| 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 | 43.8 | Very low | 59.7 | Low | 244 Ų | 244 | 114.5 Ų | 114.5 | 100% | 1.202 | 72% | 0.716 | S | S | * | * | 0 | 129.2 | 0 | -93.6 | 62.3 | 170.4 | 0 | 0 | 109.5 | |||||
| 2 | A | 47.3 | Very low | 60.4 | Low | 95 Ų | 95 | 109 Ų | 109 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | trans | -151.5 | 125 | 159.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 3 | P | 52 | Low | 61 | Low | 134 Ų | 134 | 106.9 Ų | 106.9 | 87% | 0.87 | 68% | 0.675 | S | S | * | * | trans | -79.4 | 131.6 | -175.4 | 30.4 | -33.1 | 0 | 0 | 0 | 111.4 | G5 | P3-G5 PolarHBondContact O-N 3.19Å; P3-G5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | S | 58 | Low | 61.4 | Low | 115 Ų | 115 | 106.5 Ų | 106.5 | 80% | 0.804 | 66% | 0.664 | S | S | * | * | trans | -75.3 | 97.5 | 173.6 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | S6 | S4-S6 PolarHBondContact O-N 3.47Š| ||
| 5 | G | 58.4 | Low | 61.8 | Low | 63 Ų | 63 | 104.1 Ų | 104.1 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | trans | -63.5 | 121.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P3 | P3-G5 PolarHBondContact O-N 3.19Å; P3-G5 VanDerWaalsContact O-N 3.14Å | ||
| 6 | S | 66.8 | Low | 61.9 | Low | 71 Ų | 71 | 105.3 Ų | 105.3 | 50% | 0.497 | 65% | 0.648 | S | S | . | * | trans | -74 | 127.2 | -179 | -66.1 | 0 | 0 | 0 | 0 | 111.1 | S4 A8 L9 | S4-S6 PolarHBondContact O-N 3.47Å; S6-A8 PolarHBondContact O-N 2.83Å; S6-A8 VanDerWaalsContact O-N 3.09Å; S6-L9 PolarHBondContact O-N 2.76Å | ||
| 7 | P | 64.1 | Low | 61.8 | Low | 100 Ų | 100 | 106.2 Ų | 106.2 | 65% | 0.649 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -62.9 | -22.6 | -175.1 | 24.2 | -34.1 | 0 | 0 | 0 | 113.6 | L9 H10 L11 | P7-L9 PolarHBondContact O-N 2.94Å; P7-H10 PolarHBondContact O-N 3.03Å; P7-L11 PolarHBondContact O-N 2.72Å |
| 8 | A | 66.3 | Low | 61.7 | Low | 69 Ų | 69 | 107.9 Ų | 107.9 | 57% | 0.57 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -58.1 | -32.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S6 A12 | S6-A8 PolarHBondContact O-N 2.83Å; S6-A8 VanDerWaalsContact O-N 3.09Å; A8-A12 WeakPolarHBondContact O-CB 3.37Å; A8-A12 PolarHBondContact O-N 3.16Å |
| 9 | L | 64.6 | Low | 61.6 | Low | 119 Ų | 119 | 113.8 Ų | 113.8 | 62% | 0.623 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.9 | -41.1 | 176.9 | -84.9 | 163.6 | 0 | 0 | 0 | 111.9 | S6 P7 A12 V13 | S6-L9 PolarHBondContact O-N 2.76Å; P7-L9 PolarHBondContact O-N 2.94Å; L9-A12 PolarHBondContact O-N 3.34Å; L9-V13 WeakPolarHBondContact O-CG2 3.23Å; L9-V13 PolarHBondContact O-N 2.76Å |
| 10 | H | 66.4 | Low | 61.3 | Low | 134 Ų | 134 | 110.9 Ų | 110.9 | 62% | 0.62 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67 | -38.1 | 177.3 | -69 | -78.8 | 0 | 0 | 0 | 111.9 | P7 L14 | P7-H10 PolarHBondContact O-N 3.03Å; H10-L14 WeakPolarHBondContact O-CB 3.38Å; H10-L14 PolarHBondContact O-N 3.15Å |
| 11 | L | 68.6 | Low | 61.3 | Low | 116 Ų | 116 | 108.6 Ų | 108.6 | 61% | 0.607 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.6 | -43.7 | 173.3 | -75.5 | 165.4 | 0 | 0 | 0 | 112.2 | P7 V13 L14 V15 | P7-L11 PolarHBondContact O-N 2.72Å; L11-V13 PolarHBondContact O-N 3.12Å; L11-L14 PolarHBondContact O-N 2.97Å; L11-V15 WeakPolarHBondContact O-CG2 3.41Å; L11-V15 PolarHBondContact O-N 2.87Å |
| 12 | A | 68.6 | Low | 62 | Low | 48 Ų | 48 | 102.2 Ų | 102.2 | 40% | 0.397 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.4 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A8 L9 V15 L16 | A8-A12 WeakPolarHBondContact O-CB 3.37Å; A8-A12 PolarHBondContact O-N 3.16Å; L9-A12 PolarHBondContact O-N 3.34Å; A12-V15 PolarHBondContact O-N 3.15Å; A12-L16 WeakPolarHBondContact O-CB 3.15Å; A12-L16 WeakPolarHBondContact O-CG 3.37Å; A12-L16 PolarHBondContact O-N 3.35Å |
| 13 | V | 68.1 | Low | 62.3 | Low | 82 Ų | 82 | 108.7 Ų | 108.7 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.9 | -41.2 | 175.2 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | L9 L11 L16 L17 | L9-V13 WeakPolarHBondContact O-CG2 3.23Å; L9-V13 PolarHBondContact O-N 2.76Å; L11-V13 PolarHBondContact O-N 3.12Å; V13-L16 PolarHBondContact O-N 2.87Å; V13-L17 HydrophobicContact CG1-CD1 3.92Å; V13-L17 HydrophobicContact CG1-CG 4.44Å; V13-L17 WeakPolarHBondContact O-CB 3.32Å; V13-L17 VanDerWaalsContact O-CG 3.3Å; V13-L17 WeakPolarHBondContact O-CG 3.38Å; V13-L17 PolarHBondContact O-N 3.19Å |
| 14 | L | 66.6 | Low | 62.1 | Low | 101 Ų | 101 | 108.5 Ų | 108.5 | 53% | 0.529 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.3 | -43.1 | 175.2 | -97.2 | 162.4 | 0 | 0 | 0 | 112.7 | H10 L11 L17 L18 | H10-L14 WeakPolarHBondContact O-CB 3.38Å; H10-L14 PolarHBondContact O-N 3.15Å; L11-L14 PolarHBondContact O-N 2.97Å; L14-L17 PolarHBondContact O-N 2.92Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 2.65Å |
| 15 | V | 67.4 | Low | 61.9 | Low | 70 Ų | 70 | 110.7 Ų | 110.7 | 42% | 0.424 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.6 | -40.5 | 176.7 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | L11 A12 L18 W19 | L11-V15 WeakPolarHBondContact O-CG2 3.41Å; L11-V15 PolarHBondContact O-N 2.87Å; A12-V15 PolarHBondContact O-N 3.15Å; V15-L18 PolarHBondContact O-N 3.31Å; V15-W19 HydrophobicContact CG1-CD2 4.4Å; V15-W19 HydrophobicContact CG1-CE3 3.6Å; V15-W19 HydrophobicContact CG1-CH2 4.39Å; V15-W19 HydrophobicContact CG1-CZ3 3.6Å; V15-W19 PolarHBondContact O-N 3.29Å |
| 16 | L | 63.1 | Low | 61.3 | Low | 123 Ų | 123 | 110.6 Ų | 110.6 | 64% | 0.644 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.2 | -36.5 | 175 | -76.1 | 166.8 | 0 | 0 | 0 | 112.7 | A12 V13 G20 | A12-L16 WeakPolarHBondContact O-CB 3.15Å; A12-L16 WeakPolarHBondContact O-CG 3.37Å; A12-L16 PolarHBondContact O-N 3.35Å; V13-L16 PolarHBondContact O-N 2.87Å; L16-G20 WeakPolarHBondContact O-CA 3.5Å; L16-G20 PolarHBondContact O-N 3.47Å |
| 17 | L | 60.8 | Low | 60.7 | Low | 122 Ų | 122 | 116.8 Ų | 116.8 | 64% | 0.639 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.5 | -33 | 174.2 | -72.4 | 168.7 | 0 | 0 | 0 | 112.5 | V13 L14 | V13-L17 HydrophobicContact CG1-CD1 3.92Å; V13-L17 HydrophobicContact CG1-CG 4.44Å; V13-L17 WeakPolarHBondContact O-CB 3.32Å; V13-L17 VanDerWaalsContact O-CG 3.3Å; V13-L17 WeakPolarHBondContact O-CG 3.38Å; V13-L17 PolarHBondContact O-N 3.19Å; L14-L17 PolarHBondContact O-N 2.92Å |
| 18 | L | 59.8 | Low | 60.4 | Low | 137 Ų | 137 | 122.8 Ų | 122.8 | 72% | 0.717 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -76 | -31.8 | 177.7 | -73 | 166.8 | 0 | 0 | 0 | 113.4 | L14 V15 | L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 2.65Å; V15-L18 PolarHBondContact O-N 3.31Å |
| 19 | W | 59.3 | Low | 60.4 | Low | 219 Ų | 219 | 122.6 Ų | 122.6 | 83% | 0.83 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -85.4 | -19.4 | 169.8 | -84.6 | -36.7 | 0 | 0 | 0 | 114 | V15 A21 | V15-W19 HydrophobicContact CG1-CD2 4.4Å; V15-W19 HydrophobicContact CG1-CE3 3.6Å; V15-W19 HydrophobicContact CG1-CH2 4.39Å; V15-W19 HydrophobicContact CG1-CZ3 3.6Å; V15-W19 PolarHBondContact O-N 3.29Å; W19-A21 VanDerWaalsContact C-N 3.3Å; W19-A21 PolarHBondContact O-N 3.15Å |
| 20 | G | 56.6 | Low | 61.5 | Low | 56 Ų | 56 | 120.7 Ų | 120.7 | 58% | 0.577 | 63% | 0.631 | S | S | * | * | trans | -78.9 | -5.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L16 P22 | L16-G20 WeakPolarHBondContact O-CA 3.5Å; L16-G20 PolarHBondContact O-N 3.47Å; G20-P22 WeakPolarHBondContact O-CD 3.21Å | ||
| 21 | A | 60.7 | Low | 62.9 | Low | 63 Ų | 63 | 114.5 Ų | 114.5 | 52% | 0.521 | 60% | 0.603 | S | S | . | * | trans | -67.2 | 113.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | W19 W23 | W19-A21 VanDerWaalsContact C-N 3.3Å; W19-A21 PolarHBondContact O-N 3.15Å; A21-W23 PolarHBondContact O-N 3.35Å | ||
| 22 | P | 58.4 | Low | 64.2 | Low | 110 Ų | 110 | 114.8 Ų | 114.8 | 71% | 0.714 | 60% | 0.596 | S | S | * | * | trans | -63.3 | 129.2 | 175.7 | -16.9 | 31.4 | 0 | 0 | 0 | 108.6 | G20 T24 | G20-P22 WeakPolarHBondContact O-CD 3.21Å; P22-T24 PolarHBondContact O-N 3.43Å | ||
| 23 | W | 53.1 | Low | 65.6 | Low | 230 Ų | 230 | 116.7 Ų | 116.7 | 87% | 0.871 | 60% | 0.602 | S | S | * | * | trans | -65.7 | 91.7 | 166 | -85.5 | 25.4 | 0 | 0 | 0 | 108.4 | A21 H25 | A21-W23 PolarHBondContact O-N 3.35Å; W23-H25 AromaticContact CE3-CE1 3.99Å; W23-H25 PolarHBondContact O-N 3.33Å | ||
| 24 | T | 49.3 | Very low | 67 | Low | 131 Ų | 131 | 112.8 Ų | 112.8 | 80% | 0.804 | 58% | 0.579 | S | S | * | * | trans | -65.9 | 83.5 | 166.7 | 49.9 | 0 | 0 | 0 | 0 | 108.1 | P22 G26 | P22-T24 PolarHBondContact O-N 3.43Å; T24-G26 PolarHBondContact O-N 2.85Å | ||
| 25 | H | 52.8 | Low | 68.4 | Low | 160 Ų | 160 | 109.4 Ų | 109.4 | 74% | 0.741 | 56% | 0.562 | S | S | * | * | trans | -56.2 | 93.9 | 156.9 | -94.2 | 72.1 | 0 | 0 | 0 | 106.7 | W23 R27 | W23-H25 AromaticContact CE3-CE1 3.99Å; W23-H25 PolarHBondContact O-N 3.33Å; H25-R27 PolarHBondContact O-N 2.91Å; H25-R27 VanDerWaalsContact O-N 3.1Å | ||
| 26 | G | 46.4 | Very low | 69.7 | Low | 61 Ų | 61 | 107.3 Ų | 107.3 | 63% | 0.629 | 55% | 0.548 | S | S | * | . | trans | -54.4 | 118.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | T24 R28 | T24-G26 PolarHBondContact O-N 2.85Å; G26-R28 PolarHBondContact O-N 2.94Å | ||
| 27 | R | 53.8 | Low | 71.1 | Confident | 201 Ų | 201 | 107.5 Ų | 107.5 | 76% | 0.758 | 55% | 0.546 | S | S | * | . | trans | -55.1 | 112 | 177.9 | -178.1 | 179.8 | -65.4 | -171.4 | 1.3 | 106.4 | H25 S29 E71 | H25-R27 PolarHBondContact O-N 2.91Å; H25-R27 VanDerWaalsContact O-N 3.1Å; R27-S29 PolarHBondContact O-N 3.44Å; R27-E71 IonicContact CZ-OE1 2.76Å; R27-E71 IonicContact NH1-OE1 2.72Å; R27-E71 PolarHBondContact NH1-OE1 3.32Å | ||
| 28 | R | 56.7 | Low | 72.8 | Confident | 226 Ų | 226 | 103.7 Ų | 103.7 | 85% | 0.853 | 53% | 0.526 | S | S | * | . | trans | -60.7 | 127.4 | 174 | -66.3 | -177.2 | -179.1 | -179.3 | 0.6 | 106.3 | G26 N30 | G26-R28 PolarHBondContact O-N 2.94Å; R28-N30 PolarHBondContact O-N 2.9Å | ||
| 29 | S | 66.3 | Low | 74.5 | Confident | 66 Ų | 66 | 98.2 Ų | 98.2 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | trans | -64.7 | 126.2 | 173.4 | 54.5 | 0 | 0 | 0 | 0 | 108.6 | R27 V31 | R27-S29 PolarHBondContact O-N 3.44Å; S29-V31 PolarHBondContact O-N 3.3Å; S29-V31 VanDerWaalsContact O-N 3.14Å | ||
| 30 | N | 88.1 | Confident | 76.2 | Confident | 78 Ų | 78 | 95.2 Ų | 95.2 | 42% | 0.417 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -63.1 | -15.6 | 172.8 | -71.3 | 10.1 | 0 | 0 | 0 | 112.3 | R28 R32 A70 | R28-N30 PolarHBondContact O-N 2.9Å; N30-R32 PolarHBondContact O-N 2.96Å; N30-A70 HydrophobicContact CB-CB 3.81Å; N30-A70 WeakPolarHBondContact CB-O 3.24Å; N30-A70 PolarHBondContact ND2-O 2.94Å |
| 31 | V | 96.1 | Very high | 78.1 | Confident | 5 Ų | 5 | 96.3 Ų | 96.3 | 3% | 0.03 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 116.2 | 171.5 | -169 | 0 | 0 | 0 | 0 | 110.6 | S29 E67 A70 V80 K82 | S29-V31 PolarHBondContact O-N 3.3Å; S29-V31 VanDerWaalsContact O-N 3.14Å; V31-E67 HydrophobicContact CG2-CG 4.18Å; V31-A70 HydrophobicContact CG2-CB 3.48Å; V31-A70 VanDerWaalsContact CG2-CB 3.48Å; V31-V80 CarbonylContact C-O 3.56Å; V31-V80 WeakPolarHBondContact CA-O 3.34Å; V31-V80 HydrophobicContact CG2-CG1 4.31Å; V31-K82 HydrophobicContact CG1-CB 3.88Å; V31-K82 HydrophobicContact CG1-CD 3.87Å; V31-K82 HydrophobicContact CG1-CG 3.7Å |
| 32 | R | 96.3 | Very high | 79.8 | Confident | 122 Ų | 122 | 93.3 Ų | 93.3 | 46% | 0.46 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 149.6 | 170.7 | -65.8 | -177.1 | 179.5 | -141.2 | 7.6 | 111.5 | N30 E41 W47 V80 A81 K82 | N30-R32 PolarHBondContact O-N 2.96Å; R32-E41 IonicContact NH1-OE2 3.91Å; R32-E41 PolarHBondContact NH1-OE2 3.06Å; R32-W47 HydrophobicContact CB-CZ3 4.43Å; R32-V80 PolarHBondContact N-O 3.22Å; R32-A81 CarbonylContact O-C 3.58Å; R32-A81 VanDerWaalsContact O-CA 3.23Å; R32-A81 WeakPolarHBondContact O-CA 3.37Å; R32-K82 PolarHBondContact O-N 2.86Å |
| 33 | V | 97.1 | Very high | 81.5 | Confident | 87 Ų | 87 | 90.9 Ų | 90.9 | 53% | 0.527 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.9 | 171.7 | -179.4 | 0 | 0 | 0 | 0 | 109 | T35 N38 | V33-T35 HydrophobicContact CG1-CG2 4.36Å; V33-N38 PolarHBondContact O-ND2 3.14Å |
| 34 | I | 97.6 | Very high | 83.5 | Confident | 1 Ų | 1 | 87.3 Ų | 87.3 | 1% | 0.005 | 42% | 0.424 | C | S | . | . | trans | -115.7 | 135.4 | -178.9 | -63.1 | -69.6 | 0 | 0 | 0 | 110.5 | N38 W39 L42 W47 A81 K82 V83 L91 | I34-N38 VanDerWaalsContact CA-OD1 3.32Å; I34-N38 WeakPolarHBondContact CA-OD1 3.36Å; I34-W39 HydrophobicContact CG2-CB 3.88Å; I34-L42 HydrophobicContact CD1-CD2 4.05Å; I34-L42 HydrophobicContact CD1-CG 4.42Å; I34-L42 HydrophobicContact CG1-CD2 4.11Å; I34-L42 HydrophobicContact CG2-CD1 3.99Å; I34-L42 HydrophobicContact CG2-CG 4.37Å; I34-W47 HydrophobicContact CD1-CH2 4.45Å; I34-W47 HydrophobicContact CD1-CZ3 4.17Å; I34-A81 HydrophobicContact CG1-CB 3.82Å; I34-K82 PolarHBondContact N-O 2.8Å; I34-V83 HydrophobicContact CB-CG2 3.8Å; I34-V83 HydrophobicContact CG2-CG2 4Å; I34-L91 HydrophobicContact CG2-CD1 3.93Å | ||
| 35 | T | 97.2 | Very high | 85.7 | Confident | 29 Ų | 29 | 82.5 Ų | 82.5 | 18% | 0.178 | 40% | 0.4 | C | S | . | . | trans | -134.1 | 169.2 | -171.2 | 69.6 | 0 | 0 | 0 | 0 | 111.9 | V33 E37 N38 W39 Q88 | V33-T35 HydrophobicContact CG1-CG2 4.36Å; T35-E37 WeakPolarHBondContact CB-OE2 3.5Å; T35-E37 PolarHBondContact O-N 3.12Å; T35-E37 VanDerWaalsContact O-N 3.09Å; T35-E37 PolarHBondContact OG1-OE2 3.02Å; T35-N38 PolarHBondContact N-OD1 2.66Å; T35-N38 PolarHBondContact O-N 2.99Å; T35-N38 PolarHBondContact O-OD1 2.88Å; T35-W39 PolarHBondContact O-N 3.43Å; T35-W39 VanDerWaalsContact O-N 3.11Å; T35-Q88 VanDerWaalsContact CA-OE1 3.25Å | ||
| 36 | D | 93.8 | Very high | 87.8 | Confident | 26 Ų | 26 | 75.6 Ų | 75.6 | 14% | 0.139 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -18.7 | 178.7 | -91.6 | -39 | 0 | 0 | 0 | 113.7 | W39 G90 L91 Q157 | D36-W39 PolarHBondContact O-NE1 3.15Å; D36-G90 VanDerWaalsContact OD1-CA 3.23Å; D36-G90 WeakPolarHBondContact OD1-CA 3.32Å; D36-G90 WeakPolarHBondContact OD2-CA 3.39Å; D36-G90 PolarHBondContact OD2-N 3.31Å; D36-L91 WeakPolarHBondContact OD1-CD2 3.16Å; D36-L91 WeakPolarHBondContact OD1-CG 3.46Å; D36-L91 PolarHBondContact OD1-N 3.11Å; D36-Q157 PolarHBondContact OD2-NE2 2.79Å |
| 37 | E | 93.9 | Very high | 90.3 | Very high | 128 Ų | 128 | 73.1 Ų | 73.1 | 60% | 0.598 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -45.3 | 174.1 | -55.7 | 74.6 | -158.3 | 0 | 0 | 113.6 | T35 R40 | T35-E37 WeakPolarHBondContact CB-OE2 3.5Å; T35-E37 PolarHBondContact O-N 3.12Å; T35-E37 VanDerWaalsContact O-N 3.09Å; T35-E37 PolarHBondContact OG1-OE2 3.02Å; E37-R40 PolarHBondContact O-NH2 3.06Å |
| 38 | N | 96.2 | Very high | 92.4 | Very high | 42 Ų | 42 | 63.5 Ų | 63.5 | 23% | 0.225 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -9 | -165.5 | 82.3 | -11.8 | 0 | 0 | 0 | 115.5 | V33 I34 T35 R40 E41 | V33-N38 PolarHBondContact O-ND2 3.14Å; I34-N38 VanDerWaalsContact CA-OD1 3.32Å; I34-N38 WeakPolarHBondContact CA-OD1 3.36Å; T35-N38 PolarHBondContact N-OD1 2.66Å; T35-N38 PolarHBondContact O-N 2.99Å; T35-N38 PolarHBondContact O-OD1 2.88Å; N38-R40 PolarHBondContact O-N 3.35Å; N38-E41 WeakPolarHBondContact O-CB 3.44Å; N38-E41 WeakPolarHBondContact O-CG 3.33Å; N38-E41 PolarHBondContact O-N 2.88Å |
| 39 | W | 95.7 | Very high | 94.3 | Very high | 22 Ų | 22 | 52.8 Ų | 52.8 | 8% | 0.083 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -51.6 | -16.9 | -177.7 | 71.4 | -85.9 | 0 | 0 | 0 | 116.3 | I34 T35 D36 E41 L42 L43 L91 R94 P144 | I34-W39 HydrophobicContact CG2-CB 3.88Å; T35-W39 PolarHBondContact O-N 3.43Å; T35-W39 VanDerWaalsContact O-N 3.11Å; D36-W39 PolarHBondContact O-NE1 3.15Å; W39-E41 PolarHBondContact O-N 3.36Å; W39-L42 WeakPolarHBondContact O-CB 3.27Å; W39-L42 WeakPolarHBondContact O-CG 3.41Å; W39-L42 PolarHBondContact O-N 3.37Å; W39-L43 HydrophobicContact CZ3-CD1 4.11Å; W39-L43 HydrophobicContact CZ3-CD2 4.28Å; W39-L43 HydrophobicContact CZ3-CG 4.37Å; W39-L91 HydrophobicContact CB-CD1 4.48Å; W39-L91 HydrophobicContact CB-CD2 3.6Å; W39-L91 HydrophobicContact CG-CD2 3.67Å; W39-R94 VanDerWaalsContact CZ2-CZ 3.41Å; W39-P144 HydrophobicContact CZ3-CB 4.42Å |
| 40 | R | 95.2 | Very high | 95.9 | Very high | 155 Ų | 155 | 49.7 Ų | 49.7 | 59% | 0.585 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -63.6 | -23.2 | 172.2 | -73.4 | 169.4 | -70.9 | -161.6 | -5.4 | 113 | E37 N38 L42 L43 | E37-R40 PolarHBondContact O-NH2 3.06Å; N38-R40 PolarHBondContact O-N 3.35Å; R40-L42 PolarHBondContact O-N 3.16Å; R40-L43 HydrophobicContact CB-CD1 4.4Å; R40-L43 HydrophobicContact CG-CD1 4.29Å; R40-L43 WeakPolarHBondContact O-CB 3.49Å; R40-L43 PolarHBondContact O-N 3.21Å |
| 41 | E | 95.6 | Very high | 96.3 | Very high | 80 Ų | 80 | 46 Ų | 46 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -54.4 | -31.8 | 168.4 | -72.6 | 179.7 | -133.5 | 0 | 0 | 111.6 | R32 N38 W39 L43 E44 W47 | R32-E41 IonicContact NH1-OE2 3.91Å; R32-E41 PolarHBondContact NH1-OE2 3.06Å; N38-E41 WeakPolarHBondContact O-CB 3.44Å; N38-E41 WeakPolarHBondContact O-CG 3.33Å; N38-E41 PolarHBondContact O-N 2.88Å; W39-E41 PolarHBondContact O-N 3.36Å; E41-L43 PolarHBondContact O-N 3.02Å; E41-L43 VanDerWaalsContact O-N 3.16Å; E41-E44 PolarHBondContact O-N 2.8Å; E41-W47 HydrophobicContact CB-CH2 4.14Å; E41-W47 HydrophobicContact CB-CZ2 3.89Å; E41-W47 PolarHBondContact O-NE1 3.3Å |
| 42 | L | 95.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -68.7 | -8.2 | 177.7 | -55.3 | 179.6 | 0 | 0 | 0 | 114.2 | I34 W39 R40 W47 I49 F95 C106 F111 | I34-L42 HydrophobicContact CD1-CD2 4.05Å; I34-L42 HydrophobicContact CD1-CG 4.42Å; I34-L42 HydrophobicContact CG1-CD2 4.11Å; I34-L42 HydrophobicContact CG2-CD1 3.99Å; I34-L42 HydrophobicContact CG2-CG 4.37Å; W39-L42 WeakPolarHBondContact O-CB 3.27Å; W39-L42 WeakPolarHBondContact O-CG 3.41Å; W39-L42 PolarHBondContact O-N 3.37Å; R40-L42 PolarHBondContact O-N 3.16Å; L42-W47 HydrophobicContact CD2-CB 4.14Å; L42-W47 HydrophobicContact CD2-CD2 3.51Å; L42-W47 HydrophobicContact CD2-CE3 3.41Å; L42-W47 VanDerWaalsContact CD2-CE3 3.41Å; L42-W47 HydrophobicContact CD2-CG 3.85Å; L42-W47 HydrophobicContact CD2-CZ3 3.94Å; L42-I49 HydrophobicContact CD1-CD1 3.69Å; L42-I49 HydrophobicContact CD1-CG1 4.15Å; L42-I49 HydrophobicContact CD2-CD1 3.9Å; L42-I49 HydrophobicContact CD2-CG1 3.8Å; L42-I49 HydrophobicContact CG-CD1 4.26Å; L42-F95 HydrophobicContact CD1-CZ 4.09Å; L42-C106 PolarHBondContact O-SG 2.99Å; L42-F111 HydrophobicContact CB-CE1 4.27Å; L42-F111 HydrophobicContact CB-CZ 4.14Å |
