OE2-NZ 3.36Å; E290-K307 PolarHBondContact OE2-NZ 3.04Å |
| 291 | E | 96.6 | Very high | 96.9 | Very high | 74 Ų | 74 | 63.9 Ų | 63.9 | 35% | 0.346 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 177.1 | -178.5 | -173.3 | 132.1 | 0 | 0 | 111.3 | K288 E289 S295 | K288-E291 WeakPolarHBondContact CD-OE2 3.28Å; K288-E291 IonicContact NZ-OE1 2.79Å; K288-E291 PolarHBondContact NZ-OE1 3.38Å; K288-E291 IonicContact NZ-OE2 2.73Å; K288-E291 PolarHBondContact NZ-OE2 3.06Å; K288-E291 PolarHBondContact O-N 2.03Å; E289-E291 PolarHBondContact O-N 3.4Å; E291-S295 WeakPolarHBondContact O-CB 2.94Å; E291-S295 PolarHBondContact O-N 2.77Å; E291-S295 VanDerWaalsContact O-N 3.12Å; E291-S295 PolarHBondContact O-OG 3.36Å; E291-S295 VanDerWaalsContact O-OG 3.08Å |
| 292 | V | 97 | Very high | 96.9 | Very high | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 177.4 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L266 L282 P284 K288 E289 S295 L296 I326 | L266-V292 HydrophobicContact CD2-CG1 3.8Å; L282-V292 HydrophobicContact CD1-CG1 4Å; L282-V292 HydrophobicContact CD2-CG1 3.53Å; L282-V292 HydrophobicContact CG-CG1 4.46Å; P284-V292 HydrophobicContact CB-CG2 4.38Å; P284-V292 HydrophobicContact CG-CB 4.49Å; K288-V292 HydrophobicContact CB-CG2 4.32Å; K288-V292 WeakPolarHBondContact O-CB 3.24Å; K288-V292 WeakPolarHBondContact O-CG2 3.36Å; K288-V292 PolarHBondContact O-N 3.1Å; E289-V292 PolarHBondContact O-N 3.03Å; V292-S295 PolarHBondContact O-N 3.18Å; V292-L296 HydrophobicContact CG1-CD1 4.08Å; V292-L296 PolarHBondContact O-N 3.14Å; V292-I326 HydrophobicContact CB-CD1 4.16Å; V292-I326 HydrophobicContact CG1-CD1 3.9Å |
| 293 | F | 97.8 | Very high | 97 | Very high | 22 Ų | 22 | 67.3 Ų | 67.3 | 10% | 0.096 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 177.2 | -177.5 | -94.2 | 0 | 0 | 0 | 111.6 | E289 E290 S295 L296 D297 T305 K307 I326 | E289-F293 WeakPolarHBondContact O-CB 3.39Å; E289-F293 PolarHBondContact O-N 3.02Å; E290-F293 PolarHBondContact O-N 3.18Å; F293-S295 PolarHBondContact O-N 3.44Å; F293-L296 PolarHBondContact O-N 2.88Å; F293-D297 HydrophobicContact CD1-CB 4.13Å; F293-D297 HydrophobicContact CE1-CB 3.65Å; F293-D297 HydrophobicContact CE2-CB 4.45Å; F293-D297 HydrophobicContact CZ-CB 3.83Å; F293-D297 WeakPolarHBondContact O-CB 3.35Å; F293-D297 PolarHBondContact O-N 2.97Å; F293-T305 HydrophobicContact CD2-CG2 3.65Å; F293-T305 HydrophobicContact CE2-CG2 3.54Å; F293-T305 HydrophobicContact CZ-CG2 4.37Å; F293-K307 HydrophobicContact CD2-CD 4.49Å; F293-K307 HydrophobicContact CD2-CG 3.64Å; F293-K307 HydrophobicContact CE2-CD 4.49Å; F293-K307 HydrophobicContact CE2-CG 3.54Å; F293-K307 HydrophobicContact CG-CG 4.27Å; F293-K307 HydrophobicContact CZ-CG 4.09Å; F293-I326 HydrophobicContact CB-CD1 3.79Å; F293-I326 HydrophobicContact CD2-CD1 4.42Å; F293-I326 HydrophobicContact CD2-CG1 4.33Å |
| 294 | Q | 97.2 | Very high | 97.1 | Very high | 114 Ų | 114 | 69.1 Ų | 69.1 | 53% | 0.533 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.1 | -26 | 179.8 | -71.3 | 177.9 | 8.6 | 0 | 0 | 113.6 | E290 L296 K299 | E290-Q294 WeakPolarHBondContact O-CB 3.26Å; E290-Q294 VanDerWaalsContact O-CG 3.29Å; E290-Q294 WeakPolarHBondContact O-CG 3.47Å; E290-Q294 PolarHBondContact O-N 3.2Å; E290-Q294 PolarHBondContact OE1-NE2 2.93Å; Q294-L296 PolarHBondContact O-N 3.09Å; Q294-K299 WeakPolarHBondContact O-CE 3.3Å |
| 295 | S | 96.7 | Very high | 97.1 | Very high | 42 Ų | 42 | 69 Ų | 69 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -11.3 | 173.1 | -69.8 | 0 | 0 | 0 | 0 | 113.6 | M265 E291 V292 F293 K299 | M265-S295 WeakPolarHBondContact CB-O 3.13Å; M265-S295 WeakPolarHBondContact O-CB 3.35Å; E291-S295 WeakPolarHBondContact O-CB 2.94Å; E291-S295 PolarHBondContact O-N 2.77Å; E291-S295 VanDerWaalsContact O-N 3.12Å; E291-S295 PolarHBondContact O-OG 3.36Å; E291-S295 VanDerWaalsContact O-OG 3.08Å; V292-S295 PolarHBondContact O-N 3.18Å; F293-S295 PolarHBondContact O-N 3.44Å; S295-K299 WeakPolarHBondContact O-CG 3.45Å |
| 296 | L | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -40.2 | -178.7 | -68.4 | 168.2 | 0 | 0 | 0 | 112.9 | L262 M265 L266 L282 V292 F293 Q294 G298 K299 M303 T305 I326 L328 | L262-L296 HydrophobicContact CD2-CD2 4.23Å; M265-L296 HydrophobicContact CB-CD2 4.2Å; M265-L296 HydrophobicContact SD-CD2 4.44Å; L266-L296 HydrophobicContact CD1-CD1 4.26Å; L266-L296 HydrophobicContact CD1-CD2 3.99Å; L266-L296 HydrophobicContact CD1-CG 4.47Å; L266-L296 HydrophobicContact CD2-CD1 3.86Å; L266-L296 HydrophobicContact CD2-CD2 3.83Å; L266-L296 HydrophobicContact CD2-CG 3.66Å; L266-L296 HydrophobicContact CG-CD1 4.44Å; L266-L296 HydrophobicContact CG-CD2 3.77Å; L266-L296 HydrophobicContact CG-CG 4.19Å; L282-L296 HydrophobicContact CD1-CD1 3.96Å; V292-L296 HydrophobicContact CG1-CD1 4.08Å; V292-L296 PolarHBondContact O-N 3.14Å; F293-L296 PolarHBondContact O-N 2.88Å; Q294-L296 PolarHBondContact O-N 3.09Å; L296-G298 PolarHBondContact O-N 3.43Å; L296-K299 WeakPolarHBondContact O-CB 3.44Å; L296-K299 PolarHBondContact O-N 3.1Å; L296-K299 VanDerWaalsContact O-N 3.12Å; L296-M303 HydrophobicContact CB-CE 4.23Å; L296-M303 HydrophobicContact CD2-CE 3.92Å; L296-T305 HydrophobicContact CB-CG2 3.85Å; L296-T305 PolarHBondContact O-OG1 3.29Å; L296-I326 HydrophobicContact CD1-CG2 4.37Å; L296-L328 HydrophobicContact CB-CD2 4.43Å; L296-L328 HydrophobicContact CD1-CD1 4.12Å; L296-L328 HydrophobicContact CD1-CD2 3.82Å; L296-L328 HydrophobicContact CD2-CD1 4.38Å |
| 297 | D | 97.5 | Very high | 97.3 | Very high | 82 Ų | 82 | 59.5 Ų | 59.5 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 124.2 | -174.3 | -170.8 | 35.9 | 0 | 0 | 0 | 111.7 | F293 K299 T305 | F293-D297 HydrophobicContact CD1-CB 4.13Å; F293-D297 HydrophobicContact CE1-CB 3.65Å; F293-D297 HydrophobicContact CE2-CB 4.45Å; F293-D297 HydrophobicContact CZ-CB 3.83Å; F293-D297 WeakPolarHBondContact O-CB 3.35Å; F293-D297 PolarHBondContact O-N 2.97Å; D297-K299 PolarHBondContact O-N 2.95Å; D297-K299 VanDerWaalsContact O-N 3.16Å; D297-T305 HydrophobicContact CB-CG2 4.39Å |
| 298 | G | 96 | Very high | 97.3 | Very high | 70 Ų | 70 | 58.2 Ų | 58.2 | 72% | 0.722 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 12.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116 | L296 | L296-G298 PolarHBondContact O-N 3.43Š|
| 299 | K | 96.4 | Very high | 97.4 | Very high | 127 Ų | 127 | 57.9 Ų | 57.9 | 55% | 0.552 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -24.8 | -178.2 | -64.1 | -49 | -176.4 | -179.3 | 0 | 114.9 | M265 Q294 S295 L296 D297 | M265-K299 HydrophobicContact CG-CB 4.11Å; M265-K299 HydrophobicContact SD-CB 3.57Å; M265-K299 VanDerWaalsContact SD-CB 3.57Å; Q294-K299 WeakPolarHBondContact O-CE 3.3Å; S295-K299 WeakPolarHBondContact O-CG 3.45Å; L296-K299 WeakPolarHBondContact O-CB 3.44Å; L296-K299 PolarHBondContact O-N 3.1Å; L296-K299 VanDerWaalsContact O-N 3.12Å; D297-K299 PolarHBondContact O-N 2.95Å; D297-K299 VanDerWaalsContact O-N 3.16Å |
| 300 | H | 97.2 | Very high | 97.4 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 18% | 0.181 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -130.2 | 131.8 | 176.6 | -166.6 | -85.3 | 0 | 0 | 0 | 110.2 | I260 M265 H302 M303 W334 | I260-H300 HydrophobicContact CG2-CB 4.17Å; M265-H300 HydrophobicContact CE-CB 4.03Å; M265-H300 HydrophobicContact SD-CB 4.44Å; H300-H302 PolarHBondContact ND1-N 3.5Å; H300-H302 VanDerWaalsContact ND1-N 3.16Å; H300-H302 PolarHBondContact O-N 3.26Å; H300-H302 VanDerWaalsContact O-N 3.17Å; H300-M303 HydrophobicContact CB-CB 3.97Å; H300-M303 HydrophobicContact CB-CE 4.46Å; H300-M303 PolarHBondContact O-N 2.92Å; H300-W334 AromaticContact CE1-CE3 3.68Å; H300-W334 AromaticContact CE1-CZ3 3.46Å; H300-W334 VanDerWaalsContact CE1-CZ3 3.46Å; H300-W334 WeakPolarHBondContact CE1-CZ3 2.85Å; H300-W334 AromaticContact NE2-CZ3 3.81Å |
| 301 | P | 97 | Very high | 97.4 | Very high | 108 Ų | 108 | 55.6 Ų | 55.6 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18 | -174.7 | 26.3 | -35.5 | 0 | 0 | 0 | 114.3 | ||
| 302 | H | 97.5 | Very high | 97.5 | Very high | 62 Ų | 62 | 53.5 Ų | 53.5 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 20.6 | -179.2 | -61.8 | -65.3 | 0 | 0 | 0 | 114 | I260 H300 D331 W334 | I260-H302 WeakPolarHBondContact CD1-O 3.37Å; H300-H302 PolarHBondContact ND1-N 3.5Å; H300-H302 VanDerWaalsContact ND1-N 3.16Å; H300-H302 PolarHBondContact O-N 3.26Å; H300-H302 VanDerWaalsContact O-N 3.17Å; H302-D331 WeakPolarHBondContact CA-OD2 3.32Å; H302-D331 HydrophobicContact CB-CB 4.17Å; H302-D331 IonicContact ND1-OD2 3.31Å; H302-D331 PolarHBondContact ND1-OD2 3.08Å; H302-D331 PolarHBondContact O-N 3.24Å; H302-W334 HydrophobicContact CB-CB 4.23Å; H302-W334 HydrophobicContact CB-CD2 3.52Å; H302-W334 HydrophobicContact CB-CE3 4.03Å; H302-W334 HydrophobicContact CB-CG 3.57Å; H302-W334 HydrophobicContact CB-CZ2 4.44Å; H302-W334 AromaticContact CD2-CD2 3.81Å; H302-W334 AromaticContact CD2-CE2 3.15Å; H302-W334 AromaticContact CD2-CH2 3.61Å; H302-W334 AromaticContact CD2-CZ2 3.05Å; H302-W334 WeakPolarHBondContact CD2-CZ2 3.33Å; H302-W334 AromaticContact CD2-NE1 3.5Å; H302-W334 AromaticContact CE1-NE1 3.78Å; H302-W334 AromaticContact CG-CD1 3.74Å; H302-W334 AromaticContact CG-CD2 3.71Å; H302-W334 AromaticContact CG-CE2 3.35Å; H302-W334 AromaticContact CG-CG 3.99Å; H302-W334 AromaticContact CG-CZ2 3.79Å; H302-W334 AromaticContact CG-NE1 3.33Å; H302-W334 VanDerWaalsContact CG-NE1 3.33Å; H302-W334 AromaticContact ND1-CD1 3.97Å; H302-W334 AromaticContact ND1-NE1 3.54Å; H302-W334 AromaticContact NE2-CE2 3.71Å; H302-W334 AromaticContact NE2-CZ2 3.47Å; H302-W334 WeakPolarHBondContact NE2-CZ2 3.3Å; H302-W334 AromaticContact NE2-NE1 3.78Å |
| 303 | M | 97.5 | Very high | 97.5 | Very high | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.059 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130 | 176.5 | -169.5 | 178.7 | 67.5 | 0 | 0 | 108.9 | I260 L262 M265 L296 H300 L328 E329 M336 | I260-M303 HydrophobicContact CD1-CB 4.06Å; I260-M303 HydrophobicContact CG2-SD 4.11Å; L262-M303 HydrophobicContact CD2-SD 3.72Å; M265-M303 HydrophobicContact SD-CE 3.9Å; L296-M303 HydrophobicContact CB-CE 4.23Å; L296-M303 HydrophobicContact CD2-CE 3.92Å; H300-M303 HydrophobicContact CB-CB 3.97Å; H300-M303 HydrophobicContact CB-CE 4.46Å; H300-M303 PolarHBondContact O-N 2.92Å; M303-L328 HydrophobicContact SD-CD1 4.24Å; M303-E329 CarbonylContact C-O 3.54Å; M303-E329 WeakPolarHBondContact CA-O 3.06Å; M303-M336 HydrophobicContact CG-SD 4.01Å; M303-M336 HydrophobicContact SD-CG 4.34Å; M303-M336 HydrophobicContact SD-SD 3.83Å |
| 304 | K | 97.8 | Very high | 97.4 | Very high | 82 Ų | 82 | 63.6 Ų | 63.6 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 137 | 170.7 | -56.6 | 170.8 | -163.4 | 153.7 | 0 | 109.1 | L328 E329 D331 | K304-L328 WeakPolarHBondContact O-CA 3.23Å; K304-E329 HydrophobicContact CB-CB 4.31Å; K304-E329 PolarHBondContact N-O 3.45Å; K304-E329 IonicContact NZ-OE1 2.67Å; K304-E329 PolarHBondContact NZ-OE1 2.99Å; K304-E329 PolarHBondContact O-N 2.94Å; K304-D331 WeakPolarHBondContact CE-OD1 3.41Å; K304-D331 IonicContact NZ-OD1 2.61Å |
| 305 | T | 98.1 | Very high | 97.5 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 8% | 0.08 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 116.9 | 178.9 | -56.1 | 0 | 0 | 0 | 0 | 108.3 | F293 L296 D297 I326 L328 | F293-T305 HydrophobicContact CD2-CG2 3.65Å; F293-T305 HydrophobicContact CE2-CG2 3.54Å; F293-T305 HydrophobicContact CZ-CG2 4.37Å; L296-T305 HydrophobicContact CB-CG2 3.85Å; L296-T305 PolarHBondContact O-OG1 3.29Å; D297-T305 HydrophobicContact CB-CG2 4.39Å; T305-I326 HydrophobicContact CG2-CG2 3.97Å; T305-L328 HydrophobicContact CG2-CD2 3.71Å |
| 306 | H | 98.1 | Very high | 97.5 | Very high | 30 Ų | 30 | 60 Ų | 60 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.2 | 178.6 | -60.9 | -91.3 | 0 | 0 | 0 | 109.7 | L310 I311 I326 F327 | H306-L310 PolarHBondContact ND1-O 2.62Å; H306-I311 HydrophobicContact CB-CG1 3.64Å; H306-I326 CarbonylContact O-C 3.58Å; H306-I326 WeakPolarHBondContact O-CA 3.33Å; H306-F327 HydrophobicContact CB-CB 4.49Å; H306-F327 PolarHBondContact N-O 3.48Å; H306-F327 PolarHBondContact O-N 2.99Å |
| 307 | K | 98.4 | Very high | 97.6 | Very high | 57 Ų | 57 | 60 Ų | 60 | 25% | 0.248 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 143.9 | 152.5 | -64.4 | -171.6 | 176.4 | -177.6 | 0 | 107.5 | E290 F293 G309 L310 I311 P325 | E290-K307 IonicContact OE2-NZ 3.36Å; E290-K307 PolarHBondContact OE2-NZ 3.04Å; F293-K307 HydrophobicContact CD2-CD 4.49Å; F293-K307 HydrophobicContact CD2-CG 3.64Å; F293-K307 HydrophobicContact CE2-CD 4.49Å; F293-K307 HydrophobicContact CE2-CG 3.54Å; F293-K307 HydrophobicContact CG-CG 4.27Å; F293-K307 HydrophobicContact CZ-CG 4.09Å; K307-G309 VanDerWaalsContact C-N 3.27Å; K307-G309 PolarHBondContact O-N 3.06Å; K307-G309 VanDerWaalsContact O-N 3.1Å; K307-L310 HydrophobicContact CB-CD1 4.22Å; K307-L310 HydrophobicContact CB-CG 4.34Å; K307-L310 CarbonylContact O-C 3.58Å; K307-L310 WeakPolarHBondContact O-CA 3.38Å; K307-L310 WeakPolarHBondContact O-CB 3.44Å; K307-L310 PolarHBondContact O-N 3.18Å; K307-I311 PolarHBondContact O-N 3.49Å; K307-P325 CarbonylContact C-O 3.52Å; K307-P325 WeakPolarHBondContact CA-O 3.27Å |
| 308 | K | 98.1 | Very high | 97.6 | Very high | 53 Ų | 53 | 57.4 Ų | 57.4 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -44.2 | -49.2 | -177.4 | -178.7 | 176.7 | -178.2 | 165.1 | 0 | 113.6 | L310 I311 K318 N320 V323 P325 | K308-L310 PolarHBondContact O-N 2.79Å; K308-I311 WeakPolarHBondContact O-CG1 3.18Å; K308-I311 PolarHBondContact O-N 3.02Å; K308-K318 WeakPolarHBondContact CE-O 3.36Å; K308-K318 HydrophobicContact CG-CB 4.45Å; K308-K318 WeakPolarHBondContact O-CB 3.17Å; K308-K318 WeakPolarHBondContact O-CD 3.28Å; K308-N320 WeakPolarHBondContact CE-O 3.27Å; K308-N320 PolarHBondContact NZ-O 3.16Å; K308-V323 WeakPolarHBondContact CD-O 2.99Å; K308-V323 VanDerWaalsContact CE-O 3.32Å; K308-V323 WeakPolarHBondContact CE-O 3.49Å; K308-V323 HydrophobicContact CG-CG1 4.19Å; K308-V323 PolarHBondContact NZ-O 3.47Å; K308-P325 PolarHBondContact N-O 3.05Å |
| 309 | G | 97.7 | Very high | 97.7 | Very high | 56 Ų | 56 | 59.3 Ų | 59.3 | 58% | 0.577 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -66.1 | -19.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K307 K318 | K307-G309 VanDerWaalsContact C-N 3.27Å; K307-G309 PolarHBondContact O-N 3.06Å; K307-G309 VanDerWaalsContact O-N 3.1Å; G309-K318 PolarHBondContact O-NZ 3.28Å; G309-K318 VanDerWaalsContact O-NZ 3.11Å |
| 310 | L | 98.1 | Very high | 97.7 | Very high | 121 Ų | 121 | 54.7 Ų | 54.7 | 63% | 0.634 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -103.2 | 6.7 | -179 | -57.4 | 179.2 | 0 | 0 | 0 | 113.1 | H306 K307 K308 | H306-L310 PolarHBondContact ND1-O 2.62Å; K307-L310 HydrophobicContact CB-CD1 4.22Å; K307-L310 HydrophobicContact CB-CG 4.34Å; K307-L310 CarbonylContact O-C 3.58Å; K307-L310 WeakPolarHBondContact O-CA 3.38Å; K307-L310 WeakPolarHBondContact O-CB 3.44Å; K307-L310 PolarHBondContact O-N 3.18Å; K308-L310 PolarHBondContact O-N 2.79Å |
| 311 | I | 98.2 | Very high | 97.8 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -63.4 | 137.2 | 163.8 | -62.6 | 170.4 | 0 | 0 | 0 | 107.3 | H306 K307 K308 Y315 Y317 K318 V323 F327 | H306-I311 HydrophobicContact CB-CG1 3.64Å; K307-I311 PolarHBondContact O-N 3.49Å; K308-I311 WeakPolarHBondContact O-CG1 3.18Å; K308-I311 PolarHBondContact O-N 3.02Å; I311-Y315 HydrophobicContact CG2-CD2 3.91Å; I311-Y317 HydrophobicContact CD1-CD1 4.14Å; I311-Y317 HydrophobicContact CD1-CE1 4.49Å; I311-Y317 HydrophobicContact CG2-CD1 4.34Å; I311-K318 HydrophobicContact CB-CB 3.94Å; I311-K318 HydrophobicContact CB-CD 4.21Å; I311-K318 HydrophobicContact CD1-CB 4.08Å; I311-K318 HydrophobicContact CG2-CB 4.29Å; I311-K318 WeakPolarHBondContact O-CD 3.26Å; I311-K318 PolarHBondContact O-NZ 2.84Å; I311-V323 HydrophobicContact CD1-CG1 3.77Å; I311-F327 HydrophobicContact CD1-CB 3.68Å; I311-F327 HydrophobicContact CD1-CD1 4.15Å; I311-F327 HydrophobicContact CD1-CG 4.04Å; I311-F327 HydrophobicContact CG1-CB 4.2Å; I311-F327 HydrophobicContact CG1-CD1 4.3Å |
| 312 | P | 97.6 | Very high | 97.8 | Very high | 29 Ų | 29 | 53 Ų | 53 | 19% | 0.188 | 28% | 0.275 | C | S | . | . | trans | -54.9 | 140 | -180 | -24 | 33.2 | 0 | 0 | 0 | 112.7 | E314 Y315 | P312-E314 VanDerWaalsContact C-N 3.31Å; P312-E314 HydrophobicContact CB-CG 4.08Å; P312-E314 WeakPolarHBondContact CB-OE1 3.32Å; P312-E314 VanDerWaalsContact CB-OE2 3.22Å; P312-E314 WeakPolarHBondContact CB-OE2 3.45Å; P312-E314 PolarHBondContact O-N 2.84Å; P312-Y315 HydrophobicContact CB-CD1 4.24Å; P312-Y315 HydrophobicContact CB-CD2 4.33Å; P312-Y315 HydrophobicContact CB-CE1 4.32Å; P312-Y315 HydrophobicContact CB-CE2 4.43Å; P312-Y315 HydrophobicContact CB-CG 4.24Å; P312-Y315 HydrophobicContact CG-CD2 4.18Å; P312-Y315 HydrophobicContact CG-CE1 4.38Å; P312-Y315 HydrophobicContact CG-CE2 3.9Å; P312-Y315 PolarHBondContact O-N 2.79Å | ||
| 313 | D | 97.6 | Very high | 97.8 | Very high | 106 Ų | 106 | 50.2 Ų | 50.2 | 57% | 0.567 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -69 | -32.7 | -176.7 | -76.1 | -39.5 | 0 | 0 | 0 | 111.7 | Y315 H316 K318 | D313-Y315 PolarHBondContact O-N 3.13Å; D313-Y315 VanDerWaalsContact O-N 3.13Å; D313-H316 PolarHBondContact O-N 3.07Å; D313-K318 WeakPolarHBondContact OD1-CE 3.46Å; D313-K318 IonicContact OD1-NZ 3.47Å; D313-K318 PolarHBondContact OD1-NZ 2.93Å; D313-K318 IonicContact OD2-NZ 3.53Å |
| 314 | E | 96.1 | Very high | 97.9 | Very high | 130 Ų | 130 | 49.9 Ų | 49.9 | 61% | 0.607 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -63.1 | -14.8 | 178.1 | 62.9 | -93.3 | -142.7 | 0 | 0 | 113.8 | P312 H316 | P312-E314 VanDerWaalsContact C-N 3.31Å; P312-E314 HydrophobicContact CB-CG 4.08Å; P312-E314 WeakPolarHBondContact CB-OE1 3.32Å; P312-E314 VanDerWaalsContact CB-OE2 3.22Å; P312-E314 WeakPolarHBondContact CB-OE2 3.45Å; P312-E314 PolarHBondContact O-N 2.84Å; E314-H316 VanDerWaalsContact C-N 3.32Å |
