| 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 | 50.5 | Low | 79.2 | Confident | 238 Ų | 238 | 118.5 Ų | 118.5 | 100% | 1.172 | 60% | 0.601 | S | S | * | * | 0 | 120.7 | 0 | -67.4 | 171.3 | 78.7 | 0 | 0 | 106 | |||||
| 2 | A | 63.6 | Low | 79.6 | Confident | 66 Ų | 66 | 114.3 Ų | 114.3 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | trans | -62.1 | 140 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | E6 V7 | A2-E6 WeakPolarHBondContact CA-OE2 3.22Å; A2-E6 WeakPolarHBondContact CB-OE2 3.39Å; A2-V7 HydrophobicContact CB-CG2 4.24Å | ||
| 3 | T | 78.7 | Confident | 80 | Confident | 76 Ų | 76 | 114.8 Ų | 114.8 | 47% | 0.466 | 59% | 0.586 | S | S | . | * | trans | -72.3 | 152.1 | -179.9 | 58.8 | 0 | 0 | 0 | 0 | 110.2 | D5 E6 V7 | T3-D5 PolarHBondContact O-N 3.49Å; T3-D5 VanDerWaalsContact O-N 3.1Å; T3-E6 PolarHBondContact N-OE2 3.47Å; T3-E6 WeakPolarHBondContact O-CB 3.44Å; T3-E6 PolarHBondContact O-N 3.39Å; T3-E6 VanDerWaalsContact OG1-CG 3.27Å; T3-E6 WeakPolarHBondContact OG1-CG 3.37Å; T3-E6 PolarHBondContact OG1-N 3.06Å; T3-V7 PolarHBondContact O-N 2.86Å | ||
| 4 | W | 81.7 | Confident | 80 | Confident | 207 Ų | 207 | 113.6 Ų | 113.6 | 78% | 0.784 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -57.2 | -26.4 | 177.5 | -92.7 | 103.7 | 0 | 0 | 0 | 113.1 | R8 | W4-R8 WeakPolarHBondContact O-CB 3.37Å; W4-R8 PolarHBondContact O-N 2.64Å; W4-R8 VanDerWaalsContact O-N 3.13Å |
| 5 | D | 85 | Confident | 80 | Confident | 102 Ų | 102 | 114.9 Ų | 114.9 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -75.9 | -41.1 | 175.5 | -69.1 | -28.1 | 0 | 0 | 0 | 111.9 | T3 V7 R8 E9 | T3-D5 PolarHBondContact O-N 3.49Å; T3-D5 VanDerWaalsContact O-N 3.1Å; D5-V7 VanDerWaalsContact C-N 3.3Å; D5-V7 PolarHBondContact O-N 3.42Å; D5-R8 PolarHBondContact O-N 2.92Å; D5-R8 VanDerWaalsContact O-N 3.15Å; D5-R8 IonicContact OD1-CZ 3.13Å; D5-R8 VanDerWaalsContact OD1-CZ 3.22Å; D5-R8 IonicContact OD1-NH1 3.05Å; D5-R8 PolarHBondContact OD1-NH1 3.28Å; D5-R8 IonicContact OD1-NH2 3.17Å; D5-R8 PolarHBondContact OD1-NH2 3.17Å; D5-E9 WeakPolarHBondContact O-CB 3.39Å; D5-E9 PolarHBondContact O-N 3.41Å |
| 6 | E | 88.6 | Confident | 80.1 | Confident | 96 Ų | 96 | 115.8 Ų | 115.8 | 45% | 0.449 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58.5 | -42 | 171.7 | -77 | 167.3 | -179.4 | 0 | 0 | 111.7 | A2 T3 R8 E9 L10 | A2-E6 WeakPolarHBondContact CA-OE2 3.22Å; A2-E6 WeakPolarHBondContact CB-OE2 3.39Å; T3-E6 PolarHBondContact N-OE2 3.47Å; T3-E6 WeakPolarHBondContact O-CB 3.44Å; T3-E6 PolarHBondContact O-N 3.39Å; T3-E6 VanDerWaalsContact OG1-CG 3.27Å; T3-E6 WeakPolarHBondContact OG1-CG 3.37Å; T3-E6 PolarHBondContact OG1-N 3.06Å; E6-R8 VanDerWaalsContact C-N 3.34Å; E6-R8 PolarHBondContact O-N 2.88Å; E6-E9 PolarHBondContact O-N 3.48Å; E6-L10 WeakPolarHBondContact O-CB 3.36Å; E6-L10 WeakPolarHBondContact O-CG 3.41Å; E6-L10 PolarHBondContact O-N 3.23Å |
| 7 | V | 83.4 | Confident | 79.8 | Confident | 68 Ų | 68 | 114.8 Ų | 114.8 | 41% | 0.412 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.4 | -40.6 | 177.1 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | A2 T3 D5 L10 A11 | A2-V7 HydrophobicContact CB-CG2 4.24Å; T3-V7 PolarHBondContact O-N 2.86Å; D5-V7 VanDerWaalsContact C-N 3.3Å; D5-V7 PolarHBondContact O-N 3.42Å; V7-L10 PolarHBondContact O-N 3.38Å; V7-A11 VanDerWaalsContact O-CB 3.31Å; V7-A11 WeakPolarHBondContact O-CB 3.45Å; V7-A11 PolarHBondContact O-N 2.99Å |
| 8 | R | 84.6 | Confident | 79.3 | Confident | 151 Ų | 151 | 116.2 Ų | 116.2 | 57% | 0.57 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.3 | -39.4 | 178.5 | -137.5 | -178.9 | -61.3 | 127.7 | 12.8 | 111.5 | W4 D5 E6 A11 S12 | W4-R8 WeakPolarHBondContact O-CB 3.37Å; W4-R8 PolarHBondContact O-N 2.64Å; W4-R8 VanDerWaalsContact O-N 3.13Å; D5-R8 PolarHBondContact O-N 2.92Å; D5-R8 VanDerWaalsContact O-N 3.15Å; D5-R8 IonicContact OD1-CZ 3.13Å; D5-R8 VanDerWaalsContact OD1-CZ 3.22Å; D5-R8 IonicContact OD1-NH1 3.05Å; D5-R8 PolarHBondContact OD1-NH1 3.28Å; D5-R8 IonicContact OD1-NH2 3.17Å; D5-R8 PolarHBondContact OD1-NH2 3.17Å; E6-R8 VanDerWaalsContact C-N 3.34Å; E6-R8 PolarHBondContact O-N 2.88Å; R8-A11 PolarHBondContact O-N 2.96Å; R8-S12 WeakPolarHBondContact O-CB 3.27Å; R8-S12 PolarHBondContact O-N 3.4Å |
| 9 | E | 87.4 | Confident | 78.9 | Confident | 125 Ų | 125 | 116.6 Ų | 116.6 | 58% | 0.584 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.9 | -47.7 | 175.7 | -163.4 | -170.9 | 165.3 | 0 | 0 | 110.6 | D5 E6 A11 S12 K13 | D5-E9 WeakPolarHBondContact O-CB 3.39Å; D5-E9 PolarHBondContact O-N 3.41Å; E6-E9 PolarHBondContact O-N 3.48Å; E9-A11 VanDerWaalsContact C-N 3.32Å; E9-A11 PolarHBondContact O-N 3.06Å; E9-S12 PolarHBondContact O-N 2.84Å; E9-K13 WeakPolarHBondContact O-CB 3.41Å; E9-K13 PolarHBondContact O-N 3.49Å |
| 10 | L | 84.8 | Confident | 78.6 | Confident | 117 Ų | 117 | 117.1 Ų | 117.1 | 61% | 0.613 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -57.3 | -44.3 | 173.9 | -83.2 | 161.8 | 0 | 0 | 0 | 111.8 | E6 V7 K13 L14 | E6-L10 WeakPolarHBondContact O-CB 3.36Å; E6-L10 WeakPolarHBondContact O-CG 3.41Å; E6-L10 PolarHBondContact O-N 3.23Å; V7-L10 PolarHBondContact O-N 3.38Å; L10-K13 PolarHBondContact O-N 2.87Å; L10-L14 WeakPolarHBondContact O-CB 3.46Å; L10-L14 PolarHBondContact O-N 3.18Å |
| 11 | A | 83.6 | Confident | 78 | Confident | 57 Ų | 57 | 117 Ų | 117 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.9 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V7 R8 E9 L14 K15 | V7-A11 VanDerWaalsContact O-CB 3.31Å; V7-A11 WeakPolarHBondContact O-CB 3.45Å; V7-A11 PolarHBondContact O-N 2.99Å; R8-A11 PolarHBondContact O-N 2.96Å; E9-A11 VanDerWaalsContact C-N 3.32Å; E9-A11 PolarHBondContact O-N 3.06Å; A11-L14 PolarHBondContact O-N 3.4Å; A11-K15 WeakPolarHBondContact O-CB 3.18Å; A11-K15 PolarHBondContact O-N 3.39Å |
| 12 | S | 84 | Confident | 78.3 | Confident | 68 Ų | 68 | 112 Ų | 112 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.8 | -44.4 | 176.8 | -162 | 0 | 0 | 0 | 0 | 111.5 | R8 E9 L14 K15 E16 | R8-S12 WeakPolarHBondContact O-CB 3.27Å; R8-S12 PolarHBondContact O-N 3.4Å; E9-S12 PolarHBondContact O-N 2.84Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.5Å; S12-K15 WeakPolarHBondContact O-CB 3.45Å; S12-K15 PolarHBondContact O-N 2.89Å; S12-E16 PolarHBondContact O-N 3.4Å |
| 13 | K | 84.2 | Confident | 78 | Confident | 122 Ų | 122 | 116 Ų | 116 | 53% | 0.53 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.8 | -40.8 | 177.3 | -141.5 | 167 | -166.4 | 163.7 | 0 | 111.4 | E9 L10 E16 T17 | E9-K13 WeakPolarHBondContact O-CB 3.41Å; E9-K13 PolarHBondContact O-N 3.49Å; L10-K13 PolarHBondContact O-N 2.87Å; K13-E16 PolarHBondContact O-N 3.5Å; K13-T17 WeakPolarHBondContact O-CB 3.33Å; K13-T17 PolarHBondContact O-N 2.85Å; K13-T17 PolarHBondContact O-OG1 3.13Å |
| 14 | L | 80.3 | Confident | 77.4 | Confident | 97 Ų | 97 | 117.8 Ų | 117.8 | 51% | 0.508 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.7 | -43.6 | 174.6 | -170.8 | 153.6 | 0 | 0 | 0 | 110.7 | L10 A11 S12 T17 Q18 | L10-L14 WeakPolarHBondContact O-CB 3.46Å; L10-L14 PolarHBondContact O-N 3.18Å; A11-L14 PolarHBondContact O-N 3.4Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.5Å; L14-T17 PolarHBondContact O-N 3.37Å; L14-Q18 HydrophobicContact CD2-CG 3.97Å; L14-Q18 WeakPolarHBondContact O-CB 3.46Å; L14-Q18 WeakPolarHBondContact O-CG 3.43Å; L14-Q18 PolarHBondContact O-N 2.84Å |
| 15 | K | 80.4 | Confident | 76.6 | Confident | 134 Ų | 134 | 116.3 Ų | 116.3 | 58% | 0.583 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63 | -44 | 176.2 | -171.5 | 176.6 | -176.2 | 177.6 | 0 | 112.5 | A11 S12 T17 Q18 N19 | A11-K15 WeakPolarHBondContact O-CB 3.18Å; A11-K15 PolarHBondContact O-N 3.39Å; S12-K15 WeakPolarHBondContact O-CB 3.45Å; S12-K15 PolarHBondContact O-N 2.89Å; K15-T17 VanDerWaalsContact C-N 3.31Å; K15-T17 PolarHBondContact O-N 3.06Å; K15-Q18 PolarHBondContact O-N 3.15Å; K15-N19 WeakPolarHBondContact O-CB 3.39Å; K15-N19 VanDerWaalsContact O-CG 3.32Å; K15-N19 PolarHBondContact O-N 3.41Å; K15-N19 PolarHBondContact O-ND2 2.89Å |
| 16 | E | 80.4 | Confident | 76 | Confident | 128 Ų | 128 | 114.7 Ų | 114.7 | 60% | 0.598 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.6 | -44.3 | 172.9 | -79.6 | -176.7 | 157.4 | 0 | 0 | 111.5 | S12 K13 Q18 N19 Q20 | S12-E16 PolarHBondContact O-N 3.4Å; K13-E16 PolarHBondContact O-N 3.5Å; E16-Q18 PolarHBondContact O-N 3.22Å; E16-N19 PolarHBondContact O-N 2.89Å; E16-Q20 WeakPolarHBondContact O-CG 3.32Å; E16-Q20 PolarHBondContact O-N 2.94Å; E16-Q20 VanDerWaalsContact O-N 3.17Å |
| 17 | T | 75 | Confident | 75.5 | Confident | 100 Ų | 100 | 113 Ų | 113 | 61% | 0.613 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.9 | -38.9 | -179.7 | -48.5 | 0 | 0 | 0 | 0 | 111.6 | K13 L14 K15 Q20 | K13-T17 WeakPolarHBondContact O-CB 3.33Å; K13-T17 PolarHBondContact O-N 2.85Å; K13-T17 PolarHBondContact O-OG1 3.13Å; L14-T17 PolarHBondContact O-N 3.37Å; K15-T17 VanDerWaalsContact C-N 3.31Å; K15-T17 PolarHBondContact O-N 3.06Å; T17-Q20 PolarHBondContact O-N 3.1Å |
| 18 | Q | 71.9 | Confident | 75.2 | Confident | 140 Ų | 140 | 115.9 Ų | 115.9 | 65% | 0.654 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.5 | -31.6 | 175.6 | -76.5 | -178.4 | -26 | 0 | 0 | 113.2 | L14 K15 E16 Q20 | L14-Q18 HydrophobicContact CD2-CG 3.97Å; L14-Q18 WeakPolarHBondContact O-CB 3.46Å; L14-Q18 WeakPolarHBondContact O-CG 3.43Å; L14-Q18 PolarHBondContact O-N 2.84Å; K15-Q18 PolarHBondContact O-N 3.15Å; E16-Q18 PolarHBondContact O-N 3.22Å; Q18-Q20 VanDerWaalsContact C-N 3.3Å |
| 19 | N | 72.3 | Confident | 75 | Confident | 124 Ų | 124 | 118.6 Ų | 118.6 | 66% | 0.663 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -78.4 | -13.7 | 176.9 | -77.8 | -22.3 | 0 | 0 | 0 | 113.1 | K15 E16 | K15-N19 WeakPolarHBondContact O-CB 3.39Å; K15-N19 VanDerWaalsContact O-CG 3.32Å; K15-N19 PolarHBondContact O-N 3.41Å; K15-N19 PolarHBondContact O-ND2 2.89Å; E16-N19 PolarHBondContact O-N 2.89Å |
| 20 | Q | 72.1 | Confident | 74.8 | Confident | 125 Ų | 125 | 115.4 Ų | 115.4 | 58% | 0.584 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -67.2 | 137.8 | 171.5 | -66 | -139.9 | -14.3 | 0 | 0 | 110.1 | E16 T17 Q18 N22 | E16-Q20 WeakPolarHBondContact O-CG 3.32Å; E16-Q20 PolarHBondContact O-N 2.94Å; E16-Q20 VanDerWaalsContact O-N 3.17Å; T17-Q20 PolarHBondContact O-N 3.1Å; Q18-Q20 VanDerWaalsContact C-N 3.3Å; Q20-N22 PolarHBondContact O-N 2.84Å |
| 21 | P | 65.3 | Low | 74.7 | Confident | 115 Ų | 115 | 115.9 Ų | 115.9 | 75% | 0.747 | 60% | 0.597 | S | S | * | * | trans | -62.9 | 102 | -180 | 25.9 | -33.2 | 0 | 0 | 0 | 110 | I23 | P21-I23 PolarHBondContact O-N 2.97Š| ||
| 22 | N | 56.7 | Low | 74.6 | Confident | 135 Ų | 135 | 115 Ų | 115 | 72% | 0.722 | 59% | 0.585 | S | S | * | * | trans | -8.5 | 89.7 | 174.8 | -67 | -46.5 | 0 | 0 | 0 | 116.5 | Q20 | Q20-N22 PolarHBondContact O-N 2.84Š| ||
| 23 | I | 58.8 | Low | 74.6 | Confident | 149 Ų | 149 | 115.9 Ų | 115.9 | 76% | 0.764 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -83.1 | -29.6 | 174.4 | -64.5 | 175.8 | 0 | 0 | 0 | 112.1 | P21 | P21-I23 PolarHBondContact O-N 2.97Š|
| 24 | C | 64.4 | Low | 74.6 | Confident | 113 Ų | 113 | 113 Ų | 113 | 76% | 0.764 | 57% | 0.574 | S | S | * | * | trans | -150.8 | 81.7 | -179.9 | -89.1 | 0 | 0 | 0 | 0 | 110.3 | L26 | C24-L26 PolarHBondContact O-N 2.91Š| ||
| 25 | K | 64.8 | Low | 74.8 | Confident | 176 Ų | 176 | 110 Ų | 110 | 77% | 0.765 | 56% | 0.559 | S | S | * | * | trans | -75.5 | 107.6 | 163.6 | -159.7 | 177 | -177.4 | -175.8 | 0 | 106.7 | S27 | K25-S27 PolarHBondContact O-N 3.32Š| ||
| 26 | L | 72.3 | Confident | 74.8 | Confident | 68 Ų | 68 | 110.1 Ų | 110.1 | 36% | 0.356 | 56% | 0.556 | S | S | . | * | trans | -58.3 | 137.7 | 172.1 | -75.9 | 108.2 | 0 | 0 | 0 | 108.6 | C24 T30 W31 I34 | C24-L26 PolarHBondContact O-N 2.91Å; L26-T30 HydrophobicContact CD2-CG2 3.71Å; L26-W31 HydrophobicContact CB-CD2 4.45Å; L26-W31 HydrophobicContact CB-CG 4.37Å; L26-W31 HydrophobicContact CB-CZ2 4.49Å; L26-W31 HydrophobicContact CD1-CH2 4.42Å; L26-W31 HydrophobicContact CD1-CZ2 3.82Å; L26-I34 HydrophobicContact CD2-CD1 3.66Å | ||
| 27 | S | 79.6 | Confident | 74.9 | Confident | 62 Ų | 62 | 109.7 Ų | 109.7 | 43% | 0.434 | 55% | 0.553 | S | S | . | * | trans | -64.1 | 149.9 | 175.7 | 78.6 | 0 | 0 | 0 | 0 | 110 | K25 R29 T30 W31 | K25-S27 PolarHBondContact O-N 3.32Å; S27-R29 PolarHBondContact O-N 3.25Å; S27-R29 VanDerWaalsContact O-N 3.12Å; S27-T30 WeakPolarHBondContact O-CA 3.48Å; S27-T30 WeakPolarHBondContact O-CB 3.31Å; S27-T30 PolarHBondContact O-N 3.45Å; S27-T30 PolarHBondContact OG-N 2.78Å; S27-T30 PolarHBondContact OG-OG1 2.96Å; S27-W31 PolarHBondContact O-N 3.48Å | ||
| 28 | D | 76.2 | Confident | 75.4 | Confident | 127 Ų | 127 | 107.8 Ų | 107.8 | 68% | 0.679 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -55.7 | -33.1 | 178.3 | -59.8 | -20.3 | 0 | 0 | 0 | 111.5 | W31 V32 | D28-W31 PolarHBondContact O-N 2.91Å; D28-V32 WeakPolarHBondContact O-CB 3.28Å; D28-V32 VanDerWaalsContact O-CG2 3.23Å; D28-V32 WeakPolarHBondContact O-CG2 3.24Å; D28-V32 PolarHBondContact O-N 3.18Å |
| 29 | R | 81 | Confident | 75.8 | Confident | 208 Ų | 208 | 103 Ų | 103 | 79% | 0.785 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 173.6 | -67 | -177.2 | 178.2 | 172.9 | -0.5 | 112.3 | S27 W31 V32 D33 | S27-R29 PolarHBondContact O-N 3.25Å; S27-R29 VanDerWaalsContact O-N 3.12Å; R29-W31 VanDerWaalsContact C-N 3.34Å; R29-V32 WeakPolarHBondContact O-CB 3.47Å; R29-V32 PolarHBondContact O-N 3.27Å; R29-D33 PolarHBondContact O-N 3.41Å |
| 30 | T | 83.1 | Confident | 76.4 | Confident | 59 Ų | 59 | 101.3 Ų | 101.3 | 36% | 0.362 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 178.3 | -39.1 | 0 | 0 | 0 | 0 | 111 | L26 S27 D33 I34 | L26-T30 HydrophobicContact CD2-CG2 3.71Å; S27-T30 WeakPolarHBondContact O-CA 3.48Å; S27-T30 WeakPolarHBondContact O-CB 3.31Å; S27-T30 PolarHBondContact O-N 3.45Å; S27-T30 PolarHBondContact OG-N 2.78Å; S27-T30 PolarHBondContact OG-OG1 2.96Å; T30-D33 PolarHBondContact O-N 3.26Å; T30-I34 HydrophobicContact CG2-CD1 4.27Å; T30-I34 VanDerWaalsContact O-CG1 3.24Å; T30-I34 WeakPolarHBondContact O-CG1 3.36Å; T30-I34 PolarHBondContact O-N 3.31Å |
| 31 | W | 83.2 | Confident | 77.2 | Confident | 127 Ų | 127 | 98.1 Ų | 98.1 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 172.8 | -84.9 | 123.6 | 0 | 0 | 0 | 112.3 | L26 S27 D28 R29 D33 I34 I35 | L26-W31 HydrophobicContact CB-CD2 4.45Å; L26-W31 HydrophobicContact CB-CG 4.37Å; L26-W31 HydrophobicContact CB-CZ2 4.49Å; L26-W31 HydrophobicContact CD1-CH2 4.42Å; L26-W31 HydrophobicContact CD1-CZ2 3.82Å; S27-W31 PolarHBondContact O-N 3.48Å; D28-W31 PolarHBondContact O-N 2.91Å; R29-W31 VanDerWaalsContact C-N 3.34Å; W31-D33 VanDerWaalsContact C-N 3.31Å; W31-D33 PolarHBondContact O-N 3.41Å; W31-I34 HydrophobicContact CE3-CD1 4.28Å; W31-I34 HydrophobicContact CZ3-CD1 4.48Å; W31-I34 PolarHBondContact O-N 3.4Å; W31-I35 WeakPolarHBondContact O-CB 3.25Å; W31-I35 VanDerWaalsContact O-CG1 3.25Å; W31-I35 WeakPolarHBondContact O-CG1 3.42Å; W31-I35 PolarHBondContact O-N 3.24Å |
| 32 | V | 80.9 | Confident | 77.9 | Confident | 37 Ų | 37 | 98.2 Ų | 98.2 | 22% | 0.224 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 174.5 | 165.1 | 0 | 0 | 0 | 0 | 111.1 | D28 R29 I35 R36 Y55 | D28-V32 WeakPolarHBondContact O-CB 3.28Å; D28-V32 VanDerWaalsContact O-CG2 3.23Å; D28-V32 WeakPolarHBondContact O-CG2 3.24Å; D28-V32 PolarHBondContact O-N 3.18Å; R29-V32 WeakPolarHBondContact O-CB 3.47Å; R29-V32 PolarHBondContact O-N 3.27Å; V32-I35 PolarHBondContact O-N 2.91Å; V32-R36 WeakPolarHBondContact O-CB 3.41Å; V32-R36 VanDerWaalsContact O-CG 3.28Å; V32-R36 WeakPolarHBondContact O-CG 3.5Å; V32-R36 PolarHBondContact O-N 3.43Å; V32-Y55 WeakPolarHBondContact CG1-OH 3.32Å; V32-Y55 HydrophobicContact CG2-CE2 4.27Å |
| 33 | D | 84.1 | Confident | 79.1 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 178.4 | -70.3 | -22.1 | 0 | 0 | 0 | 112.7 | R29 T30 W31 R36 H37 | R29-D33 PolarHBondContact O-N 3.41Å; T30-D33 PolarHBondContact O-N 3.26Å; W31-D33 VanDerWaalsContact C-N 3.31Å; W31-D33 PolarHBondContact O-N 3.41Å; D33-R36 PolarHBondContact O-N 2.86Å; D33-R36 IonicContact OD1-NH1 3.94Å; D33-R36 PolarHBondContact OD1-NH1 2.87Å; D33-H37 WeakPolarHBondContact O-CB 3.23Å; D33-H37 PolarHBondContact O-N 3.2Å |
| 34 | I | 84.5 | Confident | 80 | Confident | 61 Ų | 61 | 96.8 Ų | 96.8 | 31% | 0.313 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 172.9 | -69.2 | 164.4 | 0 | 0 | 0 | 110.2 | L26 T30 W31 H37 L38 | L26-I34 HydrophobicContact CD2-CD1 3.66Å; T30-I34 HydrophobicContact CG2-CD1 4.27Å; T30-I34 VanDerWaalsContact O-CG1 3.24Å; T30-I34 WeakPolarHBondContact O-CG1 3.36Å; T30-I34 PolarHBondContact O-N 3.31Å; W31-I34 HydrophobicContact CE3-CD1 4.28Å; W31-I34 HydrophobicContact CZ3-CD1 4.48Å; W31-I34 PolarHBondContact O-N 3.4Å; I34-H37 PolarHBondContact O-N 3.43Å; I34-L38 HydrophobicContact CG2-CD1 3.91Å; I34-L38 HydrophobicContact CG2-CG 4.37Å; I34-L38 WeakPolarHBondContact O-CG 3.41Å; I34-L38 PolarHBondContact O-N 2.91Å |
| 35 | I | 83.2 | Confident | 80.5 | Confident | 36 Ų | 36 | 97.1 Ų | 97.1 | 19% | 0.185 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62 | -46.2 | 178.1 | -71 | 167.5 | 0 | 0 | 0 | 110.2 | W31 V32 H37 L38 M39 L46 Y55 | W31-I35 WeakPolarHBondContact O-CB 3.25Å; W31-I35 VanDerWaalsContact O-CG1 3.25Å; W31-I35 WeakPolarHBondContact O-CG1 3.42Å; W31-I35 PolarHBondContact O-N 3.24Å; V32-I35 PolarHBondContact O-N 2.91Å; I35-H37 VanDerWaalsContact C-N 3.32Å; I35-H37 PolarHBondContact O-N 2.94Å; I35-L38 PolarHBondContact O-N 3.31Å; I35-M39 HydrophobicContact CG2-CE 3.91Å; I35-M39 HydrophobicContact CG2-SD 4.42Å; I35-M39 WeakPolarHBondContact O-CG 3.38Å; I35-M39 PolarHBondContact O-N 3.12Å; I35-L46 HydrophobicContact CG2-CD1 3.56Å; I35-Y55 HydrophobicContact CD1-CD2 4.14Å; I35-Y55 HydrophobicContact CD1-CE2 4.16Å; I35-Y55 HydrophobicContact CG2-CD1 3.92Å; I35-Y55 HydrophobicContact CG2-CE1 3.71Å; I35-Y55 HydrophobicContact CG2-CE2 4.41Å; I35-Y55 HydrophobicContact CG2-CG 4.34Å |
| 36 | R | 80.8 | Confident | 81.2 | Confident | 135 Ų | 135 | 90.3 Ų | 90.3 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.3 | -41.8 | 174.1 | -76.1 | 175.8 | -174.6 | 149.3 | -2.1 | 112.5 | V32 D33 M39 S40 | V32-R36 WeakPolarHBondContact O-CB 3.41Å; V32-R36 VanDerWaalsContact O-CG 3.28Å; V32-R36 WeakPolarHBondContact O-CG 3.5Å; V32-R36 PolarHBondContact O-N 3.43Å; D33-R36 PolarHBondContact O-N 2.86Å; D33-R36 IonicContact OD1-NH1 3.94Å; D33-R36 PolarHBondContact OD1-NH1 2.87Å; R36-M39 HydrophobicContact CB-CE 4.5Å; R36-M39 HydrophobicContact CG-CE 4.15Å; R36-M39 PolarHBondContact O-N 3.3Å; R36-S40 PolarHBondContact O-N 2.89Å |
| 37 | H | 83.5 | Confident | 81.5 | Confident | 119 Ų | 119 | 88.1 Ų | 88.1 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.1 | -43 | 176.2 | -173.2 | 71.7 | 0 | 0 | 0 | 111.8 | D33 I34 I35 M39 S40 V41 | D33-H37 WeakPolarHBondContact O-CB 3.23Å; D33-H37 PolarHBondContact O-N 3.2Å; I34-H37 PolarHBondContact O-N 3.43Å; I35-H37 VanDerWaalsContact C-N 3.32Å; I35-H37 PolarHBondContact O-N 2.94Å; H37-M39 VanDerWaalsContact C-N 3.3Å; H37-M39 PolarHBondContact O-N 3.39Å; H37-S40 PolarHBondContact O-N 3.35Å; H37-S40 PolarHBondContact O-OG 2.87Å; H37-V41 VanDerWaalsContact O-CG2 3.32Å; H37-V41 WeakPolarHBondContact O-CG2 3.43Å; H37-V41 PolarHBondContact O-N 3.22Å |
| 38 | L | 84.9 | Confident | 81.4 | Confident | 61 Ų | 61 | 89.7 Ų | 89.7 | 32% | 0.319 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.6 | -33.6 | 176.3 | -70.1 | 171.7 | 0 | 0 | 0 | 112.4 | I34 I35 N42 R43 L44 | I34-L38 HydrophobicContact CG2-CD1 3.91Å; I34-L38 HydrophobicContact CG2-CG 4.37Å; I34-L38 WeakPolarHBondContact O-CG 3.41Å; I34-L38 PolarHBondContact O-N 2.91Å; I35-L38 PolarHBondContact O-N 3.31Å; L38-N42 PolarHBondContact O-N 2.85Å; L38-R43 HydrophobicContact CD2-CB 4.25Å; L38-R43 PolarHBondContact O-N 2.89Å; L38-L44 HydrophobicContact CB-CB 4.27Å; L38-L44 HydrophobicContact CB-CD1 3.7Å; L38-L44 HydrophobicContact CB-CG 4.19Å; L38-L44 HydrophobicContact CD1-CD1 3.6Å; L38-L44 HydrophobicContact CG-CD1 4.28Å; L38-L44 PolarHBondContact O-N 3Å |
| 39 | M | 81.1 | Confident | 81.5 | Confident | 38 Ų | 38 | 84 Ų | 84 | 19% | 0.187 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 170.6 | -72.1 | -172.3 | -62.3 | 0 | 0 | 111.9 | I35 R36 H37 V41 N42 L44 L46 F48 Y55 | I35-M39 HydrophobicContact CG2-CE 3.91Å; I35-M39 HydrophobicContact CG2-SD 4.42Å; I35-M39 WeakPolarHBondContact O-CG 3.38Å; I35-M39 PolarHBondContact O-N 3.12Å; R36-M39 HydrophobicContact CB-CE 4.5Å; R36-M39 HydrophobicContact CG-CE 4.15Å; R36-M39 PolarHBondContact O-N 3.3Å; H37-M39 VanDerWaalsContact C-N 3.3Å; H37-M39 PolarHBondContact O-N 3.39Å; M39-V41 PolarHBondContact O-N 2.85Å; M39-N42 WeakPolarHBondContact O-CA 3.5Å; M39-N42 PolarHBondContact O-N 3.15Å; M39-L44 HydrophobicContact CG-CB 4.38Å; M39-L46 HydrophobicContact SD-CB 3.93Å; M39-L46 HydrophobicContact SD-CD1 4.39Å; M39-F48 HydrophobicContact CE-CE2 3.99Å; M39-F48 HydrophobicContact CE-CZ 3.58Å; M39-F48 HydrophobicContact SD-CE2 4.2Å; M39-F48 HydrophobicContact SD-CZ 4.34Å; M39-Y55 HydrophobicContact CE-CE1 3.99Å |
| 40 | S | 83.1 | Confident | 81.3 | Confident | 90 Ų | 90 | 78.4 Ų | 78.4 | 63% | 0.629 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.7 | -32.9 | 178.9 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | R36 H37 N42 | R36-S40 PolarHBondContact O-N 2.89Å; H37-S40 PolarHBondContact O-N 3.35Å; H37-S40 PolarHBondContact O-OG 2.87Å; S40-N42 PolarHBondContact O-N 3.23Å |
| 41 | V | 89.9 | Confident | 81 | Confident | 57 Ų | 57 | 78.6 Ų | 78.6 | 35% | 0.345 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 4.7 | 172.1 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | H37 M39 R43 | H37-V41 VanDerWaalsContact O-CG2 3.32Å; H37-V41 WeakPolarHBondContact O-CG2 3.43Å; H37-V41 PolarHBondContact O-N 3.22Å; M39-V41 PolarHBondContact O-N 2.85Å; V41-R43 HydrophobicContact CB-CG 4.12Å; V41-R43 HydrophobicContact CG1-CG 3.9Å; V41-R43 PolarHBondContact O-N 3.35Å; V41-R43 VanDerWaalsContact O-N 3.15Å; V41-R43 PolarHBondContact O-NH1 3.01Å |
| 42 | N | 79 | Confident | 80.4 | Confident | 117 Ų | 117 | 75.1 Ų | 75.1 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 27.4 | 178.5 | -146 | 41.7 | 0 | 0 | 0 | 113 | L38 M39 S40 | L38-N42 PolarHBondContact O-N 2.85Å; M39-N42 WeakPolarHBondContact O-CA 3.5Å; M39-N42 PolarHBondContact O-N 3.15Å; S40-N42 PolarHBondContact O-N 3.23Å |
| 43 | R | 82.1 | Confident | 80.1 | Confident | 184 Ų | 184 | 83.5 Ų | 83.5 | 69% | 0.694 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -86.1 | -28.2 | 177.2 | -64.9 | -68.4 | -172.6 | -93.3 | 3.8 | 111.8 | L38 V41 | L38-R43 HydrophobicContact CD2-CB 4.25Å; L38-R43 PolarHBondContact O-N 2.89Å; V41-R43 HydrophobicContact CB-CG 4.12Å; V41-R43 HydrophobicContact CG1-CG 3.9Å; V41-R43 PolarHBondContact O-N 3.35Å; V41-R43 VanDerWaalsContact O-N 3.15Å; V41-R43 PolarHBondContact O-NH1 3.01Å |
| 44 | L | 78.1 | Confident | 79.8 | Confident | 70 Ų | 70 | 82 Ų | 82 | 37% | 0.366 | 41% | 0.412 | S | S | . | . | trans | -124.7 | 140.6 | 174.6 | -79.3 | 169.3 | 0 | 0 | 0 | 109.8 | L38 M39 | L38-L44 HydrophobicContact CB-CB 4.27Å; L38-L44 HydrophobicContact CB-CD1 3.7Å; L38-L44 HydrophobicContact CB-CG 4.19Å; L38-L44 HydrophobicContact CD1-CD1 3.6Å; L38-L44 HydrophobicContact CG-CD1 4.28Å; L38-L44 PolarHBondContact O-N 3Å; M39-L44 HydrophobicContact CG-CB 4.38Å | ||
| 45 | K | 76 | Confident | 79.6 | Confident | 121 Ų | 121 | 82.1 Ų | 82.1 | 53% | 0.526 | 41% | 0.409 | S | S | . | . | trans | -119.7 | 104.2 | 170.7 | -68.1 | -174.9 | -178.7 | -179.6 | 0 | 107.8 | ||||
| 46 | L | 79.9 | Confident | 79.6 | Confident | 32 Ų | 32 | 81.1 Ų | 81.1 | 17% | 0.168 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 152.5 | -179.7 | -63.6 | 165.6 | 0 | 0 | 0 | 109.2 | I35 M39 Y55 L56 T57 | I35-L46 HydrophobicContact CG2-CD1 3.56Å; M39-L46 HydrophobicContact SD-CB 3.93Å; M39-L46 HydrophobicContact SD-CD1 4.39Å; L46-Y55 HydrophobicContact CB-CD1 4.23Å; L46-Y55 HydrophobicContact CD1-CD1 4.07Å; L46-Y55 HydrophobicContact CD1-CG 4.28Å; L46-L56 WeakPolarHBondContact CA-O 3.49Å; L46-T57 HydrophobicContact CD2-CG2 3.67Å |
| 47 | I | 77.1 | Confident | 79.8 | Confident | 22 Ų | 22 | 77.8 Ų | 77.8 | 11% | 0.113 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 139.2 | 175 | -62.6 | 166.1 | 0 | 0 | 0 | 106.8 | L56 L61 V87 I91 | I47-L56 HydrophobicContact CB-CB 4.46Å; I47-L56 PolarHBondContact N-O 3.32Å; I47-L56 PolarHBondContact O-N 2.97Å; I47-L61 HydrophobicContact CD1-CD2 3.33Å; I47-V87 HydrophobicContact CG2-CG1 3.89Å; I47-I91 HydrophobicContact CD1-CG2 3.85Å; I47-I91 HydrophobicContact CG1-CG2 4.26Å; I47-I91 HydrophobicContact CG2-CD1 4Å; I47-I91 HydrophobicContact CG2-CG2 3.93Å |
| 48 | F | 77 | Confident | 79.8 | Confident | 96 Ų | 96 | 77.7 Ų | 77.7 | 42% | 0.421 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 137.6 | 176.5 | -73 | -90 | 0 | 0 | 0 | 109.6 | M39 Y55 | M39-F48 HydrophobicContact CE-CE2 3.99Å; M39-F48 HydrophobicContact CE-CZ 3.58Å; M39-F48 HydrophobicContact SD-CE2 4.2Å; M39-F48 HydrophobicContact SD-CZ 4.34Å; F48-Y55 HydrophobicContact CD1-CD1 4.25Å; F48-Y55 AromaticContact CD1-CE1 3.84Å; F48-Y55 HydrophobicContact CD1-CE1 3.84Å; F48-Y55 HydrophobicContact CE1-CD1 4.01Å; F48-Y55 AromaticContact CE1-CE1 3.21Å; F48-Y55 HydrophobicContact CE1-CE1 3.21Å; F48-Y55 AromaticContact CE1-CZ 3.82Å; F48-Y55 HydrophobicContact CZ-CD1 4.43Å; F48-Y55 AromaticContact CZ-CE1 3.66Å; F48-Y55 HydrophobicContact CZ-CE1 3.66Å |
| 49 | S | 79 | Confident | 79.9 | Confident | 8 Ų | 8 | 80.9 Ų | 80.9 | 6% | 0.056 | 41% | 0.411 | C | S | . | . | trans | -63 | 148 | 159.6 | 63.9 | 0 | 0 | 0 | 0 | 109.8 | D51 G52 R53 S54 D86 | S49-D51 PolarHBondContact O-N 3.17Å; S49-D51 PolarHBondContact OG-OD1 3.26Å; S49-G52 WeakPolarHBondContact O-CA 3.44Å; S49-G52 PolarHBondContact O-N 3.39Å; S49-G52 PolarHBondContact OG-N 3.12Å; S49-R53 PolarHBondContact OG-N 3.32Å; S49-R53 VanDerWaalsContact OG-N 3.17Å; S49-S54 WeakPolarHBondContact CB-OG 3.36Å; S49-S54 PolarHBondContact N-O 3.26Å; S49-S54 PolarHBondContact OG-N 2.82Å; S49-S54 VanDerWaalsContact OG-N 3.14Å; S49-S54 PolarHBondContact OG-OG 3.14Å; S49-D86 CarbonylContact C-O 3.59Å; S49-D86 WeakPolarHBondContact CA-O 3.07Å; S49-D86 WeakPolarHBondContact CB-O 3.49Å | ||
| 50 | T | 77 | Confident | 80.3 | Confident | 90 Ų | 90 | 82.3 Ų | 82.3 | 55% | 0.552 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.3 | 175.4 | 53.7 | 0 | 0 | 0 | 0 | 111.5 | G52 D86 | T50-G52 VanDerWaalsContact C-N 3.29Å; T50-D86 PolarHBondContact N-O 2.73Å; T50-D86 PolarHBondContact OG1-O 3.38Å |
| 51 | D | 76.3 | Confident | 80.6 | Confident | 62 Ų | 62 | 78 Ų | 78 | 33% | 0.332 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -11.2 | 173.7 | 95.2 | -22.5 | 0 | 0 | 0 | 113.9 | S49 R53 | S49-D51 PolarHBondContact O-N 3.17Å; S49-D51 PolarHBondContact OG-OD1 3.26Å; D51-R53 VanDerWaalsContact C-N 3.28Å; D51-R53 VanDerWaalsContact CG-CG 3.43Å; D51-R53 PolarHBondContact O-N 2.91Å; D51-R53 WeakPolarHBondContact OD1-CA 3.42Å; D51-R53 WeakPolarHBondContact OD1-CB 3.39Å; D51-R53 WeakPolarHBondContact OD1-CG 3.31Å; D51-R53 PolarHBondContact OD1-N 3.26Å; D51-R53 WeakPolarHBondContact OD2-CB 3.48Å; D51-R53 WeakPolarHBondContact OD2-CD 3.13Å; D51-R53 WeakPolarHBondContact OD2-CG 3.48Å; D51-R53 IonicContact OD2-CZ 3.21Å; D51-R53 IonicContact OD2-NE 2.82Å; D51-R53 PolarHBondContact OD2-NE 2.87Å; D51-R53 IonicContact OD2-NH1 3.99Å; D51-R53 PolarHBondContact OD2-NH1 2.86Å |
| 52 | G | 71.1 | Confident | 80.6 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 57% | 0.567 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 71.2 | 10.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | S49 T50 | S49-G52 WeakPolarHBondContact O-CA 3.44Å; S49-G52 PolarHBondContact O-N 3.39Å; S49-G52 PolarHBondContact OG-N 3.12Å; T50-G52 VanDerWaalsContact C-N 3.29Å |
| 53 | R | 73.6 | Confident | 81.1 | Confident | 212 Ų | 212 | 75.6 Ų | 75.6 | 80% | 0.8 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -88.3 | -25.5 | -177.8 | -64.4 | -171.7 | -172.2 | 133.8 | -12 | 114.2 | S49 D51 | S49-R53 PolarHBondContact OG-N 3.32Å; S49-R53 VanDerWaalsContact OG-N 3.17Å; D51-R53 VanDerWaalsContact C-N 3.28Å; D51-R53 VanDerWaalsContact CG-CG 3.43Å; D51-R53 PolarHBondContact O-N 2.91Å; D51-R53 WeakPolarHBondContact OD1-CA 3.42Å; D51-R53 WeakPolarHBondContact OD1-CB 3.39Å; D51-R53 WeakPolarHBondContact OD1-CG 3.31Å; D51-R53 PolarHBondContact OD1-N 3.26Å; D51-R53 WeakPolarHBondContact OD2-CB 3.48Å; D51-R53 WeakPolarHBondContact OD2-CD 3.13Å; D51-R53 WeakPolarHBondContact OD2-CG 3.48Å; D51-R53 IonicContact OD2-CZ 3.21Å; D51-R53 IonicContact OD2-NE 2.82Å; D51-R53 PolarHBondContact OD2-NE 2.87Å; D51-R53 IonicContact OD2-NH1 3.99Å; D51-R53 PolarHBondContact OD2-NH1 2.86Å |
| 54 | S | 79.2 | Confident | 81.6 | Confident | 57 Ų | 57 | 69.6 Ų | 69.6 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | trans | -128 | 152.9 | -176.2 | 68 | 0 | 0 | 0 | 0 | 113 | S49 | S49-S54 WeakPolarHBondContact CB-OG 3.36Å; S49-S54 PolarHBondContact N-O 3.26Å; S49-S54 PolarHBondContact OG-N 2.82Å; S49-S54 VanDerWaalsContact OG-N 3.14Å; S49-S54 PolarHBondContact OG-OG 3.14Å | ||
| 55 | Y | 80 | Confident | 82.2 | Confident | 63 Ų | 63 | 66.3 Ų | 66.3 | 25% | 0.247 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.8 | 169.3 | -67.1 | -86 | 0 | 0 | 0 | 108.2 | V32 I35 M39 L46 F48 | V32-Y55 WeakPolarHBondContact CG1-OH 3.32Å; V32-Y55 HydrophobicContact CG2-CE2 4.27Å; I35-Y55 HydrophobicContact CD1-CD2 4.14Å; I35-Y55 HydrophobicContact CD1-CE2 4.16Å; I35-Y55 HydrophobicContact CG2-CD1 3.92Å; I35-Y55 HydrophobicContact CG2-CE1 3.71Å; I35-Y55 HydrophobicContact CG2-CE2 4.41Å; I35-Y55 HydrophobicContact CG2-CG 4.34Å; M39-Y55 HydrophobicContact CE-CE1 3.99Å; L46-Y55 HydrophobicContact CB-CD1 4.23Å; L46-Y55 HydrophobicContact CD1-CD1 4.07Å; L46-Y55 HydrophobicContact CD1-CG 4.28Å; F48-Y55 HydrophobicContact CD1-CD1 4.25Å; F48-Y55 AromaticContact CD1-CE1 3.84Å; F48-Y55 HydrophobicContact CD1-CE1 3.84Å; F48-Y55 HydrophobicContact CE1-CD1 4.01Å; F48-Y55 AromaticContact CE1-CE1 3.21Å; F48-Y55 HydrophobicContact CE1-CE1 3.21Å; F48-Y55 AromaticContact CE1-CZ 3.82Å; F48-Y55 HydrophobicContact CZ-CD1 4.43Å; F48-Y55 AromaticContact CZ-CE1 3.66Å; F48-Y55 HydrophobicContact CZ-CE1 3.66Å |
| 56 | L | 83.3 | Confident | 83 | Confident | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.4 | -179.3 | -150.9 | 65.5 | 0 | 0 | 0 | 110.4 | L46 I47 E60 L61 E64 V87 | L46-L56 WeakPolarHBondContact CA-O 3.49Å; I47-L56 HydrophobicContact CB-CB 4.46Å; I47-L56 PolarHBondContact N-O 3.32Å; I47-L56 PolarHBondContact O-N 2.97Å; L56-E60 HydrophobicContact CD1-CB 3.92Å; L56-E60 HydrophobicContact CD1-CG 3.77Å; L56-E60 HydrophobicContact CG-CB 4.27Å; L56-L61 HydrophobicContact CD2-CB 3.54Å; L56-L61 HydrophobicContact CD2-CD1 3.56Å; L56-L61 HydrophobicContact CD2-CG 4.06Å; L56-L61 HydrophobicContact CG-CB 4.09Å; L56-E64 VanDerWaalsContact CD1-OE1 3.31Å; L56-E64 WeakPolarHBondContact CD1-OE1 3.44Å; L56-E64 VanDerWaalsContact CD2-OE2 3.27Å; L56-E64 WeakPolarHBondContact CD2-OE2 3.39Å; L56-V87 HydrophobicContact CD2-CG2 4.49Å |
| 57 | T | 85.6 | Confident | 83.6 | Confident | 64 Ų | 64 | 66 Ų | 66 | 39% | 0.393 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 158.6 | 167.9 | 65.6 | 0 | 0 | 0 | 0 | 109.1 | L46 D59 E60 L61 | L46-T57 HydrophobicContact CD2-CG2 3.67Å; T57-D59 VanDerWaalsContact C-N 3.26Å; T57-D59 PolarHBondContact O-N 2.69Å; T57-E60 PolarHBondContact O-N 3.28Å; T57-E60 WeakPolarHBondContact OG1-CB 3.48Å; T57-E60 PolarHBondContact OG1-N 2.69Å; T57-E60 VanDerWaalsContact OG1-N 3.12Å; T57-L61 WeakPolarHBondContact O-CB 3.11Å; T57-L61 PolarHBondContact O-N 2.73Å |
| 58 | R | 83.4 | Confident | 84.3 | Confident | 118 Ų | 118 | 66.9 Ų | 66.9 | 45% | 0.445 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 175.6 | -68.3 | 179.5 | 178.4 | -173.6 | -12.3 | 112.1 | L61 D62 | R58-L61 PolarHBondContact O-N 3.41Å; R58-D62 WeakPolarHBondContact O-CB 2.93Å; R58-D62 PolarHBondContact O-N 3.4Å; R58-D62 VanDerWaalsContact O-OD1 3.1Å |
| 59 | D | 86.8 | Confident | 85.1 | Confident | 127 Ų | 127 | 62.3 Ų | 62.3 | 68% | 0.679 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -71 | -34.3 | -179.3 | -58.8 | -25.7 | 0 | 0 | 0 | 111.8 | T57 D62 K63 | T57-D59 VanDerWaalsContact C-N 3.26Å; T57-D59 PolarHBondContact O-N 2.69Å; D59-D62 WeakPolarHBondContact O-CB 3.43Å; D59-K63 PolarHBondContact O-N 2.82Å |
| 60 | E | 88.1 | Confident | 85.7 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.9 | -40.7 | 172.9 | -162.8 | 65.1 | -146.7 | 0 | 0 | 111 | L56 T57 D62 K63 E64 | L56-E60 HydrophobicContact CD1-CB 3.92Å; L56-E60 HydrophobicContact CD1-CG 3.77Å; L56-E60 HydrophobicContact CG-CB 4.27Å; T57-E60 PolarHBondContact O-N 3.28Å; T57-E60 WeakPolarHBondContact OG1-CB 3.48Å; T57-E60 PolarHBondContact OG1-N 2.69Å; T57-E60 VanDerWaalsContact OG1-N 3.12Å; E60-D62 VanDerWaalsContact C-N 3.28Å; E60-D62 PolarHBondContact O-N 2.83Å; E60-K63 WeakPolarHBondContact O-CB 3.49Å; E60-K63 PolarHBondContact O-N 2.63Å; E60-K63 VanDerWaalsContact O-N 3.09Å; E60-K63 IonicContact OE1-NZ 3.22Å; E60-K63 PolarHBondContact OE1-NZ 3.16Å; E60-E64 HydrophobicContact CG-CG 4.4Å; E60-E64 WeakPolarHBondContact O-CB 3.5Å; E60-E64 WeakPolarHBondContact O-CG 3.21Å; E60-E64 PolarHBondContact O-N 2.75Å |
| 61 | L | 89.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 174.3 | -179 | 57.8 | 0 | 0 | 0 | 111.9 | I47 L56 T57 R58 K63 E64 I65 L85 V87 I91 I92 R95 | I47-L61 HydrophobicContact CD1-CD2 3.33Å; L56-L61 HydrophobicContact CD2-CB 3.54Å; L56-L61 HydrophobicContact CD2-CD1 3.56Å; L56-L61 HydrophobicContact CD2-CG 4.06Å; L56-L61 HydrophobicContact CG-CB 4.09Å; T57-L61 WeakPolarHBondContact O-CB 3.11Å; T57-L61 PolarHBondContact O-N 2.73Å; R58-L61 PolarHBondContact O-N 3.41Å; L61-K63 PolarHBondContact O-N 2.66Å; L61-E64 PolarHBondContact O-N 2.94Å; L61-I65 HydrophobicContact CD1-CD1 3.9Å; L61-I65 HydrophobicContact CD1-CG1 3.9Å; L61-I65 HydrophobicContact CD2-CD1 4.39Å; L61-I65 HydrophobicContact CG-CD1 3.77Å; L61-I65 HydrophobicContact CG-CG1 4.23Å; L61-I65 WeakPolarHBondContact O-CB 3.36Å; L61-I65 WeakPolarHBondContact O-CG1 3.45Å; L61-I65 PolarHBondContact O-N 3.35Å; L61-L85 HydrophobicContact CD1-CD1 4.14Å; L61-V87 HydrophobicContact CD1-CG2 4.31Å; L61-I91 HydrophobicContact CD2-CG2 4.48Å; L61-I92 HydrophobicContact CD1-CD1 3.82Å; L61-R95 HydrophobicContact CD2-CB 4.36Å; L61-R95 HydrophobicContact CD2-CG 4.06Å; L61-R95 HydrophobicContact CG-CG 4.47Å |
| 62 | D | 90.8 | Very high | 87.3 | Confident | 19 Ų | 19 | 67.3 Ų | 67.3 | 10% | 0.102 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.6 | -36 | 175.5 | -78.9 | 6.4 | 0 | 0 | 0 | 113.8 | R58 D59 E60 R66 R95 L99 | R58-D62 WeakPolarHBondContact O-CB 2.93Å; R58-D62 PolarHBondContact O-N 3.4Å; R58-D62 VanDerWaalsContact O-OD1 3.1Å; D59-D62 WeakPolarHBondContact O-CB 3.43Å; E60-D62 VanDerWaalsContact C-N 3.28Å; E60-D62 PolarHBondContact O-N 2.83Å; D62-R66 WeakPolarHBondContact O-CG 3.45Å; D62-R66 PolarHBondContact O-N 3.42Å; D62-R66 PolarHBondContact O-NH1 3.42Å; D62-R95 IonicContact OD1-CZ 2.97Å; D62-R95 IonicContact OD1-NE 3.33Å; D62-R95 PolarHBondContact OD1-NE 2.9Å; D62-R95 IonicContact OD1-NH2 2.82Å; D62-R95 PolarHBondContact OD1-NH2 2.78Å; D62-R95 IonicContact OD2-CZ 2.84Å; D62-R95 IonicContact OD2-NH2 3.2Å; D62-R95 PolarHBondContact OD2-NH2 3.46Å; D62-L99 HydrophobicContact CB-CD2 4.29Å; D62-L99 WeakPolarHBondContact OD2-CD2 3.25Å |
| 63 | K | 89.9 | Confident | 88.2 | Confident | 103 Ų | 103 | 68.9 Ų | 68.9 | 45% | 0.448 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -75.9 | -48.5 | 178.4 | -179.3 | 179.3 | 150.5 | -126.3 | 0 | 109.8 | D59 E60 L61 I65 R66 D67 | D59-K63 PolarHBondContact O-N 2.82Å; E60-K63 WeakPolarHBondContact O-CB 3.49Å; E60-K63 PolarHBondContact O-N 2.63Å; E60-K63 VanDerWaalsContact O-N 3.09Å; E60-K63 IonicContact OE1-NZ 3.22Å; E60-K63 PolarHBondContact OE1-NZ 3.16Å; L61-K63 PolarHBondContact O-N 2.66Å; K63-I65 PolarHBondContact O-N 3.37Å; K63-R66 PolarHBondContact O-N 2.81Å; K63-R66 VanDerWaalsContact O-N 3.09Å; K63-D67 WeakPolarHBondContact O-CB 3.27Å; K63-D67 VanDerWaalsContact O-CG 3.24Å; K63-D67 PolarHBondContact O-N 3.09Å |
| 64 | E | 91.2 | Very high | 89 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 176.1 | -74.1 | -176.8 | -174.7 | 0 | 0 | 112.3 | L56 E60 L61 R66 D67 E68 L85 | L56-E64 VanDerWaalsContact CD1-OE1 3.31Å; L56-E64 WeakPolarHBondContact CD1-OE1 3.44Å; L56-E64 VanDerWaalsContact CD2-OE2 3.27Å; L56-E64 WeakPolarHBondContact CD2-OE2 3.39Å; E60-E64 HydrophobicContact CG-CG 4.4Å; E60-E64 WeakPolarHBondContact O-CB 3.5Å; E60-E64 WeakPolarHBondContact O-CG 3.21Å; E60-E64 PolarHBondContact O-N 2.75Å; L61-E64 PolarHBondContact O-N 2.94Å; E64-R66 VanDerWaalsContact C-N 3.31Å; E64-R66 PolarHBondContact O-N 2.83Å; E64-D67 PolarHBondContact O-N 3.38Å; E64-E68 WeakPolarHBondContact O-CB 3.35Å; E64-E68 PolarHBondContact O-N 3.05Å; E64-L85 HydrophobicContact CB-CD2 3.83Å |
| 65 | I | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.5 | -45 | 174.3 | -72.8 | 168.9 | 0 | 0 | 0 | 110.7 | L61 K63 V69 L81 L85 I92 R95 V96 L99 L112 | L61-I65 HydrophobicContact CD1-CD1 3.9Å; L61-I65 HydrophobicContact CD1-CG1 3.9Å; L61-I65 HydrophobicContact CD2-CD1 4.39Å; L61-I65 HydrophobicContact CG-CD1 3.77Å; L61-I65 HydrophobicContact CG-CG1 4.23Å; L61-I65 WeakPolarHBondContact O-CB 3.36Å; L61-I65 WeakPolarHBondContact O-CG1 3.45Å; L61-I65 PolarHBondContact O-N 3.35Å; K63-I65 PolarHBondContact O-N 3.37Å; I65-V69 WeakPolarHBondContact O-CB 3.42Å; I65-V69 WeakPolarHBondContact O-CG2 3.25Å; I65-V69 PolarHBondContact O-N 3.41Å; I65-L81 HydrophobicContact CG2-CD2 4.23Å; I65-L85 HydrophobicContact CG1-CD1 3.75Å; I65-I92 HydrophobicContact CD1-CD1 4.2Å; I65-I92 HydrophobicContact CG1-CD1 4.29Å; I65-R95 HydrophobicContact CD1-CB 4.26Å; I65-R95 HydrophobicContact CD1-CG 3.97Å; I65-V96 HydrophobicContact CD1-CG2 4.32Å; I65-V96 HydrophobicContact CG2-CG2 4.21Å; I65-L99 HydrophobicContact CB-CD1 4.37Å; I65-L99 HydrophobicContact CD1-CD1 4.07Å; I65-L99 HydrophobicContact CG2-CD1 4.09Å; I65-L112 HydrophobicContact CG2-CD1 4.06Å |
| 66 | R | 91.7 | Very high | 90.4 | Very high | 62 Ų | 62 | 55.6 Ų | 55.6 | 23% | 0.234 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.6 | -43.8 | -179.4 | -74.3 | -177 | -177.7 | 94.3 | -7.7 | 112 | D62 K63 E64 E68 V69 E70 D103 | D62-R66 WeakPolarHBondContact O-CG 3.45Å; D62-R66 PolarHBondContact O-N 3.42Å; D62-R66 PolarHBondContact O-NH1 3.42Å; K63-R66 PolarHBondContact O-N 2.81Å; K63-R66 VanDerWaalsContact O-N 3.09Å; E64-R66 VanDerWaalsContact C-N 3.31Å; E64-R66 PolarHBondContact O-N 2.83Å; R66-E68 VanDerWaalsContact C-N 3.31Å; R66-E68 PolarHBondContact O-N 2.93Å; R66-V69 PolarHBondContact O-N 3.46Å; R66-E70 WeakPolarHBondContact O-CB 3.39Å; R66-E70 PolarHBondContact O-N 3.09Å; R66-D103 IonicContact NH2-OD1 3.28Å; R66-D103 PolarHBondContact NH2-OD1 2.79Å; R66-D103 VanDerWaalsContact NH2-OD1 3.16Å; R66-D103 IonicContact NH2-OD2 2.82Å |
| 67 | D | 92.4 | Very high | 91 | Very high | 84 Ų | 84 | 56.4 Ų | 56.4 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 178.7 | -69.3 | -9.5 | 0 | 0 | 0 | 110.3 | K63 E64 E70 A71 | K63-D67 WeakPolarHBondContact O-CB 3.27Å; K63-D67 VanDerWaalsContact O-CG 3.24Å; K63-D67 PolarHBondContact O-N 3.09Å; E64-D67 PolarHBondContact O-N 3.38Å; D67-E70 PolarHBondContact O-N 3.18Å; D67-A71 WeakPolarHBondContact O-CB 3.4Å; D67-A71 PolarHBondContact O-N 3.06Å |
| 68 | E | 93.3 | Very high | 91.3 | Very high | 41 Ų | 41 | 54 Ų | 54 | 19% | 0.192 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.9 | -40.1 | 179.5 | -166.6 | 60.5 | -155.1 | 0 | 0 | 112.4 | E64 R66 E70 A71 H72 I76 L81 N84 L85 | E64-E68 WeakPolarHBondContact O-CB 3.35Å; E64-E68 PolarHBondContact O-N 3.05Å; R66-E68 VanDerWaalsContact C-N 3.31Å; R66-E68 PolarHBondContact O-N 2.93Å; E68-E70 VanDerWaalsContact C-N 3.32Å; E68-A71 PolarHBondContact O-N 3.32Å; E68-H72 PolarHBondContact O-N 3.04Å; E68-H72 VanDerWaalsContact O-N 3.09Å; E68-H72 PolarHBondContact O-ND1 3.34Å; E68-H72 IonicContact OE1-CE1 3.88Å; E68-H72 PolarHBondContact OE1-CE1 3.15Å; E68-H72 IonicContact OE1-ND1 3.9Å; E68-H72 PolarHBondContact OE1-ND1 3.05Å; E68-I76 HydrophobicContact CG-CD1 4.06Å; E68-L81 HydrophobicContact CB-CD1 3.82Å; E68-L81 HydrophobicContact CG-CD1 3.69Å; E68-N84 HydrophobicContact CG-CB 4.22Å; E68-N84 VanDerWaalsContact OE1-CB 3.27Å; E68-N84 WeakPolarHBondContact OE1-CB 3.13Å; E68-N84 PolarHBondContact OE1-ND2 3.39Å; E68-L85 HydrophobicContact CB-CD2 4.18Å; E68-L85 HydrophobicContact CG-CD2 4.28Å; E68-L85 HydrophobicContact CG-CG 4.48Å |
| 69 | V | 93.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 171.8 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | I65 R66 H72 G74 I76 L112 V119 N121 | I65-V69 WeakPolarHBondContact O-CB 3.42Å; I65-V69 WeakPolarHBondContact O-CG2 3.25Å; I65-V69 PolarHBondContact O-N 3.41Å; R66-V69 PolarHBondContact O-N 3.46Å; V69-H72 PolarHBondContact O-N 3.43Å; V69-G74 WeakPolarHBondContact O-CA 3.47Å; V69-G74 PolarHBondContact O-N 3.19Å; V69-I76 HydrophobicContact CG2-CG2 3.75Å; V69-L112 HydrophobicContact CB-CD2 4.49Å; V69-L112 HydrophobicContact CG1-CD2 4.17Å; V69-L112 HydrophobicContact CG2-CD2 4.3Å; V69-V119 HydrophobicContact CG2-CG1 3.76Å; V69-N121 HydrophobicContact CG1-CB 4.06Å |
| 70 | E | 91.3 | Very high | 92.1 | Very high | 120 Ų | 120 | 51.2 Ų | 51.2 | 56% | 0.561 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -67 | -40.2 | 176.5 | -171.8 | 166.1 | -177.9 | 0 | 0 | 112 | R66 D67 E68 H72 S73 | R66-E70 WeakPolarHBondContact O-CB 3.39Å; R66-E70 PolarHBondContact O-N 3.09Å; D67-E70 PolarHBondContact O-N 3.18Å; E68-E70 VanDerWaalsContact C-N 3.32Å; E70-H72 VanDerWaalsContact C-N 3.26Å; E70-H72 PolarHBondContact O-N 2.82Å; E70-S73 PolarHBondContact O-N 2.92Å |
| 71 | A | 93 | Very high | 92.3 | Very high | 71 Ų | 71 | 48 Ų | 48 | 59% | 0.587 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59 | -36 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D67 E68 S73 | D67-A71 WeakPolarHBondContact O-CB 3.4Å; D67-A71 PolarHBondContact O-N 3.06Å; E68-A71 PolarHBondContact O-N 3.32Å; A71-S73 PolarHBondContact O-N 3.37Å |
| 72 | H | 92.7 | Very high | 92.4 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 26.3 | 175.3 | -71.2 | 73.5 | 0 | 0 | 0 | 113.4 | E68 V69 E70 G74 R75 I76 N84 | E68-H72 PolarHBondContact O-N 3.04Å; E68-H72 VanDerWaalsContact O-N 3.09Å; E68-H72 PolarHBondContact O-ND1 3.34Å; E68-H72 IonicContact OE1-CE1 3.88Å; E68-H72 PolarHBondContact OE1-CE1 3.15Å; E68-H72 IonicContact OE1-ND1 3.9Å; E68-H72 PolarHBondContact OE1-ND1 3.05Å; V69-H72 PolarHBondContact O-N 3.43Å; E70-H72 VanDerWaalsContact C-N 3.26Å; E70-H72 PolarHBondContact O-N 2.82Å; H72-G74 PolarHBondContact O-N 3.21Å; H72-R75 WeakPolarHBondContact CB-O 3.26Å; H72-R75 PolarHBondContact O-N 3.28Å; H72-I76 HydrophobicContact CB-CB 4.09Å; H72-I76 HydrophobicContact CB-CD1 4.36Å; H72-I76 HydrophobicContact CB-CG1 4.39Å; H72-N84 PolarHBondContact CE1-ND2 3.46Å; H72-N84 PolarHBondContact NE2-ND2 3.36Å |
| 73 | S | 90.5 | Very high | 92.4 | Very high | 87 Ų | 87 | 51.1 Ų | 51.1 | 61% | 0.608 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 34.6 | -179.3 | -58.7 | 0 | 0 | 0 | 0 | 113 | E70 A71 R127 | E70-S73 PolarHBondContact O-N 2.92Å; A71-S73 PolarHBondContact O-N 3.37Å; S73-R127 PolarHBondContact O-NH2 3.06Å |
| 74 | G | 91.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 7.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | V69 H72 V120 N121 Y124 | V69-G74 WeakPolarHBondContact O-CA 3.47Å; V69-G74 PolarHBondContact O-N 3.19Å; H72-G74 PolarHBondContact O-N 3.21Å; G74-V120 CarbonylContact O-C 3.6Å; G74-V120 WeakPolarHBondContact O-CA 3.5Å; G74-N121 WeakPolarHBondContact CA-ND2 3.43Å; G74-N121 WeakPolarHBondContact CA-OD1 3.44Å; G74-N121 PolarHBondContact O-N 2.93Å; G74-Y124 WeakPolarHBondContact O-CB 3.44Å |
| 75 | R | 93.9 | Very high | 92.3 | Very high | 49 Ų | 49 | 47.8 Ų | 47.8 | 19% | 0.185 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 125.7 | 174.6 | 175.3 | 172.6 | -179.1 | -171.1 | -0.9 | 110.1 | H72 E118 V120 Y124 F151 N152 | H72-R75 WeakPolarHBondContact CB-O 3.26Å; H72-R75 PolarHBondContact O-N 3.28Å; R75-E118 IonicContact CZ-OE2 3.51Å; R75-E118 IonicContact NE-OE1 2.72Å; R75-E118 IonicContact NE-OE2 3.85Å; R75-E118 PolarHBondContact NE-OE2 3.4Å; R75-E118 IonicContact NH2-OE1 3.5Å; R75-E118 PolarHBondContact NH2-OE1 2.86Å; R75-E118 IonicContact NH2-OE2 2.82Å; R75-E118 PolarHBondContact NH2-OE2 2.68Å; R75-V120 HydrophobicContact CB-CG1 3.83Å; R75-V120 HydrophobicContact CG-CG1 3.74Å; R75-Y124 HydrophobicContact CB-CD1 4.45Å; R75-Y124 HydrophobicContact CB-CD2 4.06Å; R75-Y124 HydrophobicContact CB-CE1 4.35Å; R75-Y124 HydrophobicContact CB-CE2 3.98Å; R75-Y124 HydrophobicContact CB-CG 4.31Å; R75-Y124 WeakPolarHBondContact CD-OH 3.27Å; R75-Y124 PolarHBondContact NH1-OH 3.49Å; R75-F151 PolarHBondContact NH1-O 3.11Å; R75-N152 PolarHBondContact NH1-O 3.07Å; R75-N152 PolarHBondContact NH2-O 2.92Å |
| 76 | I | 95.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 146.3 | 177.6 | -166 | 174.3 | 0 | 0 | 0 | 110.6 | E68 V69 H72 E80 L81 V119 | E68-I76 HydrophobicContact CG-CD1 4.06Å; V69-I76 HydrophobicContact CG2-CG2 3.75Å; H72-I76 HydrophobicContact CB-CB 4.09Å; H72-I76 HydrophobicContact CB-CD1 4.36Å; H72-I76 HydrophobicContact CB-CG1 4.39Å; I76-E80 HydrophobicContact CD1-CB 4.16Å; I76-E80 HydrophobicContact CG1-CB 3.84Å; I76-L81 HydrophobicContact CD1-CB 4.06Å; I76-L81 HydrophobicContact CD1-CD1 4.24Å; I76-L81 HydrophobicContact CG1-CB 4.44Å; I76-L81 HydrophobicContact CG2-CB 4.25Å; I76-L81 HydrophobicContact CG2-CD1 4.4Å; I76-V119 HydrophobicContact CG2-CG1 3.58Å; I76-V119 PolarHBondContact N-O 3.21Å; I76-V119 VanDerWaalsContact N-O 3.11Å; I76-V119 PolarHBondContact O-N 3.07Å |
| 77 | T | 94.5 | Very high | 92 | Very high | 32 Ų | 32 | 48.8 Ų | 48.8 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 146.7 | 171.8 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | T79 E80 L81 E118 | T77-T79 PolarHBondContact O-N 3.19Å; T77-T79 PolarHBondContact OG1-OG1 3.49Å; T77-T79 VanDerWaalsContact OG1-OG1 3.13Å; T77-E80 PolarHBondContact N-OE2 3.24Å; T77-E80 PolarHBondContact O-N 3.25Å; T77-E80 VanDerWaalsContact O-N 3.16Å; T77-E80 VanDerWaalsContact OG1-CB 3.23Å; T77-E80 WeakPolarHBondContact OG1-CB 3.4Å; T77-E80 WeakPolarHBondContact OG1-CG 3.33Å; T77-E80 PolarHBondContact OG1-N 2.85Å; T77-E80 PolarHBondContact OG1-OE2 3.48Å; T77-L81 WeakPolarHBondContact O-CB 3.36Å; T77-L81 PolarHBondContact O-N 3.21Å; T77-E118 HydrophobicContact CG2-CG 3.85Å |
| 78 | L | 92.8 | Very high | 91.8 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.5 | -29.1 | 178.4 | -65.6 | 179.2 | 0 | 0 | 0 | 112 | L81 A82 F89 E93 V96 S117 V119 | L78-L81 HydrophobicContact CD2-CD2 4.43Å; L78-A82 VanDerWaalsContact O-CB 3.31Å; L78-A82 WeakPolarHBondContact O-CB 3.48Å; L78-A82 PolarHBondContact O-N 2.92Å; L78-F89 HydrophobicContact CB-CD2 4.44Å; L78-F89 HydrophobicContact CB-CE2 3.62Å; L78-F89 HydrophobicContact CB-CZ 4.19Å; L78-F89 HydrophobicContact CD1-CZ 4.48Å; L78-E93 HydrophobicContact CD1-CG 4.24Å; L78-V96 HydrophobicContact CD2-CB 4.42Å; L78-V96 HydrophobicContact CD2-CG1 4.26Å; L78-V96 HydrophobicContact CD2-CG2 4.14Å; L78-S117 PolarHBondContact N-O 3.23Å; L78-V119 HydrophobicContact CD2-CB 4.37Å; L78-V119 HydrophobicContact CD2-CG1 4.31Å |
| 79 | T | 92.4 | Very high | 91.6 | Very high | 92 Ų | 92 | 49.7 Ų | 49.7 | 56% | 0.564 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -68.6 | -43.6 | 174.7 | 47 | 0 | 0 | 0 | 0 | 112.8 | T77 S83 F89 | T77-T79 PolarHBondContact O-N 3.19Å; T77-T79 PolarHBondContact OG1-OG1 3.49Å; T77-T79 VanDerWaalsContact OG1-OG1 3.13Å; T79-S83 WeakPolarHBondContact O-CB 3.24Å; T79-S83 PolarHBondContact O-N 3.41Å; T79-F89 HydrophobicContact CG2-CD2 4.26Å; T79-F89 HydrophobicContact CG2-CE2 3.95Å |
| 80 | E | 93.2 | Very high | 91.4 | Very high | 96 Ų | 96 | 54.6 Ų | 54.6 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.8 | -38.6 | 175.1 | -73.4 | 163 | 162.3 | 0 | 0 | 110.9 | I76 T77 S83 N84 | I76-E80 HydrophobicContact CD1-CB 4.16Å; I76-E80 HydrophobicContact CG1-CB 3.84Å; T77-E80 PolarHBondContact N-OE2 3.24Å; T77-E80 PolarHBondContact O-N 3.25Å; T77-E80 VanDerWaalsContact O-N 3.16Å; T77-E80 VanDerWaalsContact OG1-CB 3.23Å; T77-E80 WeakPolarHBondContact OG1-CB 3.4Å; T77-E80 WeakPolarHBondContact OG1-CG 3.33Å; T77-E80 PolarHBondContact OG1-N 2.85Å; T77-E80 PolarHBondContact OG1-OE2 3.48Å; E80-S83 WeakPolarHBondContact O-CB 3.3Å; E80-S83 PolarHBondContact O-N 3.44Å; E80-N84 WeakPolarHBondContact O-CB 3.44Å; E80-N84 PolarHBondContact O-N 3.33Å; E80-N84 PolarHBondContact O-OD1 3.48Å |
| 81 | L | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 176.1 | -176.1 | 62.7 | 0 | 0 | 0 | 111.8 | I65 E68 I76 T77 L78 S83 N84 L85 I92 V96 V119 | I65-L81 HydrophobicContact CG2-CD2 4.23Å; E68-L81 HydrophobicContact CB-CD1 3.82Å; E68-L81 HydrophobicContact CG-CD1 3.69Å; I76-L81 HydrophobicContact CD1-CB 4.06Å; I76-L81 HydrophobicContact CD1-CD1 4.24Å; I76-L81 HydrophobicContact CG1-CB 4.44Å; I76-L81 HydrophobicContact CG2-CB 4.25Å; I76-L81 HydrophobicContact CG2-CD1 4.4Å; T77-L81 WeakPolarHBondContact O-CB 3.36Å; T77-L81 PolarHBondContact O-N 3.21Å; L78-L81 HydrophobicContact CD2-CD2 4.43Å; L81-S83 VanDerWaalsContact C-N 3.32Å; L81-S83 PolarHBondContact O-N 2.81Å; L81-N84 PolarHBondContact O-N 3.27Å; L81-L85 HydrophobicContact CD1-CD1 3.7Å; L81-L85 HydrophobicContact CD1-CG 4.17Å; L81-L85 HydrophobicContact CG-CD1 4.11Å; L81-L85 WeakPolarHBondContact O-CB 3.5Å; L81-L85 WeakPolarHBondContact O-CG 3.23Å; L81-L85 PolarHBondContact O-N 3.37Å; L81-L85 VanDerWaalsContact O-N 3.11Å; L81-I92 HydrophobicContact CB-CG2 4.45Å; L81-I92 HydrophobicContact CD2-CG2 3.67Å; L81-I92 HydrophobicContact CG-CG2 3.99Å; L81-V96 HydrophobicContact CD2-CG2 3.96Å; L81-V119 HydrophobicContact CD2-CG1 4.16Å |
| 82 | A | 91 | Very high | 91.1 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L78 D86 V87 F89 I92 | L78-A82 VanDerWaalsContact O-CB 3.31Å; L78-A82 WeakPolarHBondContact O-CB 3.48Å; L78-A82 PolarHBondContact O-N 2.92Å; A82-D86 PolarHBondContact O-N 2.83Å; A82-V87 WeakPolarHBondContact CB-O 3.16Å; A82-V87 PolarHBondContact O-N 2.82Å; A82-F89 HydrophobicContact CB-CB 4.42Å; A82-F89 HydrophobicContact CB-CD2 4.45Å; A82-I92 HydrophobicContact CB-CG1 4.21Å |
| 83 | S | 90.7 | Very high | 91 | Very high | 75 Ų | 75 | 49.1 Ų | 49.1 | 52% | 0.524 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.9 | -50.3 | 174.4 | 155.8 | 0 | 0 | 0 | 0 | 112.4 | T79 E80 L81 L85 D86 | T79-S83 WeakPolarHBondContact O-CB 3.24Å; T79-S83 PolarHBondContact O-N 3.41Å; E80-S83 WeakPolarHBondContact O-CB 3.3Å; E80-S83 PolarHBondContact O-N 3.44Å; L81-S83 VanDerWaalsContact C-N 3.32Å; L81-S83 PolarHBondContact O-N 2.81Å; S83-L85 PolarHBondContact O-N 3.05Å; S83-D86 PolarHBondContact O-N 3.48Å |
| 84 | N | 91 | Very high | 90.9 | Very high | 70 Ų | 70 | 48.3 Ų | 48.3 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -73.4 | -30.2 | -172.6 | -65.8 | -3.1 | 0 | 0 | 0 | 112.8 | E68 H72 E80 L81 D86 | E68-N84 HydrophobicContact CG-CB 4.22Å; E68-N84 VanDerWaalsContact OE1-CB 3.27Å; E68-N84 WeakPolarHBondContact OE1-CB 3.13Å; E68-N84 PolarHBondContact OE1-ND2 3.39Å; H72-N84 PolarHBondContact CE1-ND2 3.46Å; H72-N84 PolarHBondContact NE2-ND2 3.36Å; E80-N84 WeakPolarHBondContact O-CB 3.44Å; E80-N84 PolarHBondContact O-N 3.33Å; E80-N84 PolarHBondContact O-OD1 3.48Å; L81-N84 PolarHBondContact O-N 3.27Å; N84-D86 VanDerWaalsContact C-N 3.35Å |
| 85 | L | 89.2 | Confident | 90.9 | Very high | 21 Ų | 21 | 49.6 Ų | 49.6 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -6 | 175.9 | -62.1 | -178.2 | 0 | 0 | 0 | 113.1 | L61 E64 I65 E68 L81 S83 V87 I92 | L61-L85 HydrophobicContact CD1-CD1 4.14Å; E64-L85 HydrophobicContact CB-CD2 3.83Å; I65-L85 HydrophobicContact CG1-CD1 3.75Å; E68-L85 HydrophobicContact CB-CD2 4.18Å; E68-L85 HydrophobicContact CG-CD2 4.28Å; E68-L85 HydrophobicContact CG-CG 4.48Å; L81-L85 HydrophobicContact CD1-CD1 3.7Å; L81-L85 HydrophobicContact CD1-CG 4.17Å; L81-L85 HydrophobicContact CG-CD1 4.11Å; L81-L85 WeakPolarHBondContact O-CB 3.5Å; L81-L85 WeakPolarHBondContact O-CG 3.23Å; L81-L85 PolarHBondContact O-N 3.37Å; L81-L85 VanDerWaalsContact O-N 3.11Å; S83-L85 PolarHBondContact O-N 3.05Å; L85-V87 VanDerWaalsContact C-N 3.26Å; L85-V87 HydrophobicContact CB-CG2 4.09Å; L85-V87 WeakPolarHBondContact O-CG2 3.36Å; L85-V87 PolarHBondContact O-N 3.33Å; L85-I92 HydrophobicContact CD1-CD1 3.95Å |
| 86 | D | 88.8 | Confident | 90.8 | Very high | 77 Ų | 77 | 47.6 Ų | 47.6 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 45.5 | -170.1 | -69.7 | -48.9 | 0 | 0 | 0 | 111.7 | S49 T50 A82 S83 N84 | S49-D86 CarbonylContact C-O 3.59Å; S49-D86 WeakPolarHBondContact CA-O 3.07Å; S49-D86 WeakPolarHBondContact CB-O 3.49Å; T50-D86 PolarHBondContact N-O 2.73Å; T50-D86 PolarHBondContact OG1-O 3.38Å; A82-D86 PolarHBondContact O-N 2.83Å; S83-D86 PolarHBondContact O-N 3.48Å; N84-D86 VanDerWaalsContact C-N 3.35Å |
| 87 | V | 87.4 | Confident | 90.5 | Very high | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | trans | -122.2 | 146.6 | 178.9 | -179 | 0 | 0 | 0 | 0 | 110.1 | I47 L56 L61 A82 L85 I91 I92 | I47-V87 HydrophobicContact CG2-CG1 3.89Å; L56-V87 HydrophobicContact CD2-CG2 4.49Å; L61-V87 HydrophobicContact CD1-CG2 4.31Å; A82-V87 WeakPolarHBondContact CB-O 3.16Å; A82-V87 PolarHBondContact O-N 2.82Å; L85-V87 VanDerWaalsContact C-N 3.26Å; L85-V87 HydrophobicContact CB-CG2 4.09Å; L85-V87 WeakPolarHBondContact O-CG2 3.36Å; L85-V87 PolarHBondContact O-N 3.33Å; V87-I91 HydrophobicContact CG1-CB 4.08Å; V87-I91 HydrophobicContact CG1-CG2 4.07Å; V87-I92 HydrophobicContact CB-CD1 3.82Å; V87-I92 HydrophobicContact CB-CG1 3.83Å; V87-I92 HydrophobicContact CG1-CD1 3.86Å; V87-I92 HydrophobicContact CG1-CG1 3.82Å; V87-I92 HydrophobicContact CG2-CD1 4.44Å | ||
| 88 | D | 88.8 | Confident | 90.3 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 40% | 0.401 | 29% | 0.293 | S | S | . | . | trans | -57.1 | 137.9 | 177.7 | -173.5 | -85.8 | 0 | 0 | 0 | 112.3 | D90 I91 I92 | D88-D90 VanDerWaalsContact C-N 3.31Å; D88-D90 PolarHBondContact O-N 2.91Å; D88-D90 WeakPolarHBondContact OD1-CB 3.44Å; D88-D90 PolarHBondContact OD1-N 3.22Å; D88-I91 HydrophobicContact CB-CD1 3.99Å; D88-I91 HydrophobicContact CB-CG1 4.1Å; D88-I91 PolarHBondContact O-N 2.95Å; D88-I92 PolarHBondContact O-N 3.1Å | ||
| 89 | F | 89.4 | Confident | 90.2 | Very high | 70 Ų | 70 | 53.3 Ų | 53.3 | 31% | 0.307 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.9 | -42 | -175.9 | 178.9 | -89.9 | 0 | 0 | 0 | 112.4 | L78 T79 A82 I91 I92 E93 | L78-F89 HydrophobicContact CB-CD2 4.44Å; L78-F89 HydrophobicContact CB-CE2 3.62Å; L78-F89 HydrophobicContact CB-CZ 4.19Å; L78-F89 HydrophobicContact CD1-CZ 4.48Å; T79-F89 HydrophobicContact CG2-CD2 4.26Å; T79-F89 HydrophobicContact CG2-CE2 3.95Å; A82-F89 HydrophobicContact CB-CB 4.42Å; A82-F89 HydrophobicContact CB-CD2 4.45Å; F89-I91 VanDerWaalsContact C-N 3.28Å; F89-I91 PolarHBondContact O-N 3.2Å; F89-I92 PolarHBondContact O-N 3.35Å; F89-E93 HydrophobicContact CE1-CB 4.3Å; F89-E93 WeakPolarHBondContact O-CB 3.29Å; F89-E93 PolarHBondContact O-N 3.29Å |
| 90 | D | 89 | Confident | 90.1 | Very high | 103 Ų | 103 | 50.4 Ų | 50.4 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -68.1 | -33.6 | -176.2 | -65 | -20.7 | 0 | 0 | 0 | 111 | D88 S94 | D88-D90 VanDerWaalsContact C-N 3.31Å; D88-D90 PolarHBondContact O-N 2.91Å; D88-D90 WeakPolarHBondContact OD1-CB 3.44Å; D88-D90 PolarHBondContact OD1-N 3.22Å; D90-S94 VanDerWaalsContact O-CB 3.25Å; D90-S94 WeakPolarHBondContact O-CB 3.26Å; D90-S94 PolarHBondContact O-N 3.32Å; D90-S94 PolarHBondContact O-OG 3.44Å |
| 91 | I | 87.2 | Confident | 89.9 | Confident | 64 Ų | 64 | 51.2 Ų | 51.2 | 33% | 0.328 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.4 | -44.6 | 176.4 | -58.4 | 179 | 0 | 0 | 0 | 110 | I47 L61 V87 D88 F89 R95 | I47-I91 HydrophobicContact CD1-CG2 3.85Å; I47-I91 HydrophobicContact CG1-CG2 4.26Å; I47-I91 HydrophobicContact CG2-CD1 4Å; I47-I91 HydrophobicContact CG2-CG2 3.93Å; L61-I91 HydrophobicContact CD2-CG2 4.48Å; V87-I91 HydrophobicContact CG1-CB 4.08Å; V87-I91 HydrophobicContact CG1-CG2 4.07Å; D88-I91 HydrophobicContact CB-CD1 3.99Å; D88-I91 HydrophobicContact CB-CG1 4.1Å; D88-I91 PolarHBondContact O-N 2.95Å; F89-I91 VanDerWaalsContact C-N 3.28Å; F89-I91 PolarHBondContact O-N 3.2Å; I91-R95 VanDerWaalsContact O-CB 3.26Å; I91-R95 WeakPolarHBondContact O-CB 3.31Å; I91-R95 PolarHBondContact O-N 2.82Å |
| 92 | I | 90.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.6 | -49.4 | 176.5 | -69.8 | -62.6 | 0 | 0 | 0 | 110.9 | L61 I65 L81 A82 L85 V87 D88 F89 S94 R95 V96 | L61-I92 HydrophobicContact CD1-CD1 3.82Å; I65-I92 HydrophobicContact CD1-CD1 4.2Å; I65-I92 HydrophobicContact CG1-CD1 4.29Å; L81-I92 HydrophobicContact CB-CG2 4.45Å; L81-I92 HydrophobicContact CD2-CG2 3.67Å; L81-I92 HydrophobicContact CG-CG2 3.99Å; A82-I92 HydrophobicContact CB-CG1 4.21Å; L85-I92 HydrophobicContact CD1-CD1 3.95Å; V87-I92 HydrophobicContact CB-CD1 3.82Å; V87-I92 HydrophobicContact CB-CG1 3.83Å; V87-I92 HydrophobicContact CG1-CD1 3.86Å; V87-I92 HydrophobicContact CG1-CG1 3.82Å; V87-I92 HydrophobicContact CG2-CD1 4.44Å; D88-I92 PolarHBondContact O-N 3.1Å; F89-I92 PolarHBondContact O-N 3.35Å; I92-S94 PolarHBondContact O-N 2.8Å; I92-R95 PolarHBondContact O-N 3.48Å; I92-V96 HydrophobicContact CG2-CG2 4.14Å; I92-V96 WeakPolarHBondContact O-CB 3.4Å; I92-V96 VanDerWaalsContact O-CG2 3.27Å; I92-V96 WeakPolarHBondContact O-CG2 3.47Å; I92-V96 PolarHBondContact O-N 2.84Å |
| 93 | E | 90.4 | Very high | 89.2 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 40% | 0.402 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 179.9 | -176.4 | 177 | -149.2 | 0 | 0 | 111.6 | L78 F89 R95 T97 | L78-E93 HydrophobicContact CD1-CG 4.24Å; F89-E93 HydrophobicContact CE1-CB 4.3Å; F89-E93 WeakPolarHBondContact O-CB 3.29Å; F89-E93 PolarHBondContact O-N 3.29Å; E93-R95 VanDerWaalsContact C-N 3.35Å; E93-R95 PolarHBondContact O-N 3.06Å; E93-T97 WeakPolarHBondContact O-CB 3.36Å; E93-T97 PolarHBondContact O-N 3.26Å; E93-T97 PolarHBondContact O-OG1 3.34Å |
| 94 | S | 89.7 | Confident | 88.7 | Confident | 71 Ų | 71 | 55.7 Ų | 55.7 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 176.2 | -63 | 0 | 0 | 0 | 0 | 111.3 | D90 I92 T97 E98 | D90-S94 VanDerWaalsContact O-CB 3.25Å; D90-S94 WeakPolarHBondContact O-CB 3.26Å; D90-S94 PolarHBondContact O-N 3.32Å; D90-S94 PolarHBondContact O-OG 3.44Å; I92-S94 PolarHBondContact O-N 2.8Å; S94-T97 PolarHBondContact O-N 3.06Å; S94-E98 WeakPolarHBondContact O-CG 3.42Å; S94-E98 PolarHBondContact O-N 2.98Å |