| 43 | L | 94.3 | Very high | 96.5 | Very high | 59 Ų | 59 | 41.4 Ų | 41.4 | 31% | 0.309 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -86.7 | -9.5 | -179.9 | -58.3 | 176.4 | 0 | 0 | 0 | 112.7 | W39 R40 E41 D108 G109 F111 | W39-L43 HydrophobicContact CZ3-CD1 4.11Å; W39-L43 HydrophobicContact CZ3-CD2 4.28Å; W39-L43 HydrophobicContact CZ3-CG 4.37Å; R40-L43 HydrophobicContact CB-CD1 4.4Å; R40-L43 HydrophobicContact CG-CD1 4.29Å; R40-L43 WeakPolarHBondContact O-CB 3.49Å; R40-L43 PolarHBondContact O-N 3.21Å; E41-L43 PolarHBondContact O-N 3.02Å; E41-L43 VanDerWaalsContact O-N 3.16Å; L43-D108 CarbonylContact O-C 3.27Å; L43-D108 VanDerWaalsContact O-C 3.27Å; L43-G109 PolarHBondContact O-N 2.96Å; L43-F111 HydrophobicContact CD2-CE2 3.84Å; L43-F111 HydrophobicContact CD2-CZ 4.04Å |
| 44 | E | 94.7 | Very high | 96.5 | Very high | 155 Ų | 155 | 40.4 Ų | 40.4 | 72% | 0.724 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -126.6 | 125 | -173.5 | -63.8 | 178.1 | -158.1 | 0 | 0 | 110.1 | E41 W47 | E41-E44 PolarHBondContact O-N 2.8Å; E44-W47 PolarHBondContact O-NE1 2.93Å |
| 45 | G | 95.5 | Very high | 96.4 | Very high | 29 Ų | 29 | 48.4 Ų | 48.4 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 80.3 | -163.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K107 D108 | G45-K107 WeakPolarHBondContact O-CA 3.24Å; G45-D108 WeakPolarHBondContact CA-OD1 3.47Å; G45-D108 PolarHBondContact N-OD1 3.29Å; G45-D108 PolarHBondContact O-N 3.23Å |
| 46 | D | 97.6 | Very high | 96.4 | Very high | 15 Ų | 15 | 47.7 Ų | 47.7 | 8% | 0.08 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 131.6 | -176.4 | -149.8 | -50.6 | 0 | 0 | 0 | 111.5 | V78 N79 H105 K107 | D46-V78 HydrophobicContact CB-CG2 4.33Å; D46-V78 WeakPolarHBondContact OD1-CG2 3.4Å; D46-N79 WeakPolarHBondContact O-CB 3.5Å; D46-N79 PolarHBondContact O-N 2.98Å; D46-N79 PolarHBondContact O-ND2 2.95Å; D46-H105 IonicContact OD1-CD2 3.69Å; D46-H105 IonicContact OD1-NE2 2.63Å; D46-K107 WeakPolarHBondContact OD2-CD 3.41Å; D46-K107 IonicContact OD2-NZ 3.2Å; D46-K107 PolarHBondContact OD2-NZ 3.37Å |
| 47 | W | 98 | Very high | 96.6 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 3% | 0.034 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 131.3 | -172 | -69.6 | 86.8 | 0 | 0 | 0 | 112.8 | R32 I34 E41 L42 E44 I49 N79 A81 H105 C106 | R32-W47 HydrophobicContact CB-CZ3 4.43Å; I34-W47 HydrophobicContact CD1-CH2 4.45Å; I34-W47 HydrophobicContact CD1-CZ3 4.17Å; E41-W47 HydrophobicContact CB-CH2 4.14Å; E41-W47 HydrophobicContact CB-CZ2 3.89Å; E41-W47 PolarHBondContact O-NE1 3.3Å; L42-W47 HydrophobicContact CD2-CB 4.14Å; L42-W47 HydrophobicContact CD2-CD2 3.51Å; L42-W47 HydrophobicContact CD2-CE3 3.41Å; L42-W47 VanDerWaalsContact CD2-CE3 3.41Å; L42-W47 HydrophobicContact CD2-CG 3.85Å; L42-W47 HydrophobicContact CD2-CZ3 3.94Å; E44-W47 PolarHBondContact O-NE1 2.93Å; W47-I49 HydrophobicContact CB-CD1 4.4Å; W47-I49 HydrophobicContact CB-CG1 4.29Å; W47-N79 CarbonylContact C-O 3.56Å; W47-N79 VanDerWaalsContact CA-O 3.3Å; W47-N79 WeakPolarHBondContact CA-O 3.32Å; W47-N79 HydrophobicContact CD2-CB 3.52Å; W47-N79 HydrophobicContact CE3-CB 3.37Å; W47-N79 HydrophobicContact CG-CB 4.16Å; W47-N79 HydrophobicContact CH2-CB 4.08Å; W47-N79 HydrophobicContact CZ2-CB 4.17Å; W47-N79 HydrophobicContact CZ3-CB 3.69Å; W47-A81 HydrophobicContact CE3-CB 4.01Å; W47-A81 HydrophobicContact CZ3-CB 4.12Å; W47-H105 CarbonylContact O-C 3.5Å; W47-H105 WeakPolarHBondContact O-CA 3.19Å; W47-C106 HydrophobicContact CB-CB 4.28Å; W47-C106 PolarHBondContact N-O 2.91Å; W47-C106 PolarHBondContact O-N 3.44Å |
| 48 | M | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122 | 166.6 | -80.7 | -74.4 | -80.2 | 0 | 0 | 109.6 | W66 F69 V78 N79 V80 A81 I103 H105 F123 F126 I127 | M48-W66 HydrophobicContact CB-CH2 3.87Å; M48-W66 HydrophobicContact CB-CZ2 4.26Å; M48-W66 HydrophobicContact CE-CH2 4.06Å; M48-W66 HydrophobicContact CE-CZ3 4.11Å; M48-W66 WeakPolarHBondContact O-CZ2 3.34Å; M48-F69 HydrophobicContact CB-CE1 3.79Å; M48-F69 HydrophobicContact CB-CZ 4.24Å; M48-F69 HydrophobicContact CE-CE1 4.18Å; M48-F69 HydrophobicContact CE-CZ 4.41Å; M48-F69 HydrophobicContact CG-CE1 4.02Å; M48-F69 HydrophobicContact CG-CZ 4.02Å; M48-V78 HydrophobicContact CB-CG2 4.41Å; M48-V78 HydrophobicContact CG-CG2 4.03Å; M48-N79 PolarHBondContact N-O 3.13Å; M48-V80 CarbonylContact O-C 3.49Å; M48-V80 WeakPolarHBondContact O-CA 3.26Å; M48-A81 PolarHBondContact O-N 3.42Å; M48-I103 HydrophobicContact CE-CG2 4.09Å; M48-H105 HydrophobicContact SD-CB 3.79Å; M48-F123 HydrophobicContact CE-CD1 3.8Å; M48-F123 HydrophobicContact CE-CE1 4.42Å; M48-F123 HydrophobicContact CE-CG 4.4Å; M48-F126 HydrophobicContact CE-CD1 4.25Å; M48-F126 HydrophobicContact CE-CE1 4.47Å; M48-F126 HydrophobicContact SD-CD1 4.21Å; M48-F126 HydrophobicContact SD-CE1 3.97Å; M48-I127 HydrophobicContact CG-CD1 3.84Å; M48-I127 HydrophobicContact CG-CG1 4.38Å; M48-I127 HydrophobicContact SD-CD1 4.21Å |
| 49 | I | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 119.6 | -168.1 | -50.5 | 142.6 | 0 | 0 | 0 | 109.4 | L42 W47 F51 A81 V83 I103 Y104 C106 F111 | L42-I49 HydrophobicContact CD1-CD1 3.69Å; L42-I49 HydrophobicContact CD1-CG1 4.15Å; L42-I49 HydrophobicContact CD2-CD1 3.9Å; L42-I49 HydrophobicContact CD2-CG1 3.8Å; L42-I49 HydrophobicContact CG-CD1 4.26Å; W47-I49 HydrophobicContact CB-CD1 4.4Å; W47-I49 HydrophobicContact CB-CG1 4.29Å; I49-F51 HydrophobicContact CB-CE2 4.42Å; I49-F51 HydrophobicContact CG2-CD2 4.21Å; I49-F51 HydrophobicContact CG2-CE2 3.68Å; I49-F51 HydrophobicContact CG2-CZ 4.11Å; I49-A81 HydrophobicContact CG1-CB 4.37Å; I49-V83 HydrophobicContact CG2-CG2 4.07Å; I49-I103 WeakPolarHBondContact O-CA 3.3Å; I49-Y104 PolarHBondContact N-O 2.97Å; I49-Y104 PolarHBondContact O-N 3.5Å; I49-C106 HydrophobicContact CD1-CB 4.25Å; I49-F111 HydrophobicContact CD1-CD1 4.46Å; I49-F111 HydrophobicContact CD1-CE1 4.07Å |
| 50 | E | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 140.1 | 164.8 | 76.9 | 170.8 | 179.6 | 0 | 0 | 111.5 | Y52 L62 W66 A81 K82 V83 I103 | E50-Y52 HydrophobicContact CG-CD1 4.3Å; E50-L62 VanDerWaalsContact OE2-CD2 3.26Å; E50-L62 WeakPolarHBondContact OE2-CD2 3.45Å; E50-W66 HydrophobicContact CB-CD2 4.24Å; E50-W66 HydrophobicContact CB-CH2 4.43Å; E50-W66 HydrophobicContact CB-CZ2 3.88Å; E50-W66 VanDerWaalsContact CD-CD1 3.47Å; E50-W66 HydrophobicContact CG-CD2 4.38Å; E50-W66 HydrophobicContact CG-CG 4.37Å; E50-W66 HydrophobicContact CG-CZ2 4.4Å; E50-W66 VanDerWaalsContact N-CZ2 3.31Å; E50-A81 PolarHBondContact N-O 3.11Å; E50-K82 HydrophobicContact CG-CB 3.59Å; E50-K82 CarbonylContact O-C 3.56Å; E50-K82 WeakPolarHBondContact O-CA 3.32Å; E50-V83 PolarHBondContact O-N 2.79Å; E50-I103 HydrophobicContact CB-CG1 4.28Å |
| 51 | F | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 116.9 | 164.6 | -68.1 | -96.8 | 0 | 0 | 0 | 107.6 | I49 V83 V85 F95 I97 L100 P101 T102 Y104 | I49-F51 HydrophobicContact CB-CE2 4.42Å; I49-F51 HydrophobicContact CG2-CD2 4.21Å; I49-F51 HydrophobicContact CG2-CE2 3.68Å; I49-F51 HydrophobicContact CG2-CZ 4.11Å; F51-V83 HydrophobicContact CD1-CB 3.66Å; F51-V83 HydrophobicContact CD1-CG1 3.68Å; F51-V83 HydrophobicContact CD1-CG2 4.22Å; F51-V83 HydrophobicContact CE1-CB 3.82Å; F51-V83 HydrophobicContact CE1-CG1 3.76Å; F51-V83 HydrophobicContact CE1-CG2 3.89Å; F51-V83 HydrophobicContact CG-CB 4.33Å; F51-V83 HydrophobicContact CZ-CG2 4.25Å; F51-V85 HydrophobicContact CB-CG1 4.08Å; F51-V85 HydrophobicContact CD1-CG1 4.13Å; F51-F95 HydrophobicContact CE1-CB 4.16Å; F51-F95 AromaticContact CE1-CD2 4Å; F51-F95 HydrophobicContact CE1-CD2 4Å; F51-F95 HydrophobicContact CE1-CG 4.03Å; F51-F95 HydrophobicContact CE2-CD1 4.06Å; F51-F95 HydrophobicContact CE2-CE1 4.4Å; F51-F95 HydrophobicContact CE2-CG 4.24Å; F51-F95 HydrophobicContact CZ-CB 3.92Å; F51-F95 AromaticContact CZ-CD1 3.65Å; F51-F95 HydrophobicContact CZ-CD1 3.65Å; F51-F95 AromaticContact CZ-CD2 3.64Å; F51-F95 HydrophobicContact CZ-CD2 3.64Å; F51-F95 AromaticContact CZ-CE1 3.98Å; F51-F95 HydrophobicContact CZ-CE1 3.98Å; F51-F95 AromaticContact CZ-CE2 3.99Å; F51-F95 HydrophobicContact CZ-CE2 3.99Å; F51-F95 AromaticContact CZ-CG 3.46Å; F51-F95 HydrophobicContact CZ-CG 3.46Å; F51-F95 VanDerWaalsContact CZ-CG 3.46Å; F51-F95 HydrophobicContact CZ-CZ 4.15Å; F51-I97 HydrophobicContact CB-CD1 4.04Å; F51-I97 HydrophobicContact CB-CG1 4.2Å; F51-I97 HydrophobicContact CB-CG2 4.16Å; F51-I97 HydrophobicContact CD1-CD1 3.75Å; F51-I97 HydrophobicContact CD1-CG1 3.57Å; F51-I97 HydrophobicContact CD2-CD1 3.71Å; F51-I97 HydrophobicContact CD2-CG1 4.46Å; F51-I97 HydrophobicContact CE1-CD1 4.07Å; F51-I97 HydrophobicContact CE1-CG1 4Å; F51-I97 HydrophobicContact CE2-CD1 4.06Å; F51-I97 HydrophobicContact CG-CD1 3.54Å; F51-I97 HydrophobicContact CG-CG1 3.82Å; F51-I97 HydrophobicContact CZ-CD1 4.23Å; F51-L100 HydrophobicContact CB-CD2 4.44Å; F51-L100 WeakPolarHBondContact O-CD2 3.47Å; F51-P101 WeakPolarHBondContact O-CA 3.34Å; F51-T102 PolarHBondContact N-O 3.37Å; F51-T102 PolarHBondContact O-N 3.4Å; F51-Y104 HydrophobicContact CD2-CD2 4.1Å; F51-Y104 AromaticContact CE2-CD2 3.8Å; F51-Y104 HydrophobicContact CE2-CD2 3.8Å |
| 52 | Y | 98.3 | Very high | 97.1 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 12% | 0.122 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 168.2 | -172.5 | 83.2 | -87.3 | 0 | 0 | 0 | 111.5 | E50 K82 V83 D84 V85 | E50-Y52 HydrophobicContact CG-CD1 4.3Å; Y52-K82 HydrophobicContact CD1-CB 3.96Å; Y52-K82 HydrophobicContact CD1-CD 4.45Å; Y52-K82 HydrophobicContact CD1-CG 4.45Å; Y52-K82 HydrophobicContact CE1-CB 3.88Å; Y52-K82 HydrophobicContact CE1-CD 3.85Å; Y52-K82 HydrophobicContact CE1-CG 3.88Å; Y52-V83 VanDerWaalsContact CD1-O 3.25Å; Y52-V83 WeakPolarHBondContact CD1-O 3.37Å; Y52-V83 PolarHBondContact N-O 3.25Å; Y52-D84 HydrophobicContact CE1-CB 4.01Å; Y52-D84 HydrophobicContact CE2-CB 4.28Å; Y52-D84 WeakPolarHBondContact CE2-OD2 3.46Å; Y52-D84 WeakPolarHBondContact OH-CB 3.38Å; Y52-D84 PolarHBondContact OH-OD2 3.09Å; Y52-V85 WeakPolarHBondContact O-CG2 3.27Å; Y52-V85 PolarHBondContact O-N 3.23Å |
| 53 | A | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -137 | 144.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110 | W55 C56 V85 T86 L100 | A53-W55 VanDerWaalsContact C-N 3.27Å; A53-W55 HydrophobicContact CB-CD2 4.11Å; A53-W55 HydrophobicContact CB-CH2 4.3Å; A53-W55 HydrophobicContact CB-CZ2 3.67Å; A53-W55 PolarHBondContact O-N 2.85Å; A53-C56 HydrophobicContact CB-CB 4.32Å; A53-C56 WeakPolarHBondContact O-CB 3.38Å; A53-C56 PolarHBondContact O-N 2.83Å; A53-C56 VanDerWaalsContact O-N 3.07Å; A53-V85 HydrophobicContact CB-CG2 4.03Å; A53-T86 HydrophobicContact CB-CG2 3.87Å; A53-L100 HydrophobicContact CB-CD1 3.55Å | ||
| 54 | P | 96.7 | Very high | 97.2 | Very high | 66 Ų | 66 | 46.8 Ų | 46.8 | 43% | 0.429 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -25.2 | -169.8 | 26.6 | -33.8 | 0 | 0 | 0 | 112.8 | Q60 D84 | P54-Q60 PolarHBondContact O-NE2 2.91Å; P54-D84 WeakPolarHBondContact CD-OD2 3.48Å |
| 55 | W | 95.4 | Very high | 97.3 | Very high | 170 Ų | 170 | 43 Ų | 43 | 64% | 0.644 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -4.5 | 175.9 | 51.4 | -102.3 | 0 | 0 | 0 | 114.1 | A53 P57 T86 L100 | A53-W55 VanDerWaalsContact C-N 3.27Å; A53-W55 HydrophobicContact CB-CD2 4.11Å; A53-W55 HydrophobicContact CB-CH2 4.3Å; A53-W55 HydrophobicContact CB-CZ2 3.67Å; A53-W55 PolarHBondContact O-N 2.85Å; W55-P57 WeakPolarHBondContact O-CD 3.46Å; W55-T86 VanDerWaalsContact NE1-CG2 3.27Å; W55-L100 HydrophobicContact CH2-CD1 4.11Å; W55-L100 HydrophobicContact CZ2-CD1 4.39Å |
| 56 | C | 97.5 | Very high | 97.4 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 9% | 0.088 | 22% | 0.22 | C | C | . | . | trans | -89.5 | 114.4 | -174.6 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | A53 A58 C59 Q60 | A53-C56 HydrophobicContact CB-CB 4.32Å; A53-C56 WeakPolarHBondContact O-CB 3.38Å; A53-C56 PolarHBondContact O-N 2.83Å; A53-C56 VanDerWaalsContact O-N 3.07Å; C56-A58 VanDerWaalsContact C-N 3.27Å; C56-A58 PolarHBondContact O-N 2.79Å; C56-C59 HydrophobicContact CB-CB 3.98Å; C56-C59 VanDerWaalsContact CB-SG 3.59Å; C56-C59 WeakPolarHBondContact O-CB 3.36Å; C56-C59 PolarHBondContact O-N 3.05Å; C56-Q60 PolarHBondContact O-N 3.46Å; C56-Q60 VanDerWaalsContact O-N 3.08Å | ||
| 57 | P | 97.8 | Very high | 97.4 | Very high | 83 Ų | 83 | 45.2 Ų | 45.2 | 54% | 0.539 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.1 | -32.4 | -177.2 | -23.4 | 35.1 | 0 | 0 | 0 | 113.4 | W55 C59 Q60 N61 | W55-P57 WeakPolarHBondContact O-CD 3.46Å; P57-C59 VanDerWaalsContact C-N 3.25Å; P57-C59 PolarHBondContact O-N 2.96Å; P57-Q60 PolarHBondContact O-N 3.4Å; P57-N61 VanDerWaalsContact O-CG 3.32Å; P57-N61 PolarHBondContact O-N 3.06Å |
| 58 | A | 97.5 | Very high | 97.2 | Very high | 50 Ų | 50 | 46.8 Ų | 46.8 | 41% | 0.413 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.7 | -23.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C56 | C56-A58 VanDerWaalsContact C-N 3.27Å; C56-A58 PolarHBondContact O-N 2.79Å |
| 59 | C | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -80.4 | -42.7 | 171.6 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | C56 P57 N61 L62 Q63 | C56-C59 HydrophobicContact CB-CB 3.98Å; C56-C59 VanDerWaalsContact CB-SG 3.59Å; C56-C59 WeakPolarHBondContact O-CB 3.36Å; C56-C59 PolarHBondContact O-N 3.05Å; P57-C59 VanDerWaalsContact C-N 3.25Å; P57-C59 PolarHBondContact O-N 2.96Å; C59-N61 PolarHBondContact O-N 2.93Å; C59-L62 WeakPolarHBondContact O-CA 3.49Å; C59-L62 WeakPolarHBondContact O-CB 3.49Å; C59-L62 PolarHBondContact O-N 3.39Å; C59-Q63 PolarHBondContact O-N 2.88Å |
| 60 | Q | 97.3 | Very high | 97.1 | Very high | 96 Ų | 96 | 46.9 Ų | 46.9 | 45% | 0.449 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.9 | -38.1 | 176.3 | -65.5 | 169 | 0.9 | 0 | 0 | 111.8 | P54 C56 P57 L62 P64 | P54-Q60 PolarHBondContact O-NE2 2.91Å; C56-Q60 PolarHBondContact O-N 3.46Å; C56-Q60 VanDerWaalsContact O-N 3.08Å; P57-Q60 PolarHBondContact O-N 3.4Å; Q60-L62 VanDerWaalsContact C-N 3.3Å; Q60-L62 PolarHBondContact O-N 3.43Å; Q60-P64 WeakPolarHBondContact O-CD 3.4Å |
| 61 | N | 97.1 | Very high | 97 | Very high | 126 Ų | 126 | 51.2 Ų | 51.2 | 67% | 0.674 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -22 | 173.5 | -69.1 | -14.2 | 0 | 0 | 0 | 114.1 | P57 C59 | P57-N61 VanDerWaalsContact O-CG 3.32Å; P57-N61 PolarHBondContact O-N 3.06Å; C59-N61 PolarHBondContact O-N 2.93Å |
| 62 | L | 97.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -36.6 | 179.9 | 176.5 | 59 | 0 | 0 | 0 | 112.3 | E50 C59 Q60 P64 E65 W66 P101 I103 R118 F123 | E50-L62 VanDerWaalsContact OE2-CD2 3.26Å; E50-L62 WeakPolarHBondContact OE2-CD2 3.45Å; C59-L62 WeakPolarHBondContact O-CA 3.49Å; C59-L62 WeakPolarHBondContact O-CB 3.49Å; C59-L62 PolarHBondContact O-N 3.39Å; Q60-L62 VanDerWaalsContact C-N 3.3Å; Q60-L62 PolarHBondContact O-N 3.43Å; L62-P64 VanDerWaalsContact C-CD 3.48Å; L62-E65 HydrophobicContact CD1-CB 4.47Å; L62-E65 PolarHBondContact O-N 2.95Å; L62-W66 HydrophobicContact CG-CB 4.41Å; L62-W66 PolarHBondContact O-N 2.75Å; L62-P101 HydrophobicContact CB-CG 4.49Å; L62-P101 HydrophobicContact CD2-CB 3.56Å; L62-P101 HydrophobicContact CD2-CG 3.66Å; L62-I103 HydrophobicContact CD2-CD1 4.09Å; L62-R118 HydrophobicContact CD1-CB 3.82Å; L62-F123 HydrophobicContact CD1-CE2 4.13Å; L62-F123 HydrophobicContact CD1-CZ 4.07Å |
| 63 | Q | 96.1 | Very high | 96.4 | Very high | 59 Ų | 59 | 55.4 Ų | 55.4 | 28% | 0.276 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -44.6 | -47.9 | -177.5 | -77.8 | 177.6 | -23 | 0 | 0 | 115.2 | C59 E65 W66 E67 | C59-Q63 PolarHBondContact O-N 2.88Å; Q63-E65 PolarHBondContact O-N 3.08Å; Q63-W66 PolarHBondContact O-N 2.87Å; Q63-E67 WeakPolarHBondContact O-CB 3.49Å; Q63-E67 WeakPolarHBondContact O-CG 3.36Å; Q63-E67 PolarHBondContact O-N 3.36Å |
| 64 | P | 96.1 | Very high | 96.1 | Very high | 73 Ų | 73 | 63.1 Ų | 63.1 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.2 | -34 | 178.8 | 25.4 | -34.8 | 0 | 0 | 0 | 113.7 | Q60 L62 S68 | Q60-P64 WeakPolarHBondContact O-CD 3.4Å; L62-P64 VanDerWaalsContact C-CD 3.48Å; P64-S68 WeakPolarHBondContact O-CB 3.43Å; P64-S68 PolarHBondContact O-N 3.46Å; P64-S68 VanDerWaalsContact O-N 3.08Å; P64-S68 PolarHBondContact O-OG 3.02Å |
| 65 | E | 97.1 | Very high | 96 | Very high | 76 Ų | 76 | 66.1 Ų | 66.1 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.1 | -37.4 | 174.5 | -68 | -68.9 | 143.6 | 0 | 0 | 111.2 | L62 Q63 F69 K120 | L62-E65 HydrophobicContact CD1-CB 4.47Å; L62-E65 PolarHBondContact O-N 2.95Å; Q63-E65 PolarHBondContact O-N 3.08Å; E65-F69 WeakPolarHBondContact O-CB 3.43Å; E65-F69 PolarHBondContact O-N 2.93Å; E65-K120 WeakPolarHBondContact OE2-CB 3.38Å; E65-K120 PolarHBondContact OE2-N 3.2Å |
| 66 | W | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.8 | -44.8 | 178.7 | -163 | -114.7 | 0 | 0 | 0 | 112.5 | M48 E50 L62 Q63 F69 A70 V80 A81 I103 F123 | M48-W66 HydrophobicContact CB-CH2 3.87Å; M48-W66 HydrophobicContact CB-CZ2 4.26Å; M48-W66 HydrophobicContact CE-CH2 4.06Å; M48-W66 HydrophobicContact CE-CZ3 4.11Å; M48-W66 WeakPolarHBondContact O-CZ2 3.34Å; E50-W66 HydrophobicContact CB-CD2 4.24Å; E50-W66 HydrophobicContact CB-CH2 4.43Å; E50-W66 HydrophobicContact CB-CZ2 3.88Å; E50-W66 VanDerWaalsContact CD-CD1 3.47Å; E50-W66 HydrophobicContact CG-CD2 4.38Å; E50-W66 HydrophobicContact CG-CG 4.37Å; E50-W66 HydrophobicContact CG-CZ2 4.4Å; E50-W66 VanDerWaalsContact N-CZ2 3.31Å; L62-W66 HydrophobicContact CG-CB 4.41Å; L62-W66 PolarHBondContact O-N 2.75Å; Q63-W66 PolarHBondContact O-N 2.87Å; W66-F69 HydrophobicContact CE3-CD1 4.09Å; W66-F69 HydrophobicContact CH2-CE1 4.4Å; W66-F69 HydrophobicContact CZ3-CD1 4.11Å; W66-F69 HydrophobicContact CZ3-CE1 4.27Å; W66-F69 PolarHBondContact O-N 3.22Å; W66-A70 PolarHBondContact O-N 3.23Å; W66-V80 HydrophobicContact CD2-CG1 4.23Å; W66-V80 HydrophobicContact CZ2-CG1 3.77Å; W66-A81 WeakPolarHBondContact CZ2-O 3.13Å; W66-A81 PolarHBondContact NE1-O 3.37Å; W66-I103 HydrophobicContact CE3-CD1 4.44Å; W66-I103 HydrophobicContact CH2-CG1 4.47Å; W66-I103 HydrophobicContact CH2-CG2 3.73Å; W66-I103 HydrophobicContact CZ3-CD1 3.94Å; W66-I103 HydrophobicContact CZ3-CG1 4.33Å; W66-I103 HydrophobicContact CZ3-CG2 4.02Å; W66-F123 HydrophobicContact CE3-CD2 4.08Å; W66-F123 HydrophobicContact CE3-CE1 4.46Å; W66-F123 AromaticContact CE3-CE2 3.66Å; W66-F123 HydrophobicContact CE3-CE2 3.66Å; W66-F123 AromaticContact CE3-CZ 3.87Å; W66-F123 HydrophobicContact CE3-CZ 3.87Å; W66-F123 HydrophobicContact CZ3-CD1 4.24Å; W66-F123 HydrophobicContact CZ3-CD2 4.23Å; W66-F123 AromaticContact CZ3-CE1 3.96Å; W66-F123 HydrophobicContact CZ3-CE1 3.96Å; W66-F123 AromaticContact CZ3-CE2 3.96Å; W66-F123 HydrophobicContact CZ3-CE2 3.96Å; W66-F123 HydrophobicContact CZ3-CG 4.38Å; W66-F123 AromaticContact CZ3-CZ 3.81Å; W66-F123 HydrophobicContact CZ3-CZ 3.81Å |