| 315 | Y | 97.6 | Very high | 97.9 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -79.3 | -16.3 | 175.6 | -69.8 | -0.1 | 0 | 0 | 0 | 112.6 | Y75 I311 P312 D313 Y317 E329 N357 | Y75-Y315 AromaticContact CD1-CD2 3.5Å; Y75-Y315 HydrophobicContact CD1-CD2 3.5Å; Y75-Y315 VanDerWaalsContact CD1-CD2 3.5Å; Y75-Y315 HydrophobicContact CD1-CE2 4.17Å; Y75-Y315 AromaticContact CD1-CG 3.71Å; Y75-Y315 HydrophobicContact CD1-CG 3.71Å; Y75-Y315 AromaticContact CE1-CD2 3.42Å; Y75-Y315 HydrophobicContact CE1-CD2 3.42Å; Y75-Y315 VanDerWaalsContact CE1-CD2 3.42Å; Y75-Y315 AromaticContact CE1-CE2 3.78Å; Y75-Y315 HydrophobicContact CE1-CE2 3.78Å; Y75-Y315 HydrophobicContact CE1-CG 4.13Å; Y75-Y315 HydrophobicContact CE2-CD2 4.47Å; Y75-Y315 HydrophobicContact CE2-CE2 4.21Å; Y75-Y315 HydrophobicContact CG-CD1 4.37Å; Y75-Y315 HydrophobicContact CG-CD2 4.06Å; Y75-Y315 AromaticContact CG-CG 3.97Å; Y75-Y315 HydrophobicContact CG-CG 3.97Å; Y75-Y315 AromaticContact CZ-CD2 3.93Å; Y75-Y315 AromaticContact CZ-CE2 3.78Å; I311-Y315 HydrophobicContact CG2-CD2 3.91Å; P312-Y315 HydrophobicContact CB-CD1 4.24Å; P312-Y315 HydrophobicContact CB-CD2 4.33Å; P312-Y315 HydrophobicContact CB-CE1 4.32Å; P312-Y315 HydrophobicContact CB-CE2 4.43Å; P312-Y315 HydrophobicContact CB-CG 4.24Å; P312-Y315 HydrophobicContact CG-CD2 4.18Å; P312-Y315 HydrophobicContact CG-CE1 4.38Å; P312-Y315 HydrophobicContact CG-CE2 3.9Å; P312-Y315 PolarHBondContact O-N 2.79Å; D313-Y315 PolarHBondContact O-N 3.13Å; D313-Y315 VanDerWaalsContact O-N 3.13Å; Y315-Y317 PolarHBondContact O-N 3.17Å; Y315-Y317 VanDerWaalsContact O-N 3.11Å; Y315-E329 WeakPolarHBondContact CE2-OE2 3.41Å; Y315-E329 PolarHBondContact OH-OE2 3.32Å; Y315-N357 WeakPolarHBondContact CE1-ND2 3.14Å; Y315-N357 PolarHBondContact OH-ND2 3.02Å |
| 316 | H | 98 | Very high | 97.9 | Very high | 67 Ų | 67 | 47 Ų | 47 | 31% | 0.31 | 25% | 0.251 | S | S | . | . | trans | 48.3 | 40.4 | -176.5 | -59.5 | -62.4 | 0 | 0 | 0 | 113.5 | Y91 E93 D313 E314 | Y91-H316 HydrophobicContact CD1-CB 4.18Å; Y91-H316 HydrophobicContact CD2-CB 3.36Å; Y91-H316 AromaticContact CD2-CD2 3.7Å; Y91-H316 AromaticContact CD2-CG 3.36Å; Y91-H316 AromaticContact CD2-ND1 3.92Å; Y91-H316 HydrophobicContact CE2-CB 3.94Å; Y91-H316 AromaticContact CE2-CD2 3.28Å; Y91-H316 WeakPolarHBondContact CE2-CD2 3.19Å; Y91-H316 AromaticContact CE2-CE1 3.97Å; Y91-H316 AromaticContact CE2-CG 3.41Å; Y91-H316 VanDerWaalsContact CE2-CG 3.41Å; Y91-H316 AromaticContact CE2-ND1 3.84Å; Y91-H316 AromaticContact CE2-NE2 3.66Å; Y91-H316 HydrophobicContact CG-CB 3.5Å; Y91-H316 AromaticContact CG-CG 3.95Å; Y91-H316 AromaticContact CZ-CD2 3.49Å; Y91-H316 VanDerWaalsContact CZ-CD2 3.49Å; Y91-H316 AromaticContact CZ-NE2 3.95Å; E93-H316 VanDerWaalsContact CB-O 3.28Å; E93-H316 WeakPolarHBondContact CB-O 3.21Å; E93-H316 WeakPolarHBondContact CG-O 3.27Å; E93-H316 PolarHBondContact N-O 2.87Å; D313-H316 PolarHBondContact O-N 3.07Å; E314-H316 VanDerWaalsContact C-N 3.32Å | ||
| 317 | Y | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | trans | -116.3 | -40.4 | -168.2 | -175 | -115.7 | 0 | 0 | 0 | 113.3 | Y75 V76 E92 E93 V98 N281 I311 Y315 N319 V323 F327 | Y75-Y317 HydrophobicContact CD1-CG 4.22Å; Y75-Y317 HydrophobicContact CE1-CD1 4.38Å; Y75-Y317 HydrophobicContact CE1-CG 4.48Å; V76-Y317 HydrophobicContact CG1-CE2 4.2Å; V76-Y317 HydrophobicContact CG2-CE2 4.44Å; E92-Y317 HydrophobicContact CB-CD2 4.1Å; E93-Y317 PolarHBondContact OE2-N 3.27Å; V98-Y317 HydrophobicContact CB-CE2 3.83Å; V98-Y317 HydrophobicContact CG1-CE2 4.48Å; V98-Y317 VanDerWaalsContact O-CE2 3.27Å; V98-Y317 WeakPolarHBondContact O-CE2 3.05Å; V98-Y317 PolarHBondContact O-OH 2.99Å; N281-Y317 PolarHBondContact ND2-OH 2.85Å; I311-Y317 HydrophobicContact CD1-CD1 4.14Å; I311-Y317 HydrophobicContact CD1-CE1 4.49Å; I311-Y317 HydrophobicContact CG2-CD1 4.34Å; Y315-Y317 PolarHBondContact O-N 3.17Å; Y315-Y317 VanDerWaalsContact O-N 3.11Å; Y317-N319 PolarHBondContact O-N 3.26Å; Y317-V323 HydrophobicContact CD1-CG1 4.23Å; Y317-V323 HydrophobicContact CD1-CG2 4.07Å; Y317-V323 HydrophobicContact CD2-CG2 4.42Å; Y317-V323 HydrophobicContact CE1-CG1 3.89Å; Y317-V323 HydrophobicContact CE1-CG2 3.78Å; Y317-V323 HydrophobicContact CE2-CG2 4.12Å; Y317-V323 HydrophobicContact CG-CG2 4.38Å; Y317-V323 VanDerWaalsContact O-CG2 3.23Å; Y317-V323 WeakPolarHBondContact O-CG2 3.43Å; Y317-F327 AromaticContact CE1-CD2 3.89Å; Y317-F327 HydrophobicContact CE1-CD2 3.89Å; Y317-F327 HydrophobicContact CE1-CE1 4.48Å; Y317-F327 AromaticContact CE1-CE2 3.73Å; Y317-F327 HydrophobicContact CE1-CE2 3.73Å; Y317-F327 HydrophobicContact CE1-CG 4.33Å; Y317-F327 HydrophobicContact CE1-CZ 4.05Å | ||
| 318 | K | 97.7 | Very high | 97.9 | Very high | 27 Ų | 27 | 42.9 Ų | 42.9 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -74.7 | -19.2 | -164.2 | 69.9 | -177.4 | 171.8 | -163 | 0 | 115.4 | E93 K308 G309 I311 D313 N320 | E93-K318 PolarHBondContact OE2-N 2.88Å; K308-K318 WeakPolarHBondContact CE-O 3.36Å; K308-K318 HydrophobicContact CG-CB 4.45Å; K308-K318 WeakPolarHBondContact O-CB 3.17Å; K308-K318 WeakPolarHBondContact O-CD 3.28Å; G309-K318 PolarHBondContact O-NZ 3.28Å; G309-K318 VanDerWaalsContact O-NZ 3.11Å; I311-K318 HydrophobicContact CB-CB 3.94Å; I311-K318 HydrophobicContact CB-CD 4.21Å; I311-K318 HydrophobicContact CD1-CB 4.08Å; I311-K318 HydrophobicContact CG2-CB 4.29Å; I311-K318 WeakPolarHBondContact O-CD 3.26Å; I311-K318 PolarHBondContact O-NZ 2.84Å; D313-K318 WeakPolarHBondContact OD1-CE 3.46Å; D313-K318 IonicContact OD1-NZ 3.47Å; D313-K318 PolarHBondContact OD1-NZ 2.93Å; D313-K318 IonicContact OD2-NZ 3.53Å; K318-N320 PolarHBondContact O-N 2.92Å |
| 319 | N | 97.9 | Very high | 97.8 | Very high | 109 Ų | 109 | 40.5 Ų | 40.5 | 58% | 0.583 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -86.1 | 46.6 | -171.9 | -56.2 | -58.5 | 0 | 0 | 0 | 112.8 | E93 Y317 | E93-N319 HydrophobicContact CB-CB 4.34Å; E93-N319 HydrophobicContact CG-CB 4.33Å; E93-N319 PolarHBondContact OE1-ND2 2.85Å; E93-N319 WeakPolarHBondContact OE2-CB 3.26Å; E93-N319 PolarHBondContact OE2-N 2.79Å; E93-N319 PolarHBondContact OE2-ND2 3.32Å; Y317-N319 PolarHBondContact O-N 3.26Å |
| 320 | N | 98.1 | Very high | 97.8 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 16% | 0.16 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -143.3 | 141 | 175.4 | -165.7 | -70.9 | 0 | 0 | 0 | 111.5 | E93 V98 K308 K318 R322 V323 | E93-N320 HydrophobicContact CB-CB 4.25Å; E93-N320 PolarHBondContact O-ND2 3.15Å; V98-N320 HydrophobicContact CG1-CB 4.22Å; K308-N320 WeakPolarHBondContact CE-O 3.27Å; K308-N320 PolarHBondContact NZ-O 3.16Å; K318-N320 PolarHBondContact O-N 2.92Å; N320-R322 PolarHBondContact O-N 3.38Å; N320-R322 VanDerWaalsContact O-N 3.15Å; N320-R322 WeakPolarHBondContact OD1-CB 2.96Å; N320-R322 WeakPolarHBondContact OD1-CD 3.26Å; N320-R322 WeakPolarHBondContact OD1-CG 3.48Å; N320-R322 PolarHBondContact OD1-N 3.03Å; N320-V323 PolarHBondContact O-N 3.4Å |
| 321 | D | 97.9 | Very high | 97.7 | Very high | 90 Ų | 90 | 34.3 Ų | 34.3 | 48% | 0.481 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.4 | -178.8 | -71 | -19.5 | 0 | 0 | 0 | 113.8 | P105 N106 V323 M324 | P105-D321 WeakPolarHBondContact CD-O 3.46Å; P105-D321 HydrophobicContact CG-CB 4.08Å; P105-D321 WeakPolarHBondContact CG-O 3.38Å; N106-D321 PolarHBondContact ND2-OD2 2.9Å; D321-V323 VanDerWaalsContact C-N 3.28Å; D321-M324 WeakPolarHBondContact O-CE 3.32Å |
| 322 | R | 97.9 | Very high | 97.7 | Very high | 23 Ų | 23 | 36 Ų | 36 | 9% | 0.087 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -12.6 | 176.5 | -63.3 | 161.2 | -179.8 | 176.1 | 6 | 113.3 | G96 V98 F102 D104 A123 F124 N320 M324 | G96-R322 WeakPolarHBondContact O-CD 3.33Å; G96-R322 PolarHBondContact O-NH1 3.11Å; V98-R322 HydrophobicContact CG1-CB 4.19Å; V98-R322 HydrophobicContact CG2-CB 3.59Å; F102-R322 HydrophobicContact CD2-CB 3.99Å; F102-R322 HydrophobicContact CD2-CG 3.89Å; F102-R322 HydrophobicContact CE2-CB 4.49Å; F102-R322 VanDerWaalsContact CE2-CD 3.43Å; F102-R322 HydrophobicContact CE2-CG 4.01Å; D104-R322 HydrophobicContact CB-CG 4.17Å; D104-R322 IonicContact OD2-CZ 3.46Å; D104-R322 IonicContact OD2-NE 2.92Å; D104-R322 PolarHBondContact OD2-NE 3.22Å; D104-R322 IonicContact OD2-NH2 3.68Å; D104-R322 PolarHBondContact OD2-NH2 2.94Å; A123-R322 PolarHBondContact O-NH2 2.9Å; F124-R322 PolarHBondContact O-NH1 3.37Å; N320-R322 PolarHBondContact O-N 3.38Å; N320-R322 VanDerWaalsContact O-N 3.15Å; N320-R322 WeakPolarHBondContact OD1-CB 2.96Å; N320-R322 WeakPolarHBondContact OD1-CD 3.26Å; N320-R322 WeakPolarHBondContact OD1-CG 3.48Å; N320-R322 PolarHBondContact OD1-N 3.03Å; R322-M324 VanDerWaalsContact C-CE 3.49Å; R322-M324 WeakPolarHBondContact O-CE 3.34Å |
| 323 | V | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -84.2 | 122.6 | 167 | -178.9 | 0 | 0 | 0 | 0 | 109 | V98 N281 K308 I311 Y317 N320 D321 | V98-V323 HydrophobicContact CB-CG2 4.27Å; V98-V323 HydrophobicContact CG1-CG2 4.07Å; N281-V323 WeakPolarHBondContact OD1-CA 3.42Å; K308-V323 WeakPolarHBondContact CD-O 2.99Å; K308-V323 VanDerWaalsContact CE-O 3.32Å; K308-V323 WeakPolarHBondContact CE-O 3.49Å; K308-V323 HydrophobicContact CG-CG1 4.19Å; K308-V323 PolarHBondContact NZ-O 3.47Å; I311-V323 HydrophobicContact CD1-CG1 3.77Å; Y317-V323 HydrophobicContact CD1-CG1 4.23Å; Y317-V323 HydrophobicContact CD1-CG2 4.07Å; Y317-V323 HydrophobicContact CD2-CG2 4.42Å; Y317-V323 HydrophobicContact CE1-CG1 3.89Å; Y317-V323 HydrophobicContact CE1-CG2 3.78Å; Y317-V323 HydrophobicContact CE2-CG2 4.12Å; Y317-V323 HydrophobicContact CG-CG2 4.38Å; Y317-V323 VanDerWaalsContact O-CG2 3.23Å; Y317-V323 WeakPolarHBondContact O-CG2 3.43Å; N320-V323 PolarHBondContact O-N 3.4Å; D321-V323 VanDerWaalsContact C-N 3.28Å |
| 324 | M | 97.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | trans | -80 | 164.9 | -171.8 | -62.8 | -62.9 | 111.8 | 0 | 0 | 112 | Y103 F274 N281 L282 L283 D321 R322 I326 | Y103-M324 HydrophobicContact CD1-CE 4.27Å; Y103-M324 HydrophobicContact CD1-SD 4.32Å; Y103-M324 WeakPolarHBondContact O-CE 3.39Å; F274-M324 HydrophobicContact CD2-CG 4.04Å; F274-M324 HydrophobicContact CD2-SD 4.34Å; F274-M324 HydrophobicContact CE2-SD 4.3Å; N281-M324 HydrophobicContact CB-CB 3.97Å; N281-M324 HydrophobicContact CB-CG 3.71Å; N281-M324 PolarHBondContact OD1-N 3.1Å; L282-M324 VanDerWaalsContact O-CB 3.24Å; L282-M324 WeakPolarHBondContact O-CB 3.39Å; L283-M324 HydrophobicContact CB-CB 4.47Å; L283-M324 HydrophobicContact CB-CG 4.2Å; L283-M324 HydrophobicContact CB-SD 3.77Å; L283-M324 HydrophobicContact CD1-SD 4.04Å; L283-M324 HydrophobicContact CD2-SD 4.06Å; L283-M324 HydrophobicContact CG-SD 4.17Å; D321-M324 WeakPolarHBondContact O-CE 3.32Å; R322-M324 VanDerWaalsContact C-CE 3.49Å; R322-M324 WeakPolarHBondContact O-CE 3.34Å; M324-I326 PolarHBondContact O-N 3.22Å; M324-I326 VanDerWaalsContact O-N 3.16Å | ||
| 325 | P | 98.2 | Very high | 97.5 | Very high | 35 Ų | 35 | 29.2 Ų | 29.2 | 23% | 0.227 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -56.6 | -31.2 | -175.9 | -28.8 | 37 | 0 | 0 | 0 | 115.1 | L283 E289 K307 K308 | L283-P325 HydrophobicContact CD1-CG 4.13Å; E289-P325 HydrophobicContact CG-CB 4.39Å; K307-P325 CarbonylContact C-O 3.52Å; K307-P325 WeakPolarHBondContact CA-O 3.27Å; K308-P325 PolarHBondContact N-O 3.05Å |
| 326 | I | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131 | 176.1 | -61.1 | 173.8 | 0 | 0 | 0 | 108.4 | L282 P284 E289 V292 F293 L296 T305 H306 M324 L328 | L282-I326 HydrophobicContact CB-CB 4.17Å; L282-I326 HydrophobicContact CB-CG2 4.38Å; L282-I326 HydrophobicContact CD2-CB 4.33Å; L282-I326 HydrophobicContact CD2-CD1 4.23Å; L282-I326 PolarHBondContact N-O 3.12Å; L282-I326 PolarHBondContact O-N 3.35Å; P284-I326 HydrophobicContact CG-CD1 3.79Å; P284-I326 HydrophobicContact CG-CG1 4.34Å; E289-I326 HydrophobicContact CG-CD1 4.38Å; E289-I326 HydrophobicContact CG-CG1 4.49Å; V292-I326 HydrophobicContact CB-CD1 4.16Å; V292-I326 HydrophobicContact CG1-CD1 3.9Å; F293-I326 HydrophobicContact CB-CD1 3.79Å; F293-I326 HydrophobicContact CD2-CD1 4.42Å; F293-I326 HydrophobicContact CD2-CG1 4.33Å; L296-I326 HydrophobicContact CD1-CG2 4.37Å; T305-I326 HydrophobicContact CG2-CG2 3.97Å; H306-I326 CarbonylContact O-C 3.58Å; H306-I326 WeakPolarHBondContact O-CA 3.33Å; M324-I326 PolarHBondContact O-N 3.22Å; M324-I326 VanDerWaalsContact O-N 3.16Å; I326-L328 HydrophobicContact CG2-CD2 3.97Å |
| 327 | F | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 132.3 | 175.9 | 178.5 | -106.5 | 0 | 0 | 0 | 109.8 | Y75 V76 L280 H306 I311 Y317 E329 | Y75-F327 AromaticContact CE1-CE1 4Å; Y75-F327 HydrophobicContact CE1-CE1 4Å; Y75-F327 AromaticContact CE1-CZ 3.98Å; Y75-F327 HydrophobicContact CE1-CZ 3.98Å; Y75-F327 WeakPolarHBondContact OH-CE1 3.36Å; Y75-F327 VanDerWaalsContact OH-CZ 3.26Å; Y75-F327 WeakPolarHBondContact OH-CZ 3.4Å; V76-F327 HydrophobicContact CG1-CZ 4.24Å; L280-F327 CarbonylContact O-C 3.42Å; L280-F327 WeakPolarHBondContact O-CA 3.47Å; L280-F327 WeakPolarHBondContact O-CD2 3.46Å; H306-F327 HydrophobicContact CB-CB 4.49Å; H306-F327 PolarHBondContact N-O 3.48Å; H306-F327 PolarHBondContact O-N 2.99Å; I311-F327 HydrophobicContact CD1-CB 3.68Å; I311-F327 HydrophobicContact CD1-CD1 4.15Å; I311-F327 HydrophobicContact CD1-CG 4.04Å; I311-F327 HydrophobicContact CG1-CB 4.2Å; I311-F327 HydrophobicContact CG1-CD1 4.3Å; Y317-F327 AromaticContact CE1-CD2 3.89Å; Y317-F327 HydrophobicContact CE1-CD2 3.89Å; Y317-F327 HydrophobicContact CE1-CE1 4.48Å; Y317-F327 AromaticContact CE1-CE2 3.73Å; Y317-F327 HydrophobicContact CE1-CE2 3.73Å; Y317-F327 HydrophobicContact CE1-CG 4.33Å; Y317-F327 HydrophobicContact CE1-CZ 4.05Å; F327-E329 HydrophobicContact CE1-CB 4.16Å |
| 328 | L | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134 | 177.8 | -46.6 | 177.6 | 0 | 0 | 0 | 109.6 | L262 G279 L280 L296 M303 K304 T305 I326 M336 | L262-L328 HydrophobicContact CD1-CD1 4.13Å; L262-L328 HydrophobicContact CD2-CD1 4.07Å; G279-L328 CarbonylContact C-O 3.57Å; G279-L328 WeakPolarHBondContact CA-O 3.47Å; L280-L328 HydrophobicContact CB-CB 4.2Å; L280-L328 HydrophobicContact CB-CD1 4.43Å; L280-L328 PolarHBondContact N-O 2.99Å; L280-L328 PolarHBondContact O-N 2.73Å; L296-L328 HydrophobicContact CB-CD2 4.43Å; L296-L328 HydrophobicContact CD1-CD1 4.12Å; L296-L328 HydrophobicContact CD1-CD2 3.82Å; L296-L328 HydrophobicContact CD2-CD1 4.38Å; M303-L328 HydrophobicContact SD-CD1 4.24Å; K304-L328 WeakPolarHBondContact O-CA 3.23Å; T305-L328 HydrophobicContact CG2-CD2 3.71Å; I326-L328 HydrophobicContact CG2-CD2 3.97Å; L328-M336 HydrophobicContact CB-CE 4.04Å; L328-M336 HydrophobicContact CB-SD 3.56Å; L328-M336 VanDerWaalsContact CB-SD 3.56Å; L328-M336 HydrophobicContact CD1-SD 4.09Å; L328-M336 HydrophobicContact CG-SD 4.47Å |
| 329 | E | 96.7 | Very high | 94.6 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.3 | 175.2 | -178.6 | -169.9 | 134.1 | 0 | 0 | 108.1 | Y75 M303 K304 Y315 F327 | Y75-E329 PolarHBondContact OH-OE2 3.01Å; M303-E329 CarbonylContact C-O 3.54Å; M303-E329 WeakPolarHBondContact CA-O 3.06Å; K304-E329 HydrophobicContact CB-CB 4.31Å; K304-E329 PolarHBondContact N-O 3.45Å; K304-E329 IonicContact NZ-OE1 2.67Å; K304-E329 PolarHBondContact NZ-OE1 2.99Å; K304-E329 PolarHBondContact O-N 2.94Å; Y315-E329 WeakPolarHBondContact CE2-OE2 3.41Å; Y315-E329 PolarHBondContact OH-OE2 3.32Å; F327-E329 HydrophobicContact CE1-CB 4.16Å |
| 330 | A | 97.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 142 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I260 T278 W334 M336 | I260-A330 HydrophobicContact CD1-CB 4.36Å; T278-A330 PolarHBondContact O-N 2.81Å; A330-W334 HydrophobicContact CB-CB 4.3Å; A330-W334 WeakPolarHBondContact CB-O 3.45Å; A330-M336 HydrophobicContact CB-CE 4.1Å; A330-M336 HydrophobicContact CB-CG 4.47Å |
| 331 | D | 97.6 | Very high | 90.1 | Very high | 45 Ų | 45 | 29 Ų | 29 | 24% | 0.241 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 157.4 | 168.8 | -77.5 | -17.4 | 0 | 0 | 0 | 111 | H302 K304 H333 W334 Y356 | H302-D331 WeakPolarHBondContact CA-OD2 3.32Å; H302-D331 HydrophobicContact CB-CB 4.17Å; H302-D331 IonicContact ND1-OD2 3.31Å; H302-D331 PolarHBondContact ND1-OD2 3.08Å; H302-D331 PolarHBondContact O-N 3.24Å; K304-D331 WeakPolarHBondContact CE-OD1 3.41Å; K304-D331 IonicContact NZ-OD1 2.61Å; D331-H333 PolarHBondContact O-N 3.37Å; D331-W334 WeakPolarHBondContact O-CB 3.48Å; D331-W334 PolarHBondContact O-N 2.68Å; D331-Y356 VanDerWaalsContact O-CE1 3.28Å; D331-Y356 WeakPolarHBondContact O-CE1 3.42Å |
| 332 | L | 97.5 | Very high | 87.4 | Confident | 39 Ų | 39 | 28.6 Ų | 28.6 | 20% | 0.204 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 135.1 | 174.7 | -170.5 | 67.9 | 0 | 0 | 0 | 111.1 | A252 W334 Y356 L360 D362 | A252-L332 HydrophobicContact CB-CD1 3.41Å; A252-L332 VanDerWaalsContact CB-CD1 3.41Å; A252-L332 HydrophobicContact CB-CG 4.33Å; L332-W334 PolarHBondContact O-N 3.49Å; L332-Y356 HydrophobicContact CD1-CD2 3.76Å; L332-Y356 HydrophobicContact CD1-CE2 4.15Å; L332-Y356 HydrophobicContact CD1-CG 3.96Å; L332-L360 HydrophobicContact CB-CD1 4.03Å; L332-L360 HydrophobicContact CD1-CD1 4Å; L332-L360 HydrophobicContact CD2-CD1 4.35Å; L332-L360 HydrophobicContact CG-CD1 4.34Å; L332-D362 HydrophobicContact CD1-CB 4.08Å |
| 333 | H | 96.3 | Very high | 84.5 | Confident | 66 Ų | 66 | 34.8 Ų | 34.8 | 31% | 0.306 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 2.8 | -175.7 | -43.6 | -64.2 | 0 | 0 | 0 | 116.1 | S253 N258 D331 | S253-H333 WeakPolarHBondContact O-CA 3.25Å; S253-H333 WeakPolarHBondContact O-CB 3.4Å; S253-H333 PolarHBondContact O-ND1 3.02Å; S253-H333 PolarHBondContact OG-ND1 2.99Å; N258-H333 WeakPolarHBondContact CB-O 3.45Å; N258-H333 PolarHBondContact ND2-O 3.16Å; D331-H333 PolarHBondContact O-N 3.37Å |