| 95 | R | 89.9 | Confident | 88.1 | Confident | 28 Ų | 28 | 61.3 Ų | 61.3 | 11% | 0.106 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.4 | -41.7 | -177 | -168.9 | 65.9 | -173 | 132.3 | 1.5 | 112.5 | L61 D62 I65 I91 I92 E93 T97 E98 L99 | L61-R95 HydrophobicContact CD2-CB 4.36Å; L61-R95 HydrophobicContact CD2-CG 4.06Å; L61-R95 HydrophobicContact CG-CG 4.47Å; D62-R95 IonicContact OD1-CZ 2.97Å; D62-R95 IonicContact OD1-NE 3.33Å; D62-R95 PolarHBondContact OD1-NE 2.9Å; D62-R95 IonicContact OD1-NH2 2.82Å; D62-R95 PolarHBondContact OD1-NH2 2.78Å; D62-R95 IonicContact OD2-CZ 2.84Å; D62-R95 IonicContact OD2-NH2 3.2Å; D62-R95 PolarHBondContact OD2-NH2 3.46Å; I65-R95 HydrophobicContact CD1-CB 4.26Å; I65-R95 HydrophobicContact CD1-CG 3.97Å; I91-R95 VanDerWaalsContact O-CB 3.26Å; I91-R95 WeakPolarHBondContact O-CB 3.31Å; I91-R95 PolarHBondContact O-N 2.82Å; I92-R95 PolarHBondContact O-N 3.48Å; E93-R95 VanDerWaalsContact C-N 3.35Å; E93-R95 PolarHBondContact O-N 3.06Å; R95-T97 VanDerWaalsContact C-N 3.27Å; R95-T97 PolarHBondContact O-N 3.25Å; R95-E98 IonicContact CZ-OE2 3.64Å; R95-E98 IonicContact NH1-OE2 2.65Å; R95-E98 PolarHBondContact NH1-OE2 3.32Å; R95-E98 WeakPolarHBondContact O-CB 3.41Å; R95-E98 PolarHBondContact O-N 3.04Å; R95-L99 HydrophobicContact CG-CD1 4.45Å; R95-L99 HydrophobicContact CG-CG 4.49Å; R95-L99 WeakPolarHBondContact O-CB 3.33Å; R95-L99 WeakPolarHBondContact O-CG 3.15Å; R95-L99 PolarHBondContact O-N 3.42Å |
| 96 | V | 91.6 | Very high | 87.6 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 4% | 0.036 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.6 | -43 | 174.2 | 169.3 | 0 | 0 | 0 | 0 | 110.2 | I65 L78 L81 I92 E98 L99 I100 V119 | I65-V96 HydrophobicContact CD1-CG2 4.32Å; I65-V96 HydrophobicContact CG2-CG2 4.21Å; L78-V96 HydrophobicContact CD2-CB 4.42Å; L78-V96 HydrophobicContact CD2-CG1 4.26Å; L78-V96 HydrophobicContact CD2-CG2 4.14Å; L81-V96 HydrophobicContact CD2-CG2 3.96Å; I92-V96 HydrophobicContact CG2-CG2 4.14Å; I92-V96 WeakPolarHBondContact O-CB 3.4Å; I92-V96 VanDerWaalsContact O-CG2 3.27Å; I92-V96 WeakPolarHBondContact O-CG2 3.47Å; I92-V96 PolarHBondContact O-N 2.84Å; V96-E98 PolarHBondContact O-N 2.75Å; V96-L99 PolarHBondContact O-N 3.34Å; V96-I100 HydrophobicContact CG1-CD1 3.74Å; V96-I100 HydrophobicContact CG1-CG1 4.39Å; V96-I100 VanDerWaalsContact O-CG1 3.23Å; V96-I100 WeakPolarHBondContact O-CG1 3.38Å; V96-I100 PolarHBondContact O-N 3.15Å; V96-V119 HydrophobicContact CG1-CB 4.12Å; V96-V119 HydrophobicContact CG1-CG2 3.89Å |
| 97 | T | 90.4 | Very high | 87.1 | Confident | 74 Ų | 74 | 69.8 Ų | 69.8 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 176.7 | -54.8 | 0 | 0 | 0 | 0 | 112 | E93 S94 R95 I100 N101 | E93-T97 WeakPolarHBondContact O-CB 3.36Å; E93-T97 PolarHBondContact O-N 3.26Å; E93-T97 PolarHBondContact O-OG1 3.34Å; S94-T97 PolarHBondContact O-N 3.06Å; R95-T97 VanDerWaalsContact C-N 3.27Å; R95-T97 PolarHBondContact O-N 3.25Å; T97-I100 PolarHBondContact O-N 3.29Å; T97-N101 PolarHBondContact O-N 2.93Å; T97-N101 PolarHBondContact O-ND2 3.41Å |
| 98 | E | 90.4 | Very high | 86.9 | Confident | 94 Ų | 94 | 71.9 Ų | 71.9 | 44% | 0.439 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 173.6 | -72 | 179.9 | 174.2 | 0 | 0 | 112.2 | S94 R95 V96 I100 N101 L102 | S94-E98 WeakPolarHBondContact O-CG 3.42Å; S94-E98 PolarHBondContact O-N 2.98Å; R95-E98 IonicContact CZ-OE2 3.64Å; R95-E98 IonicContact NH1-OE2 2.65Å; R95-E98 PolarHBondContact NH1-OE2 3.32Å; R95-E98 WeakPolarHBondContact O-CB 3.41Å; R95-E98 PolarHBondContact O-N 3.04Å; V96-E98 PolarHBondContact O-N 2.75Å; E98-I100 PolarHBondContact O-N 3.42Å; E98-N101 PolarHBondContact O-N 3.01Å; E98-L102 WeakPolarHBondContact O-CG 3.43Å; E98-L102 PolarHBondContact O-N 3.09Å |
| 99 | L | 89.9 | Confident | 86.4 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 178.6 | -76.2 | 179.4 | 0 | 0 | 0 | 112.4 | D62 I65 R95 V96 N101 L102 D103 L112 | D62-L99 HydrophobicContact CB-CD2 4.29Å; D62-L99 WeakPolarHBondContact OD2-CD2 3.25Å; I65-L99 HydrophobicContact CB-CD1 4.37Å; I65-L99 HydrophobicContact CD1-CD1 4.07Å; I65-L99 HydrophobicContact CG2-CD1 4.09Å; R95-L99 HydrophobicContact CG-CD1 4.45Å; R95-L99 HydrophobicContact CG-CG 4.49Å; R95-L99 WeakPolarHBondContact O-CB 3.33Å; R95-L99 WeakPolarHBondContact O-CG 3.15Å; R95-L99 PolarHBondContact O-N 3.42Å; V96-L99 PolarHBondContact O-N 3.34Å; L99-N101 VanDerWaalsContact C-N 3.31Å; L99-N101 PolarHBondContact O-N 3.04Å; L99-L102 HydrophobicContact CD2-CD1 4.39Å; L99-L102 PolarHBondContact O-N 3.31Å; L99-D103 VanDerWaalsContact O-CB 3.3Å; L99-D103 WeakPolarHBondContact O-CB 3.27Å; L99-D103 PolarHBondContact O-N 3.23Å; L99-L112 HydrophobicContact CB-CD1 4.05Å; L99-L112 HydrophobicContact CD1-CD1 4.04Å |
| 100 | I | 89.7 | Confident | 86.1 | Confident | 30 Ų | 30 | 71.3 Ų | 71.3 | 15% | 0.154 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 176.5 | -68.8 | 167.2 | 0 | 0 | 0 | 110.9 | V96 T97 E98 D103 A104 L112 | V96-I100 HydrophobicContact CG1-CD1 3.74Å; V96-I100 HydrophobicContact CG1-CG1 4.39Å; V96-I100 VanDerWaalsContact O-CG1 3.23Å; V96-I100 WeakPolarHBondContact O-CG1 3.38Å; V96-I100 PolarHBondContact O-N 3.15Å; T97-I100 PolarHBondContact O-N 3.29Å; E98-I100 PolarHBondContact O-N 3.42Å; I100-D103 PolarHBondContact O-N 3.02Å; I100-A104 PolarHBondContact O-N 2.81Å; I100-L112 HydrophobicContact CG1-CB 3.75Å |
| 101 | N | 88.8 | Confident | 86 | Confident | 114 Ų | 114 | 69.9 Ų | 69.9 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.3 | -38.7 | 176.2 | -70.6 | -36.2 | 0 | 0 | 0 | 112.1 | T97 E98 L99 A104 | T97-N101 PolarHBondContact O-N 2.93Å; T97-N101 PolarHBondContact O-ND2 3.41Å; E98-N101 PolarHBondContact O-N 3.01Å; L99-N101 VanDerWaalsContact C-N 3.31Å; L99-N101 PolarHBondContact O-N 3.04Å; N101-A104 VanDerWaalsContact O-CB 3.24Å; N101-A104 WeakPolarHBondContact O-CB 3.48Å; N101-A104 PolarHBondContact O-N 3.47Å |
| 102 | L | 86.7 | Confident | 86.2 | Confident | 116 Ų | 116 | 66.9 Ų | 66.9 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.4 | -41.8 | 174.3 | -72.3 | 168 | 0 | 0 | 0 | 111.7 | E98 L99 A104 | E98-L102 WeakPolarHBondContact O-CG 3.43Å; E98-L102 PolarHBondContact O-N 3.09Å; L99-L102 HydrophobicContact CD2-CD1 4.39Å; L99-L102 PolarHBondContact O-N 3.31Å; L102-A104 PolarHBondContact O-N 2.79Å |
| 103 | D | 84.9 | Confident | 86.3 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 5% | 0.048 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -77.1 | -4.5 | 179.2 | -72.4 | -8.9 | 0 | 0 | 0 | 112.6 | R66 L99 I100 Q105 N106 R111 L112 | R66-D103 IonicContact NH2-OD1 3.28Å; R66-D103 PolarHBondContact NH2-OD1 2.79Å; R66-D103 VanDerWaalsContact NH2-OD1 3.16Å; R66-D103 IonicContact NH2-OD2 2.82Å; L99-D103 VanDerWaalsContact O-CB 3.3Å; L99-D103 WeakPolarHBondContact O-CB 3.27Å; L99-D103 PolarHBondContact O-N 3.23Å; I100-D103 PolarHBondContact O-N 3.02Å; D103-Q105 PolarHBondContact O-N 2.94Å; D103-Q105 VanDerWaalsContact O-N 3.1Å; D103-N106 PolarHBondContact O-N 3.13Å; D103-R111 HydrophobicContact CB-CB 4.38Å; D103-R111 HydrophobicContact CB-CG 3.98Å; D103-R111 VanDerWaalsContact O-CD 3.29Å; D103-R111 WeakPolarHBondContact O-CD 3.26Å; D103-R111 PolarHBondContact O-NE 2.97Å; D103-L112 PolarHBondContact OD2-N 3Å |
| 104 | A | 79.8 | Confident | 86.2 | Confident | 54 Ų | 54 | 68.2 Ų | 68.2 | 45% | 0.446 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -56.3 | -32.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I100 N101 L102 | I100-A104 PolarHBondContact O-N 2.81Å; N101-A104 VanDerWaalsContact O-CB 3.24Å; N101-A104 WeakPolarHBondContact O-CB 3.48Å; N101-A104 PolarHBondContact O-N 3.47Å; L102-A104 PolarHBondContact O-N 2.79Å |
| 105 | Q | 77.7 | Confident | 86.2 | Confident | 188 Ų | 188 | 65.1 Ų | 65.1 | 88% | 0.879 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -94.8 | -9.6 | 177.1 | -63.5 | -174.3 | 3.5 | 0 | 0 | 113.5 | D103 | D103-Q105 PolarHBondContact O-N 2.94Å; D103-Q105 VanDerWaalsContact O-N 3.1Å |
| 106 | N | 79.5 | Confident | 86 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | trans | -84.9 | 138.9 | -174.2 | -155 | -8.8 | 0 | 0 | 0 | 110.9 | D103 T108 R111 | D103-N106 PolarHBondContact O-N 3.13Å; N106-T108 PolarHBondContact ND2-OG1 3.21Å; N106-T108 VanDerWaalsContact OD1-CG2 3.26Å; N106-T108 WeakPolarHBondContact OD1-CG2 3.14Å; N106-R111 WeakPolarHBondContact O-CD 3.17Å | ||
| 107 | K | 77.2 | Confident | 85.7 | Confident | 207 Ų | 207 | 72.6 Ų | 72.6 | 90% | 0.9 | 40% | 0.401 | S | S | * | . | trans | -107.8 | 29.7 | 176.7 | -71.2 | -175.4 | 178.5 | -180 | 0 | 111.9 | ||||
| 108 | T | 82.7 | Confident | 85.8 | Confident | 50 Ų | 50 | 70.8 Ų | 70.8 | 31% | 0.307 | 39% | 0.388 | S | S | . | . | trans | -77.2 | 147.2 | 176.5 | 46.3 | 0 | 0 | 0 | 0 | 111.5 | N106 C110 R111 | N106-T108 PolarHBondContact ND2-OG1 3.21Å; N106-T108 VanDerWaalsContact OD1-CG2 3.26Å; N106-T108 WeakPolarHBondContact OD1-CG2 3.14Å; T108-C110 PolarHBondContact O-N 3.16Å; T108-R111 VanDerWaalsContact O-CB 3.26Å; T108-R111 WeakPolarHBondContact O-CB 3.09Å; T108-R111 PolarHBondContact O-N 2.95Å | ||
| 109 | P | 79.4 | Confident | 85.9 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 54% | 0.539 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.3 | 176 | 26.1 | -34.4 | 0 | 0 | 0 | 113 | R111 S122 S123 | P109-R111 VanDerWaalsContact C-N 3.29Å; P109-R111 PolarHBondContact O-N 2.96Å; P109-S122 PolarHBondContact O-N 2.98Å; P109-S123 PolarHBondContact O-N 3.17Å |
| 110 | C | 82.1 | Confident | 86.2 | Confident | 49 Ų | 49 | 66.3 Ų | 66.3 | 33% | 0.331 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.9 | 177.3 | -47.9 | 0 | 0 | 0 | 0 | 113.8 | T108 L112 | T108-C110 PolarHBondContact O-N 3.16Å; C110-L112 PolarHBondContact O-N 3.01Å |
| 111 | R | 88.1 | Confident | 86.3 | Confident | 73 Ų | 73 | 65.1 Ų | 65.1 | 28% | 0.275 | 36% | 0.361 | S | S | . | . | trans | -57.7 | 128.3 | 177.8 | 162.1 | 166.9 | -176.6 | -131.7 | 3.8 | 110.1 | D103 N106 T108 P109 N121 S122 | D103-R111 HydrophobicContact CB-CB 4.38Å; D103-R111 HydrophobicContact CB-CG 3.98Å; D103-R111 VanDerWaalsContact O-CD 3.29Å; D103-R111 WeakPolarHBondContact O-CD 3.26Å; D103-R111 PolarHBondContact O-NE 2.97Å; N106-R111 WeakPolarHBondContact O-CD 3.17Å; T108-R111 VanDerWaalsContact O-CB 3.26Å; T108-R111 WeakPolarHBondContact O-CB 3.09Å; T108-R111 PolarHBondContact O-N 2.95Å; P109-R111 VanDerWaalsContact C-N 3.29Å; P109-R111 PolarHBondContact O-N 2.96Å; R111-N121 CarbonylContact O-C 3.38Å; R111-N121 VanDerWaalsContact O-CA 3.25Å; R111-N121 WeakPolarHBondContact O-CA 3.23Å; R111-S122 PolarHBondContact O-N 3.16Å | ||
| 112 | L | 91.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 145.4 | 178.3 | -57.7 | -179.5 | 0 | 0 | 0 | 111.8 | I65 V69 L99 I100 D103 C110 V119 V120 N121 | I65-L112 HydrophobicContact CG2-CD1 4.06Å; V69-L112 HydrophobicContact CB-CD2 4.49Å; V69-L112 HydrophobicContact CG1-CD2 4.17Å; V69-L112 HydrophobicContact CG2-CD2 4.3Å; L99-L112 HydrophobicContact CB-CD1 4.05Å; L99-L112 HydrophobicContact CD1-CD1 4.04Å; I100-L112 HydrophobicContact CG1-CB 3.75Å; D103-L112 PolarHBondContact OD2-N 3Å; C110-L112 PolarHBondContact O-N 3.01Å; L112-V119 HydrophobicContact CB-CG2 4.04Å; L112-V119 HydrophobicContact CD1-CG2 4.38Å; L112-V119 HydrophobicContact CD2-CG2 4.06Å; L112-V119 HydrophobicContact CG-CG2 4.38Å; L112-V120 CarbonylContact C-O 3.45Å; L112-N121 HydrophobicContact CD2-CB 4.38Å |
| 113 | I | 91.4 | Very high | 86.7 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 16% | 0.164 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 133.7 | 179.3 | -58.9 | 167.9 | 0 | 0 | 0 | 107.4 | V120 V125 F157 | I113-V120 HydrophobicContact CB-CG2 3.94Å; I113-V120 HydrophobicContact CG2-CG2 4.34Å; I113-V120 PolarHBondContact N-O 2.77Å; I113-V120 PolarHBondContact O-N 3.41Å; I113-V125 HydrophobicContact CD1-CB 4.5Å; I113-V125 HydrophobicContact CD1-CG2 3.82Å; I113-F157 HydrophobicContact CG2-CE2 3.8Å; I113-F157 HydrophobicContact CG2-CZ 4.29Å |
| 114 | S | 89 | Confident | 87.1 | Confident | 81 Ų | 81 | 58.1 Ų | 58.1 | 57% | 0.566 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 136.8 | 180 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 115 | I | 89.4 | Confident | 87.7 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.036 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 154.5 | 162.5 | -63.9 | -177.6 | 0 | 0 | 0 | 106.1 | S117 E118 V120 L153 P154 F157 | I115-S117 PolarHBondContact O-N 3.46Å; I115-E118 CarbonylContact C-O 3.56Å; I115-E118 HydrophobicContact CB-CB 3.96Å; I115-E118 HydrophobicContact CG2-CB 4.12Å; I115-E118 PolarHBondContact N-O 2.95Å; I115-E118 PolarHBondContact O-N 3.11Å; I115-V120 HydrophobicContact CD1-CB 4.37Å; I115-V120 HydrophobicContact CD1-CG1 3.56Å; I115-V120 HydrophobicContact CD1-CG2 3.84Å; I115-V120 HydrophobicContact CG1-CG1 4.38Å; I115-V120 HydrophobicContact CG1-CG2 4.13Å; I115-L153 HydrophobicContact CD1-CD2 3.66Å; I115-P154 HydrophobicContact CG2-CG 4.21Å; I115-F157 HydrophobicContact CD1-CD1 3.92Å; I115-F157 HydrophobicContact CD1-CD2 4.35Å; I115-F157 HydrophobicContact CD1-CE1 3.64Å; I115-F157 HydrophobicContact CD1-CE2 4.13Å; I115-F157 HydrophobicContact CD1-CG 4.25Å; I115-F157 HydrophobicContact CD1-CZ 3.77Å; I115-F157 HydrophobicContact CG1-CD1 4.46Å; I115-F157 HydrophobicContact CG1-CD2 4.03Å; I115-F157 HydrophobicContact CG1-CE1 4.29Å; I115-F157 HydrophobicContact CG1-CE2 3.86Å; I115-F157 HydrophobicContact CG1-CG 4.32Å; I115-F157 HydrophobicContact CG1-CZ 4Å |
| 116 | P | 85.5 | Confident | 88.4 | Confident | 101 Ų | 101 | 53 Ų | 53 | 66% | 0.656 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 117 | 176 | -28.8 | 36.7 | 0 | 0 | 0 | 112 | E118 | P116-E118 PolarHBondContact O-N 3.41Å; P116-E118 VanDerWaalsContact O-N 3.16Å |
| 117 | S | 86.3 | Confident | 89.1 | Confident | 90 Ų | 90 | 54.4 Ų | 54.4 | 63% | 0.629 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 10.7 | -177 | -52.5 | 0 | 0 | 0 | 0 | 116.7 | L78 I115 | L78-S117 PolarHBondContact N-O 3.23Å; I115-S117 PolarHBondContact O-N 3.46Å |
| 118 | E | 92.3 | Very high | 89.9 | Confident | 36 Ų | 36 | 44.7 Ų | 44.7 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 153.4 | -177.3 | -73.1 | -178.9 | -164 | 0 | 0 | 111.1 | R75 T77 I115 P116 | R75-E118 IonicContact CZ-OE2 3.51Å; R75-E118 IonicContact NE-OE1 2.72Å; R75-E118 IonicContact NE-OE2 3.85Å; R75-E118 PolarHBondContact NE-OE2 3.4Å; R75-E118 IonicContact NH2-OE1 3.5Å; R75-E118 PolarHBondContact NH2-OE1 2.86Å; R75-E118 IonicContact NH2-OE2 2.82Å; R75-E118 PolarHBondContact NH2-OE2 2.68Å; T77-E118 HydrophobicContact CG2-CG 3.85Å; I115-E118 CarbonylContact C-O 3.56Å; I115-E118 HydrophobicContact CB-CB 3.96Å; I115-E118 HydrophobicContact CG2-CB 4.12Å; I115-E118 PolarHBondContact N-O 2.95Å; I115-E118 PolarHBondContact O-N 3.11Å; P116-E118 PolarHBondContact O-N 3.41Å; P116-E118 VanDerWaalsContact O-N 3.16Å |
| 119 | V | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.1 | 170.8 | 63.2 | 0 | 0 | 0 | 0 | 109.6 | V69 I76 L78 L81 V96 L112 | V69-V119 HydrophobicContact CG2-CG1 3.76Å; I76-V119 HydrophobicContact CG2-CG1 3.58Å; I76-V119 PolarHBondContact N-O 3.21Å; I76-V119 VanDerWaalsContact N-O 3.11Å; I76-V119 PolarHBondContact O-N 3.07Å; L78-V119 HydrophobicContact CD2-CB 4.37Å; L78-V119 HydrophobicContact CD2-CG1 4.31Å; L81-V119 HydrophobicContact CD2-CG1 4.16Å; V96-V119 HydrophobicContact CG1-CB 4.12Å; V96-V119 HydrophobicContact CG1-CG2 3.89Å; L112-V119 HydrophobicContact CB-CG2 4.04Å; L112-V119 HydrophobicContact CD1-CG2 4.38Å; L112-V119 HydrophobicContact CD2-CG2 4.06Å; L112-V119 HydrophobicContact CG-CG2 4.38Å |
| 120 | V | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 151.2 | 175.1 | -60.1 | 0 | 0 | 0 | 0 | 110.7 | G74 R75 L112 I113 I115 Y124 V125 F157 | G74-V120 CarbonylContact O-C 3.6Å; G74-V120 WeakPolarHBondContact O-CA 3.5Å; R75-V120 HydrophobicContact CB-CG1 3.83Å; R75-V120 HydrophobicContact CG-CG1 3.74Å; L112-V120 CarbonylContact C-O 3.45Å; I113-V120 HydrophobicContact CB-CG2 3.94Å; I113-V120 HydrophobicContact CG2-CG2 4.34Å; I113-V120 PolarHBondContact N-O 2.77Å; I113-V120 PolarHBondContact O-N 3.41Å; I115-V120 HydrophobicContact CD1-CB 4.37Å; I115-V120 HydrophobicContact CD1-CG1 3.56Å; I115-V120 HydrophobicContact CD1-CG2 3.84Å; I115-V120 HydrophobicContact CG1-CG1 4.38Å; I115-V120 HydrophobicContact CG1-CG2 4.13Å; V120-Y124 HydrophobicContact CB-CD1 3.9Å; V120-Y124 HydrophobicContact CG1-CD1 3.85Å; V120-Y124 HydrophobicContact CG1-CE1 4.06Å; V120-V125 HydrophobicContact CG2-CG2 4Å; V120-F157 HydrophobicContact CG2-CZ 3.84Å |
| 121 | N | 92.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 160.7 | 172.5 | 70.1 | 17.1 | 0 | 0 | 0 | 112.2 | V69 G74 R111 L112 S123 Y124 V125 | V69-N121 HydrophobicContact CG1-CB 4.06Å; G74-N121 WeakPolarHBondContact CA-ND2 3.43Å; G74-N121 WeakPolarHBondContact CA-OD1 3.44Å; G74-N121 PolarHBondContact O-N 2.93Å; R111-N121 CarbonylContact O-C 3.38Å; R111-N121 VanDerWaalsContact O-CA 3.25Å; R111-N121 WeakPolarHBondContact O-CA 3.23Å; L112-N121 HydrophobicContact CD2-CB 4.38Å; N121-S123 VanDerWaalsContact CG-OG 3.29Å; N121-S123 PolarHBondContact ND2-OG 3.44Å; N121-S123 PolarHBondContact O-N 3.18Å; N121-S123 PolarHBondContact OD1-N 2.92Å; N121-S123 PolarHBondContact OD1-OG 3.33Å; N121-Y124 WeakPolarHBondContact O-CB 3.43Å; N121-Y124 PolarHBondContact O-N 2.64Å; N121-Y124 WeakPolarHBondContact OD1-CB 3.49Å; N121-Y124 PolarHBondContact OD1-N 3.49Å; N121-V125 PolarHBondContact O-N 3.17Å |
| 122 | S | 91.7 | Very high | 92.1 | Very high | 28 Ų | 28 | 39.5 Ų | 39.5 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.1 | -30.5 | 178.4 | -178.9 | 0 | 0 | 0 | 0 | 112.3 | P109 R111 Y124 V125 R126 | P109-S122 PolarHBondContact O-N 2.98Å; R111-S122 PolarHBondContact O-N 3.16Å; S122-Y124 PolarHBondContact O-N 2.71Å; S122-V125 PolarHBondContact O-N 2.89Å; S122-R126 WeakPolarHBondContact O-CB 3.4Å; S122-R126 PolarHBondContact O-N 3.06Å |
| 123 | S | 91 | Very high | 92.1 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 21% | 0.21 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 174.5 | 88.8 | 0 | 0 | 0 | 0 | 112.9 | P109 N121 R126 R127 | P109-S123 PolarHBondContact O-N 3.17Å; N121-S123 VanDerWaalsContact CG-OG 3.29Å; N121-S123 PolarHBondContact ND2-OG 3.44Å; N121-S123 PolarHBondContact O-N 3.18Å; N121-S123 PolarHBondContact OD1-N 2.92Å; N121-S123 PolarHBondContact OD1-OG 3.33Å; S123-R126 PolarHBondContact O-N 3.3Å; S123-R127 WeakPolarHBondContact O-CG 3.42Å; S123-R127 PolarHBondContact O-N 3.34Å; S123-R127 PolarHBondContact O-NH1 3.01Å; S123-R127 PolarHBondContact OG-NH1 2.84Å |
| 124 | Y | 94.2 | Very high | 92.2 | Very high | 35 Ų | 35 | 44 Ų | 44 | 14% | 0.137 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.6 | -47.8 | 176.3 | 175.4 | -96.1 | 0 | 0 | 0 | 110.7 | G74 R75 V120 N121 S122 R126 R127 V128 L153 | G74-Y124 WeakPolarHBondContact O-CB 3.44Å; R75-Y124 HydrophobicContact CB-CD1 4.45Å; R75-Y124 HydrophobicContact CB-CD2 4.06Å; R75-Y124 HydrophobicContact CB-CE1 4.35Å; R75-Y124 HydrophobicContact CB-CE2 3.98Å; R75-Y124 HydrophobicContact CB-CG 4.31Å; R75-Y124 WeakPolarHBondContact CD-OH 3.27Å; R75-Y124 PolarHBondContact NH1-OH 3.49Å; V120-Y124 HydrophobicContact CB-CD1 3.9Å; V120-Y124 HydrophobicContact CG1-CD1 3.85Å; V120-Y124 HydrophobicContact CG1-CE1 4.06Å; N121-Y124 WeakPolarHBondContact O-CB 3.43Å; N121-Y124 PolarHBondContact O-N 2.64Å; N121-Y124 WeakPolarHBondContact OD1-CB 3.49Å; N121-Y124 PolarHBondContact OD1-N 3.49Å; S122-Y124 PolarHBondContact O-N 2.71Å; Y124-R126 VanDerWaalsContact C-N 3.27Å; Y124-R126 PolarHBondContact O-N 3.36Å; Y124-R127 WeakPolarHBondContact O-CB 3.39Å; Y124-R127 PolarHBondContact O-N 3.27Å; Y124-V128 HydrophobicContact CD1-CG2 4.15Å; Y124-V128 HydrophobicContact CE1-CG2 3.7Å; Y124-V128 HydrophobicContact CE2-CG2 4.15Å; Y124-V128 WeakPolarHBondContact O-CG2 3.32Å; Y124-V128 PolarHBondContact O-N 3.34Å; Y124-L153 HydrophobicContact CE1-CD1 4.4Å |
| 125 | V | 93.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.2 | -43 | 176.2 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | I113 V120 N121 S122 V128 A129 F157 I161 Y165 | I113-V125 HydrophobicContact CD1-CB 4.5Å; I113-V125 HydrophobicContact CD1-CG2 3.82Å; V120-V125 HydrophobicContact CG2-CG2 4Å; N121-V125 PolarHBondContact O-N 3.17Å; S122-V125 PolarHBondContact O-N 2.89Å; V125-V128 PolarHBondContact O-N 2.87Å; V125-A129 WeakPolarHBondContact O-CB 3.4Å; V125-A129 PolarHBondContact O-N 3.37Å; V125-F157 HydrophobicContact CG2-CE1 4.22Å; V125-F157 HydrophobicContact CG2-CZ 3.72Å; V125-I161 HydrophobicContact CG1-CD1 4.16Å; V125-I161 HydrophobicContact CG1-CG1 3.93Å; V125-Y165 HydrophobicContact CG1-CE2 4.01Å |
| 126 | R | 92 | Very high | 92.4 | Very high | 131 Ų | 131 | 43.8 Ų | 43.8 | 49% | 0.494 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 175.4 | -175.7 | 178 | 177.5 | 80.9 | 5.9 | 112.1 | S122 S123 Y124 A129 H130 | S122-R126 WeakPolarHBondContact O-CB 3.4Å; S122-R126 PolarHBondContact O-N 3.06Å; S123-R126 PolarHBondContact O-N 3.3Å; Y124-R126 VanDerWaalsContact C-N 3.27Å; Y124-R126 PolarHBondContact O-N 3.36Å; R126-A129 WeakPolarHBondContact O-CB 3.45Å; R126-A129 PolarHBondContact O-N 3.28Å; R126-H130 PolarHBondContact O-N 3.29Å; R126-H130 PolarHBondContact O-ND1 3.45Å |
| 127 | R | 94 | Very high | 92.5 | Very high | 100 Ų | 100 | 45.2 Ų | 45.2 | 38% | 0.377 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.6 | -49.4 | 176.1 | -77 | -168.8 | -60.6 | -76.6 | -1.3 | 111.3 | S73 S123 Y124 A129 H130 E131 | S73-R127 PolarHBondContact O-NH2 3.06Å; S123-R127 WeakPolarHBondContact O-CG 3.42Å; S123-R127 PolarHBondContact O-N 3.34Å; S123-R127 PolarHBondContact O-NH1 3.01Å; S123-R127 PolarHBondContact OG-NH1 2.84Å; Y124-R127 WeakPolarHBondContact O-CB 3.39Å; Y124-R127 PolarHBondContact O-N 3.27Å; R127-A129 PolarHBondContact O-N 2.89Å; R127-H130 PolarHBondContact O-N 2.97Å; R127-E131 PolarHBondContact O-N 2.68Å |
| 128 | V | 94.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.1 | -41.6 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | Y124 V125 H130 E131 I132 F151 L153 I161 | Y124-V128 HydrophobicContact CD1-CG2 4.15Å; Y124-V128 HydrophobicContact CE1-CG2 3.7Å; Y124-V128 HydrophobicContact CE2-CG2 4.15Å; Y124-V128 WeakPolarHBondContact O-CG2 3.32Å; Y124-V128 PolarHBondContact O-N 3.34Å; V125-V128 PolarHBondContact O-N 2.87Å; V128-H130 VanDerWaalsContact C-N 3.34Å; V128-H130 PolarHBondContact O-N 3.07Å; V128-E131 PolarHBondContact O-N 3.36Å; V128-I132 HydrophobicContact CG1-CD1 3.87Å; V128-I132 HydrophobicContact CG1-CG1 4.34Å; V128-I132 VanDerWaalsContact O-CG1 3.24Å; V128-I132 WeakPolarHBondContact O-CG1 3.41Å; V128-I132 PolarHBondContact O-N 2.91Å; V128-F151 HydrophobicContact CG1-CD1 3.98Å; V128-F151 HydrophobicContact CG1-CD2 4.29Å; V128-F151 HydrophobicContact CG1-CE1 4.06Å; V128-F151 HydrophobicContact CG1-CE2 4.4Å; V128-F151 HydrophobicContact CG1-CG 4.09Å; V128-F151 HydrophobicContact CG1-CZ 4.28Å; V128-F151 HydrophobicContact CG2-CD1 4.3Å; V128-L153 HydrophobicContact CG1-CD1 4.26Å; V128-I161 HydrophobicContact CG1-CD1 4.06Å |
| 129 | A | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.9 | -37.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V125 R126 R127 L133 I161 Y165 L169 F170 | V125-A129 WeakPolarHBondContact O-CB 3.4Å; V125-A129 PolarHBondContact O-N 3.37Å; R126-A129 WeakPolarHBondContact O-CB 3.45Å; R126-A129 PolarHBondContact O-N 3.28Å; R127-A129 PolarHBondContact O-N 2.89Å; A129-L133 PolarHBondContact O-N 3.07Å; A129-I161 HydrophobicContact CB-CG2 3.97Å; A129-Y165 HydrophobicContact CB-CD2 3.57Å; A129-Y165 HydrophobicContact CB-CE2 3.68Å; A129-Y165 HydrophobicContact CB-CG 4.03Å; A129-L169 HydrophobicContact CB-CD1 4.05Å; A129-F170 HydrophobicContact CB-CZ 4.07Å; A129-F170 WeakPolarHBondContact O-CE1 3.3Å; A129-F170 WeakPolarHBondContact O-CZ 3.25Å |
| 130 | H | 94.2 | Very high | 92.2 | Very high | 62 Ų | 62 | 52 Ų | 52 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71.1 | -38.9 | 174.5 | -70.2 | 69.1 | 0 | 0 | 0 | 111.5 | R126 R127 V128 I132 L133 D134 | R126-H130 PolarHBondContact O-N 3.29Å; R126-H130 PolarHBondContact O-ND1 3.45Å; R127-H130 PolarHBondContact O-N 2.97Å; V128-H130 VanDerWaalsContact C-N 3.34Å; V128-H130 PolarHBondContact O-N 3.07Å; H130-I132 VanDerWaalsContact C-N 3.29Å; H130-I132 PolarHBondContact O-N 3Å; H130-L133 WeakPolarHBondContact O-CA 3.5Å; H130-L133 WeakPolarHBondContact O-CB 3.49Å; H130-L133 PolarHBondContact O-N 3.29Å; H130-D134 PolarHBondContact O-N 3.16Å |
| 131 | E | 94.7 | Very high | 91.9 | Very high | 85 Ų | 85 | 54.7 Ų | 54.7 | 40% | 0.397 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.6 | -32.4 | 175 | -69.2 | -178.8 | -140 | 0 | 0 | 112.7 | R127 V128 R135 F151 | R127-E131 PolarHBondContact O-N 2.68Å; V128-E131 PolarHBondContact O-N 3.36Å; E131-R135 WeakPolarHBondContact O-CB 3.37Å; E131-R135 WeakPolarHBondContact O-CG 3.47Å; E131-R135 PolarHBondContact O-N 2.9Å; E131-R135 VanDerWaalsContact O-N 3.12Å; E131-F151 HydrophobicContact CB-CE1 3.91Å; E131-F151 HydrophobicContact CB-CZ 3.83Å; E131-F151 WeakPolarHBondContact OE2-CE1 3.46Å |
| 132 | I | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 170.2 | -69.2 | 167.5 | 0 | 0 | 0 | 110 | V128 H130 R135 L136 L147 F151 I161 M162 F170 | V128-I132 HydrophobicContact CG1-CD1 3.87Å; V128-I132 HydrophobicContact CG1-CG1 4.34Å; V128-I132 VanDerWaalsContact O-CG1 3.24Å; V128-I132 WeakPolarHBondContact O-CG1 3.41Å; V128-I132 PolarHBondContact O-N 2.91Å; H130-I132 VanDerWaalsContact C-N 3.29Å; H130-I132 PolarHBondContact O-N 3Å; I132-R135 PolarHBondContact O-N 2.75Å; I132-L136 HydrophobicContact CG2-CD1 3.86Å; I132-L136 HydrophobicContact CG2-CG 4.36Å; I132-L136 WeakPolarHBondContact O-CB 3.5Å; I132-L136 VanDerWaalsContact O-CG 3.3Å; I132-L136 WeakPolarHBondContact O-CG 3.15Å; I132-L136 PolarHBondContact O-N 3.21Å; I132-L147 HydrophobicContact CD1-CD1 4.31Å; I132-L147 HydrophobicContact CG1-CD1 4.26Å; I132-L147 HydrophobicContact CG1-CD2 4.28Å; I132-L147 HydrophobicContact CG2-CD1 4.09Å; I132-F151 HydrophobicContact CD1-CE2 4.24Å; I132-F151 HydrophobicContact CG1-CD2 4.38Å; I132-F151 HydrophobicContact CG1-CE2 3.5Å; I132-F151 HydrophobicContact CG1-CZ 3.86Å; I132-I161 HydrophobicContact CD1-CG2 4.1Å; I132-M162 HydrophobicContact CG2-CE 3.72Å; I132-M162 HydrophobicContact CG2-SD 3.98Å; I132-F170 HydrophobicContact CB-CE1 4.04Å; I132-F170 HydrophobicContact CB-CZ 3.92Å; I132-F170 HydrophobicContact CG2-CE1 3.71Å; I132-F170 HydrophobicContact CG2-CE2 4.49Å; I132-F170 HydrophobicContact CG2-CZ 3.68Å |
| 133 | L | 92.1 | Very high | 91.9 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -50.3 | 176.5 | 178.3 | 63.9 | 0 | 0 | 0 | 110.9 | A129 H130 R135 L136 E137 F170 | A129-L133 PolarHBondContact O-N 3.07Å; H130-L133 WeakPolarHBondContact O-CA 3.5Å; H130-L133 WeakPolarHBondContact O-CB 3.49Å; H130-L133 PolarHBondContact O-N 3.29Å; L133-R135 VanDerWaalsContact C-N 3.25Å; L133-R135 PolarHBondContact O-N 3.06Å; L133-L136 CarbonylContact O-C 3.52Å; L133-L136 WeakPolarHBondContact O-CB 3.44Å; L133-L136 PolarHBondContact O-N 2.71Å; L133-E137 HydrophobicContact CD1-CG 4.16Å; L133-E137 HydrophobicContact CG-CG 4.42Å; L133-E137 WeakPolarHBondContact O-CG 3.47Å; L133-E137 PolarHBondContact O-N 3.38Å; L133-F170 HydrophobicContact CB-CD1 4.33Å; L133-F170 HydrophobicContact CB-CE1 3.98Å; L133-F170 HydrophobicContact CD1-CD1 4.34Å |
| 134 | D | 93.4 | Very high | 92.1 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56 | -43.4 | 178.6 | -66.8 | -19.7 | 0 | 0 | 0 | 110.9 | H130 E137 E138 | H130-D134 PolarHBondContact O-N 3.16Å; D134-E137 PolarHBondContact O-N 3.04Å; D134-E138 WeakPolarHBondContact O-CB 3.33Å; D134-E138 PolarHBondContact O-N 2.85Å |
| 135 | R | 91.4 | Very high | 92 | Very high | 83 Ų | 83 | 54.1 Ų | 54.1 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 175.7 | -81 | -171.9 | 161.8 | 84.5 | 1.3 | 113.2 | E131 I132 L133 E137 E138 H139 | E131-R135 WeakPolarHBondContact O-CB 3.37Å; E131-R135 WeakPolarHBondContact O-CG 3.47Å; E131-R135 PolarHBondContact O-N 2.9Å; E131-R135 VanDerWaalsContact O-N 3.12Å; I132-R135 PolarHBondContact O-N 2.75Å; L133-R135 VanDerWaalsContact C-N 3.25Å; L133-R135 PolarHBondContact O-N 3.06Å; R135-E137 VanDerWaalsContact C-N 3.31Å; R135-E138 PolarHBondContact O-N 2.95Å; R135-H139 WeakPolarHBondContact O-CB 3.49Å; R135-H139 PolarHBondContact O-N 2.94Å; R135-H139 PolarHBondContact O-ND1 3.39Å |
| 136 | L | 90.6 | Very high | 92 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -39.8 | 176.2 | -81.1 | 167.8 | 0 | 0 | 0 | 111.3 | I132 L133 G140 T142 M162 F170 V172 T181 | I132-L136 HydrophobicContact CG2-CD1 3.86Å; I132-L136 HydrophobicContact CG2-CG 4.36Å; I132-L136 WeakPolarHBondContact O-CB 3.5Å; I132-L136 VanDerWaalsContact O-CG 3.3Å; I132-L136 WeakPolarHBondContact O-CG 3.15Å; I132-L136 PolarHBondContact O-N 3.21Å; L133-L136 CarbonylContact O-C 3.52Å; L133-L136 WeakPolarHBondContact O-CB 3.44Å; L133-L136 PolarHBondContact O-N 2.71Å; L136-G140 WeakPolarHBondContact O-CA 3.23Å; L136-G140 PolarHBondContact O-N 2.97Å; L136-T142 HydrophobicContact CD2-CG2 3.59Å; L136-T142 HydrophobicContact CG-CG2 4.18Å; L136-M162 HydrophobicContact CD1-CE 4.42Å; L136-F170 HydrophobicContact CD1-CD1 3.88Å; L136-F170 HydrophobicContact CD1-CE1 4.27Å; L136-F170 HydrophobicContact CD1-CG 4.48Å; L136-V172 HydrophobicContact CD1-CG2 3.72Å; L136-V172 HydrophobicContact CD2-CG1 4.07Å; L136-V172 HydrophobicContact CD2-CG2 4.45Å; L136-T181 HydrophobicContact CB-CG2 3.83Å; L136-T181 HydrophobicContact CD2-CG2 4.22Å; L136-T181 VanDerWaalsContact O-CG2 3.24Å; L136-T181 WeakPolarHBondContact O-CG2 3.27Å |
| 137 | E | 88.5 | Confident | 92.1 | Very high | 131 Ų | 131 | 51.5 Ų | 51.5 | 61% | 0.612 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -68.9 | -39.5 | 177 | -71.1 | -174.3 | 175.6 | 0 | 0 | 112 | L133 D134 R135 | L133-E137 HydrophobicContact CD1-CG 4.16Å; L133-E137 HydrophobicContact CG-CG 4.42Å; L133-E137 WeakPolarHBondContact O-CG 3.47Å; L133-E137 PolarHBondContact O-N 3.38Å; D134-E137 PolarHBondContact O-N 3.04Å; R135-E137 VanDerWaalsContact C-N 3.31Å |
| 138 | E | 90.1 | Very high | 92.1 | Very high | 151 Ų | 151 | 48.2 Ų | 48.2 | 71% | 0.706 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -71.1 | -49.7 | 178.6 | -174.8 | -175.4 | -168.4 | 0 | 0 | 112.7 | D134 R135 | D134-E138 WeakPolarHBondContact O-CB 3.33Å; D134-E138 PolarHBondContact O-N 2.85Å; R135-E138 PolarHBondContact O-N 2.95Å |
| 139 | H | 88.9 | Confident | 92.1 | Very high | 112 Ų | 112 | 54.8 Ų | 54.8 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -94.1 | -20.6 | -172.3 | -65.6 | 74 | 0 | 0 | 0 | 113.1 | R135 Q141 | R135-H139 WeakPolarHBondContact O-CB 3.49Å; R135-H139 PolarHBondContact O-N 2.94Å; R135-H139 PolarHBondContact O-ND1 3.39Å; H139-Q141 PolarHBondContact O-N 3.43Å |
| 140 | G | 86.7 | Confident | 92.1 | Very high | 5 Ų | 5 | 58.6 Ų | 58.6 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 75.6 | -21.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L136 T181 F184 | L136-G140 WeakPolarHBondContact O-CA 3.23Å; L136-G140 PolarHBondContact O-N 2.97Å; G140-T181 PolarHBondContact O-N 3.01Å; G140-T181 PolarHBondContact O-OG1 3.29Å; G140-F184 WeakPolarHBondContact O-CB 3.43Å |
| 141 | Q | 88.2 | Confident | 92 | Very high | 57 Ų | 57 | 56.5 Ų | 56.5 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 151.6 | 177 | 64.8 | 176 | -17.5 | 0 | 0 | 112.1 | H139 Y179 F180 | H139-Q141 PolarHBondContact O-N 3.43Å; Q141-Y179 CarbonylContact C-O 3.44Å; Q141-Y179 WeakPolarHBondContact CA-O 3.38Å; Q141-F180 HydrophobicContact CB-CD1 3.71Å; Q141-F180 HydrophobicContact CB-CE1 3.9Å; Q141-F180 HydrophobicContact CB-CG 4.43Å |
| 142 | T | 92 | Very high | 91.9 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 5% | 0.049 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 165.3 | 169.6 | -166.5 | 0 | 0 | 0 | 0 | 111.6 | L136 E146 L147 M162 K178 Y179 | L136-T142 HydrophobicContact CD2-CG2 3.59Å; L136-T142 HydrophobicContact CG-CG2 4.18Å; T142-E146 WeakPolarHBondContact CA-OE2 3.46Å; T142-E146 PolarHBondContact OG1-OE2 3.39Å; T142-L147 HydrophobicContact CG2-CD1 3.91Å; T142-L147 HydrophobicContact CG2-CD2 4.13Å; T142-L147 HydrophobicContact CG2-CG 4.13Å; T142-M162 HydrophobicContact CG2-CE 4.21Å; T142-K178 WeakPolarHBondContact O-CA 3.14Å; T142-Y179 PolarHBondContact N-O 3Å; T142-Y179 PolarHBondContact O-N 3.13Å |
| 143 | S | 92.8 | Very high | 91.8 | Very high | 18 Ų | 18 | 58.4 Ų | 58.4 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 155.5 | 171.9 | 66.7 | 0 | 0 | 0 | 0 | 112 | G145 E146 L147 E177 | S143-G145 PolarHBondContact O-N 2.96Å; S143-E146 PolarHBondContact N-OE2 3.48Å; S143-E146 VanDerWaalsContact N-OE2 3.12Å; S143-E146 PolarHBondContact O-N 3.09Å; S143-E146 VanDerWaalsContact O-N 3.16Å; S143-E146 VanDerWaalsContact OG-CG 3.25Å; S143-E146 WeakPolarHBondContact OG-CG 3.42Å; S143-E146 PolarHBondContact OG-N 2.95Å; S143-E146 PolarHBondContact OG-OE1 3.41Å; S143-L147 WeakPolarHBondContact O-CG 3.27Å; S143-L147 PolarHBondContact O-N 3.24Å; S143-L147 VanDerWaalsContact O-N 3.16Å; S143-E177 VanDerWaalsContact CB-O 3.3Å; S143-E177 WeakPolarHBondContact CB-O 3.36Å |
| 144 | I | 93.3 | Very high | 91.9 | Very high | 20 Ų | 20 | 59.1 Ų | 59.1 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.9 | -35.8 | 174.8 | -71.5 | 155.7 | 0 | 0 | 0 | 110.7 | L147 T148 T155 I158 S159 Y179 | I144-L147 PolarHBondContact O-N 3.32Å; I144-T148 WeakPolarHBondContact O-CB 3.28Å; I144-T148 PolarHBondContact O-N 2.92Å; I144-T148 PolarHBondContact O-OG1 3.06Å; I144-T155 HydrophobicContact CG2-CG2 4.16Å; I144-I158 HydrophobicContact CG1-CG2 4.37Å; I144-I158 HydrophobicContact CG2-CB 4.29Å; I144-I158 HydrophobicContact CG2-CG2 4.09Å; I144-S159 WeakPolarHBondContact CD1-OG 3.4Å; I144-Y179 HydrophobicContact CD1-CE2 3.68Å; I144-Y179 HydrophobicContact CG1-CE2 3.72Å |
| 145 | G | 92.2 | Very high | 91.8 | Very high | 39 Ų | 39 | 57.9 Ų | 57.9 | 40% | 0.402 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S143 T148 I149 | S143-G145 PolarHBondContact O-N 2.96Å; G145-T148 WeakPolarHBondContact O-CB 3.24Å; G145-T148 PolarHBondContact O-N 2.86Å; G145-I149 WeakPolarHBondContact O-CG1 3.38Å; G145-I149 PolarHBondContact O-N 3.04Å |
| 146 | E | 93.6 | Very high | 91.8 | Very high | 79 Ų | 79 | 59.1 Ų | 59.1 | 37% | 0.369 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 174.7 | -73.3 | 154.5 | -147.2 | 0 | 0 | 111.4 | T142 S143 T148 I149 I150 | T142-E146 WeakPolarHBondContact CA-OE2 3.46Å; T142-E146 PolarHBondContact OG1-OE2 3.39Å; S143-E146 PolarHBondContact N-OE2 3.48Å; S143-E146 VanDerWaalsContact N-OE2 3.12Å; S143-E146 PolarHBondContact O-N 3.09Å; S143-E146 VanDerWaalsContact O-N 3.16Å; S143-E146 VanDerWaalsContact OG-CG 3.25Å; S143-E146 WeakPolarHBondContact OG-CG 3.42Å; S143-E146 PolarHBondContact OG-N 2.95Å; S143-E146 PolarHBondContact OG-OE1 3.41Å; E146-T148 VanDerWaalsContact C-N 3.32Å; E146-T148 PolarHBondContact O-N 2.85Å; E146-I149 PolarHBondContact O-N 3.12Å; E146-I150 WeakPolarHBondContact O-CD1 3.22Å; E146-I150 VanDerWaalsContact O-CG1 3.27Å; E146-I150 WeakPolarHBondContact O-CG1 3.36Å; E146-I150 PolarHBondContact O-N 3.39Å |
| 147 | L | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.4 | -36.6 | -180 | -60.1 | 178.5 | 0 | 0 | 0 | 112.2 | I132 T142 S143 I144 I149 I150 F151 I158 M162 | I132-L147 HydrophobicContact CD1-CD1 4.31Å; I132-L147 HydrophobicContact CG1-CD1 4.26Å; I132-L147 HydrophobicContact CG1-CD2 4.28Å; I132-L147 HydrophobicContact CG2-CD1 4.09Å; T142-L147 HydrophobicContact CG2-CD1 3.91Å; T142-L147 HydrophobicContact CG2-CD2 4.13Å; T142-L147 HydrophobicContact CG2-CG 4.13Å; S143-L147 WeakPolarHBondContact O-CG 3.27Å; S143-L147 PolarHBondContact O-N 3.24Å; S143-L147 VanDerWaalsContact O-N 3.16Å; I144-L147 PolarHBondContact O-N 3.32Å; L147-I149 VanDerWaalsContact C-N 3.29Å; L147-I149 PolarHBondContact O-N 3.38Å; L147-I150 PolarHBondContact O-N 3.41Å; L147-F151 HydrophobicContact CB-CD2 4.22Å; L147-F151 HydrophobicContact CB-CE2 4.47Å; L147-F151 HydrophobicContact CD2-CE2 3.97Å; L147-F151 VanDerWaalsContact O-CD2 3.27Å; L147-F151 WeakPolarHBondContact O-CD2 3.33Å; L147-F151 PolarHBondContact O-N 3.11Å; L147-I158 HydrophobicContact CB-CD1 4.49Å; L147-I158 HydrophobicContact CB-CG2 3.84Å; L147-I158 HydrophobicContact CD1-CG2 3.91Å; L147-M162 HydrophobicContact CD1-CE 3.43Å; L147-M162 VanDerWaalsContact CD1-CE 3.43Å |
| 148 | T | 94.1 | Very high | 92.3 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.2 | -44.4 | 174.6 | -62.7 | 0 | 0 | 0 | 0 | 110.7 | I144 G145 E146 N152 L153 T155 | I144-T148 WeakPolarHBondContact O-CB 3.28Å; I144-T148 PolarHBondContact O-N 2.92Å; I144-T148 PolarHBondContact O-OG1 3.06Å; G145-T148 WeakPolarHBondContact O-CB 3.24Å; G145-T148 PolarHBondContact O-N 2.86Å; E146-T148 VanDerWaalsContact C-N 3.32Å; E146-T148 PolarHBondContact O-N 2.85Å; T148-N152 VanDerWaalsContact O-CA 3.23Å; T148-N152 WeakPolarHBondContact O-CA 3.47Å; T148-N152 PolarHBondContact O-N 2.68Å; T148-L153 WeakPolarHBondContact CA-O 3.42Å; T148-L153 WeakPolarHBondContact CG2-O 3.31Å; T148-L153 PolarHBondContact O-N 3.23Å; T148-T155 HydrophobicContact CG2-CG2 3.88Å; T148-T155 VanDerWaalsContact OG1-CG2 3.31Å; T148-T155 WeakPolarHBondContact OG1-CG2 3.33Å |
| 149 | I | 94.4 | Very high | 92.3 | Very high | 139 Ų | 139 | 48.6 Ų | 48.6 | 71% | 0.713 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -69.8 | -44 | 179.3 | -64.5 | 165 | 0 | 0 | 0 | 110.9 | G145 E146 L147 | G145-I149 WeakPolarHBondContact O-CG1 3.38Å; G145-I149 PolarHBondContact O-N 3.04Å; E146-I149 PolarHBondContact O-N 3.12Å; L147-I149 VanDerWaalsContact C-N 3.29Å; L147-I149 PolarHBondContact O-N 3.38Å |
| 150 | I | 93.2 | Very high | 92.4 | Very high | 80 Ų | 80 | 45.7 Ų | 45.7 | 41% | 0.41 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.4 | -46.7 | -175.8 | -69.3 | 164.5 | 0 | 0 | 0 | 111.6 | E146 L147 | E146-I150 WeakPolarHBondContact O-CD1 3.22Å; E146-I150 VanDerWaalsContact O-CG1 3.27Å; E146-I150 WeakPolarHBondContact O-CG1 3.36Å; E146-I150 PolarHBondContact O-N 3.39Å; L147-I150 PolarHBondContact O-N 3.41Å |
| 151 | F | 92.4 | Very high | 92.7 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -91.2 | -6.9 | -176.4 | -64.4 | -71.5 | 0 | 0 | 0 | 113.3 | R75 V128 E131 I132 L147 L153 I158 | R75-F151 PolarHBondContact NH1-O 3.11Å; V128-F151 HydrophobicContact CG1-CD1 3.98Å; V128-F151 HydrophobicContact CG1-CD2 4.29Å; V128-F151 HydrophobicContact CG1-CE1 4.06Å; V128-F151 HydrophobicContact CG1-CE2 4.4Å; V128-F151 HydrophobicContact CG1-CG 4.09Å; V128-F151 HydrophobicContact CG1-CZ 4.28Å; V128-F151 HydrophobicContact CG2-CD1 4.3Å; E131-F151 HydrophobicContact CB-CE1 3.91Å; E131-F151 HydrophobicContact CB-CZ 3.83Å; E131-F151 WeakPolarHBondContact OE2-CE1 3.46Å; I132-F151 HydrophobicContact CD1-CE2 4.24Å; I132-F151 HydrophobicContact CG1-CD2 4.38Å; I132-F151 HydrophobicContact CG1-CE2 3.5Å; I132-F151 HydrophobicContact CG1-CZ 3.86Å; L147-F151 HydrophobicContact CB-CD2 4.22Å; L147-F151 HydrophobicContact CB-CE2 4.47Å; L147-F151 HydrophobicContact CD2-CE2 3.97Å; L147-F151 VanDerWaalsContact O-CD2 3.27Å; L147-F151 WeakPolarHBondContact O-CD2 3.33Å; L147-F151 PolarHBondContact O-N 3.11Å; F151-L153 VanDerWaalsContact C-N 3.31Å; F151-L153 HydrophobicContact CB-CB 4.4Å; F151-L153 HydrophobicContact CB-CD1 3.73Å; F151-L153 HydrophobicContact CB-CG 3.97Å; F151-L153 PolarHBondContact O-N 3.21Å; F151-I158 HydrophobicContact CB-CD1 4.43Å; F151-I158 HydrophobicContact CD2-CD1 4.31Å |
| 152 | N | 92.4 | Very high | 92.8 | Very high | 120 Ų | 120 | 43 Ų | 43 | 64% | 0.642 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 52.3 | -172.4 | -169 | 43.5 | 0 | 0 | 0 | 111.6 | R75 T148 | R75-N152 PolarHBondContact NH1-O 3.07Å; R75-N152 PolarHBondContact NH2-O 2.92Å; T148-N152 VanDerWaalsContact O-CA 3.23Å; T148-N152 WeakPolarHBondContact O-CA 3.47Å; T148-N152 PolarHBondContact O-N 2.68Å |
| 153 | L | 92.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | trans | -127.2 | 146.7 | -177.8 | -69.9 | 172.4 | 0 | 0 | 0 | 109.8 | I115 Y124 V128 T148 F151 F157 I158 | I115-L153 HydrophobicContact CD1-CD2 3.66Å; Y124-L153 HydrophobicContact CE1-CD1 4.4Å; V128-L153 HydrophobicContact CG1-CD1 4.26Å; T148-L153 WeakPolarHBondContact CA-O 3.42Å; T148-L153 WeakPolarHBondContact CG2-O 3.31Å; T148-L153 PolarHBondContact O-N 3.23Å; F151-L153 VanDerWaalsContact C-N 3.31Å; F151-L153 HydrophobicContact CB-CB 4.4Å; F151-L153 HydrophobicContact CB-CD1 3.73Å; F151-L153 HydrophobicContact CB-CG 3.97Å; F151-L153 PolarHBondContact O-N 3.21Å; L153-F157 HydrophobicContact CB-CD1 4.35Å; L153-F157 HydrophobicContact CD1-CD1 4.06Å; L153-F157 HydrophobicContact CD1-CE1 4.25Å; L153-F157 HydrophobicContact CD2-CD1 4.15Å; L153-F157 HydrophobicContact CD2-CE1 4.37Å; L153-F157 HydrophobicContact CG-CD1 4.42Å; L153-I158 HydrophobicContact CB-CD1 3.86Å; L153-I158 HydrophobicContact CB-CG1 4.05Å; L153-I158 HydrophobicContact CD1-CD1 3.82Å; L153-I158 HydrophobicContact CG-CD1 4.46Å | ||
| 154 | P | 93.7 | Very high | 92.4 | Very high | 46 Ų | 46 | 54.2 Ų | 54.2 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | trans | -57.3 | 145.4 | 177.7 | -24.9 | 34.1 | 0 | 0 | 0 | 113.3 | I115 T156 F157 I158 | I115-P154 HydrophobicContact CG2-CG 4.21Å; P154-T156 PolarHBondContact O-N 3.43Å; P154-F157 HydrophobicContact CB-CB 4.27Å; P154-F157 WeakPolarHBondContact O-CA 3.48Å; P154-F157 WeakPolarHBondContact O-CB 3.13Å; P154-F157 PolarHBondContact O-N 3.16Å; P154-I158 PolarHBondContact O-N 3.41Å | ||
| 155 | T | 92.2 | Very high | 92.2 | Very high | 73 Ų | 73 | 54.1 Ų | 54.1 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.2 | -36.3 | 179.1 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | I144 T148 F157 S159 | I144-T155 HydrophobicContact CG2-CG2 4.16Å; T148-T155 HydrophobicContact CG2-CG2 3.88Å; T148-T155 VanDerWaalsContact OG1-CG2 3.31Å; T148-T155 WeakPolarHBondContact OG1-CG2 3.33Å; T155-F157 VanDerWaalsContact C-N 3.33Å; T155-S159 WeakPolarHBondContact O-CB 3.45Å; T155-S159 PolarHBondContact O-N 2.87Å; T155-S159 PolarHBondContact O-OG 3.38Å |
| 156 | T | 91.8 | Very high | 91.8 | Very high | 108 Ų | 108 | 55.7 Ų | 55.7 | 66% | 0.663 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.6 | -39 | 176.2 | 51.9 | 0 | 0 | 0 | 0 | 111.6 | P154 S159 S160 | P154-T156 PolarHBondContact O-N 3.43Å; T156-S159 WeakPolarHBondContact O-CB 3.37Å; T156-S159 PolarHBondContact O-N 2.94Å; T156-S160 PolarHBondContact O-N 3.32Å |
| 157 | F | 93.9 | Very high | 91 | Very high | 21 Ų | 21 | 57 Ų | 57 | 9% | 0.092 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.3 | -46.3 | 179.5 | -167.4 | -106 | 0 | 0 | 0 | 111.4 | I113 I115 V120 V125 L153 P154 T155 S159 S160 I161 | I113-F157 HydrophobicContact CG2-CE2 3.8Å; I113-F157 HydrophobicContact CG2-CZ 4.29Å; I115-F157 HydrophobicContact CD1-CD1 3.92Å; I115-F157 HydrophobicContact CD1-CD2 4.35Å; I115-F157 HydrophobicContact CD1-CE1 3.64Å; I115-F157 HydrophobicContact CD1-CE2 4.13Å; I115-F157 HydrophobicContact CD1-CG 4.25Å; I115-F157 HydrophobicContact CD1-CZ 3.77Å; I115-F157 HydrophobicContact CG1-CD1 4.46Å; I115-F157 HydrophobicContact CG1-CD2 4.03Å; I115-F157 HydrophobicContact CG1-CE1 4.29Å; I115-F157 HydrophobicContact CG1-CE2 3.86Å; I115-F157 HydrophobicContact CG1-CG 4.32Å; I115-F157 HydrophobicContact CG1-CZ 4Å; V120-F157 HydrophobicContact CG2-CZ 3.84Å; V125-F157 HydrophobicContact CG2-CE1 4.22Å; V125-F157 HydrophobicContact CG2-CZ 3.72Å; L153-F157 HydrophobicContact CB-CD1 4.35Å; L153-F157 HydrophobicContact CD1-CD1 4.06Å; L153-F157 HydrophobicContact CD1-CE1 4.25Å; L153-F157 HydrophobicContact CD2-CD1 4.15Å; L153-F157 HydrophobicContact CD2-CE1 4.37Å; L153-F157 HydrophobicContact CG-CD1 4.42Å; P154-F157 HydrophobicContact CB-CB 4.27Å; P154-F157 WeakPolarHBondContact O-CA 3.48Å; P154-F157 WeakPolarHBondContact O-CB 3.13Å; P154-F157 PolarHBondContact O-N 3.16Å; T155-F157 VanDerWaalsContact C-N 3.33Å; F157-S159 PolarHBondContact O-N 2.74Å; F157-S160 WeakPolarHBondContact CA-OG 3.27Å; F157-S160 PolarHBondContact O-N 3.29Å; F157-S160 VanDerWaalsContact O-N 3.09Å; F157-S160 PolarHBondContact O-OG 2.83Å; F157-I161 HydrophobicContact CD1-CD1 3.89Å; F157-I161 HydrophobicContact CD1-CG1 4.44Å; F157-I161 HydrophobicContact CE1-CD1 3.67Å; F157-I161 HydrophobicContact CE1-CG1 4.28Å; F157-I161 HydrophobicContact CZ-CD1 4.47Å; F157-I161 WeakPolarHBondContact O-CG1 3.43Å; F157-I161 PolarHBondContact O-N 3.45Å |
| 158 | I | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58 | -40.6 | 172.1 | -65.3 | -60.4 | 0 | 0 | 0 | 110.9 | I144 L147 F151 L153 P154 S160 I161 M162 | I144-I158 HydrophobicContact CG1-CG2 4.37Å; I144-I158 HydrophobicContact CG2-CB 4.29Å; I144-I158 HydrophobicContact CG2-CG2 4.09Å; L147-I158 HydrophobicContact CB-CD1 4.49Å; L147-I158 HydrophobicContact CB-CG2 3.84Å; L147-I158 HydrophobicContact CD1-CG2 3.91Å; F151-I158 HydrophobicContact CB-CD1 4.43Å; F151-I158 HydrophobicContact CD2-CD1 4.31Å; L153-I158 HydrophobicContact CB-CD1 3.86Å; L153-I158 HydrophobicContact CB-CG1 4.05Å; L153-I158 HydrophobicContact CD1-CD1 3.82Å; L153-I158 HydrophobicContact CG-CD1 4.46Å; P154-I158 PolarHBondContact O-N 3.41Å; I158-S160 VanDerWaalsContact C-N 3.34Å; I158-S160 PolarHBondContact O-N 3.41Å; I158-I161 PolarHBondContact O-N 3.43Å; I158-M162 WeakPolarHBondContact O-CG 3.34Å; I158-M162 PolarHBondContact O-N 3Å |
| 159 | S | 91.7 | Very high | 90.1 | Very high | 41 Ų | 41 | 61.2 Ų | 61.2 | 29% | 0.287 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 176.3 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | I144 T155 T156 F157 M162 Q163 | I144-S159 WeakPolarHBondContact CD1-OG 3.4Å; T155-S159 WeakPolarHBondContact O-CB 3.45Å; T155-S159 PolarHBondContact O-N 2.87Å; T155-S159 PolarHBondContact O-OG 3.38Å; T156-S159 WeakPolarHBondContact O-CB 3.37Å; T156-S159 PolarHBondContact O-N 2.94Å; F157-S159 PolarHBondContact O-N 2.74Å; S159-M162 PolarHBondContact O-N 3.05Å; S159-Q163 WeakPolarHBondContact O-CB 3.3Å; S159-Q163 PolarHBondContact O-N 2.9Å |
| 160 | S | 90.6 | Very high | 89.6 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 36% | 0.357 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 174.7 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | T156 F157 I158 Q163 E164 | T156-S160 PolarHBondContact O-N 3.32Å; F157-S160 WeakPolarHBondContact CA-OG 3.27Å; F157-S160 PolarHBondContact O-N 3.29Å; F157-S160 VanDerWaalsContact O-N 3.09Å; F157-S160 PolarHBondContact O-OG 2.83Å; I158-S160 VanDerWaalsContact C-N 3.34Å; I158-S160 PolarHBondContact O-N 3.41Å; S160-Q163 PolarHBondContact O-N 2.92Å; S160-E164 WeakPolarHBondContact O-CB 3.38Å; S160-E164 PolarHBondContact O-N 3.35Å |
| 161 | I | 92.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 174.7 | -63.8 | 176.8 | 0 | 0 | 0 | 109.9 | V125 V128 A129 I132 F157 I158 Q163 E164 Y165 F170 | V125-I161 HydrophobicContact CG1-CD1 4.16Å; V125-I161 HydrophobicContact CG1-CG1 3.93Å; V128-I161 HydrophobicContact CG1-CD1 4.06Å; A129-I161 HydrophobicContact CB-CG2 3.97Å; I132-I161 HydrophobicContact CD1-CG2 4.1Å; F157-I161 HydrophobicContact CD1-CD1 3.89Å; F157-I161 HydrophobicContact CD1-CG1 4.44Å; F157-I161 HydrophobicContact CE1-CD1 3.67Å; F157-I161 HydrophobicContact CE1-CG1 4.28Å; F157-I161 HydrophobicContact CZ-CD1 4.47Å; F157-I161 WeakPolarHBondContact O-CG1 3.43Å; F157-I161 PolarHBondContact O-N 3.45Å; I158-I161 PolarHBondContact O-N 3.43Å; I161-Q163 VanDerWaalsContact C-N 3.3Å; I161-Q163 PolarHBondContact O-N 3.24Å; I161-E164 PolarHBondContact O-N 3.26Å; I161-Y165 HydrophobicContact CG2-CD2 3.9Å; I161-Y165 HydrophobicContact CG2-CE2 4.28Å; I161-Y165 WeakPolarHBondContact O-CD2 3.35Å; I161-Y165 PolarHBondContact O-N 3.16Å; I161-F170 HydrophobicContact CG2-CE2 4.49Å |
| 162 | M | 90.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.5 | -45.9 | 177.1 | -76.4 | -62 | -149.1 | 0 | 0 | 111.4 | I132 L136 T142 L147 I158 S159 Q166 F170 Y179 | I132-M162 HydrophobicContact CG2-CE 3.72Å; I132-M162 HydrophobicContact CG2-SD 3.98Å; L136-M162 HydrophobicContact CD1-CE 4.42Å; T142-M162 HydrophobicContact CG2-CE 4.21Å; L147-M162 HydrophobicContact CD1-CE 3.43Å; L147-M162 VanDerWaalsContact CD1-CE 3.43Å; I158-M162 WeakPolarHBondContact O-CG 3.34Å; I158-M162 PolarHBondContact O-N 3Å; S159-M162 PolarHBondContact O-N 3.05Å; M162-Q166 WeakPolarHBondContact O-CA 3.24Å; M162-Q166 VanDerWaalsContact O-CB 3.28Å; M162-Q166 WeakPolarHBondContact O-CB 3.38Å; M162-Q166 PolarHBondContact O-N 2.99Å; M162-F170 HydrophobicContact SD-CD2 3.74Å; M162-F170 HydrophobicContact SD-CE2 3.64Å; M162-F170 HydrophobicContact SD-CG 4.38Å; M162-F170 HydrophobicContact SD-CZ 4.21Å; M162-Y179 HydrophobicContact CE-CD2 4.43Å; M162-Y179 HydrophobicContact CE-CG 4.35Å |
| 163 | Q | 89.2 | Confident | 88.5 | Confident | 158 Ų | 158 | 54.9 Ų | 54.9 | 74% | 0.738 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68.4 | -42.2 | -179.4 | -173.3 | 175.8 | 6.2 | 0 | 0 | 113 | S159 S160 I161 | S159-Q163 WeakPolarHBondContact O-CB 3.3Å; S159-Q163 PolarHBondContact O-N 2.9Å; S160-Q163 PolarHBondContact O-N 2.92Å; I161-Q163 VanDerWaalsContact C-N 3.3Å; I161-Q163 PolarHBondContact O-N 3.24Å |
| 164 | E | 88.2 | Confident | 88.2 | Confident | 105 Ų | 105 | 60.4 Ų | 60.4 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | -179.9 | -177.1 | 175.7 | 172.2 | 0 | 0 | 111.5 | S160 I161 | S160-E164 WeakPolarHBondContact O-CB 3.38Å; S160-E164 PolarHBondContact O-N 3.35Å; I161-E164 PolarHBondContact O-N 3.26Å |
| 165 | Y | 88.7 | Confident | 87.5 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 7% | 0.071 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -96.6 | 1.6 | -176.5 | -67.2 | -73.9 | 0 | 0 | 0 | 114.5 | V125 A129 I161 S167 T168 L169 F170 | V125-Y165 HydrophobicContact CG1-CE2 4.01Å; A129-Y165 HydrophobicContact CB-CD2 3.57Å; A129-Y165 HydrophobicContact CB-CE2 3.68Å; A129-Y165 HydrophobicContact CB-CG 4.03Å; I161-Y165 HydrophobicContact CG2-CD2 3.9Å; I161-Y165 HydrophobicContact CG2-CE2 4.28Å; I161-Y165 WeakPolarHBondContact O-CD2 3.35Å; I161-Y165 PolarHBondContact O-N 3.16Å; Y165-S167 VanDerWaalsContact C-N 3.31Å; Y165-S167 PolarHBondContact O-N 3.21Å; Y165-T168 WeakPolarHBondContact CA-OG1 3.11Å; Y165-T168 PolarHBondContact O-N 3.12Å; Y165-T168 VanDerWaalsContact O-N 3.16Å; Y165-T168 PolarHBondContact O-OG1 3.03Å; Y165-L169 HydrophobicContact CD1-CD1 3.44Å; Y165-L169 VanDerWaalsContact CD1-CD1 3.44Å; Y165-L169 HydrophobicContact CD1-CG 3.91Å; Y165-L169 HydrophobicContact CE1-CD1 4.05Å; Y165-L169 HydrophobicContact CG-CD1 3.87Å; Y165-L169 HydrophobicContact CG-CG 4.43Å; Y165-L169 PolarHBondContact O-N 2.84Å; Y165-F170 PolarHBondContact O-N 2.81Å |
| 166 | Q | 84.4 | Confident | 87 | Confident | 72 Ų | 72 | 62.6 Ų | 62.6 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -43.6 | -180 | -173.4 | 65.6 | 26 | 0 | 0 | 112.7 | M162 F170 V172 | M162-Q166 WeakPolarHBondContact O-CA 3.24Å; M162-Q166 VanDerWaalsContact O-CB 3.28Å; M162-Q166 WeakPolarHBondContact O-CB 3.38Å; M162-Q166 PolarHBondContact O-N 2.99Å; Q166-F170 CarbonylContact O-C 3.51Å; Q166-V172 PolarHBondContact NE2-O 3.24Å |
| 167 | S | 76.4 | Confident | 86.5 | Confident | 107 Ų | 107 | 64.3 Ų | 64.3 | 75% | 0.748 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -15 | -177.7 | 55.4 | 0 | 0 | 0 | 0 | 114 | Y165 | Y165-S167 VanDerWaalsContact C-N 3.31Å; Y165-S167 PolarHBondContact O-N 3.21Å |
| 168 | T | 83.7 | Confident | 86.2 | Confident | 89 Ų | 89 | 66.9 Ų | 66.9 | 55% | 0.546 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -41 | -171.1 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | Y165 | Y165-T168 WeakPolarHBondContact CA-OG1 3.11Å; Y165-T168 PolarHBondContact O-N 3.12Å; Y165-T168 VanDerWaalsContact O-N 3.16Å; Y165-T168 PolarHBondContact O-OG1 3.03Å |
| 169 | L | 84.4 | Confident | 86 | Confident | 30 Ų | 30 | 68 Ų | 68 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -47.8 | -176.9 | -61.7 | 177.5 | 0 | 0 | 0 | 111.2 | A129 Y165 H171 | A129-L169 HydrophobicContact CB-CD1 4.05Å; Y165-L169 HydrophobicContact CD1-CD1 3.44Å; Y165-L169 VanDerWaalsContact CD1-CD1 3.44Å; Y165-L169 HydrophobicContact CD1-CG 3.91Å; Y165-L169 HydrophobicContact CE1-CD1 4.05Å; Y165-L169 HydrophobicContact CG-CD1 3.87Å; Y165-L169 HydrophobicContact CG-CG 4.43Å; Y165-L169 PolarHBondContact O-N 2.84Å; L169-H171 PolarHBondContact O-N 2.81Å; L169-H171 PolarHBondContact O-ND1 3.06Å |
| 170 | F | 85.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | trans | -91 | 101.4 | -167.7 | -56 | -43.4 | 0 | 0 | 0 | 113 | A129 I132 L133 L136 I161 M162 Y165 Q166 V172 | A129-F170 HydrophobicContact CB-CZ 4.07Å; A129-F170 WeakPolarHBondContact O-CE1 3.3Å; A129-F170 WeakPolarHBondContact O-CZ 3.25Å; I132-F170 HydrophobicContact CB-CE1 4.04Å; I132-F170 HydrophobicContact CB-CZ 3.92Å; I132-F170 HydrophobicContact CG2-CE1 3.71Å; I132-F170 HydrophobicContact CG2-CE2 4.49Å; I132-F170 HydrophobicContact CG2-CZ 3.68Å; L133-F170 HydrophobicContact CB-CD1 4.33Å; L133-F170 HydrophobicContact CB-CE1 3.98Å; L133-F170 HydrophobicContact CD1-CD1 4.34Å; L136-F170 HydrophobicContact CD1-CD1 3.88Å; L136-F170 HydrophobicContact CD1-CE1 4.27Å; L136-F170 HydrophobicContact CD1-CG 4.48Å; I161-F170 HydrophobicContact CG2-CE2 4.49Å; M162-F170 HydrophobicContact SD-CD2 3.74Å; M162-F170 HydrophobicContact SD-CE2 3.64Å; M162-F170 HydrophobicContact SD-CG 4.38Å; M162-F170 HydrophobicContact SD-CZ 4.21Å; Y165-F170 PolarHBondContact O-N 2.81Å; Q166-F170 CarbonylContact O-C 3.51Å; F170-V172 VanDerWaalsContact C-N 3.35Å; F170-V172 HydrophobicContact CB-CG2 3.64Å; F170-V172 PolarHBondContact O-N 2.99Å; F170-V172 VanDerWaalsContact O-N 3.11Å | ||
| 171 | H | 82.9 | Confident | 85.8 | Confident | 128 Ų | 128 | 64.4 Ų | 64.4 | 59% | 0.593 | 33% | 0.327 | S | S | * | . | trans | -86.2 | 76.5 | 169.1 | -59.1 | 84.2 | 0 | 0 | 0 | 110.5 | L169 D182 | L169-H171 PolarHBondContact O-N 2.81Å; L169-H171 PolarHBondContact O-ND1 3.06Å; H171-D182 PolarHBondContact O-N 2.85Å | ||
| 172 | V | 86.7 | Confident | 85.6 | Confident | 7 Ų | 7 | 67.1 Ų | 67.1 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.5 | -165.3 | -154.4 | 0 | 0 | 0 | 0 | 111.4 | L136 Q166 F170 Y179 F180 | L136-V172 HydrophobicContact CD1-CG2 3.72Å; L136-V172 HydrophobicContact CD2-CG1 4.07Å; L136-V172 HydrophobicContact CD2-CG2 4.45Å; Q166-V172 PolarHBondContact NE2-O 3.24Å; F170-V172 VanDerWaalsContact C-N 3.35Å; F170-V172 HydrophobicContact CB-CG2 3.64Å; F170-V172 PolarHBondContact O-N 2.99Å; F170-V172 VanDerWaalsContact O-N 3.11Å; V172-Y179 HydrophobicContact CG1-CD1 4.42Å; V172-F180 CarbonylContact C-O 3.54Å; V172-F180 WeakPolarHBondContact CA-O 3.44Å; V172-F180 VanDerWaalsContact CG1-N 3.3Å; V172-F180 WeakPolarHBondContact CG1-O 3.45Å |
| 173 | H | 85.4 | Confident | 85.5 | Confident | 89 Ų | 89 | 71.8 Ų | 71.8 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.8 | 177 | -67.6 | -72.9 | 0 | 0 | 0 | 111.2 | Y175 Y179 F180 D182 L185 | H173-Y175 HydrophobicContact CB-CD2 4.17Å; H173-Y175 HydrophobicContact CB-CE2 3.67Å; H173-Y179 WeakPolarHBondContact O-CA 3.39Å; H173-F180 PolarHBondContact N-O 2.92Å; H173-F180 PolarHBondContact O-N 3.17Å; H173-D182 IonicContact CD2-OD1 2.69Å; H173-D182 PolarHBondContact CD2-OD1 2.91Å; H173-D182 IonicContact NE2-OD1 3.72Å; H173-D182 PolarHBondContact NE2-OD1 2.84Å; H173-D182 VanDerWaalsContact NE2-OD1 3.13Å; H173-L185 HydrophobicContact CB-CD1 3.87Å |
| 174 | K | 85.4 | Confident | 85.5 | Confident | 121 Ų | 121 | 67.1 Ų | 67.1 | 53% | 0.526 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120.9 | 176.2 | -172.5 | -179.2 | 180 | 178.4 | 0 | 110.7 | G176 K178 Y179 | K174-G176 WeakPolarHBondContact CE-O 3.45Å; K174-K178 WeakPolarHBondContact CA-O 3.49Å; K174-Y179 HydrophobicContact CB-CD1 4.13Å; K174-Y179 HydrophobicContact CB-CE1 3.94Å; K174-Y179 HydrophobicContact CD-CE1 4.2Å; K174-Y179 HydrophobicContact CD-CE2 4.46Å; K174-Y179 HydrophobicContact CG-CE1 4.15Å; K174-Y179 HydrophobicContact CG-CE2 4.46Å |
| 175 | Y | 78.8 | Confident | 85.6 | Confident | 108 Ų | 108 | 63.1 Ų | 63.1 | 42% | 0.424 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 110.1 | 169.1 | -68 | -89.2 | 0 | 0 | 0 | 109.4 | H173 E177 K178 F180 L185 L218 | H173-Y175 HydrophobicContact CB-CD2 4.17Å; H173-Y175 HydrophobicContact CB-CE2 3.67Å; Y175-E177 PolarHBondContact O-N 3.42Å; Y175-K178 PolarHBondContact N-O 2.88Å; Y175-K178 PolarHBondContact O-N 3.27Å; Y175-F180 AromaticContact CD2-CD2 3.77Å; Y175-F180 HydrophobicContact CD2-CD2 3.77Å; Y175-F180 HydrophobicContact CD2-CE2 4.31Å; Y175-F180 HydrophobicContact CG-CD2 4.38Å; Y175-F180 HydrophobicContact CG-CE2 4.49Å; Y175-L185 HydrophobicContact CE2-CD1 3.93Å; Y175-L185 HydrophobicContact CE2-CD2 4.21Å; Y175-L218 HydrophobicContact CD1-CD2 3.6Å; Y175-L218 HydrophobicContact CD2-CD2 4.01Å; Y175-L218 HydrophobicContact CE1-CD2 3.99Å; Y175-L218 HydrophobicContact CE2-CD2 4.36Å; Y175-L218 HydrophobicContact CG-CD2 3.61Å |
| 176 | G | 81.2 | Confident | 85.7 | Confident | 57 Ų | 57 | 67.2 Ų | 67.2 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | -128 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K174 K178 | K174-G176 WeakPolarHBondContact CE-O 3.45Å; G176-K178 VanDerWaalsContact C-N 3.32Å |
| 177 | E | 82.8 | Confident | 86 | Confident | 143 Ų | 143 | 66.7 Ų | 66.7 | 67% | 0.668 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -1.7 | 179.6 | -62.5 | -53.2 | 121.9 | 0 | 0 | 114 | S143 Y175 | S143-E177 VanDerWaalsContact CB-O 3.3Å; S143-E177 WeakPolarHBondContact CB-O 3.36Å; Y175-E177 PolarHBondContact O-N 3.42Å |
| 178 | K | 87.4 | Confident | 86.7 | Confident | 75 Ų | 75 | 62.1 Ų | 62.1 | 33% | 0.326 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 144 | -174.5 | -70.5 | -171.7 | 173.7 | -168.6 | 0 | 112.7 | T142 K174 Y175 G176 F180 | T142-K178 WeakPolarHBondContact O-CA 3.14Å; K174-K178 WeakPolarHBondContact CA-O 3.49Å; Y175-K178 PolarHBondContact N-O 2.88Å; Y175-K178 PolarHBondContact O-N 3.27Å; G176-K178 VanDerWaalsContact C-N 3.32Å; K178-F180 HydrophobicContact CB-CD2 4.25Å; K178-F180 HydrophobicContact CB-CE2 3.43Å; K178-F180 VanDerWaalsContact CB-CE2 3.43Å; K178-F180 HydrophobicContact CB-CZ 3.67Å; K178-F180 HydrophobicContact CD-CZ 4.08Å |
| 179 | Y | 88.9 | Confident | 87.1 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 129.3 | 172.7 | -71.1 | -93.6 | 0 | 0 | 0 | 108.3 | Q141 T142 I144 M162 V172 H173 K174 | Q141-Y179 CarbonylContact C-O 3.44Å; Q141-Y179 WeakPolarHBondContact CA-O 3.38Å; T142-Y179 PolarHBondContact N-O 3Å; T142-Y179 PolarHBondContact O-N 3.13Å; I144-Y179 HydrophobicContact CD1-CE2 3.68Å; I144-Y179 HydrophobicContact CG1-CE2 3.72Å; M162-Y179 HydrophobicContact CE-CD2 4.43Å; M162-Y179 HydrophobicContact CE-CG 4.35Å; V172-Y179 HydrophobicContact CG1-CD1 4.42Å; H173-Y179 WeakPolarHBondContact O-CA 3.39Å; K174-Y179 HydrophobicContact CB-CD1 4.13Å; K174-Y179 HydrophobicContact CB-CE1 3.94Å; K174-Y179 HydrophobicContact CD-CE1 4.2Å; K174-Y179 HydrophobicContact CD-CE2 4.46Å; K174-Y179 HydrophobicContact CG-CE1 4.15Å; K174-Y179 HydrophobicContact CG-CE2 4.46Å |