| 67 | E | 96.3 | Very high | 95.9 | Very high | 90 Ų | 90 | 67.7 Ų | 67.7 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 174 | -70.4 | -175.9 | 168.7 | 0 | 0 | 111.2 | V31 Q63 F69 A70 E71 K82 | V31-E67 HydrophobicContact CG2-CG 4.18Å; Q63-E67 WeakPolarHBondContact O-CB 3.49Å; Q63-E67 WeakPolarHBondContact O-CG 3.36Å; Q63-E67 PolarHBondContact O-N 3.36Å; E67-F69 VanDerWaalsContact C-N 3.28Å; E67-F69 PolarHBondContact O-N 3.34Å; E67-A70 PolarHBondContact O-N 3.45Å; E67-E71 PolarHBondContact O-N 3.4Å; E67-K82 IonicContact OE1-NZ 2.65Å |
| 68 | S | 95.4 | Very high | 95.8 | Very high | 41 Ų | 41 | 64 Ų | 64 | 29% | 0.287 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.3 | -24 | 175.4 | -57.3 | 0 | 0 | 0 | 0 | 113.5 | P64 K120 | P64-S68 WeakPolarHBondContact O-CB 3.43Å; P64-S68 PolarHBondContact O-N 3.46Å; P64-S68 VanDerWaalsContact O-N 3.08Å; P64-S68 PolarHBondContact O-OG 3.02Å; S68-K120 WeakPolarHBondContact O-CD 3.45Å |
| 69 | F | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -75.8 | -39.7 | 170.2 | 165 | -121.9 | 0 | 0 | 0 | 111.5 | M48 E65 W66 E67 E71 W72 L76 V78 V80 K120 F123 I124 I127 | M48-F69 HydrophobicContact CB-CE1 3.79Å; M48-F69 HydrophobicContact CB-CZ 4.24Å; M48-F69 HydrophobicContact CE-CE1 4.18Å; M48-F69 HydrophobicContact CE-CZ 4.41Å; M48-F69 HydrophobicContact CG-CE1 4.02Å; M48-F69 HydrophobicContact CG-CZ 4.02Å; E65-F69 WeakPolarHBondContact O-CB 3.43Å; E65-F69 PolarHBondContact O-N 2.93Å; W66-F69 HydrophobicContact CE3-CD1 4.09Å; W66-F69 HydrophobicContact CH2-CE1 4.4Å; W66-F69 HydrophobicContact CZ3-CD1 4.11Å; W66-F69 HydrophobicContact CZ3-CE1 4.27Å; W66-F69 PolarHBondContact O-N 3.22Å; E67-F69 VanDerWaalsContact C-N 3.28Å; E67-F69 PolarHBondContact O-N 3.34Å; F69-E71 PolarHBondContact O-N 3.32Å; F69-W72 WeakPolarHBondContact O-CB 3.5Å; F69-W72 PolarHBondContact O-N 3Å; F69-L76 HydrophobicContact CE2-CD1 4.2Å; F69-V78 HydrophobicContact CZ-CG1 4.29Å; F69-V80 HydrophobicContact CD1-CG1 4.03Å; F69-V80 HydrophobicContact CD1-CG2 3.92Å; F69-V80 HydrophobicContact CE1-CB 4.48Å; F69-V80 HydrophobicContact CE1-CG1 4.09Å; F69-V80 HydrophobicContact CE1-CG2 3.51Å; F69-V80 HydrophobicContact CZ-CG2 3.99Å; F69-K120 HydrophobicContact CB-CG 4.22Å; F69-F123 HydrophobicContact CB-CB 4.39Å; F69-F123 HydrophobicContact CB-CD2 4.08Å; F69-F123 HydrophobicContact CD1-CB 3.94Å; F69-F123 HydrophobicContact CD1-CD2 4.15Å; F69-F123 HydrophobicContact CD1-CG 4.22Å; F69-F123 HydrophobicContact CD2-CB 3.56Å; F69-F123 HydrophobicContact CE1-CB 4.09Å; F69-F123 HydrophobicContact CE2-CB 3.72Å; F69-F123 HydrophobicContact CG-CB 3.68Å; F69-F123 HydrophobicContact CG-CD2 4.07Å; F69-F123 HydrophobicContact CG-CG 4.24Å; F69-F123 HydrophobicContact CZ-CB 4Å; F69-I124 HydrophobicContact CD2-CG1 4.09Å; F69-I127 HydrophobicContact CZ-CG1 4.29Å |
| 70 | A | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.7 | -23.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N30 V31 W66 E67 W72 G73 V80 | N30-A70 HydrophobicContact CB-CB 3.81Å; N30-A70 WeakPolarHBondContact CB-O 3.24Å; N30-A70 PolarHBondContact ND2-O 2.94Å; V31-A70 HydrophobicContact CG2-CB 3.48Å; V31-A70 VanDerWaalsContact CG2-CB 3.48Å; W66-A70 PolarHBondContact O-N 3.23Å; E67-A70 PolarHBondContact O-N 3.45Å; A70-W72 PolarHBondContact O-N 3.11Å; A70-G73 PolarHBondContact O-N 2.88Å; A70-V80 HydrophobicContact CB-CB 3.81Å; A70-V80 HydrophobicContact CB-CG1 3.91Å; A70-V80 HydrophobicContact CB-CG2 4.17Å |
| 71 | E | 95.5 | Very high | 95.9 | Very high | 92 Ų | 92 | 59.7 Ų | 59.7 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.7 | 169.5 | -60.3 | -162.1 | 141.8 | 0 | 0 | 113.2 | R27 E67 F69 | R27-E71 IonicContact CZ-OE1 2.76Å; R27-E71 IonicContact NH1-OE1 2.72Å; R27-E71 PolarHBondContact NH1-OE1 3.32Å; E67-E71 PolarHBondContact O-N 3.4Å; F69-E71 PolarHBondContact O-N 3.32Å |
| 72 | W | 93.9 | Very high | 95.9 | Very high | 112 Ų | 112 | 55.1 Ų | 55.1 | 42% | 0.424 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 2.6 | 178.5 | -65.2 | 72.3 | 0 | 0 | 0 | 113.6 | F69 A70 E74 D75 L76 I124 | F69-W72 WeakPolarHBondContact O-CB 3.5Å; F69-W72 PolarHBondContact O-N 3Å; A70-W72 PolarHBondContact O-N 3.11Å; W72-E74 PolarHBondContact O-N 3.46Å; W72-D75 PolarHBondContact O-N 3Å; W72-L76 HydrophobicContact CB-CD1 4.08Å; W72-L76 WeakPolarHBondContact O-CB 3.1Å; W72-L76 WeakPolarHBondContact O-CG 3.33Å; W72-L76 PolarHBondContact O-N 3.04Å; W72-L76 VanDerWaalsContact O-N 3.13Å; W72-I124 HydrophobicContact CB-CD1 4.37Å; W72-I124 HydrophobicContact CB-CG1 4.39Å; W72-I124 HydrophobicContact CD2-CD1 3.91Å; W72-I124 HydrophobicContact CE3-CD1 4.45Å; W72-I124 HydrophobicContact CG-CD1 3.83Å; W72-I124 HydrophobicContact CG-CG1 4.37Å |
| 73 | G | 91.8 | Very high | 96 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -40.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A70 L76 E77 V78 | A70-G73 PolarHBondContact O-N 2.88Å; G73-L76 PolarHBondContact O-N 3.5Å; G73-E77 PolarHBondContact O-N 3.44Å; G73-E77 VanDerWaalsContact O-N 3.16Å; G73-V78 CarbonylContact C-O 3.38Å; G73-V78 VanDerWaalsContact CA-O 3.24Å; G73-V78 WeakPolarHBondContact CA-O 3.47Å; G73-V78 PolarHBondContact O-N 3.49Å; G73-V78 VanDerWaalsContact O-O 3.1Å |
| 74 | E | 91.4 | Very high | 96.1 | Very high | 163 Ų | 163 | 52.7 Ų | 52.7 | 76% | 0.762 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -43.5 | 178.3 | -62.4 | -173.6 | 174.5 | 0 | 0 | 111.8 | W72 L76 E77 | W72-E74 PolarHBondContact O-N 3.46Å; E74-L76 PolarHBondContact O-N 3.2Å; E74-E77 PolarHBondContact O-N 2.72Å |
| 75 | D | 94.2 | Very high | 96.1 | Very high | 129 Ų | 129 | 50.6 Ų | 50.6 | 69% | 0.69 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23.8 | 177.6 | -72.1 | -34.5 | 0 | 0 | 0 | 113.5 | W72 | W72-D75 PolarHBondContact O-N 3Š|
| 76 | L | 94.4 | Very high | 96 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 20% | 0.199 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 3.6 | -178.2 | -68.6 | 173.5 | 0 | 0 | 0 | 113.8 | F69 W72 G73 E74 V78 I124 I127 | F69-L76 HydrophobicContact CE2-CD1 4.2Å; W72-L76 HydrophobicContact CB-CD1 4.08Å; W72-L76 WeakPolarHBondContact O-CB 3.1Å; W72-L76 WeakPolarHBondContact O-CG 3.33Å; W72-L76 PolarHBondContact O-N 3.04Å; W72-L76 VanDerWaalsContact O-N 3.13Å; G73-L76 PolarHBondContact O-N 3.5Å; E74-L76 PolarHBondContact O-N 3.2Å; L76-V78 HydrophobicContact CB-CG1 3.84Å; L76-V78 PolarHBondContact O-N 3.23Å; L76-I124 HydrophobicContact CD1-CB 4.33Å; L76-I124 HydrophobicContact CD1-CG1 4.07Å; L76-I124 HydrophobicContact CD1-CG2 4.22Å; L76-I127 HydrophobicContact CB-CG2 4.1Å |
| 77 | E | 95.5 | Very high | 95.9 | Very high | 177 Ų | 177 | 56 Ų | 56 | 83% | 0.827 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 32.6 | -175.1 | -57.2 | -176.7 | 159.3 | 0 | 0 | 114 | G73 E74 | G73-E77 PolarHBondContact O-N 3.44Å; G73-E77 VanDerWaalsContact O-N 3.16Å; E74-E77 PolarHBondContact O-N 2.72Å |
| 78 | V | 97 | Very high | 95.9 | Very high | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | trans | -124.9 | 131.4 | -176.8 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | D46 M48 F69 G73 L76 I127 | D46-V78 HydrophobicContact CB-CG2 4.33Å; D46-V78 WeakPolarHBondContact OD1-CG2 3.4Å; M48-V78 HydrophobicContact CB-CG2 4.41Å; M48-V78 HydrophobicContact CG-CG2 4.03Å; F69-V78 HydrophobicContact CZ-CG1 4.29Å; G73-V78 CarbonylContact C-O 3.38Å; G73-V78 VanDerWaalsContact CA-O 3.24Å; G73-V78 WeakPolarHBondContact CA-O 3.47Å; G73-V78 PolarHBondContact O-N 3.49Å; G73-V78 VanDerWaalsContact O-O 3.1Å; L76-V78 HydrophobicContact CB-CG1 3.84Å; L76-V78 PolarHBondContact O-N 3.23Å; V78-I127 HydrophobicContact CB-CG2 4.2Å; V78-I127 HydrophobicContact CG1-CG1 4.37Å; V78-I127 HydrophobicContact CG1-CG2 4.13Å; V78-I127 HydrophobicContact CG2-CD1 4.19Å | ||
| 79 | N | 97.7 | Very high | 95.9 | Very high | 51 Ų | 51 | 52.2 Ų | 52.2 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 132.1 | 173.5 | -61.9 | -87.9 | 0 | 0 | 0 | 109.8 | D46 W47 M48 | D46-N79 WeakPolarHBondContact O-CB 3.5Å; D46-N79 PolarHBondContact O-N 2.98Å; D46-N79 PolarHBondContact O-ND2 2.95Å; W47-N79 CarbonylContact C-O 3.56Å; W47-N79 VanDerWaalsContact CA-O 3.3Å; W47-N79 WeakPolarHBondContact CA-O 3.32Å; W47-N79 HydrophobicContact CD2-CB 3.52Å; W47-N79 HydrophobicContact CE3-CB 3.37Å; W47-N79 HydrophobicContact CG-CB 4.16Å; W47-N79 HydrophobicContact CH2-CB 4.08Å; W47-N79 HydrophobicContact CZ2-CB 4.17Å; W47-N79 HydrophobicContact CZ3-CB 3.69Å; M48-N79 PolarHBondContact N-O 3.13Å |
| 80 | V | 98 | Very high | 95.8 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 135.2 | 174.7 | -173 | 0 | 0 | 0 | 0 | 109.8 | V31 R32 M48 W66 F69 A70 | V31-V80 CarbonylContact C-O 3.56Å; V31-V80 WeakPolarHBondContact CA-O 3.34Å; V31-V80 HydrophobicContact CG2-CG1 4.31Å; R32-V80 PolarHBondContact N-O 3.22Å; M48-V80 CarbonylContact O-C 3.49Å; M48-V80 WeakPolarHBondContact O-CA 3.26Å; W66-V80 HydrophobicContact CD2-CG1 4.23Å; W66-V80 HydrophobicContact CZ2-CG1 3.77Å; F69-V80 HydrophobicContact CD1-CG1 4.03Å; F69-V80 HydrophobicContact CD1-CG2 3.92Å; F69-V80 HydrophobicContact CE1-CB 4.48Å; F69-V80 HydrophobicContact CE1-CG1 4.09Å; F69-V80 HydrophobicContact CE1-CG2 3.51Å; F69-V80 HydrophobicContact CZ-CG2 3.99Å; A70-V80 HydrophobicContact CB-CB 3.81Å; A70-V80 HydrophobicContact CB-CG1 3.91Å; A70-V80 HydrophobicContact CB-CG2 4.17Å |
| 81 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 159.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113 | R32 I34 W47 M48 I49 E50 W66 | R32-A81 CarbonylContact O-C 3.58Å; R32-A81 VanDerWaalsContact O-CA 3.23Å; R32-A81 WeakPolarHBondContact O-CA 3.37Å; I34-A81 HydrophobicContact CG1-CB 3.82Å; W47-A81 HydrophobicContact CE3-CB 4.01Å; W47-A81 HydrophobicContact CZ3-CB 4.12Å; M48-A81 PolarHBondContact O-N 3.42Å; I49-A81 HydrophobicContact CG1-CB 4.37Å; E50-A81 PolarHBondContact N-O 3.11Å; W66-A81 WeakPolarHBondContact CZ2-O 3.13Å; W66-A81 PolarHBondContact NE1-O 3.37Å |
| 82 | K | 97.9 | Very high | 95.8 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 14% | 0.135 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 146.1 | 171.3 | 67.5 | -174.7 | 170.5 | -171.1 | 0 | 112.7 | V31 R32 I34 E50 Y52 E67 | V31-K82 HydrophobicContact CG1-CB 3.88Å; V31-K82 HydrophobicContact CG1-CD 3.87Å; V31-K82 HydrophobicContact CG1-CG 3.7Å; R32-K82 PolarHBondContact O-N 2.86Å; I34-K82 PolarHBondContact N-O 2.8Å; E50-K82 HydrophobicContact CG-CB 3.59Å; E50-K82 CarbonylContact O-C 3.56Å; E50-K82 WeakPolarHBondContact O-CA 3.32Å; Y52-K82 HydrophobicContact CD1-CB 3.96Å; Y52-K82 HydrophobicContact CD1-CD 4.45Å; Y52-K82 HydrophobicContact CD1-CG 4.45Å; Y52-K82 HydrophobicContact CE1-CB 3.88Å; Y52-K82 HydrophobicContact CE1-CD 3.85Å; Y52-K82 HydrophobicContact CE1-CG 3.88Å; E67-K82 IonicContact OE1-NZ 2.65Å |
| 83 | V | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 124 | 176.1 | 176.2 | 0 | 0 | 0 | 0 | 109.1 | I34 I49 E50 F51 Y52 Q88 L91 | I34-V83 HydrophobicContact CB-CG2 3.8Å; I34-V83 HydrophobicContact CG2-CG2 4Å; I49-V83 HydrophobicContact CG2-CG2 4.07Å; E50-V83 PolarHBondContact O-N 2.79Å; F51-V83 HydrophobicContact CD1-CB 3.66Å; F51-V83 HydrophobicContact CD1-CG1 3.68Å; F51-V83 HydrophobicContact CD1-CG2 4.22Å; F51-V83 HydrophobicContact CE1-CB 3.82Å; F51-V83 HydrophobicContact CE1-CG1 3.76Å; F51-V83 HydrophobicContact CE1-CG2 3.89Å; F51-V83 HydrophobicContact CG-CB 4.33Å; F51-V83 HydrophobicContact CZ-CG2 4.25Å; Y52-V83 VanDerWaalsContact CD1-O 3.25Å; Y52-V83 WeakPolarHBondContact CD1-O 3.37Å; Y52-V83 PolarHBondContact N-O 3.25Å; V83-Q88 HydrophobicContact CG1-CB 4.03Å; V83-Q88 HydrophobicContact CG1-CG 4.36Å; V83-L91 HydrophobicContact CB-CD1 4.49Å; V83-L91 HydrophobicContact CG1-CB 4.05Å; V83-L91 HydrophobicContact CG1-CD1 3.69Å; V83-L91 HydrophobicContact CG2-CD1 3.9Å |
| 84 | D | 97.8 | Very high | 96 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 6% | 0.064 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 112 | 171.2 | -159.1 | -53.4 | 0 | 0 | 0 | 110.2 | Y52 P54 T86 E87 Q88 | Y52-D84 HydrophobicContact CE1-CB 4.01Å; Y52-D84 HydrophobicContact CE2-CB 4.28Å; Y52-D84 WeakPolarHBondContact CE2-OD2 3.46Å; Y52-D84 WeakPolarHBondContact OH-CB 3.38Å; Y52-D84 PolarHBondContact OH-OD2 3.09Å; P54-D84 WeakPolarHBondContact CD-OD2 3.48Å; D84-T86 PolarHBondContact O-N 2.85Å; D84-T86 WeakPolarHBondContact OD1-CB 3.47Å; D84-T86 PolarHBondContact OD1-N 3.21Å; D84-T86 PolarHBondContact OD1-OG1 2.9Å; D84-E87 HydrophobicContact CB-CB 4.41Å; D84-E87 HydrophobicContact CB-CG 4.44Å; D84-E87 PolarHBondContact O-N 3.37Å; D84-Q88 WeakPolarHBondContact O-CB 3.49Å; D84-Q88 PolarHBondContact O-N 3.1Å |
| 85 | V | 96.6 | Very high | 96.1 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 18% | 0.176 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -9.6 | -178.6 | -57.1 | 0 | 0 | 0 | 0 | 113.4 | F51 Y52 A53 S92 I97 L100 | F51-V85 HydrophobicContact CB-CG1 4.08Å; F51-V85 HydrophobicContact CD1-CG1 4.13Å; Y52-V85 WeakPolarHBondContact O-CG2 3.27Å; Y52-V85 PolarHBondContact O-N 3.23Å; A53-V85 HydrophobicContact CB-CG2 4.03Å; V85-S92 WeakPolarHBondContact CA-OG 3.43Å; V85-S92 VanDerWaalsContact CB-OG 3.24Å; V85-S92 WeakPolarHBondContact CB-OG 3.32Å; V85-S92 PolarHBondContact O-OG 2.82Å; V85-I97 HydrophobicContact CG1-CB 4.48Å; V85-I97 HydrophobicContact CG1-CG2 4.14Å; V85-L100 HydrophobicContact CG1-CD2 4.07Å; V85-L100 HydrophobicContact CG2-CD1 3.79Å; V85-L100 HydrophobicContact CG2-CD2 3.95Å; V85-L100 HydrophobicContact CG2-CG 4.46Å |
| 86 | T | 94.6 | Very high | 96.1 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 34% | 0.337 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -31.1 | 176.1 | 70.4 | 0 | 0 | 0 | 0 | 112.5 | A53 W55 D84 | A53-T86 HydrophobicContact CB-CG2 3.87Å; W55-T86 VanDerWaalsContact NE1-CG2 3.27Å; D84-T86 PolarHBondContact O-N 2.85Å; D84-T86 WeakPolarHBondContact OD1-CB 3.47Å; D84-T86 PolarHBondContact OD1-N 3.21Å; D84-T86 PolarHBondContact OD1-OG1 2.9Å |
| 87 | E | 95.8 | Very high | 96.1 | Very high | 137 Ų | 137 | 33.7 Ų | 33.7 | 64% | 0.64 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -28 | 176.7 | -58.8 | -169.2 | 151.5 | 0 | 0 | 112.7 | D84 P89 | D84-E87 HydrophobicContact CB-CB 4.41Å; D84-E87 HydrophobicContact CB-CG 4.44Å; D84-E87 PolarHBondContact O-N 3.37Å; E87-P89 WeakPolarHBondContact O-CD 3.41Å |
| 88 | Q | 96.9 | Very high | 96 | Very high | 27 Ų | 27 | 31.5 Ų | 31.5 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | trans | -113.6 | 71.4 | -172.4 | -53.8 | -59.3 | -43.1 | 0 | 0 | 112.2 | T35 V83 D84 G90 L91 S92 | T35-Q88 VanDerWaalsContact CA-OE1 3.25Å; V83-Q88 HydrophobicContact CG1-CB 4.03Å; V83-Q88 HydrophobicContact CG1-CG 4.36Å; D84-Q88 WeakPolarHBondContact O-CB 3.49Å; D84-Q88 PolarHBondContact O-N 3.1Å; Q88-G90 VanDerWaalsContact C-N 3.34Å; Q88-G90 PolarHBondContact O-N 2.86Å; Q88-L91 HydrophobicContact CB-CB 4.11Å; Q88-L91 HydrophobicContact CB-CD1 4.11Å; Q88-L91 HydrophobicContact CB-CG 4.13Å; Q88-L91 HydrophobicContact CG-CD1 4.42Å; Q88-L91 PolarHBondContact O-N 3.15Å; Q88-S92 PolarHBondContact O-N 3.46Å; Q88-S92 VanDerWaalsContact O-N 3.08Å; Q88-S92 PolarHBondContact O-OG 2.79Å | ||
| 89 | P | 94.3 | Very high | 96 | Very high | 23 Ų | 23 | 34 Ų | 34 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.7 | -28.7 | -177.8 | 29.1 | -35.5 | 0 | 0 | 0 | 113 | E87 S92 G93 F156 Q157 M160 | E87-P89 WeakPolarHBondContact O-CD 3.41Å; P89-S92 WeakPolarHBondContact O-CB 3.45Å; P89-S92 PolarHBondContact O-N 3.5Å; P89-G93 PolarHBondContact O-N 3.33Å; P89-F156 VanDerWaalsContact O-CB 3.31Å; P89-F156 WeakPolarHBondContact O-CB 3.32Å; P89-Q157 HydrophobicContact CG-CG 4.4Å; P89-M160 HydrophobicContact CB-CB 4.4Å; P89-M160 HydrophobicContact CB-CE 4.37Å; P89-M160 HydrophobicContact CB-CG 3.78Å; P89-M160 HydrophobicContact CG-CB 4.38Å; P89-M160 HydrophobicContact CG-CE 4.49Å; P89-M160 HydrophobicContact CG-CG 4.23Å |
| 90 | G | 95.7 | Very high | 96 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.3 | -40.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D36 Q88 G93 R94 S153 | D36-G90 VanDerWaalsContact OD1-CA 3.23Å; D36-G90 WeakPolarHBondContact OD1-CA 3.32Å; D36-G90 WeakPolarHBondContact OD2-CA 3.39Å; D36-G90 PolarHBondContact OD2-N 3.31Å; Q88-G90 VanDerWaalsContact C-N 3.34Å; Q88-G90 PolarHBondContact O-N 2.86Å; G90-G93 PolarHBondContact O-N 3.44Å; G90-R94 WeakPolarHBondContact O-CB 3.38Å; G90-R94 PolarHBondContact O-N 2.95Å; G90-S153 VanDerWaalsContact C-OG 3.27Å; G90-S153 WeakPolarHBondContact CA-OG 3.34Å; G90-S153 WeakPolarHBondContact O-CA 3.36Å; G90-S153 WeakPolarHBondContact O-CB 3.24Å; G90-S153 PolarHBondContact O-OG 2.66Å |
| 91 | L | 96.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 171.6 | -62 | -168.3 | 0 | 0 | 0 | 111.4 | I34 D36 W39 V83 Q88 G93 R94 F95 | I34-L91 HydrophobicContact CG2-CD1 3.93Å; D36-L91 WeakPolarHBondContact OD1-CD2 3.16Å; D36-L91 WeakPolarHBondContact OD1-CG 3.46Å; D36-L91 PolarHBondContact OD1-N 3.11Å; W39-L91 HydrophobicContact CB-CD1 4.48Å; W39-L91 HydrophobicContact CB-CD2 3.6Å; W39-L91 HydrophobicContact CG-CD2 3.67Å; V83-L91 HydrophobicContact CB-CD1 4.49Å; V83-L91 HydrophobicContact CG1-CB 4.05Å; V83-L91 HydrophobicContact CG1-CD1 3.69Å; V83-L91 HydrophobicContact CG2-CD1 3.9Å; Q88-L91 HydrophobicContact CB-CB 4.11Å; Q88-L91 HydrophobicContact CB-CD1 4.11Å; Q88-L91 HydrophobicContact CB-CG 4.13Å; Q88-L91 HydrophobicContact CG-CD1 4.42Å; Q88-L91 PolarHBondContact O-N 3.15Å; L91-G93 VanDerWaalsContact C-N 3.3Å; L91-G93 PolarHBondContact O-N 2.96Å; L91-R94 PolarHBondContact O-N 3.31Å; L91-R94 VanDerWaalsContact O-N 3.17Å; L91-F95 WeakPolarHBondContact O-CD2 3.36Å; L91-F95 PolarHBondContact O-N 3.1Å |
| 92 | S | 95.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 34.5 Ų | 34.5 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.8 | -41.6 | 177.3 | -55.6 | 0 | 0 | 0 | 0 | 112.3 | V85 Q88 P89 I96 I97 | V85-S92 WeakPolarHBondContact CA-OG 3.43Å; V85-S92 VanDerWaalsContact CB-OG 3.24Å; V85-S92 WeakPolarHBondContact CB-OG 3.32Å; V85-S92 PolarHBondContact O-OG 2.82Å; Q88-S92 PolarHBondContact O-N 3.46Å; Q88-S92 VanDerWaalsContact O-N 3.08Å; Q88-S92 PolarHBondContact O-OG 2.79Å; P89-S92 WeakPolarHBondContact O-CB 3.45Å; P89-S92 PolarHBondContact O-N 3.5Å; S92-I96 WeakPolarHBondContact O-CA 3.43Å; S92-I96 PolarHBondContact O-N 3.08Å; S92-I97 PolarHBondContact O-N 3.36Å |