| 334 | W | 96.6 | Very high | 81.9 | Confident | 49 Ų | 49 | 39.7 Ų | 39.7 | 19% | 0.186 | 23% | 0.225 | C | C | . | . | trans | -112.4 | 154.9 | 173.7 | -68.8 | 79.5 | 0 | 0 | 0 | 111.3 | N258 I260 H300 H302 A330 D331 L332 Y356 | N258-W334 VanDerWaalsContact C-CE3 3.44Å; N258-W334 HydrophobicContact CB-CD2 3.71Å; N258-W334 HydrophobicContact CB-CE3 3.79Å; N258-W334 HydrophobicContact CB-CG 4.12Å; N258-W334 HydrophobicContact CB-CH2 4.48Å; N258-W334 HydrophobicContact CB-CZ2 4.42Å; N258-W334 HydrophobicContact CB-CZ3 4.18Å; I260-W334 HydrophobicContact CD1-CB 4.09Å; I260-W334 HydrophobicContact CD1-CE3 4.24Å; I260-W334 HydrophobicContact CG1-CE3 3.78Å; I260-W334 HydrophobicContact CG1-CZ3 4.43Å; H300-W334 AromaticContact CE1-CE3 3.68Å; H300-W334 AromaticContact CE1-CZ3 3.46Å; H300-W334 VanDerWaalsContact CE1-CZ3 3.46Å; H300-W334 WeakPolarHBondContact CE1-CZ3 2.85Å; H300-W334 AromaticContact NE2-CZ3 3.81Å; H302-W334 HydrophobicContact CB-CB 4.23Å; H302-W334 HydrophobicContact CB-CD2 3.52Å; H302-W334 HydrophobicContact CB-CE3 4.03Å; H302-W334 HydrophobicContact CB-CG 3.57Å; H302-W334 HydrophobicContact CB-CZ2 4.44Å; H302-W334 AromaticContact CD2-CD2 3.81Å; H302-W334 AromaticContact CD2-CE2 3.15Å; H302-W334 AromaticContact CD2-CH2 3.61Å; H302-W334 AromaticContact CD2-CZ2 3.05Å; H302-W334 WeakPolarHBondContact CD2-CZ2 3.33Å; H302-W334 AromaticContact CD2-NE1 3.5Å; H302-W334 AromaticContact CE1-NE1 3.78Å; H302-W334 AromaticContact CG-CD1 3.74Å; H302-W334 AromaticContact CG-CD2 3.71Å; H302-W334 AromaticContact CG-CE2 3.35Å; H302-W334 AromaticContact CG-CG 3.99Å; H302-W334 AromaticContact CG-CZ2 3.79Å; H302-W334 AromaticContact CG-NE1 3.33Å; H302-W334 VanDerWaalsContact CG-NE1 3.33Å; H302-W334 AromaticContact ND1-CD1 3.97Å; H302-W334 AromaticContact ND1-NE1 3.54Å; H302-W334 AromaticContact NE2-CE2 3.71Å; H302-W334 AromaticContact NE2-CZ2 3.47Å; H302-W334 WeakPolarHBondContact NE2-CZ2 3.3Å; H302-W334 AromaticContact NE2-NE1 3.78Å; A330-W334 HydrophobicContact CB-CB 4.3Å; A330-W334 WeakPolarHBondContact CB-O 3.45Å; D331-W334 WeakPolarHBondContact O-CB 3.48Å; D331-W334 PolarHBondContact O-N 2.68Å; L332-W334 PolarHBondContact O-N 3.49Å; W334-Y356 WeakPolarHBondContact O-CE1 3.31Å; W334-Y356 PolarHBondContact O-OH 3.4Å; W334-Y356 VanDerWaalsContact O-OH 3.09Å | ||
| 335 | F | 95 | Very high | 79 | Confident | 7 Ų | 7 | 50 Ų | 50 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 154.3 | 177.3 | 68.2 | -81.7 | 0 | 0 | 0 | 110.8 | V254 Q255 N258 A259 I260 A277 V337 P348 T350 M353 | V254-F335 HydrophobicContact CB-CD1 4.27Å; Q255-F335 WeakPolarHBondContact O-CE1 3.34Å; N258-F335 PolarHBondContact O-N 3.47Å; A259-F335 CarbonylContact C-O 3.39Å; A259-F335 WeakPolarHBondContact CA-O 3.42Å; A259-F335 HydrophobicContact CB-CE1 4.1Å; A259-F335 HydrophobicContact CB-CE2 3.87Å; A259-F335 HydrophobicContact CB-CZ 3.59Å; I260-F335 PolarHBondContact N-O 3.24Å; A277-F335 HydrophobicContact CB-CB 4.06Å; A277-F335 HydrophobicContact CB-CD2 4.44Å; A277-F335 CarbonylContact O-C 3.57Å; A277-F335 WeakPolarHBondContact O-CA 3.37Å; F335-V337 HydrophobicContact CD2-CG1 3.69Å; F335-V337 HydrophobicContact CE2-CG1 3.39Å; F335-P348 HydrophobicContact CD2-CB 4.38Å; F335-P348 HydrophobicContact CD2-CG 3.97Å; F335-P348 HydrophobicContact CE2-CB 4.24Å; F335-P348 HydrophobicContact CE2-CG 3.78Å; F335-T350 HydrophobicContact CZ-CG2 4.26Å; F335-M353 HydrophobicContact CB-CE 3.7Å; F335-M353 HydrophobicContact CB-SD 3.37Å; F335-M353 WeakPolarHBondContact CB-SD 3.42Å; F335-M353 HydrophobicContact CD1-CE 4.07Å; F335-M353 HydrophobicContact CD1-SD 4.41Å; F335-M353 HydrophobicContact CD2-CE 3.71Å; F335-M353 HydrophobicContact CE2-CE 4.32Å; F335-M353 HydrophobicContact CG-CE 3.56Å; F335-M353 HydrophobicContact CG-SD 3.9Å |
| 336 | M | 93.7 | Very high | 76.5 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.03 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 139.6 | -178 | -65.5 | 168.5 | -73.6 | 0 | 0 | 110.6 | I260 L262 A277 T278 L280 M303 L328 A330 | I260-M336 HydrophobicContact CB-CG 4.08Å; I260-M336 HydrophobicContact CD1-CG 4.1Å; I260-M336 HydrophobicContact CG2-CG 4.45Å; I260-M336 WeakPolarHBondContact O-CA 3.49Å; L262-M336 HydrophobicContact CD1-CB 4.31Å; L262-M336 HydrophobicContact CD2-CG 4.37Å; L262-M336 HydrophobicContact CD2-SD 4.46Å; L262-M336 HydrophobicContact CG-CB 4.35Å; A277-M336 PolarHBondContact O-N 3.49Å; T278-M336 WeakPolarHBondContact O-CE 3.3Å; L280-M336 HydrophobicContact CB-CE 4.14Å; L280-M336 HydrophobicContact CD1-CB 3.65Å; L280-M336 HydrophobicContact CD1-CE 3.91Å; L280-M336 HydrophobicContact CD1-CG 4.39Å; L280-M336 HydrophobicContact CD1-SD 3.91Å; L280-M336 HydrophobicContact CG-CE 3.95Å; M303-M336 HydrophobicContact CG-SD 4.01Å; M303-M336 HydrophobicContact SD-CG 4.34Å; M303-M336 HydrophobicContact SD-SD 3.83Å; L328-M336 HydrophobicContact CB-CE 4.04Å; L328-M336 HydrophobicContact CB-SD 3.56Å; L328-M336 VanDerWaalsContact CB-SD 3.56Å; L328-M336 HydrophobicContact CD1-SD 4.09Å; L328-M336 HydrophobicContact CG-SD 4.47Å; A330-M336 HydrophobicContact CB-CE 4.1Å; A330-M336 HydrophobicContact CB-CG 4.47Å |
| 337 | V | 90.2 | Very high | 74.2 | Confident | 44 Ų | 44 | 59.1 Ų | 59.1 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 153.3 | 174.8 | -61.8 | 0 | 0 | 0 | 0 | 109.7 | A259 I260 N261 L262 F335 P348 | A259-V337 HydrophobicContact CB-CG1 4.39Å; A259-V337 HydrophobicContact CB-CG2 4.2Å; I260-V337 PolarHBondContact O-N 3.01Å; N261-V337 HydrophobicContact CB-CG2 4.27Å; L262-V337 PolarHBondContact N-O 2.77Å; F335-V337 HydrophobicContact CD2-CG1 3.69Å; F335-V337 HydrophobicContact CE2-CG1 3.39Å; V337-P348 HydrophobicContact CG1-CG 4.5Å |
| 338 | N | 81.8 | Confident | 72 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | trans | -144.8 | 159.1 | 169.1 | 71.9 | -10.1 | 0 | 0 | 0 | 110.5 | L262 L273 L340 S341 A342 | L262-N338 HydrophobicContact CB-CB 4.13Å; L273-N338 WeakPolarHBondContact CD2-ND2 3.36Å; N338-L340 PolarHBondContact O-N 3.31Å; N338-S341 PolarHBondContact O-N 3.24Å; N338-S341 WeakPolarHBondContact OD1-CA 3.37Å; N338-S341 WeakPolarHBondContact OD1-CB 3.37Å; N338-S341 PolarHBondContact OD1-N 2.73Å; N338-A342 PolarHBondContact O-N 2.68Å; N338-A342 VanDerWaalsContact O-N 3.08Å | ||
| 339 | G | 64.1 | Low | 70.2 | Confident | 31 Ų | 31 | 63 Ų | 63 | 32% | 0.32 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -21.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D263 S341 A342 | D263-G339 PolarHBondContact OD1-N 2.88Å; D263-G339 WeakPolarHBondContact OD2-CA 2.86Å; D263-G339 PolarHBondContact OD2-N 2.98Å; G339-S341 VanDerWaalsContact C-N 3.32Å; G339-A342 PolarHBondContact O-N 3.17Å |
| 340 | L | 54.2 | Low | 68.9 | Low | 106 Ų | 106 | 64.9 Ų | 64.9 | 56% | 0.555 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -30.8 | 170.3 | -63.3 | 171.6 | 0 | 0 | 0 | 112 | N338 | N338-L340 PolarHBondContact O-N 3.31Š|
| 341 | S | 48 | Very low | 68.4 | Low | 42 Ų | 42 | 65.2 Ų | 65.2 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -15.1 | 174.7 | -167.9 | 0 | 0 | 0 | 0 | 113.2 | N338 G339 N343 K344 | N338-S341 PolarHBondContact O-N 3.24Å; N338-S341 WeakPolarHBondContact OD1-CA 3.37Å; N338-S341 WeakPolarHBondContact OD1-CB 3.37Å; N338-S341 PolarHBondContact OD1-N 2.73Å; G339-S341 VanDerWaalsContact C-N 3.32Å; S341-N343 PolarHBondContact O-N 3.47Å; S341-K344 WeakPolarHBondContact O-CA 3.45Å; S341-K344 VanDerWaalsContact O-CB 3.3Å; S341-K344 WeakPolarHBondContact O-CB 3.46Å; S341-K344 PolarHBondContact O-N 3.35Å; S341-K344 VanDerWaalsContact O-O 3.14Å |
| 342 | A | 40.3 | Very low | 68.3 | Low | 82 Ų | 82 | 63 Ų | 63 | 68% | 0.678 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N338 G339 | N338-A342 PolarHBondContact O-N 2.68Å; N338-A342 VanDerWaalsContact O-N 3.08Å; G339-A342 PolarHBondContact O-N 3.17Å |
| 343 | N | 36 | Very low | 68.3 | Low | 152 Ų | 152 | 61.7 Ų | 61.7 | 81% | 0.813 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -11.8 | 169.9 | -81.3 | -27 | 0 | 0 | 0 | 114 | S341 | S341-N343 PolarHBondContact O-N 3.47Š|
| 344 | K | 44.4 | Very low | 68.3 | Low | 105 Ų | 105 | 59 Ų | 59 | 46% | 0.457 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -79.3 | 120.7 | 166 | -65.6 | -174.7 | 176.3 | -177.3 | 0 | 106.5 | S341 S346 | S341-K344 WeakPolarHBondContact O-CA 3.45Å; S341-K344 VanDerWaalsContact O-CB 3.3Å; S341-K344 WeakPolarHBondContact O-CB 3.46Å; S341-K344 PolarHBondContact O-N 3.35Å; S341-K344 VanDerWaalsContact O-O 3.14Å; K344-S346 PolarHBondContact O-N 2.76Å |
| 345 | K | 38.3 | Very low | 68.3 | Low | 223 Ų | 223 | 56.8 Ų | 56.8 | 97% | 0.97 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -58.9 | 10.2 | -169.7 | -73.4 | -178.6 | 174.2 | 177.8 | 0 | 117.2 | ||
| 346 | S | 44.6 | Very low | 68.5 | Low | 80 Ų | 80 | 56.5 Ų | 56.5 | 56% | 0.559 | 32% | 0.32 | S | S | * | . | trans | -116.6 | 94.1 | 173.6 | 54.5 | 0 | 0 | 0 | 0 | 108.5 | K344 | K344-S346 PolarHBondContact O-N 2.76Š| ||
| 347 | E | 49.1 | Very low | 68.6 | Low | 145 Ų | 145 | 57.4 Ų | 57.4 | 68% | 0.678 | 33% | 0.325 | S | S | * | . | trans | -48 | 127.6 | 142.9 | -89.3 | -148.1 | 178.3 | 0 | 0 | 105.5 | K256 S349 | K256-E347 IonicContact NZ-OE2 2.81Å; K256-E347 PolarHBondContact NZ-OE2 2.84Å; E347-S349 PolarHBondContact O-N 2.79Å | ||
| 348 | P | 53.8 | Low | 69 | Low | 35 Ų | 35 | 56.2 Ų | 56.2 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | trans | -55.5 | 123.5 | 178.9 | -17 | 27.2 | 0 | 0 | 0 | 107.4 | F335 V337 T350 M353 | F335-P348 HydrophobicContact CD2-CB 4.38Å; F335-P348 HydrophobicContact CD2-CG 3.97Å; F335-P348 HydrophobicContact CE2-CB 4.24Å; F335-P348 HydrophobicContact CE2-CG 3.78Å; V337-P348 HydrophobicContact CG1-CG 4.5Å; P348-T350 WeakPolarHBondContact O-CG2 3.28Å; P348-T350 PolarHBondContact O-N 2.77Å; P348-M353 HydrophobicContact CB-CE 3.12Å; P348-M353 HydrophobicContact CG-CE 3.98Å | ||
| 349 | S | 58.8 | Low | 69.6 | Low | 47 Ų | 47 | 59.1 Ų | 59.1 | 33% | 0.329 | 34% | 0.338 | S | S | . | . | trans | -57.5 | 115.1 | 175.7 | 49.4 | 0 | 0 | 0 | 0 | 106.7 | H205 E347 G351 | H205-S349 CarbonylContact O-C 3.54Å; H205-S349 WeakPolarHBondContact O-CB 3.5Å; H205-S349 VanDerWaalsContact O-O 3.06Å; H205-S349 PolarHBondContact O-OG 2.67Å; E347-S349 PolarHBondContact O-N 2.79Å; S349-G351 PolarHBondContact O-N 2.86Å | ||
| 350 | T | 69.3 | Low | 71.2 | Confident | 43 Ų | 43 | 60 Ų | 60 | 26% | 0.264 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -83.7 | 42.6 | -169.8 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | V254 K256 F335 P348 | V254-T350 CarbonylContact O-C 3.44Å; K256-T350 HydrophobicContact CB-CG2 4.18Å; K256-T350 HydrophobicContact CD-CG2 4.17Å; K256-T350 VanDerWaalsContact CE-OG1 3.27Å; K256-T350 WeakPolarHBondContact CE-OG1 3.24Å; K256-T350 HydrophobicContact CG-CG2 3.17Å; K256-T350 WeakPolarHBondContact CG-OG1 3.5Å; F335-T350 HydrophobicContact CZ-CG2 4.26Å; P348-T350 WeakPolarHBondContact O-CG2 3.28Å; P348-T350 PolarHBondContact O-N 2.77Å |
| 351 | G | 87.1 | Confident | 73.3 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 8% | 0.082 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -96.7 | -66.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | H205 G208 S253 V254 S349 | H205-G351 WeakPolarHBondContact O-CA 3.22Å; H205-G351 PolarHBondContact O-N 2.9Å; G208-G351 WeakPolarHBondContact CA-O 3.39Å; G208-G351 VanDerWaalsContact N-C 3.32Å; G208-G351 VanDerWaalsContact N-CA 3.35Å; S253-G351 WeakPolarHBondContact CA-O 3.29Å; V254-G351 PolarHBondContact N-O 3.09Å; V254-G351 VanDerWaalsContact N-O 3.11Å; S349-G351 PolarHBondContact O-N 2.86Å |
| 352 | G | 95.9 | Very high | 75.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G204 H205 A252 | G204-G352 WeakPolarHBondContact O-CA 3.32Å; G204-G352 PolarHBondContact O-N 2.76Å; H205-G352 PolarHBondContact ND1-O 3.45Å; H205-G352 PolarHBondContact O-N 3.42Å; H205-G352 VanDerWaalsContact O-N 3.15Å; A252-G352 CarbonylContact O-C 3.48Å; A252-G352 WeakPolarHBondContact O-CA 3.4Å |
| 353 | M | 96 | Very high | 78.5 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 162.8 | 170.5 | -70.9 | -171.9 | -174.9 | 0 | 0 | 112 | M251 A252 V254 A277 T278 F335 P348 Y356 | M251-M353 VanDerWaalsContact SD-CA 3.57Å; M251-M353 PolarHBondContact SD-N 3.49Å; M251-M353 VanDerWaalsContact SD-O 3.34Å; A252-M353 PolarHBondContact N-O 2.61Å; A252-M353 PolarHBondContact O-N 3.27Å; V254-M353 HydrophobicContact CG1-CB 3.85Å; V254-M353 HydrophobicContact CG1-CG 3.92Å; V254-M353 HydrophobicContact CG1-SD 4.06Å; V254-M353 HydrophobicContact CG2-CB 4.44Å; V254-M353 HydrophobicContact CG2-CE 4.22Å; V254-M353 HydrophobicContact CG2-CG 3.81Å; V254-M353 HydrophobicContact CG2-SD 4.32Å; A277-M353 HydrophobicContact CB-CE 3.83Å; A277-M353 HydrophobicContact CB-SD 3.82Å; T278-M353 HydrophobicContact CG2-CB 3.93Å; T278-M353 HydrophobicContact CG2-SD 3.88Å; F335-M353 HydrophobicContact CB-CE 3.7Å; F335-M353 HydrophobicContact CB-SD 3.37Å; F335-M353 WeakPolarHBondContact CB-SD 3.42Å; F335-M353 HydrophobicContact CD1-CE 4.07Å; F335-M353 HydrophobicContact CD1-SD 4.41Å; F335-M353 HydrophobicContact CD2-CE 3.71Å; F335-M353 HydrophobicContact CE2-CE 4.32Å; F335-M353 HydrophobicContact CG-CE 3.56Å; F335-M353 HydrophobicContact CG-SD 3.9Å; P348-M353 HydrophobicContact CB-CE 3.12Å; P348-M353 HydrophobicContact CG-CE 3.98Å; M353-Y356 HydrophobicContact CB-CE2 4.11Å |
| 354 | H | 97.5 | Very high | 81.5 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | trans | -139.8 | 177.7 | 172 | 60.9 | 94.1 | 0 | 0 | 0 | 109.1 | T77 D201 H205 H249 T278 M363 | T77-H354 PolarHBondContact O-ND1 2.73Å; D201-H354 IonicContact OD1-CD2 3.2Å; D201-H354 IonicContact OD1-NE2 2.68Å; H205-H354 AromaticContact CE1-CD2 3.5Å; H205-H354 AromaticContact CE1-NE2 3.47Å; H205-H354 PolarHBondContact CE1-NE2 3.16Å; H205-H354 AromaticContact NE2-CD2 3.61Å; H205-H354 AromaticContact NE2-NE2 3.19Å; H205-H354 PolarHBondContact NE2-NE2 3.07Å; H205-H354 VanDerWaalsContact NE2-NE2 3.19Å; H249-H354 AromaticContact CD2-CE1 3.88Å; H249-H354 AromaticContact CD2-ND1 3.5Å; H249-H354 PolarHBondContact CD2-ND1 3.31Å; H249-H354 AromaticContact CE1-CD2 3.43Å; H249-H354 PolarHBondContact CE1-CD2 3.14Å; H249-H354 VanDerWaalsContact CE1-CD2 3.43Å; H249-H354 AromaticContact CE1-CE1 3.34Å; H249-H354 PolarHBondContact CE1-CE1 3.02Å; H249-H354 AromaticContact CE1-CG 3.28Å; H249-H354 AromaticContact CE1-ND1 3.23Å; H249-H354 PolarHBondContact CE1-ND1 2.99Å; H249-H354 AromaticContact CE1-NE2 3.54Å; H249-H354 AromaticContact CG-ND1 3.76Å; H249-H354 AromaticContact ND1-CD2 3.96Å; H249-H354 AromaticContact ND1-CG 3.44Å; H249-H354 AromaticContact ND1-ND1 3.58Å; H249-H354 AromaticContact NE2-CD2 3.97Å; H249-H354 AromaticContact NE2-CE1 3.06Å; H249-H354 PolarHBondContact NE2-CE1 3.31Å; H249-H354 AromaticContact NE2-CG 3.68Å; H249-H354 AromaticContact NE2-ND1 3.09Å; H249-H354 PolarHBondContact NE2-ND1 3.29Å; H249-H354 AromaticContact NE2-NE2 3.68Å; T278-H354 VanDerWaalsContact CG2-O 3.3Å; T278-H354 WeakPolarHBondContact CG2-O 3.43Å; T278-H354 PolarHBondContact OG1-O 3.43Å; H354-M363 HydrophobicContact CB-CE 4.16Å; H354-M363 HydrophobicContact CB-SD 3.83Å | ||
| 355 | G | 97 | Very high | 84 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | trans | 105.4 | 5.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T77 T278 | T77-G355 PolarHBondContact O-N 2.99Å; T77-G355 WeakPolarHBondContact OG1-CA 3.37Å; T77-G355 PolarHBondContact OG1-N 2.92Å; T278-G355 WeakPolarHBondContact OG1-CA 3.35Å | ||
| 356 | Y | 97.7 | Very high | 86.9 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -75.3 | -179.4 | 176.5 | -55.3 | -76.2 | 0 | 0 | 0 | 111.6 | T77 A252 V254 T278 D331 L332 W334 M353 N358 M363 | T77-Y356 VanDerWaalsContact CG2-O 3.29Å; T77-Y356 WeakPolarHBondContact CG2-O 3.29Å; T77-Y356 PolarHBondContact OG1-N 2.88Å; T77-Y356 PolarHBondContact OG1-O 3.47Å; A252-Y356 HydrophobicContact CB-CD2 4.18Å; A252-Y356 HydrophobicContact CB-CE2 3.81Å; V254-Y356 WeakPolarHBondContact CG1-OH 3.1Å; T278-Y356 HydrophobicContact CG2-CD1 4.13Å; T278-Y356 HydrophobicContact CG2-CD2 4.44Å; T278-Y356 HydrophobicContact CG2-CE1 3.53Å; T278-Y356 HydrophobicContact CG2-CE2 3.87Å; D331-Y356 VanDerWaalsContact O-CE1 3.28Å; D331-Y356 WeakPolarHBondContact O-CE1 3.42Å; L332-Y356 HydrophobicContact CD1-CD2 3.76Å; L332-Y356 HydrophobicContact CD1-CE2 4.15Å; L332-Y356 HydrophobicContact CD1-CG 3.96Å; W334-Y356 WeakPolarHBondContact O-CE1 3.31Å; W334-Y356 PolarHBondContact O-OH 3.4Å; W334-Y356 VanDerWaalsContact O-OH 3.09Å; M353-Y356 HydrophobicContact CB-CE2 4.11Å; Y356-N358 PolarHBondContact O-N 3.29Å; Y356-M363 HydrophobicContact CD2-CE 3.8Å; Y356-M363 HydrophobicContact CD2-SD 3.74Å; Y356-M363 HydrophobicContact CE2-CE 4.49Å; Y356-M363 HydrophobicContact CG-SD 4.39Å |
| 357 | N | 96.9 | Very high | 89.5 | Confident | 26 Ų | 26 | 28.7 Ų | 28.7 | 14% | 0.139 | 17% | 0.166 | C | C | . | . | trans | -53.3 | 127.8 | 174.7 | -175.2 | -39.8 | 0 | 0 | 0 | 111.5 | Y315 S359 L360 | Y315-N357 WeakPolarHBondContact CE1-ND2 3.14Å; Y315-N357 PolarHBondContact OH-ND2 3.02Å; N357-S359 PolarHBondContact O-N 3.33Å; N357-S359 VanDerWaalsContact OD1-CB 3.28Å; N357-S359 WeakPolarHBondContact OD1-CB 3.42Å; N357-S359 PolarHBondContact OD1-N 3.35Å; N357-S359 PolarHBondContact OD1-OG 3Å; N357-L360 HydrophobicContact CB-CD1 4.05Å; N357-L360 HydrophobicContact CB-CG 4.19Å; N357-L360 VanDerWaalsContact O-CB 3.31Å; N357-L360 WeakPolarHBondContact O-CB 3.47Å; N357-L360 WeakPolarHBondContact O-CG 3.34Å; N357-L360 PolarHBondContact O-N 2.98Å; N357-L360 VanDerWaalsContact O-N 3.15Å | ||