| 180 | F | 88.4 | Confident | 87.5 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 2% | 0.022 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 130.5 | -176.6 | -62.4 | -91.9 | 0 | 0 | 0 | 111.5 | Q141 V172 H173 Y175 K178 F184 L185 L218 | Q141-F180 HydrophobicContact CB-CD1 3.71Å; Q141-F180 HydrophobicContact CB-CE1 3.9Å; Q141-F180 HydrophobicContact CB-CG 4.43Å; V172-F180 CarbonylContact C-O 3.54Å; V172-F180 WeakPolarHBondContact CA-O 3.44Å; V172-F180 VanDerWaalsContact CG1-N 3.3Å; V172-F180 WeakPolarHBondContact CG1-O 3.45Å; H173-F180 PolarHBondContact N-O 2.92Å; H173-F180 PolarHBondContact O-N 3.17Å; Y175-F180 AromaticContact CD2-CD2 3.77Å; Y175-F180 HydrophobicContact CD2-CD2 3.77Å; Y175-F180 HydrophobicContact CD2-CE2 4.31Å; Y175-F180 HydrophobicContact CG-CD2 4.38Å; Y175-F180 HydrophobicContact CG-CE2 4.49Å; K178-F180 HydrophobicContact CB-CD2 4.25Å; K178-F180 HydrophobicContact CB-CE2 3.43Å; K178-F180 VanDerWaalsContact CB-CE2 3.43Å; K178-F180 HydrophobicContact CB-CZ 3.67Å; K178-F180 HydrophobicContact CD-CZ 4.08Å; F180-F184 AromaticContact CD1-CD1 3.58Å; F180-F184 HydrophobicContact CD1-CD1 3.58Å; F180-F184 AromaticContact CD1-CE1 3.57Å; F180-F184 HydrophobicContact CD1-CE1 3.57Å; F180-F184 HydrophobicContact CE1-CD1 4.31Å; F180-F184 AromaticContact CE1-CE1 3.82Å; F180-F184 HydrophobicContact CE1-CE1 3.82Å; F180-L185 HydrophobicContact CB-CD1 4.05Å; F180-L185 HydrophobicContact CB-CD2 3.8Å; F180-L185 HydrophobicContact CB-CG 3.73Å; F180-L185 HydrophobicContact CD1-CD2 4.43Å; F180-L185 HydrophobicContact CG-CD2 4.13Å; F180-L218 HydrophobicContact CE1-CD1 4.01Å; F180-L218 HydrophobicContact CE2-CD1 4.27Å; F180-L218 HydrophobicContact CZ-CD1 3.78Å |
| 181 | T | 90.3 | Very high | 87.9 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 155.1 | 175.7 | 60.3 | 0 | 0 | 0 | 0 | 111.5 | L136 G140 T183 F184 L185 | L136-T181 HydrophobicContact CB-CG2 3.83Å; L136-T181 HydrophobicContact CD2-CG2 4.22Å; L136-T181 VanDerWaalsContact O-CG2 3.24Å; L136-T181 WeakPolarHBondContact O-CG2 3.27Å; G140-T181 PolarHBondContact O-N 3.01Å; G140-T181 PolarHBondContact O-OG1 3.29Å; T181-T183 PolarHBondContact O-N 3.32Å; T181-T183 PolarHBondContact OG1-OG1 2.94Å; T181-F184 PolarHBondContact O-N 3.21Å; T181-F184 VanDerWaalsContact OG1-CB 3.27Å; T181-F184 WeakPolarHBondContact OG1-CB 3.08Å; T181-F184 PolarHBondContact OG1-N 2.87Å; T181-L185 WeakPolarHBondContact O-CG 3.48Å; T181-L185 PolarHBondContact O-N 3.21Å |
| 182 | D | 88.4 | Confident | 88.4 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 32% | 0.321 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.5 | -39 | 173.8 | -74.7 | -25.5 | 0 | 0 | 0 | 112.1 | H171 H173 L185 N186 | H171-D182 PolarHBondContact O-N 2.85Å; H173-D182 IonicContact CD2-OD1 2.69Å; H173-D182 PolarHBondContact CD2-OD1 2.91Å; H173-D182 IonicContact NE2-OD1 3.72Å; H173-D182 PolarHBondContact NE2-OD1 2.84Å; H173-D182 VanDerWaalsContact NE2-OD1 3.13Å; D182-L185 PolarHBondContact O-N 3.45Å; D182-N186 WeakPolarHBondContact O-CB 3.22Å; D182-N186 PolarHBondContact O-N 3Å; D182-N186 PolarHBondContact O-ND2 2.87Å |
| 183 | T | 89.1 | Confident | 88.7 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 61% | 0.613 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.1 | -46.2 | 177.8 | 53.6 | 0 | 0 | 0 | 0 | 111 | T181 N186 A187 | T181-T183 PolarHBondContact O-N 3.32Å; T181-T183 PolarHBondContact OG1-OG1 2.94Å; T183-N186 PolarHBondContact O-N 3.4Å; T183-A187 WeakPolarHBondContact O-CB 3.34Å; T183-A187 PolarHBondContact O-N 3.4Å |
| 184 | F | 89.3 | Confident | 89.1 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 26% | 0.263 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 177.8 | -175.7 | -89.8 | 0 | 0 | 0 | 112.5 | G140 F180 T181 A187 T188 | G140-F184 WeakPolarHBondContact O-CB 3.43Å; F180-F184 AromaticContact CD1-CD1 3.58Å; F180-F184 HydrophobicContact CD1-CD1 3.58Å; F180-F184 AromaticContact CD1-CE1 3.57Å; F180-F184 HydrophobicContact CD1-CE1 3.57Å; F180-F184 HydrophobicContact CE1-CD1 4.31Å; F180-F184 AromaticContact CE1-CE1 3.82Å; F180-F184 HydrophobicContact CE1-CE1 3.82Å; T181-F184 PolarHBondContact O-N 3.21Å; T181-F184 VanDerWaalsContact OG1-CB 3.27Å; T181-F184 WeakPolarHBondContact OG1-CB 3.08Å; T181-F184 PolarHBondContact OG1-N 2.87Å; F184-A187 PolarHBondContact O-N 3.39Å; F184-T188 WeakPolarHBondContact CE1-OG1 3.28Å; F184-T188 VanDerWaalsContact O-CB 3.28Å; F184-T188 WeakPolarHBondContact O-CB 3.45Å; F184-T188 PolarHBondContact O-N 2.77Å; F184-T188 PolarHBondContact O-OG1 3.29Å |
| 185 | L | 88.7 | Confident | 89.6 | Confident | 21 Ų | 21 | 61.4 Ų | 61.4 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65 | -40.9 | 177 | -72.5 | 176.1 | 0 | 0 | 0 | 111.9 | H173 Y175 F180 T181 D182 T188 K189 | H173-L185 HydrophobicContact CB-CD1 3.87Å; Y175-L185 HydrophobicContact CE2-CD1 3.93Å; Y175-L185 HydrophobicContact CE2-CD2 4.21Å; F180-L185 HydrophobicContact CB-CD1 4.05Å; F180-L185 HydrophobicContact CB-CD2 3.8Å; F180-L185 HydrophobicContact CB-CG 3.73Å; F180-L185 HydrophobicContact CD1-CD2 4.43Å; F180-L185 HydrophobicContact CG-CD2 4.13Å; T181-L185 WeakPolarHBondContact O-CG 3.48Å; T181-L185 PolarHBondContact O-N 3.21Å; D182-L185 PolarHBondContact O-N 3.45Å; L185-T188 PolarHBondContact O-N 3.45Å; L185-K189 VanDerWaalsContact O-CB 3.25Å; L185-K189 WeakPolarHBondContact O-CB 3.49Å; L185-K189 PolarHBondContact O-N 2.84Å |
| 186 | N | 90.6 | Very high | 90.3 | Very high | 103 Ų | 103 | 56.3 Ų | 56.3 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.3 | -41.7 | 176.8 | -74.8 | -38.5 | 0 | 0 | 0 | 111.7 | D182 T183 K189 A190 | D182-N186 WeakPolarHBondContact O-CB 3.22Å; D182-N186 PolarHBondContact O-N 3Å; D182-N186 PolarHBondContact O-ND2 2.87Å; T183-N186 PolarHBondContact O-N 3.4Å; N186-K189 PolarHBondContact O-N 3.35Å; N186-A190 WeakPolarHBondContact O-CB 3.25Å; N186-A190 PolarHBondContact O-N 2.92Å |
| 187 | A | 90.6 | Very high | 90.9 | Very high | 61 Ų | 61 | 58.2 Ų | 58.2 | 50% | 0.504 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T183 F184 A190 K191 | T183-A187 WeakPolarHBondContact O-CB 3.34Å; T183-A187 PolarHBondContact O-N 3.4Å; F184-A187 PolarHBondContact O-N 3.39Å; A187-A190 PolarHBondContact O-N 2.88Å; A187-K191 WeakPolarHBondContact O-CB 3.22Å; A187-K191 PolarHBondContact O-N 3.02Å |
| 188 | T | 91 | Very high | 91.3 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -45.2 | 176.7 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | F184 L185 A190 K191 I192 I214 I222 | F184-T188 WeakPolarHBondContact CE1-OG1 3.28Å; F184-T188 VanDerWaalsContact O-CB 3.28Å; F184-T188 WeakPolarHBondContact O-CB 3.45Å; F184-T188 PolarHBondContact O-N 2.77Å; F184-T188 PolarHBondContact O-OG1 3.29Å; L185-T188 PolarHBondContact O-N 3.45Å; T188-A190 VanDerWaalsContact C-N 3.33Å; T188-A190 PolarHBondContact O-N 3.43Å; T188-K191 WeakPolarHBondContact O-CB 3.34Å; T188-K191 PolarHBondContact O-N 3.19Å; T188-I192 HydrophobicContact CG2-CD1 4Å; T188-I192 WeakPolarHBondContact O-CG1 3.32Å; T188-I192 PolarHBondContact O-N 2.79Å; T188-I214 HydrophobicContact CG2-CD1 3.72Å; T188-I214 HydrophobicContact CG2-CG1 4.09Å; T188-I214 HydrophobicContact CG2-CG2 3.98Å; T188-I222 HydrophobicContact CG2-CD1 4.35Å |
| 189 | K | 92.2 | Very high | 91.6 | Very high | 76 Ų | 76 | 51.4 Ų | 51.4 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 175 | -176.4 | 171.2 | -172.7 | 172.9 | 0 | 112 | L185 N186 R193 I222 L226 | L185-K189 VanDerWaalsContact O-CB 3.25Å; L185-K189 WeakPolarHBondContact O-CB 3.49Å; L185-K189 PolarHBondContact O-N 2.84Å; N186-K189 PolarHBondContact O-N 3.35Å; K189-R193 VanDerWaalsContact O-CB 3.27Å; K189-R193 WeakPolarHBondContact O-CB 3.48Å; K189-R193 PolarHBondContact O-N 3.04Å; K189-I222 HydrophobicContact CB-CG2 4.21Å; K189-I222 HydrophobicContact CG-CG2 3.89Å; K189-L226 HydrophobicContact CG-CD2 4.18Å |
| 190 | A | 93.5 | Very high | 91.8 | Very high | 46 Ų | 46 | 56 Ų | 56 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | N186 A187 T188 R193 G194 | N186-A190 WeakPolarHBondContact O-CB 3.25Å; N186-A190 PolarHBondContact O-N 2.92Å; A187-A190 PolarHBondContact O-N 2.88Å; T188-A190 VanDerWaalsContact C-N 3.33Å; T188-A190 PolarHBondContact O-N 3.43Å; A190-R193 PolarHBondContact O-N 3.42Å; A190-G194 PolarHBondContact O-N 3.38Å |
| 191 | K | 93.4 | Very high | 92 | Very high | 108 Ų | 108 | 64.3 Ų | 64.3 | 47% | 0.47 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 175.6 | -172 | -179.3 | -176.6 | -173.2 | 0 | 111.6 | A187 T188 G194 Y195 L212 I214 | A187-K191 WeakPolarHBondContact O-CB 3.22Å; A187-K191 PolarHBondContact O-N 3.02Å; T188-K191 WeakPolarHBondContact O-CB 3.34Å; T188-K191 PolarHBondContact O-N 3.19Å; K191-G194 PolarHBondContact O-N 3.18Å; K191-Y195 PolarHBondContact O-N 2.8Å; K191-L212 HydrophobicContact CG-CD2 4.39Å; K191-L212 PolarHBondContact NZ-O 2.93Å; K191-I214 HydrophobicContact CD-CD1 4.41Å |
| 192 | I | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.7 | -51.9 | 175.8 | -69.6 | 168.9 | 0 | 0 | 0 | 110.1 | T188 G194 Y195 F196 L212 I214 I219 I222 V223 L226 | T188-I192 HydrophobicContact CG2-CD1 4Å; T188-I192 WeakPolarHBondContact O-CG1 3.32Å; T188-I192 PolarHBondContact O-N 2.79Å; I192-G194 VanDerWaalsContact C-N 3.33Å; I192-G194 PolarHBondContact O-N 3.03Å; I192-Y195 PolarHBondContact O-N 3.32Å; I192-F196 HydrophobicContact CG2-CD2 3.64Å; I192-F196 HydrophobicContact CG2-CE2 3.87Å; I192-F196 VanDerWaalsContact O-CD2 3.31Å; I192-F196 WeakPolarHBondContact O-CD2 3.23Å; I192-F196 PolarHBondContact O-N 2.96Å; I192-L212 HydrophobicContact CG1-CD1 4.42Å; I192-I214 HydrophobicContact CD1-CD1 4.01Å; I192-I214 HydrophobicContact CG1-CD1 3.7Å; I192-I219 HydrophobicContact CD1-CG1 3.68Å; I192-I219 HydrophobicContact CG1-CG1 4.11Å; I192-I222 HydrophobicContact CB-CG2 4.33Å; I192-I222 HydrophobicContact CD1-CB 3.95Å; I192-I222 HydrophobicContact CD1-CD1 3.67Å; I192-I222 HydrophobicContact CD1-CG1 4.41Å; I192-I222 HydrophobicContact CD1-CG2 3.82Å; I192-I222 HydrophobicContact CG2-CG2 4.08Å; I192-V223 HydrophobicContact CG2-CG2 3.65Å; I192-L226 HydrophobicContact CG2-CD1 4.11Å |
| 193 | R | 93 | Very high | 92.2 | Very high | 109 Ų | 109 | 65.4 Ų | 65.4 | 41% | 0.411 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.4 | -47.9 | 178.7 | -177.6 | -178.4 | 63.9 | 173.5 | -1.2 | 111.5 | K189 A190 Y195 F196 T197 L226 | K189-R193 VanDerWaalsContact O-CB 3.27Å; K189-R193 WeakPolarHBondContact O-CB 3.48Å; K189-R193 PolarHBondContact O-N 3.04Å; A190-R193 PolarHBondContact O-N 3.42Å; R193-Y195 VanDerWaalsContact C-N 3.34Å; R193-Y195 PolarHBondContact O-N 2.98Å; R193-F196 PolarHBondContact O-N 3.48Å; R193-T197 VanDerWaalsContact O-CB 3.25Å; R193-T197 WeakPolarHBondContact O-CB 3.35Å; R193-T197 PolarHBondContact O-N 3.28Å; R193-T197 PolarHBondContact O-OG1 3.5Å; R193-L226 HydrophobicContact CB-CD1 3.94Å |
| 194 | G | 94.1 | Very high | 92.4 | Very high | 48 Ų | 48 | 63.6 Ų | 63.6 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A190 K191 I192 G198 | A190-G194 PolarHBondContact O-N 3.38Å; K191-G194 PolarHBondContact O-N 3.18Å; I192-G194 VanDerWaalsContact C-N 3.33Å; I192-G194 PolarHBondContact O-N 3.03Å; G194-G198 PolarHBondContact O-N 2.83Å |
| 195 | Y | 95.1 | Very high | 92.4 | Very high | 63 Ų | 63 | 61 Ų | 61 | 25% | 0.247 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.1 | -58.5 | 176.3 | -173.1 | -87.2 | 0 | 0 | 0 | 111.6 | K191 I192 R193 T197 G198 V199 V208 K211 L212 | K191-Y195 PolarHBondContact O-N 2.8Å; I192-Y195 PolarHBondContact O-N 3.32Å; R193-Y195 VanDerWaalsContact C-N 3.34Å; R193-Y195 PolarHBondContact O-N 2.98Å; Y195-T197 VanDerWaalsContact C-N 3.28Å; Y195-T197 PolarHBondContact O-N 3.42Å; Y195-G198 PolarHBondContact O-N 3.07Å; Y195-V199 HydrophobicContact CD1-CG2 3.93Å; Y195-V199 HydrophobicContact CE1-CG2 3.69Å; Y195-V199 WeakPolarHBondContact O-CG2 3.1Å; Y195-V199 PolarHBondContact O-N 2.91Å; Y195-V208 HydrophobicContact CD1-CG1 3.56Å; Y195-V208 HydrophobicContact CD1-CG2 4.2Å; Y195-V208 HydrophobicContact CE1-CB 4.11Å; Y195-V208 HydrophobicContact CE1-CG1 3.51Å; Y195-V208 HydrophobicContact CE1-CG2 3.39Å; Y195-V208 HydrophobicContact CG-CG1 4.2Å; Y195-K211 HydrophobicContact CE2-CD 4.1Å; Y195-L212 HydrophobicContact CD2-CD1 4.47Å; Y195-L212 HydrophobicContact CD2-CD2 3.88Å; Y195-L212 HydrophobicContact CD2-CG 4.47Å; Y195-L212 HydrophobicContact CE2-CD2 4.48Å; Y195-L212 HydrophobicContact CG-CD1 4.15Å; Y195-L212 HydrophobicContact CG-CD2 4.35Å |
| 196 | F | 94.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.4 | -24.8 | -174 | -77.3 | -78.4 | 0 | 0 | 0 | 113.8 | I192 R193 G198 V199 V203 L205 V208 V223 L232 F243 | I192-F196 HydrophobicContact CG2-CD2 3.64Å; I192-F196 HydrophobicContact CG2-CE2 3.87Å; I192-F196 VanDerWaalsContact O-CD2 3.31Å; I192-F196 WeakPolarHBondContact O-CD2 3.23Å; I192-F196 PolarHBondContact O-N 2.96Å; R193-F196 PolarHBondContact O-N 3.48Å; F196-G198 VanDerWaalsContact C-N 3.29Å; F196-V199 PolarHBondContact O-N 3.37Å; F196-V203 HydrophobicContact CD1-CG2 4.24Å; F196-V203 HydrophobicContact CE1-CG2 3.73Å; F196-L205 HydrophobicContact CE1-CD2 4.14Å; F196-L205 HydrophobicContact CE2-CD2 4.46Å; F196-L205 HydrophobicContact CZ-CD2 3.66Å; F196-V208 HydrophobicContact CE1-CG2 4.31Å; F196-V208 HydrophobicContact CE2-CG1 3.81Å; F196-V208 HydrophobicContact CZ-CB 3.99Å; F196-V208 HydrophobicContact CZ-CG1 3.73Å; F196-V208 HydrophobicContact CZ-CG2 4Å; F196-V223 HydrophobicContact CD2-CG2 3.82Å; F196-V223 HydrophobicContact CE2-CG2 3.51Å; F196-V223 HydrophobicContact CZ-CG2 4Å; F196-L232 HydrophobicContact CB-CD1 3.61Å; F196-L232 HydrophobicContact CB-CD2 3.7Å; F196-L232 HydrophobicContact CB-CG 4.31Å; F196-L232 HydrophobicContact CG-CD2 4.2Å; F196-F243 HydrophobicContact CB-CE1 4.35Å; F196-F243 HydrophobicContact CD1-CB 4.04Å; F196-F243 AromaticContact CD1-CD1 3.45Å; F196-F243 HydrophobicContact CD1-CD1 3.45Å; F196-F243 VanDerWaalsContact CD1-CD1 3.45Å; F196-F243 HydrophobicContact CD1-CD2 4.41Å; F196-F243 AromaticContact CD1-CE1 3.91Å; F196-F243 HydrophobicContact CD1-CE1 3.91Å; F196-F243 AromaticContact CD1-CG 3.71Å; F196-F243 HydrophobicContact CD1-CG 3.71Å; F196-F243 HydrophobicContact CE1-CB 3.75Å; F196-F243 HydrophobicContact CE1-CD1 4.02Å; F196-F243 AromaticContact CE1-CG 3.96Å; F196-F243 HydrophobicContact CE1-CG 3.96Å |
| 197 | T | 92.9 | Very high | 92.4 | Very high | 97 Ų | 97 | 60.2 Ų | 60.2 | 60% | 0.595 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.7 | -32.7 | 172.1 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | R193 Y195 V199 | R193-T197 VanDerWaalsContact O-CB 3.25Å; R193-T197 WeakPolarHBondContact O-CB 3.35Å; R193-T197 PolarHBondContact O-N 3.28Å; R193-T197 PolarHBondContact O-OG1 3.5Å; Y195-T197 VanDerWaalsContact C-N 3.28Å; Y195-T197 PolarHBondContact O-N 3.42Å; T197-V199 VanDerWaalsContact C-N 3.34Å |
| 198 | G | 91.8 | Very high | 92.5 | Very high | 60 Ų | 60 | 57.4 Ų | 57.4 | 62% | 0.619 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -6.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G194 Y195 F196 | G194-G198 PolarHBondContact O-N 2.83Å; Y195-G198 PolarHBondContact O-N 3.07Å; F196-G198 VanDerWaalsContact C-N 3.29Å |
| 199 | V | 93.5 | Very high | 92.5 | Very high | 15 Ų | 15 | 57 Ų | 57 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | trans | -79.7 | 125.2 | -178.2 | 175.6 | 0 | 0 | 0 | 0 | 110 | Y195 F196 T197 R201 V203 P245 | Y195-V199 HydrophobicContact CD1-CG2 3.93Å; Y195-V199 HydrophobicContact CE1-CG2 3.69Å; Y195-V199 WeakPolarHBondContact O-CG2 3.1Å; Y195-V199 PolarHBondContact O-N 2.91Å; F196-V199 PolarHBondContact O-N 3.37Å; T197-V199 VanDerWaalsContact C-N 3.34Å; V199-R201 WeakPolarHBondContact CG1-O 3.5Å; V199-V203 HydrophobicContact CG1-CB 4.4Å; V199-V203 HydrophobicContact CG1-CG1 3.65Å; V199-V203 HydrophobicContact CG1-CG2 3.89Å; V199-V203 HydrophobicContact CG2-CG1 4.4Å; V199-V203 HydrophobicContact CG2-CG2 4.3Å; V199-P245 HydrophobicContact CB-CG 4.25Å; V199-P245 HydrophobicContact CG1-CG 3.69Å; V199-P245 WeakPolarHBondContact O-CB 2.88Å; V199-P245 WeakPolarHBondContact O-CG 3.38Å | ||
| 200 | I | 93.7 | Very high | 92.4 | Very high | 121 Ų | 121 | 57.5 Ų | 57.5 | 62% | 0.621 | 33% | 0.331 | S | S | * | . | trans | -109.3 | -3.2 | 179.5 | 59.3 | 163.7 | 0 | 0 | 0 | 114 | Y248 | I200-Y248 WeakPolarHBondContact O-CD2 3.27Š| ||
| 201 | R | 91.3 | Very high | 92.2 | Very high | 179 Ų | 179 | 62.3 Ų | 62.3 | 68% | 0.675 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -135 | 156.8 | 179.2 | -71.2 | -177.5 | -177.3 | 176.8 | 0.4 | 110 | V199 V203 Y248 | V199-R201 WeakPolarHBondContact CG1-O 3.5Å; R201-V203 PolarHBondContact O-N 3.17Å; R201-Y248 HydrophobicContact CG-CD2 4.31Å; R201-Y248 HydrophobicContact CG-CE2 4.35Å |
| 202 | P | 91.5 | Very high | 92.1 | Very high | 57 Ų | 57 | 58 Ų | 58 | 37% | 0.37 | 33% | 0.325 | S | S | . | . | trans | -54.5 | 135.9 | 175.9 | -26.2 | 34.9 | 0 | 0 | 0 | 112.7 | F243 V244 Y248 | P202-F243 VanDerWaalsContact CA-O 3.3Å; P202-F243 WeakPolarHBondContact CA-O 3.3Å; P202-V244 HydrophobicContact CB-CG2 4.22Å; P202-V244 HydrophobicContact CG-CG1 4.36Å; P202-V244 HydrophobicContact CG-CG2 4.27Å; P202-Y248 HydrophobicContact CG-CD1 3.92Å; P202-Y248 HydrophobicContact CG-CE1 3.71Å; P202-Y248 HydrophobicContact CG-CG 4.42Å | ||
| 203 | V | 92.5 | Very high | 91.8 | Very high | 37 Ų | 37 | 66.5 Ų | 66.5 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 148 | 179 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | F196 V199 R201 V208 G242 F243 | F196-V203 HydrophobicContact CD1-CG2 4.24Å; F196-V203 HydrophobicContact CE1-CG2 3.73Å; V199-V203 HydrophobicContact CG1-CB 4.4Å; V199-V203 HydrophobicContact CG1-CG1 3.65Å; V199-V203 HydrophobicContact CG1-CG2 3.89Å; V199-V203 HydrophobicContact CG2-CG1 4.4Å; V199-V203 HydrophobicContact CG2-CG2 4.3Å; R201-V203 PolarHBondContact O-N 3.17Å; V203-V208 HydrophobicContact CB-CG2 4.3Å; V203-V208 HydrophobicContact CG2-CG2 4.13Å; V203-G242 CarbonylContact O-C 3.3Å; V203-G242 WeakPolarHBondContact O-CA 3.1Å; V203-F243 HydrophobicContact CG2-CB 4.22Å; V203-F243 HydrophobicContact CG2-CD1 4.32Å; V203-F243 PolarHBondContact N-O 2.69Å; V203-F243 PolarHBondContact O-N 3.02Å |
| 204 | N | 92.2 | Very high | 91.5 | Very high | 62 Ų | 62 | 62.1 Ų | 62.1 | 33% | 0.332 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 129.9 | 173.8 | -169.3 | -29.9 | 0 | 0 | 0 | 110.7 | S206 S207 V208 S241 | N204-S206 VanDerWaalsContact C-N 3.28Å; N204-S206 VanDerWaalsContact CG-OG 3.28Å; N204-S206 PolarHBondContact O-N 2.9Å; N204-S206 PolarHBondContact OD1-N 2.89Å; N204-S206 PolarHBondContact OD1-OG 2.97Å; N204-S207 WeakPolarHBondContact O-CB 3.44Å; N204-S207 PolarHBondContact O-N 2.96Å; N204-V208 WeakPolarHBondContact O-CG2 3.44Å; N204-V208 PolarHBondContact O-N 3.22Å; N204-V208 VanDerWaalsContact O-N 3.11Å; N204-S241 PolarHBondContact OD1-O 3.28Å; N204-S241 PolarHBondContact OD1-OG 2.84Å |
| 205 | L | 91.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.4 | -39 | 178.2 | -67.2 | 156.4 | 0 | 0 | 0 | 111.9 | F196 S207 V208 A209 I219 D220 V223 L236 S241 | F196-L205 HydrophobicContact CE1-CD2 4.14Å; F196-L205 HydrophobicContact CE2-CD2 4.46Å; F196-L205 HydrophobicContact CZ-CD2 3.66Å; L205-S207 PolarHBondContact O-N 2.87Å; L205-V208 CarbonylContact O-C 3.55Å; L205-V208 PolarHBondContact O-N 3.44Å; L205-A209 WeakPolarHBondContact O-CB 3.33Å; L205-A209 PolarHBondContact O-N 3.28Å; L205-I219 HydrophobicContact CB-CG2 4.17Å; L205-I219 HydrophobicContact CD2-CG2 3.63Å; L205-I219 HydrophobicContact CG-CG2 4.49Å; L205-D220 WeakPolarHBondContact CB-OD1 3.15Å; L205-D220 WeakPolarHBondContact CD1-OD1 3.49Å; L205-V223 HydrophobicContact CD2-CB 4.17Å; L205-V223 HydrophobicContact CD2-CG1 4.14Å; L205-V223 HydrophobicContact CD2-CG2 3.89Å; L205-L236 HydrophobicContact CD1-CD2 3.78Å; L205-L236 HydrophobicContact CD2-CD2 4.41Å; L205-L236 HydrophobicContact CG-CD2 4.49Å; L205-S241 VanDerWaalsContact CB-O 3.25Å; L205-S241 WeakPolarHBondContact CB-O 3.34Å; L205-S241 VanDerWaalsContact CD1-C 3.43Å; L205-S241 VanDerWaalsContact CD1-O 3.26Å; L205-S241 WeakPolarHBondContact CD1-O 3.37Å; L205-S241 WeakPolarHBondContact CG-O 3.45Å; L205-S241 PolarHBondContact N-O 2.92Å |
| 206 | S | 89.2 | Confident | 90.5 | Very high | 37 Ų | 37 | 64.9 Ų | 64.9 | 26% | 0.259 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 178.4 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | N204 V208 A209 S210 E216 | N204-S206 VanDerWaalsContact C-N 3.28Å; N204-S206 VanDerWaalsContact CG-OG 3.28Å; N204-S206 PolarHBondContact O-N 2.9Å; N204-S206 PolarHBondContact OD1-N 2.89Å; N204-S206 PolarHBondContact OD1-OG 2.97Å; S206-V208 VanDerWaalsContact C-N 3.28Å; S206-V208 PolarHBondContact O-N 3.25Å; S206-A209 PolarHBondContact O-N 2.85Å; S206-S210 PolarHBondContact O-N 2.97Å; S206-S210 PolarHBondContact O-OG 3.46Å; S206-E216 WeakPolarHBondContact CA-OE1 3.45Å; S206-E216 WeakPolarHBondContact CB-OE1 3.46Å |
| 207 | S | 90.1 | Very high | 89.9 | Confident | 72 Ų | 72 | 71.4 Ų | 71.4 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.8 | -33.2 | 175 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | N204 L205 S210 K211 | N204-S207 WeakPolarHBondContact O-CB 3.44Å; N204-S207 PolarHBondContact O-N 2.96Å; L205-S207 PolarHBondContact O-N 2.87Å; S207-S210 PolarHBondContact O-OG 3.45Å; S207-K211 WeakPolarHBondContact O-CB 3.49Å; S207-K211 PolarHBondContact O-N 3.37Å |
| 208 | V | 91.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.012 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -75 | -36.6 | 174.1 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | Y195 F196 V203 N204 L205 S206 K211 L212 | Y195-V208 HydrophobicContact CD1-CG1 3.56Å; Y195-V208 HydrophobicContact CD1-CG2 4.2Å; Y195-V208 HydrophobicContact CE1-CB 4.11Å; Y195-V208 HydrophobicContact CE1-CG1 3.51Å; Y195-V208 HydrophobicContact CE1-CG2 3.39Å; Y195-V208 HydrophobicContact CG-CG1 4.2Å; F196-V208 HydrophobicContact CE1-CG2 4.31Å; F196-V208 HydrophobicContact CE2-CG1 3.81Å; F196-V208 HydrophobicContact CZ-CB 3.99Å; F196-V208 HydrophobicContact CZ-CG1 3.73Å; F196-V208 HydrophobicContact CZ-CG2 4Å; V203-V208 HydrophobicContact CB-CG2 4.3Å; V203-V208 HydrophobicContact CG2-CG2 4.13Å; N204-V208 WeakPolarHBondContact O-CG2 3.44Å; N204-V208 PolarHBondContact O-N 3.22Å; N204-V208 VanDerWaalsContact O-N 3.11Å; L205-V208 CarbonylContact O-C 3.55Å; L205-V208 PolarHBondContact O-N 3.44Å; S206-V208 VanDerWaalsContact C-N 3.28Å; S206-V208 PolarHBondContact O-N 3.25Å; V208-K211 PolarHBondContact O-N 3.03Å; V208-L212 HydrophobicContact CG1-CD1 3.6Å; V208-L212 HydrophobicContact CG1-CG 3.96Å; V208-L212 WeakPolarHBondContact O-CB 3.25Å; V208-L212 WeakPolarHBondContact O-CG 3.27Å; V208-L212 PolarHBondContact O-N 3.27Å |
| 209 | A | 90.5 | Very high | 89.4 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62 | -49.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L205 S206 K211 L212 Q213 I214 E216 I219 | L205-A209 WeakPolarHBondContact O-CB 3.33Å; L205-A209 PolarHBondContact O-N 3.28Å; S206-A209 PolarHBondContact O-N 2.85Å; A209-K211 VanDerWaalsContact C-N 3.34Å; A209-K211 PolarHBondContact O-N 3.26Å; A209-L212 PolarHBondContact O-N 3Å; A209-Q213 WeakPolarHBondContact O-CA 3.23Å; A209-Q213 PolarHBondContact O-N 2.85Å; A209-I214 WeakPolarHBondContact CB-O 3.46Å; A209-I214 PolarHBondContact O-N 3.48Å; A209-E216 HydrophobicContact CB-CB 4.5Å; A209-E216 HydrophobicContact CB-CG 3.62Å; A209-I219 HydrophobicContact CB-CD1 3.48Å; A209-I219 VanDerWaalsContact CB-CD1 3.48Å |
| 210 | S | 89.8 | Confident | 89.2 | Confident | 86 Ų | 86 | 66.4 Ų | 66.4 | 60% | 0.601 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.6 | -43.4 | 171.9 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | S206 S207 Q213 | S206-S210 PolarHBondContact O-N 2.97Å; S206-S210 PolarHBondContact O-OG 3.46Å; S207-S210 PolarHBondContact O-OG 3.45Å; S210-Q213 PolarHBondContact O-N 3.33Å |
| 211 | K | 90.8 | Very high | 88.9 | Confident | 146 Ų | 146 | 63.2 Ų | 63.2 | 64% | 0.635 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.3 | -39.5 | 179.9 | -173.7 | 172.2 | -177.7 | 177.3 | 0 | 113.8 | Y195 S207 V208 A209 Q213 | Y195-K211 HydrophobicContact CE2-CD 4.1Å; S207-K211 WeakPolarHBondContact O-CB 3.49Å; S207-K211 PolarHBondContact O-N 3.37Å; V208-K211 PolarHBondContact O-N 3.03Å; A209-K211 VanDerWaalsContact C-N 3.34Å; A209-K211 PolarHBondContact O-N 3.26Å; K211-Q213 VanDerWaalsContact C-N 3.33Å |
| 212 | L | 90.8 | Very high | 88.8 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 9% | 0.089 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -86.9 | -6.2 | 179.1 | -61.6 | -178.9 | 0 | 0 | 0 | 112.9 | K191 I192 Y195 V208 A209 I214 | K191-L212 HydrophobicContact CG-CD2 4.39Å; K191-L212 PolarHBondContact NZ-O 2.93Å; I192-L212 HydrophobicContact CG1-CD1 4.42Å; Y195-L212 HydrophobicContact CD2-CD1 4.47Å; Y195-L212 HydrophobicContact CD2-CD2 3.88Å; Y195-L212 HydrophobicContact CD2-CG 4.47Å; Y195-L212 HydrophobicContact CE2-CD2 4.48Å; Y195-L212 HydrophobicContact CG-CD1 4.15Å; Y195-L212 HydrophobicContact CG-CD2 4.35Å; V208-L212 HydrophobicContact CG1-CD1 3.6Å; V208-L212 HydrophobicContact CG1-CG 3.96Å; V208-L212 WeakPolarHBondContact O-CB 3.25Å; V208-L212 WeakPolarHBondContact O-CG 3.27Å; V208-L212 PolarHBondContact O-N 3.27Å; A209-L212 PolarHBondContact O-N 3Å; L212-I214 VanDerWaalsContact C-N 3.32Å; L212-I214 HydrophobicContact CB-CD1 3.63Å; L212-I214 HydrophobicContact CB-CG1 3.98Å; L212-I214 HydrophobicContact CD1-CD1 4.07Å |
| 213 | Q | 87.4 | Confident | 88.9 | Confident | 179 Ų | 179 | 53 Ų | 53 | 84% | 0.836 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 43.2 | -173.9 | -58.8 | 176.9 | -5.3 | 0 | 0 | 112.5 | A209 S210 K211 | A209-Q213 WeakPolarHBondContact O-CA 3.23Å; A209-Q213 PolarHBondContact O-N 2.85Å; S210-Q213 PolarHBondContact O-N 3.33Å; K211-Q213 VanDerWaalsContact C-N 3.33Å |
| 214 | I | 87.3 | Confident | 88.9 | Confident | 18 Ų | 18 | 53.8 Ų | 53.8 | 9% | 0.092 | 30% | 0.299 | C | S | . | . | trans | -116.4 | 138.1 | 179.7 | -58.3 | 164.3 | 0 | 0 | 0 | 108.1 | T188 K191 I192 A209 L212 E216 L218 I219 | T188-I214 HydrophobicContact CG2-CD1 3.72Å; T188-I214 HydrophobicContact CG2-CG1 4.09Å; T188-I214 HydrophobicContact CG2-CG2 3.98Å; K191-I214 HydrophobicContact CD-CD1 4.41Å; I192-I214 HydrophobicContact CD1-CD1 4.01Å; I192-I214 HydrophobicContact CG1-CD1 3.7Å; A209-I214 WeakPolarHBondContact CB-O 3.46Å; A209-I214 PolarHBondContact O-N 3.48Å; L212-I214 VanDerWaalsContact C-N 3.32Å; L212-I214 HydrophobicContact CB-CD1 3.63Å; L212-I214 HydrophobicContact CB-CG1 3.98Å; L212-I214 HydrophobicContact CD1-CD1 4.07Å; I214-E216 PolarHBondContact O-N 2.71Å; I214-L218 HydrophobicContact CG2-CB 4.1Å; I214-I219 HydrophobicContact CB-CD1 3.68Å; I214-I219 HydrophobicContact CB-CG1 4.04Å; I214-I219 HydrophobicContact CD1-CD1 4.29Å; I214-I219 HydrophobicContact CD1-CG1 4.45Å; I214-I219 HydrophobicContact CG2-CD1 4Å; I214-I219 HydrophobicContact CG2-CG1 3.79Å | ||
| 215 | P | 84.6 | Confident | 88.9 | Confident | 63 Ų | 63 | 52.9 Ų | 52.9 | 41% | 0.409 | 30% | 0.297 | S | S | . | . | trans | -54.5 | 136 | 173.7 | -25.6 | 33.7 | 0 | 0 | 0 | 112.7 | N217 L218 I219 | P215-N217 VanDerWaalsContact C-N 3.32Å; P215-N217 PolarHBondContact O-N 2.98Å; P215-L218 HydrophobicContact CB-CD1 4.37Å; P215-L218 HydrophobicContact CB-CG 4.36Å; P215-L218 HydrophobicContact CG-CD1 4.13Å; P215-L218 WeakPolarHBondContact O-CB 3.49Å; P215-L218 PolarHBondContact O-N 2.82Å; P215-I219 PolarHBondContact O-N 3.2Å | ||
| 216 | E | 83.3 | Confident | 89 | Confident | 106 Ų | 106 | 52.8 Ų | 52.8 | 50% | 0.495 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.5 | -43.5 | -176.2 | -69.3 | -175.5 | 167.8 | 0 | 0 | 112.6 | S206 A209 I214 L218 I219 D220 | S206-E216 WeakPolarHBondContact CA-OE1 3.45Å; S206-E216 WeakPolarHBondContact CB-OE1 3.46Å; A209-E216 HydrophobicContact CB-CB 4.5Å; A209-E216 HydrophobicContact CB-CG 3.62Å; I214-E216 PolarHBondContact O-N 2.71Å; E216-L218 PolarHBondContact O-N 2.96Å; E216-I219 PolarHBondContact O-N 2.97Å; E216-D220 PolarHBondContact O-N 3.47Å |
| 217 | N | 81.8 | Confident | 89.3 | Confident | 139 Ų | 139 | 52.9 Ų | 52.9 | 74% | 0.743 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -56.9 | -35 | 177.8 | -61 | -18.1 | 0 | 0 | 0 | 113 | P215 S221 | P215-N217 VanDerWaalsContact C-N 3.32Å; P215-N217 PolarHBondContact O-N 2.98Å; N217-S221 WeakPolarHBondContact O-CB 3.42Å; N217-S221 PolarHBondContact O-N 3.43Å; N217-S221 PolarHBondContact O-OG 3.37Å |
| 218 | L | 84 | Confident | 89.4 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -75.9 | -38.1 | 177.5 | -69.8 | -178.4 | 0 | 0 | 0 | 111.3 | Y175 F180 I214 P215 E216 S221 I222 | Y175-L218 HydrophobicContact CD1-CD2 3.6Å; Y175-L218 HydrophobicContact CD2-CD2 4.01Å; Y175-L218 HydrophobicContact CE1-CD2 3.99Å; Y175-L218 HydrophobicContact CE2-CD2 4.36Å; Y175-L218 HydrophobicContact CG-CD2 3.61Å; F180-L218 HydrophobicContact CE1-CD1 4.01Å; F180-L218 HydrophobicContact CE2-CD1 4.27Å; F180-L218 HydrophobicContact CZ-CD1 3.78Å; I214-L218 HydrophobicContact CG2-CB 4.1Å; P215-L218 HydrophobicContact CB-CD1 4.37Å; P215-L218 HydrophobicContact CB-CG 4.36Å; P215-L218 HydrophobicContact CG-CD1 4.13Å; P215-L218 WeakPolarHBondContact O-CB 3.49Å; P215-L218 PolarHBondContact O-N 2.82Å; E216-L218 PolarHBondContact O-N 2.96Å; L218-S221 PolarHBondContact O-OG 3.41Å; L218-I222 HydrophobicContact CB-CD1 4.46Å; L218-I222 VanDerWaalsContact O-CB 3.23Å; L218-I222 WeakPolarHBondContact O-CB 3.34Å; L218-I222 WeakPolarHBondContact O-CD1 3.23Å; L218-I222 WeakPolarHBondContact O-CG1 3.31Å; L218-I222 PolarHBondContact O-N 2.65Å |
| 219 | I | 89.8 | Confident | 89.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.8 | -47 | 177.1 | -85.7 | 167.3 | 0 | 0 | 0 | 111.4 | I192 L205 A209 I214 P215 E216 S221 I222 V223 | I192-I219 HydrophobicContact CD1-CG1 3.68Å; I192-I219 HydrophobicContact CG1-CG1 4.11Å; L205-I219 HydrophobicContact CB-CG2 4.17Å; L205-I219 HydrophobicContact CD2-CG2 3.63Å; L205-I219 HydrophobicContact CG-CG2 4.49Å; A209-I219 HydrophobicContact CB-CD1 3.48Å; A209-I219 VanDerWaalsContact CB-CD1 3.48Å; I214-I219 HydrophobicContact CB-CD1 3.68Å; I214-I219 HydrophobicContact CB-CG1 4.04Å; I214-I219 HydrophobicContact CD1-CD1 4.29Å; I214-I219 HydrophobicContact CD1-CG1 4.45Å; I214-I219 HydrophobicContact CG2-CD1 4Å; I214-I219 HydrophobicContact CG2-CG1 3.79Å; P215-I219 PolarHBondContact O-N 3.2Å; E216-I219 PolarHBondContact O-N 2.97Å; I219-S221 PolarHBondContact O-N 2.95Å; I219-I222 PolarHBondContact O-N 2.92Å; I219-V223 HydrophobicContact CG2-CG2 4.11Å; I219-V223 VanDerWaalsContact O-CB 3.31Å; I219-V223 WeakPolarHBondContact O-CB 3.32Å; I219-V223 VanDerWaalsContact O-CG2 3.23Å; I219-V223 WeakPolarHBondContact O-CG2 3.41Å; I219-V223 PolarHBondContact O-N 3.28Å |
| 220 | D | 88.7 | Confident | 89.5 | Confident | 58 Ų | 58 | 59.4 Ų | 59.4 | 31% | 0.31 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | -177.2 | -73.3 | -10.1 | 0 | 0 | 0 | 111.5 | L205 E216 S224 | L205-D220 WeakPolarHBondContact CB-OD1 3.15Å; L205-D220 WeakPolarHBondContact CD1-OD1 3.49Å; E216-D220 PolarHBondContact O-N 3.47Å; D220-S224 WeakPolarHBondContact O-CB 3.44Å; D220-S224 PolarHBondContact O-N 3.43Å; D220-S224 PolarHBondContact O-OG 3.18Å |
| 221 | S | 87.8 | Confident | 89.7 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 177.6 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | N217 L218 I219 S225 | N217-S221 WeakPolarHBondContact O-CB 3.42Å; N217-S221 PolarHBondContact O-N 3.43Å; N217-S221 PolarHBondContact O-OG 3.37Å; L218-S221 PolarHBondContact O-OG 3.41Å; I219-S221 PolarHBondContact O-N 2.95Å; S221-S225 VanDerWaalsContact O-CB 3.32Å; S221-S225 WeakPolarHBondContact O-CB 3.41Å; S221-S225 PolarHBondContact O-N 3.18Å |
| 222 | I | 90.6 | Very high | 89.8 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 11% | 0.108 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.4 | -44.5 | 179.7 | -67.8 | 168.5 | 0 | 0 | 0 | 111.4 | T188 K189 I192 L218 I219 S225 L226 | T188-I222 HydrophobicContact CG2-CD1 4.35Å; K189-I222 HydrophobicContact CB-CG2 4.21Å; K189-I222 HydrophobicContact CG-CG2 3.89Å; I192-I222 HydrophobicContact CB-CG2 4.33Å; I192-I222 HydrophobicContact CD1-CB 3.95Å; I192-I222 HydrophobicContact CD1-CD1 3.67Å; I192-I222 HydrophobicContact CD1-CG1 4.41Å; I192-I222 HydrophobicContact CD1-CG2 3.82Å; I192-I222 HydrophobicContact CG2-CG2 4.08Å; L218-I222 HydrophobicContact CB-CD1 4.46Å; L218-I222 VanDerWaalsContact O-CB 3.23Å; L218-I222 WeakPolarHBondContact O-CB 3.34Å; L218-I222 WeakPolarHBondContact O-CD1 3.23Å; L218-I222 WeakPolarHBondContact O-CG1 3.31Å; L218-I222 PolarHBondContact O-N 2.65Å; I219-I222 PolarHBondContact O-N 2.92Å; I222-S225 PolarHBondContact O-N 2.83Å; I222-L226 HydrophobicContact CG2-CD1 3.85Å; I222-L226 HydrophobicContact CG2-CG 4.21Å; I222-L226 WeakPolarHBondContact O-CB 3.25Å; I222-L226 VanDerWaalsContact O-CG 3.25Å; I222-L226 WeakPolarHBondContact O-CG 3.32Å; I222-L226 PolarHBondContact O-N 3.17Å |
| 223 | V | 93.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 178.2 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | I192 F196 L205 I219 S225 L226 I227 L232 L236 F243 | I192-V223 HydrophobicContact CG2-CG2 3.65Å; F196-V223 HydrophobicContact CD2-CG2 3.82Å; F196-V223 HydrophobicContact CE2-CG2 3.51Å; F196-V223 HydrophobicContact CZ-CG2 4Å; L205-V223 HydrophobicContact CD2-CB 4.17Å; L205-V223 HydrophobicContact CD2-CG1 4.14Å; L205-V223 HydrophobicContact CD2-CG2 3.89Å; I219-V223 HydrophobicContact CG2-CG2 4.11Å; I219-V223 VanDerWaalsContact O-CB 3.31Å; I219-V223 WeakPolarHBondContact O-CB 3.32Å; I219-V223 VanDerWaalsContact O-CG2 3.23Å; I219-V223 WeakPolarHBondContact O-CG2 3.41Å; I219-V223 PolarHBondContact O-N 3.28Å; V223-S225 VanDerWaalsContact C-N 3.33Å; V223-S225 PolarHBondContact O-N 3.34Å; V223-L226 PolarHBondContact O-N 3.48Å; V223-I227 HydrophobicContact CG1-CD1 3.89Å; V223-I227 WeakPolarHBondContact O-CG1 3.11Å; V223-I227 PolarHBondContact O-N 3.2Å; V223-L232 HydrophobicContact CG1-CD2 4.03Å; V223-L236 HydrophobicContact CG1-CD1 4.41Å; V223-L236 HydrophobicContact CG1-CD2 3.87Å; V223-L236 HydrophobicContact CG1-CG 4.42Å; V223-F243 HydrophobicContact CG1-CD2 4.33Å |
| 224 | S | 91.1 | Very high | 90.1 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 38% | 0.378 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 175.2 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | D220 L226 I227 S228 L236 | D220-S224 WeakPolarHBondContact O-CB 3.44Å; D220-S224 PolarHBondContact O-N 3.43Å; D220-S224 PolarHBondContact O-OG 3.18Å; S224-L226 PolarHBondContact O-N 3.23Å; S224-I227 PolarHBondContact O-N 2.92Å; S224-S228 WeakPolarHBondContact O-CB 3.26Å; S224-S228 PolarHBondContact O-N 3.01Å; S224-S228 PolarHBondContact O-OG 3.04Å; S224-L236 VanDerWaalsContact OG-CD1 3.32Å; S224-L236 WeakPolarHBondContact OG-CD1 3.33Å |
| 225 | S | 91.8 | Very high | 90.3 | Very high | 42 Ų | 42 | 60.3 Ų | 60.3 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 175.3 | 177.2 | 0 | 0 | 0 | 0 | 112.7 | S221 I222 V223 S228 T229 | S221-S225 VanDerWaalsContact O-CB 3.32Å; S221-S225 WeakPolarHBondContact O-CB 3.41Å; S221-S225 PolarHBondContact O-N 3.18Å; I222-S225 PolarHBondContact O-N 2.83Å; V223-S225 VanDerWaalsContact C-N 3.33Å; V223-S225 PolarHBondContact O-N 3.34Å; S225-S228 WeakPolarHBondContact CA-OG 3.19Å; S225-S228 PolarHBondContact O-N 3.03Å; S225-S228 PolarHBondContact O-OG 3.26Å; S225-S228 VanDerWaalsContact O-OG 3.07Å; S225-T229 WeakPolarHBondContact O-CB 3.38Å; S225-T229 VanDerWaalsContact O-CG2 3.23Å; S225-T229 WeakPolarHBondContact O-CG2 3.35Å; S225-T229 PolarHBondContact O-N 2.99Å; S225-T229 PolarHBondContact O-OG1 2.78Å |
| 226 | L | 94.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 178.5 | -73.4 | 171.6 | 0 | 0 | 0 | 111.9 | K189 I192 R193 I222 V223 S224 T229 G230 R231 L232 | K189-L226 HydrophobicContact CG-CD2 4.18Å; I192-L226 HydrophobicContact CG2-CD1 4.11Å; R193-L226 HydrophobicContact CB-CD1 3.94Å; I222-L226 HydrophobicContact CG2-CD1 3.85Å; I222-L226 HydrophobicContact CG2-CG 4.21Å; I222-L226 WeakPolarHBondContact O-CB 3.25Å; I222-L226 VanDerWaalsContact O-CG 3.25Å; I222-L226 WeakPolarHBondContact O-CG 3.32Å; I222-L226 PolarHBondContact O-N 3.17Å; V223-L226 PolarHBondContact O-N 3.48Å; S224-L226 PolarHBondContact O-N 3.23Å; L226-T229 WeakPolarHBondContact CA-OG1 3.31Å; L226-T229 PolarHBondContact O-OG1 3.24Å; L226-G230 PolarHBondContact O-N 2.84Å; L226-R231 HydrophobicContact CD2-CB 3.8Å; L226-R231 WeakPolarHBondContact O-CA 3.25Å; L226-R231 PolarHBondContact O-N 2.87Å; L226-L232 HydrophobicContact CB-CB 3.75Å; L226-L232 HydrophobicContact CB-CD2 4.45Å; L226-L232 PolarHBondContact O-N 3.11Å |
| 227 | I | 94.2 | Very high | 90.5 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 20% | 0.2 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.5 | -48.9 | 174.1 | -66 | 165.7 | 0 | 0 | 0 | 109.9 | V223 S224 T229 G230 L232 G234 L236 F243 | V223-I227 HydrophobicContact CG1-CD1 3.89Å; V223-I227 WeakPolarHBondContact O-CG1 3.11Å; V223-I227 PolarHBondContact O-N 3.2Å; S224-I227 PolarHBondContact O-N 2.92Å; I227-T229 PolarHBondContact O-N 3.44Å; I227-G230 PolarHBondContact O-N 2.82Å; I227-L232 HydrophobicContact CG1-CB 4.32Å; I227-L232 HydrophobicContact CG1-CD2 4.16Å; I227-L232 HydrophobicContact CG1-CG 4.37Å; I227-G234 WeakPolarHBondContact CG2-O 3.47Å; I227-L236 HydrophobicContact CD1-CD1 4.39Å; I227-L236 HydrophobicContact CD1-CD2 4.25Å; I227-L236 HydrophobicContact CD1-CG 3.78Å; I227-F243 HydrophobicContact CD1-CD2 4.11Å; I227-F243 HydrophobicContact CD1-CE2 4.06Å; I227-F243 HydrophobicContact CG1-CE2 4.41Å |
| 228 | S | 93.3 | Very high | 90.1 | Very high | 98 Ų | 98 | 56.8 Ų | 56.8 | 69% | 0.685 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.8 | -30.6 | -178.3 | 74.7 | 0 | 0 | 0 | 0 | 113 | S224 S225 G230 | S224-S228 WeakPolarHBondContact O-CB 3.26Å; S224-S228 PolarHBondContact O-N 3.01Å; S224-S228 PolarHBondContact O-OG 3.04Å; S225-S228 WeakPolarHBondContact CA-OG 3.19Å; S225-S228 PolarHBondContact O-N 3.03Å; S225-S228 PolarHBondContact O-OG 3.26Å; S225-S228 VanDerWaalsContact O-OG 3.07Å; S228-G230 VanDerWaalsContact C-N 3.3Å |
| 229 | T | 93.5 | Very high | 89.4 | Confident | 77 Ų | 77 | 60.8 Ų | 60.8 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 1.1 | 175.4 | 56 | 0 | 0 | 0 | 0 | 113.7 | S225 L226 I227 R231 | S225-T229 WeakPolarHBondContact O-CB 3.38Å; S225-T229 VanDerWaalsContact O-CG2 3.23Å; S225-T229 WeakPolarHBondContact O-CG2 3.35Å; S225-T229 PolarHBondContact O-N 2.99Å; S225-T229 PolarHBondContact O-OG1 2.78Å; L226-T229 WeakPolarHBondContact CA-OG1 3.31Å; L226-T229 PolarHBondContact O-OG1 3.24Å; I227-T229 PolarHBondContact O-N 3.44Å; T229-R231 PolarHBondContact O-N 3.28Å; T229-R231 WeakPolarHBondContact OG1-CG 3.49Å |
| 230 | G | 91.7 | Very high | 88.4 | Confident | 39 Ų | 39 | 69.6 Ų | 69.6 | 40% | 0.402 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 15.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L226 I227 S228 | L226-G230 PolarHBondContact O-N 2.84Å; I227-G230 PolarHBondContact O-N 2.82Å; S228-G230 VanDerWaalsContact C-N 3.3Å |
| 231 | R | 92.3 | Very high | 87.9 | Confident | 167 Ų | 167 | 69.3 Ų | 69.3 | 63% | 0.63 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -85.4 | -18 | 178.2 | -65.5 | -62.4 | -168.7 | 161.1 | 2 | 112.9 | L226 T229 | L226-R231 HydrophobicContact CD2-CB 3.8Å; L226-R231 WeakPolarHBondContact O-CA 3.25Å; L226-R231 PolarHBondContact O-N 2.87Å; T229-R231 PolarHBondContact O-N 3.28Å; T229-R231 WeakPolarHBondContact OG1-CG 3.49Å |
| 232 | L | 93.7 | Very high | 87.9 | Confident | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -129.4 | 127.2 | 175 | -179.5 | 65.1 | 0 | 0 | 0 | 109.6 | F196 V223 L226 I227 F243 | F196-L232 HydrophobicContact CB-CD1 3.61Å; F196-L232 HydrophobicContact CB-CD2 3.7Å; F196-L232 HydrophobicContact CB-CG 4.31Å; F196-L232 HydrophobicContact CG-CD2 4.2Å; V223-L232 HydrophobicContact CG1-CD2 4.03Å; L226-L232 HydrophobicContact CB-CB 3.75Å; L226-L232 HydrophobicContact CB-CD2 4.45Å; L226-L232 PolarHBondContact O-N 3.11Å; I227-L232 HydrophobicContact CG1-CB 4.32Å; I227-L232 HydrophobicContact CG1-CD2 4.16Å; I227-L232 HydrophobicContact CG1-CG 4.37Å; L232-F243 HydrophobicContact CD1-CE2 4.5Å; L232-F243 HydrophobicContact CD1-CZ 3.94Å; L232-F243 HydrophobicContact CD2-CD2 4.29Å; L232-F243 HydrophobicContact CD2-CE2 3.61Å; L232-F243 HydrophobicContact CD2-CZ 3.86Å; L232-F243 HydrophobicContact CG-CE2 3.85Å; L232-F243 HydrophobicContact CG-CZ 3.79Å |
| 233 | Y | 92.8 | Very high | 88 | Confident | 179 Ų | 179 | 66 Ų | 66 | 70% | 0.702 | 38% | 0.383 | S | S | * | . | trans | -95.6 | 101.2 | -178.1 | -65.1 | -81.1 | 0 | 0 | 0 | 111.1 | K246 | Y233-K246 PolarHBondContact O-N 2.96Š| ||
| 234 | G | 92.1 | Very high | 88 | Confident | 7 Ų | 7 | 67 Ų | 67 | 7% | 0.072 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.2 | 177.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | I227 V244 | I227-G234 WeakPolarHBondContact CG2-O 3.47Å; G234-V244 CarbonylContact C-O 3.58Å; G234-V244 WeakPolarHBondContact CA-O 3.14Å |
| 235 | N | 91.1 | Very high | 88.1 | Confident | 105 Ų | 105 | 64.6 Ų | 64.6 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 149.2 | -177.6 | -68.5 | -32.5 | 0 | 0 | 0 | 110.5 | V244 | N235-V244 PolarHBondContact N-O 3.47Å; N235-V244 PolarHBondContact O-N 3.43Å |
| 236 | L | 89.9 | Confident | 88.2 | Confident | 61 Ų | 61 | 67.8 Ų | 67.8 | 32% | 0.319 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 133.8 | 169.2 | -66.4 | -179 | 0 | 0 | 0 | 110 | L205 V223 S224 I227 A238 G242 F243 | L205-L236 HydrophobicContact CD1-CD2 3.78Å; L205-L236 HydrophobicContact CD2-CD2 4.41Å; L205-L236 HydrophobicContact CG-CD2 4.49Å; V223-L236 HydrophobicContact CG1-CD1 4.41Å; V223-L236 HydrophobicContact CG1-CD2 3.87Å; V223-L236 HydrophobicContact CG1-CG 4.42Å; S224-L236 VanDerWaalsContact OG-CD1 3.32Å; S224-L236 WeakPolarHBondContact OG-CD1 3.33Å; I227-L236 HydrophobicContact CD1-CD1 4.39Å; I227-L236 HydrophobicContact CD1-CD2 4.25Å; I227-L236 HydrophobicContact CD1-CG 3.78Å; L236-A238 PolarHBondContact O-N 3Å; L236-G242 CarbonylContact C-O 3.51Å; L236-G242 WeakPolarHBondContact CA-O 3.42Å; L236-F243 HydrophobicContact CD2-CB 4.08Å; L236-F243 HydrophobicContact CD2-CD2 4.22Å |
| 237 | I | 83.3 | Confident | 88.1 | Confident | 73 Ų | 73 | 71 Ų | 71 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 117.2 | 174.3 | -55.6 | 171.9 | 0 | 0 | 0 | 108.2 | G239 R240 G242 V244 | I237-G239 PolarHBondContact O-N 3.38Å; I237-R240 HydrophobicContact CB-CB 4.31Å; I237-R240 HydrophobicContact CG2-CB 3.99Å; I237-R240 HydrophobicContact CG2-CG 4.35Å; I237-R240 PolarHBondContact O-N 3.3Å; I237-G242 PolarHBondContact N-O 3.04Å; I237-V244 HydrophobicContact CD1-CG2 3.54Å; I237-V244 HydrophobicContact CG1-CG2 3.64Å |
| 238 | A | 71.6 | Confident | 88 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 83% | 0.826 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 127 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L236 R240 | L236-A238 PolarHBondContact O-N 3Å; A238-R240 VanDerWaalsContact C-N 3.29Å; A238-R240 PolarHBondContact O-N 3.42Å |
| 239 | G | 69.7 | Low | 87.8 | Confident | 91 Ų | 91 | 68.2 Ų | 68.2 | 94% | 0.938 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -9.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | I237 | I237-G239 PolarHBondContact O-N 3.38Š|
| 240 | R | 68.5 | Low | 87.7 | Confident | 186 Ų | 186 | 71.9 Ų | 71.9 | 70% | 0.702 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 7.7 | -177.6 | -69.7 | -170 | 177.7 | -179.6 | 0.4 | 115.5 | I237 A238 G242 | I237-R240 HydrophobicContact CB-CB 4.31Å; I237-R240 HydrophobicContact CG2-CB 3.99Å; I237-R240 HydrophobicContact CG2-CG 4.35Å; I237-R240 PolarHBondContact O-N 3.3Å; A238-R240 VanDerWaalsContact C-N 3.29Å; A238-R240 PolarHBondContact O-N 3.42Å; R240-G242 PolarHBondContact O-N 3.42Å |
| 241 | S | 77.8 | Confident | 87.6 | Confident | 51 Ų | 51 | 72.7 Ų | 72.7 | 36% | 0.357 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.4 | 38.9 | -177.1 | 65.3 | 0 | 0 | 0 | 0 | 112.8 | N204 L205 | N204-S241 PolarHBondContact OD1-O 3.28Å; N204-S241 PolarHBondContact OD1-OG 2.84Å; L205-S241 VanDerWaalsContact CB-O 3.25Å; L205-S241 WeakPolarHBondContact CB-O 3.34Å; L205-S241 VanDerWaalsContact CD1-C 3.43Å; L205-S241 VanDerWaalsContact CD1-O 3.26Å; L205-S241 WeakPolarHBondContact CD1-O 3.37Å; L205-S241 WeakPolarHBondContact CG-O 3.45Å; L205-S241 PolarHBondContact N-O 2.92Å |
| 242 | G | 89 | Confident | 87.5 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V203 L236 I237 R240 | V203-G242 CarbonylContact O-C 3.3Å; V203-G242 WeakPolarHBondContact O-CA 3.1Å; L236-G242 CarbonylContact C-O 3.51Å; L236-G242 WeakPolarHBondContact CA-O 3.42Å; I237-G242 PolarHBondContact N-O 3.04Å; R240-G242 PolarHBondContact O-N 3.42Å |
| 243 | F | 93.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 128.4 | 173.1 | 174.2 | -101.6 | 0 | 0 | 0 | 110.2 | F196 P202 V203 V223 I227 L232 L236 P245 | F196-F243 HydrophobicContact CB-CE1 4.35Å; F196-F243 HydrophobicContact CD1-CB 4.04Å; F196-F243 AromaticContact CD1-CD1 3.45Å; F196-F243 HydrophobicContact CD1-CD1 3.45Å; F196-F243 VanDerWaalsContact CD1-CD1 3.45Å; F196-F243 HydrophobicContact CD1-CD2 4.41Å; F196-F243 AromaticContact CD1-CE1 3.91Å; F196-F243 HydrophobicContact CD1-CE1 3.91Å; F196-F243 AromaticContact CD1-CG 3.71Å; F196-F243 HydrophobicContact CD1-CG 3.71Å; F196-F243 HydrophobicContact CE1-CB 3.75Å; F196-F243 HydrophobicContact CE1-CD1 4.02Å; F196-F243 AromaticContact CE1-CG 3.96Å; F196-F243 HydrophobicContact CE1-CG 3.96Å; P202-F243 VanDerWaalsContact CA-O 3.3Å; P202-F243 WeakPolarHBondContact CA-O 3.3Å; V203-F243 HydrophobicContact CG2-CB 4.22Å; V203-F243 HydrophobicContact CG2-CD1 4.32Å; V203-F243 PolarHBondContact N-O 2.69Å; V203-F243 PolarHBondContact O-N 3.02Å; V223-F243 HydrophobicContact CG1-CD2 4.33Å; I227-F243 HydrophobicContact CD1-CD2 4.11Å; I227-F243 HydrophobicContact CD1-CE2 4.06Å; I227-F243 HydrophobicContact CG1-CE2 4.41Å; L232-F243 HydrophobicContact CD1-CE2 4.5Å; L232-F243 HydrophobicContact CD1-CZ 3.94Å; L232-F243 HydrophobicContact CD2-CD2 4.29Å; L232-F243 HydrophobicContact CD2-CE2 3.61Å; L232-F243 HydrophobicContact CD2-CZ 3.86Å; L232-F243 HydrophobicContact CG-CE2 3.85Å; L232-F243 HydrophobicContact CG-CZ 3.79Å; L236-F243 HydrophobicContact CD2-CB 4.08Å; L236-F243 HydrophobicContact CD2-CD2 4.22Å; F243-P245 HydrophobicContact CD1-CG 4.13Å; F243-P245 HydrophobicContact CE1-CB 4.08Å; F243-P245 HydrophobicContact CE1-CG 3.76Å |
| 244 | V | 92.1 | Very high | 87.3 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 113.5 | 173.4 | -176.9 | 0 | 0 | 0 | 0 | 109 | P202 G234 N235 I237 Y248 T249 | P202-V244 HydrophobicContact CB-CG2 4.22Å; P202-V244 HydrophobicContact CG-CG1 4.36Å; P202-V244 HydrophobicContact CG-CG2 4.27Å; G234-V244 CarbonylContact C-O 3.58Å; G234-V244 WeakPolarHBondContact CA-O 3.14Å; N235-V244 PolarHBondContact N-O 3.47Å; N235-V244 PolarHBondContact O-N 3.43Å; I237-V244 HydrophobicContact CD1-CG2 3.54Å; I237-V244 HydrophobicContact CG1-CG2 3.64Å; V244-Y248 HydrophobicContact CG1-CD1 3.98Å; V244-T249 HydrophobicContact CG1-CG2 3.66Å |
| 245 | P | 94.5 | Very high | 87.2 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.019 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 143 | 176.5 | -19.1 | 29.7 | 0 | 0 | 0 | 112.2 | V199 F243 C247 Y248 T249 | V199-P245 HydrophobicContact CB-CG 4.25Å; V199-P245 HydrophobicContact CG1-CG 3.69Å; V199-P245 WeakPolarHBondContact O-CB 2.88Å; V199-P245 WeakPolarHBondContact O-CG 3.38Å; F243-P245 HydrophobicContact CD1-CG 4.13Å; F243-P245 HydrophobicContact CE1-CB 4.08Å; F243-P245 HydrophobicContact CE1-CG 3.76Å; P245-C247 VanDerWaalsContact C-N 3.28Å; P245-C247 PolarHBondContact O-N 3.14Å; P245-Y248 WeakPolarHBondContact O-CB 3.43Å; P245-Y248 PolarHBondContact O-N 3.33Å; P245-Y248 VanDerWaalsContact O-N 3.14Å; P245-T249 PolarHBondContact O-N 2.75Å |
| 246 | K | 93 | Very high | 87.2 | Confident | 108 Ų | 108 | 61.9 Ų | 61.9 | 47% | 0.47 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.5 | -35.7 | 177.8 | -176.2 | 62.5 | -174.8 | 165.4 | 0 | 112.4 | Y233 Y248 T249 Y250 | Y233-K246 PolarHBondContact O-N 2.96Å; K246-Y248 VanDerWaalsContact C-N 3.26Å; K246-Y248 PolarHBondContact O-N 2.95Å; K246-T249 PolarHBondContact O-N 3.34Å; K246-T249 PolarHBondContact O-OG1 3.21Å; K246-Y250 WeakPolarHBondContact O-CB 3.34Å; K246-Y250 PolarHBondContact O-N 3.37Å |
| 247 | C | 92.8 | Very high | 87.2 | Confident | 71 Ų | 71 | 62.2 Ų | 62.2 | 48% | 0.48 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.6 | -33.7 | 177.1 | 59.1 | 0 | 0 | 0 | 0 | 112.6 | P245 A251 | P245-C247 VanDerWaalsContact C-N 3.28Å; P245-C247 PolarHBondContact O-N 3.14Å; C247-A251 WeakPolarHBondContact O-CB 3.48Å; C247-A251 PolarHBondContact O-N 2.88Å |
| 248 | Y | 91.5 | Very high | 87.6 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 18% | 0.184 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66 | -51.3 | 175.9 | -179.4 | -94.8 | 0 | 0 | 0 | 110.6 | I200 R201 P202 V244 P245 K246 Y250 A251 E252 | I200-Y248 WeakPolarHBondContact O-CD2 3.27Å; R201-Y248 HydrophobicContact CG-CD2 4.31Å; R201-Y248 HydrophobicContact CG-CE2 4.35Å; P202-Y248 HydrophobicContact CG-CD1 3.92Å; P202-Y248 HydrophobicContact CG-CE1 3.71Å; P202-Y248 HydrophobicContact CG-CG 4.42Å; V244-Y248 HydrophobicContact CG1-CD1 3.98Å; P245-Y248 WeakPolarHBondContact O-CB 3.43Å; P245-Y248 PolarHBondContact O-N 3.33Å; P245-Y248 VanDerWaalsContact O-N 3.14Å; K246-Y248 VanDerWaalsContact C-N 3.26Å; K246-Y248 PolarHBondContact O-N 2.95Å; Y248-Y250 VanDerWaalsContact C-N 3.3Å; Y248-Y250 PolarHBondContact O-N 2.82Å; Y248-A251 PolarHBondContact O-N 3.35Å; Y248-A251 VanDerWaalsContact O-N 3.13Å; Y248-E252 HydrophobicContact CD1-CG 4.4Å; Y248-E252 HydrophobicContact CE1-CG 3.99Å; Y248-E252 WeakPolarHBondContact CE1-OE1 3.13Å; Y248-E252 WeakPolarHBondContact CE1-OE2 3.37Å; Y248-E252 VanDerWaalsContact CZ-CD 3.49Å; Y248-E252 PolarHBondContact O-N 3.25Å; Y248-E252 PolarHBondContact OH-OE1 2.71Å |
| 249 | T | 89.7 | Confident | 88.4 | Confident | 32 Ų | 32 | 58.7 Ų | 58.7 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 176.3 | 53 | 0 | 0 | 0 | 0 | 111.9 | V244 P245 K246 A251 E252 D253 | V244-T249 HydrophobicContact CG1-CG2 3.66Å; P245-T249 PolarHBondContact O-N 2.75Å; K246-T249 PolarHBondContact O-N 3.34Å; K246-T249 PolarHBondContact O-OG1 3.21Å; T249-A251 VanDerWaalsContact C-N 3.34Å; T249-A251 PolarHBondContact O-N 3.25Å; T249-E252 PolarHBondContact O-N 2.95Å; T249-D253 PolarHBondContact O-N 2.9Å |
| 250 | Y | 91.3 | Very high | 89.4 | Confident | 153 Ų | 153 | 55.1 Ų | 55.1 | 60% | 0.6 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.4 | -39.7 | 177.7 | 177.5 | -94.2 | 0 | 0 | 0 | 112.3 | K246 Y248 T254 | K246-Y250 WeakPolarHBondContact O-CB 3.34Å; K246-Y250 PolarHBondContact O-N 3.37Å; Y248-Y250 VanDerWaalsContact C-N 3.3Å; Y248-Y250 PolarHBondContact O-N 2.82Å; Y250-T254 WeakPolarHBondContact CE1-OG1 3.48Å; Y250-T254 VanDerWaalsContact O-CB 3.25Å; Y250-T254 WeakPolarHBondContact O-CB 2.99Å; Y250-T254 PolarHBondContact O-N 2.58Å; Y250-T254 PolarHBondContact O-OG1 3.08Å |
| 251 | A | 90.5 | Very high | 90.3 | Very high | 56 Ų | 56 | 50.1 Ų | 50.1 | 46% | 0.463 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C247 Y248 T249 Y255 | C247-A251 WeakPolarHBondContact O-CB 3.48Å; C247-A251 PolarHBondContact O-N 2.88Å; Y248-A251 PolarHBondContact O-N 3.35Å; Y248-A251 VanDerWaalsContact O-N 3.13Å; T249-A251 VanDerWaalsContact C-N 3.34Å; T249-A251 PolarHBondContact O-N 3.25Å; A251-Y255 WeakPolarHBondContact O-CB 3.25Å; A251-Y255 PolarHBondContact O-N 3.12Å |
| 252 | E | 89.9 | Confident | 90.8 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 11% | 0.107 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.3 | -51 | 173.1 | -71.6 | -177.7 | 142.1 | 0 | 0 | 111.4 | Y248 T249 T254 Y255 I256 | Y248-E252 HydrophobicContact CD1-CG 4.4Å; Y248-E252 HydrophobicContact CE1-CG 3.99Å; Y248-E252 WeakPolarHBondContact CE1-OE1 3.13Å; Y248-E252 WeakPolarHBondContact CE1-OE2 3.37Å; Y248-E252 VanDerWaalsContact CZ-CD 3.49Å; Y248-E252 PolarHBondContact O-N 3.25Å; Y248-E252 PolarHBondContact OH-OE1 2.71Å; T249-E252 PolarHBondContact O-N 2.95Å; E252-T254 VanDerWaalsContact C-N 3.34Å; E252-T254 PolarHBondContact O-N 3.34Å; E252-Y255 PolarHBondContact O-N 3.42Å; E252-Y255 VanDerWaalsContact O-N 3.16Å; E252-I256 HydrophobicContact CB-CD1 4.49Å; E252-I256 WeakPolarHBondContact O-CB 3.4Å; E252-I256 WeakPolarHBondContact O-CD1 3.45Å; E252-I256 VanDerWaalsContact O-CG1 3.23Å; E252-I256 WeakPolarHBondContact O-CG1 3.41Å; E252-I256 PolarHBondContact O-N 3.13Å |
| 253 | D | 89.4 | Confident | 90.6 | Very high | 41 Ų | 41 | 58.2 Ų | 58.2 | 22% | 0.219 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.3 | -47.7 | 178.4 | -61.5 | -24.3 | 0 | 0 | 0 | 110.9 | T249 Y255 I256 N257 Y282 | T249-D253 PolarHBondContact O-N 2.9Å; D253-Y255 VanDerWaalsContact C-N 3.34Å; D253-Y255 PolarHBondContact O-N 2.94Å; D253-I256 PolarHBondContact O-N 3.16Å; D253-N257 VanDerWaalsContact O-CB 3.27Å; D253-N257 WeakPolarHBondContact O-CB 3.31Å; D253-N257 PolarHBondContact O-N 3.26Å; D253-Y282 WeakPolarHBondContact CA-OH 3.27Å; D253-Y282 WeakPolarHBondContact OD1-CE2 3.3Å; D253-Y282 PolarHBondContact OD1-OH 3.26Å |
| 254 | T | 91.7 | Very high | 90.3 | Very high | 59 Ų | 59 | 58.7 Ų | 58.7 | 36% | 0.362 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 178.2 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | Y250 E252 S258 | Y250-T254 WeakPolarHBondContact CE1-OG1 3.48Å; Y250-T254 VanDerWaalsContact O-CB 3.25Å; Y250-T254 WeakPolarHBondContact O-CB 2.99Å; Y250-T254 PolarHBondContact O-N 2.58Å; Y250-T254 PolarHBondContact O-OG1 3.08Å; E252-T254 VanDerWaalsContact C-N 3.34Å; E252-T254 PolarHBondContact O-N 3.34Å; T254-S258 WeakPolarHBondContact O-CB 3.36Å; T254-S258 PolarHBondContact O-N 3.04Å; T254-S258 PolarHBondContact O-OG 3.31Å |
| 255 | Y | 90.3 | Very high | 90.1 | Very high | 112 Ų | 112 | 59.5 Ų | 59.5 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.4 | -47.2 | 177.8 | 178.5 | -91.6 | 0 | 0 | 0 | 111.3 | A251 E252 D253 N257 S258 F259 Y270 | A251-Y255 WeakPolarHBondContact O-CB 3.25Å; A251-Y255 PolarHBondContact O-N 3.12Å; E252-Y255 PolarHBondContact O-N 3.42Å; E252-Y255 VanDerWaalsContact O-N 3.16Å; D253-Y255 VanDerWaalsContact C-N 3.34Å; D253-Y255 PolarHBondContact O-N 2.94Å; Y255-N257 VanDerWaalsContact C-N 3.32Å; Y255-N257 PolarHBondContact O-N 3.09Å; Y255-S258 PolarHBondContact O-N 3.44Å; Y255-F259 WeakPolarHBondContact O-CB 3.49Å; Y255-F259 PolarHBondContact O-N 2.98Å; Y255-Y270 HydrophobicContact CD1-CE1 4.41Å; Y255-Y270 AromaticContact CE1-CE1 3.68Å; Y255-Y270 HydrophobicContact CE1-CE1 3.68Å; Y255-Y270 AromaticContact CE1-CZ 3.86Å; Y255-Y270 VanDerWaalsContact CE1-OH 3.26Å; Y255-Y270 WeakPolarHBondContact CE1-OH 3.33Å; Y255-Y270 PolarHBondContact OH-OH 2.9Å |
| 256 | I | 90.5 | Very high | 89.9 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.015 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 179.8 | -66.6 | 158 | 0 | 0 | 0 | 110.2 | E252 D253 F259 Y260 V266 L271 L274 I276 Y282 L283 F287 | E252-I256 HydrophobicContact CB-CD1 4.49Å; E252-I256 WeakPolarHBondContact O-CB 3.4Å; E252-I256 WeakPolarHBondContact O-CD1 3.45Å; E252-I256 VanDerWaalsContact O-CG1 3.23Å; E252-I256 WeakPolarHBondContact O-CG1 3.41Å; E252-I256 PolarHBondContact O-N 3.13Å; D253-I256 PolarHBondContact O-N 3.16Å; I256-F259 PolarHBondContact O-N 3.33Å; I256-Y260 WeakPolarHBondContact O-CB 3.39Å; I256-Y260 PolarHBondContact O-N 3.34Å; I256-V266 HydrophobicContact CG2-CG2 4.33Å; I256-L271 HydrophobicContact CD1-CD2 3.32Å; I256-L271 HydrophobicContact CG1-CD2 3.81Å; I256-L271 HydrophobicContact CG2-CD2 4.31Å; I256-L274 HydrophobicContact CD1-CD1 4.23Å; I256-L274 HydrophobicContact CG1-CD1 4.34Å; I256-I276 HydrophobicContact CD1-CD1 3.81Å; I256-Y282 HydrophobicContact CD1-CE1 3.7Å; I256-Y282 VanDerWaalsContact CD1-OH 3.31Å; I256-Y282 WeakPolarHBondContact CD1-OH 3.39Å; I256-Y282 HydrophobicContact CG2-CE1 4.26Å; I256-L283 HydrophobicContact CG2-CD2 4.17Å; I256-F287 HydrophobicContact CG2-CE2 3.93Å; I256-F287 HydrophobicContact CG2-CZ 4.13Å |
| 257 | N | 90.5 | Very high | 89.6 | Confident | 69 Ų | 69 | 56.4 Ų | 56.4 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 174.8 | -165.5 | -45.9 | 0 | 0 | 0 | 112.2 | D253 Y255 Y260 S261 F287 | D253-N257 VanDerWaalsContact O-CB 3.27Å; D253-N257 WeakPolarHBondContact O-CB 3.31Å; D253-N257 PolarHBondContact O-N 3.26Å; Y255-N257 VanDerWaalsContact C-N 3.32Å; Y255-N257 PolarHBondContact O-N 3.09Å; N257-Y260 PolarHBondContact O-N 2.99Å; N257-S261 VanDerWaalsContact O-CB 3.3Å; N257-S261 WeakPolarHBondContact O-CB 3.48Å; N257-S261 PolarHBondContact O-N 2.81Å; N257-S261 PolarHBondContact O-OG 2.86Å; N257-S261 PolarHBondContact OD1-OG 3.26Å; N257-F287 HydrophobicContact CB-CE1 4.47Å; N257-F287 HydrophobicContact CB-CZ 4.42Å |
| 258 | S | 91 | Very high | 89.4 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 36% | 0.357 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | T254 Y255 S261 Q262 | T254-S258 WeakPolarHBondContact O-CB 3.36Å; T254-S258 PolarHBondContact O-N 3.04Å; T254-S258 PolarHBondContact O-OG 3.31Å; Y255-S258 PolarHBondContact O-N 3.44Å; S258-S261 PolarHBondContact O-N 3.38Å; S258-Q262 WeakPolarHBondContact O-CB 3.42Å; S258-Q262 VanDerWaalsContact O-CG 3.27Å; S258-Q262 WeakPolarHBondContact O-CG 3.23Å; S258-Q262 PolarHBondContact O-N 3.26Å |
| 259 | F | 89.9 | Confident | 89 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 21% | 0.211 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 177 | -174.9 | -84 | 0 | 0 | 0 | 111.5 | Y255 I256 S261 Q262 N263 Y265 V266 | Y255-F259 WeakPolarHBondContact O-CB 3.49Å; Y255-F259 PolarHBondContact O-N 2.98Å; I256-F259 PolarHBondContact O-N 3.33Å; F259-S261 VanDerWaalsContact C-N 3.32Å; F259-S261 PolarHBondContact O-N 3.03Å; F259-Q262 PolarHBondContact O-N 2.62Å; F259-N263 HydrophobicContact CD1-CB 4.45Å; F259-N263 WeakPolarHBondContact CD2-ND2 3.43Å; F259-N263 HydrophobicContact CE1-CB 4.17Å; F259-N263 WeakPolarHBondContact CE2-ND2 3.45Å; F259-N263 HydrophobicContact CZ-CB 4.39Å; F259-N263 VanDerWaalsContact CZ-ND2 3.33Å; F259-N263 WeakPolarHBondContact CZ-ND2 3.37Å; F259-N263 WeakPolarHBondContact O-CB 3.46Å; F259-N263 PolarHBondContact O-N 3.49Å; F259-N263 PolarHBondContact O-ND2 3.08Å; F259-Y265 VanDerWaalsContact CD1-O 3.27Å; F259-Y265 WeakPolarHBondContact CD1-O 3.47Å; F259-Y265 HydrophobicContact CE1-CE2 4.45Å; F259-Y265 WeakPolarHBondContact CE1-O 3.27Å; F259-V266 HydrophobicContact CD1-CG2 4.15Å |