| 93 | G | 94.1 | Very high | 96 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73 | -40.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P89 G90 L91 F95 I96 M152 | P89-G93 PolarHBondContact O-N 3.33Å; G90-G93 PolarHBondContact O-N 3.44Å; L91-G93 VanDerWaalsContact C-N 3.3Å; L91-G93 PolarHBondContact O-N 2.96Å; G93-F95 VanDerWaalsContact C-N 3.29Å; G93-F95 PolarHBondContact O-N 3Å; G93-I96 PolarHBondContact O-N 2.91Å; G93-M152 WeakPolarHBondContact O-CB 3.34Å |
| 94 | R | 95.2 | Very high | 95.9 | Very high | 23 Ų | 23 | 34.4 Ų | 34.4 | 9% | 0.087 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.2 | -30.4 | 179.9 | 169.1 | 168.5 | -86.7 | 114.3 | 5.3 | 113.5 | W39 G90 L91 P144 M149 S150 S153 | W39-R94 VanDerWaalsContact CZ2-CZ 3.41Å; G90-R94 WeakPolarHBondContact O-CB 3.38Å; G90-R94 PolarHBondContact O-N 2.95Å; L91-R94 PolarHBondContact O-N 3.31Å; L91-R94 VanDerWaalsContact O-N 3.17Å; R94-P144 WeakPolarHBondContact CD-O 3.23Å; R94-P144 HydrophobicContact CG-CB 3.37Å; R94-P144 WeakPolarHBondContact CG-O 3.34Å; R94-P144 PolarHBondContact NE-O 3.33Å; R94-M149 HydrophobicContact CG-CB 4.47Å; R94-M149 WeakPolarHBondContact O-CB 3.43Å; R94-S150 PolarHBondContact NH2-OG 2.95Å; R94-S153 PolarHBondContact NH1-OG 3.39Å; R94-S153 VanDerWaalsContact NH1-OG 3.1Å |
| 95 | F | 94.7 | Very high | 95.9 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 0.6 | 177 | -73.9 | -99 | 0 | 0 | 0 | 113.5 | L42 F51 L91 G93 I97 Y104 F111 P144 | L42-F95 HydrophobicContact CD1-CZ 4.09Å; F51-F95 HydrophobicContact CE1-CB 4.16Å; F51-F95 AromaticContact CE1-CD2 4Å; F51-F95 HydrophobicContact CE1-CD2 4Å; F51-F95 HydrophobicContact CE1-CG 4.03Å; F51-F95 HydrophobicContact CE2-CD1 4.06Å; F51-F95 HydrophobicContact CE2-CE1 4.4Å; F51-F95 HydrophobicContact CE2-CG 4.24Å; F51-F95 HydrophobicContact CZ-CB 3.92Å; F51-F95 AromaticContact CZ-CD1 3.65Å; F51-F95 HydrophobicContact CZ-CD1 3.65Å; F51-F95 AromaticContact CZ-CD2 3.64Å; F51-F95 HydrophobicContact CZ-CD2 3.64Å; F51-F95 AromaticContact CZ-CE1 3.98Å; F51-F95 HydrophobicContact CZ-CE1 3.98Å; F51-F95 AromaticContact CZ-CE2 3.99Å; F51-F95 HydrophobicContact CZ-CE2 3.99Å; F51-F95 AromaticContact CZ-CG 3.46Å; F51-F95 HydrophobicContact CZ-CG 3.46Å; F51-F95 VanDerWaalsContact CZ-CG 3.46Å; F51-F95 HydrophobicContact CZ-CZ 4.15Å; L91-F95 WeakPolarHBondContact O-CD2 3.36Å; L91-F95 PolarHBondContact O-N 3.1Å; G93-F95 VanDerWaalsContact C-N 3.29Å; G93-F95 PolarHBondContact O-N 3Å; F95-I97 VanDerWaalsContact C-N 3.34Å; F95-I97 HydrophobicContact CB-CD1 3.66Å; F95-I97 HydrophobicContact CB-CG1 3.9Å; F95-I97 PolarHBondContact O-N 3.48Å; F95-Y104 HydrophobicContact CD1-CD2 4.35Å; F95-Y104 HydrophobicContact CD1-CE2 4.5Å; F95-F111 AromaticContact CE1-CD1 3.6Å; F95-F111 HydrophobicContact CE1-CD1 3.6Å; F95-F111 AromaticContact CE1-CE1 3.51Å; F95-F111 HydrophobicContact CE1-CE1 3.51Å; F95-F111 HydrophobicContact CE1-CG 4.4Å; F95-F111 HydrophobicContact CE1-CZ 4.29Å; F95-F111 HydrophobicContact CZ-CD1 4.29Å; F95-F111 AromaticContact CZ-CE1 3.73Å; F95-F111 HydrophobicContact CZ-CE1 3.73Å; F95-F111 HydrophobicContact CZ-CZ 4.2Å; F95-P144 HydrophobicContact CD1-CB 4.42Å; F95-P144 HydrophobicContact CD1-CG 4.44Å; F95-P144 HydrophobicContact CD2-CB 4.19Å; F95-P144 HydrophobicContact CE1-CB 4.06Å; F95-P144 HydrophobicContact CE1-CG 3.79Å; F95-P144 HydrophobicContact CE2-CB 3.79Å; F95-P144 HydrophobicContact CE2-CG 4.3Å; F95-P144 HydrophobicContact CG-CB 4.49Å; F95-P144 HydrophobicContact CZ-CB 3.73Å; F95-P144 HydrophobicContact CZ-CG 3.71Å |
| 96 | I | 93.1 | Very high | 95.9 | Very high | 81 Ų | 81 | 32.5 Ų | 32.5 | 42% | 0.415 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 51.3 | -176.2 | -37.8 | -178.8 | 0 | 0 | 0 | 112.1 | S92 G93 T98 M149 | S92-I96 WeakPolarHBondContact O-CA 3.43Å; S92-I96 PolarHBondContact O-N 3.08Å; G93-I96 PolarHBondContact O-N 2.91Å; I96-T98 HydrophobicContact CG2-CG2 4.33Å; I96-T98 PolarHBondContact O-N 3.4Å; I96-M149 HydrophobicContact CD1-CE 4.02Å; I96-M149 HydrophobicContact CD1-SD 3.75Å; I96-M149 HydrophobicContact CG1-SD 3.81Å |
| 97 | I | 95.4 | Very high | 96 | Very high | 27 Ų | 27 | 32.6 Ų | 32.6 | 14% | 0.138 | 18% | 0.177 | C | C | . | . | trans | -71.9 | 106.2 | -177.8 | -53.8 | -60.8 | 0 | 0 | 0 | 110 | F51 V85 S92 F95 L100 T102 Y104 | F51-I97 HydrophobicContact CB-CD1 4.04Å; F51-I97 HydrophobicContact CB-CG1 4.2Å; F51-I97 HydrophobicContact CB-CG2 4.16Å; F51-I97 HydrophobicContact CD1-CD1 3.75Å; F51-I97 HydrophobicContact CD1-CG1 3.57Å; F51-I97 HydrophobicContact CD2-CD1 3.71Å; F51-I97 HydrophobicContact CD2-CG1 4.46Å; F51-I97 HydrophobicContact CE1-CD1 4.07Å; F51-I97 HydrophobicContact CE1-CG1 4Å; F51-I97 HydrophobicContact CE2-CD1 4.06Å; F51-I97 HydrophobicContact CG-CD1 3.54Å; F51-I97 HydrophobicContact CG-CG1 3.82Å; F51-I97 HydrophobicContact CZ-CD1 4.23Å; V85-I97 HydrophobicContact CG1-CB 4.48Å; V85-I97 HydrophobicContact CG1-CG2 4.14Å; S92-I97 PolarHBondContact O-N 3.36Å; F95-I97 VanDerWaalsContact C-N 3.34Å; F95-I97 HydrophobicContact CB-CD1 3.66Å; F95-I97 HydrophobicContact CB-CG1 3.9Å; F95-I97 PolarHBondContact O-N 3.48Å; I97-L100 HydrophobicContact CG2-CD2 3.79Å; I97-T102 HydrophobicContact CD1-CG2 4.09Å; I97-Y104 HydrophobicContact CD1-CE2 4Å | ||
| 98 | T | 93.3 | Very high | 96 | Very high | 131 Ų | 131 | 31.2 Ų | 31.2 | 80% | 0.804 | 17% | 0.174 | S | C | * | . | trans | -106.6 | -11.1 | -176.6 | 43.3 | 0 | 0 | 0 | 0 | 113.9 | I96 | I96-T98 HydrophobicContact CG2-CG2 4.33Å; I96-T98 PolarHBondContact O-N 3.4Å | ||
| 99 | A | 96 | Very high | 95.7 | Very high | 58 Ų | 58 | 31.4 Ų | 31.4 | 48% | 0.479 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -149.7 | 157.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | T102 | A99-T102 WeakPolarHBondContact O-CB 3.4Å; A99-T102 PolarHBondContact O-OG1 3.4Å |
| 100 | L | 97.6 | Very high | 95.8 | Very high | 43 Ų | 43 | 35 Ų | 35 | 23% | 0.225 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -133.9 | 148.2 | -177.4 | -60.7 | 174.2 | 0 | 0 | 0 | 111.8 | F51 A53 W55 V85 I97 | F51-L100 HydrophobicContact CB-CD2 4.44Å; F51-L100 WeakPolarHBondContact O-CD2 3.47Å; A53-L100 HydrophobicContact CB-CD1 3.55Å; W55-L100 HydrophobicContact CH2-CD1 4.11Å; W55-L100 HydrophobicContact CZ2-CD1 4.39Å; V85-L100 HydrophobicContact CG1-CD2 4.07Å; V85-L100 HydrophobicContact CG2-CD1 3.79Å; V85-L100 HydrophobicContact CG2-CD2 3.95Å; V85-L100 HydrophobicContact CG2-CG 4.46Å; I97-L100 HydrophobicContact CG2-CD2 3.79Å |
| 101 | P | 97.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | S | Bend | cis | -71.1 | 134.5 | -15.8 | 26.6 | -30.4 | 0 | 0 | 0 | 111.1 | F51 L62 R118 | F51-P101 WeakPolarHBondContact O-CA 3.34Å; L62-P101 HydrophobicContact CB-CG 4.49Å; L62-P101 HydrophobicContact CD2-CB 3.56Å; L62-P101 HydrophobicContact CD2-CG 3.66Å; P101-R118 PolarHBondContact O-NE 3.35Å; P101-R118 PolarHBondContact O-NH2 3.19Å |
| 102 | T | 98.1 | Very high | 95.8 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 13% | 0.129 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.5 | 171.8 | -73.1 | 0 | 0 | 0 | 0 | 108.7 | F51 I97 A99 Y104 R113 | F51-T102 PolarHBondContact N-O 3.37Å; F51-T102 PolarHBondContact O-N 3.4Å; I97-T102 HydrophobicContact CD1-CG2 4.09Å; A99-T102 WeakPolarHBondContact O-CB 3.4Å; A99-T102 PolarHBondContact O-OG1 3.4Å; T102-Y104 HydrophobicContact CG2-CD2 3.87Å; T102-Y104 HydrophobicContact CG2-CE2 3.53Å; T102-R113 HydrophobicContact CG2-CG 4.48Å |
| 103 | I | 98.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132.8 | -178.4 | -62.3 | 167.6 | 0 | 0 | 0 | 109.2 | M48 I49 E50 L62 W66 Y114 R118 F123 | M48-I103 HydrophobicContact CE-CG2 4.09Å; I49-I103 WeakPolarHBondContact O-CA 3.3Å; E50-I103 HydrophobicContact CB-CG1 4.28Å; L62-I103 HydrophobicContact CD2-CD1 4.09Å; W66-I103 HydrophobicContact CE3-CD1 4.44Å; W66-I103 HydrophobicContact CH2-CG1 4.47Å; W66-I103 HydrophobicContact CH2-CG2 3.73Å; W66-I103 HydrophobicContact CZ3-CD1 3.94Å; W66-I103 HydrophobicContact CZ3-CG1 4.33Å; W66-I103 HydrophobicContact CZ3-CG2 4.02Å; I103-Y114 HydrophobicContact CD1-CD1 4.43Å; I103-Y114 HydrophobicContact CG2-CG 4.28Å; I103-Y114 PolarHBondContact O-N 3.03Å; I103-R118 HydrophobicContact CD1-CG 4.2Å; I103-F123 HydrophobicContact CD1-CE1 3.67Å; I103-F123 HydrophobicContact CD1-CZ 3.58Å |
| 104 | Y | 97.6 | Very high | 95.9 | Very high | 27 Ų | 27 | 42.5 Ų | 42.5 | 11% | 0.106 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.9 | 172.3 | -82.2 | -86.3 | 0 | 0 | 0 | 110.6 | I49 F51 F95 I97 T102 F111 R112 R113 V138 | I49-Y104 PolarHBondContact N-O 2.97Å; I49-Y104 PolarHBondContact O-N 3.5Å; F51-Y104 HydrophobicContact CD2-CD2 4.1Å; F51-Y104 AromaticContact CE2-CD2 3.8Å; F51-Y104 HydrophobicContact CE2-CD2 3.8Å; F95-Y104 HydrophobicContact CD1-CD2 4.35Å; F95-Y104 HydrophobicContact CD1-CE2 4.5Å; I97-Y104 HydrophobicContact CD1-CE2 4Å; T102-Y104 HydrophobicContact CG2-CD2 3.87Å; T102-Y104 HydrophobicContact CG2-CE2 3.53Å; Y104-F111 HydrophobicContact CD1-CB 4.28Å; Y104-R112 WeakPolarHBondContact CA-O 3.35Å; Y104-R113 HydrophobicContact CD1-CB 4.21Å; Y104-R113 HydrophobicContact CE1-CB 3.75Å; Y104-R113 HydrophobicContact CE1-CG 4.23Å; Y104-R113 HydrophobicContact CE2-CG 4.49Å; Y104-V138 HydrophobicContact CE1-CG2 3.98Å |
| 105 | H | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 128.3 | 161.9 | 165 | -79.9 | 0 | 0 | 0 | 107.9 | D46 W47 M48 F111 R112 F126 W132 | D46-H105 IonicContact OD1-CD2 3.69Å; D46-H105 IonicContact OD1-NE2 2.63Å; W47-H105 CarbonylContact O-C 3.5Å; W47-H105 WeakPolarHBondContact O-CA 3.19Å; M48-H105 HydrophobicContact SD-CB 3.79Å; H105-F111 CarbonylContact O-C 3.53Å; H105-F111 WeakPolarHBondContact O-CA 3.32Å; H105-R112 HydrophobicContact CB-CB 4.43Å; H105-R112 PolarHBondContact N-O 3.23Å; H105-R112 PolarHBondContact O-N 2.88Å; H105-F126 HydrophobicContact CB-CE1 3.8Å; H105-F126 HydrophobicContact CB-CZ 4.14Å; H105-F126 AromaticContact CD2-CE1 3.71Å; H105-F126 AromaticContact CG-CE1 3.94Å; H105-W132 AromaticContact CE1-CD2 3.74Å; H105-W132 AromaticContact CE1-CG 3.61Å; H105-W132 AromaticContact NE2-CD1 3.39Å; H105-W132 AromaticContact NE2-CD2 3.78Å; H105-W132 AromaticContact NE2-CG 3.4Å; H105-W132 AromaticContact NE2-NE1 3.75Å |
| 106 | C | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.7 | 167.4 | -167.7 | 0 | 0 | 0 | 0 | 109.7 | L42 W47 I49 G109 F111 | L42-C106 PolarHBondContact O-SG 2.99Å; W47-C106 HydrophobicContact CB-CB 4.28Å; W47-C106 PolarHBondContact N-O 2.91Å; W47-C106 PolarHBondContact O-N 3.44Å; I49-C106 HydrophobicContact CD1-CB 4.25Å; C106-G109 VanDerWaalsContact SG-CA 3.57Å; C106-F111 HydrophobicContact CB-CD1 3.57Å; C106-F111 HydrophobicContact CB-CE1 3.46Å; C106-F111 VanDerWaalsContact CB-CE1 3.46Å; C106-F111 HydrophobicContact CB-CG 4.2Å; C106-F111 HydrophobicContact CB-CZ 3.98Å; C106-F111 WeakPolarHBondContact SG-CE1 3.38Å; C106-F111 WeakPolarHBondContact SG-CE2 3.42Å; C106-F111 WeakPolarHBondContact SG-CZ 3.49Å |
| 107 | K | 96.4 | Very high | 96.1 | Very high | 58 Ų | 58 | 48.8 Ų | 48.8 | 25% | 0.252 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 115.1 | 167.3 | -171.5 | 169.6 | -165.8 | 65.5 | 0 | 109.5 | G45 D46 G109 E110 W132 | G45-K107 WeakPolarHBondContact O-CA 3.24Å; D46-K107 WeakPolarHBondContact OD2-CD 3.41Å; D46-K107 IonicContact OD2-NZ 3.2Å; D46-K107 PolarHBondContact OD2-NZ 3.37Å; K107-G109 PolarHBondContact O-N 3.18Å; K107-G109 VanDerWaalsContact O-N 3.15Å; K107-E110 PolarHBondContact N-O 2.58Å; K107-E110 WeakPolarHBondContact O-CB 3.35Å; K107-E110 PolarHBondContact O-N 2.91Å; K107-W132 HydrophobicContact CD-CH2 3.57Å; K107-W132 HydrophobicContact CD-CZ2 3.73Å; K107-W132 HydrophobicContact CD-CZ3 4.13Å |
| 108 | D | 94.3 | Very high | 96.2 | Very high | 108 Ų | 108 | 53.5 Ų | 53.5 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 40.1 | 177.7 | -53.6 | -55.6 | 0 | 0 | 0 | 113.1 | L43 G45 | L43-D108 CarbonylContact O-C 3.27Å; L43-D108 VanDerWaalsContact O-C 3.27Å; G45-D108 WeakPolarHBondContact CA-OD1 3.47Å; G45-D108 PolarHBondContact N-OD1 3.29Å; G45-D108 PolarHBondContact O-N 3.23Å |
| 109 | G | 92.4 | Very high | 96.4 | Very high | 30 Ų | 30 | 49.7 Ų | 49.7 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -6.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L43 C106 K107 F111 | L43-G109 PolarHBondContact O-N 2.96Å; C106-G109 VanDerWaalsContact SG-CA 3.57Å; K107-G109 PolarHBondContact O-N 3.18Å; K107-G109 VanDerWaalsContact O-N 3.15Å; G109-F111 WeakPolarHBondContact O-CD2 3.46Å; G109-F111 WeakPolarHBondContact O-CE2 3.43Å; G109-F111 PolarHBondContact O-N 3.4Å |
| 110 | E | 94.6 | Very high | 96.4 | Very high | 98 Ų | 98 | 50.3 Ų | 50.3 | 46% | 0.458 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 92.2 | 175 | -63.6 | -167 | 158 | 0 | 0 | 112.6 | K107 R112 P137 | K107-E110 PolarHBondContact N-O 2.58Å; K107-E110 WeakPolarHBondContact O-CB 3.35Å; K107-E110 PolarHBondContact O-N 2.91Å; E110-R112 PolarHBondContact O-NH1 3.02Å; E110-R112 IonicContact OE2-CZ 3.8Å; E110-R112 IonicContact OE2-NH1 3.56Å; E110-R112 PolarHBondContact OE2-NH1 3.14Å; E110-R112 IonicContact OE2-NH2 3.23Å; E110-R112 PolarHBondContact OE2-NH2 3.34Å; E110-P137 HydrophobicContact CB-CB 4.37Å |
| 111 | F | 95.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 133.1 | 177.4 | -64 | -91.5 | 0 | 0 | 0 | 112.4 | L42 L43 I49 F95 Y104 H105 C106 G109 P137 V138 P144 | L42-F111 HydrophobicContact CB-CE1 4.27Å; L42-F111 HydrophobicContact CB-CZ 4.14Å; L43-F111 HydrophobicContact CD2-CE2 3.84Å; L43-F111 HydrophobicContact CD2-CZ 4.04Å; I49-F111 HydrophobicContact CD1-CD1 4.46Å; I49-F111 HydrophobicContact CD1-CE1 4.07Å; F95-F111 AromaticContact CE1-CD1 3.6Å; F95-F111 HydrophobicContact CE1-CD1 3.6Å; F95-F111 AromaticContact CE1-CE1 3.51Å; F95-F111 HydrophobicContact CE1-CE1 3.51Å; F95-F111 HydrophobicContact CE1-CG 4.4Å; F95-F111 HydrophobicContact CE1-CZ 4.29Å; F95-F111 HydrophobicContact CZ-CD1 4.29Å; F95-F111 AromaticContact CZ-CE1 3.73Å; F95-F111 HydrophobicContact CZ-CE1 3.73Å; F95-F111 HydrophobicContact CZ-CZ 4.2Å; Y104-F111 HydrophobicContact CD1-CB 4.28Å; H105-F111 CarbonylContact O-C 3.53Å; H105-F111 WeakPolarHBondContact O-CA 3.32Å; C106-F111 HydrophobicContact CB-CD1 3.57Å; C106-F111 HydrophobicContact CB-CE1 3.46Å; C106-F111 VanDerWaalsContact CB-CE1 3.46Å; C106-F111 HydrophobicContact CB-CG 4.2Å; C106-F111 HydrophobicContact CB-CZ 3.98Å; C106-F111 WeakPolarHBondContact SG-CE1 3.38Å; C106-F111 WeakPolarHBondContact SG-CE2 3.42Å; C106-F111 WeakPolarHBondContact SG-CZ 3.49Å; G109-F111 WeakPolarHBondContact O-CD2 3.46Å; G109-F111 WeakPolarHBondContact O-CE2 3.43Å; G109-F111 PolarHBondContact O-N 3.4Å; F111-P137 CarbonylContact O-C 3.52Å; F111-P137 WeakPolarHBondContact O-CA 3.18Å; F111-V138 PolarHBondContact O-N 3Å; F111-P144 HydrophobicContact CD1-CG 4.27Å; F111-P144 VanDerWaalsContact CD2-CD 3.42Å; F111-P144 HydrophobicContact CD2-CG 3.5Å; F111-P144 HydrophobicContact CE1-CG 3.99Å; F111-P144 HydrophobicContact CE2-CG 3.2Å; F111-P144 HydrophobicContact CG-CG 4.04Å; F111-P144 HydrophobicContact CZ-CG 3.47Å; F111-P144 VanDerWaalsContact CZ-CG 3.47Å |
| 112 | R | 96.3 | Very high | 96.4 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 128.9 | 178.2 | -71.4 | 168.1 | 172.1 | 84.1 | 1.1 | 108.7 | Y104 H105 E110 Y114 W132 I135 P137 | Y104-R112 WeakPolarHBondContact CA-O 3.35Å; H105-R112 HydrophobicContact CB-CB 4.43Å; H105-R112 PolarHBondContact N-O 3.23Å; H105-R112 PolarHBondContact O-N 2.88Å; E110-R112 PolarHBondContact O-NH1 3.02Å; E110-R112 IonicContact OE2-CZ 3.8Å; E110-R112 IonicContact OE2-NH1 3.56Å; E110-R112 PolarHBondContact OE2-NH1 3.14Å; E110-R112 IonicContact OE2-NH2 3.23Å; E110-R112 PolarHBondContact OE2-NH2 3.34Å; R112-Y114 PolarHBondContact O-N 2.58Å; R112-W132 VanDerWaalsContact CD-O 3.27Å; R112-W132 WeakPolarHBondContact CD-O 3.49Å; R112-W132 PolarHBondContact NE-O 3.37Å; R112-W132 VanDerWaalsContact NE-O 3.15Å; R112-I135 HydrophobicContact CB-CG2 4.11Å; R112-I135 HydrophobicContact CG-CG2 4.39Å; R112-I135 PolarHBondContact NE-O 3.09Å; R112-I135 VanDerWaalsContact NE-O 3.12Å; R112-P137 HydrophobicContact CG-CB 4.14Å |
| 113 | R | 95.9 | Very high | 96.4 | Very high | 125 Ų | 125 | 55.7 Ų | 55.7 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 123 | 177.5 | -167.8 | 179.1 | 67.7 | -171.8 | 0.7 | 109.6 | T102 Y104 | T102-R113 HydrophobicContact CG2-CG 4.48Å; Y104-R113 HydrophobicContact CD1-CB 4.21Å; Y104-R113 HydrophobicContact CE1-CB 3.75Å; Y104-R113 HydrophobicContact CE1-CG 4.23Å; Y104-R113 HydrophobicContact CE2-CG 4.49Å |
| 114 | Y | 97.3 | Very high | 96.4 | Very high | 19 Ų | 19 | 57 Ų | 57 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | trans | -70.5 | 138.9 | 176.3 | -176.2 | -97.1 | 0 | 0 | 0 | 110.6 | I103 R112 G116 P117 D122 F123 F126 | I103-Y114 HydrophobicContact CD1-CD1 4.43Å; I103-Y114 HydrophobicContact CG2-CG 4.28Å; I103-Y114 PolarHBondContact O-N 3.03Å; R112-Y114 PolarHBondContact O-N 2.58Å; Y114-G116 VanDerWaalsContact CE1-C 3.46Å; Y114-G116 WeakPolarHBondContact CE1-O 3.5Å; Y114-P117 PolarHBondContact OH-O 2.87Å; Y114-D122 WeakPolarHBondContact OH-CB 3.15Å; Y114-F123 HydrophobicContact CD1-CE1 4.02Å; Y114-F123 HydrophobicContact CE1-CD1 4.04Å; Y114-F123 AromaticContact CE1-CE1 3.57Å; Y114-F123 HydrophobicContact CE1-CE1 3.57Å; Y114-F123 HydrophobicContact CE2-CD1 4.3Å; Y114-F123 AromaticContact CZ-CD1 3.86Å; Y114-F123 AromaticContact CZ-CE1 3.9Å; Y114-F126 AromaticContact CD2-CD1 3.95Å; Y114-F126 HydrophobicContact CD2-CD1 3.95Å; Y114-F126 AromaticContact CD2-CD2 3.79Å; Y114-F126 HydrophobicContact CD2-CD2 3.79Å; Y114-F126 AromaticContact CD2-CE1 3.89Å; Y114-F126 HydrophobicContact CD2-CE1 3.89Å; Y114-F126 AromaticContact CD2-CE2 3.73Å; Y114-F126 HydrophobicContact CD2-CE2 3.73Å; Y114-F126 AromaticContact CD2-CG 3.9Å; Y114-F126 HydrophobicContact CD2-CG 3.9Å; Y114-F126 AromaticContact CD2-CZ 3.76Å; Y114-F126 HydrophobicContact CD2-CZ 3.76Å; Y114-F126 HydrophobicContact CE2-CB 3.92Å; Y114-F126 AromaticContact CE2-CD1 4Å; Y114-F126 HydrophobicContact CE2-CD1 4Å; Y114-F126 AromaticContact CE2-CD2 3.56Å; Y114-F126 HydrophobicContact CE2-CD2 3.56Å; Y114-F126 HydrophobicContact CE2-CE1 4.38Å; Y114-F126 AromaticContact CE2-CE2 4Å; Y114-F126 HydrophobicContact CE2-CE2 4Å; Y114-F126 AromaticContact CE2-CG 3.56Å; Y114-F126 HydrophobicContact CE2-CG 3.56Å; Y114-F126 HydrophobicContact CE2-CZ 4.37Å | ||