| 358 | N | 97.2 | Very high | 91.9 | Very high | 19 Ų | 19 | 21.8 Ų | 21.8 | 10% | 0.102 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -17.9 | -177.5 | 61.7 | -26.8 | 0 | 0 | 0 | 113.9 | L72 N73 T77 Y356 L360 | L72-N358 HydrophobicContact CD1-CB 4.21Å; L72-N358 VanDerWaalsContact CD1-O 3.24Å; L72-N358 WeakPolarHBondContact CD1-O 3.15Å; N73-N358 VanDerWaalsContact O-CB 3.3Å; N73-N358 WeakPolarHBondContact O-CB 3.43Å; N73-N358 PolarHBondContact O-ND2 3.39Å; T77-N358 HydrophobicContact CG2-CB 3.63Å; Y356-N358 PolarHBondContact O-N 3.29Å; N358-L360 PolarHBondContact O-N 2.81Å |
| 359 | S | 96 | Very high | 94 | Very high | 74 Ų | 74 | 20.1 Ų | 20.1 | 52% | 0.517 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -12.6 | 173.2 | 83.4 | 0 | 0 | 0 | 0 | 113.1 | N357 | N357-S359 PolarHBondContact O-N 3.33Å; N357-S359 VanDerWaalsContact OD1-CB 3.28Å; N357-S359 WeakPolarHBondContact OD1-CB 3.42Å; N357-S359 PolarHBondContact OD1-N 3.35Å; N357-S359 PolarHBondContact OD1-OG 3Å |
| 360 | L | 97.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 18.7 Ų | 18.7 | 26% | 0.257 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -79.4 | 130.5 | -178.2 | -62.1 | 171.7 | 0 | 0 | 0 | 110.5 | L332 N357 N358 D362 M363 | L332-L360 HydrophobicContact CB-CD1 4.03Å; L332-L360 HydrophobicContact CD1-CD1 4Å; L332-L360 HydrophobicContact CD2-CD1 4.35Å; L332-L360 HydrophobicContact CG-CD1 4.34Å; N357-L360 HydrophobicContact CB-CD1 4.05Å; N357-L360 HydrophobicContact CB-CG 4.19Å; N357-L360 VanDerWaalsContact O-CB 3.31Å; N357-L360 WeakPolarHBondContact O-CB 3.47Å; N357-L360 WeakPolarHBondContact O-CG 3.34Å; N357-L360 PolarHBondContact O-N 2.98Å; N357-L360 VanDerWaalsContact O-N 3.15Å; N358-L360 PolarHBondContact O-N 2.81Å; L360-D362 PolarHBondContact O-N 3.04Å; L360-D362 VanDerWaalsContact O-N 3.08Å; L360-M363 HydrophobicContact CB-CG 4.5Å; L360-M363 PolarHBondContact O-N 3.36Å |
| 361 | P | 97.8 | Very high | 97.3 | Very high | 69 Ų | 69 | 17.6 Ų | 17.6 | 45% | 0.448 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | -56.1 | -27.8 | 177.9 | -27.2 | 35.5 | 0 | 0 | 0 | 114.2 | W45 M363 Q364 | W45-P361 PolarHBondContact NE1-O 3.4Å; P361-M363 PolarHBondContact O-N 3.29Å; P361-Q364 PolarHBondContact O-N 3Å |
| 362 | D | 98.4 | Very high | 97.7 | Very high | 39 Ų | 39 | 20 Ų | 20 | 21% | 0.209 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -60.9 | -28.7 | 175.8 | -66.5 | -103.9 | 0 | 0 | 0 | 112.9 | R44 G250 M251 A252 L332 L360 | R44-D362 WeakPolarHBondContact CD-O 3.46Å; R44-D362 IonicContact NH1-OD1 3.76Å; R44-D362 PolarHBondContact NH1-OD1 3.46Å; G250-D362 CarbonylContact C-O 3.55Å; G250-D362 VanDerWaalsContact CA-O 3.27Å; G250-D362 WeakPolarHBondContact CA-O 3.37Å; M251-D362 PolarHBondContact N-O 3.43Å; A252-D362 HydrophobicContact CB-CB 4.14Å; L332-D362 HydrophobicContact CD1-CB 4.08Å; L360-D362 PolarHBondContact O-N 3.04Å; L360-D362 VanDerWaalsContact O-N 3.08Å |
| 363 | M | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -95 | -4.7 | -177.2 | -63 | -61.1 | 92.6 | 0 | 0 | 114.2 | N73 T77 H249 G250 A252 H354 Y356 L360 P361 P365 | N73-M363 PolarHBondContact ND2-O 3.36Å; N73-M363 PolarHBondContact OD1-O 3.43Å; T77-M363 HydrophobicContact CG2-CB 3.89Å; T77-M363 HydrophobicContact CG2-CG 4.16Å; T77-M363 PolarHBondContact OG1-SD 2.84Å; H249-M363 CarbonylContact C-O 3.52Å; H249-M363 WeakPolarHBondContact CA-O 3.36Å; G250-M363 VanDerWaalsContact N-C 3.3Å; G250-M363 PolarHBondContact N-O 2.99Å; A252-M363 HydrophobicContact CB-CE 3.89Å; H354-M363 HydrophobicContact CB-CE 4.16Å; H354-M363 HydrophobicContact CB-SD 3.83Å; Y356-M363 HydrophobicContact CD2-CE 3.8Å; Y356-M363 HydrophobicContact CD2-SD 3.74Å; Y356-M363 HydrophobicContact CE2-CE 4.49Å; Y356-M363 HydrophobicContact CG-SD 4.39Å; L360-M363 HydrophobicContact CB-CG 4.5Å; L360-M363 PolarHBondContact O-N 3.36Å; P361-M363 PolarHBondContact O-N 3.29Å; M363-P365 WeakPolarHBondContact O-CD 3.2Å |
| 364 | Q | 98.6 | Very high | 97.8 | Very high | 26 Ų | 26 | 20.8 Ų | 20.8 | 12% | 0.121 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 121.4 | -172.6 | -68 | 176.3 | -19.2 | 0 | 0 | 111.6 | R44 W45 T69 L71 P361 | R44-Q364 WeakPolarHBondContact CA-O 3.46Å; W45-Q364 HydrophobicContact CG-CB 4.44Å; W45-Q364 PolarHBondContact N-O 3.02Å; T69-Q364 PolarHBondContact O-OE1 3.12Å; L71-Q364 WeakPolarHBondContact O-CB 3.42Å; L71-Q364 WeakPolarHBondContact O-CG 3.5Å; P361-Q364 PolarHBondContact O-N 3Å |
| 365 | P | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -74.5 | 154.5 | 175.6 | 30.3 | -35.5 | 0 | 0 | 0 | 112.2 | G70 L71 N73 S247 M363 | G70-P365 CarbonylContact C-O 3.58Å; G70-P365 WeakPolarHBondContact CA-O 3.44Å; L71-P365 HydrophobicContact CB-CG 4.08Å; L71-P365 PolarHBondContact N-O 3.37Å; L71-P365 WeakPolarHBondContact O-CD 3.42Å; N73-P365 HydrophobicContact CB-CG 4.18Å; S247-P365 VanDerWaalsContact C-CB 3.44Å; S247-P365 VanDerWaalsContact CB-CB 3.46Å; S247-P365 WeakPolarHBondContact O-CB 3.39Å; M363-P365 WeakPolarHBondContact O-CD 3.2Å |
| 366 | Y | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 160.6 | 171.3 | 85.5 | -65 | 0 | 0 | 0 | 112.7 | Y40 F43 L48 F57 F245 T246 I368 | Y40-Y366 WeakPolarHBondContact CD2-OH 3.32Å; F43-Y366 HydrophobicContact CB-CD1 3.56Å; F43-Y366 HydrophobicContact CB-CE1 3.58Å; F43-Y366 AromaticContact CD1-CD1 3.51Å; F43-Y366 HydrophobicContact CD1-CD1 3.51Å; F43-Y366 HydrophobicContact CD1-CD2 4.41Å; F43-Y366 HydrophobicContact CD1-CE1 4.01Å; F43-Y366 AromaticContact CD1-CG 3.73Å; F43-Y366 HydrophobicContact CD1-CG 3.73Å; F43-Y366 HydrophobicContact CD2-CD1 4.45Å; F43-Y366 HydrophobicContact CD2-CE1 4.13Å; F43-Y366 HydrophobicContact CE1-CD1 4.32Å; F43-Y366 HydrophobicContact CE1-CD2 4.46Å; F43-Y366 HydrophobicContact CE1-CG 4.15Å; F43-Y366 AromaticContact CG-CD1 3.6Å; F43-Y366 HydrophobicContact CG-CD1 3.6Å; F43-Y366 AromaticContact CG-CE1 3.65Å; F43-Y366 HydrophobicContact CG-CE1 3.65Å; F43-Y366 HydrophobicContact CG-CG 4.25Å; F43-Y366 WeakPolarHBondContact O-CD1 3.44Å; F43-Y366 PolarHBondContact O-N 3Å; L48-Y366 HydrophobicContact CD1-CD2 4.21Å; L48-Y366 HydrophobicContact CD2-CD2 4.2Å; L48-Y366 HydrophobicContact CG-CD2 4.45Å; F57-Y366 HydrophobicContact CE1-CE2 4.16Å; F245-Y366 HydrophobicContact CB-CE2 3.73Å; T246-Y366 WeakPolarHBondContact CA-O 3.42Å; T246-Y366 WeakPolarHBondContact O-CE1 3.4Å; T246-Y366 PolarHBondContact O-OH 2.91Å; T246-Y366 PolarHBondContact OG1-O 2.93Å; Y366-I368 HydrophobicContact CD2-CD1 4.23Å; Y366-I368 HydrophobicContact CD2-CG1 4.32Å; Y366-I368 HydrophobicContact CE2-CD1 4.43Å |
| 367 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 128.5 | 170.1 | 178.6 | -91.4 | 0 | 0 | 0 | 111.4 | H66 A67 L71 I244 F245 A369 F383 V388 L391 L413 | H66-F367 PolarHBondContact ND1-O 2.92Å; A67-F367 HydrophobicContact CB-CB 4.02Å; A67-F367 HydrophobicContact CB-CD1 4.29Å; A67-F367 PolarHBondContact N-O 3.23Å; L71-F367 HydrophobicContact CD1-CB 4.09Å; L71-F367 HydrophobicContact CD1-CD2 3.89Å; L71-F367 HydrophobicContact CD1-CG 4.3Å; L71-F367 HydrophobicContact CD2-CB 3.58Å; L71-F367 HydrophobicContact CD2-CD2 4.19Å; L71-F367 HydrophobicContact CD2-CG 3.87Å; L71-F367 HydrophobicContact CG-CB 3.76Å; L71-F367 HydrophobicContact CG-CD2 4.42Å; L71-F367 HydrophobicContact CG-CG 4.34Å; I244-F367 HydrophobicContact CG2-CD2 4.13Å; I244-F367 HydrophobicContact CG2-CE2 3.53Å; I244-F367 HydrophobicContact CG2-CZ 4.26Å; F245-F367 WeakPolarHBondContact O-CA 3.36Å; F367-A369 HydrophobicContact CE1-CB 3.89Å; F367-A369 HydrophobicContact CZ-CB 3.76Å; F367-F383 HydrophobicContact CD1-CE1 4.05Å; F367-F383 AromaticContact CD1-CZ 3.91Å; F367-F383 HydrophobicContact CD1-CZ 3.91Å; F367-F383 AromaticContact CD2-CZ 3.98Å; F367-F383 HydrophobicContact CD2-CZ 3.98Å; F367-F383 HydrophobicContact CE1-CE1 4.05Å; F367-F383 AromaticContact CE1-CZ 3.76Å; F367-F383 HydrophobicContact CE1-CZ 3.76Å; F367-F383 AromaticContact CE2-CZ 3.8Å; F367-F383 HydrophobicContact CE2-CZ 3.8Å; F367-F383 HydrophobicContact CG-CE1 4.44Å; F367-F383 HydrophobicContact CG-CZ 4.02Å; F367-F383 HydrophobicContact CZ-CE1 4.43Å; F367-F383 AromaticContact CZ-CZ 3.7Å; F367-F383 HydrophobicContact CZ-CZ 3.7Å; F367-V388 HydrophobicContact CE2-CG2 4.16Å; F367-L391 HydrophobicContact CZ-CD2 4.18Å; F367-L413 HydrophobicContact CE1-CD2 3.99Å; F367-L413 HydrophobicContact CZ-CD2 4.05Å |
| 368 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 131.7 | 170.2 | -55.9 | 164.8 | 0 | 0 | 0 | 108.8 | L48 F57 L60 I61 V65 H66 F245 Y366 | L48-I368 HydrophobicContact CD1-CD1 4.01Å; L48-I368 HydrophobicContact CD1-CG1 4.35Å; L48-I368 HydrophobicContact CD2-CD1 3.81Å; F57-I368 HydrophobicContact CD1-CD1 3.93Å; L60-I368 HydrophobicContact CB-CG2 3.73Å; I61-I368 HydrophobicContact CD1-CD1 4.21Å; I61-I368 HydrophobicContact CG1-CD1 3.72Å; I61-I368 HydrophobicContact CG1-CG1 4.09Å; V65-I368 CarbonylContact O-C 3.55Å; V65-I368 VanDerWaalsContact O-CA 3.31Å; V65-I368 WeakPolarHBondContact O-CA 3.35Å; H66-I368 HydrophobicContact CB-CG1 4.48Å; F245-I368 HydrophobicContact CB-CB 4.41Å; F245-I368 PolarHBondContact N-O 3.17Å; F245-I368 PolarHBondContact O-N 3.19Å; Y366-I368 HydrophobicContact CD2-CD1 4.23Å; Y366-I368 HydrophobicContact CD2-CG1 4.32Å; Y366-I368 HydrophobicContact CE2-CD1 4.43Å |
| 369 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 135.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G64 V65 I243 I244 F367 F374 | G64-A369 CarbonylContact C-O 3.49Å; G64-A369 VanDerWaalsContact CA-O 3.24Å; G64-A369 WeakPolarHBondContact CA-O 3.39Å; V65-A369 PolarHBondContact N-O 2.88Å; V65-A369 PolarHBondContact O-N 2.9Å; I243-A369 CarbonylContact O-C 3.33Å; I243-A369 WeakPolarHBondContact O-CA 2.97Å; I244-A369 HydrophobicContact CG1-CB 4.2Å; F367-A369 HydrophobicContact CE1-CB 3.89Å; F367-A369 HydrophobicContact CZ-CB 3.76Å; A369-F374 HydrophobicContact CB-CD1 3.76Å; A369-F374 HydrophobicContact CB-CD2 3.99Å; A369-F374 HydrophobicContact CB-CE1 3.59Å; A369-F374 HydrophobicContact CB-CE2 3.79Å; A369-F374 HydrophobicContact CB-CG 3.96Å; A369-F374 HydrophobicContact CB-CZ 3.6Å |
| 370 | V | 98.6 | Very high | 98 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 10% | 0.097 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 153.2 | -179.5 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | L60 N242 I243 F374 | L60-V370 HydrophobicContact CB-CG1 4.24Å; L60-V370 HydrophobicContact CD2-CB 4.28Å; L60-V370 HydrophobicContact CD2-CG1 3.65Å; L60-V370 HydrophobicContact CD2-CG2 3.71Å; N242-V370 CarbonylContact C-O 3.51Å; N242-V370 WeakPolarHBondContact CA-O 3.38Å; I243-V370 HydrophobicContact CB-CG2 3.95Å; I243-V370 HydrophobicContact CD1-CG2 4.39Å; I243-V370 HydrophobicContact CG1-CG2 4.41Å; I243-V370 PolarHBondContact N-O 2.94Å; I243-V370 PolarHBondContact O-N 3.41Å; V370-F374 WeakPolarHBondContact O-CD2 3.48Å |
| 371 | G | 97.3 | Very high | 97.9 | Very high | 20 Ų | 20 | 32 Ų | 32 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 139.3 | -176.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | M241 A373 F374 R415 | M241-G371 WeakPolarHBondContact O-CA 3.23Å; G371-A373 VanDerWaalsContact C-N 3.29Å; G371-A373 PolarHBondContact O-N 2.89Å; G371-F374 PolarHBondContact O-N 3.45Å; G371-R415 PolarHBondContact O-NH2 2.99Å |
| 372 | P | 95.8 | Very high | 97.9 | Very high | 58 Ų | 58 | 30.7 Ų | 30.7 | 38% | 0.377 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -64.3 | -28.6 | -177.5 | 24.2 | -33.5 | 0 | 0 | 0 | 114 | M241 N242 R415 | M241-P372 VanDerWaalsContact O-CD 3.28Å; M241-P372 WeakPolarHBondContact O-CD 3.27Å; N242-P372 VanDerWaalsContact OD1-CD 3.24Å; N242-P372 WeakPolarHBondContact OD1-CD 3.4Å; P372-R415 WeakPolarHBondContact O-CD 3.15Å |
| 373 | A | 96.8 | Very high | 97.9 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 22% | 0.223 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -79.2 | -28 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N242 G371 I395 L414 R415 | N242-A373 WeakPolarHBondContact OD1-CB 3.34Å; N242-A373 PolarHBondContact OD1-N 3.28Å; G371-A373 VanDerWaalsContact C-N 3.29Å; G371-A373 PolarHBondContact O-N 2.89Å; A373-I395 HydrophobicContact CB-CD1 4.28Å; A373-I395 HydrophobicContact CB-CG1 3.94Å; A373-I395 HydrophobicContact CB-CG2 4.3Å; A373-L414 HydrophobicContact CB-CD2 4.05Å; A373-L414 CarbonylContact O-C 3.59Å; A373-L414 VanDerWaalsContact O-CA 3.29Å; A373-L414 WeakPolarHBondContact O-CA 3.37Å; A373-R415 PolarHBondContact O-N 3.32Å |
| 374 | F | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -89.8 | 144.6 | -171.2 | -67.8 | -69.5 | 0 | 0 | 0 | 113.6 | V65 N242 I244 A369 V370 G371 L391 I395 L413 L414 R415 | V65-F374 HydrophobicContact CG2-CB 4.25Å; V65-F374 HydrophobicContact CG2-CD1 4.49Å; N242-F374 HydrophobicContact CB-CD2 4.42Å; N242-F374 HydrophobicContact CB-CE2 4Å; I244-F374 HydrophobicContact CD1-CZ 3.98Å; I244-F374 HydrophobicContact CG1-CE2 4.07Å; I244-F374 HydrophobicContact CG1-CZ 3.75Å; A369-F374 HydrophobicContact CB-CD1 3.76Å; A369-F374 HydrophobicContact CB-CD2 3.99Å; A369-F374 HydrophobicContact CB-CE1 3.59Å; A369-F374 HydrophobicContact CB-CE2 3.79Å; A369-F374 HydrophobicContact CB-CG 3.96Å; A369-F374 HydrophobicContact CB-CZ 3.6Å; V370-F374 WeakPolarHBondContact O-CD2 3.48Å; G371-F374 PolarHBondContact O-N 3.45Å; F374-L391 HydrophobicContact CE1-CD1 3.96Å; F374-L391 HydrophobicContact CE1-CD2 3.81Å; F374-L391 HydrophobicContact CE1-CG 4.2Å; F374-L391 HydrophobicContact CZ-CD1 4.47Å; F374-L391 HydrophobicContact CZ-CD2 4.05Å; F374-L391 HydrophobicContact CZ-CG 4.35Å; F374-I395 HydrophobicContact CE1-CD1 3.99Å; F374-I395 HydrophobicContact CE2-CD1 3.79Å; F374-I395 HydrophobicContact CZ-CD1 3.33Å; F374-L413 HydrophobicContact CD1-CB 4.42Å; F374-L414 HydrophobicContact CD1-CD2 4.24Å; F374-L414 HydrophobicContact CE1-CD2 4.2Å; F374-R415 VanDerWaalsContact C-CG 3.49Å; F374-R415 VanDerWaalsContact O-CG 3.22Å; F374-R415 WeakPolarHBondContact O-CG 3.48Å; F374-R415 PolarHBondContact O-NE 2.67Å; F374-R415 PolarHBondContact O-NH2 3.06Å |
| 375 | K | 98.1 | Very high | 97.9 | Very high | 72 Ų | 72 | 29.8 Ų | 29.8 | 31% | 0.313 | 20% | 0.196 | S | C | . | . | trans | -58.5 | 161.2 | 165.4 | -68.5 | 179.1 | -179.4 | 167.6 | 0 | 110.6 | G64 V65 V378 Y412 L413 L414 R415 | G64-K375 CarbonylContact C-O 3.51Å; V65-K375 HydrophobicContact CG2-CB 3.95Å; V65-K375 WeakPolarHBondContact CG2-O 3.29Å; K375-V378 HydrophobicContact CB-CB 4.34Å; K375-V378 HydrophobicContact CB-CG2 3.77Å; K375-V378 HydrophobicContact CD-CG2 4.24Å; K375-Y412 WeakPolarHBondContact CD-O 3.06Å; K375-Y412 WeakPolarHBondContact CE-O 3.47Å; K375-Y412 PolarHBondContact NZ-O 3.08Å; K375-L413 PolarHBondContact N-O 3.15Å; K375-L414 WeakPolarHBondContact CE-O 3.36Å; K375-R415 HydrophobicContact CG-CG 4.48Å | ||
| 376 | S | 97.5 | Very high | 97.9 | Very high | 64 Ų | 64 | 29.8 Ų | 29.8 | 45% | 0.448 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -121.3 | 131.6 | -176.5 | -168.3 | 0 | 0 | 0 | 0 | 110.3 | H63 G64 | H63-S376 VanDerWaalsContact C-OG 3.23Å; H63-S376 WeakPolarHBondContact CA-OG 3.47Å; H63-S376 WeakPolarHBondContact O-CB 3.13Å; H63-S376 PolarHBondContact O-OG 2.89Å; G64-S376 CarbonylContact O-C 3.23Å |
| 377 | G | 97.3 | Very high | 97.9 | Very high | 48 Ų | 48 | 29.8 Ų | 29.8 | 50% | 0.495 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 69.9 | 33.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K62 G64 | K62-G377 WeakPolarHBondContact O-CA 3.35Å; K62-G377 PolarHBondContact O-N 3.11Å; G64-G377 PolarHBondContact O-N 3.26Å |
| 378 | V | 97.8 | Very high | 97.9 | Very high | 47 Ų | 47 | 29.8 Ų | 29.8 | 29% | 0.285 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.7 | -177.5 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | G64 V65 H66 K375 V380 | G64-V378 PolarHBondContact O-N 3.22Å; V65-V378 CarbonylContact C-O 3.57Å; V65-V378 VanDerWaalsContact CA-O 3.27Å; V65-V378 WeakPolarHBondContact CA-O 3.38Å; H66-V378 PolarHBondContact N-O 2.89Å; K375-V378 HydrophobicContact CB-CB 4.34Å; K375-V378 HydrophobicContact CB-CG2 3.77Å; K375-V378 HydrophobicContact CD-CG2 4.24Å; V378-V380 HydrophobicContact CG1-CG1 3.96Å |
| 379 | V | 98.1 | Very high | 97.9 | Very high | 92 Ų | 92 | 29.8 Ų | 29.8 | 56% | 0.558 | 20% | 0.196 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 132 | 168.1 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | H66 A68 | H66-V379 CarbonylContact O-C 3.51Å; H66-V379 VanDerWaalsContact O-CA 3.32Å; H66-V379 WeakPolarHBondContact O-CA 3.34Å; A68-V379 HydrophobicContact CB-CG1 3.4Å |
| 380 | V | 97.4 | Very high | 97.8 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 154.9 | -177.5 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | V65 H66 A67 A68 V378 F383 Y412 L413 | V65-V380 HydrophobicContact CG1-CB 4.27Å; V65-V380 HydrophobicContact CG1-CG1 3.52Å; V65-V380 HydrophobicContact CG1-CG2 3.71Å; H66-V380 WeakPolarHBondContact O-CG2 3.47Å; H66-V380 PolarHBondContact O-N 2.81Å; A67-V380 HydrophobicContact CB-CG2 4.12Å; A68-V380 PolarHBondContact N-O 3.32Å; V378-V380 HydrophobicContact CG1-CG1 3.96Å; V380-F383 HydrophobicContact CG2-CE1 4.41Å; V380-Y412 HydrophobicContact CB-CE2 3.91Å; V380-Y412 HydrophobicContact CG1-CD2 4.18Å; V380-Y412 HydrophobicContact CG1-CE2 3.66Å; V380-L413 HydrophobicContact CB-CD1 4.49Å; V380-L413 HydrophobicContact CG1-CD1 4.09Å; V380-L413 HydrophobicContact CG2-CD1 4.48Å |
| 381 | P | 96.5 | Very high | 97.8 | Very high | 86 Ų | 86 | 30.5 Ų | 30.5 | 56% | 0.558 | 20% | 0.198 | S | C | * | . | trans | -65 | 165.7 | 168.8 | 30 | -35.7 | 0 | 0 | 0 | 111.1 | ||||
| 382 | S | 97.5 | Very high | 97.9 | Very high | 43 Ų | 43 | 29.6 Ų | 29.6 | 30% | 0.301 | 19% | 0.188 | S | C | . | . | trans | -62.6 | 148.7 | 172.1 | -163.6 | 0 | 0 | 0 | 0 | 111.4 | G70 L71 L72 | G70-S382 WeakPolarHBondContact O-CA 3.46Å; G70-S382 VanDerWaalsContact O-CB 3.28Å; G70-S382 WeakPolarHBondContact O-CB 3.33Å; G70-S382 PolarHBondContact O-OG 3.47Å; L71-S382 WeakPolarHBondContact CA-OG 3.45Å; L72-S382 PolarHBondContact N-OG 3.06Å | ||