| 260 | Y | 90 | Very high | 88.7 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 6% | 0.063 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 177.1 | 177 | -105 | 0 | 0 | 0 | 111.8 | I256 N257 G264 V266 F287 A290 N299 | I256-Y260 WeakPolarHBondContact O-CB 3.39Å; I256-Y260 PolarHBondContact O-N 3.34Å; N257-Y260 PolarHBondContact O-N 2.99Å; Y260-G264 WeakPolarHBondContact O-CA 3.43Å; Y260-G264 PolarHBondContact O-N 3.16Å; Y260-V266 HydrophobicContact CD2-CG2 4.02Å; Y260-V266 HydrophobicContact CG-CG2 4.33Å; Y260-F287 AromaticContact CD1-CD1 3.63Å; Y260-F287 HydrophobicContact CD1-CD1 3.63Å; Y260-F287 HydrophobicContact CD1-CD2 4.44Å; Y260-F287 AromaticContact CD1-CE1 3.53Å; Y260-F287 HydrophobicContact CD1-CE1 3.53Å; Y260-F287 HydrophobicContact CD1-CE2 4.35Å; Y260-F287 HydrophobicContact CD1-CG 4.1Å; Y260-F287 AromaticContact CD1-CZ 3.92Å; Y260-F287 HydrophobicContact CD1-CZ 3.92Å; Y260-F287 HydrophobicContact CD2-CD2 4.46Å; Y260-F287 HydrophobicContact CD2-CE2 4.47Å; Y260-F287 AromaticContact CE1-CD1 3.77Å; Y260-F287 HydrophobicContact CE1-CD1 3.77Å; Y260-F287 HydrophobicContact CE1-CE1 4.16Å; Y260-F287 HydrophobicContact CE1-CG 4.08Å; Y260-F287 HydrophobicContact CG-CD1 4.25Å; Y260-F287 HydrophobicContact CG-CD2 4.29Å; Y260-F287 AromaticContact CG-CE1 3.98Å; Y260-F287 HydrophobicContact CG-CE1 3.98Å; Y260-F287 HydrophobicContact CG-CE2 4.02Å; Y260-F287 HydrophobicContact CG-CG 4.4Å; Y260-F287 AromaticContact CG-CZ 3.87Å; Y260-F287 HydrophobicContact CG-CZ 3.87Å; Y260-A290 HydrophobicContact CE2-CB 4.33Å; Y260-A290 WeakPolarHBondContact OH-CB 3.34Å; Y260-N299 HydrophobicContact CE2-CB 3.87Å; Y260-N299 WeakPolarHBondContact OH-CA 3.32Å; Y260-N299 WeakPolarHBondContact OH-CB 3.33Å |
| 261 | S | 87.9 | Confident | 88.5 | Confident | 80 Ų | 80 | 51 Ų | 51 | 56% | 0.559 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -67.9 | -35.8 | 178.5 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | N257 S258 F259 | N257-S261 VanDerWaalsContact O-CB 3.3Å; N257-S261 WeakPolarHBondContact O-CB 3.48Å; N257-S261 PolarHBondContact O-N 2.81Å; N257-S261 PolarHBondContact O-OG 2.86Å; N257-S261 PolarHBondContact OD1-OG 3.26Å; S258-S261 PolarHBondContact O-N 3.38Å; F259-S261 VanDerWaalsContact C-N 3.32Å; F259-S261 PolarHBondContact O-N 3.03Å |
| 262 | Q | 87.2 | Confident | 88.3 | Confident | 157 Ų | 157 | 53.7 Ų | 53.7 | 73% | 0.734 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -81.1 | -44.1 | -179.6 | -72.6 | 175 | 10.1 | 0 | 0 | 112.9 | S258 F259 | S258-Q262 WeakPolarHBondContact O-CB 3.42Å; S258-Q262 VanDerWaalsContact O-CG 3.27Å; S258-Q262 WeakPolarHBondContact O-CG 3.23Å; S258-Q262 PolarHBondContact O-N 3.26Å; F259-Q262 PolarHBondContact O-N 2.62Å |
| 263 | N | 86.7 | Confident | 87.9 | Confident | 72 Ų | 72 | 60.7 Ų | 60.7 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -100 | -18.8 | -172.2 | -60.9 | -50.4 | 0 | 0 | 0 | 113.2 | F259 Y265 | F259-N263 HydrophobicContact CD1-CB 4.45Å; F259-N263 WeakPolarHBondContact CD2-ND2 3.43Å; F259-N263 HydrophobicContact CE1-CB 4.17Å; F259-N263 WeakPolarHBondContact CE2-ND2 3.45Å; F259-N263 HydrophobicContact CZ-CB 4.39Å; F259-N263 VanDerWaalsContact CZ-ND2 3.33Å; F259-N263 WeakPolarHBondContact CZ-ND2 3.37Å; F259-N263 WeakPolarHBondContact O-CB 3.46Å; F259-N263 PolarHBondContact O-N 3.49Å; F259-N263 PolarHBondContact O-ND2 3.08Å; N263-Y265 VanDerWaalsContact C-N 3.25Å; N263-Y265 HydrophobicContact CB-CD1 4.06Å; N263-Y265 HydrophobicContact CB-CE1 3.88Å; N263-Y265 VanDerWaalsContact O-CD1 3.32Å; N263-Y265 WeakPolarHBondContact O-CD1 3.36Å; N263-Y265 PolarHBondContact O-N 3.4Å |
| 264 | G | 86.7 | Confident | 87.5 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 9% | 0.093 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 75.1 | 5.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y260 N299 I302 | Y260-G264 WeakPolarHBondContact O-CA 3.43Å; Y260-G264 PolarHBondContact O-N 3.16Å; G264-N299 WeakPolarHBondContact O-CB 3.36Å; G264-N299 PolarHBondContact O-N 3.34Å; G264-I302 WeakPolarHBondContact O-CD1 3.31Å |
| 265 | Y | 87.9 | Confident | 86.8 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 15% | 0.153 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 163 | 175.2 | 71.5 | -84.3 | 0 | 0 | 0 | 111.7 | F259 N263 E267 L296 T297 P327 | F259-Y265 VanDerWaalsContact CD1-O 3.27Å; F259-Y265 WeakPolarHBondContact CD1-O 3.47Å; F259-Y265 HydrophobicContact CE1-CE2 4.45Å; F259-Y265 WeakPolarHBondContact CE1-O 3.27Å; N263-Y265 VanDerWaalsContact C-N 3.25Å; N263-Y265 HydrophobicContact CB-CD1 4.06Å; N263-Y265 HydrophobicContact CB-CE1 3.88Å; N263-Y265 VanDerWaalsContact O-CD1 3.32Å; N263-Y265 WeakPolarHBondContact O-CD1 3.36Å; N263-Y265 PolarHBondContact O-N 3.4Å; Y265-E267 HydrophobicContact CD2-CG 4.43Å; Y265-E267 HydrophobicContact CE2-CG 4.24Å; Y265-L296 HydrophobicContact CD2-CD1 3.83Å; Y265-L296 HydrophobicContact CG-CD1 4.41Å; Y265-T297 CarbonylContact C-O 3.59Å; Y265-T297 WeakPolarHBondContact CA-O 3.1Å; Y265-P327 HydrophobicContact CD1-CB 3.65Å; Y265-P327 HydrophobicContact CD1-CG 3.45Å; Y265-P327 VanDerWaalsContact CD1-CG 3.45Å; Y265-P327 HydrophobicContact CD2-CB 3.81Å; Y265-P327 HydrophobicContact CD2-CG 4.13Å; Y265-P327 HydrophobicContact CE1-CB 3.6Å; Y265-P327 HydrophobicContact CE1-CG 3.9Å; Y265-P327 HydrophobicContact CE2-CB 3.76Å; Y265-P327 HydrophobicContact CG-CB 3.76Å; Y265-P327 HydrophobicContact CG-CG 3.59Å |
| 266 | V | 89.3 | Confident | 86.4 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 124.8 | 172.1 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | I256 F259 Y260 L271 L283 F287 T297 | I256-V266 HydrophobicContact CG2-CG2 4.33Å; F259-V266 HydrophobicContact CD1-CG2 4.15Å; Y260-V266 HydrophobicContact CD2-CG2 4.02Å; Y260-V266 HydrophobicContact CG-CG2 4.33Å; V266-L271 HydrophobicContact CG1-CD1 3.92Å; V266-L271 HydrophobicContact CG1-CD2 4.46Å; V266-L271 HydrophobicContact CG1-CG 4.12Å; V266-L283 HydrophobicContact CB-CD1 4.31Å; V266-L283 HydrophobicContact CB-CD2 4.4Å; V266-L283 HydrophobicContact CG1-CD1 4.1Å; V266-L283 HydrophobicContact CG1-CD2 4.13Å; V266-F287 HydrophobicContact CG2-CE2 4.47Å; V266-T297 PolarHBondContact N-O 2.86Å; V266-T297 PolarHBondContact O-N 2.83Å |
| 267 | E | 87.8 | Confident | 85.8 | Confident | 43 Ų | 43 | 64.9 Ų | 64.9 | 20% | 0.201 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 134.5 | 173.7 | -68.8 | 167.9 | -154.9 | 0 | 0 | 111.8 | Y265 N269 Y270 L271 L296 G329 | Y265-E267 HydrophobicContact CD2-CG 4.43Å; Y265-E267 HydrophobicContact CE2-CG 4.24Å; E267-N269 VanDerWaalsContact C-N 3.31Å; E267-N269 PolarHBondContact O-N 3.18Å; E267-Y270 WeakPolarHBondContact O-CB 3.23Å; E267-Y270 PolarHBondContact O-N 3.06Å; E267-L271 PolarHBondContact O-N 2.9Å; E267-L296 HydrophobicContact CG-CD1 4.28Å; E267-G329 WeakPolarHBondContact OE1-CA 3.33Å |
| 268 | W | 87.7 | Confident | 85.6 | Confident | 39 Ų | 39 | 65.5 Ų | 65.5 | 15% | 0.148 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.2 | -30 | -179.6 | -66.2 | 16.1 | 0 | 0 | 0 | 112 | Y270 L271 K272 P279 S280 H292 L293 G295 T297 | W268-Y270 PolarHBondContact O-N 3.46Å; W268-L271 PolarHBondContact O-N 3.37Å; W268-K272 WeakPolarHBondContact O-CG 3.19Å; W268-K272 PolarHBondContact O-N 2.92Å; W268-P279 HydrophobicContact CB-CB 3.77Å; W268-P279 HydrophobicContact CB-CG 4.18Å; W268-P279 HydrophobicContact CD2-CB 4.15Å; W268-P279 HydrophobicContact CE3-CB 4.45Å; W268-P279 HydrophobicContact CG-CB 3.85Å; W268-S280 VanDerWaalsContact CH2-OG 3.27Å; W268-S280 WeakPolarHBondContact CH2-OG 3.33Å; W268-H292 HydrophobicContact CZ2-CB 4.4Å; W268-L293 WeakPolarHBondContact CZ2-O 3.27Å; W268-G295 WeakPolarHBondContact CB-O 3.33Å; W268-G295 VanDerWaalsContact CG-C 3.45Å; W268-G295 PolarHBondContact N-O 3.34Å; W268-T297 PolarHBondContact NE1-OG1 3.43Å; W268-T297 VanDerWaalsContact NE1-OG1 3.08Å |
| 269 | N | 84 | Confident | 85.4 | Confident | 84 Ų | 84 | 63.3 Ų | 63.3 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.9 | -30.8 | 174.9 | -71.9 | -27.4 | 0 | 0 | 0 | 112 | E267 R273 | E267-N269 VanDerWaalsContact C-N 3.31Å; E267-N269 PolarHBondContact O-N 3.18Å; N269-R273 WeakPolarHBondContact O-CG 3.48Å; N269-R273 PolarHBondContact O-N 3.14Å |
| 270 | Y | 83.5 | Confident | 85.3 | Confident | 67 Ų | 67 | 62 Ų | 62 | 26% | 0.263 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 173.1 | -170.7 | -95.5 | 0 | 0 | 0 | 111.6 | Y255 E267 W268 K272 R273 L274 | Y255-Y270 HydrophobicContact CD1-CE1 4.41Å; Y255-Y270 AromaticContact CE1-CE1 3.68Å; Y255-Y270 HydrophobicContact CE1-CE1 3.68Å; Y255-Y270 AromaticContact CE1-CZ 3.86Å; Y255-Y270 VanDerWaalsContact CE1-OH 3.26Å; Y255-Y270 WeakPolarHBondContact CE1-OH 3.33Å; Y255-Y270 PolarHBondContact OH-OH 2.9Å; E267-Y270 WeakPolarHBondContact O-CB 3.23Å; E267-Y270 PolarHBondContact O-N 3.06Å; W268-Y270 PolarHBondContact O-N 3.46Å; Y270-K272 PolarHBondContact O-N 3.38Å; Y270-R273 WeakPolarHBondContact O-CB 3.33Å; Y270-R273 PolarHBondContact O-N 3.34Å; Y270-R273 VanDerWaalsContact O-N 3.14Å; Y270-L274 HydrophobicContact CD1-CD1 4.09Å; Y270-L274 HydrophobicContact CE1-CD1 3.7Å; Y270-L274 HydrophobicContact CE1-CG 4.2Å; Y270-L274 PolarHBondContact O-N 3.47Å |
| 271 | L | 86.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 177 | -65.9 | 166.1 | 0 | 0 | 0 | 113.2 | I256 V266 E267 W268 R273 L274 N275 I276 P279 Y282 L283 | I256-L271 HydrophobicContact CD1-CD2 3.32Å; I256-L271 HydrophobicContact CG1-CD2 3.81Å; I256-L271 HydrophobicContact CG2-CD2 4.31Å; V266-L271 HydrophobicContact CG1-CD1 3.92Å; V266-L271 HydrophobicContact CG1-CD2 4.46Å; V266-L271 HydrophobicContact CG1-CG 4.12Å; E267-L271 PolarHBondContact O-N 2.9Å; W268-L271 PolarHBondContact O-N 3.37Å; L271-R273 PolarHBondContact O-N 3.48Å; L271-L274 CarbonylContact O-C 3.15Å; L271-L274 WeakPolarHBondContact O-CA 3.49Å; L271-L274 WeakPolarHBondContact O-CB 3.38Å; L271-L274 PolarHBondContact O-N 2.76Å; L271-N275 PolarHBondContact O-N 3.06Å; L271-I276 HydrophobicContact CB-CB 4.28Å; L271-I276 HydrophobicContact CB-CD1 4.38Å; L271-I276 HydrophobicContact CD2-CD1 3.64Å; L271-I276 WeakPolarHBondContact O-CB 3.18Å; L271-I276 PolarHBondContact O-N 3.21Å; L271-I276 VanDerWaalsContact O-N 3.08Å; L271-P279 HydrophobicContact CB-CB 4.04Å; L271-P279 HydrophobicContact CB-CG 4.05Å; L271-P279 HydrophobicContact CD1-CB 3.79Å; L271-Y282 HydrophobicContact CD1-CD1 4.44Å; L271-Y282 HydrophobicContact CD2-CD1 4.33Å; L271-Y282 HydrophobicContact CD2-CE1 4.15Å; L271-L283 HydrophobicContact CD1-CD1 3.4Å; L271-L283 VanDerWaalsContact CD1-CD1 3.4Å; L271-L283 HydrophobicContact CD1-CD2 3.77Å; L271-L283 HydrophobicContact CD1-CG 3.47Å; L271-L283 VanDerWaalsContact CD1-CG 3.47Å |
| 272 | K | 85 | Confident | 85.3 | Confident | 113 Ų | 113 | 62 Ų | 62 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.9 | -36.5 | 173.1 | -69.3 | 176.1 | -174.9 | 170 | 0 | 111.9 | W268 Y270 L274 N275 P279 | W268-K272 WeakPolarHBondContact O-CG 3.19Å; W268-K272 PolarHBondContact O-N 2.92Å; Y270-K272 PolarHBondContact O-N 3.38Å; K272-L274 VanDerWaalsContact C-N 3.29Å; K272-L274 PolarHBondContact O-N 3.27Å; K272-N275 PolarHBondContact O-N 3.08Å; K272-N275 VanDerWaalsContact O-N 3.12Å; K272-P279 HydrophobicContact CG-CG 3.75Å |
| 273 | R | 82.9 | Confident | 85.5 | Confident | 169 Ų | 169 | 54.5 Ų | 54.5 | 64% | 0.638 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -68 | -27.9 | 174.6 | -70.4 | -177 | -73.9 | -159.4 | -5.4 | 112.7 | N269 Y270 L271 N275 | N269-R273 WeakPolarHBondContact O-CG 3.48Å; N269-R273 PolarHBondContact O-N 3.14Å; Y270-R273 WeakPolarHBondContact O-CB 3.33Å; Y270-R273 PolarHBondContact O-N 3.34Å; Y270-R273 VanDerWaalsContact O-N 3.14Å; L271-R273 PolarHBondContact O-N 3.48Å; R273-N275 PolarHBondContact O-N 3.4Å |
| 274 | L | 79.6 | Confident | 85.6 | Confident | 35 Ų | 35 | 56.3 Ų | 56.3 | 18% | 0.183 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 13.3 | 171.2 | -62.6 | 179.5 | 0 | 0 | 0 | 113.2 | I256 Y270 L271 K272 I276 | I256-L274 HydrophobicContact CD1-CD1 4.23Å; I256-L274 HydrophobicContact CG1-CD1 4.34Å; Y270-L274 HydrophobicContact CD1-CD1 4.09Å; Y270-L274 HydrophobicContact CE1-CD1 3.7Å; Y270-L274 HydrophobicContact CE1-CG 4.2Å; Y270-L274 PolarHBondContact O-N 3.47Å; L271-L274 CarbonylContact O-C 3.15Å; L271-L274 WeakPolarHBondContact O-CA 3.49Å; L271-L274 WeakPolarHBondContact O-CB 3.38Å; L271-L274 PolarHBondContact O-N 2.76Å; K272-L274 VanDerWaalsContact C-N 3.29Å; K272-L274 PolarHBondContact O-N 3.27Å; L274-I276 PolarHBondContact O-N 3.42Å |
| 275 | N | 77 | Confident | 85.7 | Confident | 124 Ų | 124 | 61 Ų | 61 | 66% | 0.663 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 24.2 | -177.1 | -60 | -61.2 | 0 | 0 | 0 | 114.9 | L271 K272 R273 P277 | L271-N275 PolarHBondContact O-N 3.06Å; K272-N275 PolarHBondContact O-N 3.08Å; K272-N275 VanDerWaalsContact O-N 3.12Å; R273-N275 PolarHBondContact O-N 3.4Å; N275-P277 VanDerWaalsContact O-CD 3.27Å; N275-P277 WeakPolarHBondContact O-CD 3.38Å |
| 276 | I | 82.6 | Confident | 85.6 | Confident | 18 Ų | 18 | 62.5 Ų | 62.5 | 9% | 0.092 | 31% | 0.314 | C | S | . | . | trans | -85.8 | 108.5 | 168.8 | -62.1 | 168.1 | 0 | 0 | 0 | 107.7 | I256 L271 L274 Y282 | I256-I276 HydrophobicContact CD1-CD1 3.81Å; L271-I276 HydrophobicContact CB-CB 4.28Å; L271-I276 HydrophobicContact CB-CD1 4.38Å; L271-I276 HydrophobicContact CD2-CD1 3.64Å; L271-I276 WeakPolarHBondContact O-CB 3.18Å; L271-I276 PolarHBondContact O-N 3.21Å; L271-I276 VanDerWaalsContact O-N 3.08Å; L274-I276 PolarHBondContact O-N 3.42Å; I276-Y282 HydrophobicContact CD1-CD1 4.24Å; I276-Y282 HydrophobicContact CD1-CE1 4.08Å; I276-Y282 HydrophobicContact CD1-CE2 4.33Å; I276-Y282 HydrophobicContact CD1-CG 4.45Å; I276-Y282 HydrophobicContact CG2-CD1 4.44Å; I276-Y282 HydrophobicContact CG2-CD2 4.39Å; I276-Y282 HydrophobicContact CG2-CG 3.98Å | ||
| 277 | P | 77.4 | Confident | 85.7 | Confident | 127 Ų | 127 | 63 Ų | 63 | 83% | 0.825 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -73 | -35.3 | -169.9 | 28 | -34.4 | 0 | 0 | 0 | 113.1 | N275 P279 | N275-P277 VanDerWaalsContact O-CD 3.27Å; N275-P277 WeakPolarHBondContact O-CD 3.38Å; P277-P279 VanDerWaalsContact O-CD 3.31Å; P277-P279 WeakPolarHBondContact O-CD 3.41Å |
| 278 | D | 86.4 | Confident | 85.7 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 43% | 0.433 | 34% | 0.339 | S | S | . | . | trans | -116.9 | 86.3 | 175.1 | -171.3 | -2.7 | 0 | 0 | 0 | 110.8 | S280 S281 Y282 | D278-S280 PolarHBondContact O-N 2.95Å; D278-S280 WeakPolarHBondContact OD1-CB 3.3Å; D278-S280 PolarHBondContact OD1-N 3.21Å; D278-S281 WeakPolarHBondContact CB-OG 3.39Å; D278-S281 PolarHBondContact O-OG 3.43Å; D278-S281 PolarHBondContact OD1-N 3.49Å; D278-S281 WeakPolarHBondContact OD2-CB 3.08Å; D278-S281 PolarHBondContact OD2-OG 3.23Å; D278-Y282 WeakPolarHBondContact O-CB 3.38Å; D278-Y282 PolarHBondContact O-N 3.42Å | ||
| 279 | P | 86.8 | Confident | 85.6 | Confident | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.032 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.1 | -29.5 | 174.5 | -26.6 | 35.2 | 0 | 0 | 0 | 113.6 | W268 L271 K272 P277 L283 | W268-P279 HydrophobicContact CB-CB 3.77Å; W268-P279 HydrophobicContact CB-CG 4.18Å; W268-P279 HydrophobicContact CD2-CB 4.15Å; W268-P279 HydrophobicContact CE3-CB 4.45Å; W268-P279 HydrophobicContact CG-CB 3.85Å; L271-P279 HydrophobicContact CB-CB 4.04Å; L271-P279 HydrophobicContact CB-CG 4.05Å; L271-P279 HydrophobicContact CD1-CB 3.79Å; K272-P279 HydrophobicContact CG-CG 3.75Å; P277-P279 VanDerWaalsContact O-CD 3.31Å; P277-P279 WeakPolarHBondContact O-CD 3.41Å; P279-L283 WeakPolarHBondContact O-CB 3.26Å; P279-L283 WeakPolarHBondContact O-CG 3.39Å; P279-L283 PolarHBondContact O-N 3.33Å |
| 280 | S | 87.6 | Confident | 85.8 | Confident | 20 Ų | 20 | 65 Ų | 65 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.6 | -50.4 | -173.9 | -165.7 | 0 | 0 | 0 | 0 | 110.9 | W268 D278 Y282 K284 | W268-S280 VanDerWaalsContact CH2-OG 3.27Å; W268-S280 WeakPolarHBondContact CH2-OG 3.33Å; D278-S280 PolarHBondContact O-N 2.95Å; D278-S280 WeakPolarHBondContact OD1-CB 3.3Å; D278-S280 PolarHBondContact OD1-N 3.21Å; S280-Y282 VanDerWaalsContact C-N 3.32Å; S280-K284 WeakPolarHBondContact O-CB 3.22Å; S280-K284 WeakPolarHBondContact O-CD 3.13Å; S280-K284 VanDerWaalsContact O-CG 3.23Å; S280-K284 WeakPolarHBondContact O-CG 3.38Å; S280-K284 PolarHBondContact O-N 2.89Å; S280-K284 VanDerWaalsContact O-N 3.09Å; S280-K284 PolarHBondContact OG-NZ 2.89Å |
| 281 | S | 88.5 | Confident | 85.8 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 177.9 | 66.5 | 0 | 0 | 0 | 0 | 111.6 | D278 T285 | D278-S281 WeakPolarHBondContact CB-OG 3.39Å; D278-S281 PolarHBondContact O-OG 3.43Å; D278-S281 PolarHBondContact OD1-N 3.49Å; D278-S281 WeakPolarHBondContact OD2-CB 3.08Å; D278-S281 PolarHBondContact OD2-OG 3.23Å; S281-T285 PolarHBondContact O-N 3.17Å; S281-T285 PolarHBondContact O-OG1 2.89Å |
| 282 | Y | 89.9 | Confident | 85.8 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.1 | -55.4 | 178.6 | 176.4 | -94 | 0 | 0 | 0 | 111.3 | D253 I256 L271 I276 D278 S280 K284 T285 E286 | D253-Y282 WeakPolarHBondContact CA-OH 3.27Å; D253-Y282 WeakPolarHBondContact OD1-CE2 3.3Å; D253-Y282 PolarHBondContact OD1-OH 3.26Å; I256-Y282 HydrophobicContact CD1-CE1 3.7Å; I256-Y282 VanDerWaalsContact CD1-OH 3.31Å; I256-Y282 WeakPolarHBondContact CD1-OH 3.39Å; I256-Y282 HydrophobicContact CG2-CE1 4.26Å; L271-Y282 HydrophobicContact CD1-CD1 4.44Å; L271-Y282 HydrophobicContact CD2-CD1 4.33Å; L271-Y282 HydrophobicContact CD2-CE1 4.15Å; I276-Y282 HydrophobicContact CD1-CD1 4.24Å; I276-Y282 HydrophobicContact CD1-CE1 4.08Å; I276-Y282 HydrophobicContact CD1-CE2 4.33Å; I276-Y282 HydrophobicContact CD1-CG 4.45Å; I276-Y282 HydrophobicContact CG2-CD1 4.44Å; I276-Y282 HydrophobicContact CG2-CD2 4.39Å; I276-Y282 HydrophobicContact CG2-CG 3.98Å; D278-Y282 WeakPolarHBondContact O-CB 3.38Å; D278-Y282 PolarHBondContact O-N 3.42Å; S280-Y282 VanDerWaalsContact C-N 3.32Å; Y282-K284 VanDerWaalsContact C-N 3.32Å; Y282-K284 PolarHBondContact O-N 2.86Å; Y282-T285 WeakPolarHBondContact O-CB 3.33Å; Y282-T285 PolarHBondContact O-N 3.4Å; Y282-T285 VanDerWaalsContact O-N 3.08Å; Y282-E286 HydrophobicContact CD1-CG 4.44Å; Y282-E286 HydrophobicContact CE1-CG 3.94Å; Y282-E286 HydrophobicContact CE2-CG 4.09Å; Y282-E286 PolarHBondContact O-N 3.01Å |
| 283 | L | 90.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.7 | -29.7 | -177.8 | -70.6 | 179.1 | 0 | 0 | 0 | 113.7 | I256 V266 L271 P279 T285 F287 H292 T297 | I256-L283 HydrophobicContact CG2-CD2 4.17Å; V266-L283 HydrophobicContact CB-CD1 4.31Å; V266-L283 HydrophobicContact CB-CD2 4.4Å; V266-L283 HydrophobicContact CG1-CD1 4.1Å; V266-L283 HydrophobicContact CG1-CD2 4.13Å; L271-L283 HydrophobicContact CD1-CD1 3.4Å; L271-L283 VanDerWaalsContact CD1-CD1 3.4Å; L271-L283 HydrophobicContact CD1-CD2 3.77Å; L271-L283 HydrophobicContact CD1-CG 3.47Å; L271-L283 VanDerWaalsContact CD1-CG 3.47Å; P279-L283 WeakPolarHBondContact O-CB 3.26Å; P279-L283 WeakPolarHBondContact O-CG 3.39Å; P279-L283 PolarHBondContact O-N 3.33Å; L283-T285 VanDerWaalsContact C-N 3.26Å; L283-T285 PolarHBondContact O-N 2.97Å; L283-F287 HydrophobicContact CD2-CD2 3.76Å; L283-F287 HydrophobicContact CD2-CE2 3.65Å; L283-F287 WeakPolarHBondContact O-CA 3.4Å; L283-F287 PolarHBondContact O-N 2.83Å; L283-H292 PolarHBondContact O-CE1 3.25Å; L283-T297 HydrophobicContact CD1-CG2 4.46Å; L283-T297 WeakPolarHBondContact CD1-OG1 3.19Å |
| 284 | K | 89 | Confident | 85.5 | Confident | 110 Ų | 110 | 60.2 Ų | 60.2 | 48% | 0.478 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67 | -30 | 173.3 | -78.3 | 169.8 | 179.6 | 166 | 0 | 112.7 | S280 Y282 H292 | S280-K284 WeakPolarHBondContact O-CB 3.22Å; S280-K284 WeakPolarHBondContact O-CD 3.13Å; S280-K284 VanDerWaalsContact O-CG 3.23Å; S280-K284 WeakPolarHBondContact O-CG 3.38Å; S280-K284 PolarHBondContact O-N 2.89Å; S280-K284 VanDerWaalsContact O-N 3.09Å; S280-K284 PolarHBondContact OG-NZ 2.89Å; Y282-K284 VanDerWaalsContact C-N 3.32Å; Y282-K284 PolarHBondContact O-N 2.86Å; K284-H292 WeakPolarHBondContact CG-NE2 3.21Å |
| 285 | T | 89.2 | Confident | 85.6 | Confident | 108 Ų | 108 | 59.3 Ų | 59.3 | 66% | 0.663 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -79.1 | -44.6 | 177.4 | -52.1 | 0 | 0 | 0 | 0 | 110.4 | S281 Y282 L283 | S281-T285 PolarHBondContact O-N 3.17Å; S281-T285 PolarHBondContact O-OG1 2.89Å; Y282-T285 WeakPolarHBondContact O-CB 3.33Å; Y282-T285 PolarHBondContact O-N 3.4Å; Y282-T285 VanDerWaalsContact O-N 3.08Å; L283-T285 VanDerWaalsContact C-N 3.26Å; L283-T285 PolarHBondContact O-N 2.97Å |
| 286 | E | 86.9 | Confident | 86 | Confident | 70 Ų | 70 | 53.5 Ų | 53.5 | 33% | 0.327 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.3 | -39.5 | 179.9 | -70.6 | -59.2 | 124 | 0 | 0 | 113.2 | Y282 | Y282-E286 HydrophobicContact CD1-CG 4.44Å; Y282-E286 HydrophobicContact CE1-CG 3.94Å; Y282-E286 HydrophobicContact CE2-CG 4.09Å; Y282-E286 PolarHBondContact O-N 3.01Å |
| 287 | F | 90.6 | Very high | 86.3 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 6% | 0.057 | 31% | 0.31 | C | S | . | . | trans | -128.2 | 72.1 | -177.6 | -47.5 | -61.5 | 0 | 0 | 0 | 112.6 | I256 N257 Y260 V266 L283 S289 A290 H292 | I256-F287 HydrophobicContact CG2-CE2 3.93Å; I256-F287 HydrophobicContact CG2-CZ 4.13Å; N257-F287 HydrophobicContact CB-CE1 4.47Å; N257-F287 HydrophobicContact CB-CZ 4.42Å; Y260-F287 AromaticContact CD1-CD1 3.63Å; Y260-F287 HydrophobicContact CD1-CD1 3.63Å; Y260-F287 HydrophobicContact CD1-CD2 4.44Å; Y260-F287 AromaticContact CD1-CE1 3.53Å; Y260-F287 HydrophobicContact CD1-CE1 3.53Å; Y260-F287 HydrophobicContact CD1-CE2 4.35Å; Y260-F287 HydrophobicContact CD1-CG 4.1Å; Y260-F287 AromaticContact CD1-CZ 3.92Å; Y260-F287 HydrophobicContact CD1-CZ 3.92Å; Y260-F287 HydrophobicContact CD2-CD2 4.46Å; Y260-F287 HydrophobicContact CD2-CE2 4.47Å; Y260-F287 AromaticContact CE1-CD1 3.77Å; Y260-F287 HydrophobicContact CE1-CD1 3.77Å; Y260-F287 HydrophobicContact CE1-CE1 4.16Å; Y260-F287 HydrophobicContact CE1-CG 4.08Å; Y260-F287 HydrophobicContact CG-CD1 4.25Å; Y260-F287 HydrophobicContact CG-CD2 4.29Å; Y260-F287 AromaticContact CG-CE1 3.98Å; Y260-F287 HydrophobicContact CG-CE1 3.98Å; Y260-F287 HydrophobicContact CG-CE2 4.02Å; Y260-F287 HydrophobicContact CG-CG 4.4Å; Y260-F287 AromaticContact CG-CZ 3.87Å; Y260-F287 HydrophobicContact CG-CZ 3.87Å; V266-F287 HydrophobicContact CG2-CE2 4.47Å; L283-F287 HydrophobicContact CD2-CD2 3.76Å; L283-F287 HydrophobicContact CD2-CE2 3.65Å; L283-F287 WeakPolarHBondContact O-CA 3.4Å; L283-F287 PolarHBondContact O-N 2.83Å; F287-S289 PolarHBondContact O-N 2.78Å; F287-A290 HydrophobicContact CB-CB 3.73Å; F287-A290 WeakPolarHBondContact O-CB 3.12Å; F287-A290 PolarHBondContact O-N 3.14Å; F287-H292 PolarHBondContact O-NE2 2.9Å | ||
| 288 | P | 87 | Confident | 86.8 | Confident | 104 Ų | 104 | 46.6 Ų | 46.6 | 68% | 0.675 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -27.1 | -177.2 | -23 | 33.4 | 0 | 0 | 0 | 114.7 | A290 | P288-A290 VanDerWaalsContact C-N 3.33Š|
| 289 | S | 85.7 | Confident | 86.9 | Confident | 95 Ų | 95 | 44.2 Ų | 44.2 | 66% | 0.664 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -1 | 179.5 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | F287 | F287-S289 PolarHBondContact O-N 2.78Š|
| 290 | A | 87.7 | Confident | 86.9 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -82.5 | 159.9 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y260 F287 P288 T297 | Y260-A290 HydrophobicContact CE2-CB 4.33Å; Y260-A290 WeakPolarHBondContact OH-CB 3.34Å; F287-A290 HydrophobicContact CB-CB 3.73Å; F287-A290 WeakPolarHBondContact O-CB 3.12Å; F287-A290 PolarHBondContact O-N 3.14Å; P288-A290 VanDerWaalsContact C-N 3.33Å; A290-T297 HydrophobicContact CB-CG2 3.46Å; A290-T297 VanDerWaalsContact CB-CG2 3.46Å |
| 291 | I | 85.2 | Confident | 86.8 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 32% | 0.318 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 117.4 | 175 | -61.1 | 167.7 | 0 | 0 | 0 | 107.9 | L293 T297 V298 P300 V303 | I291-L293 HydrophobicContact CG2-CD2 4.48Å; I291-L293 HydrophobicContact CG2-CG 4.39Å; I291-T297 CarbonylContact O-C 3.52Å; I291-T297 WeakPolarHBondContact O-CA 3.14Å; I291-V298 PolarHBondContact N-O 2.84Å; I291-V298 PolarHBondContact O-N 2.87Å; I291-P300 HydrophobicContact CD1-CB 4.36Å; I291-V303 HydrophobicContact CD1-CB 4.05Å; I291-V303 HydrophobicContact CD1-CG1 4.38Å; I291-V303 HydrophobicContact CD1-CG2 3.56Å |
| 292 | H | 87.1 | Confident | 86.6 | Confident | 50 Ų | 50 | 48.3 Ų | 48.3 | 23% | 0.231 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 102.5 | -177.9 | -55.5 | -70 | 0 | 0 | 0 | 110.8 | W268 L283 K284 F287 T297 | W268-H292 HydrophobicContact CZ2-CB 4.4Å; L283-H292 PolarHBondContact O-CE1 3.25Å; K284-H292 WeakPolarHBondContact CG-NE2 3.21Å; F287-H292 PolarHBondContact O-NE2 2.9Å; H292-T297 VanDerWaalsContact ND1-CG2 3.3Å; H292-T297 WeakPolarHBondContact ND1-CG2 3.27Å; H292-T297 PolarHBondContact ND1-OG1 2.81Å |
| 293 | L | 81.9 | Confident | 86.4 | Confident | 34 Ų | 34 | 47 Ų | 47 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 158.9 | 171 | -62.2 | 173.6 | 0 | 0 | 0 | 110 | W268 I291 G295 L296 L338 | W268-L293 WeakPolarHBondContact CZ2-O 3.27Å; I291-L293 HydrophobicContact CG2-CD2 4.48Å; I291-L293 HydrophobicContact CG2-CG 4.39Å; L293-G295 PolarHBondContact O-N 2.74Å; L293-L296 CarbonylContact C-O 3.51Å; L293-L296 WeakPolarHBondContact CA-O 3.37Å; L293-L296 HydrophobicContact CB-CB 4.47Å; L293-L296 HydrophobicContact CD1-CD2 4.45Å; L293-L296 PolarHBondContact N-O 2.97Å; L293-L296 PolarHBondContact O-N 3.03Å; L293-L296 VanDerWaalsContact O-N 3.14Å; L293-L338 HydrophobicContact CD1-CB 3.81Å; L293-L338 HydrophobicContact CD1-CD1 3.72Å; L293-L338 HydrophobicContact CD1-CG 4.34Å |
| 294 | P | 79.6 | Confident | 86.2 | Confident | 102 Ų | 102 | 51 Ų | 51 | 66% | 0.662 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 112.5 | 173.4 | -18.8 | 31.2 | 0 | 0 | 0 | 109.9 | ||
| 295 | G | 80.8 | Confident | 86.1 | Confident | 16 Ų | 16 | 51 Ų | 51 | 17% | 0.165 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -14.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | W268 L293 | W268-G295 WeakPolarHBondContact CB-O 3.33Å; W268-G295 VanDerWaalsContact CG-C 3.45Å; W268-G295 PolarHBondContact N-O 3.34Å; L293-G295 PolarHBondContact O-N 2.74Å |
| 296 | L | 85.8 | Confident | 86 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 136.7 | -171.9 | -177.8 | 71.6 | 0 | 0 | 0 | 112.3 | Y265 E267 L293 V298 L330 | Y265-L296 HydrophobicContact CD2-CD1 3.83Å; Y265-L296 HydrophobicContact CG-CD1 4.41Å; E267-L296 HydrophobicContact CG-CD1 4.28Å; L293-L296 CarbonylContact C-O 3.51Å; L293-L296 WeakPolarHBondContact CA-O 3.37Å; L293-L296 HydrophobicContact CB-CB 4.47Å; L293-L296 HydrophobicContact CD1-CD2 4.45Å; L293-L296 PolarHBondContact N-O 2.97Å; L293-L296 PolarHBondContact O-N 3.03Å; L293-L296 VanDerWaalsContact O-N 3.14Å; L296-V298 HydrophobicContact CD1-CG2 4.42Å; L296-V298 HydrophobicContact CD2-CG2 3.18Å; L296-V298 HydrophobicContact CG-CG2 3.56Å; L296-L330 HydrophobicContact CB-CD2 4.03Å; L296-L330 HydrophobicContact CD1-CD2 3.56Å; L296-L330 HydrophobicContact CD2-CD1 3.65Å; L296-L330 HydrophobicContact CD2-CD2 3.29Å; L296-L330 HydrophobicContact CD2-CG 4.07Å; L296-L330 HydrophobicContact CG-CD2 3.76Å |
| 297 | T | 88.4 | Confident | 86 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.7 | 165.9 | -63.8 | 0 | 0 | 0 | 0 | 109.6 | Y265 V266 W268 L283 A290 I291 H292 | Y265-T297 CarbonylContact C-O 3.59Å; Y265-T297 WeakPolarHBondContact CA-O 3.1Å; V266-T297 PolarHBondContact N-O 2.86Å; V266-T297 PolarHBondContact O-N 2.83Å; W268-T297 PolarHBondContact NE1-OG1 3.43Å; W268-T297 VanDerWaalsContact NE1-OG1 3.08Å; L283-T297 HydrophobicContact CD1-CG2 4.46Å; L283-T297 WeakPolarHBondContact CD1-OG1 3.19Å; A290-T297 HydrophobicContact CB-CG2 3.46Å; A290-T297 VanDerWaalsContact CB-CG2 3.46Å; I291-T297 CarbonylContact O-C 3.52Å; I291-T297 WeakPolarHBondContact O-CA 3.14Å; H292-T297 VanDerWaalsContact ND1-CG2 3.3Å; H292-T297 WeakPolarHBondContact ND1-CG2 3.27Å; H292-T297 PolarHBondContact ND1-OG1 2.81Å |
| 298 | V | 87.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 140.7 | -174.8 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | I291 L296 I302 L338 | I291-V298 PolarHBondContact N-O 2.84Å; I291-V298 PolarHBondContact O-N 2.87Å; L296-V298 HydrophobicContact CD1-CG2 4.42Å; L296-V298 HydrophobicContact CD2-CG2 3.18Å; L296-V298 HydrophobicContact CG-CG2 3.56Å; V298-I302 HydrophobicContact CG1-CB 3.85Å; V298-I302 HydrophobicContact CG1-CD1 3.84Å; V298-I302 HydrophobicContact CG1-CG1 4.33Å; V298-I302 HydrophobicContact CG1-CG2 4.12Å; V298-L338 HydrophobicContact CG2-CD1 4.45Å |
| 299 | N | 88.6 | Confident | 86 | Confident | 31 Ų | 31 | 47.4 Ų | 47.4 | 17% | 0.166 | 27% | 0.269 | C | S | . | . | trans | -67.9 | 129.8 | 172.4 | -171.8 | -39.1 | 0 | 0 | 0 | 110 | Y260 G264 L301 I302 | Y260-N299 HydrophobicContact CE2-CB 3.87Å; Y260-N299 WeakPolarHBondContact OH-CA 3.32Å; Y260-N299 WeakPolarHBondContact OH-CB 3.33Å; G264-N299 WeakPolarHBondContact O-CB 3.36Å; G264-N299 PolarHBondContact O-N 3.34Å; N299-L301 PolarHBondContact O-N 3.46Å; N299-L301 WeakPolarHBondContact OD1-CB 3.39Å; N299-L301 WeakPolarHBondContact OD1-CG 3.2Å; N299-L301 PolarHBondContact OD1-N 2.93Å; N299-I302 PolarHBondContact O-N 3.35Å | ||
| 300 | P | 87 | Confident | 86.1 | Confident | 39 Ų | 39 | 43.6 Ų | 43.6 | 25% | 0.253 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.1 | -26.3 | 179.9 | 22.9 | -35.9 | 0 | 0 | 0 | 113.5 | I291 I302 V303 D304 | I291-P300 HydrophobicContact CD1-CB 4.36Å; P300-I302 VanDerWaalsContact C-N 3.25Å; P300-I302 PolarHBondContact O-N 2.99Å; P300-V303 WeakPolarHBondContact O-CB 3.36Å; P300-V303 PolarHBondContact O-N 3.48Å; P300-D304 PolarHBondContact O-N 3.29Å |
| 301 | L | 86.3 | Confident | 86.1 | Confident | 110 Ų | 110 | 46.5 Ų | 46.5 | 58% | 0.576 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -57.8 | -35.9 | 175.1 | -67.7 | 176.4 | 0 | 0 | 0 | 113 | N299 V303 D304 Q305 | N299-L301 PolarHBondContact O-N 3.46Å; N299-L301 WeakPolarHBondContact OD1-CB 3.39Å; N299-L301 WeakPolarHBondContact OD1-CG 3.2Å; N299-L301 PolarHBondContact OD1-N 2.93Å; L301-V303 VanDerWaalsContact C-N 3.32Å; L301-D304 PolarHBondContact O-N 3.16Å; L301-Q305 WeakPolarHBondContact O-CB 3.23Å; L301-Q305 VanDerWaalsContact O-CG 3.23Å; L301-Q305 WeakPolarHBondContact O-CG 3.23Å; L301-Q305 PolarHBondContact O-N 3.35Å |
| 302 | I | 84.5 | Confident | 86.3 | Confident | 20 Ų | 20 | 44 Ų | 44 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66 | -40.8 | 176.3 | -64.9 | 177.2 | 0 | 0 | 0 | 109.7 | G264 V298 N299 P300 Q305 L306 | G264-I302 WeakPolarHBondContact O-CD1 3.31Å; V298-I302 HydrophobicContact CG1-CB 3.85Å; V298-I302 HydrophobicContact CG1-CD1 3.84Å; V298-I302 HydrophobicContact CG1-CG1 4.33Å; V298-I302 HydrophobicContact CG1-CG2 4.12Å; N299-I302 PolarHBondContact O-N 3.35Å; P300-I302 VanDerWaalsContact C-N 3.25Å; P300-I302 PolarHBondContact O-N 2.99Å; I302-Q305 WeakPolarHBondContact O-CB 3.4Å; I302-Q305 PolarHBondContact O-N 3.04Å; I302-L306 HydrophobicContact CG2-CD1 4.29Å; I302-L306 VanDerWaalsContact O-CG 3.31Å; I302-L306 WeakPolarHBondContact O-CG 3.4Å; I302-L306 PolarHBondContact O-N 3.18Å |
| 303 | V | 83.9 | Confident | 86.4 | Confident | 12 Ų | 12 | 41.9 Ų | 41.9 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 177.9 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | I291 P300 L301 L306 K307 L338 L342 | I291-V303 HydrophobicContact CD1-CB 4.05Å; I291-V303 HydrophobicContact CD1-CG1 4.38Å; I291-V303 HydrophobicContact CD1-CG2 3.56Å; P300-V303 WeakPolarHBondContact O-CB 3.36Å; P300-V303 PolarHBondContact O-N 3.48Å; L301-V303 VanDerWaalsContact C-N 3.32Å; V303-L306 PolarHBondContact O-N 3.19Å; V303-K307 WeakPolarHBondContact O-CG 3.45Å; V303-K307 PolarHBondContact O-N 3.46Å; V303-L338 HydrophobicContact CG2-CD1 4.06Å; V303-L342 HydrophobicContact CG1-CD1 4.26Å; V303-L342 HydrophobicContact CG1-CD2 3.93Å |
| 304 | D | 87.1 | Confident | 86.7 | Confident | 84 Ų | 84 | 42.5 Ų | 42.5 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.8 | -34.6 | 177.2 | -68 | -25.5 | 0 | 0 | 0 | 112.2 | P300 L301 K307 S308 | P300-D304 PolarHBondContact O-N 3.29Å; L301-D304 PolarHBondContact O-N 3.16Å; D304-K307 PolarHBondContact O-N 3.03Å; D304-K307 IonicContact OD1-NZ 3.64Å; D304-K307 PolarHBondContact OD1-NZ 2.88Å; D304-S308 WeakPolarHBondContact O-CB 3.31Å; D304-S308 PolarHBondContact O-N 2.71Å |
| 305 | Q | 87.4 | Confident | 87.2 | Confident | 109 Ų | 109 | 45.9 Ų | 45.9 | 51% | 0.509 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -48.7 | 168.7 | -75.9 | 173.9 | -0.1 | 0 | 0 | 111.2 | L301 I302 K307 S308 L309 | L301-Q305 WeakPolarHBondContact O-CB 3.23Å; L301-Q305 VanDerWaalsContact O-CG 3.23Å; L301-Q305 WeakPolarHBondContact O-CG 3.23Å; L301-Q305 PolarHBondContact O-N 3.35Å; I302-Q305 WeakPolarHBondContact O-CB 3.4Å; I302-Q305 PolarHBondContact O-N 3.04Å; Q305-K307 VanDerWaalsContact C-N 3.34Å; Q305-K307 PolarHBondContact O-N 2.88Å; Q305-S308 CarbonylContact O-C 3.54Å; Q305-S308 WeakPolarHBondContact O-CA 3.08Å; Q305-S308 WeakPolarHBondContact O-CB 3.5Å; Q305-S308 PolarHBondContact O-N 3.02Å; Q305-L309 WeakPolarHBondContact O-CG 3.32Å; Q305-L309 PolarHBondContact O-N 3.45Å |
| 306 | L | 87.1 | Confident | 87.5 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 177 | -71.6 | 173.6 | 0 | 0 | 0 | 111.8 | I302 V303 S308 L309 I310 L322 L338 L342 | I302-L306 HydrophobicContact CG2-CD1 4.29Å; I302-L306 VanDerWaalsContact O-CG 3.31Å; I302-L306 WeakPolarHBondContact O-CG 3.4Å; I302-L306 PolarHBondContact O-N 3.18Å; V303-L306 PolarHBondContact O-N 3.19Å; L306-S308 VanDerWaalsContact C-N 3.31Å; L306-S308 PolarHBondContact O-N 3.05Å; L306-L309 PolarHBondContact O-N 2.93Å; L306-I310 WeakPolarHBondContact O-CD1 3.44Å; L306-I310 VanDerWaalsContact O-CG1 3.25Å; L306-I310 WeakPolarHBondContact O-CG1 3.4Å; L306-I310 PolarHBondContact O-N 3.32Å; L306-L322 HydrophobicContact CD2-CD2 4.11Å; L306-L338 HydrophobicContact CD1-CD2 4.43Å; L306-L342 HydrophobicContact CB-CD1 3.99Å; L306-L342 HydrophobicContact CD1-CD1 4.17Å |
| 307 | K | 87.2 | Confident | 87.5 | Confident | 97 Ų | 97 | 51.5 Ų | 51.5 | 42% | 0.422 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 173.7 | -72.1 | 172.7 | -169.8 | 157.6 | 0 | 112.3 | V303 D304 Q305 S311 L342 | V303-K307 WeakPolarHBondContact O-CG 3.45Å; V303-K307 PolarHBondContact O-N 3.46Å; D304-K307 PolarHBondContact O-N 3.03Å; D304-K307 IonicContact OD1-NZ 3.64Å; D304-K307 PolarHBondContact OD1-NZ 2.88Å; Q305-K307 VanDerWaalsContact C-N 3.34Å; Q305-K307 PolarHBondContact O-N 2.88Å; K307-S311 WeakPolarHBondContact O-CB 3.41Å; K307-S311 PolarHBondContact O-N 3.36Å; K307-S311 PolarHBondContact O-OG 3.4Å; K307-L342 HydrophobicContact CG-CD2 4.15Å |
| 308 | S | 88 | Confident | 87.5 | Confident | 82 Ų | 82 | 53.2 Ų | 53.2 | 57% | 0.573 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.4 | -40.7 | 176.2 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | D304 Q305 L306 S311 G312 | D304-S308 WeakPolarHBondContact O-CB 3.31Å; D304-S308 PolarHBondContact O-N 2.71Å; Q305-S308 CarbonylContact O-C 3.54Å; Q305-S308 WeakPolarHBondContact O-CA 3.08Å; Q305-S308 WeakPolarHBondContact O-CB 3.5Å; Q305-S308 PolarHBondContact O-N 3.02Å; L306-S308 VanDerWaalsContact C-N 3.31Å; L306-S308 PolarHBondContact O-N 3.05Å; S308-S311 PolarHBondContact O-N 3.19Å; S308-G312 PolarHBondContact O-N 3.28Å |
| 309 | L | 88.4 | Confident | 87.5 | Confident | 34 Ų | 34 | 56.3 Ų | 56.3 | 18% | 0.178 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66 | -46.2 | 176.5 | -66.1 | 177.3 | 0 | 0 | 0 | 111.8 | Q305 L306 S311 G312 V313 I320 L322 Y325 | Q305-L309 WeakPolarHBondContact O-CG 3.32Å; Q305-L309 PolarHBondContact O-N 3.45Å; L306-L309 PolarHBondContact O-N 2.93Å; L309-S311 VanDerWaalsContact C-N 3.29Å; L309-S311 PolarHBondContact O-N 3.31Å; L309-G312 WeakPolarHBondContact O-CA 3.35Å; L309-G312 PolarHBondContact O-N 3.28Å; L309-G312 VanDerWaalsContact O-N 3.09Å; L309-V313 WeakPolarHBondContact O-CG2 3.4Å; L309-V313 PolarHBondContact O-N 2.97Å; L309-I320 HydrophobicContact CB-CD1 4.37Å; L309-I320 HydrophobicContact CD1-CD1 4.21Å; L309-I320 HydrophobicContact CD2-CD1 3.69Å; L309-I320 HydrophobicContact CG-CD1 4.29Å; L309-L322 HydrophobicContact CD1-CD2 4.32Å; L309-Y325 HydrophobicContact CD1-CD1 3.51Å; L309-Y325 HydrophobicContact CD1-CD2 3.66Å; L309-Y325 HydrophobicContact CD1-CE1 3.6Å; L309-Y325 HydrophobicContact CD1-CE2 3.75Å; L309-Y325 HydrophobicContact CD1-CG 3.52Å; L309-Y325 HydrophobicContact CD2-CE1 4.38Å |
| 310 | I | 88 | Confident | 87.4 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 8% | 0.077 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.2 | -47.6 | 175 | -66.6 | 160.4 | 0 | 0 | 0 | 109.8 | L306 G312 V313 V314 L342 L343 A346 V348 L355 | L306-I310 WeakPolarHBondContact O-CD1 3.44Å; L306-I310 VanDerWaalsContact O-CG1 3.25Å; L306-I310 WeakPolarHBondContact O-CG1 3.4Å; L306-I310 PolarHBondContact O-N 3.32Å; I310-G312 VanDerWaalsContact C-N 3.29Å; I310-G312 PolarHBondContact O-N 2.87Å; I310-V313 PolarHBondContact O-N 3.36Å; I310-V314 VanDerWaalsContact O-CG2 3.27Å; I310-V314 WeakPolarHBondContact O-CG2 3.25Å; I310-V314 PolarHBondContact O-N 3.02Å; I310-L342 HydrophobicContact CD1-CB 3.83Å; I310-L343 HydrophobicContact CD1-CD2 4.01Å; I310-L343 HydrophobicContact CG1-CD2 4.33Å; I310-A346 HydrophobicContact CG2-CB 3.86Å; I310-V348 HydrophobicContact CG2-CG2 4.3Å; I310-L355 HydrophobicContact CB-CD2 4.25Å; I310-L355 HydrophobicContact CG1-CD2 3.58Å |
| 311 | S | 88.1 | Confident | 87.4 | Confident | 72 Ų | 72 | 56.3 Ų | 56.3 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.7 | -35.9 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | K307 S308 L309 R315 | K307-S311 WeakPolarHBondContact O-CB 3.41Å; K307-S311 PolarHBondContact O-N 3.36Å; K307-S311 PolarHBondContact O-OG 3.4Å; S308-S311 PolarHBondContact O-N 3.19Å; L309-S311 VanDerWaalsContact C-N 3.29Å; L309-S311 PolarHBondContact O-N 3.31Å; S311-R315 WeakPolarHBondContact O-CB 3.45Å; S311-R315 PolarHBondContact O-N 3.16Å; S311-R315 VanDerWaalsContact O-N 3.1Å |
| 312 | G | 88.8 | Confident | 87.3 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.8 | -50.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S308 L309 I310 V314 R315 D316 | S308-G312 PolarHBondContact O-N 3.28Å; L309-G312 WeakPolarHBondContact O-CA 3.35Å; L309-G312 PolarHBondContact O-N 3.28Å; L309-G312 VanDerWaalsContact O-N 3.09Å; I310-G312 VanDerWaalsContact C-N 3.29Å; I310-G312 PolarHBondContact O-N 2.87Å; G312-V314 VanDerWaalsContact C-N 3.3Å; G312-V314 PolarHBondContact O-N 2.94Å; G312-R315 PolarHBondContact O-N 2.84Å; G312-R315 VanDerWaalsContact O-N 3.16Å; G312-D316 WeakPolarHBondContact O-CB 3.48Å; G312-D316 VanDerWaalsContact O-CG 3.3Å; G312-D316 PolarHBondContact O-N 3.48Å |
| 313 | V | 89.5 | Confident | 87.2 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.4 | -42.8 | 178.2 | 170 | 0 | 0 | 0 | 0 | 111.8 | L309 I310 V317 S318 I320 V348 L355 A357 | L309-V313 WeakPolarHBondContact O-CG2 3.4Å; L309-V313 PolarHBondContact O-N 2.97Å; I310-V313 PolarHBondContact O-N 3.36Å; V313-V317 WeakPolarHBondContact O-CA 3.49Å; V313-V317 PolarHBondContact O-N 3.38Å; V313-S318 WeakPolarHBondContact CG1-O 3.48Å; V313-S318 PolarHBondContact O-N 2.94Å; V313-I320 HydrophobicContact CG2-CB 3.8Å; V313-I320 HydrophobicContact CG2-CG2 3.42Å; V313-I320 VanDerWaalsContact CG2-CG2 3.42Å; V313-V348 HydrophobicContact CG1-CG1 4.28Å; V313-L355 HydrophobicContact CG2-CD2 4.37Å; V313-A357 HydrophobicContact CG1-CB 4Å |
| 314 | V | 89.1 | Confident | 87.1 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 29% | 0.285 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | I310 G312 P347 V348 | I310-V314 VanDerWaalsContact O-CG2 3.27Å; I310-V314 WeakPolarHBondContact O-CG2 3.25Å; I310-V314 PolarHBondContact O-N 3.02Å; G312-V314 VanDerWaalsContact C-N 3.3Å; G312-V314 PolarHBondContact O-N 2.94Å; V314-P347 HydrophobicContact CG1-CG 3.8Å; V314-P347 HydrophobicContact CG2-CG 3.97Å; V314-V348 HydrophobicContact CG2-CG1 3.41Å; V314-V348 VanDerWaalsContact CG2-CG1 3.41Å |
| 315 | R | 89 | Confident | 86.7 | Confident | 173 Ų | 173 | 60.1 Ų | 60.1 | 65% | 0.653 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -69 | -43.5 | -179 | -178.9 | -172.4 | 61.7 | -121.4 | -8.9 | 111.7 | S311 G312 V317 | S311-R315 WeakPolarHBondContact O-CB 3.45Å; S311-R315 PolarHBondContact O-N 3.16Å; S311-R315 VanDerWaalsContact O-N 3.1Å; G312-R315 PolarHBondContact O-N 2.84Å; G312-R315 VanDerWaalsContact O-N 3.16Å; R315-V317 VanDerWaalsContact C-N 3.31Å |
| 316 | D | 87.9 | Confident | 86.4 | Confident | 96 Ų | 96 | 55.9 Ų | 55.9 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -89.2 | -3.7 | -171.6 | -55.3 | -25.1 | 0 | 0 | 0 | 111.9 | G312 | G312-D316 WeakPolarHBondContact O-CB 3.48Å; G312-D316 VanDerWaalsContact O-CG 3.3Å; G312-D316 PolarHBondContact O-N 3.48Å |
| 317 | V | 86.1 | Confident | 85.7 | Confident | 40 Ų | 40 | 56.1 Ų | 56.1 | 24% | 0.242 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 56.8 | -178.8 | -172.2 | 0 | 0 | 0 | 0 | 110 | V313 R315 K359 F360 | V313-V317 WeakPolarHBondContact O-CA 3.49Å; V313-V317 PolarHBondContact O-N 3.38Å; R315-V317 VanDerWaalsContact C-N 3.31Å; V317-K359 HydrophobicContact CG1-CB 3.52Å; V317-K359 HydrophobicContact CG2-CB 4.21Å; V317-K359 HydrophobicContact CG2-CD 4.2Å; V317-F360 HydrophobicContact CG1-CB 4.17Å; V317-F360 WeakPolarHBondContact O-CD2 3.48Å |
| 318 | S | 87.3 | Confident | 84.9 | Confident | 35 Ų | 35 | 58 Ų | 58 | 25% | 0.245 | 30% | 0.303 | C | S | . | . | trans | -129.3 | -165.3 | -170.1 | 66.8 | 0 | 0 | 0 | 0 | 112.1 | V313 A357 | V313-S318 WeakPolarHBondContact CG1-O 3.48Å; V313-S318 PolarHBondContact O-N 2.94Å; S318-A357 PolarHBondContact O-N 3.21Å; S318-A357 VanDerWaalsContact O-N 3.09Å | ||
| 319 | W | 88.2 | Confident | 84 | Confident | 65 Ų | 65 | 55.9 Ų | 55.9 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 158 | 172.1 | 60.9 | -87.9 | 0 | 0 | 0 | 108.9 | Y354 L355 I356 F360 D484 V485 P486 V489 | W319-Y354 HydrophobicContact CE3-CD1 4.19Å; W319-Y354 HydrophobicContact CZ3-CD1 4.38Å; W319-Y354 HydrophobicContact CZ3-CE1 4.36Å; W319-L355 CarbonylContact C-O 3.59Å; W319-L355 VanDerWaalsContact CA-O 3.27Å; W319-L355 WeakPolarHBondContact CA-O 3.35Å; W319-I356 HydrophobicContact CB-CG1 4.17Å; W319-F360 AromaticContact CD1-CZ 3.75Å; W319-D484 WeakPolarHBondContact CZ2-O 3.41Å; W319-V485 HydrophobicContact CZ2-CB 4.47Å; W319-V485 HydrophobicContact CZ2-CG2 4.43Å; W319-P486 HydrophobicContact CH2-CG 3.72Å; W319-P486 HydrophobicContact CZ2-CG 4.42Å; W319-P486 HydrophobicContact CZ3-CG 4Å; W319-V489 HydrophobicContact CD2-CG2 4.42Å; W319-V489 HydrophobicContact CE3-CG2 4.08Å; W319-V489 HydrophobicContact CG-CG1 4.34Å; W319-V489 HydrophobicContact CZ3-CG2 4.43Å |
| 320 | I | 87.1 | Confident | 83.1 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 17% | 0.169 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 144 | 172.8 | -164.9 | 169.1 | 0 | 0 | 0 | 110.6 | L309 V313 L322 Y325 Y354 L355 | L309-I320 HydrophobicContact CB-CD1 4.37Å; L309-I320 HydrophobicContact CD1-CD1 4.21Å; L309-I320 HydrophobicContact CD2-CD1 3.69Å; L309-I320 HydrophobicContact CG-CD1 4.29Å; V313-I320 HydrophobicContact CG2-CB 3.8Å; V313-I320 HydrophobicContact CG2-CG2 3.42Å; V313-I320 VanDerWaalsContact CG2-CG2 3.42Å; I320-L322 HydrophobicContact CG2-CD2 3.94Å; I320-L322 HydrophobicContact CG2-CG 4.47Å; I320-Y325 HydrophobicContact CD1-CE2 4.02Å; I320-Y325 HydrophobicContact CG1-CE2 4.43Å; I320-Y354 WeakPolarHBondContact O-CA 3.39Å; I320-L355 HydrophobicContact CG2-CB 3.9Å; I320-L355 HydrophobicContact CG2-CD2 4.29Å; I320-L355 PolarHBondContact N-O 3.34Å; I320-L355 PolarHBondContact O-N 3.16Å |
| 321 | D | 86.7 | Confident | 82.3 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 20% | 0.198 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 119.4 | 169.4 | -174.9 | 4.4 | 0 | 0 | 0 | 110.4 | S323 Y354 | D321-S323 VanDerWaalsContact C-N 3.34Å; D321-S323 WeakPolarHBondContact OD1-CB 3.47Å; D321-S323 PolarHBondContact OD1-N 3.29Å; D321-S323 PolarHBondContact OD1-OG 2.87Å; D321-S323 PolarHBondContact OD2-OG 3.2Å; D321-Y354 HydrophobicContact CB-CD1 3.91Å; D321-Y354 HydrophobicContact CB-CE1 3.72Å |
| 322 | L | 83.9 | Confident | 81.5 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | trans | -85.7 | -3.5 | 177.7 | -61.9 | -178.4 | 0 | 0 | 0 | 113.4 | L306 L309 I320 H324 Y325 I326 L350 T353 L355 | L306-L322 HydrophobicContact CD2-CD2 4.11Å; L309-L322 HydrophobicContact CD1-CD2 4.32Å; I320-L322 HydrophobicContact CG2-CD2 3.94Å; I320-L322 HydrophobicContact CG2-CG 4.47Å; L322-H324 PolarHBondContact O-N 2.81Å; L322-H324 VanDerWaalsContact O-N 3.15Å; L322-Y325 HydrophobicContact CD2-CD2 4.45Å; L322-Y325 PolarHBondContact O-N 3.35Å; L322-I326 HydrophobicContact CB-CD1 3.73Å; L322-I326 HydrophobicContact CB-CG1 4.22Å; L322-I326 HydrophobicContact CD1-CD1 4.32Å; L322-I326 WeakPolarHBondContact O-CG1 3.36Å; L322-I326 PolarHBondContact O-N 2.89Å; L322-L350 HydrophobicContact CD1-CD1 3.87Å; L322-T353 WeakPolarHBondContact CB-O 3.27Å; L322-T353 PolarHBondContact N-O 2.88Å; L322-L355 HydrophobicContact CD1-CB 3.92Å; L322-L355 HydrophobicContact CG-CB 4.09Å | ||
| 323 | S | 82.1 | Confident | 80.7 | Confident | 37 Ų | 37 | 64.6 Ų | 64.6 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -36.7 | -177.1 | -59.1 | 0 | 0 | 0 | 0 | 113.3 | D321 T353 | D321-S323 VanDerWaalsContact C-N 3.34Å; D321-S323 WeakPolarHBondContact OD1-CB 3.47Å; D321-S323 PolarHBondContact OD1-N 3.29Å; D321-S323 PolarHBondContact OD1-OG 2.87Å; D321-S323 PolarHBondContact OD2-OG 3.2Å; S323-T353 VanDerWaalsContact OG-CB 3.32Å; S323-T353 WeakPolarHBondContact OG-CB 3.36Å; S323-T353 WeakPolarHBondContact OG-CG2 3.48Å |
| 324 | H | 81.4 | Confident | 80 | Confident | 168 Ų | 168 | 66.2 Ų | 66.2 | 78% | 0.778 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -13.4 | -179.7 | -63.1 | -55.9 | 0 | 0 | 0 | 114.6 | L322 | L322-H324 PolarHBondContact O-N 2.81Å; L322-H324 VanDerWaalsContact O-N 3.15Å |
| 325 | Y | 80 | Confident | 79.3 | Confident | 98 Ų | 98 | 68.9 Ų | 68.9 | 38% | 0.384 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -18.1 | -178 | -60.9 | -80.2 | 0 | 0 | 0 | 112.5 | L309 I320 L322 | L309-Y325 HydrophobicContact CD1-CD1 3.51Å; L309-Y325 HydrophobicContact CD1-CD2 3.66Å; L309-Y325 HydrophobicContact CD1-CE1 3.6Å; L309-Y325 HydrophobicContact CD1-CE2 3.75Å; L309-Y325 HydrophobicContact CD1-CG 3.52Å; L309-Y325 HydrophobicContact CD2-CE1 4.38Å; I320-Y325 HydrophobicContact CD1-CE2 4.02Å; I320-Y325 HydrophobicContact CG1-CE2 4.43Å; L322-Y325 HydrophobicContact CD2-CD2 4.45Å; L322-Y325 PolarHBondContact O-N 3.35Å |
| 326 | I | 79.7 | Confident | 78.6 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 11% | 0.108 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -100.6 | 134.3 | 178.4 | -61.6 | 173 | 0 | 0 | 0 | 108.7 | L322 N328 L330 R335 V339 | L322-I326 HydrophobicContact CB-CD1 3.73Å; L322-I326 HydrophobicContact CB-CG1 4.22Å; L322-I326 HydrophobicContact CD1-CD1 4.32Å; L322-I326 WeakPolarHBondContact O-CG1 3.36Å; L322-I326 PolarHBondContact O-N 2.89Å; I326-N328 PolarHBondContact O-N 3.21Å; I326-L330 HydrophobicContact CG2-CD1 3.9Å; I326-R335 HydrophobicContact CG2-CG 4.04Å; I326-V339 HydrophobicContact CD1-CG2 3.8Å |
| 327 | P | 74.1 | Confident | 78 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 7% | 0.065 | 33% | 0.326 | C | S | . | . | trans | -55.7 | 128.3 | 174.1 | -29.2 | 37.4 | 0 | 0 | 0 | 113.5 | Y265 G329 L330 | Y265-P327 HydrophobicContact CD1-CB 3.65Å; Y265-P327 HydrophobicContact CD1-CG 3.45Å; Y265-P327 VanDerWaalsContact CD1-CG 3.45Å; Y265-P327 HydrophobicContact CD2-CB 3.81Å; Y265-P327 HydrophobicContact CD2-CG 4.13Å; Y265-P327 HydrophobicContact CE1-CB 3.6Å; Y265-P327 HydrophobicContact CE1-CG 3.9Å; Y265-P327 HydrophobicContact CE2-CB 3.76Å; Y265-P327 HydrophobicContact CG-CB 3.76Å; Y265-P327 HydrophobicContact CG-CG 3.59Å; P327-G329 PolarHBondContact O-N 3.42Å; P327-L330 HydrophobicContact CB-CD1 4.09Å; P327-L330 HydrophobicContact CB-CG 4.11Å; P327-L330 HydrophobicContact CG-CD1 4.3Å; P327-L330 WeakPolarHBondContact O-CG 3.32Å; P327-L330 PolarHBondContact O-N 3.06Å | ||
| 328 | N | 70.5 | Confident | 77.6 | Confident | 138 Ų | 138 | 58.6 Ų | 58.6 | 74% | 0.738 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.8 | -175.2 | -69.9 | -17.2 | 0 | 0 | 0 | 114.7 | I326 L330 | I326-N328 PolarHBondContact O-N 3.21Å; N328-L330 VanDerWaalsContact C-N 3.26Å; N328-L330 PolarHBondContact O-N 2.98Å |
| 329 | G | 67 | Low | 77.3 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 38% | 0.381 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 3.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E267 P327 | E267-G329 WeakPolarHBondContact OE1-CA 3.33Å; P327-G329 PolarHBondContact O-N 3.42Å |
| 330 | L | 70.5 | Confident | 77.1 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | trans | -85.1 | 137.1 | -176.8 | -59.6 | 180 | 0 | 0 | 0 | 112.7 | L296 I326 P327 N328 E334 R335 L338 | L296-L330 HydrophobicContact CB-CD2 4.03Å; L296-L330 HydrophobicContact CD1-CD2 3.56Å; L296-L330 HydrophobicContact CD2-CD1 3.65Å; L296-L330 HydrophobicContact CD2-CD2 3.29Å; L296-L330 HydrophobicContact CD2-CG 4.07Å; L296-L330 HydrophobicContact CG-CD2 3.76Å; I326-L330 HydrophobicContact CG2-CD1 3.9Å; P327-L330 HydrophobicContact CB-CD1 4.09Å; P327-L330 HydrophobicContact CB-CG 4.11Å; P327-L330 HydrophobicContact CG-CD1 4.3Å; P327-L330 WeakPolarHBondContact O-CG 3.32Å; P327-L330 PolarHBondContact O-N 3.06Å; N328-L330 VanDerWaalsContact C-N 3.26Å; N328-L330 PolarHBondContact O-N 2.98Å; L330-E334 HydrophobicContact CB-CB 4.28Å; L330-E334 HydrophobicContact CD2-CB 4.29Å; L330-R335 HydrophobicContact CB-CG 3.5Å; L330-R335 HydrophobicContact CD1-CG 4.19Å; L330-R335 HydrophobicContact CG-CG 4.48Å; L330-R335 VanDerWaalsContact O-CZ 3.23Å; L330-R335 PolarHBondContact O-NE 3Å; L330-R335 PolarHBondContact O-NH2 2.96Å; L330-L338 HydrophobicContact CD1-CD2 4.47Å | ||
| 331 | D | 71.4 | Confident | 76.8 | Confident | 106 Ų | 106 | 60.9 Ų | 60.9 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | trans | -69.8 | 158.9 | 167.8 | -73.3 | -19.6 | 0 | 0 | 0 | 110.7 | N333 E334 R335 | D331-N333 PolarHBondContact O-N 3.07Å; D331-E334 HydrophobicContact CB-CG 4.34Å; D331-E334 PolarHBondContact N-OE2 3.46Å; D331-E334 VanDerWaalsContact N-OE2 3.16Å; D331-E334 PolarHBondContact O-N 3.45Å; D331-R335 WeakPolarHBondContact O-CG 3.49Å; D331-R335 PolarHBondContact O-N 3.2Å | ||
| 332 | S | 70.6 | Confident | 76.4 | Confident | 83 Ų | 83 | 61 Ų | 61 | 58% | 0.58 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -54.2 | -39.3 | 179.9 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | S336 | S332-S336 WeakPolarHBondContact O-CB 3.17Å; S332-S336 PolarHBondContact O-N 2.97Å |
| 333 | N | 72.5 | Confident | 76.4 | Confident | 123 Ų | 123 | 62 Ų | 62 | 66% | 0.658 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.1 | -42.6 | 176.9 | -66.8 | -25.1 | 0 | 0 | 0 | 111.9 | D331 S336 A337 | D331-N333 PolarHBondContact O-N 3.07Å; N333-S336 PolarHBondContact O-N 2.99Å; N333-S336 PolarHBondContact O-OG 2.61Å; N333-A337 PolarHBondContact O-N 2.82Å |
| 334 | E | 74.1 | Confident | 76.2 | Confident | 39 Ų | 39 | 68.5 Ų | 68.5 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70 | -40.5 | -179.3 | -63.2 | 177.3 | 149.4 | 0 | 0 | 111.4 | L330 D331 S336 A337 L338 | L330-E334 HydrophobicContact CB-CB 4.28Å; L330-E334 HydrophobicContact CD2-CB 4.29Å; D331-E334 HydrophobicContact CB-CG 4.34Å; D331-E334 PolarHBondContact N-OE2 3.46Å; D331-E334 VanDerWaalsContact N-OE2 3.16Å; D331-E334 PolarHBondContact O-N 3.45Å; E334-S336 VanDerWaalsContact C-N 3.32Å; E334-S336 PolarHBondContact O-N 3.39Å; E334-A337 PolarHBondContact O-N 2.87Å; E334-L338 PolarHBondContact O-N 3.15Å |
| 335 | R | 76 | Confident | 76 | Confident | 103 Ų | 103 | 67.9 Ų | 67.9 | 39% | 0.389 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.7 | -46 | 171.9 | -65.3 | -177.1 | -141.9 | 157.4 | 3.4 | 111 | I326 L330 D331 A337 L338 V339 | I326-R335 HydrophobicContact CG2-CG 4.04Å; L330-R335 HydrophobicContact CB-CG 3.5Å; L330-R335 HydrophobicContact CD1-CG 4.19Å; L330-R335 HydrophobicContact CG-CG 4.48Å; L330-R335 VanDerWaalsContact O-CZ 3.23Å; L330-R335 PolarHBondContact O-NE 3Å; L330-R335 PolarHBondContact O-NH2 2.96Å; D331-R335 WeakPolarHBondContact O-CG 3.49Å; D331-R335 PolarHBondContact O-N 3.2Å; R335-A337 VanDerWaalsContact C-N 3.28Å; R335-A337 PolarHBondContact O-N 2.86Å; R335-L338 PolarHBondContact O-N 3.1Å; R335-V339 WeakPolarHBondContact O-CG2 3.33Å; R335-V339 PolarHBondContact O-N 3.21Å |
| 336 | S | 74.6 | Confident | 76.2 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 30% | 0.301 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.6 | -37 | 178.2 | 83.2 | 0 | 0 | 0 | 0 | 111.8 | S332 N333 E334 L338 V339 N340 | S332-S336 WeakPolarHBondContact O-CB 3.17Å; S332-S336 PolarHBondContact O-N 2.97Å; N333-S336 PolarHBondContact O-N 2.99Å; N333-S336 PolarHBondContact O-OG 2.61Å; E334-S336 VanDerWaalsContact C-N 3.32Å; E334-S336 PolarHBondContact O-N 3.39Å; S336-L338 VanDerWaalsContact C-N 3.34Å; S336-L338 PolarHBondContact O-N 3.37Å; S336-V339 PolarHBondContact O-N 3.44Å; S336-N340 WeakPolarHBondContact O-CB 3.26Å; S336-N340 PolarHBondContact O-N 3.09Å; S336-N340 PolarHBondContact O-ND2 3.34Å |
| 337 | A | 74.1 | Confident | 76.6 | Confident | 41 Ų | 41 | 66.4 Ų | 66.4 | 34% | 0.339 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.4 | -31.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | N333 E334 R335 P341 | N333-A337 PolarHBondContact O-N 2.82Å; E334-A337 PolarHBondContact O-N 2.87Å; R335-A337 VanDerWaalsContact C-N 3.28Å; R335-A337 PolarHBondContact O-N 2.86Å; A337-P341 WeakPolarHBondContact O-CD 3.36Å; A337-P341 VanDerWaalsContact O-CG 3.23Å; A337-P341 WeakPolarHBondContact O-CG 3.47Å |
| 338 | L | 78 | Confident | 77.1 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 5% | 0.047 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -75.7 | -44.2 | 174.4 | -179.5 | 64.8 | 0 | 0 | 0 | 111.9 | L293 V298 V303 L306 L330 E334 R335 S336 | L293-L338 HydrophobicContact CD1-CB 3.81Å; L293-L338 HydrophobicContact CD1-CD1 3.72Å; L293-L338 HydrophobicContact CD1-CG 4.34Å; V298-L338 HydrophobicContact CG2-CD1 4.45Å; V303-L338 HydrophobicContact CG2-CD1 4.06Å; L306-L338 HydrophobicContact CD1-CD2 4.43Å; L330-L338 HydrophobicContact CD1-CD2 4.47Å; E334-L338 PolarHBondContact O-N 3.15Å; R335-L338 PolarHBondContact O-N 3.1Å; S336-L338 VanDerWaalsContact C-N 3.34Å; S336-L338 PolarHBondContact O-N 3.37Å |
| 339 | V | 81.8 | Confident | 77.8 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.024 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -90.3 | -44 | -168.8 | -176.5 | 0 | 0 | 0 | 0 | 112.6 | I326 R335 S336 P341 L342 L343 L350 | I326-V339 HydrophobicContact CD1-CG2 3.8Å; R335-V339 WeakPolarHBondContact O-CG2 3.33Å; R335-V339 PolarHBondContact O-N 3.21Å; S336-V339 PolarHBondContact O-N 3.44Å; V339-P341 VanDerWaalsContact C-CD 3.42Å; V339-P341 VanDerWaalsContact C-N 3.34Å; V339-L342 WeakPolarHBondContact O-CA 3.45Å; V339-L342 WeakPolarHBondContact O-CB 3.35Å; V339-L342 PolarHBondContact O-N 3.03Å; V339-L343 HydrophobicContact CG1-CD1 3.7Å; V339-L343 HydrophobicContact CG1-CD2 4.19Å; V339-L343 HydrophobicContact CG1-CG 3.84Å; V339-L343 WeakPolarHBondContact O-CG 3.24Å; V339-L343 PolarHBondContact O-N 2.89Å; V339-L350 HydrophobicContact CB-CD2 4.34Å; V339-L350 HydrophobicContact CG1-CD2 3.86Å |
| 340 | N | 82.2 | Confident | 78.6 | Confident | 84 Ų | 84 | 65 Ų | 65 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -55.2 | -38.7 | -175.6 | -68.3 | -16.1 | 0 | 0 | 0 | 114.5 | S336 L342 L343 K344 | S336-N340 WeakPolarHBondContact O-CB 3.26Å; S336-N340 PolarHBondContact O-N 3.09Å; S336-N340 PolarHBondContact O-ND2 3.34Å; N340-L342 PolarHBondContact O-N 2.93Å; N340-L343 PolarHBondContact O-N 3.39Å; N340-L343 VanDerWaalsContact O-N 3.16Å; N340-K344 PolarHBondContact O-N 3.43Å |
| 341 | P | 80.9 | Confident | 79.1 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 60% | 0.604 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.5 | -28.7 | 175 | -24 | 35.5 | 0 | 0 | 0 | 113.6 | A337 V339 | A337-P341 WeakPolarHBondContact O-CD 3.36Å; A337-P341 VanDerWaalsContact O-CG 3.23Å; A337-P341 WeakPolarHBondContact O-CG 3.47Å; V339-P341 VanDerWaalsContact C-CD 3.42Å; V339-P341 VanDerWaalsContact C-N 3.34Å |
| 342 | L | 79.9 | Confident | 79.3 | Confident | 40 Ų | 40 | 69 Ų | 69 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -80.7 | -21.6 | 178.3 | -55.4 | 176.2 | 0 | 0 | 0 | 112.4 | V303 L306 K307 I310 V339 N340 | V303-L342 HydrophobicContact CG1-CD1 4.26Å; V303-L342 HydrophobicContact CG1-CD2 3.93Å; L306-L342 HydrophobicContact CB-CD1 3.99Å; L306-L342 HydrophobicContact CD1-CD1 4.17Å; K307-L342 HydrophobicContact CG-CD2 4.15Å; I310-L342 HydrophobicContact CD1-CB 3.83Å; V339-L342 WeakPolarHBondContact O-CA 3.45Å; V339-L342 WeakPolarHBondContact O-CB 3.35Å; V339-L342 PolarHBondContact O-N 3.03Å; N340-L342 PolarHBondContact O-N 2.93Å |
| 343 | L | 82.7 | Confident | 79.7 | Confident | 22 Ų | 22 | 66.9 Ų | 66.9 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -92.9 | -17.9 | -176.2 | -57.6 | -177.6 | 0 | 0 | 0 | 114.4 | I310 V339 N340 D345 A346 V348 L350 L355 | I310-L343 HydrophobicContact CD1-CD2 4.01Å; I310-L343 HydrophobicContact CG1-CD2 4.33Å; V339-L343 HydrophobicContact CG1-CD1 3.7Å; V339-L343 HydrophobicContact CG1-CD2 4.19Å; V339-L343 HydrophobicContact CG1-CG 3.84Å; V339-L343 WeakPolarHBondContact O-CG 3.24Å; V339-L343 PolarHBondContact O-N 2.89Å; N340-L343 PolarHBondContact O-N 3.39Å; N340-L343 VanDerWaalsContact O-N 3.16Å; L343-D345 PolarHBondContact O-N 3.02Å; L343-A346 PolarHBondContact O-N 3.35Å; L343-V348 HydrophobicContact CD2-CG2 3.71Å; L343-L350 HydrophobicContact CD1-CB 3.59Å; L343-L350 HydrophobicContact CD1-CD2 4.16Å; L343-L350 HydrophobicContact CD1-CG 4.46Å; L343-L355 HydrophobicContact CD2-CD1 3.63Å |
| 344 | K | 78.7 | Confident | 80.4 | Confident | 175 Ų | 175 | 62 Ų | 62 | 76% | 0.761 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -32.3 | -167.4 | -170 | 178.9 | 176.7 | -174.4 | 0 | 114.9 | N340 | N340-K344 PolarHBondContact O-N 3.43Š|
| 345 | D | 77.7 | Confident | 81.1 | Confident | 154 Ų | 154 | 60.1 Ų | 60.1 | 82% | 0.824 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | 7.1 | -177.8 | -58.2 | -46.1 | 0 | 0 | 0 | 113.3 | L343 | L343-D345 PolarHBondContact O-N 3.02Š|
| 346 | A | 83.5 | Confident | 81.7 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 21% | 0.207 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -99.5 | 137.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111 | I310 L343 V348 | I310-A346 HydrophobicContact CG2-CB 3.86Å; L343-A346 PolarHBondContact O-N 3.35Å; A346-V348 HydrophobicContact CB-CG2 3.61Å; A346-V348 PolarHBondContact O-N 2.91Å |
| 347 | P | 87.5 | Confident | 82.4 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -78.5 | 60.2 | -179.9 | 34.1 | -36.2 | 0 | 0 | 0 | 111.2 | V314 D358 | V314-P347 HydrophobicContact CG1-CG 3.8Å; V314-P347 HydrophobicContact CG2-CG 3.97Å; P347-D358 VanDerWaalsContact C-CG 3.47Å; P347-D358 VanDerWaalsContact CA-OD2 3.24Å; P347-D358 WeakPolarHBondContact CA-OD2 3.48Å; P347-D358 PolarHBondContact O-N 2.82Å |