| 115 | Q | 94.6 | Very high | 96.4 | Very high | 135 Ų | 135 | 58.2 Ų | 58.2 | 63% | 0.631 | 29% | 0.29 | S | S | * | . | trans | -134.4 | 6.4 | -175 | -64.5 | -177.4 | 109.4 | 0 | 0 | 113.3 | ||||
| 116 | G | 95.5 | Very high | 96.4 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -81.2 | -178.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y114 | Y114-G116 VanDerWaalsContact CE1-C 3.46Å; Y114-G116 WeakPolarHBondContact CE1-O 3.5Å |
| 117 | P | 96.7 | Very high | 96.4 | Very high | 80 Ų | 80 | 58.8 Ų | 58.8 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | trans | -65.6 | 140.5 | 172.5 | -8.2 | 24 | 0 | 0 | 0 | 110 | Y114 T119 D122 | Y114-P117 PolarHBondContact OH-O 2.87Å; P117-T119 VanDerWaalsContact C-N 3.29Å; P117-T119 PolarHBondContact O-N 3.3Å; P117-D122 WeakPolarHBondContact CB-OD2 3.23Å; P117-D122 HydrophobicContact CG-CB 4.48Å; P117-D122 WeakPolarHBondContact O-CB 3.15Å | ||
| 118 | R | 97 | Very high | 96.4 | Very high | 127 Ų | 127 | 58.9 Ų | 58.9 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | trans | -88.3 | 61.3 | -174.8 | -56.4 | -171.1 | -173.7 | 88.7 | -14.1 | 112.1 | L62 P101 I103 F123 | L62-R118 HydrophobicContact CD1-CB 3.82Å; P101-R118 PolarHBondContact O-NE 3.35Å; P101-R118 PolarHBondContact O-NH2 3.19Å; I103-R118 HydrophobicContact CD1-CG 4.2Å; R118-F123 HydrophobicContact CB-CZ 3.92Å; R118-F123 HydrophobicContact CG-CZ 4.49Å | ||
| 119 | T | 97.4 | Very high | 96.6 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -119 | 153.7 | 174.2 | 90.6 | 0 | 0 | 0 | 0 | 111 | P117 K121 D122 F123 | P117-T119 VanDerWaalsContact C-N 3.29Å; P117-T119 PolarHBondContact O-N 3.3Å; T119-K121 PolarHBondContact O-N 3.37Å; T119-K121 PolarHBondContact OG1-N 3.2Å; T119-D122 WeakPolarHBondContact CB-OD2 3.5Å; T119-D122 WeakPolarHBondContact CG2-OD2 3.37Å; T119-D122 PolarHBondContact O-N 2.84Å; T119-D122 VanDerWaalsContact O-N 3.08Å; T119-D122 PolarHBondContact OG1-N 2.99Å; T119-D122 PolarHBondContact OG1-OD2 2.88Å; T119-F123 WeakPolarHBondContact O-CD2 3.23Å; T119-F123 WeakPolarHBondContact O-CG 3.14Å; T119-F123 PolarHBondContact O-N 2.84Å |
| 120 | K | 96.6 | Very high | 96.8 | Very high | 71 Ų | 71 | 62.2 Ų | 62.2 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -49.8 | -42.4 | 174.9 | 176.8 | 179.4 | 72.4 | -178 | 0 | 112.3 | E65 S68 F69 F123 I124 | E65-K120 WeakPolarHBondContact OE2-CB 3.38Å; E65-K120 PolarHBondContact OE2-N 3.2Å; S68-K120 WeakPolarHBondContact O-CD 3.45Å; F69-K120 HydrophobicContact CB-CG 4.22Å; K120-F123 PolarHBondContact O-N 3.04Å; K120-I124 HydrophobicContact CD-CD1 4.25Å; K120-I124 HydrophobicContact CG-CD1 3.74Å; K120-I124 HydrophobicContact CG-CG1 4.35Å; K120-I124 VanDerWaalsContact O-CG1 3.27Å; K120-I124 WeakPolarHBondContact O-CG1 3.46Å; K120-I124 PolarHBondContact O-N 2.96Å |
| 121 | K | 97.4 | Very high | 96.9 | Very high | 139 Ų | 139 | 61.8 Ų | 61.8 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.5 | -45.6 | -178.5 | -173.7 | -167.6 | 170.9 | -164.6 | 0 | 110.6 | T119 F123 I124 N125 | T119-K121 PolarHBondContact O-N 3.37Å; T119-K121 PolarHBondContact OG1-N 3.2Å; K121-F123 VanDerWaalsContact C-N 3.32Å; K121-F123 PolarHBondContact O-N 3.04Å; K121-I124 PolarHBondContact O-N 2.87Å; K121-N125 WeakPolarHBondContact O-CB 3.4Å; K121-N125 PolarHBondContact O-N 3.27Å; K121-N125 PolarHBondContact O-OD1 3.28Å |
| 122 | D | 97.9 | Very high | 96.9 | Very high | 41 Ų | 41 | 62.9 Ų | 62.9 | 22% | 0.219 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.3 | -30.7 | -178.1 | -54.4 | -61.8 | 0 | 0 | 0 | 111.4 | Y114 P117 T119 F126 | Y114-D122 WeakPolarHBondContact OH-CB 3.15Å; P117-D122 WeakPolarHBondContact CB-OD2 3.23Å; P117-D122 HydrophobicContact CG-CB 4.48Å; P117-D122 WeakPolarHBondContact O-CB 3.15Å; T119-D122 WeakPolarHBondContact CB-OD2 3.5Å; T119-D122 WeakPolarHBondContact CG2-OD2 3.37Å; T119-D122 PolarHBondContact O-N 2.84Å; T119-D122 VanDerWaalsContact O-N 3.08Å; T119-D122 PolarHBondContact OG1-N 2.99Å; T119-D122 PolarHBondContact OG1-OD2 2.88Å; D122-F126 WeakPolarHBondContact O-CB 3.13Å; D122-F126 PolarHBondContact O-N 2.92Å |
| 123 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.3 | -43.2 | 170 | -59.1 | -43.7 | 0 | 0 | 0 | 112.9 | M48 L62 W66 F69 I103 Y114 R118 T119 K120 K121 F126 I127 | M48-F123 HydrophobicContact CE-CD1 3.8Å; M48-F123 HydrophobicContact CE-CE1 4.42Å; M48-F123 HydrophobicContact CE-CG 4.4Å; L62-F123 HydrophobicContact CD1-CE2 4.13Å; L62-F123 HydrophobicContact CD1-CZ 4.07Å; W66-F123 HydrophobicContact CE3-CD2 4.08Å; W66-F123 HydrophobicContact CE3-CE1 4.46Å; W66-F123 AromaticContact CE3-CE2 3.66Å; W66-F123 HydrophobicContact CE3-CE2 3.66Å; W66-F123 AromaticContact CE3-CZ 3.87Å; W66-F123 HydrophobicContact CE3-CZ 3.87Å; W66-F123 HydrophobicContact CZ3-CD1 4.24Å; W66-F123 HydrophobicContact CZ3-CD2 4.23Å; W66-F123 AromaticContact CZ3-CE1 3.96Å; W66-F123 HydrophobicContact CZ3-CE1 3.96Å; W66-F123 AromaticContact CZ3-CE2 3.96Å; W66-F123 HydrophobicContact CZ3-CE2 3.96Å; W66-F123 HydrophobicContact CZ3-CG 4.38Å; W66-F123 AromaticContact CZ3-CZ 3.81Å; W66-F123 HydrophobicContact CZ3-CZ 3.81Å; F69-F123 HydrophobicContact CB-CB 4.39Å; F69-F123 HydrophobicContact CB-CD2 4.08Å; F69-F123 HydrophobicContact CD1-CB 3.94Å; F69-F123 HydrophobicContact CD1-CD2 4.15Å; F69-F123 HydrophobicContact CD1-CG 4.22Å; F69-F123 HydrophobicContact CD2-CB 3.56Å; F69-F123 HydrophobicContact CE1-CB 4.09Å; F69-F123 HydrophobicContact CE2-CB 3.72Å; F69-F123 HydrophobicContact CG-CB 3.68Å; F69-F123 HydrophobicContact CG-CD2 4.07Å; F69-F123 HydrophobicContact CG-CG 4.24Å; F69-F123 HydrophobicContact CZ-CB 4Å; I103-F123 HydrophobicContact CD1-CE1 3.67Å; I103-F123 HydrophobicContact CD1-CZ 3.58Å; Y114-F123 HydrophobicContact CD1-CE1 4.02Å; Y114-F123 HydrophobicContact CE1-CD1 4.04Å; Y114-F123 AromaticContact CE1-CE1 3.57Å; Y114-F123 HydrophobicContact CE1-CE1 3.57Å; Y114-F123 HydrophobicContact CE2-CD1 4.3Å; Y114-F123 AromaticContact CZ-CD1 3.86Å; Y114-F123 AromaticContact CZ-CE1 3.9Å; R118-F123 HydrophobicContact CB-CZ 3.92Å; R118-F123 HydrophobicContact CG-CZ 4.49Å; T119-F123 WeakPolarHBondContact O-CD2 3.23Å; T119-F123 WeakPolarHBondContact O-CG 3.14Å; T119-F123 PolarHBondContact O-N 2.84Å; K120-F123 PolarHBondContact O-N 3.04Å; K121-F123 VanDerWaalsContact C-N 3.32Å; K121-F123 PolarHBondContact O-N 3.04Å; F123-F126 PolarHBondContact O-N 2.92Å; F123-I127 PolarHBondContact O-N 3.32Å |
| 124 | I | 97.3 | Very high | 96.9 | Very high | 31 Ų | 31 | 67.7 Ų | 67.7 | 16% | 0.159 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.2 | -50.1 | 175.8 | -70.6 | 169.8 | 0 | 0 | 0 | 110.4 | F69 W72 L76 K120 K121 F126 I127 S128 | F69-I124 HydrophobicContact CD2-CG1 4.09Å; W72-I124 HydrophobicContact CB-CD1 4.37Å; W72-I124 HydrophobicContact CB-CG1 4.39Å; W72-I124 HydrophobicContact CD2-CD1 3.91Å; W72-I124 HydrophobicContact CE3-CD1 4.45Å; W72-I124 HydrophobicContact CG-CD1 3.83Å; W72-I124 HydrophobicContact CG-CG1 4.37Å; L76-I124 HydrophobicContact CD1-CB 4.33Å; L76-I124 HydrophobicContact CD1-CG1 4.07Å; L76-I124 HydrophobicContact CD1-CG2 4.22Å; K120-I124 HydrophobicContact CD-CD1 4.25Å; K120-I124 HydrophobicContact CG-CD1 3.74Å; K120-I124 HydrophobicContact CG-CG1 4.35Å; K120-I124 VanDerWaalsContact O-CG1 3.27Å; K120-I124 WeakPolarHBondContact O-CG1 3.46Å; K120-I124 PolarHBondContact O-N 2.96Å; K121-I124 PolarHBondContact O-N 2.87Å; I124-F126 PolarHBondContact O-N 3.08Å; I124-I127 PolarHBondContact O-N 3.27Å; I124-S128 VanDerWaalsContact O-CB 3.24Å; I124-S128 WeakPolarHBondContact O-CB 3.4Å; I124-S128 PolarHBondContact O-N 3.48Å |
| 125 | N | 97.5 | Very high | 96.8 | Very high | 52 Ų | 52 | 68.3 Ų | 68.3 | 28% | 0.278 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.5 | -47.4 | 177.7 | -82.2 | 36.6 | 0 | 0 | 0 | 111.8 | K121 I127 S128 D129 | K121-N125 WeakPolarHBondContact O-CB 3.4Å; K121-N125 PolarHBondContact O-N 3.27Å; K121-N125 PolarHBondContact O-OD1 3.28Å; N125-I127 VanDerWaalsContact C-N 3.25Å; N125-I127 PolarHBondContact O-N 2.93Å; N125-S128 PolarHBondContact O-N 2.85Å; N125-D129 WeakPolarHBondContact O-CB 3.48Å; N125-D129 PolarHBondContact O-N 3.47Å |
| 126 | F | 98 | Very high | 96.8 | Very high | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.5 | -36.7 | -178 | 176.4 | -100.3 | 0 | 0 | 0 | 113.6 | M48 H105 Y114 D122 F123 I124 K130 E131 W132 I135 | M48-F126 HydrophobicContact CE-CD1 4.25Å; M48-F126 HydrophobicContact CE-CE1 4.47Å; M48-F126 HydrophobicContact SD-CD1 4.21Å; M48-F126 HydrophobicContact SD-CE1 3.97Å; H105-F126 HydrophobicContact CB-CE1 3.8Å; H105-F126 HydrophobicContact CB-CZ 4.14Å; H105-F126 AromaticContact CD2-CE1 3.71Å; H105-F126 AromaticContact CG-CE1 3.94Å; Y114-F126 AromaticContact CD2-CD1 3.95Å; Y114-F126 HydrophobicContact CD2-CD1 3.95Å; Y114-F126 AromaticContact CD2-CD2 3.79Å; Y114-F126 HydrophobicContact CD2-CD2 3.79Å; Y114-F126 AromaticContact CD2-CE1 3.89Å; Y114-F126 HydrophobicContact CD2-CE1 3.89Å; Y114-F126 AromaticContact CD2-CE2 3.73Å; Y114-F126 HydrophobicContact CD2-CE2 3.73Å; Y114-F126 AromaticContact CD2-CG 3.9Å; Y114-F126 HydrophobicContact CD2-CG 3.9Å; Y114-F126 AromaticContact CD2-CZ 3.76Å; Y114-F126 HydrophobicContact CD2-CZ 3.76Å; Y114-F126 HydrophobicContact CE2-CB 3.92Å; Y114-F126 AromaticContact CE2-CD1 4Å; Y114-F126 HydrophobicContact CE2-CD1 4Å; Y114-F126 AromaticContact CE2-CD2 3.56Å; Y114-F126 HydrophobicContact CE2-CD2 3.56Å; Y114-F126 HydrophobicContact CE2-CE1 4.38Å; Y114-F126 AromaticContact CE2-CE2 4Å; Y114-F126 HydrophobicContact CE2-CE2 4Å; Y114-F126 AromaticContact CE2-CG 3.56Å; Y114-F126 HydrophobicContact CE2-CG 3.56Å; Y114-F126 HydrophobicContact CE2-CZ 4.37Å; D122-F126 WeakPolarHBondContact O-CB 3.13Å; D122-F126 PolarHBondContact O-N 2.92Å; F123-F126 PolarHBondContact O-N 2.92Å; I124-F126 PolarHBondContact O-N 3.08Å; F126-K130 WeakPolarHBondContact O-CA 3.19Å; F126-K130 PolarHBondContact O-N 3.45Å; F126-E131 WeakPolarHBondContact CA-OE2 3.32Å; F126-E131 HydrophobicContact CD2-CB 3.72Å; F126-E131 HydrophobicContact CE2-CB 4.32Å; F126-E131 HydrophobicContact CG-CB 4.48Å; F126-E131 PolarHBondContact O-N 2.93Å; F126-E131 VanDerWaalsContact O-N 3.15Å; F126-W132 HydrophobicContact CE1-CB 3.93Å; F126-W132 HydrophobicContact CE2-CB 3.94Å; F126-W132 HydrophobicContact CZ-CB 3.49Å; F126-W132 VanDerWaalsContact CZ-CB 3.49Å; F126-I135 HydrophobicContact CE2-CD1 3.7Å; F126-I135 HydrophobicContact CZ-CD1 4.21Å |
| 127 | I | 97.7 | Very high | 96.8 | Very high | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.036 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -82.4 | -50.4 | 176 | -58.5 | -60.7 | 0 | 0 | 0 | 111.7 | M48 F69 L76 V78 F123 I124 N125 K130 | M48-I127 HydrophobicContact CG-CD1 3.84Å; M48-I127 HydrophobicContact CG-CG1 4.38Å; M48-I127 HydrophobicContact SD-CD1 4.21Å; F69-I127 HydrophobicContact CZ-CG1 4.29Å; L76-I127 HydrophobicContact CB-CG2 4.1Å; V78-I127 HydrophobicContact CB-CG2 4.2Å; V78-I127 HydrophobicContact CG1-CG1 4.37Å; V78-I127 HydrophobicContact CG1-CG2 4.13Å; V78-I127 HydrophobicContact CG2-CD1 4.19Å; F123-I127 PolarHBondContact O-N 3.32Å; I124-I127 PolarHBondContact O-N 3.27Å; N125-I127 VanDerWaalsContact C-N 3.25Å; N125-I127 PolarHBondContact O-N 2.93Å; I127-K130 WeakPolarHBondContact O-CG 3.21Å; I127-K130 PolarHBondContact O-N 3.26Å |
| 128 | S | 97.1 | Very high | 96.6 | Very high | 61 Ų | 61 | 70.1 Ų | 70.1 | 43% | 0.427 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -53.5 | -56.8 | 179.7 | 166.4 | 0 | 0 | 0 | 0 | 112.1 | I124 N125 K130 | I124-S128 VanDerWaalsContact O-CB 3.24Å; I124-S128 WeakPolarHBondContact O-CB 3.4Å; I124-S128 PolarHBondContact O-N 3.48Å; N125-S128 PolarHBondContact O-N 2.85Å; S128-K130 PolarHBondContact O-N 2.83Å |
| 129 | D | 97.3 | Very high | 96.2 | Very high | 100 Ų | 100 | 67.1 Ų | 67.1 | 54% | 0.535 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -4.2 | -170.5 | -54.1 | -9.6 | 0 | 0 | 0 | 110.7 | N125 E131 | N125-D129 WeakPolarHBondContact O-CB 3.48Å; N125-D129 PolarHBondContact O-N 3.47Å; D129-E131 VanDerWaalsContact C-N 3.3Å; D129-E131 HydrophobicContact CB-CG 4.45Å; D129-E131 PolarHBondContact O-N 3.03Å |
| 130 | K | 96.9 | Very high | 95.7 | Very high | 107 Ų | 107 | 70.1 Ų | 70.1 | 47% | 0.465 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 38.6 | 173.2 | -59.4 | 169.8 | -170.1 | -178.8 | 0 | 112 | F126 I127 S128 W132 K133 | F126-K130 WeakPolarHBondContact O-CA 3.19Å; F126-K130 PolarHBondContact O-N 3.45Å; I127-K130 WeakPolarHBondContact O-CG 3.21Å; I127-K130 PolarHBondContact O-N 3.26Å; S128-K130 PolarHBondContact O-N 2.83Å; K130-W132 HydrophobicContact CB-CZ2 4.21Å; K130-W132 HydrophobicContact CD-CZ2 4.48Å; K130-W132 HydrophobicContact CG-CZ2 4.21Å; K130-W132 PolarHBondContact O-N 3.17Å; K130-W132 VanDerWaalsContact O-N 3.14Å; K130-K133 HydrophobicContact CB-CD 4.09Å; K130-K133 HydrophobicContact CB-CG 4.37Å; K130-K133 VanDerWaalsContact O-CB 3.32Å; K130-K133 WeakPolarHBondContact O-CB 3.47Å; K130-K133 WeakPolarHBondContact O-CG 3.31Å; K130-K133 PolarHBondContact O-N 3.42Å |
| 131 | E | 96.8 | Very high | 95.1 | Very high | 90 Ų | 90 | 75 Ų | 75 | 42% | 0.421 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -55.4 | -29.1 | 176.9 | -62.2 | -172 | 143.9 | 0 | 0 | 112.1 | F126 D129 K133 S134 | F126-E131 WeakPolarHBondContact CA-OE2 3.32Å; F126-E131 HydrophobicContact CD2-CB 3.72Å; F126-E131 HydrophobicContact CE2-CB 4.32Å; F126-E131 HydrophobicContact CG-CB 4.48Å; F126-E131 PolarHBondContact O-N 2.93Å; F126-E131 VanDerWaalsContact O-N 3.15Å; D129-E131 VanDerWaalsContact C-N 3.3Å; D129-E131 HydrophobicContact CB-CG 4.45Å; D129-E131 PolarHBondContact O-N 3.03Å; E131-K133 PolarHBondContact O-N 3.45Å; E131-S134 WeakPolarHBondContact O-CB 3.34Å; E131-S134 PolarHBondContact O-N 3.34Å; E131-S134 PolarHBondContact O-OG 2.84Å |
| 132 | W | 96.2 | Very high | 94.7 | Very high | 28 Ų | 28 | 73.5 Ų | 73.5 | 11% | 0.106 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -51.1 | -25.6 | 172.2 | 56.4 | -103 | 0 | 0 | 0 | 114 | H105 K107 R112 F126 K130 S134 I135 | H105-W132 AromaticContact CE1-CD2 3.74Å; H105-W132 AromaticContact CE1-CG 3.61Å; H105-W132 AromaticContact NE2-CD1 3.39Å; H105-W132 AromaticContact NE2-CD2 3.78Å; H105-W132 AromaticContact NE2-CG 3.4Å; H105-W132 AromaticContact NE2-NE1 3.75Å; K107-W132 HydrophobicContact CD-CH2 3.57Å; K107-W132 HydrophobicContact CD-CZ2 3.73Å; K107-W132 HydrophobicContact CD-CZ3 4.13Å; R112-W132 VanDerWaalsContact CD-O 3.27Å; R112-W132 WeakPolarHBondContact CD-O 3.49Å; R112-W132 PolarHBondContact NE-O 3.37Å; R112-W132 VanDerWaalsContact NE-O 3.15Å; F126-W132 HydrophobicContact CE1-CB 3.93Å; F126-W132 HydrophobicContact CE2-CB 3.94Å; F126-W132 HydrophobicContact CZ-CB 3.49Å; F126-W132 VanDerWaalsContact CZ-CB 3.49Å; K130-W132 HydrophobicContact CB-CZ2 4.21Å; K130-W132 HydrophobicContact CD-CZ2 4.48Å; K130-W132 HydrophobicContact CG-CZ2 4.21Å; K130-W132 PolarHBondContact O-N 3.17Å; K130-W132 VanDerWaalsContact O-N 3.14Å; W132-S134 PolarHBondContact O-N 3.08Å; W132-I135 PolarHBondContact O-N 3.45Å; W132-I135 VanDerWaalsContact O-N 3.11Å |
| 133 | K | 96.3 | Very high | 94.2 | Very high | 141 Ų | 141 | 72 Ų | 72 | 61% | 0.613 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -64.9 | -23 | 174.4 | -67.9 | 178.4 | 176.3 | -178.1 | 0 | 113.9 | K130 E131 | K130-K133 HydrophobicContact CB-CD 4.09Å; K130-K133 HydrophobicContact CB-CG 4.37Å; K130-K133 VanDerWaalsContact O-CB 3.32Å; K130-K133 WeakPolarHBondContact O-CB 3.47Å; K130-K133 WeakPolarHBondContact O-CG 3.31Å; K130-K133 PolarHBondContact O-N 3.42Å; E131-K133 PolarHBondContact O-N 3.45Å |
| 134 | S | 95.4 | Very high | 93.6 | Very high | 104 Ų | 104 | 72.2 Ų | 72.2 | 73% | 0.727 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -85.3 | -11.2 | 175.1 | 71.4 | 0 | 0 | 0 | 0 | 113.3 | E131 W132 | E131-S134 WeakPolarHBondContact O-CB 3.34Å; E131-S134 PolarHBondContact O-N 3.34Å; E131-S134 PolarHBondContact O-OG 2.84Å; W132-S134 PolarHBondContact O-N 3.08Å |
| 135 | I | 95.8 | Very high | 93.2 | Very high | 33 Ų | 33 | 73.2 Ų | 73.2 | 17% | 0.169 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -95.9 | 123.2 | 178.5 | -56.6 | -171.6 | 0 | 0 | 0 | 109.2 | R112 F126 W132 | R112-I135 HydrophobicContact CB-CG2 4.11Å; R112-I135 HydrophobicContact CG-CG2 4.39Å; R112-I135 PolarHBondContact NE-O 3.09Å; R112-I135 VanDerWaalsContact NE-O 3.12Å; F126-I135 HydrophobicContact CE2-CD1 3.7Å; F126-I135 HydrophobicContact CZ-CD1 4.21Å; W132-I135 PolarHBondContact O-N 3.45Å; W132-I135 VanDerWaalsContact O-N 3.11Å |
| 136 | E | 93.8 | Very high | 92.9 | Very high | 176 Ų | 176 | 71.7 Ų | 71.7 | 82% | 0.822 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -60 | 130.5 | 172.9 | -63.2 | -175.7 | 165.3 | 0 | 0 | 110.5 | ||
| 137 | P | 95.1 | Very high | 92.7 | Very high | 58 Ų | 58 | 77.7 Ų | 77.7 | 38% | 0.377 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 151.8 | 175 | 29.9 | -34 | 0 | 0 | 0 | 111.3 | E110 F111 R112 S139 | E110-P137 HydrophobicContact CB-CB 4.37Å; F111-P137 CarbonylContact O-C 3.52Å; F111-P137 WeakPolarHBondContact O-CA 3.18Å; R112-P137 HydrophobicContact CG-CB 4.14Å; P137-S139 PolarHBondContact O-N 3.34Å |
| 138 | V | 92.6 | Very high | 92.5 | Very high | 51 Ų | 51 | 80.1 Ų | 80.1 | 31% | 0.309 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 129.3 | 168.6 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | Y104 F111 F142 | Y104-V138 HydrophobicContact CE1-CG2 3.98Å; F111-V138 PolarHBondContact O-N 3Å; V138-F142 HydrophobicContact CG1-CB 3.89Å |
| 139 | S | 89.8 | Confident | 92.3 | Very high | 64 Ų | 64 | 77.4 Ų | 77.4 | 45% | 0.448 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 145.3 | -177.7 | 71.8 | 0 | 0 | 0 | 0 | 111.4 | P137 W141 F142 G143 | P137-S139 PolarHBondContact O-N 3.34Å; S139-W141 PolarHBondContact O-N 2.75Å; S139-F142 CarbonylContact O-C 3.45Å; S139-F142 WeakPolarHBondContact O-CA 3.36Å; S139-F142 PolarHBondContact O-N 2.94Å; S139-G143 PolarHBondContact O-N 2.81Å |
| 140 | S | 86.2 | Confident | 92.1 | Very high | 114 Ų | 114 | 74.7 Ų | 74.7 | 80% | 0.797 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -21.4 | -174.4 | 53.2 | 0 | 0 | 0 | 0 | 114.8 | S146 | S140-S146 WeakPolarHBondContact O-CB 3.36Š|
| 141 | W | 85.1 | Confident | 92 | Very high | 173 Ų | 173 | 72.3 Ų | 72.3 | 66% | 0.655 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -37.8 | 172.7 | -168.4 | -97 | 0 | 0 | 0 | 113.1 | S139 S146 | S139-W141 PolarHBondContact O-N 2.75Å; W141-S146 WeakPolarHBondContact O-CB 3.32Å; W141-S146 PolarHBondContact O-OG 2.94Å |