| 383 | F | 98 | Very high | 98 | Very high | 10 Ų | 10 | 26.9 Ų | 26.9 | 4% | 0.044 | 17% | 0.171 | C | C | . | . | trans | -145.7 | 172.4 | 175.3 | 60.8 | -91.8 | 0 | 0 | 0 | 108.9 | A67 L71 L72 F367 V380 D387 V388 V410 L413 | A67-F383 HydrophobicContact CB-CE1 4.48Å; L71-F383 WeakPolarHBondContact CA-O 3.49Å; L71-F383 WeakPolarHBondContact CB-O 3.38Å; L71-F383 HydrophobicContact CD1-CE2 4.27Å; L71-F383 HydrophobicContact CD1-CZ 4.44Å; L71-F383 HydrophobicContact CD2-CD1 3.86Å; L71-F383 HydrophobicContact CD2-CD2 3.98Å; L71-F383 HydrophobicContact CD2-CE1 3.45Å; L71-F383 VanDerWaalsContact CD2-CE1 3.45Å; L71-F383 HydrophobicContact CD2-CE2 3.59Å; L71-F383 HydrophobicContact CD2-CG 4.11Å; L71-F383 HydrophobicContact CD2-CZ 3.3Å; L72-F383 PolarHBondContact N-O 3.47Å; F367-F383 HydrophobicContact CD1-CE1 4.05Å; F367-F383 AromaticContact CD1-CZ 3.91Å; F367-F383 HydrophobicContact CD1-CZ 3.91Å; F367-F383 AromaticContact CD2-CZ 3.98Å; F367-F383 HydrophobicContact CD2-CZ 3.98Å; F367-F383 HydrophobicContact CE1-CE1 4.05Å; F367-F383 AromaticContact CE1-CZ 3.76Å; F367-F383 HydrophobicContact CE1-CZ 3.76Å; F367-F383 AromaticContact CE2-CZ 3.8Å; F367-F383 HydrophobicContact CE2-CZ 3.8Å; F367-F383 HydrophobicContact CG-CE1 4.44Å; F367-F383 HydrophobicContact CG-CZ 4.02Å; F367-F383 HydrophobicContact CZ-CE1 4.43Å; F367-F383 AromaticContact CZ-CZ 3.7Å; F367-F383 HydrophobicContact CZ-CZ 3.7Å; V380-F383 HydrophobicContact CG2-CE1 4.41Å; F383-D387 HydrophobicContact CD2-CB 4Å; F383-V388 HydrophobicContact CE2-CG2 4.07Å; F383-V410 HydrophobicContact CD2-CG1 3.54Å; F383-V410 HydrophobicContact CE2-CG1 3.74Å; F383-V410 HydrophobicContact CG-CG1 3.97Å; F383-V410 HydrophobicContact CZ-CG1 4.33Å; F383-L413 HydrophobicContact CE1-CD2 3.99Å; F383-L413 HydrophobicContact CZ-CD2 3.99Å | ||
| 384 | E | 98.2 | Very high | 98 | Very high | 36 Ų | 36 | 26.9 Ų | 26.9 | 17% | 0.168 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -78.8 | 139.7 | -174.2 | -69.7 | 169.8 | -140.8 | 0 | 0 | 111.7 | L72 Y91 V386 D387 R409 | L72-E384 HydrophobicContact CB-CG 4.39Å; L72-E384 HydrophobicContact CD2-CG 4.08Å; L72-E384 HydrophobicContact CG-CG 4.5Å; L72-E384 CarbonylContact O-C 3.6Å; L72-E384 VanDerWaalsContact O-CA 3.28Å; L72-E384 WeakPolarHBondContact O-CA 3.36Å; Y91-E384 PolarHBondContact OH-OE2 3.45Å; E384-V386 HydrophobicContact CB-CG2 3.86Å; E384-V386 PolarHBondContact O-N 3.09Å; E384-D387 PolarHBondContact N-OD2 2.96Å; E384-D387 VanDerWaalsContact O-CB 3.23Å; E384-D387 WeakPolarHBondContact O-CB 3.32Å; E384-D387 PolarHBondContact O-N 3.5Å; E384-R409 VanDerWaalsContact CD-NH2 3.32Å; E384-R409 IonicContact OE1-CZ 3.74Å; E384-R409 IonicContact OE1-NE 3.1Å; E384-R409 IonicContact OE1-NH1 2.67Å; E384-R409 PolarHBondContact OE1-NH1 2.98Å; E384-R409 IonicContact OE1-NH2 2.8Å; E384-R409 IonicContact OE2-CZ 3.32Å; E384-R409 IonicContact OE2-NH1 3.27Å; E384-R409 IonicContact OE2-NH2 2.66Å; E384-R409 PolarHBondContact OE2-NH2 2.89Å |
| 385 | N | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -28.3 | -179.4 | 72 | -19.5 | 0 | 0 | 0 | 112.7 | L71 L72 N74 N82 I86 D387 V388 | L71-N385 HydrophobicContact CB-CB 4.48Å; L71-N385 HydrophobicContact CD1-CB 4.09Å; L72-N385 PolarHBondContact O-N 3.33Å; N74-N385 PolarHBondContact OD1-OD1 2.99Å; N82-N385 PolarHBondContact OD1-ND2 3.14Å; I86-N385 HydrophobicContact CG1-CB 4.22Å; N385-D387 PolarHBondContact O-N 3Å; N385-V388 VanDerWaalsContact O-CB 3.24Å; N385-V388 WeakPolarHBondContact O-CB 3.36Å; N385-V388 VanDerWaalsContact O-CG2 3.3Å; N385-V388 WeakPolarHBondContact O-CG2 3.34Å; N385-V388 PolarHBondContact O-N 3.43Å; N385-V388 VanDerWaalsContact O-N 3.12Å |
| 386 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.2 | 171.8 | -70.1 | 0 | 0 | 0 | 0 | 113 | N74 L90 Y91 E384 V388 Y389 | N74-V386 WeakPolarHBondContact OD1-CG1 3.36Å; L90-V386 WeakPolarHBondContact O-CG1 3.47Å; Y91-V386 HydrophobicContact CD1-CG1 4.1Å; Y91-V386 HydrophobicContact CE1-CG1 4.16Å; Y91-V386 HydrophobicContact CE1-CG2 3.79Å; E384-V386 HydrophobicContact CB-CG2 3.86Å; E384-V386 PolarHBondContact O-N 3.09Å; V386-V388 PolarHBondContact O-N 2.9Å; V386-Y389 VanDerWaalsContact O-CB 3.29Å; V386-Y389 WeakPolarHBondContact O-CB 3.38Å; V386-Y389 PolarHBondContact O-N 3.34Å |
| 387 | D | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.4 | -20 | 175.5 | -58.3 | -30.4 | 0 | 0 | 0 | 112.7 | F383 E384 N385 Y389 E390 L391 G405 S406 R409 V410 | F383-D387 HydrophobicContact CD2-CB 4Å; E384-D387 PolarHBondContact N-OD2 2.96Å; E384-D387 VanDerWaalsContact O-CB 3.23Å; E384-D387 WeakPolarHBondContact O-CB 3.32Å; E384-D387 PolarHBondContact O-N 3.5Å; N385-D387 PolarHBondContact O-N 3Å; D387-Y389 PolarHBondContact O-N 2.83Å; D387-E390 PolarHBondContact O-N 2.83Å; D387-L391 PolarHBondContact O-N 3.03Å; D387-G405 WeakPolarHBondContact OD1-CA 3.44Å; D387-S406 PolarHBondContact OD1-N 2.89Å; D387-R409 VanDerWaalsContact CG-NE 3.31Å; D387-R409 IonicContact OD1-CZ 3.47Å; D387-R409 VanDerWaalsContact OD1-CZ 3.28Å; D387-R409 IonicContact OD1-NE 3.57Å; D387-R409 PolarHBondContact OD1-NE 2.58Å; D387-R409 VanDerWaalsContact OD1-NE 3.1Å; D387-R409 IonicContact OD1-NH2 3.14Å; D387-R409 PolarHBondContact OD1-NH2 3.12Å; D387-R409 WeakPolarHBondContact OD2-CB 3.42Å; D387-R409 WeakPolarHBondContact OD2-CD 3.37Å; D387-R409 IonicContact OD2-CZ 3.98Å; D387-R409 IonicContact OD2-NE 2.67Å; D387-R409 PolarHBondContact OD2-NE 2.78Å; D387-R409 IonicContact OD2-NH2 3.36Å; D387-V410 HydrophobicContact CB-CG1 3.46Å; D387-V410 VanDerWaalsContact CB-CG1 3.46Å; D387-V410 HydrophobicContact CB-CG2 4.28Å |
| 388 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.5 | -31.3 | 174.3 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | L37 L71 I86 I244 F367 F383 N385 V386 L391 I392 | L37-V388 HydrophobicContact CD1-CG1 4.46Å; L71-V388 HydrophobicContact CD1-CG2 4.21Å; I86-V388 HydrophobicContact CG2-CB 4.3Å; I86-V388 HydrophobicContact CG2-CG1 4.07Å; I244-V388 HydrophobicContact CD1-CG1 4.3Å; F367-V388 HydrophobicContact CE2-CG2 4.16Å; F383-V388 HydrophobicContact CE2-CG2 4.07Å; N385-V388 VanDerWaalsContact O-CB 3.24Å; N385-V388 WeakPolarHBondContact O-CB 3.36Å; N385-V388 VanDerWaalsContact O-CG2 3.3Å; N385-V388 WeakPolarHBondContact O-CG2 3.34Å; N385-V388 PolarHBondContact O-N 3.43Å; N385-V388 VanDerWaalsContact O-N 3.12Å; V386-V388 PolarHBondContact O-N 2.9Å; V388-L391 WeakPolarHBondContact O-CB 3.31Å; V388-L391 PolarHBondContact O-N 3.36Å; V388-I392 HydrophobicContact CG1-CD1 3.77Å; V388-I392 HydrophobicContact CG1-CG1 4.24Å; V388-I392 VanDerWaalsContact O-CG1 3.29Å; V388-I392 WeakPolarHBondContact O-CG1 3.07Å; V388-I392 PolarHBondContact O-N 3.06Å |
| 389 | Y | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.8 | -50.6 | 174.2 | 178.1 | -94.8 | 0 | 0 | 0 | 112.3 | T88 L130 L133 V386 D387 L391 I392 C393 P400 K401 N403 | T88-Y389 WeakPolarHBondContact O-CE2 3.3Å; L130-Y389 HydrophobicContact CD1-CD2 4.1Å; L130-Y389 HydrophobicContact CD2-CD2 3.7Å; L130-Y389 HydrophobicContact CD2-CE2 3.61Å; L130-Y389 HydrophobicContact CG-CD2 3.66Å; L130-Y389 HydrophobicContact CG-CE2 3.77Å; L133-Y389 WeakPolarHBondContact CD2-OH 3.27Å; V386-Y389 VanDerWaalsContact O-CB 3.29Å; V386-Y389 WeakPolarHBondContact O-CB 3.38Å; V386-Y389 PolarHBondContact O-N 3.34Å; D387-Y389 PolarHBondContact O-N 2.83Å; Y389-L391 VanDerWaalsContact C-N 3.33Å; Y389-L391 PolarHBondContact O-N 2.85Å; Y389-I392 PolarHBondContact O-N 3.15Å; Y389-C393 WeakPolarHBondContact O-CB 3.25Å; Y389-C393 PolarHBondContact O-N 2.71Å; Y389-C393 PolarHBondContact O-SG 3.12Å; Y389-C393 VanDerWaalsContact O-SG 3.35Å; Y389-P400 HydrophobicContact CE1-CB 3.78Å; Y389-K401 PolarHBondContact OH-N 3Å; Y389-K401 VanDerWaalsContact OH-N 3.17Å; Y389-N403 HydrophobicContact CD1-CB 4.07Å; Y389-N403 HydrophobicContact CE1-CB 3.98Å |
| 390 | E | 98.5 | Very high | 97.7 | Very high | 31 Ų | 31 | 25.6 Ų | 25.6 | 15% | 0.145 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.6 | -39.5 | 178.4 | -78.6 | -68.7 | 166.4 | 0 | 0 | 111.6 | D387 C393 H394 N403 F407 | D387-E390 PolarHBondContact O-N 2.83Å; E390-C393 PolarHBondContact O-N 2.86Å; E390-H394 WeakPolarHBondContact O-CB 3.2Å; E390-H394 PolarHBondContact O-N 3.14Å; E390-N403 PolarHBondContact OE1-ND2 3.12Å; E390-F407 HydrophobicContact CB-CB 4.02Å; E390-F407 HydrophobicContact CB-CD2 4.35Å; E390-F407 HydrophobicContact CG-CB 4.35Å |
| 391 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -47.3 | 174.7 | -179.7 | 64 | 0 | 0 | 0 | 111.9 | I244 F367 F374 D387 V388 Y389 H394 I395 V410 L413 L414 | I244-L391 HydrophobicContact CD1-CD2 4Å; I244-L391 HydrophobicContact CD1-CG 4.48Å; F367-L391 HydrophobicContact CZ-CD2 4.18Å; F374-L391 HydrophobicContact CE1-CD1 3.96Å; F374-L391 HydrophobicContact CE1-CD2 3.81Å; F374-L391 HydrophobicContact CE1-CG 4.2Å; F374-L391 HydrophobicContact CZ-CD1 4.47Å; F374-L391 HydrophobicContact CZ-CD2 4.05Å; F374-L391 HydrophobicContact CZ-CG 4.35Å; D387-L391 PolarHBondContact O-N 3.03Å; V388-L391 WeakPolarHBondContact O-CB 3.31Å; V388-L391 PolarHBondContact O-N 3.36Å; Y389-L391 VanDerWaalsContact C-N 3.33Å; Y389-L391 PolarHBondContact O-N 2.85Å; L391-H394 PolarHBondContact O-N 3.39Å; L391-I395 HydrophobicContact CD1-CD1 4.03Å; L391-I395 HydrophobicContact CG-CD1 4Å; L391-I395 VanDerWaalsContact O-CG1 3.3Å; L391-I395 WeakPolarHBondContact O-CG1 3.11Å; L391-I395 PolarHBondContact O-N 2.84Å; L391-V410 HydrophobicContact CB-CG2 4.13Å; L391-L413 HydrophobicContact CD2-CD2 4.03Å; L391-L414 HydrophobicContact CD1-CD1 4.28Å; L391-L414 HydrophobicContact CD1-CD2 3.71Å; L391-L414 HydrophobicContact CD1-CG 4.02Å |
| 392 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.1 | -44.1 | 177.9 | -67.9 | 168.7 | 0 | 0 | 0 | 110.5 | L35 L37 L130 F192 I244 V388 Y389 H394 I395 L396 | L35-I392 HydrophobicContact CD1-CB 4.37Å; L35-I392 HydrophobicContact CD1-CG1 3.94Å; L35-I392 HydrophobicContact CD1-CG2 4.2Å; L35-I392 HydrophobicContact CD2-CD1 4.2Å; L35-I392 HydrophobicContact CD2-CG1 3.99Å; L35-I392 HydrophobicContact CD2-CG2 4.16Å; L37-I392 HydrophobicContact CD2-CD1 3.94Å; L130-I392 HydrophobicContact CD1-CB 3.99Å; L130-I392 HydrophobicContact CD1-CD1 3.65Å; L130-I392 HydrophobicContact CD1-CG1 4.43Å; L130-I392 HydrophobicContact CD1-CG2 3.81Å; L130-I392 HydrophobicContact CD2-CB 4.41Å; L130-I392 HydrophobicContact CD2-CG2 3.99Å; L130-I392 HydrophobicContact CG-CG2 4.48Å; F192-I392 HydrophobicContact CE2-CG2 4.17Å; F192-I392 HydrophobicContact CZ-CG2 4.5Å; I244-I392 HydrophobicContact CD1-CD1 4.32Å; I244-I392 HydrophobicContact CD1-CG1 3.8Å; V388-I392 HydrophobicContact CG1-CD1 3.77Å; V388-I392 HydrophobicContact CG1-CG1 4.24Å; V388-I392 VanDerWaalsContact O-CG1 3.29Å; V388-I392 WeakPolarHBondContact O-CG1 3.07Å; V388-I392 PolarHBondContact O-N 3.06Å; Y389-I392 PolarHBondContact O-N 3.15Å; I392-H394 VanDerWaalsContact C-N 3.27Å; I392-H394 PolarHBondContact O-N 3.42Å; I392-I395 PolarHBondContact O-N 2.81Å; I392-L396 HydrophobicContact CG2-CD1 3.59Å; I392-L396 HydrophobicContact CG2-CG 4.1Å; I392-L396 WeakPolarHBondContact O-CB 3.26Å; I392-L396 PolarHBondContact O-N 2.95Å |
| 393 | C | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.2 | -43.4 | 175.6 | -77 | 0 | 0 | 0 | 0 | 111.5 | Y389 E390 D397 L398 P400 | Y389-C393 WeakPolarHBondContact O-CB 3.25Å; Y389-C393 PolarHBondContact O-N 2.71Å; Y389-C393 PolarHBondContact O-SG 3.12Å; Y389-C393 VanDerWaalsContact O-SG 3.35Å; E390-C393 PolarHBondContact O-N 2.86Å; C393-D397 PolarHBondContact O-N 3.48Å; C393-D397 VanDerWaalsContact O-N 3.15Å; C393-L398 HydrophobicContact CB-CB 4.14Å; C393-L398 PolarHBondContact O-N 2.87Å; C393-P400 HydrophobicContact CB-CB 4.16Å |
| 394 | H | 97.2 | Very high | 97.9 | Very high | 28 Ų | 28 | 32.7 Ų | 32.7 | 13% | 0.13 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.9 | -51.4 | 176.1 | -173.5 | 95 | 0 | 0 | 0 | 112.3 | E390 L391 I392 L396 D397 F407 L414 G418 K420 | E390-H394 WeakPolarHBondContact O-CB 3.2Å; E390-H394 PolarHBondContact O-N 3.14Å; L391-H394 PolarHBondContact O-N 3.39Å; I392-H394 VanDerWaalsContact C-N 3.27Å; I392-H394 PolarHBondContact O-N 3.42Å; H394-L396 VanDerWaalsContact C-N 3.33Å; H394-L396 PolarHBondContact O-N 3.14Å; H394-D397 PolarHBondContact O-N 2.99Å; H394-D397 VanDerWaalsContact O-N 3.15Å; H394-F407 HydrophobicContact CB-CD2 4.17Å; H394-F407 HydrophobicContact CB-CE2 3.5Å; H394-F407 HydrophobicContact CB-CZ 4Å; H394-F407 AromaticContact CE1-CZ 3.58Å; H394-F407 AromaticContact CG-CE2 3.54Å; H394-F407 AromaticContact CG-CZ 3.49Å; H394-F407 VanDerWaalsContact CG-CZ 3.49Å; H394-F407 AromaticContact ND1-CE1 3.73Å; H394-F407 AromaticContact ND1-CE2 3.62Å; H394-F407 AromaticContact ND1-CZ 3.13Å; H394-F407 WeakPolarHBondContact ND1-CZ 3.34Å; H394-L414 WeakPolarHBondContact CD2-CD1 3.41Å; H394-G418 PolarHBondContact CE1-O 2.89Å; H394-G418 VanDerWaalsContact CE1-O 3.3Å; H394-K420 VanDerWaalsContact CE1-CG 3.49Å; H394-K420 WeakPolarHBondContact CE1-CG 3.38Å |
| 395 | I | 97.3 | Very high | 97.9 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 7% | 0.072 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -40.9 | -176.5 | -67.3 | 165.5 | 0 | 0 | 0 | 111.3 | P33 L35 N242 A373 F374 L391 I392 D397 L414 | P33-I395 WeakPolarHBondContact CB-O 3.33Å; P33-I395 VanDerWaalsContact CG-O 3.22Å; P33-I395 WeakPolarHBondContact CG-O 3.38Å; L35-I395 HydrophobicContact CD1-CB 4.02Å; L35-I395 HydrophobicContact CD1-CD1 3.9Å; L35-I395 HydrophobicContact CD1-CG2 3.82Å; N242-I395 HydrophobicContact CB-CG2 4.12Å; N242-I395 WeakPolarHBondContact ND2-CG2 3.31Å; A373-I395 HydrophobicContact CB-CD1 4.28Å; A373-I395 HydrophobicContact CB-CG1 3.94Å; A373-I395 HydrophobicContact CB-CG2 4.3Å; F374-I395 HydrophobicContact CE1-CD1 3.99Å; F374-I395 HydrophobicContact CE2-CD1 3.79Å; F374-I395 HydrophobicContact CZ-CD1 3.33Å; L391-I395 HydrophobicContact CD1-CD1 4.03Å; L391-I395 HydrophobicContact CG-CD1 4Å; L391-I395 VanDerWaalsContact O-CG1 3.3Å; L391-I395 WeakPolarHBondContact O-CG1 3.11Å; L391-I395 PolarHBondContact O-N 2.84Å; I392-I395 PolarHBondContact O-N 2.81Å; I395-D397 VanDerWaalsContact C-N 3.25Å; I395-D397 PolarHBondContact O-N 3.16Å; I395-L414 HydrophobicContact CD1-CD2 4.16Å; I395-L414 HydrophobicContact CG1-CD2 4.04Å |
| 396 | L | 96.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -1.5 | -179.9 | -69.5 | -177.6 | 0 | 0 | 0 | 113.5 | P33 L35 R141 F192 I392 H394 L398 | P33-L396 HydrophobicContact CB-CD2 4.37Å; P33-L396 HydrophobicContact CG-CD2 4.28Å; L35-L396 HydrophobicContact CB-CD1 4.44Å; L35-L396 HydrophobicContact CB-CD2 3.7Å; L35-L396 HydrophobicContact CB-CG 4.12Å; R141-L396 PolarHBondContact NH2-O 2.81Å; F192-L396 HydrophobicContact CB-CD1 3.81Å; F192-L396 HydrophobicContact CD1-CD1 4.46Å; F192-L396 HydrophobicContact CD2-CD1 3.81Å; F192-L396 HydrophobicContact CG-CD1 3.77Å; I392-L396 HydrophobicContact CG2-CD1 3.59Å; I392-L396 HydrophobicContact CG2-CG 4.1Å; I392-L396 WeakPolarHBondContact O-CB 3.26Å; I392-L396 PolarHBondContact O-N 2.95Å; H394-L396 VanDerWaalsContact C-N 3.33Å; H394-L396 PolarHBondContact O-N 3.14Å; L396-L398 HydrophobicContact CB-CD1 3.93Å; L396-L398 HydrophobicContact CB-CD2 4.46Å; L396-L398 HydrophobicContact CB-CG 3.78Å; L396-L398 HydrophobicContact CD1-CD1 4.13Å |
| 397 | D | 94.9 | Very high | 97.8 | Very high | 79 Ų | 79 | 35.2 Ų | 35.2 | 42% | 0.422 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 58.5 | -171.5 | -166.6 | 36.4 | 0 | 0 | 0 | 112.1 | R141 C393 H394 I395 K420 | R141-D397 PolarHBondContact NH1-O 2.98Å; R141-D397 PolarHBondContact NH2-O 3.35Å; R141-D397 VanDerWaalsContact NH2-O 3.09Å; C393-D397 PolarHBondContact O-N 3.48Å; C393-D397 VanDerWaalsContact O-N 3.15Å; H394-D397 PolarHBondContact O-N 2.99Å; H394-D397 VanDerWaalsContact O-N 3.15Å; I395-D397 VanDerWaalsContact C-N 3.25Å; I395-D397 PolarHBondContact O-N 3.16Å; D397-K420 IonicContact OD1-NZ 2.9Å; D397-K420 PolarHBondContact OD1-NZ 2.98Å |
| 398 | L | 96.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | trans | -103.5 | 152.2 | 171.7 | -53.5 | 175.8 | 0 | 0 | 0 | 109.4 | L130 L133 N134 S137 C393 L396 P400 | L130-L398 HydrophobicContact CD2-CD1 4.21Å; L133-L398 HydrophobicContact CD2-CB 4.19Å; L133-L398 HydrophobicContact CD2-CD1 4.22Å; L133-L398 HydrophobicContact CG-CB 4.38Å; L133-L398 HydrophobicContact CG-CD1 4.24Å; N134-L398 HydrophobicContact CB-CD1 4.37Å; N134-L398 HydrophobicContact CB-CD2 4.43Å; S137-L398 VanDerWaalsContact OG-CD2 3.23Å; S137-L398 WeakPolarHBondContact OG-CD2 3.29Å; C393-L398 HydrophobicContact CB-CB 4.14Å; C393-L398 PolarHBondContact O-N 2.87Å; L396-L398 HydrophobicContact CB-CD1 3.93Å; L396-L398 HydrophobicContact CB-CD2 4.46Å; L396-L398 HydrophobicContact CB-CG 3.78Å; L396-L398 HydrophobicContact CD1-CD1 4.13Å; L398-P400 WeakPolarHBondContact O-CD 3.45Å | ||
| 399 | E | 96.8 | Very high | 97.7 | Very high | 154 Ų | 154 | 44.8 Ų | 44.8 | 72% | 0.72 | 24% | 0.239 | S | C | * | . | trans | -88.1 | 110.5 | 165.1 | -169.8 | 81.3 | 177.2 | 0 | 0 | 106.9 | ||||
| 400 | P | 97.9 | Very high | 97.6 | Very high | 46 Ų | 46 | 44.8 Ų | 44.8 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -61.7 | 144.2 | -178.7 | 25.6 | -33.2 | 0 | 0 | 0 | 110.7 | Y389 C393 L398 | Y389-P400 HydrophobicContact CE1-CB 3.78Å; C393-P400 HydrophobicContact CB-CB 4.16Å; L398-P400 WeakPolarHBondContact O-CD 3.45Å |
| 401 | K | 97.8 | Very high | 97.6 | Very high | 105 Ų | 105 | 46.4 Ų | 46.4 | 46% | 0.457 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -74.9 | 168.3 | 166.7 | -63.2 | -56.6 | -172.3 | -174.6 | 0 | 109.8 | E128 L133 Y389 N403 | E128-K401 HydrophobicContact CB-CG 4.42Å; E128-K401 WeakPolarHBondContact OE1-CE 3.35Å; E128-K401 IonicContact OE1-NZ 3.88Å; L133-K401 HydrophobicContact CD1-CG 4.41Å; Y389-K401 PolarHBondContact OH-N 3Å; Y389-K401 VanDerWaalsContact OH-N 3.17Å; K401-N403 PolarHBondContact O-N 3.05Å; K401-N403 VanDerWaalsContact O-N 3.14Å; K401-N403 PolarHBondContact O-ND2 3.2Å |