| 348 | V | 86.2 | Confident | 83.1 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 9% | 0.085 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 149.4 | -174.8 | -65.1 | 0 | 0 | 0 | 0 | 109.7 | I310 V313 V314 L343 A346 L355 I356 | I310-V348 HydrophobicContact CG2-CG2 4.3Å; V313-V348 HydrophobicContact CG1-CG1 4.28Å; V314-V348 HydrophobicContact CG2-CG1 3.41Å; V314-V348 VanDerWaalsContact CG2-CG1 3.41Å; L343-V348 HydrophobicContact CD2-CG2 3.71Å; A346-V348 HydrophobicContact CB-CG2 3.61Å; A346-V348 PolarHBondContact O-N 2.91Å; V348-L355 HydrophobicContact CB-CD1 3.78Å; V348-L355 HydrophobicContact CB-CG 4.21Å; V348-L355 HydrophobicContact CG2-CD1 3.73Å; V348-L355 HydrophobicContact CG2-CG 4.5Å; V348-I356 CarbonylContact C-O 3.39Å; V348-I356 VanDerWaalsContact CA-O 3.26Å; V348-I356 WeakPolarHBondContact CA-O 3.27Å |
| 349 | K | 84.5 | Confident | 83.6 | Confident | 91 Ų | 91 | 60 Ų | 60 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.7 | 175.5 | -153.3 | 170.2 | -171 | -179.9 | 0 | 109.5 | L351 I356 I361 V496 | K349-L351 HydrophobicContact CD-CD2 4.26Å; K349-L351 HydrophobicContact CG-CD2 4.19Å; K349-I356 PolarHBondContact N-O 2.81Å; K349-I356 PolarHBondContact O-N 2.86Å; K349-I361 HydrophobicContact CB-CD1 4.36Å; K349-I361 HydrophobicContact CD-CD1 4.4Å; K349-V496 HydrophobicContact CD-CG1 4.2Å; K349-V496 HydrophobicContact CD-CG2 4.46Å; K349-V496 VanDerWaalsContact NZ-CG1 3.3Å |
| 350 | L | 84.1 | Confident | 83.9 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 118.1 | 171.8 | -178.6 | 71.9 | 0 | 0 | 0 | 108.9 | L322 V339 L343 Y354 L355 | L322-L350 HydrophobicContact CD1-CD1 3.87Å; V339-L350 HydrophobicContact CB-CD2 4.34Å; V339-L350 HydrophobicContact CG1-CD2 3.86Å; L343-L350 HydrophobicContact CD1-CB 3.59Å; L343-L350 HydrophobicContact CD1-CD2 4.16Å; L343-L350 HydrophobicContact CD1-CG 4.46Å; L350-Y354 WeakPolarHBondContact CA-O 3.39Å; L350-L355 HydrophobicContact CB-CD1 4.45Å |
| 351 | L | 79.4 | Confident | 84.1 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 100.6 | 175.2 | -57.5 | 177.3 | 0 | 0 | 0 | 107.2 | K349 T353 Y354 I356 Q492 V496 | K349-L351 HydrophobicContact CD-CD2 4.26Å; K349-L351 HydrophobicContact CG-CD2 4.19Å; L351-T353 PolarHBondContact O-N 2.88Å; L351-Y354 PolarHBondContact N-O 2.92Å; L351-Y354 PolarHBondContact O-N 2.96Å; L351-I356 HydrophobicContact CD1-CD1 3.73Å; L351-I356 HydrophobicContact CG-CD1 4.5Å; L351-Q492 HydrophobicContact CB-CB 4.3Å; L351-Q492 HydrophobicContact CD1-CB 3.81Å; L351-Q492 PolarHBondContact O-OE1 3.11Å; L351-Q492 VanDerWaalsContact O-OE1 3.11Å; L351-V496 HydrophobicContact CD1-CG2 3.79Å; L351-V496 HydrophobicContact CD2-CG2 3.76Å; L351-V496 HydrophobicContact CG-CG2 4.45Å |
| 352 | E | 77.4 | Confident | 84.3 | Confident | 165 Ų | 165 | 58.8 Ų | 58.8 | 77% | 0.771 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | -88.4 | -173.1 | -57.3 | -173 | 153.7 | 0 | 0 | 113.6 | Q492 | E352-Q492 PolarHBondContact OE2-NE2 2.8Š|
| 353 | T | 79.2 | Confident | 84.6 | Confident | 38 Ų | 38 | 64 Ų | 64 | 23% | 0.233 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -17.5 | 179.7 | 45.3 | 0 | 0 | 0 | 0 | 113.2 | L322 S323 L351 | L322-T353 WeakPolarHBondContact CB-O 3.27Å; L322-T353 PolarHBondContact N-O 2.88Å; S323-T353 VanDerWaalsContact OG-CB 3.32Å; S323-T353 WeakPolarHBondContact OG-CB 3.36Å; S323-T353 WeakPolarHBondContact OG-CG2 3.48Å; L351-T353 PolarHBondContact O-N 2.88Å |
| 354 | Y | 86.3 | Confident | 84.7 | Confident | 21 Ų | 21 | 63 Ų | 63 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128.4 | -176.1 | -60.3 | -78.7 | 0 | 0 | 0 | 111.4 | W319 I320 D321 L350 L351 E488 V489 | W319-Y354 HydrophobicContact CE3-CD1 4.19Å; W319-Y354 HydrophobicContact CZ3-CD1 4.38Å; W319-Y354 HydrophobicContact CZ3-CE1 4.36Å; I320-Y354 WeakPolarHBondContact O-CA 3.39Å; D321-Y354 HydrophobicContact CB-CD1 3.91Å; D321-Y354 HydrophobicContact CB-CE1 3.72Å; L350-Y354 WeakPolarHBondContact CA-O 3.39Å; L351-Y354 PolarHBondContact N-O 2.92Å; L351-Y354 PolarHBondContact O-N 2.96Å; Y354-E488 HydrophobicContact CE2-CB 3.98Å; Y354-E488 PolarHBondContact OH-OE2 2.88Å; Y354-V489 HydrophobicContact CD1-CG2 3.47Å; Y354-V489 VanDerWaalsContact CD1-CG2 3.47Å; Y354-V489 HydrophobicContact CD2-CG2 4.07Å; Y354-V489 HydrophobicContact CE1-CG2 3.63Å; Y354-V489 HydrophobicContact CE2-CG2 4.22Å; Y354-V489 HydrophobicContact CG-CG2 3.7Å |
| 355 | L | 87.8 | Confident | 85 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 120.2 | 171.4 | -177.4 | 75.5 | 0 | 0 | 0 | 109.1 | I310 V313 W319 I320 L322 L343 V348 L350 | I310-L355 HydrophobicContact CB-CD2 4.25Å; I310-L355 HydrophobicContact CG1-CD2 3.58Å; V313-L355 HydrophobicContact CG2-CD2 4.37Å; W319-L355 CarbonylContact C-O 3.59Å; W319-L355 VanDerWaalsContact CA-O 3.27Å; W319-L355 WeakPolarHBondContact CA-O 3.35Å; I320-L355 HydrophobicContact CG2-CB 3.9Å; I320-L355 HydrophobicContact CG2-CD2 4.29Å; I320-L355 PolarHBondContact N-O 3.34Å; I320-L355 PolarHBondContact O-N 3.16Å; L322-L355 HydrophobicContact CD1-CB 3.92Å; L322-L355 HydrophobicContact CG-CB 4.09Å; L343-L355 HydrophobicContact CD2-CD1 3.63Å; V348-L355 HydrophobicContact CB-CD1 3.78Å; V348-L355 HydrophobicContact CB-CG 4.21Å; V348-L355 HydrophobicContact CG2-CD1 3.73Å; V348-L355 HydrophobicContact CG2-CG 4.5Å; L350-L355 HydrophobicContact CB-CD1 4.45Å |
| 356 | I | 88.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.6 | -172.5 | -50.7 | -176.9 | 0 | 0 | 0 | 109.4 | W319 V348 K349 L351 F360 I361 V489 V493 | W319-I356 HydrophobicContact CB-CG1 4.17Å; V348-I356 CarbonylContact C-O 3.39Å; V348-I356 VanDerWaalsContact CA-O 3.26Å; V348-I356 WeakPolarHBondContact CA-O 3.27Å; K349-I356 PolarHBondContact N-O 2.81Å; K349-I356 PolarHBondContact O-N 2.86Å; L351-I356 HydrophobicContact CD1-CD1 3.73Å; L351-I356 HydrophobicContact CG-CD1 4.5Å; I356-F360 HydrophobicContact CG2-CB 4.26Å; I356-F360 HydrophobicContact CG2-CD1 3.58Å; I356-F360 HydrophobicContact CG2-CE1 4.36Å; I356-F360 HydrophobicContact CG2-CG 4.3Å; I356-I361 HydrophobicContact CG2-CD1 4.29Å; I356-I361 HydrophobicContact CG2-CG1 3.87Å; I356-V489 HydrophobicContact CD1-CG1 3.96Å; I356-V493 HydrophobicContact CD1-CG2 3.49Å; I356-V493 VanDerWaalsContact CD1-CG2 3.49Å |
| 357 | A | 90.3 | Very high | 85.4 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 138.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V313 S318 K359 F360 I361 | V313-A357 HydrophobicContact CG1-CB 4Å; S318-A357 PolarHBondContact O-N 3.21Å; S318-A357 VanDerWaalsContact O-N 3.09Å; A357-K359 PolarHBondContact O-N 3.13Å; A357-F360 HydrophobicContact CB-CB 4.18Å; A357-F360 WeakPolarHBondContact O-CA 3.41Å; A357-F360 VanDerWaalsContact O-CB 3.25Å; A357-F360 WeakPolarHBondContact O-CB 3.22Å; A357-F360 PolarHBondContact O-N 3.06Å; A357-I361 PolarHBondContact O-N 3.05Å |
| 358 | D | 88.6 | Confident | 85.3 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 33% | 0.326 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.9 | -39.2 | 177.8 | -70.4 | -25.1 | 0 | 0 | 0 | 111.6 | P347 F360 I361 E362 | P347-D358 VanDerWaalsContact C-CG 3.47Å; P347-D358 VanDerWaalsContact CA-OD2 3.24Å; P347-D358 WeakPolarHBondContact CA-OD2 3.48Å; P347-D358 PolarHBondContact O-N 2.82Å; D358-F360 PolarHBondContact O-N 2.81Å; D358-I361 WeakPolarHBondContact O-CB 3.46Å; D358-I361 PolarHBondContact O-N 2.88Å; D358-I361 VanDerWaalsContact O-N 3.08Å; D358-E362 PolarHBondContact O-N 3.41Å |
| 359 | K | 88.2 | Confident | 85.2 | Confident | 131 Ų | 131 | 52.5 Ų | 52.5 | 57% | 0.57 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.2 | -26.2 | 174.9 | -70.5 | -176.4 | 179.1 | 178.3 | 0 | 113.6 | V317 A357 R363 | V317-K359 HydrophobicContact CG1-CB 3.52Å; V317-K359 HydrophobicContact CG2-CB 4.21Å; V317-K359 HydrophobicContact CG2-CD 4.2Å; A357-K359 PolarHBondContact O-N 3.13Å; K359-R363 WeakPolarHBondContact O-CB 3.39Å; K359-R363 PolarHBondContact O-N 2.9Å |
| 360 | F | 87.3 | Confident | 85 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.6 | -41 | 174.3 | -179.9 | -93.3 | 0 | 0 | 0 | 109.9 | V317 W319 I356 A357 D358 R363 C364 L481 | V317-F360 HydrophobicContact CG1-CB 4.17Å; V317-F360 WeakPolarHBondContact O-CD2 3.48Å; W319-F360 AromaticContact CD1-CZ 3.75Å; I356-F360 HydrophobicContact CG2-CB 4.26Å; I356-F360 HydrophobicContact CG2-CD1 3.58Å; I356-F360 HydrophobicContact CG2-CE1 4.36Å; I356-F360 HydrophobicContact CG2-CG 4.3Å; A357-F360 HydrophobicContact CB-CB 4.18Å; A357-F360 WeakPolarHBondContact O-CA 3.41Å; A357-F360 VanDerWaalsContact O-CB 3.25Å; A357-F360 WeakPolarHBondContact O-CB 3.22Å; A357-F360 PolarHBondContact O-N 3.06Å; D358-F360 PolarHBondContact O-N 2.81Å; F360-R363 WeakPolarHBondContact O-CB 3.37Å; F360-R363 PolarHBondContact O-N 3.25Å; F360-C364 PolarHBondContact O-N 2.97Å; F360-C364 PolarHBondContact O-SG 3.09Å; F360-C364 VanDerWaalsContact O-SG 3.38Å; F360-L481 HydrophobicContact CE1-CD2 4.46Å; F360-L481 HydrophobicContact CE2-CD2 3.88Å; F360-L481 HydrophobicContact CZ-CD2 3.52Å |
| 361 | I | 86.5 | Confident | 85 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 9% | 0.092 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 173.9 | -59 | 172.8 | 0 | 0 | 0 | 110.6 | K349 I356 A357 D358 R363 C364 E365 V496 L497 | K349-I361 HydrophobicContact CB-CD1 4.36Å; K349-I361 HydrophobicContact CD-CD1 4.4Å; I356-I361 HydrophobicContact CG2-CD1 4.29Å; I356-I361 HydrophobicContact CG2-CG1 3.87Å; A357-I361 PolarHBondContact O-N 3.05Å; D358-I361 WeakPolarHBondContact O-CB 3.46Å; D358-I361 PolarHBondContact O-N 2.88Å; D358-I361 VanDerWaalsContact O-N 3.08Å; I361-R363 VanDerWaalsContact C-N 3.27Å; I361-R363 PolarHBondContact O-N 2.86Å; I361-C364 WeakPolarHBondContact O-CB 3.25Å; I361-C364 PolarHBondContact O-N 3.15Å; I361-C364 VanDerWaalsContact O-N 3.14Å; I361-E365 PolarHBondContact O-N 3.26Å; I361-V496 HydrophobicContact CD1-CG1 4.4Å; I361-L497 HydrophobicContact CG2-CD2 3.45Å; I361-L497 VanDerWaalsContact CG2-CD2 3.45Å; I361-L497 HydrophobicContact CG2-CG 3.98Å |
| 362 | E | 86.4 | Confident | 85.3 | Confident | 121 Ų | 121 | 50.5 Ų | 50.5 | 57% | 0.565 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -59.4 | -38 | 174.6 | -69.1 | 175.7 | 179.2 | 0 | 0 | 112.2 | D358 E365 A366 | D358-E362 PolarHBondContact O-N 3.41Å; E362-E365 WeakPolarHBondContact O-CB 3.42Å; E362-E365 PolarHBondContact O-N 2.73Å; E362-A366 PolarHBondContact O-N 3.18Å; E362-A366 VanDerWaalsContact O-N 3.12Å |
| 363 | R | 85.2 | Confident | 85.4 | Confident | 150 Ų | 150 | 46.4 Ų | 46.4 | 57% | 0.566 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -67.1 | -39.4 | 175.6 | -171 | 178.9 | -178.2 | 178.2 | -0.8 | 111.8 | K359 F360 I361 E365 A366 F367 | K359-R363 WeakPolarHBondContact O-CB 3.39Å; K359-R363 PolarHBondContact O-N 2.9Å; F360-R363 WeakPolarHBondContact O-CB 3.37Å; F360-R363 PolarHBondContact O-N 3.25Å; I361-R363 VanDerWaalsContact C-N 3.27Å; I361-R363 PolarHBondContact O-N 2.86Å; R363-E365 VanDerWaalsContact C-N 3.33Å; R363-A366 WeakPolarHBondContact O-CB 3.48Å; R363-A366 PolarHBondContact O-N 3.44Å; R363-F367 HydrophobicContact CG-CE2 4.09Å; R363-F367 HydrophobicContact CG-CZ 4.05Å; R363-F367 WeakPolarHBondContact O-CD2 3.32Å; R363-F367 PolarHBondContact O-N 2.95Å |
| 364 | C | 85.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -40.6 | 173.1 | -71.1 | 0 | 0 | 0 | 0 | 111.8 | F360 I361 A366 F367 I368 L477 V493 L497 | F360-C364 PolarHBondContact O-N 2.97Å; F360-C364 PolarHBondContact O-SG 3.09Å; F360-C364 VanDerWaalsContact O-SG 3.38Å; I361-C364 WeakPolarHBondContact O-CB 3.25Å; I361-C364 PolarHBondContact O-N 3.15Å; I361-C364 VanDerWaalsContact O-N 3.14Å; C364-A366 VanDerWaalsContact C-N 3.3Å; C364-A366 PolarHBondContact O-N 3.47Å; C364-F367 PolarHBondContact O-N 3.08Å; C364-I368 PolarHBondContact O-N 3.27Å; C364-L477 HydrophobicContact CB-CD2 3.7Å; C364-V493 HydrophobicContact CB-CG1 4.16Å; C364-L497 HydrophobicContact CB-CD1 3.84Å |
| 365 | E | 84.8 | Confident | 84.9 | Confident | 55 Ų | 55 | 52.9 Ų | 52.9 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 174.4 | -166.6 | -177.6 | 171.9 | 0 | 0 | 111.6 | I361 E362 R363 F367 I368 D369 L497 T500 L501 | I361-E365 PolarHBondContact O-N 3.26Å; E362-E365 WeakPolarHBondContact O-CB 3.42Å; E362-E365 PolarHBondContact O-N 2.73Å; R363-E365 VanDerWaalsContact C-N 3.33Å; E365-F367 VanDerWaalsContact C-N 3.28Å; E365-F367 PolarHBondContact O-N 3.19Å; E365-I368 PolarHBondContact O-N 2.97Å; E365-I368 VanDerWaalsContact O-N 3.11Å; E365-D369 PolarHBondContact O-N 3.49Å; E365-L497 HydrophobicContact CB-CD2 4.04Å; E365-L497 HydrophobicContact CG-CD2 4.49Å; E365-T500 WeakPolarHBondContact OE1-CG2 3.32Å; E365-T500 WeakPolarHBondContact OE2-CG2 3.23Å; E365-L501 HydrophobicContact CG-CD2 4.24Å |
| 366 | A | 84.8 | Confident | 84.3 | Confident | 62 Ų | 62 | 52.9 Ų | 52.9 | 51% | 0.512 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.9 | -30.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E362 R363 C364 | E362-A366 PolarHBondContact O-N 3.18Å; E362-A366 VanDerWaalsContact O-N 3.12Å; R363-A366 WeakPolarHBondContact O-CB 3.48Å; R363-A366 PolarHBondContact O-N 3.44Å; C364-A366 VanDerWaalsContact C-N 3.3Å; C364-A366 PolarHBondContact O-N 3.47Å |
| 367 | F | 84.5 | Confident | 83.3 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 24% | 0.237 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.8 | -36.9 | 174.6 | -63.2 | -44.1 | 0 | 0 | 0 | 112.1 | R363 C364 E365 Q480 | R363-F367 HydrophobicContact CG-CE2 4.09Å; R363-F367 HydrophobicContact CG-CZ 4.05Å; R363-F367 WeakPolarHBondContact O-CD2 3.32Å; R363-F367 PolarHBondContact O-N 2.95Å; C364-F367 PolarHBondContact O-N 3.08Å; E365-F367 VanDerWaalsContact C-N 3.28Å; E365-F367 PolarHBondContact O-N 3.19Å; F367-Q480 HydrophobicContact CB-CB 4.28Å; F367-Q480 HydrophobicContact CB-CG 4.18Å; F367-Q480 HydrophobicContact CD1-CB 4.22Å; F367-Q480 HydrophobicContact CD1-CG 4.43Å; F367-Q480 HydrophobicContact CD2-CB 3.96Å; F367-Q480 HydrophobicContact CE2-CB 4.33Å; F367-Q480 HydrophobicContact CG-CB 3.91Å; F367-Q480 HydrophobicContact CG-CG 4.24Å |
| 368 | I | 86.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -80.6 | -23.4 | -178.1 | -58.1 | 157 | 0 | 0 | 0 | 111.1 | C364 E365 T370 Y371 L372 V473 I476 L477 L497 L501 | C364-I368 PolarHBondContact O-N 3.27Å; E365-I368 PolarHBondContact O-N 2.97Å; E365-I368 VanDerWaalsContact O-N 3.11Å; I368-T370 VanDerWaalsContact C-N 3.27Å; I368-T370 PolarHBondContact O-N 2.89Å; I368-T370 VanDerWaalsContact O-N 3.16Å; I368-Y371 HydrophobicContact CG2-CD1 4.33Å; I368-Y371 WeakPolarHBondContact O-CB 3.32Å; I368-Y371 PolarHBondContact O-N 3.23Å; I368-L372 WeakPolarHBondContact O-CB 3.27Å; I368-L372 PolarHBondContact O-N 3.33Å; I368-V473 HydrophobicContact CD1-CG1 3.59Å; I368-V473 HydrophobicContact CG1-CG1 4.22Å; I368-V473 HydrophobicContact CG2-CG2 4.46Å; I368-I476 HydrophobicContact CG1-CG2 4.37Å; I368-L477 HydrophobicContact CD1-CD1 4.21Å; I368-L477 HydrophobicContact CD1-CD2 3.84Å; I368-L477 HydrophobicContact CD1-CG 4.01Å; I368-L477 HydrophobicContact CG1-CD2 4.2Å; I368-L477 HydrophobicContact CG1-CG 4.42Å; I368-L497 HydrophobicContact CD1-CD1 3.91Å; I368-L501 HydrophobicContact CB-CD2 4.06Å; I368-L501 HydrophobicContact CD1-CD1 4.08Å; I368-L501 HydrophobicContact CD1-CD2 4.34Å; I368-L501 HydrophobicContact CG2-CD1 4.19Å; I368-L501 HydrophobicContact CG2-CD2 3.68Å |
| 369 | D | 82.7 | Confident | 81.5 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -50.7 | -42.7 | -178.1 | -177 | 38.1 | 0 | 0 | 0 | 113.6 | E365 Y371 L372 K373 Y508 | E365-D369 PolarHBondContact O-N 3.49Å; D369-Y371 PolarHBondContact O-N 3.21Å; D369-L372 PolarHBondContact O-N 3.01Å; D369-K373 WeakPolarHBondContact O-CB 3.17Å; D369-K373 VanDerWaalsContact O-CG 3.31Å; D369-K373 WeakPolarHBondContact O-CG 3.31Å; D369-K373 PolarHBondContact O-N 3.14Å; D369-K373 VanDerWaalsContact OD1-CE 3.3Å; D369-K373 WeakPolarHBondContact OD1-CE 3.49Å; D369-K373 IonicContact OD1-NZ 3.84Å; D369-K373 VanDerWaalsContact OD2-CE 3.27Å; D369-K373 WeakPolarHBondContact OD2-CE 3.44Å; D369-K373 IonicContact OD2-NZ 2.86Å; D369-K373 PolarHBondContact OD2-NZ 3.11Å; D369-Y508 WeakPolarHBondContact OD1-CE2 3.3Å; D369-Y508 PolarHBondContact OD1-OH 2.96Å |
| 370 | T | 81.6 | Confident | 80.3 | Confident | 90 Ų | 90 | 52.1 Ų | 52.1 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -67.3 | -38 | 179.2 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | I368 K374 | I368-T370 VanDerWaalsContact C-N 3.27Å; I368-T370 PolarHBondContact O-N 2.89Å; I368-T370 VanDerWaalsContact O-N 3.16Å; T370-K374 WeakPolarHBondContact O-CG 3.38Å; T370-K374 PolarHBondContact O-N 2.99Å |
| 371 | Y | 84.2 | Confident | 78.9 | Confident | 36 Ų | 36 | 57.5 Ų | 57.5 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69 | -44.3 | 174.3 | 167.2 | -94.2 | 0 | 0 | 0 | 110.4 | I368 D369 K373 K374 K375 V468 D472 I476 | I368-Y371 HydrophobicContact CG2-CD1 4.33Å; I368-Y371 WeakPolarHBondContact O-CB 3.32Å; I368-Y371 PolarHBondContact O-N 3.23Å; D369-Y371 PolarHBondContact O-N 3.21Å; Y371-K373 PolarHBondContact O-N 3.46Å; Y371-K374 PolarHBondContact O-N 2.89Å; Y371-K375 HydrophobicContact CD1-CG 4.35Å; Y371-K375 HydrophobicContact CD2-CG 4.34Å; Y371-K375 HydrophobicContact CE1-CG 3.91Å; Y371-K375 HydrophobicContact CE2-CD 4.38Å; Y371-K375 VanDerWaalsContact CE2-CE 3.46Å; Y371-K375 HydrophobicContact CE2-CG 3.96Å; Y371-K375 PolarHBondContact O-N 3.47Å; Y371-K375 VanDerWaalsContact OH-CE 3.29Å; Y371-K375 WeakPolarHBondContact OH-CE 3.38Å; Y371-V468 HydrophobicContact CE1-CG1 4.36Å; Y371-D472 HydrophobicContact CE1-CB 4.39Å; Y371-D472 HydrophobicContact CE2-CB 3.99Å; Y371-D472 VanDerWaalsContact OH-CB 3.24Å; Y371-D472 WeakPolarHBondContact OH-CB 3.37Å; Y371-D472 PolarHBondContact OH-OD2 2.85Å; Y371-I476 HydrophobicContact CD1-CD1 3.77Å; Y371-I476 HydrophobicContact CD2-CD1 3.54Å; Y371-I476 HydrophobicContact CE1-CD1 4.32Å; Y371-I476 HydrophobicContact CE2-CD1 4.08Å; Y371-I476 HydrophobicContact CG-CD1 3.35Å |
| 372 | L | 84.1 | Confident | 77.7 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -42.8 | -179.2 | -161.1 | 71.4 | 0 | 0 | 0 | 111.6 | I368 D369 K374 K375 A376 F464 V468 L501 S504 F505 Y508 | I368-L372 WeakPolarHBondContact O-CB 3.27Å; I368-L372 PolarHBondContact O-N 3.33Å; D369-L372 PolarHBondContact O-N 3.01Å; L372-K374 PolarHBondContact O-N 3.43Å; L372-K375 PolarHBondContact O-N 2.93Å; L372-A376 VanDerWaalsContact O-CB 3.23Å; L372-A376 WeakPolarHBondContact O-CB 3.42Å; L372-A376 PolarHBondContact O-N 3.35Å; L372-F464 HydrophobicContact CD1-CE2 4.35Å; L372-V468 HydrophobicContact CD1-CG2 3.83Å; L372-L501 HydrophobicContact CD2-CD2 4.26Å; L372-S504 WeakPolarHBondContact CD2-OG 3.05Å; L372-F505 HydrophobicContact CD1-CB 4.05Å; L372-F505 HydrophobicContact CD1-CD2 3.8Å; L372-F505 HydrophobicContact CD1-CG 4.37Å; L372-F505 HydrophobicContact CD2-CB 4.21Å; L372-F505 HydrophobicContact CG-CB 4.2Å; L372-F505 HydrophobicContact CG-CD2 4.1Å; L372-Y508 HydrophobicContact CD2-CD2 4.11Å; L372-Y508 HydrophobicContact CD2-CE2 4.2Å; L372-Y508 HydrophobicContact CG-CD2 4.43Å |
| 373 | K | 79.3 | Confident | 76.5 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 34% | 0.339 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58 | -45.8 | 173.8 | -78.4 | 169.3 | 178 | 163 | 0 | 112.5 | D369 Y371 A376 Q377 Y508 | D369-K373 WeakPolarHBondContact O-CB 3.17Å; D369-K373 VanDerWaalsContact O-CG 3.31Å; D369-K373 WeakPolarHBondContact O-CG 3.31Å; D369-K373 PolarHBondContact O-N 3.14Å; D369-K373 VanDerWaalsContact OD1-CE 3.3Å; D369-K373 WeakPolarHBondContact OD1-CE 3.49Å; D369-K373 IonicContact OD1-NZ 3.84Å; D369-K373 VanDerWaalsContact OD2-CE 3.27Å; D369-K373 WeakPolarHBondContact OD2-CE 3.44Å; D369-K373 IonicContact OD2-NZ 2.86Å; D369-K373 PolarHBondContact OD2-NZ 3.11Å; Y371-K373 PolarHBondContact O-N 3.46Å; K373-A376 PolarHBondContact O-N 2.97Å; K373-Q377 WeakPolarHBondContact O-CB 3.5Å; K373-Q377 VanDerWaalsContact O-CG 3.27Å; K373-Q377 WeakPolarHBondContact O-CG 3.35Å; K373-Q377 PolarHBondContact O-N 3.16Å; K373-Y508 HydrophobicContact CD-CE1 4.15Å; K373-Y508 WeakPolarHBondContact CE-OH 3.22Å; K373-Y508 HydrophobicContact CG-CD1 3.87Å; K373-Y508 HydrophobicContact CG-CD2 4.15Å; K373-Y508 HydrophobicContact CG-CE1 3.73Å; K373-Y508 HydrophobicContact CG-CE2 4Å; K373-Y508 HydrophobicContact CG-CG 4.15Å |
| 374 | K | 77.2 | Confident | 75 | Confident | 140 Ų | 140 | 56.8 Ų | 56.8 | 61% | 0.609 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 178.6 | -73.1 | 176.3 | -179.9 | 176.2 | 0 | 112 | T370 Y371 L372 Q377 T378 | T370-K374 WeakPolarHBondContact O-CG 3.38Å; T370-K374 PolarHBondContact O-N 2.99Å; Y371-K374 PolarHBondContact O-N 2.89Å; L372-K374 PolarHBondContact O-N 3.43Å; K374-Q377 PolarHBondContact O-N 3.3Å; K374-T378 WeakPolarHBondContact O-CB 3.5Å; K374-T378 PolarHBondContact O-N 3.38Å; K374-T378 PolarHBondContact O-OG1 2.92Å |
| 375 | K | 78.4 | Confident | 73.1 | Confident | 55 Ų | 55 | 62.5 Ų | 62.5 | 24% | 0.239 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 176.7 | -70.6 | -66.4 | -170.2 | 141.7 | 0 | 111.9 | Y371 L372 T378 A379 Y467 D472 F505 | Y371-K375 HydrophobicContact CD1-CG 4.35Å; Y371-K375 HydrophobicContact CD2-CG 4.34Å; Y371-K375 HydrophobicContact CE1-CG 3.91Å; Y371-K375 HydrophobicContact CE2-CD 4.38Å; Y371-K375 VanDerWaalsContact CE2-CE 3.46Å; Y371-K375 HydrophobicContact CE2-CG 3.96Å; Y371-K375 PolarHBondContact O-N 3.47Å; Y371-K375 VanDerWaalsContact OH-CE 3.29Å; Y371-K375 WeakPolarHBondContact OH-CE 3.38Å; L372-K375 PolarHBondContact O-N 2.93Å; K375-T378 PolarHBondContact O-N 3.15Å; K375-A379 VanDerWaalsContact O-CB 3.3Å; K375-A379 WeakPolarHBondContact O-CB 3.32Å; K375-A379 PolarHBondContact O-N 3.3Å; K375-Y467 WeakPolarHBondContact CD-O 3.41Å; K375-Y467 PolarHBondContact NZ-O 3.49Å; K375-D472 IonicContact NZ-OD2 2.94Å; K375-F505 HydrophobicContact CB-CE2 4.43Å |
| 376 | A | 75.6 | Confident | 71.7 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L372 K373 A379 F380 F505 I509 | L372-A376 VanDerWaalsContact O-CB 3.23Å; L372-A376 WeakPolarHBondContact O-CB 3.42Å; L372-A376 PolarHBondContact O-N 3.35Å; K373-A376 PolarHBondContact O-N 2.97Å; A376-A379 PolarHBondContact O-N 3.07Å; A376-F380 WeakPolarHBondContact O-CB 3.25Å; A376-F380 PolarHBondContact O-N 2.96Å; A376-F505 HydrophobicContact CB-CD2 3.92Å; A376-F505 HydrophobicContact CB-CE2 3.85Å; A376-I509 HydrophobicContact CB-CG1 4.12Å |
| 377 | Q | 68.5 | Low | 70.1 | Confident | 95 Ų | 95 | 59.5 Ų | 59.5 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 172.9 | -74.2 | 170.8 | -10.9 | 0 | 0 | 111.9 | K373 K374 A379 F380 H381 L512 | K373-Q377 WeakPolarHBondContact O-CB 3.5Å; K373-Q377 VanDerWaalsContact O-CG 3.27Å; K373-Q377 WeakPolarHBondContact O-CG 3.35Å; K373-Q377 PolarHBondContact O-N 3.16Å; K374-Q377 PolarHBondContact O-N 3.3Å; Q377-A379 VanDerWaalsContact C-N 3.35Å; Q377-A379 PolarHBondContact O-N 3.19Å; Q377-F380 PolarHBondContact O-N 3.26Å; Q377-H381 PolarHBondContact O-CD2 3.3Å; Q377-H381 PolarHBondContact O-N 3.49Å; Q377-L512 HydrophobicContact CG-CD1 3.97Å; Q377-L512 HydrophobicContact CG-CD2 4.34Å |
| 378 | T | 70.3 | Confident | 68.6 | Low | 58 Ų | 58 | 60.6 Ų | 60.6 | 36% | 0.356 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 179.3 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | K374 K375 H381 H382 Y467 | K374-T378 WeakPolarHBondContact O-CB 3.5Å; K374-T378 PolarHBondContact O-N 3.38Å; K374-T378 PolarHBondContact O-OG1 2.92Å; K375-T378 PolarHBondContact O-N 3.15Å; T378-H381 PolarHBondContact O-N 3.01Å; T378-H382 PolarHBondContact O-N 3.06Å; T378-H382 PolarHBondContact O-ND1 3.48Å; T378-Y467 HydrophobicContact CG2-CE1 4.3Å |
| 379 | A | 69.9 | Low | 66.3 | Low | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K375 A376 Q377 H381 E383 L463 Y467 F505 I509 | K375-A379 VanDerWaalsContact O-CB 3.3Å; K375-A379 WeakPolarHBondContact O-CB 3.32Å; K375-A379 PolarHBondContact O-N 3.3Å; A376-A379 PolarHBondContact O-N 3.07Å; Q377-A379 VanDerWaalsContact C-N 3.35Å; Q377-A379 PolarHBondContact O-N 3.19Å; A379-H381 PolarHBondContact O-N 3.38Å; A379-E383 WeakPolarHBondContact O-CB 3.38Å; A379-E383 PolarHBondContact O-N 3.47Å; A379-L463 HydrophobicContact CB-CD2 3.88Å; A379-Y467 HydrophobicContact CB-CD1 3.85Å; A379-Y467 HydrophobicContact CB-CD2 3.79Å; A379-Y467 HydrophobicContact CB-CE1 4.01Å; A379-Y467 HydrophobicContact CB-CE2 3.95Å; A379-Y467 HydrophobicContact CB-CG 3.74Å; A379-F505 HydrophobicContact CB-CZ 3.98Å; A379-I509 HydrophobicContact CB-CD1 4.41Å |
| 380 | F | 63.6 | Low | 63.8 | Low | 25 Ų | 25 | 64.9 Ų | 64.9 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 175.9 | -179.8 | -99.4 | 0 | 0 | 0 | 112.7 | A376 Q377 H384 I387 L512 V513 | A376-F380 WeakPolarHBondContact O-CB 3.25Å; A376-F380 PolarHBondContact O-N 2.96Å; Q377-F380 PolarHBondContact O-N 3.26Å; F380-H384 AromaticContact CE1-CD2 3.66Å; F380-H384 AromaticContact CZ-CD2 3.58Å; F380-H384 AromaticContact CZ-NE2 3.93Å; F380-H384 WeakPolarHBondContact O-CA 3.33Å; F380-H384 WeakPolarHBondContact O-CB 3.47Å; F380-H384 PolarHBondContact O-N 3.2Å; F380-I387 HydrophobicContact CD2-CD1 4.14Å; F380-L512 HydrophobicContact CB-CD1 3.92Å; F380-L512 HydrophobicContact CD1-CB 4.29Å; F380-L512 HydrophobicContact CD2-CB 4.01Å; F380-L512 HydrophobicContact CE2-CB 4.28Å; F380-L512 HydrophobicContact CG-CB 4.01Å; F380-L512 HydrophobicContact CG-CD1 4.24Å; F380-V513 HydrophobicContact CD2-CG2 4.05Å; F380-V513 HydrophobicContact CE2-CG2 3.69Å |
| 381 | H | 57.5 | Low | 61.5 | Low | 130 Ų | 130 | 66.2 Ų | 66.2 | 60% | 0.602 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -71.1 | -39.6 | 179.2 | -74.4 | -60.2 | 0 | 0 | 0 | 113.4 | Q377 T378 A379 | Q377-H381 PolarHBondContact O-CD2 3.3Å; Q377-H381 PolarHBondContact O-N 3.49Å; T378-H381 PolarHBondContact O-N 3.01Å; A379-H381 PolarHBondContact O-N 3.38Å |
| 382 | H | 60.4 | Low | 59 | Low | 136 Ų | 136 | 71.1 Ų | 71.1 | 63% | 0.63 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -73.9 | -36.8 | -179.5 | -78.6 | 81.2 | 0 | 0 | 0 | 112.7 | T378 Y467 | T378-H382 PolarHBondContact O-N 3.06Å; T378-H382 PolarHBondContact O-ND1 3.48Å; H382-Y467 WeakPolarHBondContact CB-OH 3.01Å |
| 383 | E | 61.8 | Low | 56.3 | Low | 61 Ų | 61 | 79.7 Ų | 79.7 | 29% | 0.285 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -108.8 | 21.2 | -175 | -63.8 | -76.4 | 169.8 | 0 | 0 | 111.9 | A379 H385 A386 I387 L463 Y467 | A379-E383 WeakPolarHBondContact O-CB 3.38Å; A379-E383 PolarHBondContact O-N 3.47Å; E383-H385 PolarHBondContact O-N 3.12Å; E383-H385 VanDerWaalsContact O-N 3.12Å; E383-A386 HydrophobicContact CB-CB 4.47Å; E383-A386 PolarHBondContact O-N 3.16Å; E383-I387 HydrophobicContact CB-CD1 4.1Å; E383-I387 HydrophobicContact CB-CG1 4.3Å; E383-I387 WeakPolarHBondContact O-CG1 3.37Å; E383-I387 PolarHBondContact O-N 3.48Å; E383-L463 HydrophobicContact CB-CD2 4.07Å; E383-L463 HydrophobicContact CG-CD2 3.93Å; E383-Y467 HydrophobicContact CG-CE2 4.46Å |
| 384 | H | 53.1 | Low | 53.8 | Low | 76 Ų | 76 | 84.9 Ų | 84.9 | 35% | 0.352 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -48.3 | -44.7 | -175 | -174.5 | -101.5 | 0 | 0 | 0 | 112.5 | F380 L388 | F380-H384 AromaticContact CE1-CD2 3.66Å; F380-H384 AromaticContact CZ-CD2 3.58Å; F380-H384 AromaticContact CZ-NE2 3.93Å; F380-H384 WeakPolarHBondContact O-CA 3.33Å; F380-H384 WeakPolarHBondContact O-CB 3.47Å; F380-H384 PolarHBondContact O-N 3.2Å; H384-L388 WeakPolarHBondContact CE1-CD1 3.28Å; H384-L388 WeakPolarHBondContact NE2-CD1 3.29Å; H384-L388 WeakPolarHBondContact O-CB 3.32Å; H384-L388 WeakPolarHBondContact O-CG 3.29Å; H384-L388 PolarHBondContact O-N 3.5Å; H384-L388 VanDerWaalsContact O-N 3.15Å |
| 385 | H | 47.3 | Very low | 51.3 | Low | 122 Ų | 122 | 86.5 Ų | 86.5 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67.5 | -44.9 | 179.2 | -133.3 | -70.8 | 0 | 0 | 0 | 111.5 | E383 I387 L388 S389 D638 | E383-H385 PolarHBondContact O-N 3.12Å; E383-H385 VanDerWaalsContact O-N 3.12Å; H385-I387 PolarHBondContact O-N 3.49Å; H385-L388 PolarHBondContact O-N 2.86Å; H385-S389 WeakPolarHBondContact O-CB 3.45Å; H385-S389 PolarHBondContact O-N 2.78Å; H385-S389 PolarHBondContact O-OG 3.16Å; H385-D638 IonicContact CD2-OD2 3.2Å; H385-D638 IonicContact NE2-OD2 2.86Å |
| 386 | A | 53.9 | Low | 48.8 | Very low | 36 Ų | 36 | 89.2 Ų | 89.2 | 30% | 0.298 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E383 L459 | E383-A386 HydrophobicContact CB-CB 4.47Å; E383-A386 PolarHBondContact O-N 3.16Å; A386-L459 HydrophobicContact CB-CD2 4.49Å |
| 387 | I | 52.3 | Low | 46.5 | Very low | 17 Ų | 17 | 94.7 Ų | 94.7 | 9% | 0.087 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 179.2 | -63.8 | 166 | 0 | 0 | 0 | 111 | F380 E383 H385 L463 I509 V513 | F380-I387 HydrophobicContact CD2-CD1 4.14Å; E383-I387 HydrophobicContact CB-CD1 4.1Å; E383-I387 HydrophobicContact CB-CG1 4.3Å; E383-I387 WeakPolarHBondContact O-CG1 3.37Å; E383-I387 PolarHBondContact O-N 3.48Å; H385-I387 PolarHBondContact O-N 3.49Å; I387-L463 HydrophobicContact CG1-CD1 4.27Å; I387-I509 HydrophobicContact CD1-CG2 4.43Å; I387-I509 HydrophobicContact CG2-CG2 4.39Å; I387-V513 HydrophobicContact CG2-CG2 3.41Å; I387-V513 VanDerWaalsContact CG2-CG2 3.41Å |
| 388 | L | 51.7 | Low | 44.4 | Very low | 77 Ų | 77 | 97.9 Ų | 97.9 | 40% | 0.403 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -86.8 | -31.5 | -178.3 | -69.1 | 173.9 | 0 | 0 | 0 | 114.2 | H384 H385 S390 | H384-L388 WeakPolarHBondContact CE1-CD1 3.28Å; H384-L388 WeakPolarHBondContact NE2-CD1 3.29Å; H384-L388 WeakPolarHBondContact O-CB 3.32Å; H384-L388 WeakPolarHBondContact O-CG 3.29Å; H384-L388 PolarHBondContact O-N 3.5Å; H384-L388 VanDerWaalsContact O-N 3.15Å; H385-L388 PolarHBondContact O-N 2.86Å; L388-S390 PolarHBondContact O-N 2.88Å |
| 389 | S | 39.5 | Very low | 42.3 | Very low | 64 Ų | 64 | 100.8 Ų | 100.8 | 45% | 0.448 | 54% | 0.54 | S | S | . | . | trans | -84.7 | 20.1 | -175.5 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | H385 P391 | H385-S389 WeakPolarHBondContact O-CB 3.45Å; H385-S389 PolarHBondContact O-N 2.78Å; H385-S389 PolarHBondContact O-OG 3.16Å; S389-P391 WeakPolarHBondContact O-CD 3.47Å; S389-P391 WeakPolarHBondContact O-CG 3.37Å | ||
| 390 | S | 30.9 | Very low | 40.3 | Very low | 66 Ų | 66 | 107.1 Ų | 107.1 | 46% | 0.462 | 57% | 0.574 | S | S | . | * | trans | -53.6 | 108 | 169.2 | 52.9 | 0 | 0 | 0 | 0 | 109.6 | L388 T392 | L388-S390 PolarHBondContact O-N 2.88Å; S390-T392 PolarHBondContact O-N 2.99Å | ||
| 391 | P | 31.4 | Very low | 38.3 | Very low | 117 Ų | 117 | 111.4 Ų | 111.4 | 76% | 0.76 | 60% | 0.602 | S | S | * | * | trans | -75.9 | 117.1 | -167 | -8.6 | 23.6 | 0 | 0 | 0 | 108.9 | S389 Q393 | S389-P391 WeakPolarHBondContact O-CD 3.47Å; S389-P391 WeakPolarHBondContact O-CG 3.37Å; P391-Q393 PolarHBondContact O-N 3Å; P391-Q393 VanDerWaalsContact O-N 3.15Å | ||
| 392 | T | 32.2 | Very low | 37 | Very low | 139 Ų | 139 | 111 Ų | 111 | 85% | 0.853 | 61% | 0.611 | S | S | * | * | trans | -70.3 | 110.9 | 160.4 | -25.3 | 0 | 0 | 0 | 0 | 105.8 | S390 Q394 | S390-T392 PolarHBondContact O-N 2.99Å; T392-Q394 PolarHBondContact O-N 3.21Å | ||
| 393 | Q | 28.6 | Very low | 35.3 | Very low | 181 Ų | 181 | 114 Ų | 114 | 85% | 0.846 | 62% | 0.623 | S | S | * | * | trans | -42.1 | 115 | -175.5 | -72.7 | 177.8 | -9.2 | 0 | 0 | 111.6 | P391 Q395 | P391-Q393 PolarHBondContact O-N 3Å; P391-Q393 VanDerWaalsContact O-N 3.15Å; Q393-Q395 PolarHBondContact O-N 2.82Å | ||
| 394 | Q | 26.9 | Very low | 33.7 | Very low | 187 Ų | 187 | 120.2 Ų | 120.2 | 87% | 0.874 | 65% | 0.651 | S | S | * | * | trans | -62 | 104.7 | 163 | -71.2 | 173.8 | -11.3 | 0 | 0 | 106.7 | T392 S396 | T392-Q394 PolarHBondContact O-N 3.21Å; Q394-S396 PolarHBondContact O-N 3.35Å | ||
| 395 | Q | 24.7 | Very low | 32.4 | Very low | 175 Ų | 175 | 121.4 Ų | 121.4 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -63.6 | 94.1 | 163 | -76.6 | 176.2 | -7.5 | 0 | 0 | 107.2 | Q393 V397 | Q393-Q395 PolarHBondContact O-N 2.82Å; Q395-V397 HydrophobicContact CB-CG2 4.46Å; Q395-V397 PolarHBondContact O-N 3.29Å | ||
| 396 | S | 23.9 | Very low | 31.6 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | -61.9 | 92.4 | 153.4 | 50.3 | 0 | 0 | 0 | 0 | 106.3 | Q394 E398 | Q394-S396 PolarHBondContact O-N 3.35Å; S396-E398 PolarHBondContact O-N 3.12Å | ||
| 397 | V | 28.6 | Very low | 30.4 | Very low | 116 Ų | 116 | 126 Ų | 126 | 70% | 0.703 | 71% | 0.707 | S | S | * | * | trans | -64.2 | 91.4 | 168 | 177.7 | 0 | 0 | 0 | 0 | 106.2 | Q395 V399 | Q395-V397 HydrophobicContact CB-CG2 4.46Å; Q395-V397 PolarHBondContact O-N 3.29Å; V397-V399 PolarHBondContact O-N 3.4Å; V397-V399 VanDerWaalsContact O-N 3.15Å | ||
| 398 | E | 24.2 | Very low | 29 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -57.1 | 115.7 | 166.7 | -123.8 | 177.2 | -178.1 | 0 | 0 | 107.4 | S396 N400 | S396-E398 PolarHBondContact O-N 3.12Å; E398-N400 PolarHBondContact O-N 3.38Å | ||
| 399 | V | 26.2 | Very low | 28 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -70.6 | 79.1 | -179.5 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | V397 T401 | V397-V399 PolarHBondContact O-N 3.4Å; V397-V399 VanDerWaalsContact O-N 3.15Å; V399-T401 VanDerWaalsContact C-N 3.3Å; V399-T401 HydrophobicContact CG1-CG2 4.23Å; V399-T401 PolarHBondContact O-N 3.4Å | ||
| 400 | N | 27.4 | Very low | 27.4 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -75.3 | 90.8 | 166 | -79.1 | -43.7 | 0 | 0 | 0 | 108.2 | E398 P402 | E398-N400 PolarHBondContact O-N 3.38Å; N400-P402 WeakPolarHBondContact O-CD 3.4Å; N400-P402 VanDerWaalsContact O-N 3.16Å | ||
| 401 | T | 22 | Very low | 27 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -49.1 | 110.8 | 172.1 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | V399 K403 | V399-T401 VanDerWaalsContact C-N 3.3Å; V399-T401 HydrophobicContact CG1-CG2 4.23Å; V399-T401 PolarHBondContact O-N 3.4Å; T401-K403 PolarHBondContact O-N 3.21Å | ||
| 402 | P | 29.4 | Very low | 26.8 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | -87 | 106.2 | 166.1 | 9.1 | 11.4 | 0 | 0 | 0 | 106.7 | N400 Q404 | N400-P402 WeakPolarHBondContact O-CD 3.4Å; N400-P402 VanDerWaalsContact O-N 3.16Å; P402-Q404 PolarHBondContact O-N 3.48Å; P402-Q404 VanDerWaalsContact O-N 3.07Å | ||
| 403 | K | 25.5 | Very low | 26.4 | Very low | 201 Ų | 201 | 145.4 Ų | 145.4 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -54.8 | 109.8 | 159.9 | -70.4 | 172.9 | 177.9 | 173.4 | 0 | 108.2 | T401 | T401-K403 PolarHBondContact O-N 3.21Š| ||
| 404 | Q | 28.6 | Very low | 26.4 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -156.9 | 101.4 | 150.9 | -110.6 | 166.1 | 38.6 | 0 | 0 | 109.6 | P402 | P402-Q404 PolarHBondContact O-N 3.48Å; P402-Q404 VanDerWaalsContact O-N 3.07Å | ||
| 405 | A | 24.6 | Very low | 26.5 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -71.3 | 119.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 406 | V | 32 | Very low | 26.6 | Very low | 127 Ų | 127 | 137 Ų | 137 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -148.3 | 100.6 | 155.5 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 407 | T | 27.4 | Very low | 27 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | 43.2 | 109 | 139 | 9.5 | 0 | 0 | 0 | 0 | 121 | S409 | T407-S409 PolarHBondContact O-N 3.49Š| ||
| 408 | L | 24.4 | Very low | 27.1 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 95% | 0.948 | 83% | 0.826 | S | S | * | * | trans | -38.3 | 113.9 | 149.9 | -146 | 79 | 0 | 0 | 0 | 114.4 | ||||
| 409 | S | 30.4 | Very low | 27.6 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 76% | 0.755 | 83% | 0.832 | S | S | * | * | trans | -158.8 | 96.1 | 151.3 | 69 | 0 | 0 | 0 | 0 | 108.7 | T407 | T407-S409 PolarHBondContact O-N 3.49Š| ||
| 410 | K | 25.3 | Very low | 28 | Very low | 217 Ų | 217 | 145.2 Ų | 145.2 | 94% | 0.943 | 83% | 0.833 | S | S | * | * | 50.9 | 98.9 | 86.9 | -150.9 | 178.6 | -170.6 | -179.8 | 0 | 113.4 | |||||
| 411 | G | 24.3 | Very low | 28.5 | Very low | 80 Ų | 80 | 148.3 Ų | 148.3 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | trans | 148 | 126.4 | 154 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 412 | G | 26.8 | Very low | 29.3 | Very low | 76 Ų | 76 | 149 Ų | 149 | 78% | 0.784 | 85% | 0.845 | S | S | * | * | trans | 82.4 | 103.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 413 | F | 22.6 | Very low | 29.5 | Very low | 227 Ų | 227 | 152.7 Ų | 152.7 | 100% | 0.996 | 85% | 0.848 | S | S | * | * | 48.1 | 106.3 | 55.3 | -96.1 | -87.6 | 0 | 0 | 0 | 113.9 | |||||
| 414 | G | 28.8 | Very low | 29.9 | Very low | 63 Ų | 63 | 150.2 Ų | 150.2 | 65% | 0.649 | 85% | 0.845 | S | S | * | * | trans | 157.2 | 93.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 415 | F | 30 | Very low | 30.1 | Very low | 216 Ų | 216 | 146.8 Ų | 146.8 | 95% | 0.947 | 84% | 0.836 | S | S | * | * | trans | 44.6 | 113.4 | 141.3 | -65.3 | -85.4 | 0 | 0 | 0 | 122 | ||||
| 416 | G | 27.2 | Very low | 30.5 | Very low | 87 Ų | 87 | 150.9 Ų | 150.9 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | 56.2 | 92.9 | 124.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 417 | A | 30.8 | Very low | 30.6 | Very low | 105 Ų | 105 | 154.1 Ų | 154.1 | 87% | 0.868 | 84% | 0.839 | S | S | * | * | trans | -126.4 | 122.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 418 | R | 32 | Very low | 30.6 | Very low | 241 Ų | 241 | 157.2 Ų | 157.2 | 91% | 0.909 | 84% | 0.841 | S | S | * | * | trans | -62.4 | 145.5 | 179.1 | -85.5 | 172.9 | 166.5 | 172 | -4.8 | 112.4 | ||||
| 419 | E | 34.1 | Very low | 30.8 | Very low | 186 Ų | 186 | 159.2 Ų | 159.2 | 87% | 0.869 | 84% | 0.838 | S | S | * | * | trans | -51.8 | 128.9 | 170.8 | -66.4 | 177.8 | 147 | 0 | 0 | 112.9 | ||||
| 420 | I | 35.4 | Very low | 30.8 | Very low | 148 Ų | 148 | 161.9 Ų | 161.9 | 76% | 0.759 | 84% | 0.844 | S | S | * | * | trans | -115.3 | 116.5 | 165.6 | -62.4 | 174 | 0 | 0 | 0 | 107.8 | T422 | I420-T422 PolarHBondContact O-N 3.23Š| ||
| 421 | K | 36.6 | Very low | 31.1 | Very low | 198 Ų | 198 | 156.7 Ų | 156.7 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | trans | -73.5 | 105.6 | 174.1 | -65.7 | -178.9 | 177.8 | -179.4 | 0 | 109.7 | ||||
| 422 | T | 39.8 | Very low | 31.5 | Very low | 129 Ų | 129 | 158.2 Ų | 158.2 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | trans | -87.5 | 117.9 | 173.2 | 50.2 | 0 | 0 | 0 | 0 | 111 | I420 | I420-T422 PolarHBondContact O-N 3.23Š| ||
| 423 | K | 32.7 | Very low | 31.7 | Very low | 198 Ų | 198 | 165 Ų | 165 | 86% | 0.861 | 84% | 0.838 | S | S | * | * | trans | -67.9 | 128.3 | 172.3 | -76.9 | -179.5 | 175.2 | 177.6 | 0 | 111 | V425 | K423-V425 PolarHBondContact O-N 2.92Š| ||
| 424 | N | 33.9 | Very low | 31.9 | Very low | 150 Ų | 150 | 164.6 Ų | 164.6 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | trans | -7.1 | 106.3 | 158.4 | -152 | 4.4 | 0 | 0 | 0 | 116.9 | ||||
| 425 | V | 34.1 | Very low | 31.7 | Very low | 117 Ų | 117 | 170.7 Ų | 170.7 | 71% | 0.709 | 84% | 0.839 | S | S | * | * | trans | -100 | 107.8 | 169.8 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | K423 K427 | K423-V425 PolarHBondContact O-N 2.92Å; V425-K427 PolarHBondContact O-N 3.26Å | ||
| 426 | K | 33 | Very low | 31.7 | Very low | 189 Ų | 189 | 166.7 Ų | 166.7 | 82% | 0.822 | 83% | 0.832 | S | S | * | * | trans | -62.4 | 101.5 | 169.4 | -75.8 | 178.1 | 174 | 177.7 | 0 | 109.5 | K428 | K426-K428 PolarHBondContact O-N 3.41Å; K426-K428 VanDerWaalsContact O-N 3.13Å | ||
| 427 | K | 33.9 | Very low | 31.5 | Very low | 195 Ų | 195 | 167.5 Ų | 167.5 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | -77.9 | 93.1 | 171.1 | -71.5 | -169.8 | 177.8 | -179.2 | 0 | 110.1 | V425 Y429 | V425-K427 PolarHBondContact O-N 3.26Å; K427-Y429 PolarHBondContact O-N 3.27Å | ||
| 428 | K | 26.4 | Very low | 31 | Very low | 190 Ų | 190 | 167.8 Ų | 167.8 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -80.3 | 90.2 | 161.4 | -79.4 | -174.7 | 171.5 | -175.9 | 0 | 109 | K426 | K426-K428 PolarHBondContact O-N 3.41Å; K426-K428 VanDerWaalsContact O-N 3.13Å | ||
| 429 | Y | 29.3 | Very low | 30.7 | Very low | 224 Ų | 224 | 161.3 Ų | 161.3 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | trans | -156.1 | 100.7 | 161.6 | -90.1 | -79.2 | 0 | 0 | 0 | 109.6 | K427 | K427-Y429 PolarHBondContact O-N 3.27Š| ||
| 430 | N | 30.3 | Very low | 30.4 | Very low | 164 Ų | 164 | 158 Ų | 158 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | -154.8 | 120.3 | 129.7 | -130.3 | -0.9 | 0 | 0 | 0 | 109.3 | |||||
| 431 | P | 32.4 | Very low | 29.9 | Very low | 107 Ų | 107 | 156 Ų | 156 | 70% | 0.695 | 81% | 0.814 | S | S | * | * | trans | -86.1 | 143.5 | -167.6 | 33 | -32.2 | 0 | 0 | 0 | 112.7 | K433 | P431-K433 PolarHBondContact O-N 3.03Š| ||
| 432 | S | 31.6 | Very low | 29.6 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -49.6 | 114.8 | 171.2 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | R434 | S432-R434 PolarHBondContact O-N 2.86Š| ||
| 433 | K | 31.2 | Very low | 29 | Very low | 219 Ų | 219 | 152.5 Ų | 152.5 | 95% | 0.952 | 81% | 0.812 | S | S | * | * | trans | -74.5 | 100.4 | 153.9 | -87.8 | -173.9 | 175.9 | 180 | 0 | 108.2 | P431 | P431-K433 PolarHBondContact O-N 3.03Š| ||
| 434 | R | 26.1 | Very low | 28.7 | Very low | 219 Ų | 219 | 149.8 Ų | 149.8 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -83 | 144.8 | 167.2 | -95.3 | 178.5 | 176.7 | 171.2 | -1.3 | 109.8 | S432 | S432-R434 PolarHBondContact O-N 2.86Š| ||
| 435 | K | 25.5 | Very low | 28.5 | Very low | 191 Ų | 191 | 148.3 Ų | 148.3 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | 74.9 | 105.7 | 151.7 | -69.9 | 177.1 | 173.7 | -172.6 | 0 | 118.5 | ||||
| 436 | T | 29 | Very low | 28.1 | Very low | 131 Ų | 131 | 151.2 Ų | 151.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | -164.5 | 90.2 | 124.3 | 47.8 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 437 | S | 22.5 | Very low | 27.8 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | 45.1 | 124.2 | 100.8 | 63.3 | 0 | 0 | 0 | 0 | 116 | |||||
| 438 | S | 22.3 | Very low | 27.3 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 78.9 | 125 | 156.4 | 61.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 439 | S | 24.9 | Very low | 27.2 | Very low | 106 Ų | 106 | 146.5 Ų | 146.5 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | 67.6 | 104.9 | 147.6 | 60 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 440 | S | 27.7 | Very low | 27 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | 160.4 | 132.3 | 103.8 | -73.1 | 0 | 0 | 0 | 0 | 110 | A442 | S440-A442 PolarHBondContact O-N 3.19Š| |||
| 441 | A | 25.4 | Very low | 26.8 | Very low | 104 Ų | 104 | 138 Ų | 138 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -62.2 | 125.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 442 | A | 30.2 | Very low | 26.5 | Very low | 88 Ų | 88 | 136.8 Ų | 136.8 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -156.9 | 109 | 148.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | S440 D444 | S440-A442 PolarHBondContact O-N 3.19Å; A442-D444 VanDerWaalsContact C-N 3.32Å; A442-D444 PolarHBondContact O-N 3.33Å | ||
| 443 | N | 26.1 | Very low | 26.5 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -68.9 | 91.4 | 171.2 | -64.4 | -45.1 | 0 | 0 | 0 | 107.8 | ||||
| 444 | D | 27.3 | Very low | 26.6 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -112.8 | 118.5 | 153.1 | -94.3 | -36.6 | 0 | 0 | 0 | 106.9 | A442 E446 | A442-D444 VanDerWaalsContact C-N 3.32Å; A442-D444 PolarHBondContact O-N 3.33Å; D444-E446 PolarHBondContact O-N 3.19Å | ||
| 445 | P | 29.5 | Very low | 27.5 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -66.7 | 108.4 | 176.8 | 28.3 | -29.1 | 0 | 0 | 0 | 106.4 | N447 | P445-N447 PolarHBondContact O-N 3Š| ||
| 446 | E | 25.3 | Very low | 28.6 | Very low | 177 Ų | 177 | 118.4 Ų | 118.4 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | -51.8 | 108.4 | 173.3 | -72.7 | -166.2 | 153.9 | 0 | 0 | 108.4 | D444 N448 | D444-E446 PolarHBondContact O-N 3.19Å; E446-N448 PolarHBondContact O-N 3.49Å | ||
| 447 | N | 26.1 | Very low | 29.8 | Very low | 141 Ų | 141 | 117.6 Ų | 117.6 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | trans | -60 | 91.2 | 171.9 | -166 | 9.2 | 0 | 0 | 0 | 106.6 | P445 F449 | P445-N447 PolarHBondContact O-N 3Å; N447-F449 WeakPolarHBondContact O-CD2 3.5Å; N447-F449 PolarHBondContact O-N 2.94Å | ||
| 448 | N | 25 | Very low | 31.5 | Very low | 131 Ų | 131 | 115.6 Ų | 115.6 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | trans | -56.1 | 111.1 | 175.6 | -94.1 | -45.1 | 0 | 0 | 0 | 107.5 | E446 S450 | E446-N448 PolarHBondContact O-N 3.49Å; N448-S450 PolarHBondContact O-N 3.26Å; N448-S450 PolarHBondContact O-OG 3.45Å | ||
| 449 | F | 23 | Very low | 33.2 | Very low | 204 Ų | 204 | 114.2 Ų | 114.2 | 90% | 0.895 | 69% | 0.694 | S | S | * | * | trans | -62.6 | 70.6 | 168.2 | -78.5 | -95.6 | 0 | 0 | 0 | 109.7 | N447 S451 | N447-F449 WeakPolarHBondContact O-CD2 3.5Å; N447-F449 PolarHBondContact O-N 2.94Å; F449-S451 PolarHBondContact O-N 3.23Å | ||
| 450 | S | 26.1 | Very low | 35 | Very low | 102 Ų | 102 | 110.2 Ų | 110.2 | 71% | 0.713 | 66% | 0.664 | S | S | * | * | trans | -83.8 | 88.5 | 169.1 | 16.9 | 0 | 0 | 0 | 0 | 108.9 | N448 G452 | N448-S450 PolarHBondContact O-N 3.26Å; N448-S450 PolarHBondContact O-OG 3.45Å; S450-G452 PolarHBondContact O-N 3.49Å | ||
| 451 | S | 26.5 | Very low | 36.8 | Very low | 108 Ų | 108 | 110.4 Ų | 110.4 | 76% | 0.755 | 65% | 0.65 | S | S | * | * | trans | -28.3 | 121.4 | 164.9 | 54.9 | 0 | 0 | 0 | 0 | 115.9 | F449 I453 | F449-S451 PolarHBondContact O-N 3.23Å; S451-I453 PolarHBondContact O-N 3.29Å | ||
| 452 | G | 26 | Very low | 38.9 | Very low | 80 Ų | 80 | 109.7 Ų | 109.7 | 83% | 0.825 | 63% | 0.632 | S | S | * | * | S | Bend | 79.9 | -11.4 | 129.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | S450 | S450-G452 PolarHBondContact O-N 3.49Š| |
| 453 | I | 31.1 | Very low | 40.8 | Very low | 128 Ų | 128 | 105.9 Ų | 105.9 | 66% | 0.656 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -104.8 | -14.8 | 173.7 | -61 | 173.2 | 0 | 0 | 0 | 111.4 | S451 D455 | S451-I453 PolarHBondContact O-N 3.29Å; I453-D455 PolarHBondContact O-N 3.36Å |
| 454 | G | 32.9 | Very low | 43.2 | Very low | 38 Ų | 38 | 98.5 Ų | 98.5 | 39% | 0.392 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.8 | -35.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115 | S456 Q457 S458 | G454-S456 VanDerWaalsContact C-N 3.33Å; G454-S456 PolarHBondContact O-N 3.44Å; G454-Q457 PolarHBondContact O-N 3.17Å; G454-S458 WeakPolarHBondContact O-CB 3.43Å; G454-S458 PolarHBondContact O-N 3.44Å; G454-S458 PolarHBondContact O-OG 3.1Å |
| 455 | D | 45.6 | Very low | 45.5 | Very low | 135 Ų | 135 | 95.1 Ų | 95.1 | 72% | 0.722 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.2 | -30 | -170.7 | -67.7 | -13.9 | 0 | 0 | 0 | 113.3 | I453 S458 L459 | I453-D455 PolarHBondContact O-N 3.36Å; D455-S458 WeakPolarHBondContact CA-OG 3.27Å; D455-S458 PolarHBondContact O-OG 3.23Å; D455-L459 WeakPolarHBondContact O-CB 3.46Å; D455-L459 PolarHBondContact O-N 3.46Å |
| 456 | S | 48.1 | Very low | 47.7 | Very low | 54 Ų | 54 | 97.3 Ų | 97.3 | 38% | 0.378 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -76.4 | -39.2 | 174.9 | -163.5 | 0 | 0 | 0 | 0 | 111 | G454 L459 I460 | G454-S456 VanDerWaalsContact C-N 3.33Å; G454-S456 PolarHBondContact O-N 3.44Å; S456-L459 PolarHBondContact O-N 2.88Å; S456-I460 WeakPolarHBondContact O-CD1 3.49Å; S456-I460 WeakPolarHBondContact O-CG1 3.48Å; S456-I460 PolarHBondContact O-N 3.37Å; S456-I460 VanDerWaalsContact O-N 3.09Å |
| 457 | Q | 53.6 | Low | 50 | Low | 115 Ų | 115 | 90.7 Ų | 90.7 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.8 | -35.1 | 178.5 | -71.1 | -174.5 | -20.3 | 0 | 0 | 113 | G454 I460 K461 | G454-Q457 PolarHBondContact O-N 3.17Å; Q457-I460 PolarHBondContact O-N 3.47Å; Q457-K461 WeakPolarHBondContact O-CB 3.41Å; Q457-K461 PolarHBondContact O-N 2.93Å |
| 458 | S | 58.4 | Low | 52.6 | Low | 62 Ų | 62 | 84.3 Ų | 84.3 | 43% | 0.434 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 175.4 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | G454 D455 I460 K461 D462 | G454-S458 WeakPolarHBondContact O-CB 3.43Å; G454-S458 PolarHBondContact O-N 3.44Å; G454-S458 PolarHBondContact O-OG 3.1Å; D455-S458 WeakPolarHBondContact CA-OG 3.27Å; D455-S458 PolarHBondContact O-OG 3.23Å; S458-I460 PolarHBondContact O-N 2.81Å; S458-K461 WeakPolarHBondContact O-CB 3.43Å; S458-K461 PolarHBondContact O-N 2.78Å; S458-D462 PolarHBondContact O-N 3.41Å |
| 459 | L | 59.3 | Low | 55.2 | Low | 82 Ų | 82 | 82.3 Ų | 82.3 | 43% | 0.429 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 177.2 | -145.9 | 136.4 | 0 | 0 | 0 | 111.2 | A386 D455 S456 K461 D462 L463 | A386-L459 HydrophobicContact CB-CD2 4.49Å; D455-L459 WeakPolarHBondContact O-CB 3.46Å; D455-L459 PolarHBondContact O-N 3.46Å; S456-L459 PolarHBondContact O-N 2.88Å; L459-K461 VanDerWaalsContact C-N 3.31Å; L459-K461 PolarHBondContact O-N 3.16Å; L459-D462 WeakPolarHBondContact O-CB 3.2Å; L459-D462 PolarHBondContact O-N 2.72Å; L459-L463 HydrophobicContact CD2-CD1 3.95Å; L459-L463 WeakPolarHBondContact O-CD1 3.18Å; L459-L463 PolarHBondContact O-N 2.95Å |
| 460 | I | 62 | Low | 57.9 | Low | 21 Ų | 21 | 74.2 Ų | 74.2 | 11% | 0.108 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -67.3 | -31.8 | 175.6 | -57.6 | 160.4 | 0 | 0 | 0 | 111.7 | S456 Q457 S458 L463 F464 F505 I506 I509 | S456-I460 WeakPolarHBondContact O-CD1 3.49Å; S456-I460 WeakPolarHBondContact O-CG1 3.48Å; S456-I460 PolarHBondContact O-N 3.37Å; S456-I460 VanDerWaalsContact O-N 3.09Å; Q457-I460 PolarHBondContact O-N 3.47Å; S458-I460 PolarHBondContact O-N 2.81Å; I460-L463 WeakPolarHBondContact O-CB 3.49Å; I460-L463 PolarHBondContact O-N 2.84Å; I460-F464 PolarHBondContact O-N 3.01Å; I460-F505 HydrophobicContact CG2-CD1 4.47Å; I460-I506 HydrophobicContact CB-CG1 4.28Å; I460-I506 HydrophobicContact CG2-CB 4.19Å; I460-I506 HydrophobicContact CG2-CG1 3.45Å; I460-I506 VanDerWaalsContact CG2-CG1 3.45Å; I460-I506 HydrophobicContact CG2-CG2 4.48Å; I460-I509 HydrophobicContact CG2-CD1 4.18Å |
| 461 | K | 65.9 | Low | 60.6 | Low | 121 Ų | 121 | 74.4 Ų | 74.4 | 53% | 0.526 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 172.4 | -176.1 | 167.9 | -169.7 | -173.9 | 0 | 111.6 | Q457 S458 L459 L463 F464 A465 | Q457-K461 WeakPolarHBondContact O-CB 3.41Å; Q457-K461 PolarHBondContact O-N 2.93Å; S458-K461 WeakPolarHBondContact O-CB 3.43Å; S458-K461 PolarHBondContact O-N 2.78Å; L459-K461 VanDerWaalsContact C-N 3.31Å; L459-K461 PolarHBondContact O-N 3.16Å; K461-L463 VanDerWaalsContact C-N 3.32Å; K461-L463 PolarHBondContact O-N 3.01Å; K461-F464 WeakPolarHBondContact O-CB 3.36Å; K461-F464 PolarHBondContact O-N 2.89Å; K461-A465 PolarHBondContact O-N 3.23Å |
| 462 | D | 69.4 | Low | 63.3 | Low | 90 Ų | 90 | 71.6 Ų | 71.6 | 48% | 0.481 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 172.7 | -85.5 | 12 | 0 | 0 | 0 | 112.4 | S458 L459 A465 R466 | S458-D462 PolarHBondContact O-N 3.41Å; L459-D462 WeakPolarHBondContact O-CB 3.2Å; L459-D462 PolarHBondContact O-N 2.72Å; D462-A465 PolarHBondContact O-N 3.16Å; D462-R466 PolarHBondContact O-N 3.11Å; D462-R466 VanDerWaalsContact O-N 3.16Å |
| 463 | L | 69.6 | Low | 66 | Low | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 173.3 | -85.7 | 138.8 | 0 | 0 | 0 | 111.7 | A379 E383 I387 L459 I460 K461 A465 R466 Y467 F505 | A379-L463 HydrophobicContact CB-CD2 3.88Å; E383-L463 HydrophobicContact CB-CD2 4.07Å; E383-L463 HydrophobicContact CG-CD2 3.93Å; I387-L463 HydrophobicContact CG1-CD1 4.27Å; L459-L463 HydrophobicContact CD2-CD1 3.95Å; L459-L463 WeakPolarHBondContact O-CD1 3.18Å; L459-L463 PolarHBondContact O-N 2.95Å; I460-L463 WeakPolarHBondContact O-CB 3.49Å; I460-L463 PolarHBondContact O-N 2.84Å; K461-L463 VanDerWaalsContact C-N 3.32Å; K461-L463 PolarHBondContact O-N 3.01Å; L463-A465 VanDerWaalsContact C-N 3.34Å; L463-A465 PolarHBondContact O-N 3.3Å; L463-R466 PolarHBondContact O-N 3.29Å; L463-Y467 HydrophobicContact CD2-CD2 4.12Å; L463-Y467 HydrophobicContact CD2-CE2 3.88Å; L463-Y467 WeakPolarHBondContact O-CD2 3.37Å; L463-Y467 PolarHBondContact O-N 3.47Å; L463-F505 HydrophobicContact CB-CE1 4.1Å |
| 464 | F | 76.8 | Confident | 68.5 | Low | 11 Ų | 11 | 65.4 Ų | 65.4 | 5% | 0.048 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.6 | -49.1 | 176.1 | -179.3 | -96.3 | 0 | 0 | 0 | 110.8 | L372 I460 K461 R466 Y467 V468 E498 L501 Q502 F505 | L372-F464 HydrophobicContact CD1-CE2 4.35Å; I460-F464 PolarHBondContact O-N 3.01Å; K461-F464 WeakPolarHBondContact O-CB 3.36Å; K461-F464 PolarHBondContact O-N 2.89Å; F464-R466 VanDerWaalsContact C-N 3.28Å; F464-R466 PolarHBondContact O-N 2.87Å; F464-Y467 PolarHBondContact O-N 3.49Å; F464-V468 HydrophobicContact CD2-CB 3.97Å; F464-V468 HydrophobicContact CD2-CG1 4.42Å; F464-V468 HydrophobicContact CD2-CG2 3.73Å; F464-V468 HydrophobicContact CE2-CB 3.83Å; F464-V468 HydrophobicContact CE2-CG1 3.77Å; F464-V468 HydrophobicContact CE2-CG2 3.81Å; F464-V468 HydrophobicContact CG-CB 4.4Å; F464-V468 HydrophobicContact CG-CG2 4.47Å; F464-V468 HydrophobicContact CZ-CB 4.13Å; F464-V468 HydrophobicContact CZ-CG1 3.82Å; F464-V468 WeakPolarHBondContact O-CB 3.02Å; F464-V468 PolarHBondContact O-N 2.95Å; F464-E498 HydrophobicContact CE1-CG 4.12Å; F464-L501 HydrophobicContact CE2-CB 4.07Å; F464-L501 HydrophobicContact CZ-CB 4.12Å; F464-Q502 HydrophobicContact CB-CG 4.21Å; F464-Q502 HydrophobicContact CD1-CB 4.36Å; F464-Q502 HydrophobicContact CD1-CG 4.15Å; F464-Q502 HydrophobicContact CD2-CB 4.26Å; F464-Q502 HydrophobicContact CD2-CG 4.29Å; F464-Q502 HydrophobicContact CE1-CB 4.36Å; F464-Q502 HydrophobicContact CE2-CB 4.25Å; F464-Q502 HydrophobicContact CG-CB 4.3Å; F464-Q502 HydrophobicContact CG-CG 3.96Å; F464-Q502 HydrophobicContact CZ-CB 4.3Å; F464-F505 HydrophobicContact CB-CD1 4.01Å; F464-F505 HydrophobicContact CB-CE1 4.2Å; F464-F505 HydrophobicContact CD2-CB 3.8Å; F464-F505 HydrophobicContact CD2-CD1 4.01Å; F464-F505 HydrophobicContact CD2-CD2 4.41Å; F464-F505 AromaticContact CD2-CG 3.84Å; F464-F505 HydrophobicContact CD2-CG 3.84Å; F464-F505 HydrophobicContact CE2-CB 4.29Å |
| 465 | A | 75.8 | Confident | 70.9 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 59% | 0.587 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.7 | -28.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K461 D462 L463 | K461-A465 PolarHBondContact O-N 3.23Å; D462-A465 PolarHBondContact O-N 3.16Å; L463-A465 VanDerWaalsContact C-N 3.34Å; L463-A465 PolarHBondContact O-N 3.3Å |
| 466 | R | 74.4 | Confident | 72.8 | Confident | 166 Ų | 166 | 61.5 Ų | 61.5 | 63% | 0.626 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -84 | -35.7 | 178.3 | -70.6 | -178.5 | -150.8 | 173.7 | 7.7 | 113.8 | D462 L463 F464 | D462-R466 PolarHBondContact O-N 3.11Å; D462-R466 VanDerWaalsContact O-N 3.16Å; L463-R466 PolarHBondContact O-N 3.29Å; F464-R466 VanDerWaalsContact C-N 3.28Å; F464-R466 PolarHBondContact O-N 2.87Å |
| 467 | Y | 74.2 | Confident | 74.5 | Confident | 38 Ų | 38 | 59 Ų | 59 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -100.6 | -28.8 | -170.5 | -77.2 | -92.4 | 0 | 0 | 0 | 113.7 | K375 T378 A379 H382 E383 L463 F464 | K375-Y467 WeakPolarHBondContact CD-O 3.41Å; K375-Y467 PolarHBondContact NZ-O 3.49Å; T378-Y467 HydrophobicContact CG2-CE1 4.3Å; A379-Y467 HydrophobicContact CB-CD1 3.85Å; A379-Y467 HydrophobicContact CB-CD2 3.79Å; A379-Y467 HydrophobicContact CB-CE1 4.01Å; A379-Y467 HydrophobicContact CB-CE2 3.95Å; A379-Y467 HydrophobicContact CB-CG 3.74Å; H382-Y467 WeakPolarHBondContact CB-OH 3.01Å; E383-Y467 HydrophobicContact CG-CE2 4.46Å; L463-Y467 HydrophobicContact CD2-CD2 4.12Å; L463-Y467 HydrophobicContact CD2-CE2 3.88Å; L463-Y467 WeakPolarHBondContact O-CD2 3.37Å; L463-Y467 PolarHBondContact O-N 3.47Å; F464-Y467 PolarHBondContact O-N 3.49Å |
| 468 | V | 80.4 | Confident | 75.9 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | trans | -104.2 | 109.8 | 179.6 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | Y371 L372 F464 V473 F505 | Y371-V468 HydrophobicContact CE1-CG1 4.36Å; L372-V468 HydrophobicContact CD1-CG2 3.83Å; F464-V468 HydrophobicContact CD2-CB 3.97Å; F464-V468 HydrophobicContact CD2-CG1 4.42Å; F464-V468 HydrophobicContact CD2-CG2 3.73Å; F464-V468 HydrophobicContact CE2-CB 3.83Å; F464-V468 HydrophobicContact CE2-CG1 3.77Å; F464-V468 HydrophobicContact CE2-CG2 3.81Å; F464-V468 HydrophobicContact CG-CB 4.4Å; F464-V468 HydrophobicContact CG-CG2 4.47Å; F464-V468 HydrophobicContact CZ-CB 4.13Å; F464-V468 HydrophobicContact CZ-CG1 3.82Å; F464-V468 WeakPolarHBondContact O-CB 3.02Å; F464-V468 PolarHBondContact O-N 2.95Å; V468-V473 HydrophobicContact CG1-CG2 4.03Å; V468-F505 HydrophobicContact CG2-CD2 3.96Å; V468-F505 HydrophobicContact CG2-CE2 3.94Å | ||
| 469 | L | 81.1 | Confident | 77.1 | Confident | 89 Ų | 89 | 58.1 Ų | 58.1 | 47% | 0.466 | 31% | 0.309 | S | S | . | . | trans | -92.2 | 127 | 174.4 | -69.1 | 167.8 | 0 | 0 | 0 | 108.8 | D471 D472 V473 | L469-D471 PolarHBondContact O-N 3.47Å; L469-D472 HydrophobicContact CB-CB 4.28Å; L469-D472 WeakPolarHBondContact O-CB 3.45Å; L469-D472 PolarHBondContact O-N 3.21Å; L469-V473 PolarHBondContact O-N 2.65Å; L469-V473 VanDerWaalsContact O-N 3.16Å | ||
| 470 | M | 79.7 | Confident | 78.3 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 17% | 0.167 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.9 | -27.8 | 177.4 | -67.2 | -56.7 | -70.9 | 0 | 0 | 112.1 | V473 R474 A494 E498 | M470-V473 WeakPolarHBondContact O-CB 3.46Å; M470-V473 PolarHBondContact O-N 2.78Å; M470-V473 HydrophobicContact SD-CG2 4.45Å; M470-R474 VanDerWaalsContact O-CG 3.29Å; M470-R474 WeakPolarHBondContact O-CG 3.4Å; M470-R474 PolarHBondContact O-N 2.71Å; M470-A494 HydrophobicContact CE-CB 4.11Å; M470-A494 VanDerWaalsContact CE-O 3.32Å; M470-A494 WeakPolarHBondContact CE-O 3.37Å; M470-E498 HydrophobicContact CE-CB 4.09Å; M470-E498 HydrophobicContact CE-CG 4.23Å; M470-E498 HydrophobicContact SD-CG 4.12Å |
| 471 | D | 81.3 | Confident | 79.3 | Confident | 106 Ų | 106 | 59.3 Ų | 59.3 | 57% | 0.567 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.3 | -35.9 | 173.1 | -63.2 | -29.6 | 0 | 0 | 0 | 112.6 | L469 R474 S475 | L469-D471 PolarHBondContact O-N 3.47Å; D471-R474 PolarHBondContact O-N 3.15Å; D471-R474 IonicContact OD1-CZ 3.02Å; D471-R474 IonicContact OD1-NH1 2.63Å; D471-R474 PolarHBondContact OD1-NH1 3.39Å; D471-S475 WeakPolarHBondContact O-CB 3.2Å; D471-S475 PolarHBondContact O-N 3.05Å |
| 472 | D | 82.8 | Confident | 79.8 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 172.4 | -71.6 | -10 | 0 | 0 | 0 | 109.7 | Y371 K375 L469 R474 S475 I476 | Y371-D472 HydrophobicContact CE1-CB 4.39Å; Y371-D472 HydrophobicContact CE2-CB 3.99Å; Y371-D472 VanDerWaalsContact OH-CB 3.24Å; Y371-D472 WeakPolarHBondContact OH-CB 3.37Å; Y371-D472 PolarHBondContact OH-OD2 2.85Å; K375-D472 IonicContact NZ-OD2 2.94Å; L469-D472 HydrophobicContact CB-CB 4.28Å; L469-D472 WeakPolarHBondContact O-CB 3.45Å; L469-D472 PolarHBondContact O-N 3.21Å; D472-R474 PolarHBondContact O-N 2.96Å; D472-S475 WeakPolarHBondContact CA-OG 3.37Å; D472-S475 PolarHBondContact O-N 2.91Å; D472-S475 PolarHBondContact O-OG 3.38Å; D472-I476 WeakPolarHBondContact O-CD1 3.3Å; D472-I476 WeakPolarHBondContact O-CG1 3.22Å; D472-I476 PolarHBondContact O-N 3.33Å |