| 142 | F | 87.3 | Confident | 91.9 | Very high | 108 Ų | 108 | 70.7 Ų | 70.7 | 47% | 0.474 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 4 | 175.6 | -60.8 | -66.3 | 0 | 0 | 0 | 113.2 | V138 S139 L148 M149 | V138-F142 HydrophobicContact CG1-CB 3.89Å; S139-F142 CarbonylContact O-C 3.45Å; S139-F142 WeakPolarHBondContact O-CA 3.36Å; S139-F142 PolarHBondContact O-N 2.94Å; F142-L148 HydrophobicContact CD1-CD2 4.12Å; F142-L148 HydrophobicContact CE1-CD2 3.89Å; F142-M149 HydrophobicContact CD1-CE 3.97Å; F142-M149 WeakPolarHBondContact O-CG 3.05Å |
| 143 | G | 87.3 | Confident | 91.9 | Very high | 10 Ų | 10 | 69.6 Ų | 69.6 | 10% | 0.103 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -69 | 145.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S139 G145 S146 M149 | S139-G143 PolarHBondContact O-N 2.81Å; G143-G145 PolarHBondContact O-N 2.93Å; G143-G145 VanDerWaalsContact O-N 3.08Å; G143-S146 VanDerWaalsContact O-CB 3.26Å; G143-S146 WeakPolarHBondContact O-CB 3.48Å; G143-S146 PolarHBondContact O-N 2.88Å; G143-S146 PolarHBondContact O-OG 2.99Å; G143-M149 WeakPolarHBondContact O-CB 3.45Å; G143-M149 WeakPolarHBondContact O-CG 3.33Å |
| 144 | P | 87 | Confident | 91.8 | Very high | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.032 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21.9 | -170.1 | 25.4 | -36.4 | 0 | 0 | 0 | 114.5 | W39 R94 F95 F111 S146 | W39-P144 HydrophobicContact CZ3-CB 4.42Å; R94-P144 WeakPolarHBondContact CD-O 3.23Å; R94-P144 HydrophobicContact CG-CB 3.37Å; R94-P144 WeakPolarHBondContact CG-O 3.34Å; R94-P144 PolarHBondContact NE-O 3.33Å; F95-P144 HydrophobicContact CD1-CB 4.42Å; F95-P144 HydrophobicContact CD1-CG 4.44Å; F95-P144 HydrophobicContact CD2-CB 4.19Å; F95-P144 HydrophobicContact CE1-CB 4.06Å; F95-P144 HydrophobicContact CE1-CG 3.79Å; F95-P144 HydrophobicContact CE2-CB 3.79Å; F95-P144 HydrophobicContact CE2-CG 4.3Å; F95-P144 HydrophobicContact CG-CB 4.49Å; F95-P144 HydrophobicContact CZ-CB 3.73Å; F95-P144 HydrophobicContact CZ-CG 3.71Å; F111-P144 HydrophobicContact CD1-CG 4.27Å; F111-P144 VanDerWaalsContact CD2-CD 3.42Å; F111-P144 HydrophobicContact CD2-CG 3.5Å; F111-P144 HydrophobicContact CE1-CG 3.99Å; F111-P144 HydrophobicContact CE2-CG 3.2Å; F111-P144 HydrophobicContact CG-CG 4.04Å; F111-P144 HydrophobicContact CZ-CG 3.47Å; F111-P144 VanDerWaalsContact CZ-CG 3.47Å; P144-S146 VanDerWaalsContact C-N 3.31Å |
| 145 | G | 87.4 | Confident | 91.8 | Very high | 52 Ų | 52 | 64.7 Ų | 64.7 | 54% | 0.536 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -4.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G143 | G143-G145 PolarHBondContact O-N 2.93Å; G143-G145 VanDerWaalsContact O-N 3.08Å |
| 146 | S | 91.9 | Very high | 91.7 | Very high | 19 Ų | 19 | 67.4 Ų | 67.4 | 13% | 0.133 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -75 | 159.1 | -176.9 | 96.8 | 0 | 0 | 0 | 0 | 112.8 | S140 W141 G143 P144 L148 M149 S150 | S140-S146 WeakPolarHBondContact O-CB 3.36Å; W141-S146 WeakPolarHBondContact O-CB 3.32Å; W141-S146 PolarHBondContact O-OG 2.94Å; G143-S146 VanDerWaalsContact O-CB 3.26Å; G143-S146 WeakPolarHBondContact O-CB 3.48Å; G143-S146 PolarHBondContact O-N 2.88Å; G143-S146 PolarHBondContact O-OG 2.99Å; P144-S146 VanDerWaalsContact C-N 3.31Å; S146-L148 VanDerWaalsContact C-N 3.25Å; S146-L148 PolarHBondContact O-N 3.38Å; S146-L148 PolarHBondContact OG-N 2.97Å; S146-M149 PolarHBondContact O-N 2.95Å; S146-M149 PolarHBondContact OG-N 2.66Å; S146-S150 WeakPolarHBondContact O-CB 3.44Å; S146-S150 PolarHBondContact O-N 3.41Å; S146-S150 PolarHBondContact O-OG 3.1Å |
| 147 | V | 93.5 | Very high | 91.7 | Very high | 131 Ų | 131 | 63 Ų | 63 | 79% | 0.794 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.7 | -35.5 | 173 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | S150 S151 | V147-S150 PolarHBondContact O-N 3.44Å; V147-S151 WeakPolarHBondContact O-CB 3.5Å; V147-S151 PolarHBondContact O-N 3.27Å |
| 148 | L | 93.5 | Very high | 91.7 | Very high | 58 Ų | 58 | 64.3 Ų | 64.3 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.8 | -45.8 | 177.2 | -174.8 | 67 | 0 | 0 | 0 | 111.2 | F142 S146 S150 S151 M152 | F142-L148 HydrophobicContact CD1-CD2 4.12Å; F142-L148 HydrophobicContact CE1-CD2 3.89Å; S146-L148 VanDerWaalsContact C-N 3.25Å; S146-L148 PolarHBondContact O-N 3.38Å; S146-L148 PolarHBondContact OG-N 2.97Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 3.04Å; L148-S151 WeakPolarHBondContact O-CB 3.25Å; L148-S151 PolarHBondContact O-N 2.63Å; L148-S151 VanDerWaalsContact O-N 3.15Å; L148-M152 HydrophobicContact CD1-CE 4.25Å; L148-M152 WeakPolarHBondContact O-CG 3.31Å; L148-M152 PolarHBondContact O-N 2.94Å |
| 149 | M | 93 | Very high | 91.8 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.015 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.3 | -30.8 | 178.3 | -66 | -52.4 | 91 | 0 | 0 | 112.2 | R94 I96 F142 G143 S146 S151 M152 S153 | R94-M149 HydrophobicContact CG-CB 4.47Å; R94-M149 WeakPolarHBondContact O-CB 3.43Å; I96-M149 HydrophobicContact CD1-CE 4.02Å; I96-M149 HydrophobicContact CD1-SD 3.75Å; I96-M149 HydrophobicContact CG1-SD 3.81Å; F142-M149 HydrophobicContact CD1-CE 3.97Å; F142-M149 WeakPolarHBondContact O-CG 3.05Å; G143-M149 WeakPolarHBondContact O-CB 3.45Å; G143-M149 WeakPolarHBondContact O-CG 3.33Å; S146-M149 PolarHBondContact O-N 2.95Å; S146-M149 PolarHBondContact OG-N 2.66Å; M149-S151 VanDerWaalsContact C-N 3.34Å; M149-M152 HydrophobicContact CE-CG 3.89Å; M149-M152 PolarHBondContact O-N 2.78Å; M149-S153 VanDerWaalsContact O-CB 3.32Å; M149-S153 WeakPolarHBondContact O-CB 3.39Å; M149-S153 PolarHBondContact O-N 3.33Å |
| 150 | S | 94.4 | Very high | 91.9 | Very high | 43 Ų | 43 | 65.6 Ų | 65.6 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.3 | -33 | 170.8 | -59.5 | 0 | 0 | 0 | 0 | 112.5 | R94 S146 V147 L148 S153 A154 | R94-S150 PolarHBondContact NH2-OG 2.95Å; S146-S150 WeakPolarHBondContact O-CB 3.44Å; S146-S150 PolarHBondContact O-N 3.41Å; S146-S150 PolarHBondContact O-OG 3.1Å; V147-S150 PolarHBondContact O-N 3.44Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 3.04Å; S150-S153 WeakPolarHBondContact O-CB 3.48Å; S150-A154 PolarHBondContact O-N 3.07Å; S150-A154 VanDerWaalsContact O-N 3.1Å |
| 151 | S | 94.8 | Very high | 92.3 | Very high | 58 Ų | 58 | 67.3 Ų | 67.3 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 169.3 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | V147 L148 M149 S153 A154 L155 | V147-S151 WeakPolarHBondContact O-CB 3.5Å; V147-S151 PolarHBondContact O-N 3.27Å; L148-S151 WeakPolarHBondContact O-CB 3.25Å; L148-S151 PolarHBondContact O-N 2.63Å; L148-S151 VanDerWaalsContact O-N 3.15Å; M149-S151 VanDerWaalsContact C-N 3.34Å; S151-S153 VanDerWaalsContact C-N 3.33Å; S151-S153 PolarHBondContact O-N 3.2Å; S151-A154 PolarHBondContact O-N 2.96Å; S151-L155 WeakPolarHBondContact O-CG 3.34Å; S151-L155 PolarHBondContact O-N 3.37Å |
| 152 | M | 94.2 | Very high | 92.8 | Very high | 55 Ų | 55 | 62.4 Ų | 62.4 | 27% | 0.271 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 174.5 | -65.7 | -58.5 | 107.6 | 0 | 0 | 111.8 | G93 L148 M149 A154 L155 F156 | G93-M152 WeakPolarHBondContact O-CB 3.34Å; L148-M152 HydrophobicContact CD1-CE 4.25Å; L148-M152 WeakPolarHBondContact O-CG 3.31Å; L148-M152 PolarHBondContact O-N 2.94Å; M149-M152 HydrophobicContact CE-CG 3.89Å; M149-M152 PolarHBondContact O-N 2.78Å; M152-A154 PolarHBondContact O-N 2.94Å; M152-L155 HydrophobicContact CE-CD1 3.72Å; M152-L155 PolarHBondContact O-N 2.88Å; M152-L155 HydrophobicContact SD-CD1 4.46Å; M152-F156 VanDerWaalsContact O-CD2 3.32Å; M152-F156 WeakPolarHBondContact O-CD2 3.26Å; M152-F156 PolarHBondContact O-N 3.49Å |
| 153 | S | 95.3 | Very high | 93.1 | Very high | 5 Ų | 5 | 64 Ų | 64 | 4% | 0.035 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.5 | -50.4 | 173.8 | -165.5 | 0 | 0 | 0 | 0 | 111.9 | G90 R94 M149 S150 S151 L155 F156 Q157 | G90-S153 VanDerWaalsContact C-OG 3.27Å; G90-S153 WeakPolarHBondContact CA-OG 3.34Å; G90-S153 WeakPolarHBondContact O-CA 3.36Å; G90-S153 WeakPolarHBondContact O-CB 3.24Å; G90-S153 PolarHBondContact O-OG 2.66Å; R94-S153 PolarHBondContact NH1-OG 3.39Å; R94-S153 VanDerWaalsContact NH1-OG 3.1Å; M149-S153 VanDerWaalsContact O-CB 3.32Å; M149-S153 WeakPolarHBondContact O-CB 3.39Å; M149-S153 PolarHBondContact O-N 3.33Å; S150-S153 WeakPolarHBondContact O-CB 3.48Å; S151-S153 VanDerWaalsContact C-N 3.33Å; S151-S153 PolarHBondContact O-N 3.2Å; S153-L155 PolarHBondContact O-N 3.3Å; S153-F156 PolarHBondContact O-N 2.87Å; S153-Q157 WeakPolarHBondContact O-CG 3.46Å; S153-Q157 PolarHBondContact O-N 3.43Å |
| 154 | A | 95.3 | Very high | 93.3 | Very high | 53 Ų | 53 | 66.2 Ų | 66.2 | 44% | 0.438 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S150 S151 M152 L158 | S150-A154 PolarHBondContact O-N 3.07Å; S150-A154 VanDerWaalsContact O-N 3.1Å; S151-A154 PolarHBondContact O-N 2.96Å; M152-A154 PolarHBondContact O-N 2.94Å; A154-L158 WeakPolarHBondContact O-CB 3.44Å; A154-L158 PolarHBondContact O-N 3.5Å |
| 155 | L | 94.8 | Very high | 93.7 | Very high | 89 Ų | 89 | 67.2 Ų | 67.2 | 47% | 0.466 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 176.2 | -72.2 | 169.9 | 0 | 0 | 0 | 112.5 | S151 M152 S153 S159 | S151-L155 WeakPolarHBondContact O-CG 3.34Å; S151-L155 PolarHBondContact O-N 3.37Å; M152-L155 HydrophobicContact CE-CD1 3.72Å; M152-L155 PolarHBondContact O-N 2.88Å; M152-L155 HydrophobicContact SD-CD1 4.46Å; S153-L155 PolarHBondContact O-N 3.3Å; L155-S159 WeakPolarHBondContact O-CB 3.45Å; L155-S159 PolarHBondContact O-N 3.24Å |
| 156 | F | 94.1 | Very high | 94 | Very high | 91 Ų | 91 | 66.3 Ų | 66.3 | 40% | 0.399 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69 | -43.8 | 175.7 | -88.1 | -122 | 0 | 0 | 0 | 111.8 | P89 M152 S153 S159 M160 | P89-F156 VanDerWaalsContact O-CB 3.31Å; P89-F156 WeakPolarHBondContact O-CB 3.32Å; M152-F156 VanDerWaalsContact O-CD2 3.32Å; M152-F156 WeakPolarHBondContact O-CD2 3.26Å; M152-F156 PolarHBondContact O-N 3.49Å; S153-F156 PolarHBondContact O-N 2.87Å; F156-S159 PolarHBondContact O-N 3.02Å; F156-M160 PolarHBondContact O-N 3.34Å |
| 157 | Q | 94 | Very high | 94.1 | Very high | 83 Ų | 83 | 69.2 Ų | 69.2 | 39% | 0.388 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 173.2 | -72.8 | 178.1 | -15.7 | 0 | 0 | 111.7 | D36 P89 S153 S159 M160 W161 | D36-Q157 PolarHBondContact OD2-NE2 2.79Å; P89-Q157 HydrophobicContact CG-CG 4.4Å; S153-Q157 WeakPolarHBondContact O-CG 3.46Å; S153-Q157 PolarHBondContact O-N 3.43Å; Q157-S159 PolarHBondContact O-N 3.46Å; Q157-M160 PolarHBondContact O-N 2.86Å; Q157-W161 WeakPolarHBondContact O-CB 3.39Å; Q157-W161 PolarHBondContact O-N 3.05Å |
| 158 | L | 94.6 | Very high | 94.2 | Very high | 85 Ų | 85 | 68.6 Ų | 68.6 | 45% | 0.445 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 175.6 | 179 | 65.7 | 0 | 0 | 0 | 112.1 | A154 M160 W161 I162 | A154-L158 WeakPolarHBondContact O-CB 3.44Å; A154-L158 PolarHBondContact O-N 3.5Å; L158-M160 PolarHBondContact O-N 3.44Å; L158-W161 HydrophobicContact CD1-CE3 3.89Å; L158-W161 HydrophobicContact CD1-CZ3 4.26Å; L158-W161 PolarHBondContact O-N 2.96Å; L158-I162 HydrophobicContact CD1-CD1 4.31Å; L158-I162 HydrophobicContact CD1-CG1 4.46Å; L158-I162 HydrophobicContact CG-CD1 4.09Å; L158-I162 VanDerWaalsContact O-CG1 3.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.4Å; L158-I162 PolarHBondContact O-N 2.99Å |
| 159 | S | 94.3 | Very high | 94.3 | Very high | 77 Ų | 77 | 67.8 Ų | 67.8 | 54% | 0.538 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 176.6 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | L155 F156 Q157 I162 R163 | L155-S159 WeakPolarHBondContact O-CB 3.45Å; L155-S159 PolarHBondContact O-N 3.24Å; F156-S159 PolarHBondContact O-N 3.02Å; Q157-S159 PolarHBondContact O-N 3.46Å; S159-I162 PolarHBondContact O-N 2.94Å; S159-R163 PolarHBondContact O-N 3.29Å; S159-R163 VanDerWaalsContact O-N 3.07Å |
| 160 | M | 92.6 | Very high | 94.3 | Very high | 65 Ų | 65 | 69.6 Ų | 69.6 | 32% | 0.32 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.9 | -36.3 | 177.1 | -75.6 | -77 | -82.7 | 0 | 0 | 112.8 | P89 F156 Q157 L158 R163 A164 | P89-M160 HydrophobicContact CB-CB 4.4Å; P89-M160 HydrophobicContact CB-CE 4.37Å; P89-M160 HydrophobicContact CB-CG 3.78Å; P89-M160 HydrophobicContact CG-CB 4.38Å; P89-M160 HydrophobicContact CG-CE 4.49Å; P89-M160 HydrophobicContact CG-CG 4.23Å; F156-M160 PolarHBondContact O-N 3.34Å; Q157-M160 PolarHBondContact O-N 2.86Å; L158-M160 PolarHBondContact O-N 3.44Å; M160-R163 PolarHBondContact O-N 2.69Å; M160-R163 PolarHBondContact SD-NH2 3.45Å; M160-A164 PolarHBondContact O-N 2.91Å |
| 161 | W | 94.6 | Very high | 94.3 | Very high | 151 Ų | 151 | 74.8 Ų | 74.8 | 57% | 0.572 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.6 | -44.1 | 173.4 | 174.4 | 81.4 | 0 | 0 | 0 | 112.3 | Q157 L158 R163 A164 C165 | Q157-W161 WeakPolarHBondContact O-CB 3.39Å; Q157-W161 PolarHBondContact O-N 3.05Å; L158-W161 HydrophobicContact CD1-CE3 3.89Å; L158-W161 HydrophobicContact CD1-CZ3 4.26Å; L158-W161 PolarHBondContact O-N 2.96Å; W161-R163 VanDerWaalsContact C-N 3.29Å; W161-R163 PolarHBondContact O-N 3.27Å; W161-A164 PolarHBondContact O-N 2.89Å; W161-A164 VanDerWaalsContact O-N 3.15Å; W161-C165 VanDerWaalsContact CE2-SG 3.54Å; W161-C165 PolarHBondContact O-N 2.98Å; W161-C165 PolarHBondContact O-SG 3.37Å |
| 162 | I | 94.3 | Very high | 94.1 | Very high | 69 Ų | 69 | 77.6 Ų | 77.6 | 35% | 0.354 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 173.6 | -69.7 | 166.7 | 0 | 0 | 0 | 110.2 | L158 S159 C165 H166 F184 | L158-I162 HydrophobicContact CD1-CD1 4.31Å; L158-I162 HydrophobicContact CD1-CG1 4.46Å; L158-I162 HydrophobicContact CG-CD1 4.09Å; L158-I162 VanDerWaalsContact O-CG1 3.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.4Å; L158-I162 PolarHBondContact O-N 2.99Å; S159-I162 PolarHBondContact O-N 2.94Å; I162-C165 PolarHBondContact O-N 2.91Å; I162-H166 WeakPolarHBondContact O-CB 3.09Å; I162-H166 PolarHBondContact O-N 3.07Å; I162-F184 HydrophobicContact CG2-CD1 4.39Å; I162-F184 HydrophobicContact CG2-CE1 4.01Å; I162-F184 HydrophobicContact CG2-CZ 4.15Å; I162-F184 WeakPolarHBondContact O-CZ 3.35Å |
| 163 | R | 93.6 | Very high | 94 | Very high | 143 Ų | 143 | 79.2 Ų | 79.2 | 54% | 0.54 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 176.3 | -170.5 | 175.3 | 68.8 | 127 | 1.2 | 112.4 | S159 M160 W161 H166 N167 | S159-R163 PolarHBondContact O-N 3.29Å; S159-R163 VanDerWaalsContact O-N 3.07Å; M160-R163 PolarHBondContact O-N 2.69Å; M160-R163 PolarHBondContact SD-NH2 3.45Å; W161-R163 VanDerWaalsContact C-N 3.29Å; W161-R163 PolarHBondContact O-N 3.27Å; R163-H166 PolarHBondContact O-N 3.38Å; R163-N167 VanDerWaalsContact O-CG 3.31Å; R163-N167 PolarHBondContact O-N 2.81Å; R163-N167 PolarHBondContact O-OD1 2.83Å |
| 164 | A | 93.1 | Very high | 94 | Very high | 56 Ų | 56 | 81.9 Ų | 81.9 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M160 W161 H166 N167 Y168 | M160-A164 PolarHBondContact O-N 2.91Å; W161-A164 PolarHBondContact O-N 2.89Å; W161-A164 VanDerWaalsContact O-N 3.15Å; A164-H166 PolarHBondContact O-N 2.77Å; A164-N167 PolarHBondContact O-N 3.47Å; A164-Y168 WeakPolarHBondContact O-CB 3.4Å; A164-Y168 PolarHBondContact O-N 2.6Å |
| 165 | C | 94.5 | Very high | 93.8 | Very high | 25 Ų | 25 | 82.4 Ų | 82.4 | 17% | 0.169 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.1 | -35.3 | 175.8 | -67.2 | 0 | 0 | 0 | 0 | 113 | W161 I162 Y168 F169 F184 | W161-C165 VanDerWaalsContact CE2-SG 3.54Å; W161-C165 PolarHBondContact O-N 2.98Å; W161-C165 PolarHBondContact O-SG 3.37Å; I162-C165 PolarHBondContact O-N 2.91Å; C165-Y168 PolarHBondContact O-N 3.42Å; C165-F169 WeakPolarHBondContact O-CB 3.36Å; C165-F169 WeakPolarHBondContact O-CD2 3.4Å; C165-F169 WeakPolarHBondContact O-CG 3.34Å; C165-F169 PolarHBondContact O-N 2.92Å; C165-F184 HydrophobicContact CB-CE1 4.18Å; C165-F184 HydrophobicContact CB-CZ 3.84Å |
| 166 | H | 94.6 | Very high | 93.8 | Very high | 34 Ų | 34 | 81.2 Ų | 81.2 | 16% | 0.157 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 175 | 177.3 | 70.5 | 0 | 0 | 0 | 111.4 | I162 R163 A164 F169 I170 S180 Y181 F184 | I162-H166 WeakPolarHBondContact O-CB 3.09Å; I162-H166 PolarHBondContact O-N 3.07Å; R163-H166 PolarHBondContact O-N 3.38Å; A164-H166 PolarHBondContact O-N 2.77Å; H166-F169 PolarHBondContact O-N 3.26Å; H166-I170 VanDerWaalsContact CE1-CD1 3.44Å; H166-I170 WeakPolarHBondContact CE1-CD1 3.37Å; H166-I170 WeakPolarHBondContact NE2-CD1 3.29Å; H166-I170 WeakPolarHBondContact O-CG1 3.38Å; H166-I170 PolarHBondContact O-N 3.25Å; H166-I170 VanDerWaalsContact O-N 3.14Å; H166-S180 PolarHBondContact CE1-OG 3.27Å; H166-S180 PolarHBondContact ND1-OG 3.39Å; H166-Y181 AromaticContact CE1-CE1 3.28Å; H166-Y181 WeakPolarHBondContact CE1-CE1 3.44Å; H166-Y181 AromaticContact CE1-CZ 3.7Å; H166-Y181 AromaticContact ND1-CE1 3.73Å; H166-F184 HydrophobicContact CB-CE2 3.76Å; H166-F184 HydrophobicContact CB-CZ 4.1Å |
| 167 | N | 94 | Very high | 93.8 | Very high | 79 Ų | 79 | 80.3 Ų | 80.3 | 42% | 0.422 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 176.1 | -67.2 | 8 | 0 | 0 | 0 | 111.1 | R163 A164 F169 I170 E171 | R163-N167 VanDerWaalsContact O-CG 3.31Å; R163-N167 PolarHBondContact O-N 2.81Å; R163-N167 PolarHBondContact O-OD1 2.83Å; A164-N167 PolarHBondContact O-N 3.47Å; N167-F169 VanDerWaalsContact C-N 3.31Å; N167-F169 PolarHBondContact O-N 3.07Å; N167-I170 PolarHBondContact O-N 3.08Å; N167-I170 VanDerWaalsContact O-N 3.08Å; N167-E171 WeakPolarHBondContact O-CB 3.45Å; N167-E171 WeakPolarHBondContact O-CG 3.43Å; N167-E171 PolarHBondContact O-N 3.3Å |
| 168 | Y | 94.8 | Very high | 93.8 | Very high | 118 Ų | 118 | 85 Ų | 85 | 46% | 0.463 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.2 | -40.9 | 175.7 | 176.2 | -101.6 | 0 | 0 | 0 | 112.8 | A164 C165 I170 D172 L173 | A164-Y168 WeakPolarHBondContact O-CB 3.4Å; A164-Y168 PolarHBondContact O-N 2.6Å; C165-Y168 PolarHBondContact O-N 3.42Å; Y168-I170 VanDerWaalsContact C-N 3.33Å; Y168-I170 PolarHBondContact O-N 2.89Å; Y168-D172 HydrophobicContact CD2-CB 3.6Å; Y168-D172 VanDerWaalsContact CD2-OD2 3.23Å; Y168-D172 WeakPolarHBondContact CD2-OD2 3.39Å; Y168-D172 HydrophobicContact CE2-CB 3.56Å; Y168-D172 HydrophobicContact CG-CB 4.39Å; Y168-D172 WeakPolarHBondContact O-CB 3.22Å; Y168-D172 PolarHBondContact O-N 3.15Å; Y168-D172 VanDerWaalsContact O-N 3.11Å; Y168-L173 HydrophobicContact CE1-CD1 4.05Å; Y168-L173 HydrophobicContact CE1-CD2 4.29Å; Y168-L173 HydrophobicContact CE1-CG 4.01Å; Y168-L173 PolarHBondContact O-N 3.26Å |