| 402 | A | 98 | Very high | 97.4 | Very high | 103 Ų | 103 | 50.1 Ų | 50.1 | 85% | 0.851 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -55.3 | 122.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 403 | N | 98.5 | Very high | 97.4 | Very high | 35 Ų | 35 | 50.1 Ų | 50.1 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | trans | -148.1 | 171.5 | -173.1 | 74.2 | 90.1 | 0 | 0 | 0 | 110.4 | G89 L90 Y389 E390 K401 G405 | G89-N403 WeakPolarHBondContact O-CB 3.26Å; L90-N403 HydrophobicContact CD2-CB 4.42Å; Y389-N403 HydrophobicContact CD1-CB 4.07Å; Y389-N403 HydrophobicContact CE1-CB 3.98Å; E390-N403 PolarHBondContact OE1-ND2 3.12Å; K401-N403 PolarHBondContact O-N 3.05Å; K401-N403 VanDerWaalsContact O-N 3.14Å; K401-N403 PolarHBondContact O-ND2 3.2Å; N403-G405 VanDerWaalsContact OD1-CA 3.28Å; N403-G405 WeakPolarHBondContact OD1-CA 3.3Å; N403-G405 PolarHBondContact OD1-N 3.45Å; N403-G405 PolarHBondContact OD1-O 3.17Å | ||
| 404 | N | 98.4 | Very high | 97.4 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -95.3 | -8.6 | -179.9 | -60.2 | 116.5 | 0 | 0 | 0 | 113.7 | G89 L90 Y91 S94 | G89-N404 WeakPolarHBondContact O-CA 3.18Å; G89-N404 WeakPolarHBondContact O-CB 3.33Å; G89-N404 PolarHBondContact O-N 3.23Å; L90-N404 VanDerWaalsContact CA-OD1 3.28Å; L90-N404 WeakPolarHBondContact CA-OD1 3.46Å; Y91-N404 HydrophobicContact CD1-CB 4.47Å; Y91-N404 HydrophobicContact CD2-CB 3.52Å; Y91-N404 HydrophobicContact CE1-CB 4.41Å; Y91-N404 HydrophobicContact CE2-CB 3.48Å; Y91-N404 VanDerWaalsContact CE2-CB 3.48Å; Y91-N404 HydrophobicContact CG-CB 4.04Å; Y91-N404 PolarHBondContact N-OD1 3.47Å; S94-N404 PolarHBondContact OG-OD1 3.31Å |
| 405 | G | 98 | Very high | 97.3 | Very high | 14 Ų | 14 | 56 Ų | 56 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | trans | -72.1 | 167.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G89 D387 N403 | G89-G405 PolarHBondContact O-N 2.88Å; D387-G405 WeakPolarHBondContact OD1-CA 3.44Å; N403-G405 VanDerWaalsContact OD1-CA 3.28Å; N403-G405 WeakPolarHBondContact OD1-CA 3.3Å; N403-G405 PolarHBondContact OD1-N 3.45Å; N403-G405 PolarHBondContact OD1-O 3.17Å | ||
| 406 | S | 98 | Very high | 97 | Very high | 36 Ų | 36 | 58.7 Ų | 58.7 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | trans | -137.7 | 112.1 | -180 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | D387 E408 R409 | D387-S406 PolarHBondContact OD1-N 2.89Å; S406-E408 PolarHBondContact O-N 3.47Å; S406-R409 PolarHBondContact O-N 3.33Å; S406-R409 VanDerWaalsContact O-N 3.11Å | ||
| 407 | F | 97.8 | Very high | 96.5 | Very high | 39 Ų | 39 | 60.4 Ų | 60.4 | 17% | 0.171 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -59.8 | -30.3 | 175.2 | -173.2 | -117.3 | 0 | 0 | 0 | 112.7 | E390 H394 R409 V410 K411 L414 | E390-F407 HydrophobicContact CB-CB 4.02Å; E390-F407 HydrophobicContact CB-CD2 4.35Å; E390-F407 HydrophobicContact CG-CB 4.35Å; H394-F407 HydrophobicContact CB-CD2 4.17Å; H394-F407 HydrophobicContact CB-CE2 3.5Å; H394-F407 HydrophobicContact CB-CZ 4Å; H394-F407 AromaticContact CE1-CZ 3.58Å; H394-F407 AromaticContact CG-CE2 3.54Å; H394-F407 AromaticContact CG-CZ 3.49Å; H394-F407 VanDerWaalsContact CG-CZ 3.49Å; H394-F407 AromaticContact ND1-CE1 3.73Å; H394-F407 AromaticContact ND1-CE2 3.62Å; H394-F407 AromaticContact ND1-CZ 3.13Å; H394-F407 WeakPolarHBondContact ND1-CZ 3.34Å; F407-R409 PolarHBondContact O-N 3.44Å; F407-V410 HydrophobicContact CD2-CG2 4.06Å; F407-V410 WeakPolarHBondContact O-CG2 2.89Å; F407-V410 PolarHBondContact O-N 2.8Å; F407-K411 HydrophobicContact CD1-CB 4.07Å; F407-K411 HydrophobicContact CE1-CB 3.6Å; F407-K411 HydrophobicContact CE2-CB 4.16Å; F407-K411 HydrophobicContact CZ-CB 3.63Å; F407-K411 WeakPolarHBondContact O-CB 3.2Å; F407-K411 PolarHBondContact O-N 3.31Å; F407-L414 HydrophobicContact CE2-CD1 3.95Å; F407-L414 HydrophobicContact CZ-CD1 3.88Å |
| 408 | E | 97.4 | Very high | 95.8 | Very high | 121 Ų | 121 | 57.4 Ų | 57.4 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -62 | -30.7 | 178.6 | -70.6 | -65.5 | 116.1 | 0 | 0 | 112.5 | S406 V410 K411 | S406-E408 PolarHBondContact O-N 3.47Å; E408-V410 VanDerWaalsContact C-N 3.31Å; E408-V410 PolarHBondContact O-N 3.07Å; E408-K411 WeakPolarHBondContact OE1-CE 3.17Å; E408-K411 IonicContact OE1-NZ 2.77Å; E408-K411 PolarHBondContact OE1-NZ 2.82Å; E408-K411 VanDerWaalsContact OE2-CE 3.28Å; E408-K411 WeakPolarHBondContact OE2-CE 3.27Å; E408-K411 IonicContact OE2-NZ 2.59Å; E408-K411 PolarHBondContact OE2-NZ 2.73Å |
| 409 | R | 97.2 | Very high | 95 | Very high | 81 Ų | 81 | 62.1 Ų | 62.1 | 31% | 0.306 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -75.9 | -14.3 | 176.3 | -69.4 | -169.5 | -66.9 | -124.2 | -0.4 | 113.7 | E384 D387 S406 F407 Y412 | E384-R409 VanDerWaalsContact CD-NH2 3.32Å; E384-R409 IonicContact OE1-CZ 3.74Å; E384-R409 IonicContact OE1-NE 3.1Å; E384-R409 IonicContact OE1-NH1 2.67Å; E384-R409 PolarHBondContact OE1-NH1 2.98Å; E384-R409 IonicContact OE1-NH2 2.8Å; E384-R409 IonicContact OE2-CZ 3.32Å; E384-R409 IonicContact OE2-NH1 3.27Å; E384-R409 IonicContact OE2-NH2 2.66Å; E384-R409 PolarHBondContact OE2-NH2 2.89Å; D387-R409 VanDerWaalsContact CG-NE 3.31Å; D387-R409 IonicContact OD1-CZ 3.47Å; D387-R409 VanDerWaalsContact OD1-CZ 3.28Å; D387-R409 IonicContact OD1-NE 3.57Å; D387-R409 PolarHBondContact OD1-NE 2.58Å; D387-R409 VanDerWaalsContact OD1-NE 3.1Å; D387-R409 IonicContact OD1-NH2 3.14Å; D387-R409 PolarHBondContact OD1-NH2 3.12Å; D387-R409 WeakPolarHBondContact OD2-CB 3.42Å; D387-R409 WeakPolarHBondContact OD2-CD 3.37Å; D387-R409 IonicContact OD2-CZ 3.98Å; D387-R409 IonicContact OD2-NE 2.67Å; D387-R409 PolarHBondContact OD2-NE 2.78Å; D387-R409 IonicContact OD2-NH2 3.36Å; S406-R409 PolarHBondContact O-N 3.33Å; S406-R409 VanDerWaalsContact O-N 3.11Å; F407-R409 PolarHBondContact O-N 3.44Å; R409-Y412 WeakPolarHBondContact O-CE1 3.47Å; R409-Y412 PolarHBondContact O-OH 3.32Å |
| 410 | V | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -13.5 | -173.1 | -69.4 | 0 | 0 | 0 | 0 | 115.2 | F383 D387 L391 F407 E408 Y412 L413 | F383-V410 HydrophobicContact CD2-CG1 3.54Å; F383-V410 HydrophobicContact CE2-CG1 3.74Å; F383-V410 HydrophobicContact CG-CG1 3.97Å; F383-V410 HydrophobicContact CZ-CG1 4.33Å; D387-V410 HydrophobicContact CB-CG1 3.46Å; D387-V410 VanDerWaalsContact CB-CG1 3.46Å; D387-V410 HydrophobicContact CB-CG2 4.28Å; L391-V410 HydrophobicContact CB-CG2 4.13Å; F407-V410 HydrophobicContact CD2-CG2 4.06Å; F407-V410 WeakPolarHBondContact O-CG2 2.89Å; F407-V410 PolarHBondContact O-N 2.8Å; E408-V410 VanDerWaalsContact C-N 3.31Å; E408-V410 PolarHBondContact O-N 3.07Å; V410-Y412 PolarHBondContact O-N 2.78Å; V410-L413 HydrophobicContact CB-CD2 4.21Å; V410-L413 HydrophobicContact CG1-CD2 4.31Å; V410-L413 VanDerWaalsContact O-CB 3.26Å; V410-L413 WeakPolarHBondContact O-CB 3.46Å; V410-L413 WeakPolarHBondContact O-CD1 3.09Å; V410-L413 PolarHBondContact O-N 3.15Å |
| 411 | K | 96.8 | Very high | 91.5 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -57.8 | -26.4 | -177.3 | 67.3 | 179 | 176.2 | -171.4 | 0 | 114.4 | F407 E408 L413 L414 G417 | F407-K411 HydrophobicContact CD1-CB 4.07Å; F407-K411 HydrophobicContact CE1-CB 3.6Å; F407-K411 HydrophobicContact CE2-CB 4.16Å; F407-K411 HydrophobicContact CZ-CB 3.63Å; F407-K411 WeakPolarHBondContact O-CB 3.2Å; F407-K411 PolarHBondContact O-N 3.31Å; E408-K411 WeakPolarHBondContact OE1-CE 3.17Å; E408-K411 IonicContact OE1-NZ 2.77Å; E408-K411 PolarHBondContact OE1-NZ 2.82Å; E408-K411 VanDerWaalsContact OE2-CE 3.28Å; E408-K411 WeakPolarHBondContact OE2-CE 3.27Å; E408-K411 IonicContact OE2-NZ 2.59Å; E408-K411 PolarHBondContact OE2-NZ 2.73Å; K411-L413 PolarHBondContact O-N 2.94Å; K411-L414 WeakPolarHBondContact O-CB 3.24Å; K411-L414 PolarHBondContact O-N 3.08Å; K411-G417 CarbonylContact O-C 3.46Å |
| 412 | Y | 95.6 | Very high | 89 | Confident | 78 Ų | 78 | 66.5 Ų | 66.5 | 31% | 0.306 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -75.2 | -7.9 | 178.7 | 65.8 | -95.6 | 0 | 0 | 0 | 113.6 | K375 V380 R409 V410 | K375-Y412 WeakPolarHBondContact CD-O 3.06Å; K375-Y412 WeakPolarHBondContact CE-O 3.47Å; K375-Y412 PolarHBondContact NZ-O 3.08Å; V380-Y412 HydrophobicContact CB-CE2 3.91Å; V380-Y412 HydrophobicContact CG1-CD2 4.18Å; V380-Y412 HydrophobicContact CG1-CE2 3.66Å; R409-Y412 WeakPolarHBondContact O-CE1 3.47Å; R409-Y412 PolarHBondContact O-OH 3.32Å; V410-Y412 PolarHBondContact O-N 2.78Å |
| 413 | L | 97.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -70.7 | -24.6 | 169.1 | -75.2 | 47.1 | 0 | 0 | 0 | 111 | V65 F367 F374 K375 V380 F383 L391 V410 K411 | V65-L413 HydrophobicContact CG1-CB 4.4Å; V65-L413 HydrophobicContact CG1-CG 3.9Å; F367-L413 HydrophobicContact CE1-CD2 3.99Å; F367-L413 HydrophobicContact CZ-CD2 4.05Å; F374-L413 HydrophobicContact CD1-CB 4.42Å; K375-L413 PolarHBondContact N-O 3.15Å; V380-L413 HydrophobicContact CB-CD1 4.49Å; V380-L413 HydrophobicContact CG1-CD1 4.09Å; V380-L413 HydrophobicContact CG2-CD1 4.48Å; F383-L413 HydrophobicContact CE1-CD2 3.99Å; F383-L413 HydrophobicContact CZ-CD2 3.99Å; L391-L413 HydrophobicContact CD2-CD2 4.03Å; V410-L413 HydrophobicContact CB-CD2 4.21Å; V410-L413 HydrophobicContact CG1-CD2 4.31Å; V410-L413 VanDerWaalsContact O-CB 3.26Å; V410-L413 WeakPolarHBondContact O-CB 3.46Å; V410-L413 WeakPolarHBondContact O-CD1 3.09Å; V410-L413 PolarHBondContact O-N 3.15Å; K411-L413 PolarHBondContact O-N 2.94Å |
| 414 | L | 98.1 | Very high | 83.5 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -88 | 147.3 | -173.2 | -58.5 | 173.9 | 0 | 0 | 0 | 112.5 | A373 F374 K375 L391 H394 I395 F407 K411 D416 G417 | A373-L414 HydrophobicContact CB-CD2 4.05Å; A373-L414 CarbonylContact O-C 3.59Å; A373-L414 VanDerWaalsContact O-CA 3.29Å; A373-L414 WeakPolarHBondContact O-CA 3.37Å; F374-L414 HydrophobicContact CD1-CD2 4.24Å; F374-L414 HydrophobicContact CE1-CD2 4.2Å; K375-L414 WeakPolarHBondContact CE-O 3.36Å; L391-L414 HydrophobicContact CD1-CD1 4.28Å; L391-L414 HydrophobicContact CD1-CD2 3.71Å; L391-L414 HydrophobicContact CD1-CG 4.02Å; H394-L414 WeakPolarHBondContact CD2-CD1 3.41Å; I395-L414 HydrophobicContact CD1-CD2 4.16Å; I395-L414 HydrophobicContact CG1-CD2 4.04Å; F407-L414 HydrophobicContact CE2-CD1 3.95Å; F407-L414 HydrophobicContact CZ-CD1 3.88Å; K411-L414 WeakPolarHBondContact O-CB 3.24Å; K411-L414 PolarHBondContact O-N 3.08Å; L414-D416 VanDerWaalsContact C-N 3.31Å; L414-D416 WeakPolarHBondContact CB-OD1 3.36Å; L414-D416 PolarHBondContact O-N 3.49Å; L414-G417 PolarHBondContact O-N 3.38Å |
| 415 | R | 95.7 | Very high | 80.5 | Confident | 150 Ų | 150 | 77.6 Ų | 77.6 | 57% | 0.566 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -35.8 | -179.6 | -67.4 | -171.5 | -177.4 | 172.9 | 3.5 | 113.2 | G371 P372 A373 F374 K375 G417 | G371-R415 PolarHBondContact O-NH2 2.99Å; P372-R415 WeakPolarHBondContact O-CD 3.15Å; A373-R415 PolarHBondContact O-N 3.32Å; F374-R415 VanDerWaalsContact C-CG 3.49Å; F374-R415 VanDerWaalsContact O-CG 3.22Å; F374-R415 WeakPolarHBondContact O-CG 3.48Å; F374-R415 PolarHBondContact O-NE 2.67Å; F374-R415 PolarHBondContact O-NH2 3.06Å; K375-R415 HydrophobicContact CG-CG 4.48Å; R415-G417 VanDerWaalsContact C-N 3.3Å |
| 416 | D | 90.2 | Very high | 77.6 | Confident | 71 Ų | 71 | 83.6 Ų | 83.6 | 38% | 0.38 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 1.6 | -179.6 | 59.9 | 12.6 | 0 | 0 | 0 | 113.3 | L414 G418 V419 | L414-D416 VanDerWaalsContact C-N 3.31Å; L414-D416 WeakPolarHBondContact CB-OD1 3.36Å; L414-D416 PolarHBondContact O-N 3.49Å; D416-G418 PolarHBondContact O-N 3.39Å; D416-G418 WeakPolarHBondContact OD1-CA 3.49Å; D416-G418 PolarHBondContact OD1-N 3.19Å; D416-V419 PolarHBondContact O-N 2.96Å |
| 417 | G | 86.3 | Confident | 74.5 | Confident | 37 Ų | 37 | 86 Ų | 86 | 38% | 0.381 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 20.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | K411 L414 R415 | K411-G417 CarbonylContact O-C 3.46Å; L414-G417 PolarHBondContact O-N 3.38Å; R415-G417 VanDerWaalsContact C-N 3.3Å |
| 418 | G | 81.3 | Confident | 71.9 | Confident | 16 Ų | 16 | 89.7 Ų | 89.7 | 17% | 0.165 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 12.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | H394 D416 K420 | H394-G418 PolarHBondContact CE1-O 2.89Å; H394-G418 VanDerWaalsContact CE1-O 3.3Å; D416-G418 PolarHBondContact O-N 3.39Å; D416-G418 WeakPolarHBondContact OD1-CA 3.49Å; D416-G418 PolarHBondContact OD1-N 3.19Å; G418-K420 PolarHBondContact O-N 3.33Å |
| 419 | V | 79.9 | Confident | 69.1 | Low | 101 Ų | 101 | 92 Ų | 92 | 61% | 0.612 | 46% | 0.458 | S | S | * | . | trans | -77.6 | 103.2 | 172.1 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | D416 V421 | D416-V419 PolarHBondContact O-N 2.96Å; V419-V421 PolarHBondContact O-N 3.26Å | ||
| 420 | K | 66 | Low | 66.7 | Low | 87 Ų | 87 | 91.1 Ų | 91.1 | 38% | 0.378 | 46% | 0.462 | S | S | . | . | trans | -54.8 | 114.3 | 168.1 | -73.8 | -163.7 | 176 | -165 | 0 | 108 | H394 D397 G418 K422 | H394-K420 VanDerWaalsContact CE1-CG 3.49Å; H394-K420 WeakPolarHBondContact CE1-CG 3.38Å; D397-K420 IonicContact OD1-NZ 2.9Å; D397-K420 PolarHBondContact OD1-NZ 2.98Å; G418-K420 PolarHBondContact O-N 3.33Å; K420-K422 VanDerWaalsContact C-N 3.32Å; K420-K422 PolarHBondContact O-N 2.78Å | ||
| 421 | V | 55.6 | Low | 64 | Low | 118 Ų | 118 | 96.1 Ų | 96.1 | 72% | 0.715 | 49% | 0.485 | S | S | * | . | trans | -58.9 | 105.1 | 166.2 | 179.3 | 0 | 0 | 0 | 0 | 104.7 | V419 N423 | V419-V421 PolarHBondContact O-N 3.26Å; V421-N423 PolarHBondContact O-N 3.26Å | ||
| 422 | K | 45.4 | Very low | 61.8 | Low | 192 Ų | 192 | 97.3 Ų | 97.3 | 84% | 0.835 | 50% | 0.498 | S | S | * | . | trans | -51.9 | 116.2 | 168.9 | -73 | -174.4 | 179.3 | 179.5 | 0 | 103.9 | K420 G424 | K420-K422 VanDerWaalsContact C-N 3.32Å; K420-K422 PolarHBondContact O-N 2.78Å; K422-G424 PolarHBondContact O-N 3.1Å | ||
| 423 | N | 46.5 | Very low | 59.5 | Low | 135 Ų | 135 | 103.4 Ų | 103.4 | 72% | 0.722 | 52% | 0.52 | S | S | * | . | trans | -59.9 | 76.8 | 160.2 | -85.4 | -34.1 | 0 | 0 | 0 | 105 | V421 R425 | V421-N423 PolarHBondContact O-N 3.26Å; N423-R425 PolarHBondContact O-N 3.23Å | ||
| 424 | G | 34.4 | Very low | 57.4 | Low | 57 Ų | 57 | 105.9 Ų | 105.9 | 59% | 0.588 | 54% | 0.535 | S | S | * | . | trans | -54.4 | 115.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 103.6 | K422 R426 | K422-G424 PolarHBondContact O-N 3.1Å; G424-R426 PolarHBondContact O-N 3.23Å | ||
| 425 | R | 34 | Very low | 55.2 | Low | 231 Ų | 231 | 111.9 Ų | 111.9 | 87% | 0.872 | 56% | 0.564 | S | S | * | * | trans | -11.5 | 101.3 | 177.4 | -82.3 | 175.1 | 169.8 | 157.4 | -3.3 | 108.3 | N423 T427 | N423-R425 PolarHBondContact O-N 3.23Å; R425-T427 WeakPolarHBondContact O-CA 3.28Å; R425-T427 WeakPolarHBondContact O-CG2 3.33Å; R425-T427 PolarHBondContact O-N 2.9Å | ||
| 426 | R | 37.3 | Very low | 53.3 | Low | 140 Ų | 140 | 107.3 Ų | 107.3 | 53% | 0.528 | 56% | 0.559 | S | S | . | * | trans | -46.9 | 97.4 | 176.8 | -87.1 | -179 | 178 | -173.6 | -5.6 | 105.8 | G424 T430 | G424-R426 PolarHBondContact O-N 3.23Å; R426-T430 WeakPolarHBondContact CA-OG1 3.13Å; R426-T430 WeakPolarHBondContact CB-OG1 3.15Å | ||
| 427 | T | 34.1 | Very low | 51.6 | Low | 85 Ų | 85 | 106.7 Ų | 106.7 | 52% | 0.521 | 56% | 0.564 | S | S | . | * | trans | -61.3 | 151.5 | -174.6 | 49.1 | 0 | 0 | 0 | 0 | 105.9 | R425 F429 T430 | R425-T427 WeakPolarHBondContact O-CA 3.28Å; R425-T427 WeakPolarHBondContact O-CG2 3.33Å; R425-T427 PolarHBondContact O-N 2.9Å; T427-F429 PolarHBondContact O-N 3.34Å; T427-T430 PolarHBondContact N-OG1 3.17Å; T427-T430 PolarHBondContact O-N 2.76Å; T427-T430 PolarHBondContact O-OG1 2.87Å | ||
| 428 | V | 43.3 | Very low | 50 | Low | 118 Ų | 118 | 108.3 Ų | 108.3 | 72% | 0.715 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -43.6 | -29.4 | 177.3 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | T430 H431 V432 | V428-T430 PolarHBondContact O-N 3.47Å; V428-H431 PolarHBondContact O-N 3.19Å; V428-V432 WeakPolarHBondContact O-CG2 3.17Å; V428-V432 PolarHBondContact O-N 3.19Å; V428-V432 VanDerWaalsContact O-N 3.12Å |
| 429 | F | 37.7 | Very low | 48.8 | Very low | 169 Ų | 169 | 112.4 Ų | 112.4 | 74% | 0.741 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -57 | -37.5 | 172.4 | -78.7 | -80.7 | 0 | 0 | 0 | 116.6 | T427 V432 R433 | T427-F429 PolarHBondContact O-N 3.34Å; F429-V432 PolarHBondContact O-N 2.79Å; F429-R433 PolarHBondContact O-N 3.43Å |
| 430 | T | 46 | Very low | 47.8 | Very low | 63 Ų | 63 | 116 Ų | 116 | 39% | 0.387 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.5 | -38.6 | 176.2 | 31.4 | 0 | 0 | 0 | 0 | 112.1 | R426 T427 V428 R433 T434 | R426-T430 WeakPolarHBondContact CA-OG1 3.13Å; R426-T430 WeakPolarHBondContact CB-OG1 3.15Å; T427-T430 PolarHBondContact N-OG1 3.17Å; T427-T430 PolarHBondContact O-N 2.76Å; T427-T430 PolarHBondContact O-OG1 2.87Å; V428-T430 PolarHBondContact O-N 3.47Å; T430-R433 PolarHBondContact O-N 3.37Å; T430-T434 PolarHBondContact O-N 3.45Å; T430-T434 PolarHBondContact O-OG1 3.15Å |
| 431 | H | 42 | Very low | 47.3 | Very low | 105 Ų | 105 | 113.4 Ų | 113.4 | 49% | 0.486 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.9 | -37.6 | 175.1 | -76 | -45.1 | 0 | 0 | 0 | 112.2 | V428 R433 M435 | V428-H431 PolarHBondContact O-N 3.19Å; H431-R433 VanDerWaalsContact C-N 3.33Å; H431-R433 PolarHBondContact O-N 2.79Å; H431-M435 VanDerWaalsContact O-CB 3.3Å; H431-M435 WeakPolarHBondContact O-CB 3.39Å; H431-M435 VanDerWaalsContact O-CG 3.25Å; H431-M435 WeakPolarHBondContact O-CG 3.16Å; H431-M435 PolarHBondContact O-N 2.92Å |