| 473 | V | 82.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 177.7 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | I368 V468 L469 M470 S475 I476 L477 A494 L501 | I368-V473 HydrophobicContact CD1-CG1 3.59Å; I368-V473 HydrophobicContact CG1-CG1 4.22Å; I368-V473 HydrophobicContact CG2-CG2 4.46Å; V468-V473 HydrophobicContact CG1-CG2 4.03Å; L469-V473 PolarHBondContact O-N 2.65Å; L469-V473 VanDerWaalsContact O-N 3.16Å; M470-V473 WeakPolarHBondContact O-CB 3.46Å; M470-V473 PolarHBondContact O-N 2.78Å; M470-V473 HydrophobicContact SD-CG2 4.45Å; V473-S475 VanDerWaalsContact C-N 3.35Å; V473-S475 PolarHBondContact O-N 3.41Å; V473-I476 PolarHBondContact O-N 2.95Å; V473-L477 HydrophobicContact CG1-CD1 4.23Å; V473-L477 WeakPolarHBondContact O-CG 3.28Å; V473-L477 PolarHBondContact O-N 2.99Å; V473-A494 HydrophobicContact CG1-CB 4.47Å; V473-L501 HydrophobicContact CG1-CD1 4.11Å; V473-L501 HydrophobicContact CG2-CD1 4.41Å |
| 474 | R | 84.4 | Confident | 80.4 | Confident | 78 Ų | 78 | 64.8 Ų | 64.8 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 174.8 | -69.6 | 169 | -173.9 | 142.7 | 0.7 | 111.6 | M470 D471 D472 I476 L477 S478 D491 A494 D495 | M470-R474 VanDerWaalsContact O-CG 3.29Å; M470-R474 WeakPolarHBondContact O-CG 3.4Å; M470-R474 PolarHBondContact O-N 2.71Å; D471-R474 PolarHBondContact O-N 3.15Å; D471-R474 IonicContact OD1-CZ 3.02Å; D471-R474 IonicContact OD1-NH1 2.63Å; D471-R474 PolarHBondContact OD1-NH1 3.39Å; D472-R474 PolarHBondContact O-N 2.96Å; R474-I476 PolarHBondContact O-N 3.16Å; R474-L477 PolarHBondContact O-N 3.09Å; R474-S478 WeakPolarHBondContact O-CB 3.45Å; R474-S478 PolarHBondContact O-N 3.49Å; R474-D491 VanDerWaalsContact CD-OD1 3.28Å; R474-D491 WeakPolarHBondContact CD-OD1 2.92Å; R474-D491 IonicContact NE-OD1 3.78Å; R474-D491 PolarHBondContact NE-OD1 3.35Å; R474-A494 HydrophobicContact CG-CB 4.13Å; R474-D495 IonicContact NH2-OD1 3.33Å |
| 475 | S | 83.6 | Confident | 80.7 | Confident | 66 Ų | 66 | 65 Ų | 65 | 46% | 0.462 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 178 | 79.6 | 0 | 0 | 0 | 0 | 112.6 | D471 D472 V473 S478 S479 | D471-S475 WeakPolarHBondContact O-CB 3.2Å; D471-S475 PolarHBondContact O-N 3.05Å; D472-S475 WeakPolarHBondContact CA-OG 3.37Å; D472-S475 PolarHBondContact O-N 2.91Å; D472-S475 PolarHBondContact O-OG 3.38Å; V473-S475 VanDerWaalsContact C-N 3.35Å; V473-S475 PolarHBondContact O-N 3.41Å; S475-S478 PolarHBondContact O-N 3.44Å; S475-S479 WeakPolarHBondContact O-CB 3.37Å; S475-S479 PolarHBondContact O-N 2.79Å; S475-S479 PolarHBondContact O-OG 3.03Å |
| 476 | I | 84.3 | Confident | 81 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.3 | -48.5 | 177.2 | -68.7 | 160.2 | 0 | 0 | 0 | 109.4 | I368 Y371 D472 V473 R474 S478 S479 Q480 | I368-I476 HydrophobicContact CG1-CG2 4.37Å; Y371-I476 HydrophobicContact CD1-CD1 3.77Å; Y371-I476 HydrophobicContact CD2-CD1 3.54Å; Y371-I476 HydrophobicContact CE1-CD1 4.32Å; Y371-I476 HydrophobicContact CE2-CD1 4.08Å; Y371-I476 HydrophobicContact CG-CD1 3.35Å; D472-I476 WeakPolarHBondContact O-CD1 3.3Å; D472-I476 WeakPolarHBondContact O-CG1 3.22Å; D472-I476 PolarHBondContact O-N 3.33Å; V473-I476 PolarHBondContact O-N 2.95Å; R474-I476 PolarHBondContact O-N 3.16Å; I476-S478 PolarHBondContact O-N 2.73Å; I476-S479 PolarHBondContact O-N 3.26Å; I476-S479 VanDerWaalsContact O-N 3.15Å; I476-S479 PolarHBondContact O-OG 3.27Å; I476-Q480 HydrophobicContact CG2-CG 4.26Å; I476-Q480 WeakPolarHBondContact O-CB 3.37Å; I476-Q480 VanDerWaalsContact O-CG 3.28Å; I476-Q480 WeakPolarHBondContact O-CG 3.49Å; I476-Q480 PolarHBondContact O-N 3.27Å |
| 477 | L | 84.4 | Confident | 81.3 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 176.7 | -71.3 | 176.9 | 0 | 0 | 0 | 111.2 | C364 I368 V473 R474 S479 Q480 L481 I490 A494 | C364-L477 HydrophobicContact CB-CD2 3.7Å; I368-L477 HydrophobicContact CD1-CD1 4.21Å; I368-L477 HydrophobicContact CD1-CD2 3.84Å; I368-L477 HydrophobicContact CD1-CG 4.01Å; I368-L477 HydrophobicContact CG1-CD2 4.2Å; I368-L477 HydrophobicContact CG1-CG 4.42Å; V473-L477 HydrophobicContact CG1-CD1 4.23Å; V473-L477 WeakPolarHBondContact O-CG 3.28Å; V473-L477 PolarHBondContact O-N 2.99Å; R474-L477 PolarHBondContact O-N 3.09Å; L477-S479 PolarHBondContact O-N 3.47Å; L477-Q480 PolarHBondContact O-N 2.65Å; L477-L481 HydrophobicContact CB-CD1 4.1Å; L477-L481 HydrophobicContact CD2-CD1 4.34Å; L477-L481 VanDerWaalsContact O-CB 3.27Å; L477-L481 WeakPolarHBondContact O-CB 3.33Å; L477-L481 WeakPolarHBondContact O-CD1 3.38Å; L477-L481 WeakPolarHBondContact O-CG 3.5Å; L477-L481 PolarHBondContact O-N 3.44Å; L477-I490 HydrophobicContact CB-CG2 3.86Å; L477-I490 HydrophobicContact CD1-CG2 4.3Å; L477-A494 HydrophobicContact CD1-CB 4.3Å |
| 478 | S | 83.1 | Confident | 81.6 | Confident | 78 Ų | 78 | 62.2 Ų | 62.2 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.9 | -30 | 176.8 | -179.9 | 0 | 0 | 0 | 0 | 113.4 | R474 S475 I476 | R474-S478 WeakPolarHBondContact O-CB 3.45Å; R474-S478 PolarHBondContact O-N 3.49Å; S475-S478 PolarHBondContact O-N 3.44Å; I476-S478 PolarHBondContact O-N 2.73Å |
| 479 | S | 84.2 | Confident | 81.7 | Confident | 81 Ų | 81 | 61.9 Ų | 61.9 | 57% | 0.566 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -82 | -28.6 | 178.1 | 74.8 | 0 | 0 | 0 | 0 | 114.1 | S475 I476 L477 | S475-S479 WeakPolarHBondContact O-CB 3.37Å; S475-S479 PolarHBondContact O-N 2.79Å; S475-S479 PolarHBondContact O-OG 3.03Å; I476-S479 PolarHBondContact O-N 3.26Å; I476-S479 VanDerWaalsContact O-N 3.15Å; I476-S479 PolarHBondContact O-OG 3.27Å; L477-S479 PolarHBondContact O-N 3.47Å |
| 480 | Q | 83.2 | Confident | 81.8 | Confident | 108 Ų | 108 | 58.3 Ų | 58.3 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -97 | -26.4 | -174.7 | -63.9 | -63.2 | -39.1 | 0 | 0 | 112.9 | F367 I476 L477 | F367-Q480 HydrophobicContact CB-CB 4.28Å; F367-Q480 HydrophobicContact CB-CG 4.18Å; F367-Q480 HydrophobicContact CD1-CB 4.22Å; F367-Q480 HydrophobicContact CD1-CG 4.43Å; F367-Q480 HydrophobicContact CD2-CB 3.96Å; F367-Q480 HydrophobicContact CE2-CB 4.33Å; F367-Q480 HydrophobicContact CG-CB 3.91Å; F367-Q480 HydrophobicContact CG-CG 4.24Å; I476-Q480 HydrophobicContact CG2-CG 4.26Å; I476-Q480 WeakPolarHBondContact O-CB 3.37Å; I476-Q480 VanDerWaalsContact O-CG 3.28Å; I476-Q480 WeakPolarHBondContact O-CG 3.49Å; I476-Q480 PolarHBondContact O-N 3.27Å; L477-Q480 PolarHBondContact O-N 2.65Å |
| 481 | L | 83.6 | Confident | 82.1 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 11% | 0.105 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -82.4 | 153 | 176.4 | -73.2 | 160.2 | 0 | 0 | 0 | 111.1 | F360 L477 V485 I490 | F360-L481 HydrophobicContact CE1-CD2 4.46Å; F360-L481 HydrophobicContact CE2-CD2 3.88Å; F360-L481 HydrophobicContact CZ-CD2 3.52Å; L477-L481 HydrophobicContact CB-CD1 4.1Å; L477-L481 HydrophobicContact CD2-CD1 4.34Å; L477-L481 VanDerWaalsContact O-CB 3.27Å; L477-L481 WeakPolarHBondContact O-CB 3.33Å; L477-L481 WeakPolarHBondContact O-CD1 3.38Å; L477-L481 WeakPolarHBondContact O-CG 3.5Å; L477-L481 PolarHBondContact O-N 3.44Å; L481-V485 HydrophobicContact CB-CG2 4.13Å; L481-V485 HydrophobicContact CD2-CG2 4.46Å; L481-I490 HydrophobicContact CD1-CG1 4.38Å |
| 482 | P | 77 | Confident | 82.1 | Confident | 84 Ų | 84 | 56.1 Ų | 56.1 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | trans | -57.4 | 152.5 | 172.1 | -21.7 | 32.7 | 0 | 0 | 0 | 112.1 | D484 V485 | P482-D484 PolarHBondContact O-N 2.91Å; P482-V485 WeakPolarHBondContact O-CG2 3.19Å; P482-V485 PolarHBondContact O-N 3.16Å | ||
| 483 | S | 74.7 | Confident | 82.2 | Confident | 120 Ų | 120 | 53.9 Ų | 53.9 | 84% | 0.839 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -12.8 | 178 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | V485 | S483-V485 VanDerWaalsContact C-N 3.28Å; S483-V485 PolarHBondContact O-N 2.91Å |
| 484 | D | 76.5 | Confident | 82.3 | Confident | 129 Ų | 129 | 53.9 Ų | 53.9 | 69% | 0.69 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -9.9 | -176.8 | -56.5 | -19.9 | 0 | 0 | 0 | 112.6 | W319 P482 P486 | W319-D484 WeakPolarHBondContact CZ2-O 3.41Å; P482-D484 PolarHBondContact O-N 2.91Å; D484-P486 WeakPolarHBondContact O-CD 3.44Å |
| 485 | V | 83.1 | Confident | 82.3 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -81.1 | 120.8 | 179.7 | -171 | 0 | 0 | 0 | 0 | 110.3 | W319 L481 P482 S483 V489 I490 | W319-V485 HydrophobicContact CZ2-CB 4.47Å; W319-V485 HydrophobicContact CZ2-CG2 4.43Å; L481-V485 HydrophobicContact CB-CG2 4.13Å; L481-V485 HydrophobicContact CD2-CG2 4.46Å; P482-V485 WeakPolarHBondContact O-CG2 3.19Å; P482-V485 PolarHBondContact O-N 3.16Å; S483-V485 VanDerWaalsContact C-N 3.28Å; S483-V485 PolarHBondContact O-N 2.91Å; V485-V489 HydrophobicContact CG1-CB 3.94Å; V485-V489 HydrophobicContact CG1-CG1 3.94Å; V485-I490 HydrophobicContact CG1-CG1 4.04Å |
| 486 | P | 83.3 | Confident | 82.4 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 23% | 0.227 | 31% | 0.31 | C | S | . | . | trans | -60.9 | 149.3 | 176.5 | -22.2 | 31.4 | 0 | 0 | 0 | 112.3 | W319 D484 E488 V489 I490 | W319-P486 HydrophobicContact CH2-CG 3.72Å; W319-P486 HydrophobicContact CZ2-CG 4.42Å; W319-P486 HydrophobicContact CZ3-CG 4Å; D484-P486 WeakPolarHBondContact O-CD 3.44Å; P486-E488 WeakPolarHBondContact CB-OE2 3.37Å; P486-E488 PolarHBondContact O-N 3.26Å; P486-V489 HydrophobicContact CB-CG2 4.2Å; P486-V489 HydrophobicContact CG-CG2 4.13Å; P486-V489 PolarHBondContact O-N 3.36Å; P486-V489 VanDerWaalsContact O-N 3.15Å; P486-I490 PolarHBondContact O-N 2.69Å | ||
| 487 | S | 79.2 | Confident | 82.5 | Confident | 78 Ų | 78 | 51.6 Ų | 51.6 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.2 | -33.6 | 175.1 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | V489 I490 D491 | S487-V489 VanDerWaalsContact C-N 3.3Å; S487-V489 PolarHBondContact O-N 3.04Å; S487-I490 PolarHBondContact O-N 3.07Å; S487-I490 VanDerWaalsContact O-N 3.16Å; S487-D491 PolarHBondContact O-N 2.74Å |
| 488 | E | 80.6 | Confident | 82.4 | Confident | 102 Ų | 102 | 55.7 Ų | 55.7 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 177.5 | -60.1 | 113.6 | 173.4 | 0 | 0 | 112 | Y354 P486 I490 D491 Q492 | Y354-E488 HydrophobicContact CE2-CB 3.98Å; Y354-E488 PolarHBondContact OH-OE2 2.88Å; P486-E488 WeakPolarHBondContact CB-OE2 3.37Å; P486-E488 PolarHBondContact O-N 3.26Å; E488-I490 VanDerWaalsContact C-N 3.35Å; E488-D491 PolarHBondContact O-N 2.91Å; E488-Q492 WeakPolarHBondContact O-CB 3.23Å; E488-Q492 WeakPolarHBondContact O-CG 3.36Å; E488-Q492 PolarHBondContact O-N 3.47Å |
| 489 | V | 82.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.8 | -40 | 176.9 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | W319 Y354 I356 V485 P486 S487 V493 | W319-V489 HydrophobicContact CD2-CG2 4.42Å; W319-V489 HydrophobicContact CE3-CG2 4.08Å; W319-V489 HydrophobicContact CG-CG1 4.34Å; W319-V489 HydrophobicContact CZ3-CG2 4.43Å; Y354-V489 HydrophobicContact CD1-CG2 3.47Å; Y354-V489 VanDerWaalsContact CD1-CG2 3.47Å; Y354-V489 HydrophobicContact CD2-CG2 4.07Å; Y354-V489 HydrophobicContact CE1-CG2 3.63Å; Y354-V489 HydrophobicContact CE2-CG2 4.22Å; Y354-V489 HydrophobicContact CG-CG2 3.7Å; I356-V489 HydrophobicContact CD1-CG1 3.96Å; V485-V489 HydrophobicContact CG1-CB 3.94Å; V485-V489 HydrophobicContact CG1-CG1 3.94Å; P486-V489 HydrophobicContact CB-CG2 4.2Å; P486-V489 HydrophobicContact CG-CG2 4.13Å; P486-V489 PolarHBondContact O-N 3.36Å; P486-V489 VanDerWaalsContact O-N 3.15Å; S487-V489 VanDerWaalsContact C-N 3.3Å; S487-V489 PolarHBondContact O-N 3.04Å; V489-V493 HydrophobicContact CG1-CG2 4.21Å; V489-V493 VanDerWaalsContact O-CB 3.31Å; V489-V493 WeakPolarHBondContact O-CB 3.26Å; V489-V493 WeakPolarHBondContact O-CG2 3.36Å; V489-V493 PolarHBondContact O-N 2.59Å |
| 490 | I | 83.9 | Confident | 82.4 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 178.9 | -63.3 | 171.6 | 0 | 0 | 0 | 110.5 | L477 L481 V485 P486 S487 E488 V493 A494 | L477-I490 HydrophobicContact CB-CG2 3.86Å; L477-I490 HydrophobicContact CD1-CG2 4.3Å; L481-I490 HydrophobicContact CD1-CG1 4.38Å; V485-I490 HydrophobicContact CG1-CG1 4.04Å; P486-I490 PolarHBondContact O-N 2.69Å; S487-I490 PolarHBondContact O-N 3.07Å; S487-I490 VanDerWaalsContact O-N 3.16Å; E488-I490 VanDerWaalsContact C-N 3.35Å; I490-V493 PolarHBondContact O-N 3.43Å; I490-A494 VanDerWaalsContact O-CB 3.29Å; I490-A494 WeakPolarHBondContact O-CB 3.37Å; I490-A494 PolarHBondContact O-N 2.91Å |
| 491 | D | 85.2 | Confident | 82.5 | Confident | 65 Ų | 65 | 50.6 Ų | 50.6 | 35% | 0.348 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 178.7 | -72.7 | -32.1 | 0 | 0 | 0 | 111.3 | R474 S487 E488 V493 A494 D495 | R474-D491 VanDerWaalsContact CD-OD1 3.28Å; R474-D491 WeakPolarHBondContact CD-OD1 2.92Å; R474-D491 IonicContact NE-OD1 3.78Å; R474-D491 PolarHBondContact NE-OD1 3.35Å; S487-D491 PolarHBondContact O-N 2.74Å; E488-D491 PolarHBondContact O-N 2.91Å; D491-V493 PolarHBondContact O-N 2.8Å; D491-A494 WeakPolarHBondContact O-CB 3.39Å; D491-A494 PolarHBondContact O-N 3.37Å; D491-D495 VanDerWaalsContact O-CG 3.31Å; D491-D495 PolarHBondContact O-N 3.19Å |
| 492 | Q | 82.8 | Confident | 82.4 | Confident | 28 Ų | 28 | 51 Ų | 51 | 13% | 0.131 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 179.3 | -69.7 | 177.1 | 15.3 | 0 | 0 | 112.7 | L351 E352 E488 V496 | L351-Q492 HydrophobicContact CB-CB 4.3Å; L351-Q492 HydrophobicContact CD1-CB 3.81Å; L351-Q492 PolarHBondContact O-OE1 3.11Å; L351-Q492 VanDerWaalsContact O-OE1 3.11Å; E352-Q492 PolarHBondContact OE2-NE2 2.8Å; E488-Q492 WeakPolarHBondContact O-CB 3.23Å; E488-Q492 WeakPolarHBondContact O-CG 3.36Å; E488-Q492 PolarHBondContact O-N 3.47Å; Q492-V496 WeakPolarHBondContact O-CG2 3.36Å; Q492-V496 PolarHBondContact O-N 3.38Å; Q492-V496 VanDerWaalsContact O-N 3.11Å |
| 493 | V | 84.7 | Confident | 82.7 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 174.9 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | I356 C364 V489 I490 D491 V496 L497 | I356-V493 HydrophobicContact CD1-CG2 3.49Å; I356-V493 VanDerWaalsContact CD1-CG2 3.49Å; C364-V493 HydrophobicContact CB-CG1 4.16Å; V489-V493 HydrophobicContact CG1-CG2 4.21Å; V489-V493 VanDerWaalsContact O-CB 3.31Å; V489-V493 WeakPolarHBondContact O-CB 3.26Å; V489-V493 WeakPolarHBondContact O-CG2 3.36Å; V489-V493 PolarHBondContact O-N 2.59Å; I490-V493 PolarHBondContact O-N 3.43Å; D491-V493 PolarHBondContact O-N 2.8Å; V493-V496 PolarHBondContact O-N 3.07Å; V493-L497 HydrophobicContact CG1-CD1 3.7Å; V493-L497 HydrophobicContact CG1-CG 4.17Å; V493-L497 WeakPolarHBondContact O-CB 3.46Å; V493-L497 VanDerWaalsContact O-CG 3.27Å; V493-L497 WeakPolarHBondContact O-CG 3.49Å; V493-L497 PolarHBondContact O-N 3.39Å |
| 494 | A | 83.5 | Confident | 83 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | M470 V473 R474 L477 I490 D491 V496 L497 E498 | M470-A494 HydrophobicContact CE-CB 4.11Å; M470-A494 VanDerWaalsContact CE-O 3.32Å; M470-A494 WeakPolarHBondContact CE-O 3.37Å; V473-A494 HydrophobicContact CG1-CB 4.47Å; R474-A494 HydrophobicContact CG-CB 4.13Å; L477-A494 HydrophobicContact CD1-CB 4.3Å; I490-A494 VanDerWaalsContact O-CB 3.29Å; I490-A494 WeakPolarHBondContact O-CB 3.37Å; I490-A494 PolarHBondContact O-N 2.91Å; D491-A494 WeakPolarHBondContact O-CB 3.39Å; D491-A494 PolarHBondContact O-N 3.37Å; A494-V496 PolarHBondContact O-N 3.44Å; A494-L497 PolarHBondContact O-N 3.01Å; A494-E498 PolarHBondContact O-N 2.81Å |
| 495 | D | 85.7 | Confident | 83.2 | Confident | 89 Ų | 89 | 40.4 Ų | 40.4 | 48% | 0.476 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.5 | -39.4 | 177.6 | -67.2 | -12 | 0 | 0 | 0 | 111.8 | R474 D491 E498 | R474-D495 IonicContact NH2-OD1 3.33Å; D491-D495 VanDerWaalsContact O-CG 3.31Å; D491-D495 PolarHBondContact O-N 3.19Å; D495-E498 WeakPolarHBondContact O-CB 3.49Å; D495-E498 PolarHBondContact O-N 3.5Å |
| 496 | V | 85.3 | Confident | 82.8 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 19% | 0.194 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.9 | -38.6 | 174.6 | 168.9 | 0 | 0 | 0 | 0 | 111.9 | K349 L351 I361 Q492 V493 A494 E498 | K349-V496 HydrophobicContact CD-CG1 4.2Å; K349-V496 HydrophobicContact CD-CG2 4.46Å; K349-V496 VanDerWaalsContact NZ-CG1 3.3Å; L351-V496 HydrophobicContact CD1-CG2 3.79Å; L351-V496 HydrophobicContact CD2-CG2 3.76Å; L351-V496 HydrophobicContact CG-CG2 4.45Å; I361-V496 HydrophobicContact CD1-CG1 4.4Å; Q492-V496 WeakPolarHBondContact O-CG2 3.36Å; Q492-V496 PolarHBondContact O-N 3.38Å; Q492-V496 VanDerWaalsContact O-N 3.11Å; V493-V496 PolarHBondContact O-N 3.07Å; A494-V496 PolarHBondContact O-N 3.44Å; V496-E498 VanDerWaalsContact C-N 3.32Å |
| 497 | L | 85.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.6 | -21.9 | -179.3 | -77.5 | 175.8 | 0 | 0 | 0 | 112.8 | I361 C364 E365 I368 V493 A494 L499 T500 L501 | I361-L497 HydrophobicContact CG2-CD2 3.45Å; I361-L497 VanDerWaalsContact CG2-CD2 3.45Å; I361-L497 HydrophobicContact CG2-CG 3.98Å; C364-L497 HydrophobicContact CB-CD1 3.84Å; E365-L497 HydrophobicContact CB-CD2 4.04Å; E365-L497 HydrophobicContact CG-CD2 4.49Å; I368-L497 HydrophobicContact CD1-CD1 3.91Å; V493-L497 HydrophobicContact CG1-CD1 3.7Å; V493-L497 HydrophobicContact CG1-CG 4.17Å; V493-L497 WeakPolarHBondContact O-CB 3.46Å; V493-L497 VanDerWaalsContact O-CG 3.27Å; V493-L497 WeakPolarHBondContact O-CG 3.49Å; V493-L497 PolarHBondContact O-N 3.39Å; A494-L497 PolarHBondContact O-N 3.01Å; L497-L499 VanDerWaalsContact C-N 3.26Å; L497-L499 PolarHBondContact O-N 2.91Å; L497-L499 VanDerWaalsContact O-N 3.16Å; L497-T500 PolarHBondContact O-N 2.87Å; L497-L501 HydrophobicContact CB-CD1 3.92Å; L497-L501 HydrophobicContact CB-CG 4.13Å; L497-L501 WeakPolarHBondContact O-CB 3.47Å; L497-L501 VanDerWaalsContact O-CG 3.25Å; L497-L501 WeakPolarHBondContact O-CG 3.29Å; L497-L501 PolarHBondContact O-N 3.15Å |
| 498 | E | 82.3 | Confident | 82.4 | Confident | 87 Ų | 87 | 47.2 Ų | 47.2 | 41% | 0.407 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -48.6 | -48.1 | -176.3 | -167.8 | -176.5 | 169.6 | 0 | 0 | 112.2 | F464 M470 A494 D495 V496 T500 L501 Q502 | F464-E498 HydrophobicContact CE1-CG 4.12Å; M470-E498 HydrophobicContact CE-CB 4.09Å; M470-E498 HydrophobicContact CE-CG 4.23Å; M470-E498 HydrophobicContact SD-CG 4.12Å; A494-E498 PolarHBondContact O-N 2.81Å; D495-E498 WeakPolarHBondContact O-CB 3.49Å; D495-E498 PolarHBondContact O-N 3.5Å; V496-E498 VanDerWaalsContact C-N 3.32Å; E498-T500 PolarHBondContact O-N 3.15Å; E498-L501 PolarHBondContact O-N 2.84Å; E498-Q502 VanDerWaalsContact O-CB 3.32Å; E498-Q502 WeakPolarHBondContact O-CB 3.27Å; E498-Q502 PolarHBondContact O-N 3.21Å |
| 499 | L | 83.4 | Confident | 81.8 | Confident | 107 Ų | 107 | 42.3 Ų | 42.3 | 56% | 0.56 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -66.6 | -40.8 | -179.3 | -169.5 | 71.2 | 0 | 0 | 0 | 112.3 | L497 Q502 Q503 | L497-L499 VanDerWaalsContact C-N 3.26Å; L497-L499 PolarHBondContact O-N 2.91Å; L497-L499 VanDerWaalsContact O-N 3.16Å; L499-Q502 PolarHBondContact O-N 3.21Å; L499-Q503 WeakPolarHBondContact O-CG 3.46Å; L499-Q503 PolarHBondContact O-N 2.94Å; L499-Q503 VanDerWaalsContact O-N 3.12Å |
| 500 | T | 85 | Confident | 80.9 | Confident | 52 Ų | 52 | 43.8 Ų | 43.8 | 32% | 0.319 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.2 | -41.5 | 179.8 | -46.1 | 0 | 0 | 0 | 0 | 110.9 | E365 L497 E498 Q502 Q503 S504 | E365-T500 WeakPolarHBondContact OE1-CG2 3.32Å; E365-T500 WeakPolarHBondContact OE2-CG2 3.23Å; L497-T500 PolarHBondContact O-N 2.87Å; E498-T500 PolarHBondContact O-N 3.15Å; T500-Q502 VanDerWaalsContact C-N 3.35Å; T500-Q503 WeakPolarHBondContact O-CB 3.31Å; T500-Q503 PolarHBondContact O-N 2.94Å; T500-S504 PolarHBondContact O-N 3.04Å; T500-S504 PolarHBondContact O-OG 3.04Å |
| 501 | L | 85.3 | Confident | 80 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 174.7 | -67.4 | 174 | 0 | 0 | 0 | 111.5 | E365 I368 L372 F464 V473 L497 E498 Q503 S504 F505 | E365-L501 HydrophobicContact CG-CD2 4.24Å; I368-L501 HydrophobicContact CB-CD2 4.06Å; I368-L501 HydrophobicContact CD1-CD1 4.08Å; I368-L501 HydrophobicContact CD1-CD2 4.34Å; I368-L501 HydrophobicContact CG2-CD1 4.19Å; I368-L501 HydrophobicContact CG2-CD2 3.68Å; L372-L501 HydrophobicContact CD2-CD2 4.26Å; F464-L501 HydrophobicContact CE2-CB 4.07Å; F464-L501 HydrophobicContact CZ-CB 4.12Å; V473-L501 HydrophobicContact CG1-CD1 4.11Å; V473-L501 HydrophobicContact CG2-CD1 4.41Å; L497-L501 HydrophobicContact CB-CD1 3.92Å; L497-L501 HydrophobicContact CB-CG 4.13Å; L497-L501 WeakPolarHBondContact O-CB 3.47Å; L497-L501 VanDerWaalsContact O-CG 3.25Å; L497-L501 WeakPolarHBondContact O-CG 3.29Å; L497-L501 PolarHBondContact O-N 3.15Å; E498-L501 PolarHBondContact O-N 2.84Å; L501-Q503 VanDerWaalsContact C-N 3.32Å; L501-Q503 PolarHBondContact O-N 2.75Å; L501-S504 WeakPolarHBondContact CA-OG 3.24Å; L501-S504 PolarHBondContact O-N 3.3Å; L501-S504 PolarHBondContact O-OG 3.5Å; L501-S504 VanDerWaalsContact O-OG 3.1Å; L501-F505 WeakPolarHBondContact O-CB 3.4Å; L501-F505 PolarHBondContact O-N 3.49Å |
| 502 | Q | 81.7 | Confident | 78.9 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 13% | 0.126 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 174.1 | -166.3 | -162.4 | -24.1 | 0 | 0 | 110.7 | F464 E498 L499 T500 F505 I506 | F464-Q502 HydrophobicContact CB-CG 4.21Å; F464-Q502 HydrophobicContact CD1-CB 4.36Å; F464-Q502 HydrophobicContact CD1-CG 4.15Å; F464-Q502 HydrophobicContact CD2-CB 4.26Å; F464-Q502 HydrophobicContact CD2-CG 4.29Å; F464-Q502 HydrophobicContact CE1-CB 4.36Å; F464-Q502 HydrophobicContact CE2-CB 4.25Å; F464-Q502 HydrophobicContact CG-CB 4.3Å; F464-Q502 HydrophobicContact CG-CG 3.96Å; F464-Q502 HydrophobicContact CZ-CB 4.3Å; E498-Q502 VanDerWaalsContact O-CB 3.32Å; E498-Q502 WeakPolarHBondContact O-CB 3.27Å; E498-Q502 PolarHBondContact O-N 3.21Å; L499-Q502 PolarHBondContact O-N 3.21Å; T500-Q502 VanDerWaalsContact C-N 3.35Å; Q502-F505 PolarHBondContact O-N 3.15Å; Q502-I506 HydrophobicContact CG-CD1 4.19Å; Q502-I506 WeakPolarHBondContact O-CB 3.37Å; Q502-I506 WeakPolarHBondContact O-CD1 3.4Å; Q502-I506 WeakPolarHBondContact O-CG1 3.41Å; Q502-I506 PolarHBondContact O-N 2.84Å |
| 503 | Q | 82.6 | Confident | 77.8 | Confident | 105 Ų | 105 | 46.8 Ų | 46.8 | 49% | 0.491 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67 | -41.1 | 177.6 | -70.7 | 176.8 | 19.6 | 0 | 0 | 112.9 | L499 T500 L501 I506 R507 | L499-Q503 WeakPolarHBondContact O-CG 3.46Å; L499-Q503 PolarHBondContact O-N 2.94Å; L499-Q503 VanDerWaalsContact O-N 3.12Å; T500-Q503 WeakPolarHBondContact O-CB 3.31Å; T500-Q503 PolarHBondContact O-N 2.94Å; L501-Q503 VanDerWaalsContact C-N 3.32Å; L501-Q503 PolarHBondContact O-N 2.75Å; Q503-I506 PolarHBondContact O-N 3.25Å; Q503-R507 WeakPolarHBondContact O-CB 3.43Å; Q503-R507 PolarHBondContact O-N 2.99Å |
| 504 | S | 81.9 | Confident | 75.7 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.1 | -34.8 | 176.4 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | L372 T500 L501 R507 Y508 | L372-S504 WeakPolarHBondContact CD2-OG 3.05Å; T500-S504 PolarHBondContact O-N 3.04Å; T500-S504 PolarHBondContact O-OG 3.04Å; L501-S504 WeakPolarHBondContact CA-OG 3.24Å; L501-S504 PolarHBondContact O-N 3.3Å; L501-S504 PolarHBondContact O-OG 3.5Å; L501-S504 VanDerWaalsContact O-OG 3.1Å; S504-R507 CarbonylContact O-C 3.56Å; S504-R507 WeakPolarHBondContact O-CB 3.47Å; S504-R507 PolarHBondContact O-N 3.5Å; S504-R507 VanDerWaalsContact O-N 3.17Å; S504-Y508 WeakPolarHBondContact O-CD2 3.11Å; S504-Y508 PolarHBondContact O-N 2.91Å |
| 505 | F | 80.2 | Confident | 73.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 171.4 | -174.4 | -99.7 | 0 | 0 | 0 | 111.8 | L372 K375 A376 A379 I460 L463 F464 V468 L501 Q502 R507 Y508 I509 | L372-F505 HydrophobicContact CD1-CB 4.05Å; L372-F505 HydrophobicContact CD1-CD2 3.8Å; L372-F505 HydrophobicContact CD1-CG 4.37Å; L372-F505 HydrophobicContact CD2-CB 4.21Å; L372-F505 HydrophobicContact CG-CB 4.2Å; L372-F505 HydrophobicContact CG-CD2 4.1Å; K375-F505 HydrophobicContact CB-CE2 4.43Å; A376-F505 HydrophobicContact CB-CD2 3.92Å; A376-F505 HydrophobicContact CB-CE2 3.85Å; A379-F505 HydrophobicContact CB-CZ 3.98Å; I460-F505 HydrophobicContact CG2-CD1 4.47Å; L463-F505 HydrophobicContact CB-CE1 4.1Å; F464-F505 HydrophobicContact CB-CD1 4.01Å; F464-F505 HydrophobicContact CB-CE1 4.2Å; F464-F505 HydrophobicContact CD2-CB 3.8Å; F464-F505 HydrophobicContact CD2-CD1 4.01Å; F464-F505 HydrophobicContact CD2-CD2 4.41Å; F464-F505 AromaticContact CD2-CG 3.84Å; F464-F505 HydrophobicContact CD2-CG 3.84Å; F464-F505 HydrophobicContact CE2-CB 4.29Å; V468-F505 HydrophobicContact CG2-CD2 3.96Å; V468-F505 HydrophobicContact CG2-CE2 3.94Å; L501-F505 WeakPolarHBondContact O-CB 3.4Å; L501-F505 PolarHBondContact O-N 3.49Å; Q502-F505 PolarHBondContact O-N 3.15Å; F505-R507 VanDerWaalsContact C-N 3.25Å; F505-R507 PolarHBondContact O-N 2.96Å; F505-Y508 PolarHBondContact O-N 3.49Å; F505-Y508 VanDerWaalsContact O-N 3.16Å; F505-I509 HydrophobicContact CD1-CD1 3.88Å; F505-I509 HydrophobicContact CE1-CD1 3.27Å; F505-I509 HydrophobicContact CE1-CG1 4.25Å; F505-I509 HydrophobicContact CE2-CD1 4.46Å; F505-I509 HydrophobicContact CZ-CD1 3.62Å; F505-I509 HydrophobicContact CZ-CG1 4.43Å; F505-I509 PolarHBondContact O-N 2.74Å |
| 506 | I | 74.8 | Confident | 71.4 | Confident | 46 Ų | 46 | 54.8 Ų | 54.8 | 24% | 0.236 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.2 | -41.2 | 172.6 | -68.4 | 159.3 | 0 | 0 | 0 | 110.2 | I460 Q502 Q503 G510 | I460-I506 HydrophobicContact CB-CG1 4.28Å; I460-I506 HydrophobicContact CG2-CB 4.19Å; I460-I506 HydrophobicContact CG2-CG1 3.45Å; I460-I506 VanDerWaalsContact CG2-CG1 3.45Å; I460-I506 HydrophobicContact CG2-CG2 4.48Å; Q502-I506 HydrophobicContact CG-CD1 4.19Å; Q502-I506 WeakPolarHBondContact O-CB 3.37Å; Q502-I506 WeakPolarHBondContact O-CD1 3.4Å; Q502-I506 WeakPolarHBondContact O-CG1 3.41Å; Q502-I506 PolarHBondContact O-N 2.84Å; Q503-I506 PolarHBondContact O-N 3.25Å; I506-G510 WeakPolarHBondContact O-CA 3.16Å; I506-G510 PolarHBondContact O-N 3.47Å |
| 507 | R | 77.9 | Confident | 69.1 | Low | 173 Ų | 173 | 56.1 Ų | 56.1 | 65% | 0.653 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66.3 | -38.1 | 177 | -171.8 | -173.2 | -65.4 | 160.5 | 1.1 | 112 | Q503 S504 F505 G510 S511 | Q503-R507 WeakPolarHBondContact O-CB 3.43Å; Q503-R507 PolarHBondContact O-N 2.99Å; S504-R507 CarbonylContact O-C 3.56Å; S504-R507 WeakPolarHBondContact O-CB 3.47Å; S504-R507 PolarHBondContact O-N 3.5Å; S504-R507 VanDerWaalsContact O-N 3.17Å; F505-R507 VanDerWaalsContact C-N 3.25Å; F505-R507 PolarHBondContact O-N 2.96Å; R507-G510 CarbonylContact O-C 3.59Å; R507-G510 PolarHBondContact O-N 3.41Å; R507-S511 WeakPolarHBondContact O-CB 3.02Å; R507-S511 PolarHBondContact O-N 3.12Å |
| 508 | Y | 75.3 | Confident | 66.8 | Low | 53 Ų | 53 | 56.8 Ų | 56.8 | 21% | 0.208 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.9 | -48.2 | 177.4 | -76 | -54.9 | 0 | 0 | 0 | 111.7 | D369 L372 K373 S504 F505 G510 S511 L512 | D369-Y508 WeakPolarHBondContact OD1-CE2 3.3Å; D369-Y508 PolarHBondContact OD1-OH 2.96Å; L372-Y508 HydrophobicContact CD2-CD2 4.11Å; L372-Y508 HydrophobicContact CD2-CE2 4.2Å; L372-Y508 HydrophobicContact CG-CD2 4.43Å; K373-Y508 HydrophobicContact CD-CE1 4.15Å; K373-Y508 WeakPolarHBondContact CE-OH 3.22Å; K373-Y508 HydrophobicContact CG-CD1 3.87Å; K373-Y508 HydrophobicContact CG-CD2 4.15Å; K373-Y508 HydrophobicContact CG-CE1 3.73Å; K373-Y508 HydrophobicContact CG-CE2 4Å; K373-Y508 HydrophobicContact CG-CG 4.15Å; S504-Y508 WeakPolarHBondContact O-CD2 3.11Å; S504-Y508 PolarHBondContact O-N 2.91Å; F505-Y508 PolarHBondContact O-N 3.49Å; F505-Y508 VanDerWaalsContact O-N 3.16Å; Y508-G510 VanDerWaalsContact C-N 3.28Å; Y508-G510 PolarHBondContact O-N 2.9Å; Y508-S511 WeakPolarHBondContact CA-OG 3.38Å; Y508-S511 PolarHBondContact O-N 3.03Å; Y508-S511 VanDerWaalsContact O-N 3.07Å; Y508-S511 PolarHBondContact O-OG 3Å; Y508-L512 VanDerWaalsContact O-CG 3.32Å; Y508-L512 WeakPolarHBondContact O-CG 3.34Å; Y508-L512 PolarHBondContact O-N 3.44Å |
| 509 | I | 68.8 | Low | 64.9 | Low | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 171.5 | -69.4 | -176.7 | 0 | 0 | 0 | 109.5 | A376 A379 I387 I460 F505 S511 L512 V513 | A376-I509 HydrophobicContact CB-CG1 4.12Å; A379-I509 HydrophobicContact CB-CD1 4.41Å; I387-I509 HydrophobicContact CD1-CG2 4.43Å; I387-I509 HydrophobicContact CG2-CG2 4.39Å; I460-I509 HydrophobicContact CG2-CD1 4.18Å; F505-I509 HydrophobicContact CD1-CD1 3.88Å; F505-I509 HydrophobicContact CE1-CD1 3.27Å; F505-I509 HydrophobicContact CE1-CG1 4.25Å; F505-I509 HydrophobicContact CE2-CD1 4.46Å; F505-I509 HydrophobicContact CZ-CD1 3.62Å; F505-I509 HydrophobicContact CZ-CG1 4.43Å; F505-I509 PolarHBondContact O-N 2.74Å; I509-S511 VanDerWaalsContact C-N 3.25Å; I509-S511 PolarHBondContact O-N 2.83Å; I509-L512 CarbonylContact O-C 3.57Å; I509-L512 WeakPolarHBondContact O-CB 3.27Å; I509-L512 PolarHBondContact O-N 2.55Å; I509-V513 HydrophobicContact CG2-CG2 4.07Å; I509-V513 WeakPolarHBondContact O-CB 3.49Å; I509-V513 VanDerWaalsContact O-CG2 3.26Å; I509-V513 WeakPolarHBondContact O-CG2 3.47Å; I509-V513 PolarHBondContact O-N 2.95Å |
| 510 | G | 62.7 | Low | 62.7 | Low | 31 Ų | 31 | 54 Ų | 54 | 32% | 0.32 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54 | -40.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | I506 R507 Y508 S514 | I506-G510 WeakPolarHBondContact O-CA 3.16Å; I506-G510 PolarHBondContact O-N 3.47Å; R507-G510 CarbonylContact O-C 3.59Å; R507-G510 PolarHBondContact O-N 3.41Å; Y508-G510 VanDerWaalsContact C-N 3.28Å; Y508-G510 PolarHBondContact O-N 2.9Å; G510-S514 VanDerWaalsContact O-CA 3.23Å; G510-S514 WeakPolarHBondContact O-CA 3.06Å; G510-S514 WeakPolarHBondContact O-CB 3.25Å; G510-S514 PolarHBondContact O-N 2.68Å |
| 511 | S | 66 | Low | 60.9 | Low | 62 Ų | 62 | 55.9 Ų | 55.9 | 43% | 0.434 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -74 | -28.2 | 176.9 | 74 | 0 | 0 | 0 | 0 | 113.8 | R507 Y508 I509 S514 | R507-S511 WeakPolarHBondContact O-CB 3.02Å; R507-S511 PolarHBondContact O-N 3.12Å; Y508-S511 WeakPolarHBondContact CA-OG 3.38Å; Y508-S511 PolarHBondContact O-N 3.03Å; Y508-S511 VanDerWaalsContact O-N 3.07Å; Y508-S511 PolarHBondContact O-OG 3Å; I509-S511 VanDerWaalsContact C-N 3.25Å; I509-S511 PolarHBondContact O-N 2.83Å; S511-S514 CarbonylContact O-C 3.59Å |
| 512 | L | 62 | Low | 59.4 | Low | 59 Ų | 59 | 59.2 Ų | 59.2 | 31% | 0.309 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -75.3 | -38.3 | 173.6 | -67.6 | 167.6 | 0 | 0 | 0 | 110.9 | Q377 F380 Y508 I509 | Q377-L512 HydrophobicContact CG-CD1 3.97Å; Q377-L512 HydrophobicContact CG-CD2 4.34Å; F380-L512 HydrophobicContact CB-CD1 3.92Å; F380-L512 HydrophobicContact CD1-CB 4.29Å; F380-L512 HydrophobicContact CD2-CB 4.01Å; F380-L512 HydrophobicContact CE2-CB 4.28Å; F380-L512 HydrophobicContact CG-CB 4.01Å; F380-L512 HydrophobicContact CG-CD1 4.24Å; Y508-L512 VanDerWaalsContact O-CG 3.32Å; Y508-L512 WeakPolarHBondContact O-CG 3.34Å; Y508-L512 PolarHBondContact O-N 3.44Å; I509-L512 CarbonylContact O-C 3.57Å; I509-L512 WeakPolarHBondContact O-CB 3.27Å; I509-L512 PolarHBondContact O-N 2.55Å |
| 513 | V | 58.5 | Low | 58.4 | Low | 48 Ų | 48 | 66 Ų | 66 | 29% | 0.291 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72.3 | -35.6 | 171 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | F380 I387 I509 P515 | F380-V513 HydrophobicContact CD2-CG2 4.05Å; F380-V513 HydrophobicContact CE2-CG2 3.69Å; I387-V513 HydrophobicContact CG2-CG2 3.41Å; I387-V513 VanDerWaalsContact CG2-CG2 3.41Å; I509-V513 HydrophobicContact CG2-CG2 4.07Å; I509-V513 WeakPolarHBondContact O-CB 3.49Å; I509-V513 VanDerWaalsContact O-CG2 3.26Å; I509-V513 WeakPolarHBondContact O-CG2 3.47Å; I509-V513 PolarHBondContact O-N 2.95Å; V513-P515 WeakPolarHBondContact O-CD 3.02Å |
| 514 | S | 40.6 | Very low | 57.6 | Low | 62 Ų | 62 | 67.1 Ų | 67.1 | 43% | 0.434 | 36% | 0.363 | S | S | . | . | trans | -114.5 | 81.5 | -176.7 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | G510 S511 N516 | G510-S514 VanDerWaalsContact O-CA 3.23Å; G510-S514 WeakPolarHBondContact O-CA 3.06Å; G510-S514 WeakPolarHBondContact O-CB 3.25Å; G510-S514 PolarHBondContact O-N 2.68Å; S511-S514 CarbonylContact O-C 3.59Å; S514-N516 PolarHBondContact OG-N 2.66Å | ||
| 515 | P | 42.1 | Very low | 57.1 | Low | 62 Ų | 62 | 69.3 Ų | 69.3 | 40% | 0.403 | 37% | 0.371 | S | S | . | . | -74.3 | 117.7 | 100.3 | 24 | -4.8 | 0 | 0 | 0 | 108 | V513 A517 G518 | V513-P515 WeakPolarHBondContact O-CD 3.02Å; P515-A517 HydrophobicContact CB-CB 4.11Å; P515-A517 CarbonylContact O-C 3.56Å; P515-A517 VanDerWaalsContact O-C 3.3Å; P515-A517 PolarHBondContact O-N 2.55Å; P515-G518 WeakPolarHBondContact O-CA 3.44Å; P515-G518 PolarHBondContact O-N 3.01Å | |||
| 516 | N | 37.1 | Very low | 56.7 | Low | 136 Ų | 136 | 72.7 Ų | 72.7 | 73% | 0.727 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 5.5 | 152.7 | -92.4 | -23 | 0 | 0 | 0 | 112.7 | S514 | S514-N516 PolarHBondContact OG-N 2.66Š|
| 517 | A | 36.5 | Very low | 56.7 | Low | 60 Ų | 60 | 74 Ų | 74 | 50% | 0.496 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -59.6 | 150.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P515 A519 N520 F521 | P515-A517 HydrophobicContact CB-CB 4.11Å; P515-A517 CarbonylContact O-C 3.56Å; P515-A517 VanDerWaalsContact O-C 3.3Å; P515-A517 PolarHBondContact O-N 2.55Å; A517-A519 PolarHBondContact O-N 3.21Å; A517-N520 CarbonylContact O-C 3.57Å; A517-N520 PolarHBondContact O-N 3.14Å; A517-N520 VanDerWaalsContact O-N 3.14Å; A517-F521 VanDerWaalsContact O-CA 3.26Å; A517-F521 WeakPolarHBondContact O-CA 2.88Å; A517-F521 WeakPolarHBondContact O-CB 3.26Å; A517-F521 PolarHBondContact O-N 3.4Å |
| 518 | G | 38 | Very low | 56.8 | Low | 15 Ų | 15 | 71.4 Ų | 71.4 | 16% | 0.155 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -36.2 | -74.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | P515 N520 F521 D522 | P515-G518 WeakPolarHBondContact O-CA 3.44Å; P515-G518 PolarHBondContact O-N 3.01Å; G518-N520 VanDerWaalsContact C-N 3.28Å; G518-N520 PolarHBondContact O-N 3.44Å; G518-F521 CarbonylContact O-C 3.42Å; G518-F521 PolarHBondContact O-N 2.89Å; G518-D522 WeakPolarHBondContact O-CA 3.43Å; G518-D522 VanDerWaalsContact O-CB 3.23Å; G518-D522 WeakPolarHBondContact O-CB 3.46Å; G518-D522 PolarHBondContact O-N 3.02Å |
| 519 | A | 42 | Very low | 57.1 | Low | 53 Ų | 53 | 69.1 Ų | 69.1 | 44% | 0.438 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.3 | -33 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A517 R523 | A517-A519 PolarHBondContact O-N 3.21Å; A519-R523 WeakPolarHBondContact O-CB 3.29Å; A519-R523 PolarHBondContact O-N 3.37Å |
| 520 | N | 37.8 | Very low | 57.9 | Low | 83 Ų | 83 | 71.3 Ų | 71.3 | 44% | 0.444 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -75.9 | -27.5 | 173.9 | -88 | -30.4 | 0 | 0 | 0 | 112.9 | A517 G518 Q524 | A517-N520 CarbonylContact O-C 3.57Å; A517-N520 PolarHBondContact O-N 3.14Å; A517-N520 VanDerWaalsContact O-N 3.14Å; G518-N520 VanDerWaalsContact C-N 3.28Å; G518-N520 PolarHBondContact O-N 3.44Å; N520-Q524 WeakPolarHBondContact O-CA 3.33Å; N520-Q524 WeakPolarHBondContact O-CB 3.15Å; N520-Q524 WeakPolarHBondContact O-CG 3.5Å; N520-Q524 PolarHBondContact O-N 2.96Å |
| 521 | F | 46.3 | Very low | 58.8 | Low | 91 Ų | 91 | 75.6 Ų | 75.6 | 40% | 0.399 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -86.7 | -40.3 | -176.5 | -177.7 | -89.1 | 0 | 0 | 0 | 108.4 | A517 G518 Q524 K525 Y581 | A517-F521 VanDerWaalsContact O-CA 3.26Å; A517-F521 WeakPolarHBondContact O-CA 2.88Å; A517-F521 WeakPolarHBondContact O-CB 3.26Å; A517-F521 PolarHBondContact O-N 3.4Å; G518-F521 CarbonylContact O-C 3.42Å; G518-F521 PolarHBondContact O-N 2.89Å; F521-Q524 PolarHBondContact O-N 2.96Å; F521-K525 HydrophobicContact CD1-CD 4.49Å; F521-K525 HydrophobicContact CE1-CD 3.84Å; F521-K525 HydrophobicContact CZ-CD 4.39Å; F521-K525 WeakPolarHBondContact O-CA 2.98Å; F521-K525 WeakPolarHBondContact O-CB 3.42Å; F521-K525 PolarHBondContact O-N 2.76Å; F521-Y581 HydrophobicContact CD1-CE1 4.48Å; F521-Y581 AromaticContact CD1-CZ 3.98Å; F521-Y581 WeakPolarHBondContact CD1-OH 3.5Å; F521-Y581 HydrophobicContact CE1-CE1 4.35Å; F521-Y581 HydrophobicContact CE1-CE2 4.25Å; F521-Y581 AromaticContact CE1-CZ 3.68Å; F521-Y581 WeakPolarHBondContact CE1-OH 3.23Å |
| 522 | D | 55.5 | Low | 59.9 | Low | 71 Ų | 71 | 74.8 Ų | 74.8 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 165.8 | -64.8 | -26.9 | 0 | 0 | 0 | 109.2 | G518 K526 Y581 | G518-D522 WeakPolarHBondContact O-CA 3.43Å; G518-D522 VanDerWaalsContact O-CB 3.23Å; G518-D522 WeakPolarHBondContact O-CB 3.46Å; G518-D522 PolarHBondContact O-N 3.02Å; D522-K526 WeakPolarHBondContact O-CA 2.9Å; D522-K526 WeakPolarHBondContact O-CB 3.35Å; D522-K526 PolarHBondContact O-N 3.48Å; D522-Y581 VanDerWaalsContact OD1-CE1 3.28Å; D522-Y581 WeakPolarHBondContact OD1-CE1 3.31Å; D522-Y581 PolarHBondContact OD1-OH 3.07Å |
| 523 | R | 60.4 | Low | 61.1 | Low | 169 Ų | 169 | 72 Ų | 72 | 64% | 0.638 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 173.2 | -174.2 | 178.3 | 178.7 | -175.7 | 1.7 | 112.4 | A519 K526 L527 | A519-R523 WeakPolarHBondContact O-CB 3.29Å; A519-R523 PolarHBondContact O-N 3.37Å; R523-K526 PolarHBondContact O-N 2.72Å; R523-L527 HydrophobicContact CG-CD1 4.2Å; R523-L527 WeakPolarHBondContact O-CB 3.28Å; R523-L527 PolarHBondContact O-N 3.31Å |
| 524 | Q | 65.7 | Low | 62.5 | Low | 129 Ų | 129 | 71.3 Ų | 71.3 | 60% | 0.603 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.4 | -39.5 | 179 | -85.4 | 174.2 | -7 | 0 | 0 | 111 | N520 F521 L527 Q528 | N520-Q524 WeakPolarHBondContact O-CA 3.33Å; N520-Q524 WeakPolarHBondContact O-CB 3.15Å; N520-Q524 WeakPolarHBondContact O-CG 3.5Å; N520-Q524 PolarHBondContact O-N 2.96Å; F521-Q524 PolarHBondContact O-N 2.96Å; Q524-L527 CarbonylContact O-C 3.51Å; Q524-L527 PolarHBondContact O-N 2.71Å; Q524-Q528 WeakPolarHBondContact O-CA 3.32Å; Q524-Q528 WeakPolarHBondContact O-CB 3.13Å; Q524-Q528 PolarHBondContact O-N 3.38Å |
| 525 | K | 70.7 | Confident | 64.7 | Low | 53 Ų | 53 | 70.3 Ų | 70.3 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -73.7 | -35.7 | 176.7 | -169.9 | 169.7 | 177.9 | 179.3 | 0 | 110.4 | F521 Q528 T529 Y581 | F521-K525 HydrophobicContact CD1-CD 4.49Å; F521-K525 HydrophobicContact CE1-CD 3.84Å; F521-K525 HydrophobicContact CZ-CD 4.39Å; F521-K525 WeakPolarHBondContact O-CA 2.98Å; F521-K525 WeakPolarHBondContact O-CB 3.42Å; F521-K525 PolarHBondContact O-N 2.76Å; K525-Q528 PolarHBondContact O-N 3.45Å; K525-T529 WeakPolarHBondContact O-CB 3.19Å; K525-T529 PolarHBondContact O-N 3.01Å; K525-T529 PolarHBondContact O-OG1 3.12Å; K525-Y581 HydrophobicContact CD-CD1 3.67Å; K525-Y581 HydrophobicContact CD-CE1 3.58Å; K525-Y581 HydrophobicContact CD-CE2 4.46Å; K525-Y581 HydrophobicContact CD-CG 4.16Å; K525-Y581 VanDerWaalsContact NZ-CE2 3.33Å |
| 526 | K | 72.7 | Confident | 66.9 | Low | 70 Ų | 70 | 70 Ų | 70 | 30% | 0.304 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 168.1 | -173.9 | 169.7 | -176.2 | 158.3 | 0 | 110.8 | D522 R523 Q530 L678 G679 L680 | D522-K526 WeakPolarHBondContact O-CA 2.9Å; D522-K526 WeakPolarHBondContact O-CB 3.35Å; D522-K526 PolarHBondContact O-N 3.48Å; R523-K526 PolarHBondContact O-N 2.72Å; K526-Q530 WeakPolarHBondContact O-CB 3.35Å; K526-Q530 PolarHBondContact O-N 3.18Å; K526-L678 PolarHBondContact NZ-O 3.42Å; K526-G679 VanDerWaalsContact CE-O 3.29Å; K526-G679 WeakPolarHBondContact CE-O 3.1Å; K526-G679 PolarHBondContact NZ-O 2.66Å; K526-L680 HydrophobicContact CD-CD2 4.4Å; K526-L680 HydrophobicContact CG-CD2 3.62Å |
| 527 | L | 75 | Confident | 69.4 | Low | 75 Ų | 75 | 63.5 Ų | 63.5 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 174.2 | -120 | 104.3 | 0 | 0 | 0 | 111.4 | R523 Q524 Q530 E531 | R523-L527 HydrophobicContact CG-CD1 4.2Å; R523-L527 WeakPolarHBondContact O-CB 3.28Å; R523-L527 PolarHBondContact O-N 3.31Å; Q524-L527 CarbonylContact O-C 3.51Å; Q524-L527 PolarHBondContact O-N 2.71Å; L527-Q530 CarbonylContact O-C 3.49Å; L527-Q530 WeakPolarHBondContact O-CB 3.42Å; L527-Q530 PolarHBondContact O-N 3.32Å; L527-E531 WeakPolarHBondContact O-CB 3.16Å; L527-E531 WeakPolarHBondContact O-CG 3.22Å; L527-E531 PolarHBondContact O-N 3.33Å |
| 528 | Q | 80.1 | Confident | 71.8 | Confident | 118 Ų | 118 | 61.7 Ų | 61.7 | 55% | 0.551 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.6 | -46.7 | 179.8 | -176.4 | -178.1 | 11.6 | 0 | 0 | 110.2 | Q524 K525 Q530 E531 V532 | Q524-Q528 WeakPolarHBondContact O-CA 3.32Å; Q524-Q528 WeakPolarHBondContact O-CB 3.13Å; Q524-Q528 PolarHBondContact O-N 3.38Å; K525-Q528 PolarHBondContact O-N 3.45Å; Q528-Q530 VanDerWaalsContact C-N 3.3Å; Q528-Q530 PolarHBondContact O-N 2.78Å; Q528-E531 PolarHBondContact O-N 2.86Å; Q528-V532 HydrophobicContact CG-CG2 4.37Å; Q528-V532 VanDerWaalsContact O-CB 3.28Å; Q528-V532 WeakPolarHBondContact O-CB 3.11Å; Q528-V532 WeakPolarHBondContact O-CG2 3.43Å; Q528-V532 PolarHBondContact O-N 3.4Å |
| 529 | T | 81.4 | Confident | 74.3 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 172.7 | -64.6 | 0 | 0 | 0 | 0 | 110.2 | K525 V532 V533 H578 L680 | K525-T529 WeakPolarHBondContact O-CB 3.19Å; K525-T529 PolarHBondContact O-N 3.01Å; K525-T529 PolarHBondContact O-OG1 3.12Å; T529-V532 PolarHBondContact O-N 3.37Å; T529-V533 HydrophobicContact CG2-CG2 3.99Å; T529-V533 WeakPolarHBondContact O-CB 3.15Å; T529-V533 WeakPolarHBondContact O-CG2 3.21Å; T529-V533 PolarHBondContact O-N 3.07Å; T529-H578 HydrophobicContact CG2-CB 3.88Å; T529-L680 HydrophobicContact CG2-CD1 4.24Å |
| 530 | Q | 83.9 | Confident | 76.6 | Confident | 46 Ų | 46 | 58.9 Ų | 58.9 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 176.6 | -178.4 | -177.4 | -55.6 | 0 | 0 | 111.6 | K526 L527 Q528 N534 L680 T681 | K526-Q530 WeakPolarHBondContact O-CB 3.35Å; K526-Q530 PolarHBondContact O-N 3.18Å; L527-Q530 CarbonylContact O-C 3.49Å; L527-Q530 WeakPolarHBondContact O-CB 3.42Å; L527-Q530 PolarHBondContact O-N 3.32Å; Q528-Q530 VanDerWaalsContact C-N 3.3Å; Q528-Q530 PolarHBondContact O-N 2.78Å; Q530-N534 WeakPolarHBondContact O-CB 3.28Å; Q530-N534 PolarHBondContact O-N 3.34Å; Q530-L680 HydrophobicContact CB-CD2 4.32Å; Q530-T681 WeakPolarHBondContact CG-O 3.43Å; Q530-T681 PolarHBondContact NE2-O 3.33Å |
| 531 | E | 82.8 | Confident | 79.1 | Confident | 121 Ų | 121 | 56.9 Ų | 56.9 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.1 | -45.2 | 178 | -76 | 176.2 | -175.4 | 0 | 0 | 111.7 | L527 Q528 S535 | L527-E531 WeakPolarHBondContact O-CB 3.16Å; L527-E531 WeakPolarHBondContact O-CG 3.22Å; L527-E531 PolarHBondContact O-N 3.33Å; Q528-E531 PolarHBondContact O-N 2.86Å; E531-S535 WeakPolarHBondContact O-CB 3.18Å; E531-S535 PolarHBondContact O-N 2.79Å |
| 532 | V | 88.2 | Confident | 81.1 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 28% | 0.279 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.3 | -49.9 | 178.5 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | Q528 T529 S535 M536 Q574 | Q528-V532 HydrophobicContact CG-CG2 4.37Å; Q528-V532 VanDerWaalsContact O-CB 3.28Å; Q528-V532 WeakPolarHBondContact O-CB 3.11Å; Q528-V532 WeakPolarHBondContact O-CG2 3.43Å; Q528-V532 PolarHBondContact O-N 3.4Å; T529-V532 PolarHBondContact O-N 3.37Å; V532-S535 WeakPolarHBondContact O-CB 3.42Å; V532-S535 PolarHBondContact O-N 2.75Å; V532-M536 HydrophobicContact CG1-CE 3.54Å; V532-M536 HydrophobicContact CG1-CG 4.43Å; V532-M536 HydrophobicContact CG1-SD 3.95Å; V532-M536 WeakPolarHBondContact O-CB 3.46Å; V532-M536 VanDerWaalsContact O-CG 3.26Å; V532-M536 WeakPolarHBondContact O-CG 3.43Å; V532-M536 PolarHBondContact O-N 2.87Å; V532-Q574 HydrophobicContact CG1-CG 4.03Å |
| 533 | V | 87.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | 178.9 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | T529 S535 M536 V537 I571 Q574 L575 I682 | T529-V533 HydrophobicContact CG2-CG2 3.99Å; T529-V533 WeakPolarHBondContact O-CB 3.15Å; T529-V533 WeakPolarHBondContact O-CG2 3.21Å; T529-V533 PolarHBondContact O-N 3.07Å; V533-S535 VanDerWaalsContact C-N 3.3Å; V533-S535 PolarHBondContact O-N 2.83Å; V533-M536 PolarHBondContact O-N 3.19Å; V533-V537 HydrophobicContact CG1-CG2 4.08Å; V533-V537 WeakPolarHBondContact O-CB 3.38Å; V533-V537 VanDerWaalsContact O-CG2 3.27Å; V533-V537 WeakPolarHBondContact O-CG2 3.32Å; V533-V537 PolarHBondContact O-N 2.86Å; V533-I571 HydrophobicContact CG1-CG2 4.2Å; V533-Q574 HydrophobicContact CG2-CB 4.24Å; V533-Q574 HydrophobicContact CG2-CG 3.8Å; V533-L575 HydrophobicContact CG1-CD2 4.35Å; V533-L575 HydrophobicContact CG2-CD2 3.96Å; V533-L575 HydrophobicContact CG2-CG 4.33Å; V533-I682 HydrophobicContact CG1-CD1 3.6Å; V533-I682 HydrophobicContact CG1-CG1 4.38Å |
| 534 | N | 87.1 | Confident | 84.2 | Confident | 34 Ų | 34 | 42.4 Ų | 42.4 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 176.4 | -172.5 | 70.8 | 0 | 0 | 0 | 111.3 | Q530 L538 I682 S683 V684 | Q530-N534 WeakPolarHBondContact O-CB 3.28Å; Q530-N534 PolarHBondContact O-N 3.34Å; N534-L538 VanDerWaalsContact O-CB 3.25Å; N534-L538 WeakPolarHBondContact O-CB 3.35Å; N534-L538 PolarHBondContact O-N 3.46Å; N534-I682 HydrophobicContact CB-CG2 4.38Å; N534-I682 WeakPolarHBondContact OD1-CG2 3.49Å; N534-S683 PolarHBondContact ND2-OG 3.25Å; N534-S683 VanDerWaalsContact ND2-OG 3.09Å; N534-S683 PolarHBondContact OD1-N 3.39Å; N534-S683 VanDerWaalsContact OD1-N 3.09Å; N534-S683 PolarHBondContact OD1-OG 3.25Å; N534-V684 VanDerWaalsContact OD1-CG2 3.26Å; N534-V684 WeakPolarHBondContact OD1-CG2 3.48Å; N534-V684 PolarHBondContact OD1-N 2.83Å |
| 535 | S | 87.4 | Confident | 85.2 | Confident | 41 Ų | 41 | 40.8 Ų | 40.8 | 29% | 0.287 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 175 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | E531 V532 V533 S539 K702 | E531-S535 WeakPolarHBondContact O-CB 3.18Å; E531-S535 PolarHBondContact O-N 2.79Å; V532-S535 WeakPolarHBondContact O-CB 3.42Å; V532-S535 PolarHBondContact O-N 2.75Å; V533-S535 VanDerWaalsContact C-N 3.3Å; V533-S535 PolarHBondContact O-N 2.83Å; S535-S539 PolarHBondContact O-N 3.24Å; S535-K702 WeakPolarHBondContact OG-CE 3.36Å; S535-K702 PolarHBondContact OG-NZ 3.44Å |
| 536 | M | 89.4 | Confident | 86 | Confident | 54 Ų | 54 | 38.2 Ų | 38.2 | 27% | 0.266 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -68.1 | -45.5 | 176.9 | -71.2 | 174.8 | 174.1 | 0 | 0 | 112.1 | V532 V533 L538 S539 L540 I571 Q574 | V532-M536 HydrophobicContact CG1-CE 3.54Å; V532-M536 HydrophobicContact CG1-CG 4.43Å; V532-M536 HydrophobicContact CG1-SD 3.95Å; V532-M536 WeakPolarHBondContact O-CB 3.46Å; V532-M536 VanDerWaalsContact O-CG 3.26Å; V532-M536 WeakPolarHBondContact O-CG 3.43Å; V532-M536 PolarHBondContact O-N 2.87Å; V533-M536 PolarHBondContact O-N 3.19Å; M536-L538 VanDerWaalsContact C-N 3.33Å; M536-L538 PolarHBondContact O-N 3.21Å; M536-S539 WeakPolarHBondContact CA-OG 3.48Å; M536-S539 PolarHBondContact O-N 3.1Å; M536-S539 PolarHBondContact O-OG 3.37Å; M536-L540 PolarHBondContact O-N 2.99Å; M536-I571 HydrophobicContact CB-CD1 4.11Å; M536-I571 HydrophobicContact CB-CG1 3.58Å; M536-I571 HydrophobicContact CG-CG1 4.44Å; M536-I571 HydrophobicContact SD-CG1 4.18Å; M536-Q574 HydrophobicContact SD-CB 4.38Å |
| 537 | V | 88 | Confident | 86.7 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63 | -41.7 | 176.5 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | V533 S539 L540 Q541 I571 Y667 V684 F685 | V533-V537 HydrophobicContact CG1-CG2 4.08Å; V533-V537 WeakPolarHBondContact O-CB 3.38Å; V533-V537 VanDerWaalsContact O-CG2 3.27Å; V533-V537 WeakPolarHBondContact O-CG2 3.32Å; V533-V537 PolarHBondContact O-N 2.86Å; V537-S539 VanDerWaalsContact C-N 3.33Å; V537-S539 PolarHBondContact O-N 3.24Å; V537-L540 WeakPolarHBondContact O-CB 3.43Å; V537-L540 PolarHBondContact O-N 3.11Å; V537-Q541 PolarHBondContact O-N 2.91Å; V537-I571 HydrophobicContact CG2-CD1 4.02Å; V537-I571 HydrophobicContact CG2-CG2 4.29Å; V537-Y667 HydrophobicContact CG1-CE1 4.46Å; V537-V684 HydrophobicContact CG1-CB 4.27Å; V537-V684 HydrophobicContact CG1-CG1 3.8Å; V537-F685 HydrophobicContact CG1-CE1 3.97Å; V537-F685 HydrophobicContact CG1-CE2 4.28Å; V537-F685 HydrophobicContact CG1-CZ 3.7Å; V537-F685 HydrophobicContact CG2-CE2 4.42Å; V537-F685 HydrophobicContact CG2-CZ 4.19Å |
| 538 | L | 88.6 | Confident | 87.2 | Confident | 21 Ų | 21 | 34.3 Ų | 34.3 | 11% | 0.11 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 174.1 | -175 | 60.5 | 0 | 0 | 0 | 111.3 | N534 M536 L540 Q541 L542 V684 E699 K702 | N534-L538 VanDerWaalsContact O-CB 3.25Å; N534-L538 WeakPolarHBondContact O-CB 3.35Å; N534-L538 PolarHBondContact O-N 3.46Å; M536-L538 VanDerWaalsContact C-N 3.33Å; M536-L538 PolarHBondContact O-N 3.21Å; L538-L540 VanDerWaalsContact C-N 3.32Å; L538-L540 PolarHBondContact O-N 3.45Å; L538-Q541 PolarHBondContact O-N 3.28Å; L538-L542 HydrophobicContact CD1-CD1 4.41Å; L538-L542 HydrophobicContact CD1-CG 4.4Å; L538-L542 HydrophobicContact CG-CD1 4.15Å; L538-L542 VanDerWaalsContact O-CG 3.25Å; L538-L542 WeakPolarHBondContact O-CG 3.28Å; L538-L542 PolarHBondContact O-N 3.3Å; L538-V684 HydrophobicContact CB-CG2 3.88Å; L538-V684 HydrophobicContact CD1-CG2 4.19Å; L538-E699 HydrophobicContact CD1-CG 3.88Å; L538-K702 HydrophobicContact CD2-CB 3.71Å; L538-K702 HydrophobicContact CD2-CG 3.87Å; L538-K702 HydrophobicContact CG-CB 4.19Å; L538-K702 HydrophobicContact CG-CG 4.02Å |
| 539 | S | 89.9 | Confident | 87.3 | Confident | 10 Ų | 10 | 30.7 Ų | 30.7 | 7% | 0.07 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 176.1 | 71.6 | 0 | 0 | 0 | 0 | 112.4 | S535 M536 V537 L542 L543 | S535-S539 PolarHBondContact O-N 3.24Å; M536-S539 WeakPolarHBondContact CA-OG 3.48Å; M536-S539 PolarHBondContact O-N 3.1Å; M536-S539 PolarHBondContact O-OG 3.37Å; V537-S539 VanDerWaalsContact C-N 3.33Å; V537-S539 PolarHBondContact O-N 3.24Å; S539-L542 PolarHBondContact O-N 3.01Å; S539-L543 WeakPolarHBondContact O-CB 3.48Å; S539-L543 WeakPolarHBondContact O-CD1 3.26Å; S539-L543 VanDerWaalsContact O-CG 3.24Å; S539-L543 WeakPolarHBondContact O-CG 3.36Å; S539-L543 PolarHBondContact O-N 3.39Å |
| 540 | L | 90.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 177.9 | -175 | 65.9 | 0 | 0 | 0 | 111.4 | M536 V537 L538 L542 L543 E544 L563 I571 L663 F666 Y667 | M536-L540 PolarHBondContact O-N 2.99Å; V537-L540 WeakPolarHBondContact O-CB 3.43Å; V537-L540 PolarHBondContact O-N 3.11Å; L538-L540 VanDerWaalsContact C-N 3.32Å; L538-L540 PolarHBondContact O-N 3.45Å; L540-L542 PolarHBondContact O-N 3.5Å; L540-L543 PolarHBondContact O-N 3.37Å; L540-E544 WeakPolarHBondContact O-CB 3.5Å; L540-E544 PolarHBondContact O-N 3.05Å; L540-L563 HydrophobicContact CD1-CD1 3.76Å; L540-L563 HydrophobicContact CD1-CD2 3.97Å; L540-L563 HydrophobicContact CD1-CG 3.55Å; L540-I571 HydrophobicContact CB-CD1 4.37Å; L540-I571 HydrophobicContact CD2-CD1 3.87Å; L540-L663 HydrophobicContact CD1-CD1 3.97Å; L540-L663 HydrophobicContact CG-CD1 4.13Å; L540-F666 HydrophobicContact CD2-CD1 4.03Å; L540-F666 HydrophobicContact CD2-CE1 3.74Å; L540-Y667 HydrophobicContact CD2-CE1 3.85Å; L540-Y667 HydrophobicContact CG-CE1 4.29Å |
| 541 | Q | 89.3 | Confident | 87.3 | Confident | 41 Ų | 41 | 34 Ų | 34 | 19% | 0.192 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 177.9 | -73.9 | -175.3 | -9.5 | 0 | 0 | 113.1 | V537 L538 R545 Y667 V684 | V537-Q541 PolarHBondContact O-N 2.91Å; L538-Q541 PolarHBondContact O-N 3.28Å; Q541-R545 WeakPolarHBondContact O-CB 3.45Å; Q541-R545 PolarHBondContact O-N 2.8Å; Q541-Y667 WeakPolarHBondContact CA-OH 3.4Å; Q541-Y667 HydrophobicContact CG-CE1 3.78Å; Q541-Y667 HydrophobicContact CG-CE2 4.34Å; Q541-Y667 WeakPolarHBondContact CG-OH 3.33Å; Q541-Y667 PolarHBondContact N-OH 2.7Å; Q541-V684 HydrophobicContact CG-CG1 4.49Å |
| 542 | L | 88.9 | Confident | 87.3 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.3 | -39.8 | 178.1 | -69.2 | 176 | 0 | 0 | 0 | 112 | L538 S539 L540 R545 G546 E699 K702 A703 W749 P750 | L538-L542 HydrophobicContact CD1-CD1 4.41Å; L538-L542 HydrophobicContact CD1-CG 4.4Å; L538-L542 HydrophobicContact CG-CD1 4.15Å; L538-L542 VanDerWaalsContact O-CG 3.25Å; L538-L542 WeakPolarHBondContact O-CG 3.28Å; L538-L542 PolarHBondContact O-N 3.3Å; S539-L542 PolarHBondContact O-N 3.01Å; L540-L542 PolarHBondContact O-N 3.5Å; L542-R545 VanDerWaalsContact CD2-NH2 3.32Å; L542-R545 PolarHBondContact O-N 2.87Å; L542-G546 PolarHBondContact O-N 2.77Å; L542-G546 VanDerWaalsContact O-N 3.12Å; L542-E699 WeakPolarHBondContact CD1-O 3.18Å; L542-E699 HydrophobicContact CD2-CB 4Å; L542-E699 HydrophobicContact CD2-CG 4.06Å; L542-K702 HydrophobicContact CD1-CB 3.75Å; L542-K702 HydrophobicContact CD1-CG 3.87Å; L542-A703 HydrophobicContact CD1-CB 4.31Å; L542-W749 HydrophobicContact CD2-CE3 3.7Å; L542-W749 HydrophobicContact CD2-CZ3 3.61Å; L542-P750 HydrophobicContact CB-CG 3.86Å |
| 543 | L | 90.6 | Very high | 87 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.1 | -41.8 | 176.2 | -72.5 | 166.7 | 0 | 0 | 0 | 111.7 | S539 L540 R545 G546 I547 L563 Y567 L706 P750 T752 | S539-L543 WeakPolarHBondContact O-CB 3.48Å; S539-L543 WeakPolarHBondContact O-CD1 3.26Å; S539-L543 VanDerWaalsContact O-CG 3.24Å; S539-L543 WeakPolarHBondContact O-CG 3.36Å; S539-L543 PolarHBondContact O-N 3.39Å; L540-L543 PolarHBondContact O-N 3.37Å; L543-R545 VanDerWaalsContact C-N 3.34Å; L543-R545 PolarHBondContact O-N 2.83Å; L543-G546 PolarHBondContact O-N 3.1Å; L543-I547 VanDerWaalsContact O-CG1 3.3Å; L543-I547 WeakPolarHBondContact O-CG1 3.44Å; L543-I547 PolarHBondContact O-N 3.27Å; L543-L563 HydrophobicContact CB-CD1 3.56Å; L543-L563 HydrophobicContact CB-CD2 3.95Å; L543-L563 HydrophobicContact CB-CG 4.44Å; L543-L563 HydrophobicContact CD1-CD1 3.59Å; L543-L563 HydrophobicContact CG-CD1 4.19Å; L543-Y567 HydrophobicContact CD1-CD1 3.69Å; L543-Y567 HydrophobicContact CD1-CD2 4.11Å; L543-Y567 HydrophobicContact CD1-CE1 3.49Å; L543-Y567 VanDerWaalsContact CD1-CE1 3.49Å; L543-Y567 HydrophobicContact CD1-CE2 3.92Å; L543-Y567 HydrophobicContact CD1-CG 3.99Å; L543-L706 HydrophobicContact CG-CD1 4.46Å; L543-P750 WeakPolarHBondContact CA-O 3.34Å; L543-P750 HydrophobicContact CD2-CB 3.85Å; L543-P750 HydrophobicContact CD2-CG 4.24Å; L543-T752 HydrophobicContact CD1-CG2 4.21Å; L543-T752 HydrophobicContact CD2-CG2 4.06Å |
| 544 | E | 89.9 | Confident | 86.8 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 10% | 0.098 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.2 | -47.8 | 173.2 | -178.2 | -178.1 | -167.3 | 0 | 0 | 110.6 | L540 G546 I547 S548 L560 L563 L663 Y667 | L540-E544 WeakPolarHBondContact O-CB 3.5Å; L540-E544 PolarHBondContact O-N 3.05Å; E544-G546 VanDerWaalsContact C-N 3.28Å; E544-G546 PolarHBondContact O-N 3.36Å; E544-I547 CarbonylContact O-C 3.56Å; E544-I547 PolarHBondContact O-N 3.41Å; E544-S548 PolarHBondContact O-N 2.92Å; E544-S548 PolarHBondContact O-OG 3.21Å; E544-L560 HydrophobicContact CG-CD2 4.11Å; E544-L563 HydrophobicContact CB-CD2 4.03Å; E544-L663 HydrophobicContact CB-CD1 4.16Å; E544-L663 HydrophobicContact CG-CD1 4.19Å; E544-L663 HydrophobicContact CG-CG 4.38Å; E544-L663 WeakPolarHBondContact OE1-CB 3.32Å; E544-L663 PolarHBondContact OE1-N 3.43Å; E544-Y667 WeakPolarHBondContact OE2-CE2 3.41Å; E544-Y667 VanDerWaalsContact OE2-CZ 3.29Å; E544-Y667 PolarHBondContact OE2-OH 2.95Å |
| 545 | R | 87.7 | Confident | 86.8 | Confident | 94 Ų | 94 | 37.6 Ų | 37.6 | 36% | 0.355 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.8 | -37 | 178.4 | -173.4 | 159.1 | 64.6 | -174.8 | -5.9 | 112.9 | Q541 L542 L543 E699 W749 | Q541-R545 WeakPolarHBondContact O-CB 3.45Å; Q541-R545 PolarHBondContact O-N 2.8Å; L542-R545 VanDerWaalsContact CD2-NH2 3.32Å; L542-R545 PolarHBondContact O-N 2.87Å; L543-R545 VanDerWaalsContact C-N 3.34Å; L543-R545 PolarHBondContact O-N 2.83Å; R545-E699 IonicContact CZ-OE2 3.71Å; R545-E699 IonicContact NH1-OE2 3.17Å; R545-E699 PolarHBondContact NH1-OE2 3.46Å; R545-E699 IonicContact NH2-OE2 3.37Å; R545-E699 PolarHBondContact NH2-OE2 3.49Å; R545-W749 HydrophobicContact CG-CG 4.18Å; R545-W749 VanDerWaalsContact CZ-CZ2 3.42Å; R545-W749 VanDerWaalsContact NE-CE2 3.34Å |
| 546 | G | 85.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.8 | -33.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | L542 L543 E544 S549 N747 | L542-G546 PolarHBondContact O-N 2.77Å; L542-G546 VanDerWaalsContact O-N 3.12Å; L543-G546 PolarHBondContact O-N 3.1Å; E544-G546 VanDerWaalsContact C-N 3.28Å; E544-G546 PolarHBondContact O-N 3.36Å; G546-S549 PolarHBondContact O-OG 3.25Å; G546-N747 PolarHBondContact O-ND2 3.28Å; G546-N747 VanDerWaalsContact O-ND2 3.08Å |
| 547 | I | 88.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -73.5 | -36.7 | 174.9 | -68 | 164.9 | 0 | 0 | 0 | 110.7 | L543 E544 S549 I550 R556 L559 L560 L563 V751 | L543-I547 VanDerWaalsContact O-CG1 3.3Å; L543-I547 WeakPolarHBondContact O-CG1 3.44Å; L543-I547 PolarHBondContact O-N 3.27Å; E544-I547 CarbonylContact O-C 3.56Å; E544-I547 PolarHBondContact O-N 3.41Å; I547-S549 PolarHBondContact O-N 3.42Å; I547-I550 WeakPolarHBondContact O-CB 3.49Å; I547-I550 PolarHBondContact O-N 2.89Å; I547-R556 HydrophobicContact CG2-CG 3.62Å; I547-L559 HydrophobicContact CD1-CB 3.97Å; I547-L559 HydrophobicContact CG1-CB 4.13Å; I547-L559 HydrophobicContact CG2-CB 3.82Å; I547-L559 HydrophobicContact CG2-CD1 4.34Å; I547-L560 HydrophobicContact CB-CD2 4.3Å; I547-L560 HydrophobicContact CD1-CD2 4.43Å; I547-L560 HydrophobicContact CG2-CD2 3.85Å; I547-L560 HydrophobicContact CG2-CG 3.85Å; I547-L563 HydrophobicContact CD1-CB 4.08Å; I547-L563 HydrophobicContact CD1-CD2 3.79Å; I547-L563 HydrophobicContact CD1-CG 4.43Å; I547-V751 HydrophobicContact CG1-CG1 4.15Å |
| 548 | S | 85.9 | Confident | 86.5 | Confident | 62 Ų | 62 | 40.9 Ų | 40.9 | 43% | 0.434 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.6 | -27 | 177.3 | -60.7 | 0 | 0 | 0 | 0 | 113.5 | E544 I550 | E544-S548 PolarHBondContact O-N 2.92Å; E544-S548 PolarHBondContact O-OG 3.21Å; S548-I550 VanDerWaalsContact C-N 3.28Å; S548-I550 PolarHBondContact O-N 2.93Å |
| 549 | S | 82.8 | Confident | 86.4 | Confident | 42 Ų | 42 | 39.9 Ų | 39.9 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -5.3 | 175.7 | 40.3 | 0 | 0 | 0 | 0 | 115.2 | G546 I547 N747 | G546-S549 PolarHBondContact O-OG 3.25Å; I547-S549 PolarHBondContact O-N 3.42Å; S549-N747 WeakPolarHBondContact OG-CB 3.45Å; S549-N747 PolarHBondContact OG-ND2 3.48Å; S549-N747 VanDerWaalsContact OG-ND2 3.08Å; S549-N747 PolarHBondContact OG-OD1 3.08Å |
| 550 | I | 84.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -80.2 | 131.6 | 175.9 | -62.2 | 170.6 | 0 | 0 | 0 | 108.3 | I547 S548 H552 L555 R556 L559 V751 L761 W764 | I547-I550 WeakPolarHBondContact O-CB 3.49Å; I547-I550 PolarHBondContact O-N 2.89Å; S548-I550 VanDerWaalsContact C-N 3.28Å; S548-I550 PolarHBondContact O-N 2.93Å; I550-H552 HydrophobicContact CG2-CB 4.47Å; I550-L555 HydrophobicContact CG2-CD2 4.1Å; I550-R556 PolarHBondContact O-NE 3.09Å; I550-R556 PolarHBondContact O-NH2 3.18Å; I550-L559 HydrophobicContact CD1-CD1 3.36Å; I550-V751 HydrophobicContact CD1-CG1 4.3Å; I550-L761 HydrophobicContact CD1-CD1 4.06Å; I550-W764 HydrophobicContact CB-CZ2 4.44Å; I550-W764 HydrophobicContact CG1-CD2 4.27Å; I550-W764 HydrophobicContact CG1-CE3 4.45Å; I550-W764 HydrophobicContact CG1-CH2 4.2Å; I550-W764 HydrophobicContact CG1-CZ2 3.95Å; I550-W764 HydrophobicContact CG1-CZ3 4.41Å; I550-W764 HydrophobicContact CG2-CD2 4.13Å; I550-W764 HydrophobicContact CG2-CG 4.08Å | ||