| 169 | F | 94.9 | Very high | 93.8 | Very high | 42 Ų | 42 | 81.5 Ų | 81.5 | 18% | 0.184 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.1 | -33.5 | 176 | -68.1 | -18.6 | 0 | 0 | 0 | 113 | C165 H166 N167 L173 L175 V183 F184 | C165-F169 WeakPolarHBondContact O-CB 3.36Å; C165-F169 WeakPolarHBondContact O-CD2 3.4Å; C165-F169 WeakPolarHBondContact O-CG 3.34Å; C165-F169 PolarHBondContact O-N 2.92Å; H166-F169 PolarHBondContact O-N 3.26Å; N167-F169 VanDerWaalsContact C-N 3.31Å; N167-F169 PolarHBondContact O-N 3.07Å; F169-L173 HydrophobicContact CD1-CD1 3.74Å; F169-L173 HydrophobicContact CE1-CD1 4.28Å; F169-L175 HydrophobicContact CB-CD1 4.18Å; F169-L175 VanDerWaalsContact O-CB 3.23Å; F169-L175 WeakPolarHBondContact O-CB 3.42Å; F169-L175 PolarHBondContact O-N 2.97Å; F169-V183 HydrophobicContact CE2-CB 4.25Å; F169-V183 HydrophobicContact CE2-CG1 3.71Å; F169-V183 HydrophobicContact CZ-CG1 4.04Å; F169-F184 HydrophobicContact CD2-CE2 4.12Å; F169-F184 HydrophobicContact CD2-CZ 4.19Å; F169-F184 HydrophobicContact CE2-CE1 4.39Å; F169-F184 HydrophobicContact CE2-CE2 4.25Å; F169-F184 AromaticContact CE2-CZ 3.99Å; F169-F184 HydrophobicContact CE2-CZ 3.99Å |
| 170 | I | 94.2 | Very high | 93.9 | Very high | 40 Ų | 40 | 77.8 Ų | 77.8 | 21% | 0.205 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -81.9 | -50.5 | -179.8 | -69.9 | 166.2 | 0 | 0 | 0 | 111.7 | H166 N167 Y168 G174 V177 | H166-I170 VanDerWaalsContact CE1-CD1 3.44Å; H166-I170 WeakPolarHBondContact CE1-CD1 3.37Å; H166-I170 WeakPolarHBondContact NE2-CD1 3.29Å; H166-I170 WeakPolarHBondContact O-CG1 3.38Å; H166-I170 PolarHBondContact O-N 3.25Å; H166-I170 VanDerWaalsContact O-N 3.14Å; N167-I170 PolarHBondContact O-N 3.08Å; N167-I170 VanDerWaalsContact O-N 3.08Å; Y168-I170 VanDerWaalsContact C-N 3.33Å; Y168-I170 PolarHBondContact O-N 2.89Å; I170-G174 WeakPolarHBondContact O-CA 3.45Å; I170-G174 PolarHBondContact O-N 3.35Å; I170-V177 HydrophobicContact CD1-CB 4.48Å; I170-V177 HydrophobicContact CD1-CG1 4.5Å; I170-V177 HydrophobicContact CD1-CG2 4.03Å |
| 171 | E | 93.7 | Very high | 94 | Very high | 153 Ų | 153 | 81.2 Ų | 81.2 | 72% | 0.715 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -83.4 | -51.1 | -171 | -55.1 | -64.3 | 161.7 | 0 | 0 | 112 | N167 | N167-E171 WeakPolarHBondContact O-CB 3.45Å; N167-E171 WeakPolarHBondContact O-CG 3.43Å; N167-E171 PolarHBondContact O-N 3.3Å |
| 172 | D | 91.5 | Very high | 94 | Very high | 116 Ų | 116 | 77.2 Ų | 77.2 | 62% | 0.62 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -34.5 | -174.6 | -61.8 | -88 | 0 | 0 | 0 | 113.4 | Y168 | Y168-D172 HydrophobicContact CD2-CB 3.6Å; Y168-D172 VanDerWaalsContact CD2-OD2 3.23Å; Y168-D172 WeakPolarHBondContact CD2-OD2 3.39Å; Y168-D172 HydrophobicContact CE2-CB 3.56Å; Y168-D172 HydrophobicContact CG-CB 4.39Å; Y168-D172 WeakPolarHBondContact O-CB 3.22Å; Y168-D172 PolarHBondContact O-N 3.15Å; Y168-D172 VanDerWaalsContact O-N 3.11Å |
| 173 | L | 92.2 | Very high | 94 | Very high | 90 Ų | 90 | 77 Ų | 77 | 47% | 0.471 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -96.8 | -6.8 | 176.8 | -56.6 | -173.3 | 0 | 0 | 0 | 113.9 | Y168 F169 L175 | Y168-L173 HydrophobicContact CE1-CD1 4.05Å; Y168-L173 HydrophobicContact CE1-CD2 4.29Å; Y168-L173 HydrophobicContact CE1-CG 4.01Å; Y168-L173 PolarHBondContact O-N 3.26Å; F169-L173 HydrophobicContact CD1-CD1 3.74Å; F169-L173 HydrophobicContact CE1-CD1 4.28Å; L173-L175 HydrophobicContact CB-CD1 4.36Å; L173-L175 HydrophobicContact CB-CG 4.15Å; L173-L175 HydrophobicContact CD1-CD1 4.36Å; L173-L175 PolarHBondContact O-N 3.05Å |
| 174 | G | 93.8 | Very high | 94.1 | Very high | 60 Ų | 60 | 72 Ų | 72 | 62% | 0.619 | 38% | 0.38 | S | S | * | . | trans | 63.6 | 18.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | I170 | I170-G174 WeakPolarHBondContact O-CA 3.45Å; I170-G174 PolarHBondContact O-N 3.35Å | ||
| 175 | L | 92.9 | Very high | 94.2 | Very high | 64 Ų | 64 | 72 Ų | 72 | 34% | 0.335 | 38% | 0.38 | S | S | . | . | trans | -72.5 | 136.6 | -178.5 | -65.4 | 171 | 0 | 0 | 0 | 110.1 | F169 L173 | F169-L175 HydrophobicContact CB-CD1 4.18Å; F169-L175 VanDerWaalsContact O-CB 3.23Å; F169-L175 WeakPolarHBondContact O-CB 3.42Å; F169-L175 PolarHBondContact O-N 2.97Å; L173-L175 HydrophobicContact CB-CD1 4.36Å; L173-L175 HydrophobicContact CB-CG 4.15Å; L173-L175 HydrophobicContact CD1-CD1 4.36Å; L173-L175 PolarHBondContact O-N 3.05Å | ||
| 176 | P | 94.4 | Very high | 94.3 | Very high | 64 Ų | 64 | 76.2 Ų | 76.2 | 42% | 0.416 | 40% | 0.4 | S | S | . | . | trans | -62.7 | 149.3 | 172.4 | 29.6 | -35.9 | 0 | 0 | 0 | 109.9 | W178 G179 S180 | P176-W178 HydrophobicContact CG-CD2 4.27Å; P176-W178 HydrophobicContact CG-CZ2 3.81Å; P176-W178 PolarHBondContact O-N 3.08Å; P176-G179 WeakPolarHBondContact O-CA 3.36Å; P176-G179 PolarHBondContact O-N 3.04Å; P176-S180 PolarHBondContact O-N 3.12Å | ||
| 177 | V | 93.9 | Very high | 94.3 | Very high | 73 Ų | 73 | 77 Ų | 77 | 44% | 0.442 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -47.1 | -43.8 | -174.2 | -176.9 | 0 | 0 | 0 | 0 | 112.9 | I170 G179 S180 Y181 | I170-V177 HydrophobicContact CD1-CB 4.48Å; I170-V177 HydrophobicContact CD1-CG1 4.5Å; I170-V177 HydrophobicContact CD1-CG2 4.03Å; V177-G179 VanDerWaalsContact C-N 3.31Å; V177-G179 PolarHBondContact O-N 3.49Å; V177-S180 PolarHBondContact O-N 2.89Å; V177-S180 PolarHBondContact O-OG 3.01Å; V177-Y181 HydrophobicContact CG1-CD2 4.22Å; V177-Y181 HydrophobicContact CG1-CE2 3.51Å; V177-Y181 PolarHBondContact O-N 2.87Å |
| 178 | W | 94.2 | Very high | 94.3 | Very high | 182 Ų | 182 | 77.7 Ų | 77.7 | 69% | 0.689 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.9 | -30.7 | 177.6 | 66.9 | -100.3 | 0 | 0 | 0 | 114.1 | P176 T182 | P176-W178 HydrophobicContact CG-CD2 4.27Å; P176-W178 HydrophobicContact CG-CZ2 3.81Å; P176-W178 PolarHBondContact O-N 3.08Å; W178-T182 PolarHBondContact O-N 3.45Å; W178-T182 PolarHBondContact O-OG1 3.41Å |
| 179 | G | 94.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 77.7 Ų | 77.7 | 10% | 0.103 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P176 V177 Y181 T182 V183 | P176-G179 WeakPolarHBondContact O-CA 3.36Å; P176-G179 PolarHBondContact O-N 3.04Å; V177-G179 VanDerWaalsContact C-N 3.31Å; V177-G179 PolarHBondContact O-N 3.49Å; G179-Y181 PolarHBondContact O-N 3.15Å; G179-T182 WeakPolarHBondContact O-CB 3.38Å; G179-T182 PolarHBondContact O-N 2.93Å; G179-T182 VanDerWaalsContact O-N 3.13Å; G179-V183 PolarHBondContact O-N 3.5Å |
| 180 | S | 94.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 175.3 | 80.1 | 0 | 0 | 0 | 0 | 112 | H166 P176 V177 T182 V183 F184 | H166-S180 PolarHBondContact CE1-OG 3.27Å; H166-S180 PolarHBondContact ND1-OG 3.39Å; P176-S180 PolarHBondContact O-N 3.12Å; V177-S180 PolarHBondContact O-N 2.89Å; V177-S180 PolarHBondContact O-OG 3.01Å; S180-T182 VanDerWaalsContact C-N 3.3Å; S180-T182 PolarHBondContact O-N 3.25Å; S180-V183 PolarHBondContact O-N 3.5Å; S180-F184 WeakPolarHBondContact O-CD2 3.35Å; S180-F184 PolarHBondContact O-N 2.88Å |
| 181 | Y | 95 | Very high | 94.5 | Very high | 136 Ų | 136 | 82.9 Ų | 82.9 | 53% | 0.533 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.9 | -33.6 | 176.1 | -62.4 | -33.3 | 0 | 0 | 0 | 112.7 | H166 V177 G179 F184 A185 | H166-Y181 AromaticContact CE1-CE1 3.28Å; H166-Y181 WeakPolarHBondContact CE1-CE1 3.44Å; H166-Y181 AromaticContact CE1-CZ 3.7Å; H166-Y181 AromaticContact ND1-CE1 3.73Å; V177-Y181 HydrophobicContact CG1-CD2 4.22Å; V177-Y181 HydrophobicContact CG1-CE2 3.51Å; V177-Y181 PolarHBondContact O-N 2.87Å; G179-Y181 PolarHBondContact O-N 3.15Å; Y181-F184 PolarHBondContact O-N 3.36Å; Y181-A185 WeakPolarHBondContact O-CB 3.13Å; Y181-A185 PolarHBondContact O-N 3.04Å |
| 182 | T | 95 | Very high | 94.6 | Very high | 68 Ų | 68 | 77.5 Ų | 77.5 | 42% | 0.417 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 175 | -56 | 0 | 0 | 0 | 0 | 110.9 | W178 G179 S180 A185 L186 | W178-T182 PolarHBondContact O-N 3.45Å; W178-T182 PolarHBondContact O-OG1 3.41Å; G179-T182 WeakPolarHBondContact O-CB 3.38Å; G179-T182 PolarHBondContact O-N 2.93Å; G179-T182 VanDerWaalsContact O-N 3.13Å; S180-T182 VanDerWaalsContact C-N 3.3Å; S180-T182 PolarHBondContact O-N 3.25Å; T182-A185 PolarHBondContact O-N 3.26Å; T182-L186 HydrophobicContact CG2-CD1 4.34Å; T182-L186 WeakPolarHBondContact O-CG 3.09Å; T182-L186 PolarHBondContact O-N 3.38Å |
| 183 | V | 94.6 | Very high | 94.9 | Very high | 64 Ų | 64 | 76.8 Ų | 76.8 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 173.9 | 174.8 | 0 | 0 | 0 | 0 | 111 | F169 G179 S180 A185 L186 A187 | F169-V183 HydrophobicContact CE2-CB 4.25Å; F169-V183 HydrophobicContact CE2-CG1 3.71Å; F169-V183 HydrophobicContact CZ-CG1 4.04Å; G179-V183 PolarHBondContact O-N 3.5Å; S180-V183 PolarHBondContact O-N 3.5Å; V183-A185 PolarHBondContact O-N 2.96Å; V183-L186 PolarHBondContact O-N 3.39Å; V183-A187 WeakPolarHBondContact O-CB 3.28Å; V183-A187 PolarHBondContact O-N 3.38Å |
| 184 | F | 95.1 | Very high | 95.1 | Very high | 38 Ų | 38 | 76.8 Ų | 76.8 | 17% | 0.167 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 176.5 | -72.2 | -62.5 | 0 | 0 | 0 | 113 | I162 C165 H166 F169 S180 Y181 L186 A187 T188 | I162-F184 HydrophobicContact CG2-CD1 4.39Å; I162-F184 HydrophobicContact CG2-CE1 4.01Å; I162-F184 HydrophobicContact CG2-CZ 4.15Å; I162-F184 WeakPolarHBondContact O-CZ 3.35Å; C165-F184 HydrophobicContact CB-CE1 4.18Å; C165-F184 HydrophobicContact CB-CZ 3.84Å; H166-F184 HydrophobicContact CB-CE2 3.76Å; H166-F184 HydrophobicContact CB-CZ 4.1Å; F169-F184 HydrophobicContact CD2-CE2 4.12Å; F169-F184 HydrophobicContact CD2-CZ 4.19Å; F169-F184 HydrophobicContact CE2-CE1 4.39Å; F169-F184 HydrophobicContact CE2-CE2 4.25Å; F169-F184 AromaticContact CE2-CZ 3.99Å; F169-F184 HydrophobicContact CE2-CZ 3.99Å; S180-F184 WeakPolarHBondContact O-CD2 3.35Å; S180-F184 PolarHBondContact O-N 2.88Å; Y181-F184 PolarHBondContact O-N 3.36Å; F184-L186 PolarHBondContact O-N 2.88Å; F184-A187 PolarHBondContact O-N 3.39Å; F184-T188 WeakPolarHBondContact O-CG2 3.36Å; F184-T188 PolarHBondContact O-N 3.03Å; F184-T188 PolarHBondContact O-OG1 3.02Å; F184-T188 VanDerWaalsContact O-OG1 3.12Å |
| 185 | A | 95.1 | Very high | 95.2 | Very high | 55 Ų | 55 | 79.8 Ų | 79.8 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y181 T182 V183 T188 L189 | Y181-A185 WeakPolarHBondContact O-CB 3.13Å; Y181-A185 PolarHBondContact O-N 3.04Å; T182-A185 PolarHBondContact O-N 3.26Å; V183-A185 PolarHBondContact O-N 2.96Å; A185-T188 PolarHBondContact O-OG1 2.82Å; A185-L189 VanDerWaalsContact O-CB 3.29Å; A185-L189 WeakPolarHBondContact O-CB 3.42Å; A185-L189 PolarHBondContact O-N 3.23Å; A185-L189 VanDerWaalsContact O-N 3.08Å |
| 186 | L | 96.4 | Very high | 95.3 | Very high | 114 Ų | 114 | 78.2 Ų | 78.2 | 60% | 0.597 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.9 | -38.8 | 173.4 | -68.4 | 171.8 | 0 | 0 | 0 | 111.7 | T182 V183 F184 F190 | T182-L186 HydrophobicContact CG2-CD1 4.34Å; T182-L186 WeakPolarHBondContact O-CG 3.09Å; T182-L186 PolarHBondContact O-N 3.38Å; V183-L186 PolarHBondContact O-N 3.39Å; F184-L186 PolarHBondContact O-N 2.88Å; L186-F190 WeakPolarHBondContact O-CB 3.37Å; L186-F190 PolarHBondContact O-N 3.4Å |
| 187 | A | 94.9 | Very high | 95.4 | Very high | 51 Ų | 51 | 80 Ų | 80 | 42% | 0.421 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V183 F184 S191 | V183-A187 WeakPolarHBondContact O-CB 3.28Å; V183-A187 PolarHBondContact O-N 3.38Å; F184-A187 PolarHBondContact O-N 3.39Å; A187-S191 WeakPolarHBondContact O-CB 3.31Å; A187-S191 PolarHBondContact O-N 3.28Å; A187-S191 PolarHBondContact O-OG 2.98Å |
| 188 | T | 94.3 | Very high | 95.4 | Very high | 93 Ų | 93 | 79.7 Ų | 79.7 | 57% | 0.571 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -71 | -37.6 | 175.8 | 54 | 0 | 0 | 0 | 0 | 112.2 | F184 A185 S191 G192 | F184-T188 WeakPolarHBondContact O-CG2 3.36Å; F184-T188 PolarHBondContact O-N 3.03Å; F184-T188 PolarHBondContact O-OG1 3.02Å; F184-T188 VanDerWaalsContact O-OG1 3.12Å; A185-T188 PolarHBondContact O-OG1 2.82Å; T188-S191 WeakPolarHBondContact CA-OG 3.48Å; T188-S191 PolarHBondContact O-OG 3.48Å; T188-G192 PolarHBondContact O-N 3.37Å |
| 189 | L | 97.2 | Very high | 95.4 | Very high | 118 Ų | 118 | 77.3 Ų | 77.3 | 62% | 0.618 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.7 | -48.9 | 173 | -171.3 | 159.8 | 0 | 0 | 0 | 111.3 | A185 G192 L193 | A185-L189 VanDerWaalsContact O-CB 3.29Å; A185-L189 WeakPolarHBondContact O-CB 3.42Å; A185-L189 PolarHBondContact O-N 3.23Å; A185-L189 VanDerWaalsContact O-N 3.08Å; L189-G192 PolarHBondContact O-N 2.98Å; L189-L193 WeakPolarHBondContact O-CB 3.38Å; L189-L193 PolarHBondContact O-N 3.43Å |
| 190 | F | 97.1 | Very high | 95.5 | Very high | 138 Ų | 138 | 81.7 Ų | 81.7 | 61% | 0.605 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.6 | -44.9 | -179.3 | -178.1 | -97.5 | 0 | 0 | 0 | 112.6 | L186 L193 L194 | L186-F190 WeakPolarHBondContact O-CB 3.37Å; L186-F190 PolarHBondContact O-N 3.4Å; F190-L193 PolarHBondContact O-N 3.01Å; F190-L194 WeakPolarHBondContact O-CB 3.46Å; F190-L194 PolarHBondContact O-N 2.93Å |
| 191 | S | 94.4 | Very high | 95.4 | Very high | 53 Ų | 53 | 88.4 Ų | 88.4 | 37% | 0.371 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 176.6 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | A187 T188 L194 L195 | A187-S191 WeakPolarHBondContact O-CB 3.31Å; A187-S191 PolarHBondContact O-N 3.28Å; A187-S191 PolarHBondContact O-OG 2.98Å; T188-S191 WeakPolarHBondContact CA-OG 3.48Å; T188-S191 PolarHBondContact O-OG 3.48Å; S191-L194 PolarHBondContact O-N 2.93Å; S191-L195 WeakPolarHBondContact O-CB 3.4Å; S191-L195 VanDerWaalsContact O-CG 3.23Å; S191-L195 WeakPolarHBondContact O-CG 3.3Å; S191-L195 PolarHBondContact O-N 3.46Å |
| 192 | G | 95.7 | Very high | 95.4 | Very high | 41 Ų | 41 | 85.5 Ų | 85.5 | 42% | 0.423 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | T188 L189 G196 | T188-G192 PolarHBondContact O-N 3.37Å; L189-G192 PolarHBondContact O-N 2.98Å; G192-G196 PolarHBondContact O-N 3.11Å |
| 193 | L | 97.2 | Very high | 95.2 | Very high | 100 Ų | 100 | 84.2 Ų | 84.2 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 174.6 | 177.6 | 61.9 | 0 | 0 | 0 | 111.7 | L189 F190 G196 L197 | L189-L193 WeakPolarHBondContact O-CB 3.38Å; L189-L193 PolarHBondContact O-N 3.43Å; F190-L193 PolarHBondContact O-N 3.01Å; L193-G196 PolarHBondContact O-N 3.35Å; L193-L197 HydrophobicContact CD1-CD1 4.27Å; L193-L197 HydrophobicContact CD1-CG 4.4Å; L193-L197 HydrophobicContact CG-CD1 4.22Å; L193-L197 WeakPolarHBondContact O-CG 3.23Å; L193-L197 PolarHBondContact O-N 3.08Å |
| 194 | L | 96.7 | Very high | 95 | Very high | 91 Ų | 91 | 86.1 Ų | 86.1 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 178.2 | -178.9 | 61.9 | 0 | 0 | 0 | 111.6 | F190 S191 G196 L197 C198 | F190-L194 WeakPolarHBondContact O-CB 3.46Å; F190-L194 PolarHBondContact O-N 2.93Å; S191-L194 PolarHBondContact O-N 2.93Å; L194-G196 VanDerWaalsContact C-N 3.33Å; L194-G196 PolarHBondContact O-N 3.35Å; L194-L197 PolarHBondContact O-N 3.33Å; L194-C198 WeakPolarHBondContact O-CB 3.49Å; L194-C198 PolarHBondContact O-N 3.17Å; L194-C198 PolarHBondContact O-SG 3.03Å; L194-C198 VanDerWaalsContact O-SG 3.33Å |
| 195 | L | 94.9 | Very high | 94.7 | Very high | 122 Ų | 122 | 88.1 Ų | 88.1 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.8 | -40.1 | 176.5 | -72.4 | 169.5 | 0 | 0 | 0 | 111.8 | S191 C198 M199 | S191-L195 WeakPolarHBondContact O-CB 3.4Å; S191-L195 VanDerWaalsContact O-CG 3.23Å; S191-L195 WeakPolarHBondContact O-CG 3.3Å; S191-L195 PolarHBondContact O-N 3.46Å; L195-C198 PolarHBondContact O-N 2.95Å; L195-M199 WeakPolarHBondContact O-CB 3.38Å; L195-M199 PolarHBondContact O-N 3.42Å |
| 196 | G | 96.3 | Very high | 94.5 | Very high | 32 Ų | 32 | 92 Ų | 92 | 33% | 0.33 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G192 L193 L194 M199 I200 | G192-G196 PolarHBondContact O-N 3.11Å; L193-G196 PolarHBondContact O-N 3.35Å; L194-G196 VanDerWaalsContact C-N 3.33Å; L194-G196 PolarHBondContact O-N 3.35Å; G196-M199 PolarHBondContact O-N 3.46Å; G196-I200 WeakPolarHBondContact O-CG1 3.23Å; G196-I200 PolarHBondContact O-N 2.77Å |
| 197 | L | 96.1 | Very high | 93.9 | Very high | 102 Ų | 102 | 91.2 Ų | 91.2 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 175.9 | -70.1 | 170.5 | 0 | 0 | 0 | 112 | L193 L194 M199 I200 F201 | L193-L197 HydrophobicContact CD1-CD1 4.27Å; L193-L197 HydrophobicContact CD1-CG 4.4Å; L193-L197 HydrophobicContact CG-CD1 4.22Å; L193-L197 WeakPolarHBondContact O-CG 3.23Å; L193-L197 PolarHBondContact O-N 3.08Å; L194-L197 PolarHBondContact O-N 3.33Å; L197-M199 VanDerWaalsContact C-N 3.34Å; L197-M199 PolarHBondContact O-N 3.14Å; L197-I200 PolarHBondContact O-N 3.38Å; L197-F201 WeakPolarHBondContact O-CB 3.39Å; L197-F201 PolarHBondContact O-N 3.27Å |
| 198 | C | 94.5 | Very high | 92.9 | Very high | 66 Ų | 66 | 93.5 Ų | 93.5 | 45% | 0.446 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | 173.6 | -71.6 | 0 | 0 | 0 | 0 | 112.3 | L194 L195 F201 V202 | L194-C198 WeakPolarHBondContact O-CB 3.49Å; L194-C198 PolarHBondContact O-N 3.17Å; L194-C198 PolarHBondContact O-SG 3.03Å; L194-C198 VanDerWaalsContact O-SG 3.33Å; L195-C198 PolarHBondContact O-N 2.95Å; C198-F201 PolarHBondContact O-N 2.76Å; C198-V202 WeakPolarHBondContact O-CG2 3.34Å; C198-V202 PolarHBondContact O-N 3.13Å |
| 199 | M | 94.1 | Very high | 91.4 | Very high | 131 Ų | 131 | 94.1 Ų | 94.1 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.4 | -43.6 | 178.4 | -154.5 | -72.7 | 169.9 | 0 | 0 | 111.3 | L195 G196 L197 F201 V202 A203 | L195-M199 WeakPolarHBondContact O-CB 3.38Å; L195-M199 PolarHBondContact O-N 3.42Å; G196-M199 PolarHBondContact O-N 3.46Å; L197-M199 VanDerWaalsContact C-N 3.34Å; L197-M199 PolarHBondContact O-N 3.14Å; M199-F201 PolarHBondContact O-N 2.72Å; M199-V202 PolarHBondContact O-N 3.28Å; M199-A203 WeakPolarHBondContact O-CB 3.49Å; M199-A203 PolarHBondContact O-N 3.09Å |
| 200 | I | 95.3 | Very high | 89.7 | Confident | 102 Ų | 102 | 98.3 Ų | 98.3 | 52% | 0.523 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.8 | -48 | 173.4 | -66.8 | 164.2 | 0 | 0 | 0 | 110.6 | G196 L197 V202 A203 D204 | G196-I200 WeakPolarHBondContact O-CG1 3.23Å; G196-I200 PolarHBondContact O-N 2.77Å; L197-I200 PolarHBondContact O-N 3.38Å; I200-V202 VanDerWaalsContact C-N 3.34Å; I200-V202 PolarHBondContact O-N 3.37Å; I200-A203 WeakPolarHBondContact O-CB 3.2Å; I200-A203 PolarHBondContact O-N 3.38Å; I200-A203 VanDerWaalsContact O-N 3.11Å; I200-D204 PolarHBondContact O-N 2.94Å |