| 432 | V | 50.8 | Low | 47.1 | Very low | 89 Ų | 89 | 110.4 Ų | 110.4 | 54% | 0.539 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.3 | -39.3 | 173.4 | 176.9 | 0 | 0 | 0 | 0 | 111 | V428 F429 A436 | V428-V432 WeakPolarHBondContact O-CG2 3.17Å; V428-V432 PolarHBondContact O-N 3.19Å; V428-V432 VanDerWaalsContact O-N 3.12Å; F429-V432 PolarHBondContact O-N 2.79Å; V432-A436 WeakPolarHBondContact O-CB 3.35Å; V432-A436 PolarHBondContact O-N 3.3Å |
| 433 | R | 46.7 | Very low | 47.5 | Very low | 206 Ų | 206 | 107.3 Ų | 107.3 | 78% | 0.777 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.7 | -44 | 178.2 | -115.3 | -177.3 | 173.5 | 179.7 | -1.9 | 113 | F429 T430 H431 A436 A437 | F429-R433 PolarHBondContact O-N 3.43Å; T430-R433 PolarHBondContact O-N 3.37Å; H431-R433 VanDerWaalsContact C-N 3.33Å; H431-R433 PolarHBondContact O-N 2.79Å; R433-A436 PolarHBondContact O-N 2.99Å; R433-A437 VanDerWaalsContact O-CB 3.3Å; R433-A437 WeakPolarHBondContact O-CB 3.36Å; R433-A437 PolarHBondContact O-N 3.02Å |
| 434 | T | 53.5 | Low | 48 | Very low | 52 Ų | 52 | 102.5 Ų | 102.5 | 32% | 0.319 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 174.9 | 21.8 | 0 | 0 | 0 | 0 | 111.6 | T430 A436 A437 C438 | T430-T434 PolarHBondContact O-N 3.45Å; T430-T434 PolarHBondContact O-OG1 3.15Å; T434-A436 VanDerWaalsContact C-N 3.35Å; T434-A436 PolarHBondContact O-N 3.15Å; T434-A437 PolarHBondContact O-N 2.95Å; T434-C438 WeakPolarHBondContact O-CB 3.49Å; T434-C438 PolarHBondContact O-N 2.93Å; T434-C438 PolarHBondContact O-SG 2.83Å; T434-C438 VanDerWaalsContact O-SG 3.33Å |
| 435 | M | 52.5 | Low | 49 | Very low | 127 Ų | 127 | 106.5 Ų | 106.5 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.6 | -44.3 | 173.9 | -74.3 | -172.4 | 77.9 | 0 | 0 | 111.6 | H431 C438 L439 | H431-M435 VanDerWaalsContact O-CB 3.3Å; H431-M435 WeakPolarHBondContact O-CB 3.39Å; H431-M435 VanDerWaalsContact O-CG 3.25Å; H431-M435 WeakPolarHBondContact O-CG 3.16Å; H431-M435 PolarHBondContact O-N 2.92Å; M435-C438 PolarHBondContact O-N 2.8Å; M435-L439 WeakPolarHBondContact O-CB 3.44Å; M435-L439 WeakPolarHBondContact O-CD1 3.36Å; M435-L439 PolarHBondContact O-N 3.39Å |
| 436 | A | 55.4 | Low | 50 | Low | 54 Ų | 54 | 98.6 Ų | 98.6 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V432 R433 T434 L439 Y440 | V432-A436 WeakPolarHBondContact O-CB 3.35Å; V432-A436 PolarHBondContact O-N 3.3Å; R433-A436 PolarHBondContact O-N 2.99Å; T434-A436 VanDerWaalsContact C-N 3.35Å; T434-A436 PolarHBondContact O-N 3.15Å; A436-L439 PolarHBondContact O-N 3.28Å; A436-Y440 WeakPolarHBondContact O-CB 3.37Å; A436-Y440 PolarHBondContact O-N 3.16Å |
| 437 | A | 55.5 | Low | 51.3 | Low | 58 Ų | 58 | 94.9 Ų | 94.9 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R433 T434 Y440 A441 | R433-A437 VanDerWaalsContact O-CB 3.3Å; R433-A437 WeakPolarHBondContact O-CB 3.36Å; R433-A437 PolarHBondContact O-N 3.02Å; T434-A437 PolarHBondContact O-N 2.95Å; A437-Y440 PolarHBondContact O-N 3.06Å; A437-A441 VanDerWaalsContact O-CB 3.26Å; A437-A441 WeakPolarHBondContact O-CB 3.41Å; A437-A441 PolarHBondContact O-N 3.13Å |
| 438 | C | 52.2 | Low | 52.7 | Low | 72 Ų | 72 | 97 Ų | 97 | 49% | 0.486 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 174.2 | -73.5 | 0 | 0 | 0 | 0 | 111.8 | T434 M435 A441 A442 | T434-C438 WeakPolarHBondContact O-CB 3.49Å; T434-C438 PolarHBondContact O-N 2.93Å; T434-C438 PolarHBondContact O-SG 2.83Å; T434-C438 VanDerWaalsContact O-SG 3.33Å; M435-C438 PolarHBondContact O-N 2.8Å; C438-A441 PolarHBondContact O-N 3.47Å; C438-A442 WeakPolarHBondContact O-CB 3.33Å; C438-A442 PolarHBondContact O-N 2.92Å |
| 439 | L | 55.9 | Low | 53.7 | Low | 101 Ų | 101 | 96.3 Ų | 96.3 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 172.9 | -100 | 134.6 | 0 | 0 | 0 | 110.8 | M435 A436 A442 M443 | M435-L439 WeakPolarHBondContact O-CB 3.44Å; M435-L439 WeakPolarHBondContact O-CD1 3.36Å; M435-L439 PolarHBondContact O-N 3.39Å; A436-L439 PolarHBondContact O-N 3.28Å; L439-A442 PolarHBondContact O-N 3.32Å; L439-M443 VanDerWaalsContact O-CB 3.3Å; L439-M443 WeakPolarHBondContact O-CB 2.93Å; L439-M443 WeakPolarHBondContact O-CG 3.38Å; L439-M443 PolarHBondContact O-N 2.89Å |
| 440 | Y | 58 | Low | 55.1 | Low | 176 Ų | 176 | 90.1 Ų | 90.1 | 69% | 0.69 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 177.4 | -171.7 | -92.7 | 0 | 0 | 0 | 111.7 | A436 A437 A442 M443 A444 | A436-Y440 WeakPolarHBondContact O-CB 3.37Å; A436-Y440 PolarHBondContact O-N 3.16Å; A437-Y440 PolarHBondContact O-N 3.06Å; Y440-A442 PolarHBondContact O-N 2.84Å; Y440-M443 PolarHBondContact O-N 3.2Å; Y440-A444 WeakPolarHBondContact O-CB 3.47Å; Y440-A444 PolarHBondContact O-N 2.71Å |
| 441 | A | 56.4 | Low | 56.3 | Low | 34 Ų | 34 | 92 Ų | 92 | 28% | 0.281 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -32.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A437 C438 R445 | A437-A441 VanDerWaalsContact O-CB 3.26Å; A437-A441 WeakPolarHBondContact O-CB 3.41Å; A437-A441 PolarHBondContact O-N 3.13Å; C438-A441 PolarHBondContact O-N 3.47Å; A441-R445 VanDerWaalsContact O-CB 3.29Å; A441-R445 WeakPolarHBondContact O-CB 3.38Å; A441-R445 WeakPolarHBondContact O-CG 3.37Å; A441-R445 PolarHBondContact O-N 2.8Å; A441-R445 PolarHBondContact O-NE 2.88Å; A441-R445 VanDerWaalsContact O-NE 3.15Å |
| 442 | A | 51.5 | Low | 57.7 | Low | 54 Ų | 54 | 92.5 Ų | 92.5 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71 | -43.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | C438 L439 Y440 R445 A446 | C438-A442 WeakPolarHBondContact O-CB 3.33Å; C438-A442 PolarHBondContact O-N 2.92Å; L439-A442 PolarHBondContact O-N 3.32Å; Y440-A442 PolarHBondContact O-N 2.84Å; A442-R445 PolarHBondContact O-N 3.09Å; A442-A446 VanDerWaalsContact O-CB 3.27Å; A442-A446 WeakPolarHBondContact O-CB 3.22Å; A442-A446 PolarHBondContact O-N 3.21Å |
| 443 | M | 53.5 | Low | 58.5 | Low | 127 Ų | 127 | 92.8 Ų | 92.8 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.6 | -41.3 | 176 | -71.6 | -179.1 | 80.7 | 0 | 0 | 111.7 | L439 Y440 A446 S447 | L439-M443 VanDerWaalsContact O-CB 3.3Å; L439-M443 WeakPolarHBondContact O-CB 2.93Å; L439-M443 WeakPolarHBondContact O-CG 3.38Å; L439-M443 PolarHBondContact O-N 2.89Å; Y440-M443 PolarHBondContact O-N 3.2Å; M443-A446 PolarHBondContact O-N 2.81Å; M443-S447 VanDerWaalsContact O-CB 3.31Å; M443-S447 WeakPolarHBondContact O-CB 3.42Å; M443-S447 PolarHBondContact O-N 2.81Å; M443-S447 PolarHBondContact O-OG 2.9Å |
| 444 | A | 58.4 | Low | 59.7 | Low | 35 Ų | 35 | 89 Ų | 89 | 29% | 0.289 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y440 S447 M448 | Y440-A444 WeakPolarHBondContact O-CB 3.47Å; Y440-A444 PolarHBondContact O-N 2.71Å; A444-S447 PolarHBondContact O-N 2.94Å; A444-S447 PolarHBondContact O-OG 3.31Å; A444-S447 VanDerWaalsContact O-OG 3.05Å; A444-M448 VanDerWaalsContact O-CB 3.29Å; A444-M448 WeakPolarHBondContact O-CB 3.49Å; A444-M448 WeakPolarHBondContact O-CG 3.5Å; A444-M448 PolarHBondContact O-N 3.04Å |
| 445 | R | 54.3 | Low | 60.5 | Low | 141 Ų | 141 | 93 Ų | 93 | 53% | 0.532 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | 172.1 | -82.2 | -178.1 | -79.8 | -148.7 | -0.7 | 112.2 | A441 A442 S447 M448 N449 | A441-R445 VanDerWaalsContact O-CB 3.29Å; A441-R445 WeakPolarHBondContact O-CB 3.38Å; A441-R445 WeakPolarHBondContact O-CG 3.37Å; A441-R445 PolarHBondContact O-N 2.8Å; A441-R445 PolarHBondContact O-NE 2.88Å; A441-R445 VanDerWaalsContact O-NE 3.15Å; A442-R445 PolarHBondContact O-N 3.09Å; R445-S447 VanDerWaalsContact C-N 3.32Å; R445-S447 PolarHBondContact O-N 2.91Å; R445-M448 PolarHBondContact O-N 2.94Å; R445-N449 VanDerWaalsContact O-CB 3.29Å; R445-N449 WeakPolarHBondContact O-CB 3.39Å; R445-N449 VanDerWaalsContact O-CG 3.25Å; R445-N449 PolarHBondContact O-N 2.87Å |
| 446 | A | 54.5 | Low | 61.5 | Low | 64 Ų | 64 | 90.4 Ų | 90.4 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A442 M443 G450 | A442-A446 VanDerWaalsContact O-CB 3.27Å; A442-A446 WeakPolarHBondContact O-CB 3.22Å; A442-A446 PolarHBondContact O-N 3.21Å; M443-A446 PolarHBondContact O-N 2.81Å; A446-G450 WeakPolarHBondContact O-CA 3.48Å; A446-G450 PolarHBondContact O-N 3.32Å |
| 447 | S | 65.3 | Low | 62.5 | Low | 62 Ų | 62 | 93.4 Ų | 93.4 | 43% | 0.434 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73 | -39.8 | 177.1 | 79.4 | 0 | 0 | 0 | 0 | 111.8 | M443 A444 R445 G450 L451 | M443-S447 VanDerWaalsContact O-CB 3.31Å; M443-S447 WeakPolarHBondContact O-CB 3.42Å; M443-S447 PolarHBondContact O-N 2.81Å; M443-S447 PolarHBondContact O-OG 2.9Å; A444-S447 PolarHBondContact O-N 2.94Å; A444-S447 PolarHBondContact O-OG 3.31Å; A444-S447 VanDerWaalsContact O-OG 3.05Å; R445-S447 VanDerWaalsContact C-N 3.32Å; R445-S447 PolarHBondContact O-N 2.91Å; S447-G450 PolarHBondContact O-N 3.49Å; S447-L451 WeakPolarHBondContact O-CB 3.39Å; S447-L451 WeakPolarHBondContact O-CD1 3.2Å; S447-L451 PolarHBondContact O-N 2.92Å |
| 448 | M | 62.8 | Low | 63.4 | Low | 131 Ų | 131 | 95.2 Ų | 95.2 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.5 | -44.1 | 175.2 | -73.1 | -119.5 | -63.1 | 0 | 0 | 111.4 | A444 R445 L451 L452 | A444-M448 VanDerWaalsContact O-CB 3.29Å; A444-M448 WeakPolarHBondContact O-CB 3.49Å; A444-M448 WeakPolarHBondContact O-CG 3.5Å; A444-M448 PolarHBondContact O-N 3.04Å; R445-M448 PolarHBondContact O-N 2.94Å; M448-L451 PolarHBondContact O-N 3.12Å; M448-L452 WeakPolarHBondContact O-CB 3.4Å; M448-L452 PolarHBondContact O-N 2.85Å |
| 449 | N | 64.3 | Low | 64.7 | Low | 103 Ų | 103 | 95.2 Ų | 95.2 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66 | -40.4 | 174.5 | -71.4 | -5.7 | 0 | 0 | 0 | 111 | R445 L452 V453 | R445-N449 VanDerWaalsContact O-CB 3.29Å; R445-N449 WeakPolarHBondContact O-CB 3.39Å; R445-N449 VanDerWaalsContact O-CG 3.25Å; R445-N449 PolarHBondContact O-N 2.87Å; N449-L452 PolarHBondContact O-N 2.84Å; N449-V453 WeakPolarHBondContact O-CB 3.24Å; N449-V453 VanDerWaalsContact O-CG2 3.24Å; N449-V453 WeakPolarHBondContact O-CG2 3.23Å; N449-V453 PolarHBondContact O-N 3.22Å |
| 450 | G | 68.7 | Low | 65.9 | Low | 39 Ų | 39 | 95.2 Ų | 95.2 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A446 S447 V453 F454 | A446-G450 WeakPolarHBondContact O-CA 3.48Å; A446-G450 PolarHBondContact O-N 3.32Å; S447-G450 PolarHBondContact O-N 3.49Å; G450-V453 PolarHBondContact O-N 3.18Å; G450-F454 WeakPolarHBondContact O-CB 3.41Å; G450-F454 PolarHBondContact O-N 2.84Å |
| 451 | L | 70 | Confident | 67.1 | Low | 102 Ų | 102 | 90.2 Ų | 90.2 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 174.4 | -105 | 116.3 | 0 | 0 | 0 | 111.6 | S447 M448 F454 F455 | S447-L451 WeakPolarHBondContact O-CB 3.39Å; S447-L451 WeakPolarHBondContact O-CD1 3.2Å; S447-L451 PolarHBondContact O-N 2.92Å; M448-L451 PolarHBondContact O-N 3.12Å; L451-F454 PolarHBondContact O-N 3.13Å; L451-F455 HydrophobicContact CD2-CD2 4.36Å; L451-F455 HydrophobicContact CD2-CE2 4.25Å; L451-F455 WeakPolarHBondContact O-CB 3.37Å; L451-F455 PolarHBondContact O-N 2.67Å |
| 452 | L | 71.1 | Confident | 68.4 | Low | 116 Ų | 116 | 91.4 Ų | 91.4 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.7 | -42.9 | 179 | -162.5 | 80.5 | 0 | 0 | 0 | 111.3 | M448 N449 F455 T456 | M448-L452 WeakPolarHBondContact O-CB 3.4Å; M448-L452 PolarHBondContact O-N 2.85Å; N449-L452 PolarHBondContact O-N 2.84Å; L452-F455 PolarHBondContact O-N 2.85Å; L452-T456 WeakPolarHBondContact O-CB 3.43Å; L452-T456 VanDerWaalsContact O-CG2 3.31Å; L452-T456 WeakPolarHBondContact O-CG2 3.43Å; L452-T456 PolarHBondContact O-N 2.8Å; L452-T456 PolarHBondContact O-OG1 2.83Å |
| 453 | V | 68.7 | Low | 70.2 | Confident | 94 Ų | 94 | 94.4 Ų | 94.4 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -41.3 | 174.1 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | N449 G450 T456 F457 | N449-V453 WeakPolarHBondContact O-CB 3.24Å; N449-V453 VanDerWaalsContact O-CG2 3.24Å; N449-V453 WeakPolarHBondContact O-CG2 3.23Å; N449-V453 PolarHBondContact O-N 3.22Å; G450-V453 PolarHBondContact O-N 3.18Å; V453-T456 WeakPolarHBondContact CA-OG1 3.18Å; V453-T456 PolarHBondContact O-OG1 2.86Å; V453-F457 VanDerWaalsContact O-CB 3.26Å; V453-F457 WeakPolarHBondContact O-CB 3.44Å; V453-F457 PolarHBondContact O-N 3.5Å |
| 454 | F | 71 | Confident | 71.8 | Confident | 128 Ų | 128 | 94.1 Ų | 94.1 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.6 | -46.9 | 176.4 | -167.5 | -91.8 | 0 | 0 | 0 | 111.4 | G450 L451 F457 F458 | G450-F454 WeakPolarHBondContact O-CB 3.41Å; G450-F454 PolarHBondContact O-N 2.84Å; L451-F454 PolarHBondContact O-N 3.13Å; F454-F457 PolarHBondContact O-N 2.93Å; F454-F458 AromaticContact CD1-CD2 3.71Å; F454-F458 HydrophobicContact CD1-CD2 3.71Å; F454-F458 AromaticContact CD1-CE2 3.95Å; F454-F458 HydrophobicContact CD1-CE2 3.95Å; F454-F458 HydrophobicContact CD2-CD2 4.3Å; F454-F458 AromaticContact CD2-CE2 4Å; F454-F458 HydrophobicContact CD2-CE2 4Å; F454-F458 AromaticContact CE1-CD2 3.51Å; F454-F458 HydrophobicContact CE1-CD2 3.51Å; F454-F458 AromaticContact CE1-CE2 3.36Å; F454-F458 HydrophobicContact CE1-CE2 3.36Å; F454-F458 HydrophobicContact CE1-CG 4.4Å; F454-F458 HydrophobicContact CE1-CZ 4.12Å; F454-F458 HydrophobicContact CE2-CD2 4.14Å; F454-F458 AromaticContact CE2-CE2 3.44Å; F454-F458 HydrophobicContact CE2-CE2 3.44Å; F454-F458 VanDerWaalsContact CE2-CE2 3.44Å; F454-F458 HydrophobicContact CE2-CZ 4.31Å; F454-F458 HydrophobicContact CG-CD2 4.12Å; F454-F458 HydrophobicContact CG-CE2 4.24Å; F454-F458 AromaticContact CZ-CD2 3.76Å; F454-F458 HydrophobicContact CZ-CD2 3.76Å; F454-F458 AromaticContact CZ-CE2 3.09Å; F454-F458 HydrophobicContact CZ-CE2 3.09Å; F454-F458 AromaticContact CZ-CZ 3.73Å; F454-F458 HydrophobicContact CZ-CZ 3.73Å; F454-F458 WeakPolarHBondContact O-CD2 3.35Å; F454-F458 PolarHBondContact O-N 2.84Å |
| 455 | F | 71.3 | Confident | 73.2 | Confident | 134 Ų | 134 | 97.7 Ų | 97.7 | 59% | 0.588 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.1 | -45.3 | 176.7 | -104.6 | -82.8 | 0 | 0 | 0 | 112 | L451 L452 F458 C459 | L451-F455 HydrophobicContact CD2-CD2 4.36Å; L451-F455 HydrophobicContact CD2-CE2 4.25Å; L451-F455 WeakPolarHBondContact O-CB 3.37Å; L451-F455 PolarHBondContact O-N 2.67Å; L452-F455 PolarHBondContact O-N 2.85Å; F455-F458 PolarHBondContact O-N 3.31Å; F455-C459 WeakPolarHBondContact O-CB 3.49Å; F455-C459 PolarHBondContact O-N 3.41Å; F455-C459 PolarHBondContact O-SG 2.81Å |
| 456 | T | 72.6 | Confident | 74.8 | Confident | 74 Ų | 74 | 93.2 Ų | 93.2 | 45% | 0.454 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 178.2 | 48.7 | 0 | 0 | 0 | 0 | 111.7 | L452 V453 C459 L460 | L452-T456 WeakPolarHBondContact O-CB 3.43Å; L452-T456 VanDerWaalsContact O-CG2 3.31Å; L452-T456 WeakPolarHBondContact O-CG2 3.43Å; L452-T456 PolarHBondContact O-N 2.8Å; L452-T456 PolarHBondContact O-OG1 2.83Å; V453-T456 WeakPolarHBondContact CA-OG1 3.18Å; V453-T456 PolarHBondContact O-OG1 2.86Å; T456-C459 PolarHBondContact O-N 3.28Å; T456-L460 WeakPolarHBondContact O-CB 3.21Å; T456-L460 WeakPolarHBondContact O-CG 3.46Å; T456-L460 PolarHBondContact O-N 2.94Å |
| 457 | F | 76 | Confident | 76.4 | Confident | 117 Ų | 117 | 97 Ų | 97 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 174.1 | 179.9 | -95.6 | 0 | 0 | 0 | 112.5 | V453 F454 L460 M461 | V453-F457 VanDerWaalsContact O-CB 3.26Å; V453-F457 WeakPolarHBondContact O-CB 3.44Å; V453-F457 PolarHBondContact O-N 3.5Å; F454-F457 PolarHBondContact O-N 2.93Å; F457-L460 PolarHBondContact O-N 3.45Å; F457-M461 HydrophobicContact CE1-CE 4.13Å; F457-M461 HydrophobicContact CE1-SD 4.02Å; F457-M461 HydrophobicContact CZ-SD 4.3Å; F457-M461 WeakPolarHBondContact O-CB 3.33Å; F457-M461 PolarHBondContact O-N 3.36Å |
| 458 | F | 76 | Confident | 77.3 | Confident | 95 Ų | 95 | 96.8 Ų | 96.8 | 42% | 0.417 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68 | -38.5 | 179.3 | -91 | -91.3 | 0 | 0 | 0 | 112.7 | F454 F455 M461 A462 | F454-F458 AromaticContact CD1-CD2 3.71Å; F454-F458 HydrophobicContact CD1-CD2 3.71Å; F454-F458 AromaticContact CD1-CE2 3.95Å; F454-F458 HydrophobicContact CD1-CE2 3.95Å; F454-F458 HydrophobicContact CD2-CD2 4.3Å; F454-F458 AromaticContact CD2-CE2 4Å; F454-F458 HydrophobicContact CD2-CE2 4Å; F454-F458 AromaticContact CE1-CD2 3.51Å; F454-F458 HydrophobicContact CE1-CD2 3.51Å; F454-F458 AromaticContact CE1-CE2 3.36Å; F454-F458 HydrophobicContact CE1-CE2 3.36Å; F454-F458 HydrophobicContact CE1-CG 4.4Å; F454-F458 HydrophobicContact CE1-CZ 4.12Å; F454-F458 HydrophobicContact CE2-CD2 4.14Å; F454-F458 AromaticContact CE2-CE2 3.44Å; F454-F458 HydrophobicContact CE2-CE2 3.44Å; F454-F458 VanDerWaalsContact CE2-CE2 3.44Å; F454-F458 HydrophobicContact CE2-CZ 4.31Å; F454-F458 HydrophobicContact CG-CD2 4.12Å; F454-F458 HydrophobicContact CG-CE2 4.24Å; F454-F458 AromaticContact CZ-CD2 3.76Å; F454-F458 HydrophobicContact CZ-CD2 3.76Å; F454-F458 AromaticContact CZ-CE2 3.09Å; F454-F458 HydrophobicContact CZ-CE2 3.09Å; F454-F458 AromaticContact CZ-CZ 3.73Å; F454-F458 HydrophobicContact CZ-CZ 3.73Å; F454-F458 WeakPolarHBondContact O-CD2 3.35Å; F454-F458 PolarHBondContact O-N 2.84Å; F455-F458 PolarHBondContact O-N 3.31Å; F458-M461 HydrophobicContact CD1-CE 3.94Å; F458-M461 HydrophobicContact CE1-CE 3.74Å; F458-M461 HydrophobicContact CZ-CE 4.22Å; F458-M461 PolarHBondContact O-N 2.82Å; F458-A462 VanDerWaalsContact O-CB 3.32Å; F458-A462 WeakPolarHBondContact O-CB 3.44Å; F458-A462 PolarHBondContact O-N 2.97Å |
| 459 | C | 78.8 | Confident | 78.5 | Confident | 72 Ų | 72 | 93.1 Ų | 93.1 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 172.3 | -74.7 | 0 | 0 | 0 | 0 | 111.4 | F455 T456 A462 L463 | F455-C459 WeakPolarHBondContact O-CB 3.49Å; F455-C459 PolarHBondContact O-N 3.41Å; F455-C459 PolarHBondContact O-SG 2.81Å; T456-C459 PolarHBondContact O-N 3.28Å; C459-A462 PolarHBondContact O-N 3.11Å; C459-L463 WeakPolarHBondContact O-CB 3.37Å; C459-L463 VanDerWaalsContact O-CG 3.28Å; C459-L463 WeakPolarHBondContact O-CG 3.5Å; C459-L463 PolarHBondContact O-N 3.28Å |