| 551 | N | 80 | Confident | 86.1 | Confident | 119 Ų | 119 | 41.3 Ų | 41.3 | 64% | 0.636 | 22% | 0.215 | S | C | * | . | trans | -80.3 | -23.8 | -173.4 | -63.2 | -19.5 | 0 | 0 | 0 | 113.7 | D553 R556 | N551-D553 PolarHBondContact O-N 2.89Å; N551-R556 PolarHBondContact O-NH2 2.84Å | ||
| 552 | H | 81.7 | Confident | 86 | Confident | 77 Ų | 77 | 41 Ų | 41 | 36% | 0.356 | 21% | 0.213 | S | C | . | . | trans | -78.8 | 112.8 | -179 | -78.7 | -71 | 0 | 0 | 0 | 112.3 | I550 L555 R556 W764 E767 | I550-H552 HydrophobicContact CG2-CB 4.47Å; H552-L555 HydrophobicContact CB-CB 3.88Å; H552-L555 HydrophobicContact CB-CD2 4.39Å; H552-R556 VanDerWaalsContact O-CB 3.27Å; H552-R556 WeakPolarHBondContact O-CB 3.49Å; H552-R556 PolarHBondContact O-N 3.32Å; H552-W764 AromaticContact CD2-CD1 3.97Å; H552-E767 IonicContact CD2-OE2 3.4Å; H552-E767 IonicContact CE1-OE2 2.96Å; H552-E767 IonicContact NE2-OE2 3.77Å; H552-E767 PolarHBondContact NE2-OE2 3.07Å | ||
| 553 | D | 82.7 | Confident | 86 | Confident | 102 Ų | 102 | 40.9 Ų | 40.9 | 55% | 0.545 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.8 | -43.3 | -175.5 | -68.3 | -19.8 | 0 | 0 | 0 | 113.6 | N551 R556 N557 | N551-D553 PolarHBondContact O-N 2.89Å; D553-R556 PolarHBondContact O-N 3.09Å; D553-R556 IonicContact OD1-CZ 3.34Å; D553-R556 IonicContact OD1-NH1 2.84Å; D553-R556 PolarHBondContact OD1-NH1 3.46Å; D553-R556 IonicContact OD1-NH2 3.18Å; D553-R556 PolarHBondContact OD1-NH2 3.47Å; D553-N557 PolarHBondContact O-N 3.11Å; D553-N557 PolarHBondContact O-ND2 3.45Å; D553-N557 PolarHBondContact O-OD1 2.89Å |
| 554 | T | 83.9 | Confident | 85.8 | Confident | 96 Ų | 96 | 40.8 Ų | 40.8 | 59% | 0.589 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.7 | -47.6 | -179.8 | 48.3 | 0 | 0 | 0 | 0 | 111.6 | N557 Q558 | T554-N557 PolarHBondContact O-N 3Å; T554-Q558 WeakPolarHBondContact O-CG 3.38Å; T554-Q558 PolarHBondContact O-N 3.4Å; T554-Q558 VanDerWaalsContact O-N 3.16Å |
| 555 | L | 85.8 | Confident | 85.6 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 176.2 | 177.8 | 59.3 | 0 | 0 | 0 | 110.6 | I550 H552 N557 Q558 L559 C757 E760 L761 W764 | I550-L555 HydrophobicContact CG2-CD2 4.1Å; H552-L555 HydrophobicContact CB-CB 3.88Å; H552-L555 HydrophobicContact CB-CD2 4.39Å; L555-N557 VanDerWaalsContact C-N 3.3Å; L555-N557 PolarHBondContact O-N 3.27Å; L555-Q558 PolarHBondContact O-N 2.81Å; L555-Q558 VanDerWaalsContact O-N 3.15Å; L555-L559 HydrophobicContact CD1-CD1 4.16Å; L555-L559 HydrophobicContact CD1-CG 4.19Å; L555-L559 HydrophobicContact CG-CD1 3.99Å; L555-L559 HydrophobicContact CG-CG 4.44Å; L555-L559 VanDerWaalsContact O-CG 3.25Å; L555-L559 WeakPolarHBondContact O-CG 2.98Å; L555-L559 PolarHBondContact O-N 2.96Å; L555-C757 HydrophobicContact CD1-CB 3.69Å; L555-E760 HydrophobicContact CD1-CB 4.05Å; L555-E760 HydrophobicContact CD2-CB 4.19Å; L555-L761 HydrophobicContact CD1-CD1 4.42Å; L555-L761 HydrophobicContact CD2-CD1 4.21Å; L555-W764 HydrophobicContact CD2-CB 4.42Å |
| 556 | R | 86.7 | Confident | 85.5 | Confident | 42 Ų | 42 | 44 Ų | 44 | 16% | 0.158 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55 | -46.2 | 177.4 | -165.9 | -172.8 | -51.5 | 108.8 | 1.3 | 111.6 | I547 I550 N551 H552 D553 Q558 L559 L560 | I547-R556 HydrophobicContact CG2-CG 3.62Å; I550-R556 PolarHBondContact O-NE 3.09Å; I550-R556 PolarHBondContact O-NH2 3.18Å; N551-R556 PolarHBondContact O-NH2 2.84Å; H552-R556 VanDerWaalsContact O-CB 3.27Å; H552-R556 WeakPolarHBondContact O-CB 3.49Å; H552-R556 PolarHBondContact O-N 3.32Å; D553-R556 PolarHBondContact O-N 3.09Å; D553-R556 IonicContact OD1-CZ 3.34Å; D553-R556 IonicContact OD1-NH1 2.84Å; D553-R556 PolarHBondContact OD1-NH1 3.46Å; D553-R556 IonicContact OD1-NH2 3.18Å; D553-R556 PolarHBondContact OD1-NH2 3.47Å; R556-Q558 PolarHBondContact O-N 3.3Å; R556-L559 PolarHBondContact O-N 2.83Å; R556-L560 HydrophobicContact CG-CD1 4.33Å; R556-L560 WeakPolarHBondContact O-CG 3.21Å; R556-L560 PolarHBondContact O-N 2.95Å |
| 557 | N | 85.8 | Confident | 85.6 | Confident | 33 Ų | 33 | 47.4 Ų | 47.4 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 179.4 | -65.9 | -6.3 | 0 | 0 | 0 | 111.7 | D553 T554 L555 L559 L560 I561 L660 | D553-N557 PolarHBondContact O-N 3.11Å; D553-N557 PolarHBondContact O-ND2 3.45Å; D553-N557 PolarHBondContact O-OD1 2.89Å; T554-N557 PolarHBondContact O-N 3Å; L555-N557 VanDerWaalsContact C-N 3.3Å; L555-N557 PolarHBondContact O-N 3.27Å; N557-L559 VanDerWaalsContact C-N 3.33Å; N557-L559 PolarHBondContact O-N 2.62Å; N557-L560 PolarHBondContact O-N 2.71Å; N557-I561 VanDerWaalsContact O-CG1 3.27Å; N557-I561 WeakPolarHBondContact O-CG1 3.13Å; N557-I561 PolarHBondContact O-N 2.73Å; N557-L660 PolarHBondContact OD1-O 3.01Å |
| 558 | Q | 86.4 | Confident | 85.5 | Confident | 90 Ų | 90 | 47.4 Ų | 47.4 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.3 | -39.6 | 176.9 | -68.9 | 179.9 | 6.7 | 0 | 0 | 112.2 | T554 L555 R556 H562 C757 | T554-Q558 WeakPolarHBondContact O-CG 3.38Å; T554-Q558 PolarHBondContact O-N 3.4Å; T554-Q558 VanDerWaalsContact O-N 3.16Å; L555-Q558 PolarHBondContact O-N 2.81Å; L555-Q558 VanDerWaalsContact O-N 3.15Å; R556-Q558 PolarHBondContact O-N 3.3Å; Q558-H562 WeakPolarHBondContact O-CB 3.24Å; Q558-H562 PolarHBondContact O-N 3.26Å; Q558-C757 PolarHBondContact OE1-SG 3.34Å |
| 559 | L | 87.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.6 | -41.5 | 176.8 | -64.5 | 172.5 | 0 | 0 | 0 | 112.1 | I547 I550 L555 R556 N557 H562 L563 A753 C757 L761 | I547-L559 HydrophobicContact CD1-CB 3.97Å; I547-L559 HydrophobicContact CG1-CB 4.13Å; I547-L559 HydrophobicContact CG2-CB 3.82Å; I547-L559 HydrophobicContact CG2-CD1 4.34Å; I550-L559 HydrophobicContact CD1-CD1 3.36Å; L555-L559 HydrophobicContact CD1-CD1 4.16Å; L555-L559 HydrophobicContact CD1-CG 4.19Å; L555-L559 HydrophobicContact CG-CD1 3.99Å; L555-L559 HydrophobicContact CG-CG 4.44Å; L555-L559 VanDerWaalsContact O-CG 3.25Å; L555-L559 WeakPolarHBondContact O-CG 2.98Å; L555-L559 PolarHBondContact O-N 2.96Å; R556-L559 PolarHBondContact O-N 2.83Å; N557-L559 VanDerWaalsContact C-N 3.33Å; N557-L559 PolarHBondContact O-N 2.62Å; L559-H562 WeakPolarHBondContact O-CB 3.45Å; L559-H562 PolarHBondContact O-N 2.85Å; L559-L563 VanDerWaalsContact O-CB 3.31Å; L559-L563 WeakPolarHBondContact O-CB 3.47Å; L559-L563 PolarHBondContact O-N 3.45Å; L559-A753 HydrophobicContact CD2-CB 3.42Å; L559-A753 VanDerWaalsContact CD2-CB 3.42Å; L559-C757 HydrophobicContact CD2-CB 4.3Å; L559-L761 HydrophobicContact CD1-CD1 3.62Å; L559-L761 HydrophobicContact CD2-CD1 4.22Å |
| 560 | L | 87.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 175.8 | -71.9 | 176.1 | 0 | 0 | 0 | 112 | E544 I547 R556 N557 H562 L563 L564 L660 L663 | E544-L560 HydrophobicContact CG-CD2 4.11Å; I547-L560 HydrophobicContact CB-CD2 4.3Å; I547-L560 HydrophobicContact CD1-CD2 4.43Å; I547-L560 HydrophobicContact CG2-CD2 3.85Å; I547-L560 HydrophobicContact CG2-CG 3.85Å; R556-L560 HydrophobicContact CG-CD1 4.33Å; R556-L560 WeakPolarHBondContact O-CG 3.21Å; R556-L560 PolarHBondContact O-N 2.95Å; N557-L560 PolarHBondContact O-N 2.71Å; L560-H562 VanDerWaalsContact C-N 3.33Å; L560-H562 PolarHBondContact O-N 3.17Å; L560-L563 HydrophobicContact CD2-CD2 4.46Å; L560-L563 PolarHBondContact O-N 3.3Å; L560-L564 WeakPolarHBondContact O-CB 3.16Å; L560-L564 PolarHBondContact O-N 3.07Å; L560-L660 HydrophobicContact CB-CB 4.09Å; L560-L660 HydrophobicContact CB-CD1 4.07Å; L560-L660 HydrophobicContact CD1-CB 4.07Å; L560-L663 HydrophobicContact CD2-CG 4.49Å |
| 561 | I | 86.5 | Confident | 85.8 | Confident | 41 Ų | 41 | 46.6 Ų | 46.6 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 174.8 | -67.8 | 165.6 | 0 | 0 | 0 | 110.7 | N557 K565 L660 | N557-I561 VanDerWaalsContact O-CG1 3.27Å; N557-I561 WeakPolarHBondContact O-CG1 3.13Å; N557-I561 PolarHBondContact O-N 2.73Å; I561-K565 HydrophobicContact CG2-CD 4.25Å; I561-K565 WeakPolarHBondContact O-CG 3.19Å; I561-K565 PolarHBondContact O-N 3.45Å; I561-K565 VanDerWaalsContact O-N 3.09Å; I561-L660 HydrophobicContact CG1-CD1 4.12Å |
| 562 | H | 87.8 | Confident | 86.1 | Confident | 34 Ų | 34 | 41 Ų | 41 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 175.4 | 175.5 | 85 | 0 | 0 | 0 | 112 | Q558 L559 L560 K565 N566 P754 | Q558-H562 WeakPolarHBondContact O-CB 3.24Å; Q558-H562 PolarHBondContact O-N 3.26Å; L559-H562 WeakPolarHBondContact O-CB 3.45Å; L559-H562 PolarHBondContact O-N 2.85Å; L560-H562 VanDerWaalsContact C-N 3.33Å; L560-H562 PolarHBondContact O-N 3.17Å; H562-K565 PolarHBondContact O-N 2.82Å; H562-N566 PolarHBondContact CE1-ND2 3.32Å; H562-N566 PolarHBondContact ND1-ND2 3.04Å; H562-N566 PolarHBondContact NE2-ND2 3.3Å; H562-N566 VanDerWaalsContact NE2-ND2 3.18Å; H562-N566 WeakPolarHBondContact O-CB 3.31Å; H562-N566 PolarHBondContact O-N 2.8Å; H562-P754 HydrophobicContact CB-CG 4.14Å; H562-P754 WeakPolarHBondContact ND1-CB 3.26Å |
| 563 | L | 89.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 177.5 | 177.8 | 63.6 | 0 | 0 | 0 | 111.1 | L540 L543 E544 I547 L559 L560 K565 N566 Y567 G568 L663 T752 | L540-L563 HydrophobicContact CD1-CD1 3.76Å; L540-L563 HydrophobicContact CD1-CD2 3.97Å; L540-L563 HydrophobicContact CD1-CG 3.55Å; L543-L563 HydrophobicContact CB-CD1 3.56Å; L543-L563 HydrophobicContact CB-CD2 3.95Å; L543-L563 HydrophobicContact CB-CG 4.44Å; L543-L563 HydrophobicContact CD1-CD1 3.59Å; L543-L563 HydrophobicContact CG-CD1 4.19Å; E544-L563 HydrophobicContact CB-CD2 4.03Å; I547-L563 HydrophobicContact CD1-CB 4.08Å; I547-L563 HydrophobicContact CD1-CD2 3.79Å; I547-L563 HydrophobicContact CD1-CG 4.43Å; L559-L563 VanDerWaalsContact O-CB 3.31Å; L559-L563 WeakPolarHBondContact O-CB 3.47Å; L559-L563 PolarHBondContact O-N 3.45Å; L560-L563 HydrophobicContact CD2-CD2 4.46Å; L560-L563 PolarHBondContact O-N 3.3Å; L563-K565 VanDerWaalsContact C-N 3.33Å; L563-K565 PolarHBondContact O-N 2.83Å; L563-N566 PolarHBondContact O-N 3.44Å; L563-Y567 HydrophobicContact CD1-CD2 3.6Å; L563-Y567 HydrophobicContact CD1-CE2 4.29Å; L563-Y567 HydrophobicContact CD1-CG 3.86Å; L563-Y567 WeakPolarHBondContact O-CA 3.45Å; L563-Y567 WeakPolarHBondContact O-CB 3.37Å; L563-Y567 PolarHBondContact O-N 3.35Å; L563-G568 PolarHBondContact O-N 2.91Å; L563-L663 HydrophobicContact CD2-CD1 3.82Å; L563-L663 HydrophobicContact CG-CD1 4.36Å; L563-T752 HydrophobicContact CB-CG2 4.41Å; L563-T752 HydrophobicContact CD1-CG2 3.73Å |
| 564 | L | 86.3 | Confident | 86.4 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -59.3 | -44.3 | 177.1 | -178 | 61.3 | 0 | 0 | 0 | 111.4 | L560 G568 M569 F653 L660 L663 F666 | L560-L564 WeakPolarHBondContact O-CB 3.16Å; L560-L564 PolarHBondContact O-N 3.07Å; L564-G568 CarbonylContact O-C 3.58Å; L564-G568 WeakPolarHBondContact O-CA 3.3Å; L564-G568 PolarHBondContact O-N 3.16Å; L564-M569 PolarHBondContact O-N 3.47Å; L564-F653 HydrophobicContact CD1-CD2 3.84Å; L564-F653 HydrophobicContact CD1-CE2 4.06Å; L564-F653 HydrophobicContact CD2-CD2 4.07Å; L564-F653 HydrophobicContact CD2-CE2 4.31Å; L564-F653 HydrophobicContact CG-CD2 3.69Å; L564-F653 HydrophobicContact CG-CE2 3.61Å; L564-F653 HydrophobicContact CG-CZ 4.43Å; L564-F653 WeakPolarHBondContact O-CE2 3.42Å; L564-L660 HydrophobicContact CD2-CD1 4.21Å; L564-L663 HydrophobicContact CB-CD2 4.2Å; L564-L663 HydrophobicContact CD1-CD2 4.26Å; L564-F666 HydrophobicContact CD1-CB 4.33Å; L564-F666 HydrophobicContact CD1-CD1 3.89Å; L564-F666 HydrophobicContact CD1-CD2 3.72Å; L564-F666 HydrophobicContact CD1-CE1 3.98Å; L564-F666 HydrophobicContact CD1-CE2 3.84Å; L564-F666 HydrophobicContact CD1-CG 3.72Å; L564-F666 HydrophobicContact CD1-CZ 3.93Å |
| 565 | K | 85.7 | Confident | 86.4 | Confident | 94 Ų | 94 | 34.8 Ų | 34.8 | 41% | 0.409 | 16% | 0.163 | S | C | . | . | I | π-helix | trans | -66.2 | -44 | 179 | -73.9 | 178.1 | 178.7 | -177.2 | 0 | 113.3 | I561 H562 L563 M569 F653 | I561-K565 HydrophobicContact CG2-CD 4.25Å; I561-K565 WeakPolarHBondContact O-CG 3.19Å; I561-K565 PolarHBondContact O-N 3.45Å; I561-K565 VanDerWaalsContact O-N 3.09Å; H562-K565 PolarHBondContact O-N 2.82Å; L563-K565 VanDerWaalsContact C-N 3.33Å; L563-K565 PolarHBondContact O-N 2.83Å; K565-M569 VanDerWaalsContact O-CB 3.28Å; K565-M569 WeakPolarHBondContact O-CB 3.5Å; K565-F653 HydrophobicContact CB-CZ 4.47Å; K565-F653 HydrophobicContact CG-CE1 4.45Å; K565-F653 HydrophobicContact CG-CZ 3.85Å |
| 566 | N | 85.7 | Confident | 86.3 | Confident | 88 Ų | 88 | 34.7 Ų | 34.7 | 47% | 0.471 | 16% | 0.162 | S | C | . | . | I | π-helix | trans | -91.6 | -24.9 | -171.6 | -78.1 | -9.5 | 0 | 0 | 0 | 114.6 | H562 L563 P570 | H562-N566 PolarHBondContact CE1-ND2 3.32Å; H562-N566 PolarHBondContact ND1-ND2 3.04Å; H562-N566 PolarHBondContact NE2-ND2 3.3Å; H562-N566 VanDerWaalsContact NE2-ND2 3.18Å; H562-N566 WeakPolarHBondContact O-CB 3.31Å; H562-N566 PolarHBondContact O-N 2.8Å; L563-N566 PolarHBondContact O-N 3.44Å; N566-P570 WeakPolarHBondContact O-CD 3.31Å; N566-P570 WeakPolarHBondContact O-CG 3.29Å |
| 567 | Y | 86.8 | Confident | 86.1 | Confident | 72 Ų | 72 | 35.2 Ų | 35.2 | 28% | 0.282 | 17% | 0.168 | S | C | . | . | I | π-helix | trans | -118.1 | -34.7 | -178.7 | -69.1 | -99.8 | 0 | 0 | 0 | 112.4 | L543 L563 I571 T752 | L543-Y567 HydrophobicContact CD1-CD1 3.69Å; L543-Y567 HydrophobicContact CD1-CD2 4.11Å; L543-Y567 HydrophobicContact CD1-CE1 3.49Å; L543-Y567 VanDerWaalsContact CD1-CE1 3.49Å; L543-Y567 HydrophobicContact CD1-CE2 3.92Å; L543-Y567 HydrophobicContact CD1-CG 3.99Å; L563-Y567 HydrophobicContact CD1-CD2 3.6Å; L563-Y567 HydrophobicContact CD1-CE2 4.29Å; L563-Y567 HydrophobicContact CD1-CG 3.86Å; L563-Y567 WeakPolarHBondContact O-CA 3.45Å; L563-Y567 WeakPolarHBondContact O-CB 3.37Å; L563-Y567 PolarHBondContact O-N 3.35Å; Y567-I571 WeakPolarHBondContact O-CD1 3.43Å; Y567-I571 WeakPolarHBondContact O-CG1 3.11Å; Y567-T752 HydrophobicContact CD2-CG2 4.29Å; Y567-T752 HydrophobicContact CE2-CG2 3.77Å |
| 568 | G | 86.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -68.2 | -49.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L563 L564 I571 V572 | L563-G568 PolarHBondContact O-N 2.91Å; L564-G568 CarbonylContact O-C 3.58Å; L564-G568 WeakPolarHBondContact O-CA 3.3Å; L564-G568 PolarHBondContact O-N 3.16Å; G568-I571 WeakPolarHBondContact O-CB 3.47Å; G568-I571 PolarHBondContact O-N 2.9Å; G568-I571 VanDerWaalsContact O-N 3.11Å; G568-V572 PolarHBondContact O-N 2.87Å |
| 569 | M | 84.5 | Confident | 85.4 | Confident | 34 Ų | 34 | 29.9 Ų | 29.9 | 17% | 0.167 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | -177.6 | -158.6 | 68.8 | -157.3 | 0 | 0 | 114 | L564 K565 I571 V572 R573 Y624 L650 F653 | L564-M569 PolarHBondContact O-N 3.47Å; K565-M569 VanDerWaalsContact O-CB 3.28Å; K565-M569 WeakPolarHBondContact O-CB 3.5Å; M569-I571 VanDerWaalsContact C-N 3.29Å; M569-I571 PolarHBondContact O-N 3.34Å; M569-V572 HydrophobicContact CE-CG1 4.49Å; M569-V572 WeakPolarHBondContact O-CB 3.36Å; M569-V572 PolarHBondContact O-N 2.77Å; M569-R573 PolarHBondContact O-N 3.48Å; M569-Y624 HydrophobicContact CE-CD1 4.33Å; M569-Y624 HydrophobicContact CE-CD2 3.84Å; M569-Y624 HydrophobicContact CE-CE1 3.73Å; M569-Y624 HydrophobicContact CE-CE2 3.18Å; M569-Y624 HydrophobicContact CE-CG 4.38Å; M569-Y624 VanDerWaalsContact CE-OH 3.26Å; M569-Y624 WeakPolarHBondContact CE-OH 3.48Å; M569-L650 HydrophobicContact CE-CD2 4.21Å; M569-F653 HydrophobicContact CB-CE2 4.1Å; M569-F653 HydrophobicContact CB-CZ 4.33Å; M569-F653 HydrophobicContact SD-CD2 4.18Å; M569-F653 HydrophobicContact SD-CE1 4.41Å; M569-F653 HydrophobicContact SD-CE2 3.86Å; M569-F653 HydrophobicContact SD-CZ 3.98Å |
| 570 | P | 86.7 | Confident | 84.7 | Confident | 52 Ų | 52 | 30.6 Ų | 30.6 | 34% | 0.338 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.2 | -31.7 | 172.8 | -28.8 | 37.6 | 0 | 0 | 0 | 115.1 | N566 R573 Q574 | N566-P570 WeakPolarHBondContact O-CD 3.31Å; N566-P570 WeakPolarHBondContact O-CG 3.29Å; P570-R573 WeakPolarHBondContact O-CB 3.39Å; P570-R573 PolarHBondContact O-N 2.91Å; P570-Q574 PolarHBondContact O-N 3.12Å |
| 571 | I | 88.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.4 | -47 | 175 | -64.8 | 163.3 | 0 | 0 | 0 | 109.8 | V533 M536 V537 L540 Y567 G568 M569 R573 Q574 L575 I670 | V533-I571 HydrophobicContact CG1-CG2 4.2Å; M536-I571 HydrophobicContact CB-CD1 4.11Å; M536-I571 HydrophobicContact CB-CG1 3.58Å; M536-I571 HydrophobicContact CG-CG1 4.44Å; M536-I571 HydrophobicContact SD-CG1 4.18Å; V537-I571 HydrophobicContact CG2-CD1 4.02Å; V537-I571 HydrophobicContact CG2-CG2 4.29Å; L540-I571 HydrophobicContact CB-CD1 4.37Å; L540-I571 HydrophobicContact CD2-CD1 3.87Å; Y567-I571 WeakPolarHBondContact O-CD1 3.43Å; Y567-I571 WeakPolarHBondContact O-CG1 3.11Å; G568-I571 WeakPolarHBondContact O-CB 3.47Å; G568-I571 PolarHBondContact O-N 2.9Å; G568-I571 VanDerWaalsContact O-N 3.11Å; M569-I571 VanDerWaalsContact C-N 3.29Å; M569-I571 PolarHBondContact O-N 3.34Å; I571-R573 VanDerWaalsContact C-N 3.26Å; I571-R573 PolarHBondContact O-N 3.08Å; I571-Q574 PolarHBondContact O-N 3.4Å; I571-L575 HydrophobicContact CG2-CD1 4.26Å; I571-L575 WeakPolarHBondContact O-CG 3.34Å; I571-L575 PolarHBondContact O-N 3.27Å; I571-I670 HydrophobicContact CB-CD1 4.42Å; I571-I670 HydrophobicContact CG2-CD1 3.89Å; I571-I670 HydrophobicContact CG2-CG2 4.49Å |
| 572 | V | 86.6 | Confident | 83 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.5 | -43.7 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | G568 M569 L575 C576 Y624 V649 F666 | G568-V572 PolarHBondContact O-N 2.87Å; M569-V572 HydrophobicContact CE-CG1 4.49Å; M569-V572 WeakPolarHBondContact O-CB 3.36Å; M569-V572 PolarHBondContact O-N 2.77Å; V572-L575 PolarHBondContact O-N 3.2Å; V572-C576 WeakPolarHBondContact O-CB 3.23Å; V572-C576 PolarHBondContact O-N 3.2Å; V572-C576 PolarHBondContact O-SG 2.79Å; V572-Y624 HydrophobicContact CG1-CE1 4.23Å; V572-V649 HydrophobicContact CB-CG1 4.47Å; V572-V649 HydrophobicContact CG1-CG1 4.1Å; V572-V649 HydrophobicContact CG2-CG1 3.54Å; V572-F666 HydrophobicContact CG2-CE2 4.16Å; V572-F666 HydrophobicContact CG2-CZ 4.09Å |
| 573 | R | 84.5 | Confident | 82 | Confident | 92 Ų | 92 | 38 Ų | 38 | 35% | 0.347 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.3 | -49 | 175.5 | -175 | 176.9 | -173.7 | 136.1 | 8 | 112.5 | M569 P570 I571 L575 C576 D577 L619 | M569-R573 PolarHBondContact O-N 3.48Å; P570-R573 WeakPolarHBondContact O-CB 3.39Å; P570-R573 PolarHBondContact O-N 2.91Å; I571-R573 VanDerWaalsContact C-N 3.26Å; I571-R573 PolarHBondContact O-N 3.08Å; R573-L575 VanDerWaalsContact C-N 3.26Å; R573-L575 PolarHBondContact O-N 3.18Å; R573-C576 CarbonylContact O-C 3.53Å; R573-C576 PolarHBondContact O-N 3.41Å; R573-C576 VanDerWaalsContact O-N 3.13Å; R573-D577 IonicContact NE-OD2 3.88Å; R573-D577 WeakPolarHBondContact O-CB 3.34Å; R573-D577 PolarHBondContact O-N 2.69Å; R573-L619 VanDerWaalsContact NH1-CD2 3.28Å |
| 574 | Q | 85.1 | Confident | 80.7 | Confident | 53 Ų | 53 | 40.9 Ų | 40.9 | 25% | 0.248 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.9 | -38.5 | -179.4 | -171.6 | 67.6 | 21.9 | 0 | 0 | 111.9 | V532 V533 M536 P570 I571 H578 | V532-Q574 HydrophobicContact CG1-CG 4.03Å; V533-Q574 HydrophobicContact CG2-CB 4.24Å; V533-Q574 HydrophobicContact CG2-CG 3.8Å; M536-Q574 HydrophobicContact SD-CB 4.38Å; P570-Q574 PolarHBondContact O-N 3.12Å; I571-Q574 PolarHBondContact O-N 3.4Å; Q574-H578 PolarHBondContact O-N 3.47Å; Q574-H578 VanDerWaalsContact O-N 3.08Å |
| 575 | L | 85.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68 | -44.1 | 174.7 | -68.4 | 173.3 | 0 | 0 | 0 | 111.5 | V533 I571 V572 R573 D577 H578 I579 L673 L678 L680 | V533-L575 HydrophobicContact CG1-CD2 4.35Å; V533-L575 HydrophobicContact CG2-CD2 3.96Å; V533-L575 HydrophobicContact CG2-CG 4.33Å; I571-L575 HydrophobicContact CG2-CD1 4.26Å; I571-L575 WeakPolarHBondContact O-CG 3.34Å; I571-L575 PolarHBondContact O-N 3.27Å; V572-L575 PolarHBondContact O-N 3.2Å; R573-L575 VanDerWaalsContact C-N 3.26Å; R573-L575 PolarHBondContact O-N 3.18Å; L575-D577 VanDerWaalsContact C-N 3.32Å; L575-D577 PolarHBondContact O-N 3.21Å; L575-H578 WeakPolarHBondContact O-CB 3.35Å; L575-H578 PolarHBondContact O-N 3.11Å; L575-H578 VanDerWaalsContact O-N 3.16Å; L575-I579 VanDerWaalsContact O-CG1 3.3Å; L575-I579 WeakPolarHBondContact O-CG1 3.27Å; L575-I579 PolarHBondContact O-N 2.84Å; L575-L673 HydrophobicContact CB-CD2 4.47Å; L575-L673 HydrophobicContact CD1-CD2 4.12Å; L575-L678 HydrophobicContact CD2-CD1 3.99Å; L575-L680 HydrophobicContact CD2-CD1 3.59Å |
| 576 | C | 83.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.1 | -30.6 | 177.8 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | V572 R573 H578 I579 S580 W587 L627 | V572-C576 WeakPolarHBondContact O-CB 3.23Å; V572-C576 PolarHBondContact O-N 3.2Å; V572-C576 PolarHBondContact O-SG 2.79Å; R573-C576 CarbonylContact O-C 3.53Å; R573-C576 PolarHBondContact O-N 3.41Å; R573-C576 VanDerWaalsContact O-N 3.13Å; C576-H578 VanDerWaalsContact C-N 3.32Å; C576-I579 PolarHBondContact O-N 2.83Å; C576-S580 VanDerWaalsContact O-CB 3.23Å; C576-S580 WeakPolarHBondContact O-CB 3.31Å; C576-S580 PolarHBondContact O-N 2.75Å; C576-S580 PolarHBondContact O-OG 2.86Å; C576-W587 HydrophobicContact CB-CH2 3.75Å; C576-W587 HydrophobicContact CB-CZ3 3.46Å; C576-W587 VanDerWaalsContact CB-CZ3 3.46Å; C576-L627 HydrophobicContact CB-CD2 3.78Å |
| 577 | D | 81.4 | Confident | 77.8 | Confident | 52 Ų | 52 | 39.2 Ų | 39.2 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.4 | -36.2 | 170.9 | -75.4 | -19.7 | 0 | 0 | 0 | 110.8 | R573 L575 S580 Y581 | R573-D577 IonicContact NE-OD2 3.88Å; R573-D577 WeakPolarHBondContact O-CB 3.34Å; R573-D577 PolarHBondContact O-N 2.69Å; L575-D577 VanDerWaalsContact C-N 3.32Å; L575-D577 PolarHBondContact O-N 3.21Å; D577-S580 WeakPolarHBondContact CA-OG 3.35Å; D577-S580 PolarHBondContact O-OG 2.83Å; D577-Y581 WeakPolarHBondContact O-CB 3.4Å; D577-Y581 PolarHBondContact O-N 3.4Å; D577-Y581 VanDerWaalsContact O-N 3.1Å |
| 578 | H | 79.3 | Confident | 76.4 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.8 | -45.5 | 172 | -174.8 | 50.8 | 0 | 0 | 0 | 112.2 | T529 Q574 L575 C576 Y581 E582 | T529-H578 HydrophobicContact CG2-CB 3.88Å; Q574-H578 PolarHBondContact O-N 3.47Å; Q574-H578 VanDerWaalsContact O-N 3.08Å; L575-H578 WeakPolarHBondContact O-CB 3.35Å; L575-H578 PolarHBondContact O-N 3.11Å; L575-H578 VanDerWaalsContact O-N 3.16Å; C576-H578 VanDerWaalsContact C-N 3.32Å; H578-Y581 WeakPolarHBondContact O-CB 3.25Å; H578-Y581 PolarHBondContact O-N 3.25Å; H578-E582 WeakPolarHBondContact O-CB 3.47Å; H578-E582 PolarHBondContact O-N 2.93Å |
| 579 | I | 77.9 | Confident | 74.7 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.2 | -47.7 | 176.8 | -68.1 | 161.1 | 0 | 0 | 0 | 110.6 | L575 C576 Y581 E582 F583 L631 I642 I646 L673 L678 | L575-I579 VanDerWaalsContact O-CG1 3.3Å; L575-I579 WeakPolarHBondContact O-CG1 3.27Å; L575-I579 PolarHBondContact O-N 2.84Å; C576-I579 PolarHBondContact O-N 2.83Å; I579-Y581 PolarHBondContact O-N 2.88Å; I579-E582 PolarHBondContact O-N 2.72Å; I579-E582 VanDerWaalsContact O-N 3.11Å; I579-F583 HydrophobicContact CG2-CD2 3.8Å; I579-F583 HydrophobicContact CG2-CE2 4.18Å; I579-F583 WeakPolarHBondContact O-CD2 3.41Å; I579-F583 PolarHBondContact O-N 3.33Å; I579-L631 HydrophobicContact CG2-CD1 3.97Å; I579-L631 HydrophobicContact CG2-CD2 4.01Å; I579-I642 HydrophobicContact CD1-CG2 3.71Å; I579-I642 HydrophobicContact CG1-CG2 4.16Å; I579-I642 HydrophobicContact CG2-CG2 3.91Å; I579-I646 HydrophobicContact CD1-CD1 3.94Å; I579-I646 HydrophobicContact CD1-CG1 4.18Å; I579-L673 HydrophobicContact CD1-CD1 4.2Å; I579-L678 HydrophobicContact CD1-CD1 4.14Å; I579-L678 HydrophobicContact CD1-CD2 4.36Å; I579-L678 HydrophobicContact CG1-CD1 4.1Å; I579-L678 HydrophobicContact CG1-CD2 3.73Å; I579-L678 HydrophobicContact CG1-CG 4.49Å |
| 580 | S | 72.9 | Confident | 72.6 | Confident | 15 Ų | 15 | 41 Ų | 41 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.9 | -35.9 | 178.4 | 71.6 | 0 | 0 | 0 | 0 | 111.3 | C576 D577 G584 I585 | C576-S580 VanDerWaalsContact O-CB 3.23Å; C576-S580 WeakPolarHBondContact O-CB 3.31Å; C576-S580 PolarHBondContact O-N 2.75Å; C576-S580 PolarHBondContact O-OG 2.86Å; D577-S580 WeakPolarHBondContact CA-OG 3.35Å; D577-S580 PolarHBondContact O-OG 2.83Å; S580-G584 CarbonylContact O-C 3.52Å; S580-G584 WeakPolarHBondContact O-CA 3.45Å; S580-G584 PolarHBondContact O-N 2.84Å; S580-I585 VanDerWaalsContact CB-O 3.27Å; S580-I585 WeakPolarHBondContact CB-O 3.27Å; S580-I585 PolarHBondContact O-N 3.21Å |
| 581 | Y | 69.2 | Low | 69.9 | Low | 85 Ų | 85 | 45 Ų | 45 | 33% | 0.333 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.2 | -45.7 | 172.8 | 179.2 | -105.2 | 0 | 0 | 0 | 113.3 | F521 D522 K525 D577 H578 I579 F583 G584 | F521-Y581 HydrophobicContact CD1-CE1 4.48Å; F521-Y581 AromaticContact CD1-CZ 3.98Å; F521-Y581 WeakPolarHBondContact CD1-OH 3.5Å; F521-Y581 HydrophobicContact CE1-CE1 4.35Å; F521-Y581 HydrophobicContact CE1-CE2 4.25Å; F521-Y581 AromaticContact CE1-CZ 3.68Å; F521-Y581 WeakPolarHBondContact CE1-OH 3.23Å; D522-Y581 VanDerWaalsContact OD1-CE1 3.28Å; D522-Y581 WeakPolarHBondContact OD1-CE1 3.31Å; D522-Y581 PolarHBondContact OD1-OH 3.07Å; K525-Y581 HydrophobicContact CD-CD1 3.67Å; K525-Y581 HydrophobicContact CD-CE1 3.58Å; K525-Y581 HydrophobicContact CD-CE2 4.46Å; K525-Y581 HydrophobicContact CD-CG 4.16Å; K525-Y581 VanDerWaalsContact NZ-CE2 3.33Å; D577-Y581 WeakPolarHBondContact O-CB 3.4Å; D577-Y581 PolarHBondContact O-N 3.4Å; D577-Y581 VanDerWaalsContact O-N 3.1Å; H578-Y581 WeakPolarHBondContact O-CB 3.25Å; H578-Y581 PolarHBondContact O-N 3.25Å; I579-Y581 PolarHBondContact O-N 2.88Å; Y581-F583 VanDerWaalsContact C-N 3.34Å; Y581-F583 PolarHBondContact O-N 3.22Å; Y581-G584 PolarHBondContact O-N 3.23Å |
| 582 | E | 68.8 | Low | 67.1 | Low | 97 Ų | 97 | 50.2 Ų | 50.2 | 45% | 0.453 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.6 | -39 | -178.8 | -172.6 | 174.1 | -160.4 | 0 | 0 | 112.2 | H578 I579 | H578-E582 WeakPolarHBondContact O-CB 3.47Å; H578-E582 PolarHBondContact O-N 2.93Å; I579-E582 PolarHBondContact O-N 2.72Å; I579-E582 VanDerWaalsContact O-N 3.11Å |
| 583 | F | 66.6 | Low | 64.3 | Low | 47 Ų | 47 | 54.1 Ų | 54.1 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -0.7 | 177.4 | -68.3 | -88.2 | 0 | 0 | 0 | 113.5 | I579 Y581 I585 L631 L636 A639 I642 | I579-F583 HydrophobicContact CG2-CD2 3.8Å; I579-F583 HydrophobicContact CG2-CE2 4.18Å; I579-F583 WeakPolarHBondContact O-CD2 3.41Å; I579-F583 PolarHBondContact O-N 3.33Å; Y581-F583 VanDerWaalsContact C-N 3.34Å; Y581-F583 PolarHBondContact O-N 3.22Å; F583-I585 HydrophobicContact CB-CD1 3.72Å; F583-I585 HydrophobicContact CB-CG1 3.81Å; F583-I585 PolarHBondContact O-N 2.86Å; F583-L631 HydrophobicContact CB-CD2 4.25Å; F583-L631 HydrophobicContact CD1-CD2 4.28Å; F583-L631 HydrophobicContact CD2-CD2 3.95Å; F583-L631 HydrophobicContact CE2-CD2 4.47Å; F583-L631 HydrophobicContact CG-CD2 3.87Å; F583-L636 HydrophobicContact CD1-CD1 4.23Å; F583-L636 HydrophobicContact CE1-CD1 4.18Å; F583-A639 HydrophobicContact CD1-CB 4.29Å; F583-A639 HydrophobicContact CE1-CB 3.84Å; F583-A639 HydrophobicContact CZ-CB 4.41Å; F583-I642 HydrophobicContact CE2-CD1 3.32Å; F583-I642 HydrophobicContact CZ-CD1 3.34Å |
| 584 | G | 63.6 | Low | 61.6 | Low | 62 Ų | 62 | 59.4 Ų | 59.4 | 64% | 0.639 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 26 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S580 Y581 | S580-G584 CarbonylContact O-C 3.52Å; S580-G584 WeakPolarHBondContact O-CA 3.45Å; S580-G584 PolarHBondContact O-N 2.84Å; Y581-G584 PolarHBondContact O-N 3.23Å |
| 585 | I | 65.6 | Low | 58.9 | Low | 17 Ų | 17 | 63.5 Ų | 63.5 | 9% | 0.087 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 126.7 | -177.2 | -57.6 | 173.6 | 0 | 0 | 0 | 109.2 | S580 F583 L627 L630 L631 T634 | S580-I585 VanDerWaalsContact CB-O 3.27Å; S580-I585 WeakPolarHBondContact CB-O 3.27Å; S580-I585 PolarHBondContact O-N 3.21Å; F583-I585 HydrophobicContact CB-CD1 3.72Å; F583-I585 HydrophobicContact CB-CG1 3.81Å; F583-I585 PolarHBondContact O-N 2.86Å; I585-L627 HydrophobicContact CB-CD1 4.35Å; I585-L627 HydrophobicContact CG2-CD1 3.92Å; I585-L630 HydrophobicContact CD1-CB 4.43Å; I585-L630 HydrophobicContact CG2-CB 3.88Å; I585-L630 HydrophobicContact CG2-CD1 3.61Å; I585-L630 HydrophobicContact CG2-CG 4.32Å; I585-L631 HydrophobicContact CD1-CD2 3.48Å; I585-L631 VanDerWaalsContact CD1-CD2 3.48Å; I585-L631 HydrophobicContact CD1-CG 3.84Å; I585-T634 HydrophobicContact CD1-CG2 4.14Å |
| 586 | P | 67.3 | Low | 55.9 | Low | 97 Ų | 97 | 65.8 Ų | 65.8 | 63% | 0.63 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 139.1 | 175.6 | 26.8 | -32.4 | 0 | 0 | 0 | 111.7 | ||
| 587 | W | 63.9 | Low | 53.2 | Low | 34 Ų | 34 | 72 Ų | 72 | 13% | 0.129 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 126.5 | 176.9 | -170.4 | -99.2 | 0 | 0 | 0 | 111.3 | C576 G589 S590 L619 Y624 L627 | C576-W587 HydrophobicContact CB-CH2 3.75Å; C576-W587 HydrophobicContact CB-CZ3 3.46Å; C576-W587 VanDerWaalsContact CB-CZ3 3.46Å; W587-G589 PolarHBondContact O-N 2.97Å; W587-S590 PolarHBondContact O-N 3.4Å; W587-L619 HydrophobicContact CZ2-CD2 4.25Å; W587-Y624 AromaticContact CH2-CD1 3.73Å; W587-Y624 HydrophobicContact CH2-CD1 3.73Å; W587-Y624 AromaticContact CH2-CE1 3.52Å; W587-Y624 HydrophobicContact CH2-CE1 3.52Å; W587-Y624 HydrophobicContact CZ2-CD1 4.17Å; W587-Y624 AromaticContact CZ2-CE1 3.85Å; W587-Y624 HydrophobicContact CZ2-CE1 3.85Å; W587-Y624 HydrophobicContact CZ2-CE2 4.48Å; W587-L627 HydrophobicContact CE3-CD2 4.41Å; W587-L627 HydrophobicContact CH2-CD2 4.37Å; W587-L627 HydrophobicContact CZ3-CD2 3.71Å |
| 588 | P | 55.5 | Low | 50.5 | Low | 14 Ų | 14 | 77.1 Ų | 77.1 | 9% | 0.091 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 93.6 | 177.5 | 25.7 | -31.9 | 0 | 0 | 0 | 110.4 | S623 R626 L627 | P588-S623 WeakPolarHBondContact CG-O 3.28Å; P588-S623 WeakPolarHBondContact O-CB 3.27Å; P588-S623 PolarHBondContact O-OG 2.63Å; P588-R626 HydrophobicContact CB-CB 3.83Å; P588-R626 HydrophobicContact CB-CG 3.77Å; P588-R626 HydrophobicContact CG-CB 3.91Å; P588-R626 HydrophobicContact CG-CG 4.26Å; P588-L627 HydrophobicContact CG-CB 4.46Å |
| 589 | G | 51.2 | Low | 47.9 | Very low | 59 Ų | 59 | 85.9 Ų | 85.9 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 150 | -19.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112 | W587 T591 | W587-G589 PolarHBondContact O-N 2.97Å; G589-T591 PolarHBondContact O-N 3.06Å |
| 590 | S | 40.1 | Very low | 45.5 | Very low | 71 Ų | 71 | 91.5 Ų | 91.5 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | trans | -76.2 | 74 | 166 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | W587 T592 | W587-S590 PolarHBondContact O-N 3.4Å; S590-T592 PolarHBondContact O-N 3.44Å | ||
| 591 | T | 30.8 | Very low | 43.2 | Very low | 135 Ų | 135 | 98.7 Ų | 98.7 | 83% | 0.828 | 57% | 0.573 | S | S | * | * | trans | -67.3 | 77.6 | 153.8 | 49.7 | 0 | 0 | 0 | 0 | 106.9 | G589 S593 | G589-T591 PolarHBondContact O-N 3.06Å; T591-S593 PolarHBondContact O-N 2.9Å | ||
| 592 | T | 29.8 | Very low | 41.2 | Very low | 110 Ų | 110 | 99.9 Ų | 99.9 | 68% | 0.675 | 59% | 0.593 | S | S | * | * | trans | -61.7 | 95.9 | 151.1 | 46.1 | 0 | 0 | 0 | 0 | 104.4 | S590 K594 | S590-T592 PolarHBondContact O-N 3.44Å; T592-K594 VanDerWaalsContact C-N 3.34Å; T592-K594 PolarHBondContact O-N 3.07Å | ||
| 593 | S | 28.2 | Very low | 39.1 | Very low | 85 Ų | 85 | 100.8 Ų | 100.8 | 59% | 0.594 | 61% | 0.61 | S | S | * | * | trans | -43.3 | 108.5 | 163.6 | -168.6 | 0 | 0 | 0 | 0 | 106 | T591 N595 | T591-S593 PolarHBondContact O-N 2.9Å; S593-N595 PolarHBondContact O-N 2.9Å; S593-N595 PolarHBondContact OG-OD1 3.47Å | ||
| 594 | K | 27.4 | Very low | 37.3 | Very low | 203 Ų | 203 | 106.2 Ų | 106.2 | 88% | 0.883 | 64% | 0.642 | S | S | * | * | trans | -63.8 | 79.1 | 160.6 | -71.9 | -178.5 | 176.8 | 179.2 | 0 | 105 | T592 G596 | T592-K594 VanDerWaalsContact C-N 3.34Å; T592-K594 PolarHBondContact O-N 3.07Å; K594-G596 PolarHBondContact O-N 3.4Å | ||
| 595 | N | 27.7 | Very low | 35.4 | Very low | 139 Ų | 139 | 108.6 Ų | 108.6 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | trans | -73.3 | 69.3 | 157.4 | -72.8 | 1.4 | 0 | 0 | 0 | 105.7 | S593 | S593-N595 PolarHBondContact O-N 2.9Å; S593-N595 PolarHBondContact OG-OD1 3.47Å | ||
| 596 | G | 23.6 | Very low | 33.6 | Very low | 47 Ų | 47 | 114.3 Ų | 114.3 | 49% | 0.485 | 68% | 0.684 | S | S | . | * | trans | -56.3 | 136.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107 | K594 L598 | K594-G596 PolarHBondContact O-N 3.4Å; G596-L598 VanDerWaalsContact C-N 3.27Å; G596-L598 PolarHBondContact O-N 2.88Å | ||
| 597 | P | 26.5 | Very low | 31.6 | Very low | 130 Ų | 130 | 118.2 Ų | 118.2 | 84% | 0.844 | 69% | 0.694 | S | S | * | * | trans | -76.9 | 80.3 | -172.9 | 32.5 | -33.7 | 0 | 0 | 0 | 109.1 | K599 | P597-K599 PolarHBondContact O-N 3.33Š| ||
| 598 | L | 25.5 | Very low | 29.7 | Very low | 160 Ų | 160 | 124.6 Ų | 124.6 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | trans | -96.2 | 91.2 | 165.2 | -93.2 | 133.9 | 0 | 0 | 0 | 108.5 | G596 T600 | G596-L598 VanDerWaalsContact C-N 3.27Å; G596-L598 PolarHBondContact O-N 2.88Å; L598-T600 PolarHBondContact O-N 3.45Å | ||
| 599 | K | 24.1 | Very low | 28.1 | Very low | 196 Ų | 196 | 130.3 Ų | 130.3 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | trans | -56.3 | 111.2 | 160 | -69.6 | 174.2 | 174.5 | 177.4 | 0 | 108.8 | P597 | P597-K599 PolarHBondContact O-N 3.33Š| ||
| 600 | T | 27.5 | Very low | 26.8 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | -137.8 | 116.8 | 150.6 | 52.1 | 0 | 0 | 0 | 0 | 108 | L598 S602 | L598-T600 PolarHBondContact O-N 3.45Å; T600-S602 PolarHBondContact O-N 3.44Å | ||
| 601 | N | 24.4 | Very low | 26 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -62.5 | 122.1 | 179.4 | -62.3 | -30.7 | 0 | 0 | 0 | 110.6 | ||||
| 602 | S | 27.6 | Very low | 25.6 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -155.3 | 109.5 | 149.6 | 50.5 | 0 | 0 | 0 | 0 | 107.8 | T600 D604 | T600-S602 PolarHBondContact O-N 3.44Å; S602-D604 PolarHBondContact O-N 2.96Å | ||
| 603 | S | 25.5 | Very low | 25.4 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -54.1 | 117.5 | 167.6 | 46.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 604 | D | 28.3 | Very low | 25.3 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -148 | 115.6 | 144.1 | -101.8 | -25.5 | 0 | 0 | 0 | 109.6 | S602 | S602-D604 PolarHBondContact O-N 2.96Š| ||
| 605 | S | 23 | Very low | 25.2 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -79.1 | 112.4 | 178.2 | 46.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 606 | T | 28.1 | Very low | 25.4 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -148.9 | 116.4 | 145 | 39 | 0 | 0 | 0 | 0 | 109.6 | N608 | T606-N608 PolarHBondContact O-N 2.94Š| ||
| 607 | Q | 24.6 | Very low | 25.9 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -60.4 | 127.5 | 169.8 | -66.7 | 176.4 | -17.6 | 0 | 0 | 109.1 | ||||
| 608 | N | 24.2 | Very low | 26.6 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -131.5 | 108.6 | 154.8 | -137.9 | -2.5 | 0 | 0 | 0 | 108.6 | T606 | T606-N608 PolarHBondContact O-N 2.94Š| ||
| 609 | N | 23.1 | Very low | 27.8 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -71.3 | 135.5 | -172.8 | -86.7 | -34.2 | 0 | 0 | 0 | 111.6 | V611 | N609-V611 PolarHBondContact O-N 3.25Š| ||
| 610 | N | 22.3 | Very low | 29.4 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | trans | -24.2 | 110.5 | 159.1 | -74 | -43.8 | 0 | 0 | 0 | 115.1 | ||||
| 611 | V | 24.6 | Very low | 31.2 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 76% | 0.758 | 72% | 0.722 | S | S | * | * | trans | -120.7 | 94.1 | 147.7 | -179.1 | 0 | 0 | 0 | 0 | 106.2 | N609 S613 | N609-V611 PolarHBondContact O-N 3.25Å; V611-S613 PolarHBondContact O-N 2.9Å | ||
| 612 | K | 22.6 | Very low | 33.3 | Very low | 189 Ų | 189 | 127 Ų | 127 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | trans | -69.7 | 81 | 165.4 | -72.8 | -179.1 | 177.7 | -179.9 | 0 | 107.1 | ||||
| 613 | S | 24.3 | Very low | 35.6 | Very low | 76 Ų | 76 | 122.8 Ų | 122.8 | 53% | 0.531 | 68% | 0.682 | S | S | . | * | trans | -68.5 | 128.8 | 167.9 | 45.8 | 0 | 0 | 0 | 0 | 108 | V611 I615 | V611-S613 PolarHBondContact O-N 2.9Å; S613-I615 PolarHBondContact O-N 3.22Å | ||
| 614 | N | 25.7 | Very low | 38.1 | Very low | 162 Ų | 162 | 117.4 Ų | 117.4 | 87% | 0.866 | 64% | 0.644 | S | S | * | * | trans | -66.8 | 61.4 | 174.4 | -73.1 | -26.4 | 0 | 0 | 0 | 110.7 | T616 | N614-T616 VanDerWaalsContact C-N 3.25Å; N614-T616 PolarHBondContact O-N 3.28Å | ||
| 615 | I | 26.4 | Very low | 40.5 | Very low | 121 Ų | 121 | 113 Ų | 113 | 62% | 0.621 | 62% | 0.618 | S | S | * | * | trans | -71.3 | 96.6 | 167 | -57.7 | 172.8 | 0 | 0 | 0 | 104 | S613 E617 | S613-I615 PolarHBondContact O-N 3.22Å; I615-E617 HydrophobicContact CG2-CG 4.06Å; I615-E617 PolarHBondContact O-N 3.47Å | ||
| 616 | T | 31.6 | Very low | 43 | Very low | 132 Ų | 132 | 115 Ų | 115 | 81% | 0.81 | 61% | 0.608 | S | S | * | * | trans | -51.3 | 82.1 | 147.4 | 48.9 | 0 | 0 | 0 | 0 | 105.8 | N614 S618 | N614-T616 VanDerWaalsContact C-N 3.25Å; N614-T616 PolarHBondContact O-N 3.28Å; T616-S618 VanDerWaalsContact C-N 3.34Å; T616-S618 PolarHBondContact O-N 3.48Å | ||
| 617 | E | 34.7 | Very low | 45.2 | Very low | 153 Ų | 153 | 108.5 Ų | 108.5 | 72% | 0.715 | 57% | 0.568 | S | S | * | * | trans | -51.3 | 111.8 | 169 | -87.1 | 177.5 | 159.4 | 0 | 0 | 104 | I615 L619 | I615-E617 HydrophobicContact CG2-CG 4.06Å; I615-E617 PolarHBondContact O-N 3.47Å; E617-L619 WeakPolarHBondContact O-CD1 3.49Å; E617-L619 PolarHBondContact O-N 3Å | ||
| 618 | S | 41.2 | Very low | 47.7 | Very low | 114 Ų | 114 | 100.2 Ų | 100.2 | 80% | 0.797 | 53% | 0.53 | S | S | * | . | trans | -53.7 | 92 | 170.7 | 39.6 | 0 | 0 | 0 | 0 | 105.9 | T616 S620 | T616-S618 VanDerWaalsContact C-N 3.34Å; T616-S618 PolarHBondContact O-N 3.48Å; S618-S620 PolarHBondContact O-N 3.47Å | ||
| 619 | L | 50 | Low | 50.1 | Low | 62 Ų | 62 | 97.7 Ų | 97.7 | 33% | 0.325 | 51% | 0.513 | S | S | . | . | trans | -50.9 | 115.4 | -174.7 | -112.6 | 80.4 | 0 | 0 | 0 | 106.9 | R573 W587 E617 I621 Y624 | R573-L619 VanDerWaalsContact NH1-CD2 3.28Å; W587-L619 HydrophobicContact CZ2-CD2 4.25Å; E617-L619 WeakPolarHBondContact O-CD1 3.49Å; E617-L619 PolarHBondContact O-N 3Å; L619-I621 PolarHBondContact O-N 2.97Å; L619-Y624 HydrophobicContact CB-CE2 4.41Å; L619-Y624 HydrophobicContact CD2-CE2 3.92Å; L619-Y624 WeakPolarHBondContact CD2-OH 3.45Å | ||
| 620 | S | 57.5 | Low | 52.4 | Low | 44 Ų | 44 | 94.3 Ų | 94.3 | 31% | 0.308 | 49% | 0.494 | S | S | . | . | trans | -67 | 136.2 | -178.4 | 73.4 | 0 | 0 | 0 | 0 | 107.6 | S618 E622 S623 | S618-S620 PolarHBondContact O-N 3.47Å; S620-E622 WeakPolarHBondContact CB-OE2 3.32Å; S620-E622 PolarHBondContact O-N 3.19Å; S620-E622 WeakPolarHBondContact OG-CB 3.44Å; S620-E622 PolarHBondContact OG-OE2 3.47Å; S620-S623 PolarHBondContact O-N 2.81Å | ||
| 621 | I | 65.3 | Low | 54.5 | Low | 87 Ų | 87 | 87.5 Ų | 87.5 | 45% | 0.446 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -52.6 | -21.3 | 172.9 | -68.1 | 162.4 | 0 | 0 | 0 | 110.3 | L619 Y624 H625 | L619-I621 PolarHBondContact O-N 2.97Å; I621-Y624 PolarHBondContact O-N 2.85Å; I621-H625 PolarHBondContact O-CD2 3.22Å; I621-H625 VanDerWaalsContact O-CD2 3.25Å; I621-H625 PolarHBondContact O-N 3.25Å |
| 622 | E | 68.7 | Low | 56.8 | Low | 143 Ų | 143 | 87.3 Ų | 87.3 | 67% | 0.668 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62 | -37 | 174.7 | -47.8 | 164.6 | 155.9 | 0 | 0 | 113.6 | S620 Y624 H625 R626 | S620-E622 WeakPolarHBondContact CB-OE2 3.32Å; S620-E622 PolarHBondContact O-N 3.19Å; S620-E622 WeakPolarHBondContact OG-CB 3.44Å; S620-E622 PolarHBondContact OG-OE2 3.47Å; E622-Y624 VanDerWaalsContact C-N 3.29Å; E622-Y624 PolarHBondContact O-N 3.33Å; E622-H625 PolarHBondContact O-N 3.43Å; E622-R626 WeakPolarHBondContact O-CB 3.43Å; E622-R626 PolarHBondContact O-N 3.24Å |
| 623 | S | 76.4 | Confident | 58.8 | Low | 20 Ų | 20 | 84.8 Ų | 84.8 | 14% | 0.14 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 175.6 | -68.9 | 0 | 0 | 0 | 0 | 111.1 | P588 S620 R626 L627 | P588-S623 WeakPolarHBondContact CG-O 3.28Å; P588-S623 WeakPolarHBondContact O-CB 3.27Å; P588-S623 PolarHBondContact O-OG 2.63Å; S620-S623 PolarHBondContact O-N 2.81Å; S623-R626 PolarHBondContact O-N 2.92Å; S623-L627 PolarHBondContact O-N 3.07Å; S623-L627 VanDerWaalsContact O-N 3.08Å |
| 624 | Y | 77.2 | Confident | 60.6 | Low | 3 Ų | 3 | 83.6 Ų | 83.6 | 1% | 0.012 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.8 | -41 | 178.9 | -62.9 | -86.5 | 0 | 0 | 0 | 111.9 | M569 V572 W587 L619 I621 E622 R626 L627 I628 L650 | M569-Y624 HydrophobicContact CE-CD1 4.33Å; M569-Y624 HydrophobicContact CE-CD2 3.84Å; M569-Y624 HydrophobicContact CE-CE1 3.73Å; M569-Y624 HydrophobicContact CE-CE2 3.18Å; M569-Y624 HydrophobicContact CE-CG 4.38Å; M569-Y624 VanDerWaalsContact CE-OH 3.26Å; M569-Y624 WeakPolarHBondContact CE-OH 3.48Å; V572-Y624 HydrophobicContact CG1-CE1 4.23Å; W587-Y624 AromaticContact CH2-CD1 3.73Å; W587-Y624 HydrophobicContact CH2-CD1 3.73Å; W587-Y624 AromaticContact CH2-CE1 3.52Å; W587-Y624 HydrophobicContact CH2-CE1 3.52Å; W587-Y624 HydrophobicContact CZ2-CD1 4.17Å; W587-Y624 AromaticContact CZ2-CE1 3.85Å; W587-Y624 HydrophobicContact CZ2-CE1 3.85Å; W587-Y624 HydrophobicContact CZ2-CE2 4.48Å; L619-Y624 HydrophobicContact CB-CE2 4.41Å; L619-Y624 HydrophobicContact CD2-CE2 3.92Å; L619-Y624 WeakPolarHBondContact CD2-OH 3.45Å; I621-Y624 PolarHBondContact O-N 2.85Å; E622-Y624 VanDerWaalsContact C-N 3.29Å; E622-Y624 PolarHBondContact O-N 3.33Å; Y624-R626 VanDerWaalsContact C-N 3.27Å; Y624-R626 PolarHBondContact O-N 2.96Å; Y624-L627 PolarHBondContact O-N 3Å; Y624-I628 WeakPolarHBondContact O-CG1 3.49Å; Y624-I628 PolarHBondContact O-N 2.67Å; Y624-L650 HydrophobicContact CD1-CD2 4.39Å; Y624-L650 HydrophobicContact CD2-CD2 4.5Å; Y624-L650 HydrophobicContact CG-CD2 4.07Å |
| 625 | H | 78.5 | Confident | 62 | Low | 67 Ų | 67 | 83.1 Ų | 83.1 | 31% | 0.31 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.1 | -35.7 | 174.5 | -74.4 | -54.8 | 0 | 0 | 0 | 112.7 | I621 E622 I628 E629 Q647 | I621-H625 PolarHBondContact O-CD2 3.22Å; I621-H625 VanDerWaalsContact O-CD2 3.25Å; I621-H625 PolarHBondContact O-N 3.25Å; E622-H625 PolarHBondContact O-N 3.43Å; H625-I628 WeakPolarHBondContact O-CB 3.5Å; H625-I628 PolarHBondContact O-N 2.99Å; H625-E629 PolarHBondContact O-N 3.37Å; H625-Q647 PolarHBondContact CE1-OE1 3.12Å; H625-Q647 PolarHBondContact ND1-OE1 3.13Å |
| 626 | R | 75.5 | Confident | 63.7 | Low | 155 Ų | 155 | 80.9 Ų | 80.9 | 59% | 0.585 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -70 | -35.3 | 176.5 | -168.3 | 165.1 | -176.3 | -176.2 | 6.6 | 112.7 | P588 E622 S623 Y624 E629 L630 | P588-R626 HydrophobicContact CB-CB 3.83Å; P588-R626 HydrophobicContact CB-CG 3.77Å; P588-R626 HydrophobicContact CG-CB 3.91Å; P588-R626 HydrophobicContact CG-CG 4.26Å; E622-R626 WeakPolarHBondContact O-CB 3.43Å; E622-R626 PolarHBondContact O-N 3.24Å; S623-R626 PolarHBondContact O-N 2.92Å; Y624-R626 VanDerWaalsContact C-N 3.27Å; Y624-R626 PolarHBondContact O-N 2.96Å; R626-E629 PolarHBondContact O-N 3.24Å; R626-L630 VanDerWaalsContact O-CG 3.29Å; R626-L630 WeakPolarHBondContact O-CG 3.38Å; R626-L630 PolarHBondContact O-N 3.01Å |
| 627 | L | 75.5 | Confident | 64.9 | Low | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 171 | 180 | 66.9 | 0 | 0 | 0 | 111.3 | C576 I585 W587 P588 S623 Y624 E629 L630 L631 I646 | C576-L627 HydrophobicContact CB-CD2 3.78Å; I585-L627 HydrophobicContact CB-CD1 4.35Å; I585-L627 HydrophobicContact CG2-CD1 3.92Å; W587-L627 HydrophobicContact CE3-CD2 4.41Å; W587-L627 HydrophobicContact CH2-CD2 4.37Å; W587-L627 HydrophobicContact CZ3-CD2 3.71Å; P588-L627 HydrophobicContact CG-CB 4.46Å; S623-L627 PolarHBondContact O-N 3.07Å; S623-L627 VanDerWaalsContact O-N 3.08Å; Y624-L627 PolarHBondContact O-N 3Å; L627-E629 VanDerWaalsContact C-N 3.3Å; L627-E629 PolarHBondContact O-N 3.49Å; L627-L630 PolarHBondContact O-N 3.12Å; L627-L631 HydrophobicContact CG-CD1 4.11Å; L627-L631 WeakPolarHBondContact O-CG 3.4Å; L627-L631 PolarHBondContact O-N 3.23Å; L627-I646 HydrophobicContact CD2-CD1 4.37Å |
| 628 | I | 76.9 | Confident | 66.4 | Low | 6 Ų | 6 | 75.5 Ų | 75.5 | 3% | 0.031 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 176.4 | -69.1 | 168.9 | 0 | 0 | 0 | 110.7 | Y624 H625 L631 K632 I646 Q647 L650 | Y624-I628 WeakPolarHBondContact O-CG1 3.49Å; Y624-I628 PolarHBondContact O-N 2.67Å; H625-I628 WeakPolarHBondContact O-CB 3.5Å; H625-I628 PolarHBondContact O-N 2.99Å; I628-L631 PolarHBondContact O-N 3.47Å; I628-K632 HydrophobicContact CG2-CD 4.44Å; I628-K632 WeakPolarHBondContact O-CG 3.47Å; I628-K632 PolarHBondContact O-N 2.86Å; I628-K632 VanDerWaalsContact O-N 3.11Å; I628-I646 HydrophobicContact CD1-CB 4.27Å; I628-I646 HydrophobicContact CD1-CG2 3.87Å; I628-I646 HydrophobicContact CG1-CB 4.15Å; I628-I646 HydrophobicContact CG1-CG2 3.93Å; I628-Q647 HydrophobicContact CD1-CB 4.14Å; I628-Q647 VanDerWaalsContact CD1-OE1 3.29Å; I628-L650 HydrophobicContact CD1-CD1 3.8Å |
| 629 | E | 73.4 | Confident | 67.6 | Low | 114 Ų | 114 | 70 Ų | 70 | 53% | 0.533 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 176.3 | -168.4 | 177.7 | -160.3 | 0 | 0 | 111.5 | H625 R626 L627 L631 K632 H633 | H625-E629 PolarHBondContact O-N 3.37Å; R626-E629 PolarHBondContact O-N 3.24Å; L627-E629 VanDerWaalsContact C-N 3.3Å; L627-E629 PolarHBondContact O-N 3.49Å; E629-L631 VanDerWaalsContact C-N 3.34Å; E629-L631 PolarHBondContact O-N 3.27Å; E629-K632 PolarHBondContact O-N 3.35Å; E629-H633 PolarHBondContact O-CD2 2.94Å; E629-H633 PolarHBondContact O-N 3.22Å |
| 630 | L | 72.7 | Confident | 68.7 | Low | 65 Ų | 65 | 70.8 Ų | 70.8 | 34% | 0.34 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 176.9 | -71.5 | 169.2 | 0 | 0 | 0 | 112.3 | I585 R626 L627 H633 T634 | I585-L630 HydrophobicContact CD1-CB 4.43Å; I585-L630 HydrophobicContact CG2-CB 3.88Å; I585-L630 HydrophobicContact CG2-CD1 3.61Å; I585-L630 HydrophobicContact CG2-CG 4.32Å; R626-L630 VanDerWaalsContact O-CG 3.29Å; R626-L630 WeakPolarHBondContact O-CG 3.38Å; R626-L630 PolarHBondContact O-N 3.01Å; L627-L630 PolarHBondContact O-N 3.12Å; L630-H633 PolarHBondContact O-N 3.21Å; L630-T634 PolarHBondContact O-N 3.11Å |
| 631 | L | 65.9 | Low | 69.6 | Low | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 176.2 | -76.1 | 165.7 | 0 | 0 | 0 | 111.7 | I579 F583 I585 L627 I628 E629 H633 T634 A639 I642 I646 | I579-L631 HydrophobicContact CG2-CD1 3.97Å; I579-L631 HydrophobicContact CG2-CD2 4.01Å; F583-L631 HydrophobicContact CB-CD2 4.25Å; F583-L631 HydrophobicContact CD1-CD2 4.28Å; F583-L631 HydrophobicContact CD2-CD2 3.95Å; F583-L631 HydrophobicContact CE2-CD2 4.47Å; F583-L631 HydrophobicContact CG-CD2 3.87Å; I585-L631 HydrophobicContact CD1-CD2 3.48Å; I585-L631 VanDerWaalsContact CD1-CD2 3.48Å; I585-L631 HydrophobicContact CD1-CG 3.84Å; L627-L631 HydrophobicContact CG-CD1 4.11Å; L627-L631 WeakPolarHBondContact O-CG 3.4Å; L627-L631 PolarHBondContact O-N 3.23Å; I628-L631 PolarHBondContact O-N 3.47Å; E629-L631 VanDerWaalsContact C-N 3.34Å; E629-L631 PolarHBondContact O-N 3.27Å; L631-H633 PolarHBondContact O-N 3.38Å; L631-T634 PolarHBondContact O-N 3.35Å; L631-T634 VanDerWaalsContact O-N 3.12Å; L631-T634 PolarHBondContact O-OG1 3.17Å; L631-A639 HydrophobicContact CB-CB 4.46Å; L631-A639 HydrophobicContact CD2-CB 4.23Å; L631-A639 WeakPolarHBondContact O-CB 3.45Å; L631-I642 HydrophobicContact CD1-CG2 4.08Å; L631-I646 HydrophobicContact CD1-CD1 3.7Å |
| 632 | K | 72.1 | Confident | 70.3 | Confident | 120 Ų | 120 | 67.2 Ų | 67.2 | 52% | 0.522 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.9 | -29 | 176.5 | -72.6 | 175.2 | -178.6 | -179.4 | 0 | 112.9 | I628 E629 T634 S643 | I628-K632 HydrophobicContact CG2-CD 4.44Å; I628-K632 WeakPolarHBondContact O-CG 3.47Å; I628-K632 PolarHBondContact O-N 2.86Å; I628-K632 VanDerWaalsContact O-N 3.11Å; E629-K632 PolarHBondContact O-N 3.35Å; K632-T634 VanDerWaalsContact C-N 3.35Å; K632-S643 WeakPolarHBondContact CE-OG 3.46Å |
| 633 | H | 65.1 | Low | 70.7 | Confident | 137 Ų | 137 | 60.5 Ų | 60.5 | 63% | 0.634 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -77.3 | -13.3 | 176.8 | -76.9 | -65 | 0 | 0 | 0 | 114.7 | E629 L630 L631 N635 | E629-H633 PolarHBondContact O-CD2 2.94Å; E629-H633 PolarHBondContact O-N 3.22Å; L630-H633 PolarHBondContact O-N 3.21Å; L631-H633 PolarHBondContact O-N 3.38Å; H633-N635 PolarHBondContact O-N 2.91Å |
| 634 | T | 62.1 | Low | 71 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 31% | 0.307 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -5.4 | -177.6 | 60.9 | 0 | 0 | 0 | 0 | 114.6 | I585 L630 L631 K632 L636 A639 | I585-T634 HydrophobicContact CD1-CG2 4.14Å; L630-T634 PolarHBondContact O-N 3.11Å; L631-T634 PolarHBondContact O-N 3.35Å; L631-T634 VanDerWaalsContact O-N 3.12Å; L631-T634 PolarHBondContact O-OG1 3.17Å; K632-T634 VanDerWaalsContact C-N 3.35Å; T634-L636 PolarHBondContact O-N 2.9Å; T634-A639 WeakPolarHBondContact OG1-CB 3.43Å |
| 635 | N | 56 | Low | 71.3 | Confident | 152 Ų | 152 | 62.4 Ų | 62.4 | 81% | 0.813 | 32% | 0.324 | S | S | * | . | trans | 54.3 | 13.7 | -178.7 | -79.9 | -5.8 | 0 | 0 | 0 | 115.9 | H633 | H633-N635 PolarHBondContact O-N 2.91Š| ||
| 636 | L | 61 | Low | 71.6 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 39% | 0.393 | 31% | 0.309 | S | S | . | . | trans | -88.6 | 134.7 | 174.4 | -73.6 | 157.6 | 0 | 0 | 0 | 110.3 | F583 T634 D638 A639 V640 | F583-L636 HydrophobicContact CD1-CD1 4.23Å; F583-L636 HydrophobicContact CE1-CD1 4.18Å; T634-L636 PolarHBondContact O-N 2.9Å; L636-D638 VanDerWaalsContact C-N 3.27Å; L636-D638 PolarHBondContact O-N 3.13Å; L636-A639 HydrophobicContact CB-CB 4Å; L636-A639 PolarHBondContact O-N 2.97Å; L636-V640 PolarHBondContact O-N 3.27Å | ||
| 637 | P | 57.6 | Low | 72 | Confident | 101 Ų | 101 | 54.1 Ų | 54.1 | 66% | 0.656 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.6 | -38.3 | 179.6 | 23.8 | -32.2 | 0 | 0 | 0 | 112 | A639 V640 S641 | P637-A639 VanDerWaalsContact C-N 3.34Å; P637-A639 PolarHBondContact O-N 3.18Å; P637-V640 PolarHBondContact O-N 2.89Å; P637-S641 PolarHBondContact O-N 3.07Å |
| 638 | D | 65.8 | Low | 72.5 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 178.4 | -57.9 | -26.6 | 0 | 0 | 0 | 111.4 | H385 L636 V640 S641 I642 | H385-D638 IonicContact CD2-OD2 3.2Å; H385-D638 IonicContact NE2-OD2 2.86Å; L636-D638 VanDerWaalsContact C-N 3.27Å; L636-D638 PolarHBondContact O-N 3.13Å; D638-V640 VanDerWaalsContact C-N 3.3Å; D638-V640 PolarHBondContact O-N 3.34Å; D638-S641 PolarHBondContact O-N 3.27Å; D638-S641 PolarHBondContact O-OG 3.08Å; D638-I642 WeakPolarHBondContact O-CD1 3.34Å; D638-I642 VanDerWaalsContact O-CG1 3.29Å; D638-I642 WeakPolarHBondContact O-CG1 3.49Å; D638-I642 PolarHBondContact O-N 2.99Å |
| 639 | A | 67.2 | Low | 72.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -34.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F583 L631 T634 L636 P637 S643 | F583-A639 HydrophobicContact CD1-CB 4.29Å; F583-A639 HydrophobicContact CE1-CB 3.84Å; F583-A639 HydrophobicContact CZ-CB 4.41Å; L631-A639 HydrophobicContact CB-CB 4.46Å; L631-A639 HydrophobicContact CD2-CB 4.23Å; L631-A639 WeakPolarHBondContact O-CB 3.45Å; T634-A639 WeakPolarHBondContact OG1-CB 3.43Å; L636-A639 HydrophobicContact CB-CB 4Å; L636-A639 PolarHBondContact O-N 2.97Å; P637-A639 VanDerWaalsContact C-N 3.34Å; P637-A639 PolarHBondContact O-N 3.18Å; A639-S643 VanDerWaalsContact O-CB 3.31Å; A639-S643 WeakPolarHBondContact O-CB 3.41Å; A639-S643 PolarHBondContact O-N 3.43Å |
| 640 | V | 73.2 | Confident | 73.4 | Confident | 78 Ų | 78 | 53.5 Ų | 53.5 | 47% | 0.473 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.7 | -45.6 | 174.8 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | L636 P637 D638 I642 S643 S644 | L636-V640 PolarHBondContact O-N 3.27Å; P637-V640 PolarHBondContact O-N 2.89Å; D638-V640 VanDerWaalsContact C-N 3.3Å; D638-V640 PolarHBondContact O-N 3.34Å; V640-I642 VanDerWaalsContact C-N 3.34Å; V640-I642 PolarHBondContact O-N 2.87Å; V640-S643 PolarHBondContact O-N 2.99Å; V640-S643 PolarHBondContact O-OG 3.4Å; V640-S644 PolarHBondContact O-N 3.31Å; V640-S644 VanDerWaalsContact O-N 3.07Å |
| 641 | S | 76.3 | Confident | 73.8 | Confident | 49 Ų | 49 | 53.6 Ų | 53.6 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 177.2 | 78.4 | 0 | 0 | 0 | 0 | 111.7 | P637 D638 S643 S644 A645 | P637-S641 PolarHBondContact O-N 3.07Å; D638-S641 PolarHBondContact O-N 3.27Å; D638-S641 PolarHBondContact O-OG 3.08Å; S641-S643 PolarHBondContact O-N 3.1Å; S641-S644 PolarHBondContact O-N 2.98Å; S641-S644 PolarHBondContact O-OG 3.03Å; S641-A645 PolarHBondContact O-N 3.37Å |
| 642 | I | 78.3 | Confident | 74.6 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 176.3 | -68.1 | 164.2 | 0 | 0 | 0 | 111 | I579 F583 L631 D638 V640 S644 A645 I646 L673 I677 | I579-I642 HydrophobicContact CD1-CG2 3.71Å; I579-I642 HydrophobicContact CG1-CG2 4.16Å; I579-I642 HydrophobicContact CG2-CG2 3.91Å; F583-I642 HydrophobicContact CE2-CD1 3.32Å; F583-I642 HydrophobicContact CZ-CD1 3.34Å; L631-I642 HydrophobicContact CD1-CG2 4.08Å; D638-I642 WeakPolarHBondContact O-CD1 3.34Å; D638-I642 VanDerWaalsContact O-CG1 3.29Å; D638-I642 WeakPolarHBondContact O-CG1 3.49Å; D638-I642 PolarHBondContact O-N 2.99Å; V640-I642 VanDerWaalsContact C-N 3.34Å; V640-I642 PolarHBondContact O-N 2.87Å; I642-S644 PolarHBondContact O-N 2.79Å; I642-A645 PolarHBondContact O-N 2.85Å; I642-A645 VanDerWaalsContact O-N 3.12Å; I642-I646 HydrophobicContact CG2-CD1 3.88Å; I642-I646 HydrophobicContact CG2-CG1 4.24Å; I642-I646 WeakPolarHBondContact O-CG1 3.45Å; I642-I646 PolarHBondContact O-N 3.18Å; I642-L673 HydrophobicContact CG2-CD1 4.49Å; I642-I677 HydrophobicContact CB-CG2 4.44Å; I642-I677 HydrophobicContact CD1-CG2 4.29Å; I642-I677 HydrophobicContact CG1-CG2 3.34Å |
| 643 | S | 78.7 | Confident | 74.9 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -38.1 | 178.3 | 82.6 | 0 | 0 | 0 | 0 | 111.9 | K632 A639 V640 S641 Q647 | K632-S643 WeakPolarHBondContact CE-OG 3.46Å; A639-S643 VanDerWaalsContact O-CB 3.31Å; A639-S643 WeakPolarHBondContact O-CB 3.41Å; A639-S643 PolarHBondContact O-N 3.43Å; V640-S643 PolarHBondContact O-N 2.99Å; V640-S643 PolarHBondContact O-OG 3.4Å; S641-S643 PolarHBondContact O-N 3.1Å; S643-Q647 WeakPolarHBondContact O-CB 3.49Å; S643-Q647 PolarHBondContact O-N 2.9Å |
| 644 | S | 82.2 | Confident | 75.5 | Confident | 61 Ų | 61 | 47.5 Ų | 47.5 | 43% | 0.427 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.4 | -37.8 | 177.5 | 78.2 | 0 | 0 | 0 | 0 | 112.3 | V640 S641 I642 Q647 Q648 | V640-S644 PolarHBondContact O-N 3.31Å; V640-S644 VanDerWaalsContact O-N 3.07Å; S641-S644 PolarHBondContact O-N 2.98Å; S641-S644 PolarHBondContact O-OG 3.03Å; I642-S644 PolarHBondContact O-N 2.79Å; S644-Q647 WeakPolarHBondContact O-CB 3.37Å; S644-Q647 PolarHBondContact O-N 3.32Å; S644-Q648 WeakPolarHBondContact O-CG 3.31Å; S644-Q648 PolarHBondContact O-N 2.7Å |
| 645 | A | 84.1 | Confident | 76 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.8 | -38.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S641 I642 Q647 Q648 V649 L673 I677 | S641-A645 PolarHBondContact O-N 3.37Å; I642-A645 PolarHBondContact O-N 2.85Å; I642-A645 VanDerWaalsContact O-N 3.12Å; A645-Q647 VanDerWaalsContact C-N 3.27Å; A645-Q647 PolarHBondContact O-N 2.73Å; A645-Q648 WeakPolarHBondContact O-CB 3.48Å; A645-Q648 PolarHBondContact O-N 3.18Å; A645-V649 WeakPolarHBondContact O-CG2 3.36Å; A645-V649 PolarHBondContact O-N 2.84Å; A645-L673 HydrophobicContact CB-CB 4.35Å; A645-L673 HydrophobicContact CB-CD1 3.78Å; A645-I677 HydrophobicContact CB-CD1 3.18Å |
| 646 | I | 84.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.2 | -43.8 | 170.5 | -61.7 | 169 | 0 | 0 | 0 | 109.4 | I579 L627 I628 L631 I642 Q648 V649 L650 L673 | I579-I646 HydrophobicContact CD1-CD1 3.94Å; I579-I646 HydrophobicContact CD1-CG1 4.18Å; L627-I646 HydrophobicContact CD2-CD1 4.37Å; I628-I646 HydrophobicContact CD1-CB 4.27Å; I628-I646 HydrophobicContact CD1-CG2 3.87Å; I628-I646 HydrophobicContact CG1-CB 4.15Å; I628-I646 HydrophobicContact CG1-CG2 3.93Å; L631-I646 HydrophobicContact CD1-CD1 3.7Å; I642-I646 HydrophobicContact CG2-CD1 3.88Å; I642-I646 HydrophobicContact CG2-CG1 4.24Å; I642-I646 WeakPolarHBondContact O-CG1 3.45Å; I642-I646 PolarHBondContact O-N 3.18Å; I646-Q648 PolarHBondContact O-N 2.77Å; I646-V649 PolarHBondContact O-N 3.4Å; I646-L650 HydrophobicContact CG2-CD1 4.13Å; I646-L650 HydrophobicContact CG2-CG 4.41Å; I646-L650 WeakPolarHBondContact O-CG 2.96Å; I646-L650 PolarHBondContact O-N 2.63Å; I646-L673 HydrophobicContact CG1-CD1 4.21Å; I646-L673 HydrophobicContact CG1-CD2 4.23Å |
| 647 | Q | 84.8 | Confident | 76.8 | Confident | 48 Ų | 48 | 42.4 Ų | 42.4 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 177.5 | -170.8 | 57.4 | 51 | 0 | 0 | 111.6 | H625 I628 S643 S644 A645 V649 L650 D651 | H625-Q647 PolarHBondContact CE1-OE1 3.12Å; H625-Q647 PolarHBondContact ND1-OE1 3.13Å; I628-Q647 HydrophobicContact CD1-CB 4.14Å; I628-Q647 VanDerWaalsContact CD1-OE1 3.29Å; S643-Q647 WeakPolarHBondContact O-CB 3.49Å; S643-Q647 PolarHBondContact O-N 2.9Å; S644-Q647 WeakPolarHBondContact O-CB 3.37Å; S644-Q647 PolarHBondContact O-N 3.32Å; A645-Q647 VanDerWaalsContact C-N 3.27Å; A645-Q647 PolarHBondContact O-N 2.73Å; Q647-V649 VanDerWaalsContact C-N 3.34Å; Q647-V649 PolarHBondContact O-N 2.99Å; Q647-L650 PolarHBondContact O-N 3.44Å; Q647-D651 PolarHBondContact NE2-OD1 3.36Å; Q647-D651 PolarHBondContact NE2-OD2 3.41Å; Q647-D651 WeakPolarHBondContact O-CB 3.29Å; Q647-D651 PolarHBondContact O-N 3.4Å |
| 648 | Q | 85.5 | Confident | 77.2 | Confident | 96 Ų | 96 | 43.8 Ų | 43.8 | 45% | 0.449 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.2 | -41.4 | 174.4 | -73.4 | 175.6 | 3.2 | 0 | 0 | 112.8 | S644 A645 I646 D651 S652 N672 | S644-Q648 WeakPolarHBondContact O-CG 3.31Å; S644-Q648 PolarHBondContact O-N 2.7Å; A645-Q648 WeakPolarHBondContact O-CB 3.48Å; A645-Q648 PolarHBondContact O-N 3.18Å; I646-Q648 PolarHBondContact O-N 2.77Å; Q648-D651 PolarHBondContact O-N 3.04Å; Q648-S652 PolarHBondContact O-N 3.48Å; Q648-N672 PolarHBondContact OE1-ND2 2.99Å |
| 649 | V | 84.8 | Confident | 77.2 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | V572 A645 I646 Q647 D651 S652 F653 F666 P669 I670 L673 | V572-V649 HydrophobicContact CB-CG1 4.47Å; V572-V649 HydrophobicContact CG1-CG1 4.1Å; V572-V649 HydrophobicContact CG2-CG1 3.54Å; A645-V649 WeakPolarHBondContact O-CG2 3.36Å; A645-V649 PolarHBondContact O-N 2.84Å; I646-V649 PolarHBondContact O-N 3.4Å; Q647-V649 VanDerWaalsContact C-N 3.34Å; Q647-V649 PolarHBondContact O-N 2.99Å; V649-D651 VanDerWaalsContact C-N 3.32Å; V649-D651 PolarHBondContact O-N 3.4Å; V649-S652 PolarHBondContact O-N 3Å; V649-S652 PolarHBondContact O-OG 3.48Å; V649-F653 PolarHBondContact O-N 3.44Å; V649-F653 VanDerWaalsContact O-N 3.11Å; V649-F666 HydrophobicContact CG1-CE2 4.3Å; V649-P669 HydrophobicContact CB-CB 4.36Å; V649-P669 HydrophobicContact CG2-CB 3.63Å; V649-I670 HydrophobicContact CG1-CG1 4.27Å; V649-I670 HydrophobicContact CG2-CG1 4.45Å; V649-L673 HydrophobicContact CG2-CB 4.28Å; V649-L673 HydrophobicContact CG2-CD2 4.07Å |