| 201 | F | 94 | Very high | 88 | Confident | 142 Ų | 142 | 102.7 Ų | 102.7 | 62% | 0.623 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.8 | -42.4 | 178.4 | -179.9 | -96.8 | 0 | 0 | 0 | 112.5 | L197 C198 M199 D204 C205 | L197-F201 WeakPolarHBondContact O-CB 3.39Å; L197-F201 PolarHBondContact O-N 3.27Å; C198-F201 PolarHBondContact O-N 2.76Å; M199-F201 PolarHBondContact O-N 2.72Å; F201-D204 PolarHBondContact O-N 3.21Å; F201-C205 PolarHBondContact O-N 2.91Å; F201-C205 PolarHBondContact O-SG 3.3Å |
| 202 | V | 93.8 | Very high | 86.1 | Confident | 75 Ų | 75 | 111.5 Ų | 111.5 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.6 | -38.6 | 174.7 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | C198 M199 I200 C205 L206 | C198-V202 WeakPolarHBondContact O-CG2 3.34Å; C198-V202 PolarHBondContact O-N 3.13Å; M199-V202 PolarHBondContact O-N 3.28Å; I200-V202 VanDerWaalsContact C-N 3.34Å; I200-V202 PolarHBondContact O-N 3.37Å; V202-C205 PolarHBondContact O-N 3.19Å; V202-L206 HydrophobicContact CG1-CD1 3.74Å; V202-L206 HydrophobicContact CG1-CG 4.29Å; V202-L206 WeakPolarHBondContact O-CB 3.45Å; V202-L206 VanDerWaalsContact O-CG 3.32Å; V202-L206 WeakPolarHBondContact O-CG 3.44Å; V202-L206 PolarHBondContact O-N 2.99Å |
| 203 | A | 92.4 | Very high | 83.8 | Confident | 40 Ų | 40 | 120.6 Ų | 120.6 | 33% | 0.331 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.7 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M199 I200 C205 L206 C207 | M199-A203 WeakPolarHBondContact O-CB 3.49Å; M199-A203 PolarHBondContact O-N 3.09Å; I200-A203 WeakPolarHBondContact O-CB 3.2Å; I200-A203 PolarHBondContact O-N 3.38Å; I200-A203 VanDerWaalsContact O-N 3.11Å; A203-C205 VanDerWaalsContact C-N 3.3Å; A203-C205 PolarHBondContact O-N 3.22Å; A203-L206 PolarHBondContact O-N 3.02Å; A203-C207 WeakPolarHBondContact O-CB 3.43Å; A203-C207 PolarHBondContact O-N 3.26Å |
| 204 | D | 90.4 | Very high | 81.6 | Confident | 104 Ų | 104 | 121.8 Ų | 121.8 | 56% | 0.556 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64 | -33.8 | 174.1 | -80.4 | -33.2 | 0 | 0 | 0 | 112.4 | I200 F201 | I200-D204 PolarHBondContact O-N 2.94Å; F201-D204 PolarHBondContact O-N 3.21Å |
| 205 | C | 87.3 | Confident | 79.1 | Confident | 80 Ų | 80 | 125.2 Ų | 125.2 | 54% | 0.541 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70.5 | -39.6 | 174.4 | -68.5 | 0 | 0 | 0 | 0 | 113.1 | F201 V202 A203 | F201-C205 PolarHBondContact O-N 2.91Å; F201-C205 PolarHBondContact O-SG 3.3Å; V202-C205 PolarHBondContact O-N 3.19Å; A203-C205 VanDerWaalsContact C-N 3.3Å; A203-C205 PolarHBondContact O-N 3.22Å |
| 206 | L | 90.9 | Very high | 77.1 | Confident | 137 Ų | 137 | 124.6 Ų | 124.6 | 72% | 0.717 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -80.8 | -33.7 | -178.7 | -70.2 | 173 | 0 | 0 | 0 | 113 | V202 A203 P208 | V202-L206 HydrophobicContact CG1-CD1 3.74Å; V202-L206 HydrophobicContact CG1-CG 4.29Å; V202-L206 WeakPolarHBondContact O-CB 3.45Å; V202-L206 VanDerWaalsContact O-CG 3.32Å; V202-L206 WeakPolarHBondContact O-CG 3.44Å; V202-L206 PolarHBondContact O-N 2.99Å; A203-L206 PolarHBondContact O-N 3.02Å; L206-P208 VanDerWaalsContact O-CD 3.23Å; L206-P208 WeakPolarHBondContact O-CD 3.48Å |
| 207 | C | 83.7 | Confident | 74.7 | Confident | 98 Ų | 98 | 133.3 Ų | 133.3 | 66% | 0.662 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -118.1 | 63.7 | -177.8 | -71 | 0 | 0 | 0 | 0 | 111 | A203 S209 | A203-C207 WeakPolarHBondContact O-CB 3.43Å; A203-C207 PolarHBondContact O-N 3.26Å; C207-S209 PolarHBondContact O-N 2.82Å |
| 208 | P | 73.8 | Confident | 72.4 | Confident | 98 Ų | 98 | 134.5 Ų | 134.5 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | trans | -58.1 | 110.5 | -176.8 | 24.1 | -34.5 | 0 | 0 | 0 | 110.8 | L206 K210 | L206-P208 VanDerWaalsContact O-CD 3.23Å; L206-P208 WeakPolarHBondContact O-CD 3.48Å; P208-K210 PolarHBondContact O-N 3.2Å | ||
| 209 | S | 63.1 | Low | 69.5 | Low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | trans | -56.6 | 111.7 | -171.3 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | C207 R211 | C207-S209 PolarHBondContact O-N 2.82Å; S209-R211 PolarHBondContact O-N 3.05Å | ||
| 210 | K | 61.6 | Low | 68.1 | Low | 206 Ų | 206 | 139.9 Ų | 139.9 | 90% | 0.896 | 70% | 0.7 | S | S | * | * | trans | -69.2 | 79.5 | 170.6 | -81.9 | -174.5 | 176.5 | 173.2 | 0 | 109.5 | P208 R212 | P208-K210 PolarHBondContact O-N 3.2Å; K210-R212 PolarHBondContact O-N 3.05Å; K210-R212 VanDerWaalsContact O-N 3.12Å | ||
| 211 | R | 61.8 | Low | 65.1 | Low | 231 Ų | 231 | 139.9 Ų | 139.9 | 87% | 0.872 | 71% | 0.709 | S | S | * | * | trans | -41.5 | 114.5 | 178.2 | -162.5 | 179.2 | -164.4 | -168.7 | 5.6 | 110.1 | S209 R213 | S209-R211 PolarHBondContact O-N 3.05Å; R211-R213 PolarHBondContact O-N 3.35Å | ||
| 212 | R | 54.3 | Low | 62.5 | Low | 238 Ų | 238 | 141.7 Ų | 141.7 | 90% | 0.898 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 123.9 | -179.8 | -69.4 | -174.2 | 179.9 | -168.6 | 1.2 | 109.1 | K210 | K210-R212 PolarHBondContact O-N 3.05Å; K210-R212 VanDerWaalsContact O-N 3.12Å |
| 213 | R | 47.5 | Very low | 59.8 | Low | 232 Ų | 232 | 147.2 Ų | 147.2 | 88% | 0.875 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -64 | 132.6 | 169.5 | -70.3 | -176.6 | 177.7 | -178.9 | -1 | 108.5 | R211 Q215 | R211-R213 PolarHBondContact O-N 3.35Å; R213-Q215 PolarHBondContact O-N 3.14Å |
| 214 | P | 52.2 | Low | 56.9 | Low | 124 Ų | 124 | 152.9 Ų | 152.9 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 133.9 | 162.7 | -18.6 | 31.8 | 0 | 0 | 0 | 109.2 | ||
| 215 | Q | 44.1 | Very low | 54.2 | Low | 164 Ų | 164 | 155.4 Ų | 155.4 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 135.5 | 172.2 | -81.4 | -71.8 | 15 | 0 | 0 | 110.2 | R213 | R213-Q215 PolarHBondContact O-N 3.14Š|
| 216 | P | 52.2 | Low | 51.3 | Low | 108 Ų | 108 | 156.7 Ų | 156.7 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 140.2 | 173.9 | -12.9 | 28.9 | 0 | 0 | 0 | 111.8 | ||
| 217 | Y | 45.6 | Very low | 48.4 | Very low | 216 Ų | 216 | 158.6 Ų | 158.6 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 135 | 179.3 | 23 | -105.6 | 0 | 0 | 0 | 112.2 | ||
| 218 | P | 48 | Very low | 45.9 | Very low | 126 Ų | 126 | 159 Ų | 159 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -110.7 | 153 | 159.6 | 5.7 | 16.1 | 0 | 0 | 0 | 112.6 | ||||
| 219 | Y | 34 | Very low | 43.8 | Very low | 222 Ų | 222 | 158.8 Ų | 158.8 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | trans | -135.6 | -174.7 | -178.1 | -159.1 | -129.2 | 0 | 0 | 0 | 108.5 | ||||
| 220 | P | 64.2 | Low | 42.1 | Very low | 88 Ų | 88 | 161.7 Ų | 161.7 | 57% | 0.571 | 80% | 0.799 | S | S | * | * | -117.4 | -174 | -84.3 | 44.1 | -32.8 | 0 | 0 | 0 | 113.8 | |||||
| 221 | S | 32.6 | Very low | 40.9 | Very low | 102 Ų | 102 | 157.9 Ų | 157.9 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -151.2 | 111.3 | 153.8 | -149.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 222 | K | 39.1 | Very low | 39.5 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | 62.3 | 139.6 | 92.5 | -64.9 | 172.7 | -175.4 | 173.7 | 0 | 114.4 | |||||
| 223 | K | 36.6 | Very low | 38.2 | Very low | 191 Ų | 191 | 150 Ų | 150 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | cis | -177.1 | 138.6 | -13.8 | -119.4 | -164.6 | 177.9 | -161.7 | 0 | 107.1 | ||||
| 224 | L | 32.6 | Very low | 37.3 | Very low | 158 Ų | 158 | 148 Ų | 148 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -172.3 | 133.3 | 136 | -149.1 | 68 | 0 | 0 | 0 | 113.1 | ||||
| 225 | L | 33.3 | Very low | 36.2 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | 48.3 | 143.9 | 171.2 | -96 | 69.5 | 0 | 0 | 0 | 118.9 | ||||
| 226 | S | 26.8 | Very low | 35.4 | Very low | 107 Ų | 107 | 146.3 Ų | 146.3 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | cis | -135.7 | 150.1 | 1.8 | -169.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 227 | E | 29.9 | Very low | 34.2 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -65.3 | 161.7 | 156 | -117.9 | 130.2 | 75.5 | 0 | 0 | 109.3 | ||||
| 228 | S | 29.7 | Very low | 33.4 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -158 | 162.7 | 24.9 | -167.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 229 | A | 30.1 | Very low | 32.4 | Very low | 94 Ų | 94 | 150 Ų | 150 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | 60.5 | 111.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 230 | Q | 28.3 | Very low | 32.3 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | -59.8 | 157 | 157.9 | -95.3 | 176.7 | -15.1 | 0 | 0 | 113.8 | ||||
| 231 | P | 36.4 | Very low | 30.7 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | -148.3 | -178.8 | 76.4 | 38.4 | -19.1 | 0 | 0 | 0 | 117.2 | |||||
| 232 | L | 30.9 | Very low | 30.5 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 60% | 0.602 | 77% | 0.774 | S | S | * | * | cis | -171.4 | 113.2 | -44.8 | -177.2 | 136.4 | 0 | 0 | 0 | 110.6 | ||||
| 233 | K | 28.6 | Very low | 30.4 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | 63.6 | 122.9 | 177 | -61 | 174.3 | -176 | 174.6 | 0 | 115 | ||||
| 234 | K | 28.5 | Very low | 30.3 | Very low | 191 Ų | 191 | 147.5 Ų | 147.5 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | 101.3 | 134.3 | 51.5 | -169.4 | -145.6 | 171.9 | -168.8 | 0 | 110.2 | |||||
| 235 | V | 28.9 | Very low | 30 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 58% | 0.582 | 77% | 0.769 | S | S | * | * | trans | 110.8 | 154.6 | 170.6 | -172.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 236 | E | 26.9 | Very low | 29.8 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | trans | 60.5 | 134.4 | -161.2 | -72.2 | 76.4 | -133.9 | 0 | 0 | 114.7 | ||||
| 237 | E | 27.5 | Very low | 29.9 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | 74.1 | 135.6 | 64.8 | -109.1 | 162.4 | -164 | 0 | 0 | 111.6 | |||||
| 238 | E | 28.1 | Very low | 30.1 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | cis | -141.3 | -178.9 | 15.1 | -59.1 | 158.6 | 118 | 0 | 0 | 111.4 | ||||
| 239 | Q | 27.7 | Very low | 30 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -154.1 | 97.6 | 140.3 | -172.7 | 147.7 | 40.1 | 0 | 0 | 112 | ||||
| 240 | E | 31.3 | Very low | 30.1 | Very low | 160 Ų | 160 | 154.4 Ų | 154.4 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 25.2 | 121.6 | 149.1 | -63.2 | 161.1 | 134.3 | 0 | 0 | 119.2 | ||||
| 241 | A | 31.9 | Very low | 30 | Very low | 90 Ų | 90 | 153.1 Ų | 153.1 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | 81 | 145.8 | 59.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 242 | D | 28.4 | Very low | 29.7 | Very low | 143 Ų | 143 | 154.6 Ų | 154.6 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | cis | -136.7 | 161 | 21.9 | -93.4 | -33.9 | 0 | 0 | 0 | 113.5 | ||||
| 243 | E | 36.9 | Very low | 29.5 | Very low | 162 Ų | 162 | 159.1 Ų | 159.1 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | trans | 33.6 | 160.9 | 130.6 | -45 | -64.2 | 76.8 | 0 | 0 | 121.3 | ||||
| 244 | E | 33 | Very low | 29.5 | Very low | 176 Ų | 176 | 157.6 Ų | 157.6 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | cis | -161.3 | 165.9 | 6.1 | -127.5 | -175.1 | 171.1 | 0 | 0 | 104.6 | ||||
| 245 | D | 26.3 | Very low | 29.4 | Very low | 145 Ų | 145 | 156.1 Ų | 156.1 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | cis | -155.8 | -170 | -7.8 | -170.7 | 16.2 | 0 | 0 | 0 | 108.4 | ||||
| 246 | V | 29.7 | Very low | 29.3 | Very low | 121 Ų | 121 | 155.3 Ų | 155.3 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | -90.8 | 144.1 | -178.2 | 168.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 247 | S | 28.4 | Very low | 29.2 | Very low | 116 Ų | 116 | 153.7 Ų | 153.7 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -170.8 | 142.8 | 135.1 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 248 | E | 34.1 | Very low | 29.2 | Very low | 188 Ų | 188 | 152.9 Ų | 152.9 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -96.6 | 145.9 | 164.7 | -56.2 | 177.2 | 146.3 | 0 | 0 | 109.4 | ||||
| 249 | E | 27.9 | Very low | 29.3 | Very low | 192 Ų | 192 | 152.5 Ų | 152.5 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -172.7 | 149.6 | 136.1 | -111.8 | 178.2 | -163.3 | 0 | 0 | 112.4 | ||||
| 250 | E | 32.8 | Very low | 29.3 | Very low | 182 Ų | 182 | 151.9 Ų | 151.9 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -88.4 | 150.4 | 164.8 | -60.3 | -175.3 | 115.3 | 0 | 0 | 110 | ||||
| 251 | T | 26.9 | Very low | 29.2 | Very low | 140 Ų | 140 | 153.7 Ų | 153.7 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -160.5 | 165.3 | 146.9 | 1.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 252 | E | 28.6 | Very low | 29.6 | Very low | 157 Ų | 157 | 154.2 Ų | 154.2 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -70.7 | 133.6 | -168.9 | -80 | -160.9 | 96.1 | 0 | 0 | 117.5 | ||||
| 253 | R | 27.1 | Very low | 29.5 | Very low | 210 Ų | 210 | 154.9 Ų | 154.9 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | 65.2 | 148.4 | 112.7 | -146.1 | -176.9 | -166.2 | -157.6 | 5.6 | 121.2 | |||||
| 254 | K | 27.9 | Very low | 29 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | 94.5 | 107.7 | 158.8 | -87.1 | 176.2 | 163.7 | -89.1 | 0 | 120.7 | ||||
| 255 | E | 27.3 | Very low | 28.9 | Very low | 161 Ų | 161 | 150 Ų | 150 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | 73.3 | 113.3 | 111.8 | -162.5 | 167.2 | -157.9 | 0 | 0 | 119.3 | |||||
| 256 | G | 26.5 | Very low | 29.2 | Very low | 79 Ų | 79 | 150.6 Ų | 150.6 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | -179.4 | 46.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 257 | T | 25.7 | Very low | 29.3 | Very low | 122 Ų | 122 | 156.1 Ų | 156.1 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -17.6 | 130.6 | 164.5 | -58.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 258 | N | 27.4 | Very low | 29.4 | Very low | 158 Ų | 158 | 159.9 Ų | 159.9 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -139.9 | 160.1 | 130.7 | -151.1 | -1.9 | 0 | 0 | 0 | 111.5 | ||||
| 259 | K | 28.5 | Very low | 29.2 | Very low | 169 Ų | 169 | 162.6 Ų | 162.6 | 74% | 0.735 | 80% | 0.804 | S | S | * | * | trans | -98.1 | 155.8 | -171.1 | -59.8 | 168.1 | -177.9 | 169.7 | 0 | 111.4 | ||||
| 260 | D | 28.9 | Very low | 29.4 | Very low | 163 Ų | 163 | 158.9 Ų | 158.9 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | -158.2 | 155.9 | 115.8 | -100.2 | -27.7 | 0 | 0 | 0 | 112.8 | |||||
| 261 | F | 28.4 | Very low | 29.5 | Very low | 198 Ų | 198 | 158.7 Ų | 158.7 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -129.9 | 165.1 | 173.3 | -98.1 | -95.5 | 0 | 0 | 0 | 106.4 | ||||
| 262 | P | 39.9 | Very low | 29.8 | Very low | 101 Ų | 101 | 155.4 Ų | 155.4 | 66% | 0.656 | 80% | 0.797 | S | S | * | * | cis | -122.3 | -158.4 | 11.9 | 35.8 | -13.2 | 0 | 0 | 0 | 111 | ||||
| 263 | Q | 27.6 | Very low | 30.2 | Very low | 157 Ų | 157 | 154.3 Ų | 154.3 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | cis | -168.7 | 146.9 | 32.7 | -150 | 169.7 | 23.7 | 0 | 0 | 113.6 | ||||
| 264 | N | 26.9 | Very low | 30.5 | Very low | 146 Ų | 146 | 150.2 Ų | 150.2 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | trans | 39.4 | 121.1 | 156.9 | -62.4 | -11.1 | 0 | 0 | 0 | 121.7 | ||||
| 265 | A | 29.5 | Very low | 30.8 | Very low | 89 Ų | 89 | 150.9 Ų | 150.9 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | 175.7 | 126.5 | 103.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 266 | I | 33.6 | Very low | 31.2 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | 64.1 | 92.8 | 135.9 | -54.6 | 174.8 | 0 | 0 | 0 | 120 | ||||
| 267 | R | 31.4 | Very low | 31.7 | Very low | 237 Ų | 237 | 150.8 Ų | 150.8 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | 65 | 97.1 | 118.7 | -160.8 | -177.3 | -134.6 | 160.6 | 4.8 | 120.5 | |||||
| 268 | Q | 31 | Very low | 32.6 | Very low | 194 Ų | 194 | 150.8 Ų | 150.8 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | -70.6 | 165.2 | 150.7 | -73.4 | 179.7 | -39 | 0 | 0 | 112.4 | ||||
| 269 | R | 28.4 | Very low | 33.5 | Very low | 246 Ų | 246 | 150.9 Ų | 150.9 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | trans | -121.2 | 130.6 | 171 | -170.9 | -180 | -167.4 | 169.7 | 4.3 | 109.3 | ||||
| 270 | S | 33.5 | Very low | 34.3 | Very low | 114 Ų | 114 | 152.3 Ų | 152.3 | 80% | 0.797 | 84% | 0.841 | S | S | * | * | trans | -84.5 | 154.1 | -179.5 | 46.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 271 | L | 34.3 | Very low | 34.5 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 93% | 0.932 | 84% | 0.839 | S | S | * | * | trans | -85 | 146 | 161.1 | -72.2 | 162.8 | 0 | 0 | 0 | 109.3 | ||||
| 272 | G | 33.5 | Very low | 34.9 | Very low | 71 Ų | 71 | 149.3 Ų | 149.3 | 73% | 0.732 | 84% | 0.838 | S | S | * | * | trans | -106.5 | 152.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 273 | P | 37 | Very low | 34.6 | Very low | 134 Ų | 134 | 152 Ų | 152 | 87% | 0.87 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 145.8 | 175.8 | 33.9 | -34 | 0 | 0 | 0 | 112.2 | ||
| 274 | S | 33.5 | Very low | 35 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 87% | 0.867 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 127.5 | 171 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 275 | L | 34.6 | Very low | 35.5 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 89% | 0.885 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 143.6 | 175.5 | -116.3 | 152.6 | 0 | 0 | 0 | 110.8 | ||
| 276 | A | 35.2 | Very low | 35.9 | Very low | 91 Ų | 91 | 156.3 Ų | 156.3 | 75% | 0.752 | 87% | 0.868 | S | S | * | * | trans | -115.1 | 149.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 277 | T | 37.8 | Very low | 36.1 | Very low | 147 Ų | 147 | 156.1 Ų | 156.1 | 90% | 0.902 | 87% | 0.872 | S | S | * | * | trans | -136.5 | 156 | 177.9 | 17.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 278 | D | 43.9 | Very low | 36.4 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 66% | 0.658 | 87% | 0.87 | S | S | * | * | trans | -115.9 | 156 | -156.2 | -169 | 30.6 | 0 | 0 | 0 | 113.5 | ||||
| 279 | K | 45.5 | Very low | 36.9 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 70% | 0.696 | 87% | 0.867 | S | S | * | * | trans | 29.1 | 128 | 163.6 | -75.4 | 165.6 | -157.7 | 71.1 | 0 | 120.6 | ||||
| 280 | S | 45.3 | Very low | 37.7 | Very low | 198 Ų | 198 | 137.2 Ų | 137.2 | 100% | 1.385 | 86% | 0.861 | S | S | * | * | -147.4 | 0 | 99.5 | -71.4 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 280 of 280 residues in 111.5 ms
(Link to these results)