| 460 | L | 81.8 | Confident | 79.7 | Confident | 102 Ų | 102 | 92.7 Ų | 92.7 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 176.2 | -75.8 | 167.5 | 0 | 0 | 0 | 112.1 | T456 F457 L463 L464 | T456-L460 WeakPolarHBondContact O-CB 3.21Å; T456-L460 WeakPolarHBondContact O-CG 3.46Å; T456-L460 PolarHBondContact O-N 2.94Å; F457-L460 PolarHBondContact O-N 3.45Å; L460-L463 PolarHBondContact O-N 2.84Å; L460-L464 WeakPolarHBondContact O-CG 3.29Å; L460-L464 PolarHBondContact O-N 3.12Å |
| 461 | M | 82.4 | Confident | 80.5 | Confident | 70 Ų | 70 | 93.9 Ų | 93.9 | 35% | 0.345 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 177.5 | -170.1 | 163 | 67.2 | 0 | 0 | 111.6 | F457 F458 L463 L464 I465 | F457-M461 HydrophobicContact CE1-CE 4.13Å; F457-M461 HydrophobicContact CE1-SD 4.02Å; F457-M461 HydrophobicContact CZ-SD 4.3Å; F457-M461 WeakPolarHBondContact O-CB 3.33Å; F457-M461 PolarHBondContact O-N 3.36Å; F458-M461 HydrophobicContact CD1-CE 3.94Å; F458-M461 HydrophobicContact CE1-CE 3.74Å; F458-M461 HydrophobicContact CZ-CE 4.22Å; F458-M461 PolarHBondContact O-N 2.82Å; M461-L463 VanDerWaalsContact C-N 3.35Å; M461-L463 PolarHBondContact O-N 3.4Å; M461-L464 PolarHBondContact O-N 2.76Å; M461-I465 HydrophobicContact CG-CD1 4.06Å; M461-I465 VanDerWaalsContact O-CG1 3.27Å; M461-I465 WeakPolarHBondContact O-CG1 3.34Å; M461-I465 PolarHBondContact O-N 2.89Å |
| 462 | A | 83.3 | Confident | 81.2 | Confident | 59 Ų | 59 | 91.9 Ų | 91.9 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F458 C459 I465 A466 | F458-A462 VanDerWaalsContact O-CB 3.32Å; F458-A462 WeakPolarHBondContact O-CB 3.44Å; F458-A462 PolarHBondContact O-N 2.97Å; C459-A462 PolarHBondContact O-N 3.11Å; A462-I465 PolarHBondContact O-N 2.8Å; A462-A466 VanDerWaalsContact O-CB 3.32Å; A462-A466 WeakPolarHBondContact O-CB 3.44Å; A462-A466 PolarHBondContact O-N 3.09Å |
| 463 | L | 89.2 | Confident | 82 | Confident | 118 Ų | 118 | 94.8 Ų | 94.8 | 62% | 0.618 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -40.8 | 174.6 | -73.6 | 168.5 | 0 | 0 | 0 | 112.1 | C459 L460 M461 A466 Y467 | C459-L463 WeakPolarHBondContact O-CB 3.37Å; C459-L463 VanDerWaalsContact O-CG 3.28Å; C459-L463 WeakPolarHBondContact O-CG 3.5Å; C459-L463 PolarHBondContact O-N 3.28Å; L460-L463 PolarHBondContact O-N 2.84Å; M461-L463 VanDerWaalsContact C-N 3.35Å; M461-L463 PolarHBondContact O-N 3.4Å; L463-A466 PolarHBondContact O-N 3.18Å; L463-Y467 VanDerWaalsContact O-CB 3.3Å; L463-Y467 WeakPolarHBondContact O-CB 3.5Å; L463-Y467 PolarHBondContact O-N 3.15Å |
| 464 | L | 86.9 | Confident | 82.8 | Confident | 120 Ų | 120 | 94.6 Ų | 94.6 | 63% | 0.628 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66 | -42.1 | 176.3 | -75.2 | 169.2 | 0 | 0 | 0 | 112.3 | L460 M461 Y467 A468 | L460-L464 WeakPolarHBondContact O-CG 3.29Å; L460-L464 PolarHBondContact O-N 3.12Å; M461-L464 PolarHBondContact O-N 2.76Å; L464-Y467 PolarHBondContact O-N 2.87Å; L464-A468 WeakPolarHBondContact O-CB 2.93Å; L464-A468 PolarHBondContact O-N 2.96Å |
| 465 | I | 88.3 | Confident | 83.3 | Confident | 110 Ų | 110 | 96.5 Ų | 96.5 | 56% | 0.564 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.6 | -44.7 | 175.8 | -68.2 | 165.6 | 0 | 0 | 0 | 110.3 | M461 A462 Y467 A468 S469 | M461-I465 HydrophobicContact CG-CD1 4.06Å; M461-I465 VanDerWaalsContact O-CG1 3.27Å; M461-I465 WeakPolarHBondContact O-CG1 3.34Å; M461-I465 PolarHBondContact O-N 2.89Å; A462-I465 PolarHBondContact O-N 2.8Å; I465-Y467 VanDerWaalsContact C-N 3.35Å; I465-Y467 PolarHBondContact O-N 3.35Å; I465-A468 PolarHBondContact O-N 2.74Å; I465-S469 WeakPolarHBondContact O-CB 3.42Å; I465-S469 PolarHBondContact O-N 2.76Å |
| 466 | A | 87.3 | Confident | 83.8 | Confident | 47 Ų | 47 | 95.5 Ų | 95.5 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A462 L463 S469 I470 | A462-A466 VanDerWaalsContact O-CB 3.32Å; A462-A466 WeakPolarHBondContact O-CB 3.44Å; A462-A466 PolarHBondContact O-N 3.09Å; L463-A466 PolarHBondContact O-N 3.18Å; A466-S469 PolarHBondContact O-N 2.96Å; A466-I470 VanDerWaalsContact O-CG1 3.28Å; A466-I470 WeakPolarHBondContact O-CG1 3.4Å; A466-I470 PolarHBondContact O-N 2.91Å |
| 467 | Y | 88.2 | Confident | 84.3 | Confident | 145 Ų | 145 | 96 Ų | 96 | 57% | 0.569 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.9 | -47.9 | 175.7 | -179.6 | -101.1 | 0 | 0 | 0 | 112 | L463 L464 I465 S469 I470 Q471 | L463-Y467 VanDerWaalsContact O-CB 3.3Å; L463-Y467 WeakPolarHBondContact O-CB 3.5Å; L463-Y467 PolarHBondContact O-N 3.15Å; L464-Y467 PolarHBondContact O-N 2.87Å; I465-Y467 VanDerWaalsContact C-N 3.35Å; I465-Y467 PolarHBondContact O-N 3.35Å; Y467-S469 VanDerWaalsContact C-N 3.31Å; Y467-S469 PolarHBondContact O-N 3.4Å; Y467-I470 PolarHBondContact O-N 3.41Å; Y467-Q471 HydrophobicContact CD1-CG 4.15Å; Y467-Q471 HydrophobicContact CE1-CG 3.76Å; Y467-Q471 HydrophobicContact CE2-CG 4.18Å; Y467-Q471 VanDerWaalsContact O-CG 3.31Å; Y467-Q471 WeakPolarHBondContact O-CG 3.22Å; Y467-Q471 PolarHBondContact O-N 3.3Å |
| 468 | A | 85.2 | Confident | 84.5 | Confident | 57 Ų | 57 | 96.5 Ų | 96.5 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L464 I465 Q471 A472 | L464-A468 WeakPolarHBondContact O-CB 2.93Å; L464-A468 PolarHBondContact O-N 2.96Å; I465-A468 PolarHBondContact O-N 2.74Å; A468-Q471 PolarHBondContact O-N 3.02Å; A468-A472 WeakPolarHBondContact O-CB 3.41Å; A468-A472 PolarHBondContact O-N 2.79Å |
| 469 | S | 87.8 | Confident | 84.7 | Confident | 54 Ų | 54 | 99.2 Ų | 99.2 | 38% | 0.378 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 175.5 | -170.4 | 0 | 0 | 0 | 0 | 112 | I465 A466 Y467 A472 R473 | I465-S469 WeakPolarHBondContact O-CB 3.42Å; I465-S469 PolarHBondContact O-N 2.76Å; A466-S469 PolarHBondContact O-N 2.96Å; Y467-S469 VanDerWaalsContact C-N 3.31Å; Y467-S469 PolarHBondContact O-N 3.4Å; S469-A472 PolarHBondContact O-N 3.01Å; S469-R473 WeakPolarHBondContact O-CG 3.47Å; S469-R473 PolarHBondContact O-N 3.3Å |
| 470 | I | 88.8 | Confident | 84.7 | Confident | 93 Ų | 93 | 100 Ų | 100 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 176.1 | -68.5 | 164.7 | 0 | 0 | 0 | 110.3 | A466 Y467 A472 R473 L474 | A466-I470 VanDerWaalsContact O-CG1 3.28Å; A466-I470 WeakPolarHBondContact O-CG1 3.4Å; A466-I470 PolarHBondContact O-N 2.91Å; Y467-I470 PolarHBondContact O-N 3.41Å; I470-A472 PolarHBondContact O-N 3.5Å; I470-R473 PolarHBondContact O-N 3.39Å; I470-L474 HydrophobicContact CG2-CD1 3.96Å; I470-L474 WeakPolarHBondContact O-CG 3.2Å; I470-L474 PolarHBondContact O-N 3.44Å |
| 471 | Q | 86.9 | Confident | 84.6 | Confident | 64 Ų | 64 | 101.6 Ų | 101.6 | 30% | 0.299 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 177.9 | -69.1 | -61.1 | -42.6 | 0 | 0 | 112.5 | Y467 A468 L474 R475 | Y467-Q471 HydrophobicContact CD1-CG 4.15Å; Y467-Q471 HydrophobicContact CE1-CG 3.76Å; Y467-Q471 HydrophobicContact CE2-CG 4.18Å; Y467-Q471 VanDerWaalsContact O-CG 3.31Å; Y467-Q471 WeakPolarHBondContact O-CG 3.22Å; Y467-Q471 PolarHBondContact O-N 3.3Å; A468-Q471 PolarHBondContact O-N 3.02Å; Q471-L474 PolarHBondContact O-N 2.93Å; Q471-R475 WeakPolarHBondContact O-CG 3.3Å; Q471-R475 PolarHBondContact O-N 2.8Å |
| 472 | A | 84.8 | Confident | 84.3 | Confident | 60 Ų | 60 | 102.7 Ų | 102.7 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A468 S469 I470 L476 | A468-A472 WeakPolarHBondContact O-CB 3.41Å; A468-A472 PolarHBondContact O-N 2.79Å; S469-A472 PolarHBondContact O-N 3.01Å; I470-A472 PolarHBondContact O-N 3.5Å; A472-L476 WeakPolarHBondContact O-CB 3.46Å; A472-L476 PolarHBondContact O-N 3.3Å |
| 473 | R | 86.6 | Confident | 83.9 | Confident | 177 Ų | 177 | 102.8 Ų | 102.8 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.7 | -46 | 175.2 | -72.5 | 177.6 | -168.9 | -120.8 | 3.1 | 111.5 | S469 I470 R475 L476 T477 | S469-R473 WeakPolarHBondContact O-CG 3.47Å; S469-R473 PolarHBondContact O-N 3.3Å; I470-R473 PolarHBondContact O-N 3.39Å; R473-R475 PolarHBondContact O-N 2.74Å; R473-L476 PolarHBondContact O-N 2.83Å; R473-T477 PolarHBondContact O-N 3.16Å; R473-T477 PolarHBondContact O-OG1 2.88Å |
| 474 | L | 85.1 | Confident | 83.3 | Confident | 90 Ų | 90 | 103.5 Ų | 103.5 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.6 | -47.5 | 177.3 | -75.2 | 167.9 | 0 | 0 | 0 | 111.6 | I470 Q471 L476 T477 E478 | I470-L474 HydrophobicContact CG2-CD1 3.96Å; I470-L474 WeakPolarHBondContact O-CG 3.2Å; I470-L474 PolarHBondContact O-N 3.44Å; Q471-L474 PolarHBondContact O-N 2.93Å; L474-L476 VanDerWaalsContact C-N 3.31Å; L474-L476 PolarHBondContact O-N 3.18Å; L474-T477 PolarHBondContact O-N 3.3Å; L474-E478 WeakPolarHBondContact O-CG 3.05Å; L474-E478 PolarHBondContact O-N 3.16Å |
| 475 | R | 81.6 | Confident | 82.7 | Confident | 168 Ų | 168 | 105 Ų | 105 | 63% | 0.634 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.7 | -36.4 | 176.3 | -73.4 | -176.8 | -174.5 | -163.6 | 1.6 | 112.9 | Q471 R473 K479 | Q471-R475 WeakPolarHBondContact O-CG 3.3Å; Q471-R475 PolarHBondContact O-N 2.8Å; R473-R475 PolarHBondContact O-N 2.74Å; R475-K479 WeakPolarHBondContact O-CB 3.42Å; R475-K479 WeakPolarHBondContact O-CG 3.27Å; R475-K479 PolarHBondContact O-N 3.1Å |
| 476 | L | 83.3 | Confident | 81.7 | Confident | 114 Ų | 114 | 107.3 Ų | 107.3 | 60% | 0.597 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.2 | -44.3 | 175.6 | -172.6 | 68.9 | 0 | 0 | 0 | 110.5 | A472 R473 L474 E478 K479 V480 | A472-L476 WeakPolarHBondContact O-CB 3.46Å; A472-L476 PolarHBondContact O-N 3.3Å; R473-L476 PolarHBondContact O-N 2.83Å; L474-L476 VanDerWaalsContact C-N 3.31Å; L474-L476 PolarHBondContact O-N 3.18Å; L476-E478 PolarHBondContact O-N 3.47Å; L476-K479 PolarHBondContact O-N 2.77Å; L476-V480 WeakPolarHBondContact O-CB 3.47Å; L476-V480 VanDerWaalsContact O-CG2 3.27Å; L476-V480 WeakPolarHBondContact O-CG2 3.37Å; L476-V480 PolarHBondContact O-N 3.17Å |
| 477 | T | 82.5 | Confident | 80.8 | Confident | 83 Ų | 83 | 108.4 Ų | 108.4 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.5 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | R473 L474 V480 M481 | R473-T477 PolarHBondContact O-N 3.16Å; R473-T477 PolarHBondContact O-OG1 2.88Å; L474-T477 PolarHBondContact O-N 3.3Å; T477-V480 PolarHBondContact O-N 2.86Å; T477-M481 HydrophobicContact CG2-CG 4.36Å; T477-M481 WeakPolarHBondContact O-CB 3.21Å; T477-M481 WeakPolarHBondContact O-CG 3.2Å; T477-M481 PolarHBondContact O-N 2.86Å |
| 478 | E | 80 | Confident | 79.7 | Confident | 129 Ų | 129 | 107.2 Ų | 107.2 | 60% | 0.603 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.2 | -46.3 | 173.3 | -75.8 | 175.6 | 165.2 | 0 | 0 | 111.8 | L474 L476 V480 M481 L482 | L474-E478 WeakPolarHBondContact O-CG 3.05Å; L474-E478 PolarHBondContact O-N 3.16Å; L476-E478 PolarHBondContact O-N 3.47Å; E478-V480 VanDerWaalsContact C-N 3.34Å; E478-V480 PolarHBondContact O-N 3.34Å; E478-M481 PolarHBondContact O-N 2.81Å; E478-L482 VanDerWaalsContact O-CB 3.25Å; E478-L482 WeakPolarHBondContact O-CB 3.19Å; E478-L482 PolarHBondContact O-N 3.06Å |
| 479 | K | 79.7 | Confident | 78.2 | Confident | 151 Ų | 151 | 108.1 Ų | 108.1 | 66% | 0.657 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.4 | -40.1 | 176.3 | -77.1 | -178.8 | 179 | -172.4 | 0 | 112.4 | R475 L476 L482 A483 | R475-K479 WeakPolarHBondContact O-CB 3.42Å; R475-K479 WeakPolarHBondContact O-CG 3.27Å; R475-K479 PolarHBondContact O-N 3.1Å; L476-K479 PolarHBondContact O-N 2.77Å; K479-L482 PolarHBondContact O-N 3.47Å; K479-A483 VanDerWaalsContact O-CB 3.25Å; K479-A483 WeakPolarHBondContact O-CB 3.47Å; K479-A483 PolarHBondContact O-N 3.12Å |
| 480 | V | 80.1 | Confident | 76.4 | Confident | 88 Ų | 88 | 110.8 Ų | 110.8 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.5 | -43.6 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | L476 T477 E478 L482 A483 K484 | L476-V480 WeakPolarHBondContact O-CB 3.47Å; L476-V480 VanDerWaalsContact O-CG2 3.27Å; L476-V480 WeakPolarHBondContact O-CG2 3.37Å; L476-V480 PolarHBondContact O-N 3.17Å; T477-V480 PolarHBondContact O-N 2.86Å; E478-V480 VanDerWaalsContact C-N 3.34Å; E478-V480 PolarHBondContact O-N 3.34Å; V480-L482 VanDerWaalsContact C-N 3.33Å; V480-L482 PolarHBondContact O-N 3.28Å; V480-A483 PolarHBondContact O-N 3.32Å; V480-K484 WeakPolarHBondContact O-CB 3.43Å; V480-K484 PolarHBondContact O-N 2.7Å |
| 481 | M | 79.8 | Confident | 74.5 | Confident | 136 Ų | 136 | 115.7 Ų | 115.7 | 67% | 0.67 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.6 | -42.1 | 174.6 | -72.3 | -106 | -70.9 | 0 | 0 | 111.5 | T477 E478 K485 | T477-M481 HydrophobicContact CG2-CG 4.36Å; T477-M481 WeakPolarHBondContact O-CB 3.21Å; T477-M481 WeakPolarHBondContact O-CG 3.2Å; T477-M481 PolarHBondContact O-N 2.86Å; E478-M481 PolarHBondContact O-N 2.81Å; M481-K485 WeakPolarHBondContact O-CB 3.42Å; M481-K485 PolarHBondContact O-N 2.73Å |
| 482 | L | 75.8 | Confident | 73.9 | Confident | 93 Ų | 93 | 118.3 Ų | 118.3 | 49% | 0.487 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.7 | -46.4 | 177.4 | -162.6 | 80.1 | 0 | 0 | 0 | 111.1 | E478 K479 V480 K484 K485 Y486 | E478-L482 VanDerWaalsContact O-CB 3.25Å; E478-L482 WeakPolarHBondContact O-CB 3.19Å; E478-L482 PolarHBondContact O-N 3.06Å; K479-L482 PolarHBondContact O-N 3.47Å; V480-L482 VanDerWaalsContact C-N 3.33Å; V480-L482 PolarHBondContact O-N 3.28Å; L482-K484 VanDerWaalsContact C-N 3.32Å; L482-K484 PolarHBondContact O-N 3.3Å; L482-K485 PolarHBondContact O-N 2.79Å; L482-Y486 HydrophobicContact CD1-CE2 3.91Å; L482-Y486 HydrophobicContact CD2-CD2 4.45Å; L482-Y486 HydrophobicContact CD2-CE2 3.94Å; L482-Y486 HydrophobicContact CG-CD2 3.87Å; L482-Y486 HydrophobicContact CG-CE2 3.58Å; L482-Y486 WeakPolarHBondContact O-CD2 3.48Å; L482-Y486 PolarHBondContact O-N 3.08Å |
| 483 | A | 74.4 | Confident | 73.4 | Confident | 61 Ų | 61 | 121.4 Ų | 121.4 | 50% | 0.504 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.5 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K479 V480 Y486 S487 | K479-A483 VanDerWaalsContact O-CB 3.25Å; K479-A483 WeakPolarHBondContact O-CB 3.47Å; K479-A483 PolarHBondContact O-N 3.12Å; V480-A483 PolarHBondContact O-N 3.32Å; A483-Y486 PolarHBondContact O-N 2.89Å; A483-S487 PolarHBondContact O-N 3.06Å |
| 484 | K | 76.3 | Confident | 72.6 | Confident | 134 Ų | 134 | 118.3 Ų | 118.3 | 58% | 0.583 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66 | -42.3 | 175.3 | -168.8 | 173.5 | -178.2 | -179.5 | 0 | 112 | V480 L482 Y486 S487 D488 | V480-K484 WeakPolarHBondContact O-CB 3.43Å; V480-K484 PolarHBondContact O-N 2.7Å; L482-K484 VanDerWaalsContact C-N 3.32Å; L482-K484 PolarHBondContact O-N 3.3Å; K484-Y486 VanDerWaalsContact C-N 3.29Å; K484-Y486 PolarHBondContact O-N 3.01Å; K484-S487 PolarHBondContact O-N 3.08Å; K484-S487 PolarHBondContact O-OG 2.9Å; K484-D488 WeakPolarHBondContact O-CB 3.43Å; K484-D488 PolarHBondContact O-N 3.3Å |
| 485 | K | 74 | Confident | 71.9 | Confident | 152 Ų | 152 | 119.9 Ų | 119.9 | 66% | 0.661 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -59.6 | -39.4 | 174.1 | -172.3 | 179.3 | 179.1 | -177.3 | 0 | 112.1 | M481 L482 S489 | M481-K485 WeakPolarHBondContact O-CB 3.42Å; M481-K485 PolarHBondContact O-N 2.73Å; L482-K485 PolarHBondContact O-N 2.79Å; K485-S489 PolarHBondContact O-N 2.73Å; K485-S489 PolarHBondContact O-OG 3.17Å |
| 486 | Y | 68.3 | Low | 71.3 | Confident | 157 Ų | 157 | 116.9 Ų | 116.9 | 62% | 0.616 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75.8 | -31.5 | 175.9 | -76.3 | -67 | 0 | 0 | 0 | 113.9 | L482 A483 K484 S489 | L482-Y486 HydrophobicContact CD1-CE2 3.91Å; L482-Y486 HydrophobicContact CD2-CD2 4.45Å; L482-Y486 HydrophobicContact CD2-CE2 3.94Å; L482-Y486 HydrophobicContact CG-CD2 3.87Å; L482-Y486 HydrophobicContact CG-CE2 3.58Å; L482-Y486 WeakPolarHBondContact O-CD2 3.48Å; L482-Y486 PolarHBondContact O-N 3.08Å; A483-Y486 PolarHBondContact O-N 2.89Å; K484-Y486 VanDerWaalsContact C-N 3.29Å; K484-Y486 PolarHBondContact O-N 3.01Å; Y486-S489 WeakPolarHBondContact CA-OG 3.44Å; Y486-S489 PolarHBondContact O-N 3.42Å; Y486-S489 PolarHBondContact O-OG 3.48Å |
| 487 | S | 68.1 | Low | 70.5 | Confident | 70 Ų | 70 | 117.1 Ų | 117.1 | 49% | 0.49 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.1 | -39.6 | 172.9 | 68.5 | 0 | 0 | 0 | 0 | 112.1 | A483 K484 S489 V490 | A483-S487 PolarHBondContact O-N 3.06Å; K484-S487 PolarHBondContact O-N 3.08Å; K484-S487 PolarHBondContact O-OG 2.9Å; S487-S489 PolarHBondContact O-N 3.46Å; S487-V490 PolarHBondContact O-N 3.08Å |
| 488 | D | 65 | Low | 69.6 | Low | 120 Ų | 120 | 119.6 Ų | 119.6 | 64% | 0.642 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -4.9 | -178.3 | -62.2 | -10 | 0 | 0 | 0 | 112.5 | K484 | K484-D488 WeakPolarHBondContact O-CB 3.43Å; K484-D488 PolarHBondContact O-N 3.3Å |
| 489 | S | 53.4 | Low | 68.8 | Low | 76 Ų | 76 | 118.8 Ų | 118.8 | 53% | 0.531 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.4 | 9.7 | 175.5 | 43.7 | 0 | 0 | 0 | 0 | 114 | K485 Y486 S487 P491 | K485-S489 PolarHBondContact O-N 2.73Å; K485-S489 PolarHBondContact O-OG 3.17Å; Y486-S489 WeakPolarHBondContact CA-OG 3.44Å; Y486-S489 PolarHBondContact O-N 3.42Å; Y486-S489 PolarHBondContact O-OG 3.48Å; S487-S489 PolarHBondContact O-N 3.46Å; S489-P491 WeakPolarHBondContact O-CD 3.05Å |
| 490 | V | 49.5 | Very low | 67.9 | Low | 110 Ų | 110 | 116.2 Ų | 116.2 | 67% | 0.667 | 64% | 0.639 | S | S | * | * | trans | -89.9 | 112.5 | 159.7 | -175.5 | 0 | 0 | 0 | 0 | 106.4 | S487 | S487-V490 PolarHBondContact O-N 3.08Š| ||
| 491 | P | 50.5 | Low | 66.8 | Low | 197 Ų | 197 | 118.7 Ų | 118.7 | 100% | 1.279 | 65% | 0.648 | S | S | * | * | trans | -59.6 | 0 | -174.5 | -20.6 | 31.5 | 0 | 0 | 0 | 114.6 | S489 | S489-P491 WeakPolarHBondContact O-CD 3.05Š|
Retrieved 491 of 491 residues in 405.8 ms
(Link to these results)