| 650 | L | 83 | Confident | 77.4 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 177.1 | -67.4 | 171.3 | 0 | 0 | 0 | 112.4 | M569 Y624 I628 I646 Q647 F653 K654 | M569-L650 HydrophobicContact CE-CD2 4.21Å; Y624-L650 HydrophobicContact CD1-CD2 4.39Å; Y624-L650 HydrophobicContact CD2-CD2 4.5Å; Y624-L650 HydrophobicContact CG-CD2 4.07Å; I628-L650 HydrophobicContact CD1-CD1 3.8Å; I646-L650 HydrophobicContact CG2-CD1 4.13Å; I646-L650 HydrophobicContact CG2-CG 4.41Å; I646-L650 WeakPolarHBondContact O-CG 2.96Å; I646-L650 PolarHBondContact O-N 2.63Å; Q647-L650 PolarHBondContact O-N 3.44Å; L650-F653 WeakPolarHBondContact O-CB 3.45Å; L650-F653 PolarHBondContact O-N 3.06Å; L650-K654 PolarHBondContact O-N 3.4Å; L650-K654 VanDerWaalsContact O-N 3.11Å |
| 651 | D | 82.9 | Confident | 77.1 | Confident | 66 Ų | 66 | 49.4 Ų | 49.4 | 35% | 0.353 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.6 | -38.1 | 177.7 | -67.5 | -26.8 | 0 | 0 | 0 | 111.1 | Q647 Q648 V649 F653 K654 V655 | Q647-D651 PolarHBondContact NE2-OD1 3.36Å; Q647-D651 PolarHBondContact NE2-OD2 3.41Å; Q647-D651 WeakPolarHBondContact O-CB 3.29Å; Q647-D651 PolarHBondContact O-N 3.4Å; Q648-D651 PolarHBondContact O-N 3.04Å; V649-D651 VanDerWaalsContact C-N 3.32Å; V649-D651 PolarHBondContact O-N 3.4Å; D651-F653 PolarHBondContact O-N 3.26Å; D651-K654 PolarHBondContact O-N 3.08Å; D651-K654 VanDerWaalsContact O-N 3.12Å; D651-K654 IonicContact OD1-NZ 3.16Å; D651-V655 WeakPolarHBondContact O-CG2 3.19Å; D651-V655 PolarHBondContact O-N 3.25Å |
| 652 | S | 80.7 | Confident | 77.1 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -34 | 171.8 | 77.4 | 0 | 0 | 0 | 0 | 112.6 | Q648 V649 G656 | Q648-S652 PolarHBondContact O-N 3.48Å; V649-S652 PolarHBondContact O-N 3Å; V649-S652 PolarHBondContact O-OG 3.48Å; S652-G656 PolarHBondContact O-N 3.32Å |
| 653 | F | 79.3 | Confident | 77.2 | Confident | 23 Ų | 23 | 48.6 Ų | 48.6 | 10% | 0.101 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.5 | -34.8 | 175.5 | -167 | -87.1 | 0 | 0 | 0 | 112.8 | L564 K565 M569 V649 L650 D651 F666 | L564-F653 HydrophobicContact CD1-CD2 3.84Å; L564-F653 HydrophobicContact CD1-CE2 4.06Å; L564-F653 HydrophobicContact CD2-CD2 4.07Å; L564-F653 HydrophobicContact CD2-CE2 4.31Å; L564-F653 HydrophobicContact CG-CD2 3.69Å; L564-F653 HydrophobicContact CG-CE2 3.61Å; L564-F653 HydrophobicContact CG-CZ 4.43Å; L564-F653 WeakPolarHBondContact O-CE2 3.42Å; K565-F653 HydrophobicContact CB-CZ 4.47Å; K565-F653 HydrophobicContact CG-CE1 4.45Å; K565-F653 HydrophobicContact CG-CZ 3.85Å; M569-F653 HydrophobicContact CB-CE2 4.1Å; M569-F653 HydrophobicContact CB-CZ 4.33Å; M569-F653 HydrophobicContact SD-CD2 4.18Å; M569-F653 HydrophobicContact SD-CE1 4.41Å; M569-F653 HydrophobicContact SD-CE2 3.86Å; M569-F653 HydrophobicContact SD-CZ 3.98Å; V649-F653 PolarHBondContact O-N 3.44Å; V649-F653 VanDerWaalsContact O-N 3.11Å; L650-F653 WeakPolarHBondContact O-CB 3.45Å; L650-F653 PolarHBondContact O-N 3.06Å; D651-F653 PolarHBondContact O-N 3.26Å; F653-F666 HydrophobicContact CD2-CE2 4.34Å |
| 654 | K | 76.9 | Confident | 77.3 | Confident | 92 Ų | 92 | 53.3 Ų | 53.3 | 40% | 0.4 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.3 | -44.6 | 173.8 | -71.3 | 175.3 | -176.4 | 167.5 | 0 | 111.3 | L650 D651 G656 Q657 | L650-K654 PolarHBondContact O-N 3.4Å; L650-K654 VanDerWaalsContact O-N 3.11Å; D651-K654 PolarHBondContact O-N 3.08Å; D651-K654 VanDerWaalsContact O-N 3.12Å; D651-K654 IonicContact OD1-NZ 3.16Å; K654-G656 VanDerWaalsContact C-N 3.33Å; K654-G656 PolarHBondContact O-N 3.38Å; K654-Q657 PolarHBondContact O-N 3.05Å |
| 655 | V | 74.2 | Confident | 77.1 | Confident | 97 Ų | 97 | 54.2 Ų | 54.2 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | 176.8 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | D651 Q657 N658 | D651-V655 WeakPolarHBondContact O-CG2 3.19Å; D651-V655 PolarHBondContact O-N 3.25Å; V655-Q657 PolarHBondContact O-N 3.01Å; V655-Q657 VanDerWaalsContact O-N 3.08Å; V655-N658 PolarHBondContact O-N 3.31Å; V655-N658 VanDerWaalsContact O-N 3.12Å |
| 656 | G | 63.8 | Low | 77.1 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -9.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | S652 K654 N658 L660 | S652-G656 PolarHBondContact O-N 3.32Å; K654-G656 VanDerWaalsContact C-N 3.33Å; K654-G656 PolarHBondContact O-N 3.38Å; G656-N658 VanDerWaalsContact C-N 3.27Å; G656-N658 PolarHBondContact O-N 3.5Å; G656-L660 WeakPolarHBondContact O-CD1 3.37Å; G656-L660 WeakPolarHBondContact O-CG 3.46Å |
| 657 | Q | 69.2 | Low | 77.2 | Confident | 70 Ų | 70 | 55.1 Ų | 55.1 | 33% | 0.327 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -11.3 | 174.1 | -71.4 | -177.3 | 62.8 | 0 | 0 | 113.3 | K654 V655 | K654-Q657 PolarHBondContact O-N 3.05Å; V655-Q657 PolarHBondContact O-N 3.01Å; V655-Q657 VanDerWaalsContact O-N 3.08Å |
| 658 | N | 67.1 | Low | 77.1 | Confident | 131 Ų | 131 | 57.6 Ų | 57.6 | 70% | 0.701 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -108.2 | 89.7 | -176.7 | -61.9 | -21.1 | 0 | 0 | 0 | 110.7 | V655 G656 | V655-N658 PolarHBondContact O-N 3.31Å; V655-N658 VanDerWaalsContact O-N 3.12Å; G656-N658 VanDerWaalsContact C-N 3.27Å; G656-N658 PolarHBondContact O-N 3.5Å |
| 659 | N | 65.9 | Low | 77.1 | Confident | 135 Ų | 135 | 54 Ų | 54 | 72% | 0.722 | 30% | 0.3 | S | S | * | . | trans | 55.4 | 84.5 | 175.7 | -68.9 | -16 | 0 | 0 | 0 | 116.1 | ||||
| 660 | L | 69.6 | Low | 77.2 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | trans | -85.7 | 127.8 | 176.5 | -75.8 | 162.2 | 0 | 0 | 0 | 112.9 | N557 L560 I561 L564 G656 S662 L663 | N557-L660 PolarHBondContact OD1-O 3.01Å; L560-L660 HydrophobicContact CB-CB 4.09Å; L560-L660 HydrophobicContact CB-CD1 4.07Å; L560-L660 HydrophobicContact CD1-CB 4.07Å; I561-L660 HydrophobicContact CG1-CD1 4.12Å; L564-L660 HydrophobicContact CD2-CD1 4.21Å; G656-L660 WeakPolarHBondContact O-CD1 3.37Å; G656-L660 WeakPolarHBondContact O-CG 3.46Å; L660-S662 WeakPolarHBondContact CD2-O 3.38Å; L660-L663 HydrophobicContact CD1-CD2 4.11Å; L660-L663 HydrophobicContact CD2-CD2 4.39Å | ||
| 661 | T | 68.4 | Low | 77.2 | Confident | 120 Ų | 120 | 57.4 Ų | 57.4 | 74% | 0.736 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -97.3 | -27.4 | 162.4 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 662 | S | 75.1 | Confident | 77.2 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 27% | 0.266 | 31% | 0.31 | S | S | . | . | trans | -154.7 | 162.9 | 177.3 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | L660 | L660-S662 WeakPolarHBondContact CD2-O 3.38Š| ||
| 663 | L | 80.5 | Confident | 77.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -92.9 | 12.3 | 176.4 | -62.9 | 175.3 | 0 | 0 | 0 | 113.4 | L540 E544 L560 L563 L564 L660 T665 F666 Y667 | L540-L663 HydrophobicContact CD1-CD1 3.97Å; L540-L663 HydrophobicContact CG-CD1 4.13Å; E544-L663 HydrophobicContact CB-CD1 4.16Å; E544-L663 HydrophobicContact CG-CD1 4.19Å; E544-L663 HydrophobicContact CG-CG 4.38Å; E544-L663 WeakPolarHBondContact OE1-CB 3.32Å; E544-L663 PolarHBondContact OE1-N 3.43Å; L560-L663 HydrophobicContact CD2-CG 4.49Å; L563-L663 HydrophobicContact CD2-CD1 3.82Å; L563-L663 HydrophobicContact CG-CD1 4.36Å; L564-L663 HydrophobicContact CB-CD2 4.2Å; L564-L663 HydrophobicContact CD1-CD2 4.26Å; L660-L663 HydrophobicContact CD1-CD2 4.11Å; L660-L663 HydrophobicContact CD2-CD2 4.39Å; L663-T665 PolarHBondContact O-N 3.36Å; L663-F666 WeakPolarHBondContact O-CA 3.31Å; L663-F666 WeakPolarHBondContact O-CB 3.25Å; L663-F666 PolarHBondContact O-N 3Å; L663-Y667 HydrophobicContact CB-CD2 4.34Å; L663-Y667 HydrophobicContact CB-CE2 3.74Å; L663-Y667 VanDerWaalsContact O-CD2 3.3Å; L663-Y667 WeakPolarHBondContact O-CD2 3.42Å; L663-Y667 PolarHBondContact O-N 3.44Å; L663-Y667 VanDerWaalsContact O-N 3.08Å |
| 664 | D | 80.3 | Confident | 77.5 | Confident | 102 Ų | 102 | 54.9 Ų | 54.9 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.6 | -35 | -179 | -78.9 | -19.8 | 0 | 0 | 0 | 113.6 | F666 Y667 T668 | D664-F666 PolarHBondContact O-N 3.11Å; D664-Y667 PolarHBondContact O-N 3.41Å; D664-T668 PolarHBondContact O-N 2.65Å; D664-T668 PolarHBondContact O-OG1 2.61Å |
| 665 | T | 79.9 | Confident | 77.6 | Confident | 79 Ų | 79 | 52.2 Ų | 52.2 | 49% | 0.485 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.6 | -21.9 | 174.3 | 43.9 | 0 | 0 | 0 | 0 | 113.1 | L663 P669 | L663-T665 PolarHBondContact O-N 3.36Å; T665-P669 WeakPolarHBondContact O-CD 3.3Å; T665-P669 WeakPolarHBondContact O-CG 3.11Å |
| 666 | F | 83.5 | Confident | 77.6 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 1% | 0.013 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -94.7 | -35.2 | 177.7 | 179.7 | -108.6 | 0 | 0 | 0 | 112.8 | L540 L564 V572 V649 F653 L663 D664 T668 P669 I670 | L540-F666 HydrophobicContact CD2-CD1 4.03Å; L540-F666 HydrophobicContact CD2-CE1 3.74Å; L564-F666 HydrophobicContact CD1-CB 4.33Å; L564-F666 HydrophobicContact CD1-CD1 3.89Å; L564-F666 HydrophobicContact CD1-CD2 3.72Å; L564-F666 HydrophobicContact CD1-CE1 3.98Å; L564-F666 HydrophobicContact CD1-CE2 3.84Å; L564-F666 HydrophobicContact CD1-CG 3.72Å; L564-F666 HydrophobicContact CD1-CZ 3.93Å; V572-F666 HydrophobicContact CG2-CE2 4.16Å; V572-F666 HydrophobicContact CG2-CZ 4.09Å; V649-F666 HydrophobicContact CG1-CE2 4.3Å; F653-F666 HydrophobicContact CD2-CE2 4.34Å; L663-F666 WeakPolarHBondContact O-CA 3.31Å; L663-F666 WeakPolarHBondContact O-CB 3.25Å; L663-F666 PolarHBondContact O-N 3Å; D664-F666 PolarHBondContact O-N 3.11Å; F666-T668 VanDerWaalsContact C-N 3.32Å; F666-T668 PolarHBondContact O-N 3.42Å; F666-P669 WeakPolarHBondContact O-CD 3.4Å; F666-I670 HydrophobicContact CD1-CD1 3.87Å; F666-I670 HydrophobicContact CD2-CD1 4.42Å; F666-I670 HydrophobicContact CE1-CD1 3.19Å; F666-I670 HydrophobicContact CE1-CG1 4.26Å; F666-I670 HydrophobicContact CE2-CD1 3.83Å; F666-I670 HydrophobicContact CE2-CG1 4.3Å; F666-I670 HydrophobicContact CG-CD1 4.46Å; F666-I670 HydrophobicContact CZ-CD1 3.19Å; F666-I670 HydrophobicContact CZ-CG1 4.13Å; F666-I670 PolarHBondContact O-N 3.31Å |
| 667 | Y | 85.5 | Confident | 78.2 | Confident | 18 Ų | 18 | 55 Ų | 55 | 7% | 0.071 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.5 | -35.4 | 177.9 | -68.4 | -54.1 | 0 | 0 | 0 | 113.1 | V537 L540 Q541 E544 L663 D664 I670 K671 F685 | V537-Y667 HydrophobicContact CG1-CE1 4.46Å; L540-Y667 HydrophobicContact CD2-CE1 3.85Å; L540-Y667 HydrophobicContact CG-CE1 4.29Å; Q541-Y667 WeakPolarHBondContact CA-OH 3.4Å; Q541-Y667 HydrophobicContact CG-CE1 3.78Å; Q541-Y667 HydrophobicContact CG-CE2 4.34Å; Q541-Y667 WeakPolarHBondContact CG-OH 3.33Å; Q541-Y667 PolarHBondContact N-OH 2.7Å; E544-Y667 WeakPolarHBondContact OE2-CE2 3.41Å; E544-Y667 VanDerWaalsContact OE2-CZ 3.29Å; E544-Y667 PolarHBondContact OE2-OH 2.95Å; L663-Y667 HydrophobicContact CB-CD2 4.34Å; L663-Y667 HydrophobicContact CB-CE2 3.74Å; L663-Y667 VanDerWaalsContact O-CD2 3.3Å; L663-Y667 WeakPolarHBondContact O-CD2 3.42Å; L663-Y667 PolarHBondContact O-N 3.44Å; L663-Y667 VanDerWaalsContact O-N 3.08Å; D664-Y667 PolarHBondContact O-N 3.41Å; Y667-I670 PolarHBondContact O-N 3.21Å; Y667-K671 VanDerWaalsContact O-CB 3.31Å; Y667-K671 WeakPolarHBondContact O-CB 3.08Å; Y667-K671 PolarHBondContact O-N 3.42Å; Y667-F685 AromaticContact CD1-CE1 3.91Å; Y667-F685 HydrophobicContact CD1-CE1 3.91Å; Y667-F685 HydrophobicContact CD1-CZ 4.45Å; Y667-F685 HydrophobicContact CG-CE1 4.32Å |
| 668 | T | 84 | Confident | 78.4 | Confident | 99 Ų | 99 | 52.1 Ų | 52.1 | 61% | 0.607 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.5 | -51 | -176.6 | -52.6 | 0 | 0 | 0 | 0 | 112.3 | D664 F666 I670 K671 N672 | D664-T668 PolarHBondContact O-N 2.65Å; D664-T668 PolarHBondContact O-OG1 2.61Å; F666-T668 VanDerWaalsContact C-N 3.32Å; F666-T668 PolarHBondContact O-N 3.42Å; T668-I670 PolarHBondContact O-N 3.46Å; T668-K671 PolarHBondContact O-N 3.06Å; T668-N672 PolarHBondContact O-N 3.18Å |
| 669 | P | 85 | Confident | 78.5 | Confident | 20 Ų | 20 | 47.8 Ų | 47.8 | 13% | 0.13 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 174 | -25.3 | 36.4 | 0 | 0 | 0 | 113.8 | V649 T665 F666 N672 L673 | V649-P669 HydrophobicContact CB-CB 4.36Å; V649-P669 HydrophobicContact CG2-CB 3.63Å; T665-P669 WeakPolarHBondContact O-CD 3.3Å; T665-P669 WeakPolarHBondContact O-CG 3.11Å; F666-P669 WeakPolarHBondContact O-CD 3.4Å; P669-N672 PolarHBondContact O-N 3.39Å; P669-L673 WeakPolarHBondContact O-CB 3.28Å; P669-L673 PolarHBondContact O-N 3.05Å |
| 670 | I | 86 | Confident | 79 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | 176.3 | -75.8 | -167.6 | 0 | 0 | 0 | 111.1 | I571 V649 F666 Y667 T668 N672 L673 S674 F685 | I571-I670 HydrophobicContact CB-CD1 4.42Å; I571-I670 HydrophobicContact CG2-CD1 3.89Å; I571-I670 HydrophobicContact CG2-CG2 4.49Å; V649-I670 HydrophobicContact CG1-CG1 4.27Å; V649-I670 HydrophobicContact CG2-CG1 4.45Å; F666-I670 HydrophobicContact CD1-CD1 3.87Å; F666-I670 HydrophobicContact CD2-CD1 4.42Å; F666-I670 HydrophobicContact CE1-CD1 3.19Å; F666-I670 HydrophobicContact CE1-CG1 4.26Å; F666-I670 HydrophobicContact CE2-CD1 3.83Å; F666-I670 HydrophobicContact CE2-CG1 4.3Å; F666-I670 HydrophobicContact CG-CD1 4.46Å; F666-I670 HydrophobicContact CZ-CD1 3.19Å; F666-I670 HydrophobicContact CZ-CG1 4.13Å; F666-I670 PolarHBondContact O-N 3.31Å; Y667-I670 PolarHBondContact O-N 3.21Å; T668-I670 PolarHBondContact O-N 3.46Å; I670-N672 VanDerWaalsContact C-N 3.32Å; I670-N672 PolarHBondContact O-N 2.85Å; I670-L673 PolarHBondContact O-N 3.24Å; I670-S674 VanDerWaalsContact O-CB 3.31Å; I670-S674 WeakPolarHBondContact O-CB 3.41Å; I670-S674 PolarHBondContact O-N 2.96Å; I670-S674 PolarHBondContact O-OG 2.89Å; I670-F685 HydrophobicContact CB-CZ 4.42Å; I670-F685 HydrophobicContact CG2-CE2 3.96Å; I670-F685 HydrophobicContact CG2-CZ 3.68Å |
| 671 | K | 84.1 | Confident | 79.3 | Confident | 84 Ų | 84 | 44.9 Ų | 44.9 | 37% | 0.365 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 177.7 | -178 | -176.1 | 174.2 | -179.2 | 0 | 110.9 | Y667 T668 S674 V675 D676 F685 | Y667-K671 VanDerWaalsContact O-CB 3.31Å; Y667-K671 WeakPolarHBondContact O-CB 3.08Å; Y667-K671 PolarHBondContact O-N 3.42Å; T668-K671 PolarHBondContact O-N 3.06Å; K671-S674 PolarHBondContact O-N 3.49Å; K671-V675 HydrophobicContact CG-CB 4.43Å; K671-V675 HydrophobicContact CG-CG2 4.19Å; K671-V675 WeakPolarHBondContact O-CA 3.48Å; K671-V675 WeakPolarHBondContact O-CB 3.49Å; K671-V675 PolarHBondContact O-N 3.36Å; K671-D676 PolarHBondContact O-N 3.42Å; K671-F685 HydrophobicContact CB-CD1 4.24Å; K671-F685 HydrophobicContact CB-CD2 4.09Å; K671-F685 HydrophobicContact CB-CE1 4.35Å; K671-F685 HydrophobicContact CB-CE2 4.21Å; K671-F685 HydrophobicContact CB-CG 4.13Å; K671-F685 HydrophobicContact CB-CZ 4.35Å; K671-F685 HydrophobicContact CD-CB 4.03Å; K671-F685 HydrophobicContact CD-CG 4.24Å; K671-F685 HydrophobicContact CG-CB 4.13Å; K671-F685 HydrophobicContact CG-CD1 4.48Å; K671-F685 HydrophobicContact CG-CD2 4.09Å; K671-F685 HydrophobicContact CG-CG 4Å |
| 672 | N | 82.1 | Confident | 79.6 | Confident | 50 Ų | 50 | 39.1 Ų | 39.1 | 27% | 0.267 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -57.8 | -51.8 | 175.6 | -176.1 | 21.2 | 0 | 0 | 0 | 111.4 | Q648 T668 P669 I670 S674 D676 I677 | Q648-N672 PolarHBondContact OE1-ND2 2.99Å; T668-N672 PolarHBondContact O-N 3.18Å; P669-N672 PolarHBondContact O-N 3.39Å; I670-N672 VanDerWaalsContact C-N 3.32Å; I670-N672 PolarHBondContact O-N 2.85Å; N672-S674 PolarHBondContact O-N 3.32Å; N672-D676 WeakPolarHBondContact CA-OD2 3.47Å; N672-D676 WeakPolarHBondContact O-CB 3.46Å; N672-D676 PolarHBondContact O-N 3.36Å; N672-I677 WeakPolarHBondContact O-CG1 3.43Å; N672-I677 PolarHBondContact O-N 2.86Å |
| 673 | L | 83.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -62.2 | -46.3 | -179.9 | -179.8 | 61.7 | 0 | 0 | 0 | 112.6 | L575 I579 I642 A645 I646 V649 P669 I670 L678 | L575-L673 HydrophobicContact CB-CD2 4.47Å; L575-L673 HydrophobicContact CD1-CD2 4.12Å; I579-L673 HydrophobicContact CD1-CD1 4.2Å; I642-L673 HydrophobicContact CG2-CD1 4.49Å; A645-L673 HydrophobicContact CB-CB 4.35Å; A645-L673 HydrophobicContact CB-CD1 3.78Å; I646-L673 HydrophobicContact CG1-CD1 4.21Å; I646-L673 HydrophobicContact CG1-CD2 4.23Å; V649-L673 HydrophobicContact CG2-CB 4.28Å; V649-L673 HydrophobicContact CG2-CD2 4.07Å; P669-L673 WeakPolarHBondContact O-CB 3.28Å; P669-L673 PolarHBondContact O-N 3.05Å; I670-L673 PolarHBondContact O-N 3.24Å; L673-L678 HydrophobicContact CG-CD1 4.4Å; L673-L678 VanDerWaalsContact O-CG 3.24Å; L673-L678 WeakPolarHBondContact O-CG 3.41Å; L673-L678 PolarHBondContact O-N 3.33Å; L673-L678 VanDerWaalsContact O-N 3.07Å |
| 674 | S | 83.2 | Confident | 79 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -83.4 | -44.7 | -171.2 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | I670 K671 N672 L678 G679 L680 I682 | I670-S674 VanDerWaalsContact O-CB 3.31Å; I670-S674 WeakPolarHBondContact O-CB 3.41Å; I670-S674 PolarHBondContact O-N 2.96Å; I670-S674 PolarHBondContact O-OG 2.89Å; K671-S674 PolarHBondContact O-N 3.49Å; N672-S674 PolarHBondContact O-N 3.32Å; S674-L678 WeakPolarHBondContact O-CB 3.24Å; S674-G679 PolarHBondContact O-N 2.84Å; S674-L680 VanDerWaalsContact O-CB 3.22Å; S674-L680 WeakPolarHBondContact O-CB 3.42Å; S674-L680 PolarHBondContact O-N 3.04Å; S674-I682 VanDerWaalsContact CB-CD1 3.43Å; S674-I682 WeakPolarHBondContact OG-CD1 3.39Å |
| 675 | V | 79 | Confident | 78.4 | Confident | 35 Ų | 35 | 37.5 Ų | 37.5 | 21% | 0.212 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -90.2 | -53.5 | -175.8 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | K671 G679 I682 F685 | K671-V675 HydrophobicContact CG-CB 4.43Å; K671-V675 HydrophobicContact CG-CG2 4.19Å; K671-V675 WeakPolarHBondContact O-CA 3.48Å; K671-V675 WeakPolarHBondContact O-CB 3.49Å; K671-V675 PolarHBondContact O-N 3.36Å; V675-G679 WeakPolarHBondContact O-CA 3.48Å; V675-G679 PolarHBondContact O-N 3.35Å; V675-I682 HydrophobicContact CG2-CB 4.25Å; V675-I682 HydrophobicContact CG2-CD1 4.44Å; V675-F685 HydrophobicContact CG2-CD2 4.12Å |
| 676 | D | 74.8 | Confident | 77.6 | Confident | 109 Ų | 109 | 38.1 Ų | 38.1 | 58% | 0.583 | 22% | 0.218 | S | C | * | . | I | π-helix | trans | -77.3 | -36 | -169.3 | -55.8 | -30 | 0 | 0 | 0 | 111.7 | K671 N672 | K671-D676 PolarHBondContact O-N 3.42Å; N672-D676 WeakPolarHBondContact CA-OD2 3.47Å; N672-D676 WeakPolarHBondContact O-CB 3.46Å; N672-D676 PolarHBondContact O-N 3.36Å |
| 677 | I | 74.6 | Confident | 76 | Confident | 51 Ų | 51 | 42.5 Ų | 42.5 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -96.2 | -53.7 | -177.5 | -62 | 172 | 0 | 0 | 0 | 112 | I642 A645 N672 G679 | I642-I677 HydrophobicContact CB-CG2 4.44Å; I642-I677 HydrophobicContact CD1-CG2 4.29Å; I642-I677 HydrophobicContact CG1-CG2 3.34Å; A645-I677 HydrophobicContact CB-CD1 3.18Å; N672-I677 WeakPolarHBondContact O-CG1 3.43Å; N672-I677 PolarHBondContact O-N 2.86Å; I677-G679 VanDerWaalsContact C-N 3.33Å |
| 678 | L | 73.2 | Confident | 74.3 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -11.2 | -178.5 | -65 | 169.2 | 0 | 0 | 0 | 113.8 | K526 L575 I579 L673 S674 L680 | K526-L678 PolarHBondContact NZ-O 3.42Å; L575-L678 HydrophobicContact CD2-CD1 3.99Å; I579-L678 HydrophobicContact CD1-CD1 4.14Å; I579-L678 HydrophobicContact CD1-CD2 4.36Å; I579-L678 HydrophobicContact CG1-CD1 4.1Å; I579-L678 HydrophobicContact CG1-CD2 3.73Å; I579-L678 HydrophobicContact CG1-CG 4.49Å; L673-L678 HydrophobicContact CG-CD1 4.4Å; L673-L678 VanDerWaalsContact O-CG 3.24Å; L673-L678 WeakPolarHBondContact O-CG 3.41Å; L673-L678 PolarHBondContact O-N 3.33Å; L673-L678 VanDerWaalsContact O-N 3.07Å; S674-L678 WeakPolarHBondContact O-CB 3.24Å; L678-L680 VanDerWaalsContact C-N 3.27Å; L678-L680 HydrophobicContact CB-CD1 4.24Å; L678-L680 HydrophobicContact CB-CG 4.04Å; L678-L680 HydrophobicContact CD1-CD1 4.25Å; L678-L680 PolarHBondContact O-N 3.28Å |
| 679 | G | 69.6 | Low | 72.5 | Confident | 39 Ų | 39 | 47.9 Ų | 47.9 | 40% | 0.402 | 28% | 0.278 | S | S | . | . | trans | 63 | 31.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K526 S674 V675 I677 | K526-G679 VanDerWaalsContact CE-O 3.29Å; K526-G679 WeakPolarHBondContact CE-O 3.1Å; K526-G679 PolarHBondContact NZ-O 2.66Å; S674-G679 PolarHBondContact O-N 2.84Å; V675-G679 WeakPolarHBondContact O-CA 3.48Å; V675-G679 PolarHBondContact O-N 3.35Å; I677-G679 VanDerWaalsContact C-N 3.33Å | ||
| 680 | L | 76.8 | Confident | 70.6 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | trans | -80.6 | 132.3 | 173.9 | -60.4 | 170.6 | 0 | 0 | 0 | 109.6 | K526 T529 Q530 L575 S674 L678 I682 | K526-L680 HydrophobicContact CD-CD2 4.4Å; K526-L680 HydrophobicContact CG-CD2 3.62Å; T529-L680 HydrophobicContact CG2-CD1 4.24Å; Q530-L680 HydrophobicContact CB-CD2 4.32Å; L575-L680 HydrophobicContact CD2-CD1 3.59Å; S674-L680 VanDerWaalsContact O-CB 3.22Å; S674-L680 WeakPolarHBondContact O-CB 3.42Å; S674-L680 PolarHBondContact O-N 3.04Å; L678-L680 VanDerWaalsContact C-N 3.27Å; L678-L680 HydrophobicContact CB-CD1 4.24Å; L678-L680 HydrophobicContact CB-CG 4.04Å; L678-L680 HydrophobicContact CD1-CD1 4.25Å; L678-L680 PolarHBondContact O-N 3.28Å; L680-I682 HydrophobicContact CB-CD1 4.46Å; L680-I682 HydrophobicContact CB-CG1 4.33Å; L680-I682 PolarHBondContact O-N 3.29Å; L680-I682 VanDerWaalsContact O-N 3.12Å | ||
| 681 | T | 75.4 | Confident | 69 | Low | 83 Ų | 83 | 59.8 Ų | 59.8 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | trans | -86.6 | 87.1 | 178.7 | -51.4 | 0 | 0 | 0 | 0 | 110.5 | Q530 S683 | Q530-T681 WeakPolarHBondContact CG-O 3.43Å; Q530-T681 PolarHBondContact NE2-O 3.33Å; T681-S683 PolarHBondContact O-N 3.21Å | ||
| 682 | I | 75.1 | Confident | 67.7 | Low | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -92.2 | 99.1 | 178.4 | -62.3 | 167.4 | 0 | 0 | 0 | 109.4 | V533 N534 S674 V675 L680 V684 F685 H686 | V533-I682 HydrophobicContact CG1-CD1 3.6Å; V533-I682 HydrophobicContact CG1-CG1 4.38Å; N534-I682 HydrophobicContact CB-CG2 4.38Å; N534-I682 WeakPolarHBondContact OD1-CG2 3.49Å; S674-I682 VanDerWaalsContact CB-CD1 3.43Å; S674-I682 WeakPolarHBondContact OG-CD1 3.39Å; V675-I682 HydrophobicContact CG2-CB 4.25Å; V675-I682 HydrophobicContact CG2-CD1 4.44Å; L680-I682 HydrophobicContact CB-CD1 4.46Å; L680-I682 HydrophobicContact CB-CG1 4.33Å; L680-I682 PolarHBondContact O-N 3.29Å; L680-I682 VanDerWaalsContact O-N 3.12Å; I682-V684 HydrophobicContact CG2-CB 4.14Å; I682-V684 PolarHBondContact O-N 3.31Å; I682-V684 VanDerWaalsContact O-N 3.11Å; I682-F685 HydrophobicContact CB-CD2 3.79Å; I682-F685 HydrophobicContact CB-CE2 4.25Å; I682-F685 HydrophobicContact CD1-CD2 4.28Å; I682-F685 HydrophobicContact CD1-CE2 3.98Å; I682-F685 HydrophobicContact CG2-CD2 3.48Å; I682-F685 VanDerWaalsContact CG2-CD2 3.48Å; I682-F685 HydrophobicContact CG2-CE2 3.76Å; I682-F685 HydrophobicContact CG2-CG 4.32Å; I682-F685 PolarHBondContact O-N 3.39Å; I682-H686 PolarHBondContact O-CE1 2.9Å; I682-H686 PolarHBondContact O-ND1 2.97Å | ||
| 683 | S | 71.1 | Confident | 67.1 | Low | 70 Ų | 70 | 63 Ų | 63 | 49% | 0.49 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -55.2 | -28.6 | -178.6 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | N534 T681 F685 H686 | N534-S683 PolarHBondContact ND2-OG 3.25Å; N534-S683 VanDerWaalsContact ND2-OG 3.09Å; N534-S683 PolarHBondContact OD1-N 3.39Å; N534-S683 VanDerWaalsContact OD1-N 3.09Å; N534-S683 PolarHBondContact OD1-OG 3.25Å; T681-S683 PolarHBondContact O-N 3.21Å; S683-F685 PolarHBondContact O-N 2.86Å; S683-H686 WeakPolarHBondContact O-CB 3.13Å; S683-H686 PolarHBondContact O-N 3.33Å |
| 684 | V | 71.7 | Confident | 66.7 | Low | 11 Ų | 11 | 69.7 Ų | 69.7 | 7% | 0.067 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -66.3 | -33.1 | -177.2 | 176.3 | 0 | 0 | 0 | 0 | 113.3 | N534 V537 L538 Q541 I682 H686 | N534-V684 VanDerWaalsContact OD1-CG2 3.26Å; N534-V684 WeakPolarHBondContact OD1-CG2 3.48Å; N534-V684 PolarHBondContact OD1-N 2.83Å; V537-V684 HydrophobicContact CG1-CB 4.27Å; V537-V684 HydrophobicContact CG1-CG1 3.8Å; L538-V684 HydrophobicContact CB-CG2 3.88Å; L538-V684 HydrophobicContact CD1-CG2 4.19Å; Q541-V684 HydrophobicContact CG-CG1 4.49Å; I682-V684 HydrophobicContact CG2-CB 4.14Å; I682-V684 PolarHBondContact O-N 3.31Å; I682-V684 VanDerWaalsContact O-N 3.11Å; V684-H686 VanDerWaalsContact C-N 3.3Å |
| 685 | F | 68.7 | Low | 66.4 | Low | 25 Ų | 25 | 72.9 Ų | 72.9 | 11% | 0.11 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -81.1 | -8.7 | 177.7 | -66.9 | -53.8 | 0 | 0 | 0 | 113.9 | V537 Y667 I670 K671 V675 I682 S683 | V537-F685 HydrophobicContact CG1-CE1 3.97Å; V537-F685 HydrophobicContact CG1-CE2 4.28Å; V537-F685 HydrophobicContact CG1-CZ 3.7Å; V537-F685 HydrophobicContact CG2-CE2 4.42Å; V537-F685 HydrophobicContact CG2-CZ 4.19Å; Y667-F685 AromaticContact CD1-CE1 3.91Å; Y667-F685 HydrophobicContact CD1-CE1 3.91Å; Y667-F685 HydrophobicContact CD1-CZ 4.45Å; Y667-F685 HydrophobicContact CG-CE1 4.32Å; I670-F685 HydrophobicContact CB-CZ 4.42Å; I670-F685 HydrophobicContact CG2-CE2 3.96Å; I670-F685 HydrophobicContact CG2-CZ 3.68Å; K671-F685 HydrophobicContact CB-CD1 4.24Å; K671-F685 HydrophobicContact CB-CD2 4.09Å; K671-F685 HydrophobicContact CB-CE1 4.35Å; K671-F685 HydrophobicContact CB-CE2 4.21Å; K671-F685 HydrophobicContact CB-CG 4.13Å; K671-F685 HydrophobicContact CB-CZ 4.35Å; K671-F685 HydrophobicContact CD-CB 4.03Å; K671-F685 HydrophobicContact CD-CG 4.24Å; K671-F685 HydrophobicContact CG-CB 4.13Å; K671-F685 HydrophobicContact CG-CD1 4.48Å; K671-F685 HydrophobicContact CG-CD2 4.09Å; K671-F685 HydrophobicContact CG-CG 4Å; V675-F685 HydrophobicContact CG2-CD2 4.12Å; I682-F685 HydrophobicContact CB-CD2 3.79Å; I682-F685 HydrophobicContact CB-CE2 4.25Å; I682-F685 HydrophobicContact CD1-CD2 4.28Å; I682-F685 HydrophobicContact CD1-CE2 3.98Å; I682-F685 HydrophobicContact CG2-CD2 3.48Å; I682-F685 VanDerWaalsContact CG2-CD2 3.48Å; I682-F685 HydrophobicContact CG2-CE2 3.76Å; I682-F685 HydrophobicContact CG2-CG 4.32Å; I682-F685 PolarHBondContact O-N 3.39Å; S683-F685 PolarHBondContact O-N 2.86Å |
| 686 | H | 62.1 | Low | 66.3 | Low | 93 Ų | 93 | 77.2 Ų | 77.2 | 43% | 0.431 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -69.4 | 137.2 | 178.7 | -71.2 | 66.1 | 0 | 0 | 0 | 109.1 | I682 S683 V684 | I682-H686 PolarHBondContact O-CE1 2.9Å; I682-H686 PolarHBondContact O-ND1 2.97Å; S683-H686 WeakPolarHBondContact O-CB 3.13Å; S683-H686 PolarHBondContact O-N 3.33Å; V684-H686 VanDerWaalsContact C-N 3.3Å |
| 687 | P | 51.1 | Low | 66.6 | Low | 95 Ų | 95 | 80.5 Ų | 80.5 | 62% | 0.617 | 43% | 0.428 | S | S | * | . | trans | -54.6 | 137.8 | 176.9 | 21.4 | -30.5 | 0 | 0 | 0 | 108.8 | N689 | P687-N689 VanDerWaalsContact C-N 3.3Å; P687-N689 PolarHBondContact O-N 3.26Å | ||
| 688 | P | 48.4 | Very low | 67 | Low | 99 Ų | 99 | 81.4 Ų | 81.4 | 64% | 0.643 | 43% | 0.433 | S | S | * | . | trans | -61.6 | 97.8 | 176.5 | 25.8 | -32 | 0 | 0 | 0 | 107.9 | S690 | P688-S690 PolarHBondContact O-N 3.02Š| ||
| 689 | N | 46 | Very low | 67.6 | Low | 130 Ų | 130 | 81.8 Ų | 81.8 | 70% | 0.695 | 44% | 0.435 | S | S | * | . | trans | -57.9 | 117.9 | 163.1 | -92.4 | -10.3 | 0 | 0 | 0 | 106.2 | P687 H691 N692 | P687-N689 VanDerWaalsContact C-N 3.3Å; P687-N689 PolarHBondContact O-N 3.26Å; N689-H691 PolarHBondContact O-N 2.99Å; N689-N692 PolarHBondContact O-N 3.46Å | ||
| 690 | S | 46.4 | Very low | 68.3 | Low | 106 Ų | 106 | 85.2 Ų | 85.2 | 74% | 0.741 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -7.2 | 114.5 | 169.1 | -175.4 | 0 | 0 | 0 | 0 | 114.4 | P688 N692 | P688-S690 PolarHBondContact O-N 3.02Å; S690-N692 PolarHBondContact O-N 3.4Å |
| 691 | H | 52 | Low | 68.8 | Low | 166 Ų | 166 | 89.9 Ų | 89.9 | 77% | 0.769 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 44.5 | 170.8 | -63.5 | -69.2 | 0 | 0 | 0 | 116.8 | N689 N693 | N689-H691 PolarHBondContact O-N 2.99Å; H691-N693 VanDerWaalsContact C-N 3.32Å; H691-N693 PolarHBondContact O-N 3.38Å |
| 692 | N | 57.3 | Low | 69.5 | Low | 83 Ų | 83 | 86.8 Ų | 86.8 | 44% | 0.444 | 44% | 0.44 | S | S | . | . | trans | -76 | 82.7 | 176.8 | -152.9 | 3.5 | 0 | 0 | 0 | 111.4 | N689 S690 K694 R695 E696 | N689-N692 PolarHBondContact O-N 3.46Å; S690-N692 PolarHBondContact O-N 3.4Å; N692-K694 PolarHBondContact O-N 3.38Å; N692-K694 WeakPolarHBondContact OD1-CB 3.37Å; N692-R695 HydrophobicContact CB-CB 4.26Å; N692-R695 WeakPolarHBondContact O-CB 3.49Å; N692-R695 PolarHBondContact O-N 3.5Å; N692-E696 PolarHBondContact O-N 3.02Å | ||
| 693 | N | 69.3 | Low | 70.1 | Confident | 118 Ų | 118 | 86.8 Ų | 86.8 | 63% | 0.631 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -49 | -24.6 | 172.1 | -70.5 | -21.7 | 0 | 0 | 0 | 112.7 | H691 R697 | H691-N693 VanDerWaalsContact C-N 3.32Å; H691-N693 PolarHBondContact O-N 3.38Å; N693-R697 WeakPolarHBondContact O-CB 3.46Å; N693-R697 PolarHBondContact O-N 3.15Å; N693-R697 VanDerWaalsContact O-N 3.1Å |
| 694 | K | 75.4 | Confident | 71 | Confident | 141 Ų | 141 | 85.1 Ų | 85.1 | 61% | 0.613 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65 | -44.3 | 173.7 | -171.4 | 176.3 | 178.5 | -179.8 | 0 | 112.3 | N692 R697 D698 | N692-K694 PolarHBondContact O-N 3.38Å; N692-K694 WeakPolarHBondContact OD1-CB 3.37Å; K694-R697 WeakPolarHBondContact O-CB 3.47Å; K694-R697 PolarHBondContact O-N 3.38Å; K694-D698 PolarHBondContact O-N 3.38Å |
| 695 | R | 75.7 | Confident | 71.9 | Confident | 66 Ų | 66 | 88.4 Ų | 88.4 | 25% | 0.249 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 178.9 | -178.7 | 177.5 | 177.1 | 153.2 | 7.2 | 111.2 | N692 R697 D698 E699 | N692-R695 HydrophobicContact CB-CB 4.26Å; N692-R695 WeakPolarHBondContact O-CB 3.49Å; N692-R695 PolarHBondContact O-N 3.5Å; R695-R697 VanDerWaalsContact C-N 3.26Å; R695-R697 PolarHBondContact O-N 3.49Å; R695-D698 PolarHBondContact O-N 3.47Å; R695-E699 HydrophobicContact CG-CG 4.36Å; R695-E699 WeakPolarHBondContact CG-OE1 3.37Å; R695-E699 IonicContact CZ-OE1 2.64Å; R695-E699 IonicContact NE-OE1 2.72Å; R695-E699 PolarHBondContact NE-OE1 3.3Å; R695-E699 IonicContact NH2-OE1 3.63Å; R695-E699 WeakPolarHBondContact O-CB 3.25Å; R695-E699 VanDerWaalsContact O-CG 3.31Å; R695-E699 WeakPolarHBondContact O-CG 3.26Å; R695-E699 PolarHBondContact O-N 3.33Å |
| 696 | E | 77.5 | Confident | 72.9 | Confident | 126 Ų | 126 | 87.7 Ų | 87.7 | 59% | 0.589 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -60 | -38.9 | 175.7 | -70.2 | -176.1 | 178.3 | 0 | 0 | 111.9 | N692 R700 | N692-E696 PolarHBondContact O-N 3.02Å; E696-R700 WeakPolarHBondContact O-CB 3.31Å; E696-R700 PolarHBondContact O-N 3.4Å |
| 697 | R | 81.5 | Confident | 74.2 | Confident | 178 Ų | 178 | 83.3 Ų | 83.3 | 67% | 0.672 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.4 | -44.9 | 174.9 | -174.8 | 178.7 | 179.7 | 170.3 | 0.4 | 112 | N693 K694 R695 R700 L701 | N693-R697 WeakPolarHBondContact O-CB 3.46Å; N693-R697 PolarHBondContact O-N 3.15Å; N693-R697 VanDerWaalsContact O-N 3.1Å; K694-R697 WeakPolarHBondContact O-CB 3.47Å; K694-R697 PolarHBondContact O-N 3.38Å; R695-R697 VanDerWaalsContact C-N 3.26Å; R695-R697 PolarHBondContact O-N 3.49Å; R697-R700 PolarHBondContact O-N 3.04Å; R697-L701 HydrophobicContact CG-CD1 4.19Å; R697-L701 WeakPolarHBondContact O-CB 3.29Å; R697-L701 VanDerWaalsContact O-CG 3.28Å; R697-L701 WeakPolarHBondContact O-CG 3.47Å; R697-L701 PolarHBondContact O-N 3.32Å |
| 698 | D | 82.1 | Confident | 76.1 | Confident | 71 Ų | 71 | 81.8 Ų | 81.8 | 38% | 0.38 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 179.3 | -67 | -19 | 0 | 0 | 0 | 111.2 | K694 R695 L701 K702 | K694-D698 PolarHBondContact O-N 3.38Å; R695-D698 PolarHBondContact O-N 3.47Å; D698-L701 PolarHBondContact O-N 2.89Å; D698-K702 WeakPolarHBondContact O-CB 3.41Å; D698-K702 PolarHBondContact O-N 2.79Å |
| 699 | E | 85.9 | Confident | 78.1 | Confident | 16 Ų | 16 | 81 Ų | 81 | 8% | 0.075 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 172.3 | -76.9 | 177.2 | -165.6 | 0 | 0 | 111.5 | L538 L542 R545 R695 K702 A703 W749 | L538-E699 HydrophobicContact CD1-CG 3.88Å; L542-E699 WeakPolarHBondContact CD1-O 3.18Å; L542-E699 HydrophobicContact CD2-CB 4Å; L542-E699 HydrophobicContact CD2-CG 4.06Å; R545-E699 IonicContact CZ-OE2 3.71Å; R545-E699 IonicContact NH1-OE2 3.17Å; R545-E699 PolarHBondContact NH1-OE2 3.46Å; R545-E699 IonicContact NH2-OE2 3.37Å; R545-E699 PolarHBondContact NH2-OE2 3.49Å; R695-E699 HydrophobicContact CG-CG 4.36Å; R695-E699 WeakPolarHBondContact CG-OE1 3.37Å; R695-E699 IonicContact CZ-OE1 2.64Å; R695-E699 IonicContact NE-OE1 2.72Å; R695-E699 PolarHBondContact NE-OE1 3.3Å; R695-E699 IonicContact NH2-OE1 3.63Å; R695-E699 WeakPolarHBondContact O-CB 3.25Å; R695-E699 VanDerWaalsContact O-CG 3.31Å; R695-E699 WeakPolarHBondContact O-CG 3.26Å; R695-E699 PolarHBondContact O-N 3.33Å; E699-K702 PolarHBondContact O-N 3.12Å; E699-A703 VanDerWaalsContact O-CB 3.27Å; E699-A703 WeakPolarHBondContact O-CB 3.28Å; E699-A703 PolarHBondContact O-N 3.27Å; E699-W749 HydrophobicContact CB-CZ3 4.43Å |
| 700 | R | 85.5 | Confident | 80.2 | Confident | 111 Ų | 111 | 76 Ų | 76 | 42% | 0.419 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 177.6 | -171.4 | 176.5 | 177.3 | 104.6 | -6.8 | 112 | E696 R697 N704 S785 L843 Y844 A845 | E696-R700 WeakPolarHBondContact O-CB 3.31Å; E696-R700 PolarHBondContact O-N 3.4Å; R697-R700 PolarHBondContact O-N 3.04Å; R700-N704 PolarHBondContact O-N 2.81Å; R700-S785 PolarHBondContact NH2-OG 3.04Å; R700-L843 PolarHBondContact NH2-O 2.89Å; R700-Y844 HydrophobicContact CG-CD1 4.04Å; R700-Y844 HydrophobicContact CG-CE1 4.14Å; R700-A845 PolarHBondContact NH2-OXT 2.78Å |
| 701 | L | 87.6 | Confident | 82.3 | Confident | 100 Ų | 100 | 72 Ų | 72 | 52% | 0.524 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 175.9 | -75 | 172.7 | 0 | 0 | 0 | 111.4 | R697 D698 N704 E705 | R697-L701 HydrophobicContact CG-CD1 4.19Å; R697-L701 WeakPolarHBondContact O-CB 3.29Å; R697-L701 VanDerWaalsContact O-CG 3.28Å; R697-L701 WeakPolarHBondContact O-CG 3.47Å; R697-L701 PolarHBondContact O-N 3.32Å; D698-L701 PolarHBondContact O-N 2.89Å; L701-N704 PolarHBondContact O-N 3.33Å; L701-E705 PolarHBondContact O-N 3.27Å |
| 702 | K | 88.6 | Confident | 84.1 | Confident | 18 Ų | 18 | 69.1 Ų | 69.1 | 8% | 0.078 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.5 | -37.8 | 178.1 | -171 | 70.2 | -168 | 171.4 | 0 | 112 | S535 L538 L542 D698 E699 N704 E705 L706 | S535-K702 WeakPolarHBondContact OG-CE 3.36Å; S535-K702 PolarHBondContact OG-NZ 3.44Å; L538-K702 HydrophobicContact CD2-CB 3.71Å; L538-K702 HydrophobicContact CD2-CG 3.87Å; L538-K702 HydrophobicContact CG-CB 4.19Å; L538-K702 HydrophobicContact CG-CG 4.02Å; L542-K702 HydrophobicContact CD1-CB 3.75Å; L542-K702 HydrophobicContact CD1-CG 3.87Å; D698-K702 WeakPolarHBondContact O-CB 3.41Å; D698-K702 PolarHBondContact O-N 2.79Å; E699-K702 PolarHBondContact O-N 3.12Å; K702-N704 VanDerWaalsContact C-N 3.34Å; K702-N704 PolarHBondContact O-N 2.84Å; K702-E705 WeakPolarHBondContact CD-OE2 3.38Å; K702-E705 IonicContact NZ-OE1 4Å; K702-E705 PolarHBondContact NZ-OE1 3.2Å; K702-E705 IonicContact NZ-OE2 2.61Å; K702-E705 PolarHBondContact NZ-OE2 2.99Å; K702-E705 WeakPolarHBondContact O-CB 3.4Å; K702-E705 PolarHBondContact O-N 3.31Å; K702-L706 WeakPolarHBondContact O-CG 3.4Å; K702-L706 PolarHBondContact O-N 3.24Å |
| 703 | A | 88 | Confident | 85.6 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L542 E699 A707 Q744 W749 P750 Y844 | L542-A703 HydrophobicContact CD1-CB 4.31Å; E699-A703 VanDerWaalsContact O-CB 3.27Å; E699-A703 WeakPolarHBondContact O-CB 3.28Å; E699-A703 PolarHBondContact O-N 3.27Å; A703-A707 WeakPolarHBondContact O-CB 3.4Å; A703-A707 PolarHBondContact O-N 3.02Å; A703-Q744 PolarHBondContact O-NE2 3.02Å; A703-W749 HydrophobicContact CB-CE3 4.38Å; A703-W749 HydrophobicContact CB-CZ3 4.38Å; A703-P750 HydrophobicContact CB-CG 4.47Å; A703-Y844 HydrophobicContact CB-CE1 4.11Å; A703-Y844 VanDerWaalsContact CB-OH 3.31Å; A703-Y844 WeakPolarHBondContact CB-OH 3.48Å |
| 704 | N | 90.7 | Very high | 86.6 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 173.3 | -170.3 | 15.4 | 0 | 0 | 0 | 111.9 | R700 L701 K702 L706 A707 I708 R840 Y844 | R700-N704 PolarHBondContact O-N 2.81Å; L701-N704 PolarHBondContact O-N 3.33Å; K702-N704 VanDerWaalsContact C-N 3.34Å; K702-N704 PolarHBondContact O-N 2.84Å; N704-L706 PolarHBondContact O-N 3.03Å; N704-A707 WeakPolarHBondContact O-CB 3.45Å; N704-A707 PolarHBondContact O-N 3.14Å; N704-I708 VanDerWaalsContact O-CG1 3.28Å; N704-I708 WeakPolarHBondContact O-CG1 3.43Å; N704-I708 PolarHBondContact O-N 3.32Å; N704-R840 PolarHBondContact OD1-NH1 2.83Å; N704-Y844 HydrophobicContact CB-CD1 3.68Å; N704-Y844 HydrophobicContact CB-CD2 3.87Å; N704-Y844 HydrophobicContact CB-CE1 3.99Å; N704-Y844 HydrophobicContact CB-CE2 4.16Å; N704-Y844 HydrophobicContact CB-CG 3.63Å; N704-Y844 WeakPolarHBondContact OD1-CD2 3.37Å |
| 705 | E | 90.5 | Very high | 87.2 | Confident | 80 Ų | 80 | 63 Ų | 63 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58 | -47.5 | 175.2 | -170 | -160.7 | 138 | 0 | 0 | 111.4 | L701 K702 A707 I708 Q709 | L701-E705 PolarHBondContact O-N 3.27Å; K702-E705 WeakPolarHBondContact CD-OE2 3.38Å; K702-E705 IonicContact NZ-OE1 4Å; K702-E705 PolarHBondContact NZ-OE1 3.2Å; K702-E705 IonicContact NZ-OE2 2.61Å; K702-E705 PolarHBondContact NZ-OE2 2.99Å; K702-E705 WeakPolarHBondContact O-CB 3.4Å; K702-E705 PolarHBondContact O-N 3.31Å; E705-A707 VanDerWaalsContact C-N 3.34Å; E705-A707 PolarHBondContact O-N 2.93Å; E705-I708 PolarHBondContact O-N 2.97Å; E705-Q709 WeakPolarHBondContact O-CG 3.38Å; E705-Q709 PolarHBondContact O-N 3.12Å; E705-Q709 PolarHBondContact OE1-NE2 3Å |
| 706 | L | 89.7 | Confident | 87.7 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 175.8 | -69.3 | 171.2 | 0 | 0 | 0 | 111.6 | L543 K702 N704 I708 Q709 V710 P750 | L543-L706 HydrophobicContact CG-CD1 4.46Å; K702-L706 WeakPolarHBondContact O-CG 3.4Å; K702-L706 PolarHBondContact O-N 3.24Å; N704-L706 PolarHBondContact O-N 3.03Å; L706-I708 VanDerWaalsContact C-N 3.3Å; L706-I708 PolarHBondContact O-N 3.05Å; L706-Q709 WeakPolarHBondContact O-CB 3.31Å; L706-Q709 PolarHBondContact O-N 3.47Å; L706-V710 WeakPolarHBondContact O-CG2 3.23Å; L706-V710 PolarHBondContact O-N 3.35Å; L706-P750 HydrophobicContact CB-CB 4.25Å; L706-P750 HydrophobicContact CD1-CB 4.14Å; L706-P750 HydrophobicContact CD1-CG 3.79Å |
| 707 | A | 89.2 | Confident | 88.1 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A703 N704 E705 V710 E711 R840 Y844 | A703-A707 WeakPolarHBondContact O-CB 3.4Å; A703-A707 PolarHBondContact O-N 3.02Å; N704-A707 WeakPolarHBondContact O-CB 3.45Å; N704-A707 PolarHBondContact O-N 3.14Å; E705-A707 VanDerWaalsContact C-N 3.34Å; E705-A707 PolarHBondContact O-N 2.93Å; A707-V710 PolarHBondContact O-N 3.24Å; A707-E711 WeakPolarHBondContact O-CB 3.35Å; A707-E711 PolarHBondContact O-N 3.31Å; A707-R840 HydrophobicContact CB-CG 3.76Å; A707-Y844 HydrophobicContact CB-CD2 4.5Å; A707-Y844 HydrophobicContact CB-CE2 3.85Å |
| 708 | I | 91.1 | Very high | 88.1 | Confident | 63 Ų | 63 | 52.5 Ų | 52.5 | 32% | 0.323 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67 | -39 | 176.6 | -69.3 | 164.2 | 0 | 0 | 0 | 110.5 | N704 E705 L706 V710 E711 M712 | N704-I708 VanDerWaalsContact O-CG1 3.28Å; N704-I708 WeakPolarHBondContact O-CG1 3.43Å; N704-I708 PolarHBondContact O-N 3.32Å; E705-I708 PolarHBondContact O-N 2.97Å; L706-I708 VanDerWaalsContact C-N 3.3Å; L706-I708 PolarHBondContact O-N 3.05Å; I708-V710 VanDerWaalsContact C-N 3.34Å; I708-V710 PolarHBondContact O-N 3.39Å; I708-E711 PolarHBondContact O-N 2.99Å; I708-M712 HydrophobicContact CG2-CE 4.4Å; I708-M712 HydrophobicContact CG2-CG 4.41Å; I708-M712 WeakPolarHBondContact O-CB 3.35Å; I708-M712 VanDerWaalsContact O-CG 3.31Å; I708-M712 WeakPolarHBondContact O-CG 3.42Å; I708-M712 PolarHBondContact O-N 2.83Å |
| 709 | Q | 90.2 | Very high | 88.1 | Confident | 83 Ų | 83 | 52 Ų | 52 | 39% | 0.388 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 175.3 | -69.5 | 176.2 | 12.5 | 0 | 0 | 111.6 | E705 L706 M712 Q713 | E705-Q709 WeakPolarHBondContact O-CG 3.38Å; E705-Q709 PolarHBondContact O-N 3.12Å; E705-Q709 PolarHBondContact OE1-NE2 3Å; L706-Q709 WeakPolarHBondContact O-CB 3.31Å; L706-Q709 PolarHBondContact O-N 3.47Å; Q709-M712 HydrophobicContact CG-CE 4.41Å; Q709-M712 PolarHBondContact O-N 3.4Å; Q709-Q713 WeakPolarHBondContact O-CG 3.38Å; Q709-Q713 PolarHBondContact O-N 3.09Å |
| 710 | V | 90 | Very high | 87.7 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | L706 A707 I708 M712 Q713 L714 A737 C740 L741 | L706-V710 WeakPolarHBondContact O-CG2 3.23Å; L706-V710 PolarHBondContact O-N 3.35Å; A707-V710 PolarHBondContact O-N 3.24Å; I708-V710 VanDerWaalsContact C-N 3.34Å; I708-V710 PolarHBondContact O-N 3.39Å; V710-M712 VanDerWaalsContact C-N 3.31Å; V710-M712 PolarHBondContact O-N 2.92Å; V710-Q713 PolarHBondContact O-N 3.11Å; V710-L714 PolarHBondContact O-N 3.01Å; V710-A737 HydrophobicContact CG1-CB 3.96Å; V710-A737 WeakPolarHBondContact CG1-O 3.45Å; V710-C740 HydrophobicContact CG1-CB 4.29Å; V710-L741 HydrophobicContact CG1-CB 3.93Å; V710-L741 HydrophobicContact CG1-CD1 4.45Å |
| 711 | E | 90.4 | Very high | 86.9 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.5 | -43.4 | 173.1 | -175.4 | -166.6 | 128.8 | 0 | 0 | 111.1 | A707 I708 L714 K715 L741 I837 R840 | A707-E711 WeakPolarHBondContact O-CB 3.35Å; A707-E711 PolarHBondContact O-N 3.31Å; I708-E711 PolarHBondContact O-N 2.99Å; E711-L714 PolarHBondContact O-N 2.9Å; E711-K715 VanDerWaalsContact O-CB 3.31Å; E711-K715 WeakPolarHBondContact O-CB 3.45Å; E711-K715 PolarHBondContact O-N 3.34Å; E711-L741 HydrophobicContact CB-CD1 4.03Å; E711-I837 HydrophobicContact CG-CG1 3.91Å; E711-R840 IonicContact OE2-CZ 2.66Å; E711-R840 IonicContact OE2-NE 3.65Å; E711-R840 PolarHBondContact OE2-NE 3.43Å; E711-R840 IonicContact OE2-NH2 2.75Å; E711-R840 PolarHBondContact OE2-NH2 3.18Å |
| 712 | M | 90.3 | Very high | 85.8 | Confident | 106 Ų | 106 | 51.4 Ų | 51.4 | 52% | 0.522 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 178.1 | -74.7 | -169.4 | -55.5 | 0 | 0 | 111.8 | I708 Q709 V710 L714 K715 E716 | I708-M712 HydrophobicContact CG2-CE 4.4Å; I708-M712 HydrophobicContact CG2-CG 4.41Å; I708-M712 WeakPolarHBondContact O-CB 3.35Å; I708-M712 VanDerWaalsContact O-CG 3.31Å; I708-M712 WeakPolarHBondContact O-CG 3.42Å; I708-M712 PolarHBondContact O-N 2.83Å; Q709-M712 HydrophobicContact CG-CE 4.41Å; Q709-M712 PolarHBondContact O-N 3.4Å; V710-M712 VanDerWaalsContact C-N 3.31Å; V710-M712 PolarHBondContact O-N 2.92Å; M712-L714 VanDerWaalsContact C-N 3.34Å; M712-L714 PolarHBondContact O-N 3.25Å; M712-K715 PolarHBondContact O-N 3.41Å; M712-E716 VanDerWaalsContact O-CB 3.29Å; M712-E716 WeakPolarHBondContact O-CB 3.31Å; M712-E716 PolarHBondContact O-N 3.29Å |
| 713 | Q | 88.8 | Confident | 84.4 | Confident | 105 Ų | 105 | 56.6 Ų | 56.6 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 174.2 | -73.5 | -179.9 | -3.9 | 0 | 0 | 111.3 | Q709 V710 K715 E716 S717 A737 | Q709-Q713 WeakPolarHBondContact O-CG 3.38Å; Q709-Q713 PolarHBondContact O-N 3.09Å; V710-Q713 PolarHBondContact O-N 3.11Å; Q713-K715 PolarHBondContact O-N 3Å; Q713-E716 PolarHBondContact O-N 2.84Å; Q713-S717 WeakPolarHBondContact O-CB 3.41Å; Q713-S717 PolarHBondContact O-N 3.32Å; Q713-S717 PolarHBondContact O-OG 2.98Å; Q713-A737 HydrophobicContact CB-CB 4.26Å |
| 714 | L | 89.3 | Confident | 83 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 176 | -179.5 | 60.2 | 0 | 0 | 0 | 111.2 | V710 E711 M712 S717 V718 A734 A737 A738 I832 L833 | V710-L714 PolarHBondContact O-N 3.01Å; E711-L714 PolarHBondContact O-N 2.9Å; M712-L714 VanDerWaalsContact C-N 3.34Å; M712-L714 PolarHBondContact O-N 3.25Å; L714-S717 PolarHBondContact O-N 3.25Å; L714-V718 HydrophobicContact CD1-CG2 4.27Å; L714-V718 VanDerWaalsContact O-CG2 3.28Å; L714-V718 WeakPolarHBondContact O-CG2 3.42Å; L714-V718 PolarHBondContact O-N 2.98Å; L714-A734 HydrophobicContact CD1-CB 3.86Å; L714-A734 VanDerWaalsContact CD1-O 3.31Å; L714-A734 WeakPolarHBondContact CD1-O 3.44Å; L714-A737 HydrophobicContact CB-CB 3.94Å; L714-A738 HydrophobicContact CD1-CB 3.99Å; L714-A738 HydrophobicContact CD2-CB 4.26Å; L714-I832 HydrophobicContact CD1-CG2 4.4Å; L714-I832 HydrophobicContact CD2-CG2 4.35Å; L714-L833 HydrophobicContact CB-CD1 4.47Å; L714-L833 HydrophobicContact CD2-CD1 4.05Å; L714-L833 HydrophobicContact CG-CD1 3.88Å |
| 715 | K | 88.7 | Confident | 81.7 | Confident | 108 Ų | 108 | 67.7 Ų | 67.7 | 47% | 0.47 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | -179.9 | -174.3 | 178.3 | 179.3 | -178.5 | 0 | 112.1 | E711 M712 Q713 V718 C719 L833 | E711-K715 VanDerWaalsContact O-CB 3.31Å; E711-K715 WeakPolarHBondContact O-CB 3.45Å; E711-K715 PolarHBondContact O-N 3.34Å; M712-K715 PolarHBondContact O-N 3.41Å; Q713-K715 PolarHBondContact O-N 3Å; K715-V718 PolarHBondContact O-N 3.45Å; K715-C719 WeakPolarHBondContact O-CB 3.3Å; K715-C719 PolarHBondContact O-N 3.49Å; K715-C719 PolarHBondContact O-SG 2.94Å; K715-C719 VanDerWaalsContact O-SG 3.38Å; K715-L833 HydrophobicContact CB-CD1 3.94Å; K715-L833 HydrophobicContact CG-CD1 4.47Å; K715-L833 HydrophobicContact CG-CD2 4.4Å |
| 716 | E | 87 | Confident | 80.9 | Confident | 124 Ų | 124 | 67.9 Ų | 67.9 | 58% | 0.579 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.8 | -45.7 | 178.7 | -173.5 | 178.9 | 177.1 | 0 | 0 | 111 | M712 Q713 C719 N720 | M712-E716 VanDerWaalsContact O-CB 3.29Å; M712-E716 WeakPolarHBondContact O-CB 3.31Å; M712-E716 PolarHBondContact O-N 3.29Å; Q713-E716 PolarHBondContact O-N 2.84Å; E716-C719 PolarHBondContact O-N 3.38Å; E716-N720 WeakPolarHBondContact O-CB 3.05Å; E716-N720 VanDerWaalsContact O-CG 3.24Å; E716-N720 PolarHBondContact O-N 2.7Å; E716-N720 PolarHBondContact O-ND2 3.39Å |
| 717 | S | 84.6 | Confident | 80.3 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 11% | 0.105 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.6 | -50.4 | 175 | -67.6 | 0 | 0 | 0 | 0 | 111.6 | Q713 L714 C719 N720 A721 V730 T733 | Q713-S717 WeakPolarHBondContact O-CB 3.41Å; Q713-S717 PolarHBondContact O-N 3.32Å; Q713-S717 PolarHBondContact O-OG 2.98Å; L714-S717 PolarHBondContact O-N 3.25Å; S717-C719 VanDerWaalsContact C-N 3.32Å; S717-C719 PolarHBondContact O-N 3.49Å; S717-N720 PolarHBondContact O-N 2.95Å; S717-N720 VanDerWaalsContact O-N 3.14Å; S717-A721 PolarHBondContact O-N 3.42Å; S717-V730 WeakPolarHBondContact O-CG1 3.4Å; S717-T733 WeakPolarHBondContact OG-CB 3.46Å; S717-T733 PolarHBondContact OG-OG1 3.41Å |
| 718 | V | 82.8 | Confident | 79.8 | Confident | 11 Ų | 11 | 70.1 Ų | 70.1 | 7% | 0.067 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.4 | -35.1 | -179.6 | 176.1 | 0 | 0 | 0 | 0 | 112.4 | L714 K715 A721 A734 L829 K830 L833 | L714-V718 HydrophobicContact CD1-CG2 4.27Å; L714-V718 VanDerWaalsContact O-CG2 3.28Å; L714-V718 WeakPolarHBondContact O-CG2 3.42Å; L714-V718 PolarHBondContact O-N 2.98Å; K715-V718 PolarHBondContact O-N 3.45Å; V718-A721 VanDerWaalsContact O-CB 3.27Å; V718-A721 WeakPolarHBondContact O-CB 3.31Å; V718-A721 PolarHBondContact O-N 2.91Å; V718-A734 HydrophobicContact CG2-CB 4.38Å; V718-L829 HydrophobicContact CG2-CB 4.1Å; V718-K830 HydrophobicContact CG1-CG 4.24Å; V718-L833 HydrophobicContact CB-CD2 4.09Å; V718-L833 HydrophobicContact CG1-CD2 3.98Å; V718-L833 HydrophobicContact CG2-CB 4.38Å |
| 719 | C | 82.2 | Confident | 79.4 | Confident | 60 Ų | 60 | 73.6 Ų | 73.6 | 41% | 0.405 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 172.8 | -78 | 0 | 0 | 0 | 0 | 112 | K715 E716 S717 A721 K722 | K715-C719 WeakPolarHBondContact O-CB 3.3Å; K715-C719 PolarHBondContact O-N 3.49Å; K715-C719 PolarHBondContact O-SG 2.94Å; K715-C719 VanDerWaalsContact O-SG 3.38Å; E716-C719 PolarHBondContact O-N 3.38Å; S717-C719 VanDerWaalsContact C-N 3.32Å; S717-C719 PolarHBondContact O-N 3.49Å; C719-A721 PolarHBondContact O-N 3.16Å; C719-K722 WeakPolarHBondContact O-CB 3.34Å; C719-K722 PolarHBondContact O-N 2.76Å; C719-K722 VanDerWaalsContact O-N 3.15Å |
| 720 | N | 76.4 | Confident | 79.1 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 27% | 0.267 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.5 | -24 | 178.2 | -75.9 | -21.7 | 0 | 0 | 0 | 113.1 | E716 S717 K722 I723 N724 V730 | E716-N720 WeakPolarHBondContact O-CB 3.05Å; E716-N720 VanDerWaalsContact O-CG 3.24Å; E716-N720 PolarHBondContact O-N 2.7Å; E716-N720 PolarHBondContact O-ND2 3.39Å; S717-N720 PolarHBondContact O-N 2.95Å; S717-N720 VanDerWaalsContact O-N 3.14Å; N720-K722 PolarHBondContact O-N 3.37Å; N720-K722 VanDerWaalsContact O-N 3.08Å; N720-I723 PolarHBondContact O-N 2.93Å; N720-N724 PolarHBondContact O-N 2.98Å; N720-V730 HydrophobicContact CB-CG2 4.33Å |
| 721 | A | 68.3 | Low | 78.8 | Confident | 10 Ų | 10 | 69 Ų | 69 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -26.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113 | S717 V718 C719 V730 Q826 | S717-A721 PolarHBondContact O-N 3.42Å; V718-A721 VanDerWaalsContact O-CB 3.27Å; V718-A721 WeakPolarHBondContact O-CB 3.31Å; V718-A721 PolarHBondContact O-N 2.91Å; C719-A721 PolarHBondContact O-N 3.16Å; A721-V730 HydrophobicContact CB-CG1 3.64Å; A721-Q826 PolarHBondContact O-NE2 3.42Å |
| 722 | K | 64.3 | Low | 78.6 | Confident | 154 Ų | 154 | 70.6 Ų | 70.6 | 67% | 0.67 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -19.8 | 178.8 | -63.4 | -178.1 | 177.6 | -179.8 | 0 | 113.8 | C719 N720 | C719-K722 WeakPolarHBondContact O-CB 3.34Å; C719-K722 PolarHBondContact O-N 2.76Å; C719-K722 VanDerWaalsContact O-N 3.15Å; N720-K722 PolarHBondContact O-N 3.37Å; N720-K722 VanDerWaalsContact O-N 3.08Å |
| 723 | I | 60.1 | Low | 78.4 | Confident | 128 Ų | 128 | 68.3 Ų | 68.3 | 66% | 0.656 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | -39.9 | -166 | -57.9 | 167.5 | 0 | 0 | 0 | 111.1 | N720 | N720-I723 PolarHBondContact O-N 2.93Š|
| 724 | N | 58.9 | Low | 78.3 | Confident | 89 Ų | 89 | 63.3 Ų | 63.3 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | trans | -102.1 | 138.9 | -172.2 | -73.3 | -25.2 | 0 | 0 | 0 | 112.1 | N720 D726 | N720-N724 PolarHBondContact O-N 2.98Å; N724-D726 PolarHBondContact O-N 3.15Å | ||
| 725 | N | 62 | Low | 78.3 | Confident | 178 Ų | 178 | 63.4 Ų | 63.4 | 95% | 0.952 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -71 | -8 | 176.1 | -82.2 | -3.3 | 0 | 0 | 0 | 114.5 | L727 | N725-L727 PolarHBondContact O-N 3.34Š|
| 726 | D | 73.8 | Confident | 78.5 | Confident | 83 Ų | 83 | 60.5 Ų | 60.5 | 44% | 0.444 | 32% | 0.316 | S | S | . | . | trans | -93.8 | 71.5 | 179.8 | -168 | -1.3 | 0 | 0 | 0 | 111.4 | N724 L728 K729 V730 | N724-D726 PolarHBondContact O-N 3.15Å; D726-L728 PolarHBondContact O-N 3.36Å; D726-L728 PolarHBondContact OD1-N 3.35Å; D726-K729 HydrophobicContact CB-CB 4.36Å; D726-K729 PolarHBondContact O-N 3.5Å; D726-K729 PolarHBondContact OD1-N 3.14Å; D726-K729 VanDerWaalsContact OD2-CB 3.31Å; D726-K729 WeakPolarHBondContact OD2-CB 3.36Å; D726-V730 PolarHBondContact O-N 2.87Å | ||
| 727 | L | 77.2 | Confident | 78.6 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.9 | -29.1 | 177.1 | -175.8 | 62.3 | 0 | 0 | 0 | 111.9 | N725 V730 A731 E822 | N725-L727 PolarHBondContact O-N 3.34Å; L727-V730 PolarHBondContact O-N 3.01Å; L727-A731 WeakPolarHBondContact O-CB 3.44Å; L727-A731 PolarHBondContact O-N 2.96Å; L727-E822 HydrophobicContact CD2-CB 3.93Å; L727-E822 HydrophobicContact CD2-CG 3.83Å |
| 728 | L | 80.3 | Confident | 78.9 | Confident | 48 Ų | 48 | 53.9 Ų | 53.9 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.2 | -47 | 179.7 | 179.6 | 64.1 | 0 | 0 | 0 | 111.6 | D726 V730 A731 T732 I809 K812 V813 | D726-L728 PolarHBondContact O-N 3.36Å; D726-L728 PolarHBondContact OD1-N 3.35Å; L728-V730 VanDerWaalsContact C-N 3.31Å; L728-V730 PolarHBondContact O-N 3.35Å; L728-A731 PolarHBondContact O-N 2.73Å; L728-T732 HydrophobicContact CD1-CG2 4.31Å; L728-T732 WeakPolarHBondContact O-CB 3.41Å; L728-T732 VanDerWaalsContact O-CG2 3.26Å; L728-T732 WeakPolarHBondContact O-CG2 3.39Å; L728-T732 PolarHBondContact O-N 2.87Å; L728-T732 PolarHBondContact O-OG1 2.97Å; L728-I809 HydrophobicContact CD1-CG1 4.45Å; L728-I809 HydrophobicContact CD1-CG2 4.19Å; L728-K812 HydrophobicContact CD1-CB 4.3Å; L728-K812 HydrophobicContact CD1-CG 4.38Å; L728-V813 HydrophobicContact CD1-CG2 4.31Å; L728-V813 HydrophobicContact CD2-CG2 4.47Å |
| 729 | K | 81.6 | Confident | 79.3 | Confident | 137 Ų | 137 | 53.4 Ų | 53.4 | 60% | 0.596 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.8 | -37.7 | 176.6 | -173.6 | 177.6 | -178.8 | -179.1 | 0 | 112.2 | D726 T732 T733 | D726-K729 HydrophobicContact CB-CB 4.36Å; D726-K729 PolarHBondContact O-N 3.5Å; D726-K729 PolarHBondContact OD1-N 3.14Å; D726-K729 VanDerWaalsContact OD2-CB 3.31Å; D726-K729 WeakPolarHBondContact OD2-CB 3.36Å; K729-T732 VanDerWaalsContact CA-OG1 3.31Å; K729-T732 WeakPolarHBondContact CA-OG1 3.43Å; K729-T732 PolarHBondContact O-OG1 3Å; K729-T733 WeakPolarHBondContact O-CG2 3.42Å; K729-T733 PolarHBondContact O-N 2.73Å; K729-T733 PolarHBondContact O-OG1 2.6Å |
| 730 | V | 83.7 | Confident | 79.8 | Confident | 9 Ų | 9 | 50.7 Ų | 50.7 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.1 | -47.6 | 175.9 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | S717 N720 A721 D726 L727 L728 T733 A734 | S717-V730 WeakPolarHBondContact O-CG1 3.4Å; N720-V730 HydrophobicContact CB-CG2 4.33Å; A721-V730 HydrophobicContact CB-CG1 3.64Å; D726-V730 PolarHBondContact O-N 2.87Å; L727-V730 PolarHBondContact O-N 3.01Å; L728-V730 VanDerWaalsContact C-N 3.31Å; L728-V730 PolarHBondContact O-N 3.35Å; V730-T733 PolarHBondContact O-N 2.91Å; V730-T733 PolarHBondContact O-OG1 3.21Å; V730-A734 VanDerWaalsContact O-CB 3.22Å; V730-A734 WeakPolarHBondContact O-CB 3.45Å; V730-A734 PolarHBondContact O-N 3.01Å |
| 731 | A | 83.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.9 | -47.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L727 L728 T733 A734 T735 V805 I809 | L727-A731 WeakPolarHBondContact O-CB 3.44Å; L727-A731 PolarHBondContact O-N 2.96Å; L728-A731 PolarHBondContact O-N 2.73Å; A731-T733 PolarHBondContact O-N 3.37Å; A731-A734 PolarHBondContact O-N 3.44Å; A731-T735 WeakPolarHBondContact O-CB 3.35Å; A731-T735 PolarHBondContact O-N 3.4Å; A731-T735 PolarHBondContact O-OG1 2.97Å; A731-V805 HydrophobicContact CB-CG1 4.18Å; A731-I809 HydrophobicContact CB-CD1 4.03Å; A731-I809 HydrophobicContact CB-CG1 3.96Å |
| 732 | T | 86.1 | Confident | 81.6 | Confident | 55 Ų | 55 | 48 Ų | 48 | 34% | 0.337 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.9 | -44.4 | 179.7 | 47.8 | 0 | 0 | 0 | 0 | 113.5 | L728 K729 L736 I809 | L728-T732 HydrophobicContact CD1-CG2 4.31Å; L728-T732 WeakPolarHBondContact O-CB 3.41Å; L728-T732 VanDerWaalsContact O-CG2 3.26Å; L728-T732 WeakPolarHBondContact O-CG2 3.39Å; L728-T732 PolarHBondContact O-N 2.87Å; L728-T732 PolarHBondContact O-OG1 2.97Å; K729-T732 VanDerWaalsContact CA-OG1 3.31Å; K729-T732 WeakPolarHBondContact CA-OG1 3.43Å; K729-T732 PolarHBondContact O-OG1 3Å; T732-L736 WeakPolarHBondContact O-CB 3.36Å; T732-L736 PolarHBondContact O-N 3.49Å; T732-I809 HydrophobicContact CG2-CD1 4.09Å; T732-I809 HydrophobicContact CG2-CG1 4.19Å; T732-I809 HydrophobicContact CG2-CG2 3.62Å |
| 733 | T | 86.8 | Confident | 82.8 | Confident | 59 Ų | 59 | 40.6 Ų | 40.6 | 36% | 0.362 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.5 | -42 | 177.4 | 51.4 | 0 | 0 | 0 | 0 | 112.2 | S717 K729 V730 A731 L736 A737 | S717-T733 WeakPolarHBondContact OG-CB 3.46Å; S717-T733 PolarHBondContact OG-OG1 3.41Å; K729-T733 WeakPolarHBondContact O-CG2 3.42Å; K729-T733 PolarHBondContact O-N 2.73Å; K729-T733 PolarHBondContact O-OG1 2.6Å; V730-T733 PolarHBondContact O-N 2.91Å; V730-T733 PolarHBondContact O-OG1 3.21Å; A731-T733 PolarHBondContact O-N 3.37Å; T733-L736 PolarHBondContact O-N 2.9Å; T733-A737 WeakPolarHBondContact O-CB 3.43Å; T733-A737 PolarHBondContact O-N 3.21Å |
| 734 | A | 87.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L714 V718 V730 A731 L736 A737 A738 L829 | L714-A734 HydrophobicContact CD1-CB 3.86Å; L714-A734 VanDerWaalsContact CD1-O 3.31Å; L714-A734 WeakPolarHBondContact CD1-O 3.44Å; V718-A734 HydrophobicContact CG2-CB 4.38Å; V730-A734 VanDerWaalsContact O-CB 3.22Å; V730-A734 WeakPolarHBondContact O-CB 3.45Å; V730-A734 PolarHBondContact O-N 3.01Å; A731-A734 PolarHBondContact O-N 3.44Å; A734-L736 VanDerWaalsContact C-N 3.35Å; A734-L736 PolarHBondContact O-N 3.39Å; A734-A737 PolarHBondContact O-N 2.92Å; A734-A738 WeakPolarHBondContact O-CB 3.41Å; A734-A738 PolarHBondContact O-N 3.4Å; A734-L829 HydrophobicContact CB-CD2 3.65Å |
| 735 | T | 89.3 | Confident | 85.6 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 178 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | A731 T739 V758 I762 L802 V805 A806 I809 | A731-T735 WeakPolarHBondContact O-CB 3.35Å; A731-T735 PolarHBondContact O-N 3.4Å; A731-T735 PolarHBondContact O-OG1 2.97Å; T735-T739 WeakPolarHBondContact O-CB 3.27Å; T735-T739 PolarHBondContact O-N 3.08Å; T735-T739 PolarHBondContact O-OG1 3.06Å; T735-V758 HydrophobicContact CG2-CG1 3.82Å; T735-I762 HydrophobicContact CG2-CD1 4.22Å; T735-L802 HydrophobicContact CG2-CD1 3.84Å; T735-V805 VanDerWaalsContact OG1-CG1 3.24Å; T735-V805 WeakPolarHBondContact OG1-CG1 3.28Å; T735-A806 HydrophobicContact CG2-CB 4.23Å; T735-I809 HydrophobicContact CG2-CD1 4.36Å; T735-I809 WeakPolarHBondContact OG1-CD1 3.4Å |
| 736 | L | 91.7 | Very high | 86.8 | Confident | 47 Ų | 47 | 22 Ų | 22 | 25% | 0.246 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.8 | -49.2 | 175.8 | -179.6 | 146 | 0 | 0 | 0 | 111.9 | T732 T733 A734 T739 C740 A753 V758 | T732-L736 WeakPolarHBondContact O-CB 3.36Å; T732-L736 PolarHBondContact O-N 3.49Å; T733-L736 PolarHBondContact O-N 2.9Å; A734-L736 VanDerWaalsContact C-N 3.35Å; A734-L736 PolarHBondContact O-N 3.39Å; L736-T739 PolarHBondContact O-N 3.08Å; L736-C740 PolarHBondContact O-N 2.97Å; L736-C740 PolarHBondContact O-SG 2.79Å; L736-A753 WeakPolarHBondContact CD1-O 3.28Å; L736-V758 HydrophobicContact CB-CG2 4.2Å; L736-V758 HydrophobicContact CD1-CG2 4.34Å; L736-V758 HydrophobicContact CG-CG2 4.29Å |
| 737 | A | 90.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.8 | -46 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V710 Q713 L714 T733 A734 T739 C740 L741 | V710-A737 HydrophobicContact CG1-CB 3.96Å; V710-A737 WeakPolarHBondContact CG1-O 3.45Å; Q713-A737 HydrophobicContact CB-CB 4.26Å; L714-A737 HydrophobicContact CB-CB 3.94Å; T733-A737 WeakPolarHBondContact O-CB 3.43Å; T733-A737 PolarHBondContact O-N 3.21Å; A734-A737 PolarHBondContact O-N 2.92Å; A737-T739 PolarHBondContact O-N 2.75Å; A737-C740 PolarHBondContact O-N 3.36Å; A737-L741 WeakPolarHBondContact O-CB 3.32Å; A737-L741 PolarHBondContact O-N 3.35Å |
| 738 | A | 90.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L714 A734 C740 L741 F742 L802 I832 | L714-A738 HydrophobicContact CD1-CB 3.99Å; L714-A738 HydrophobicContact CD2-CB 4.26Å; A734-A738 WeakPolarHBondContact O-CB 3.41Å; A734-A738 PolarHBondContact O-N 3.4Å; A738-C740 VanDerWaalsContact C-N 3.33Å; A738-C740 PolarHBondContact O-N 3.45Å; A738-L741 PolarHBondContact O-N 2.86Å; A738-F742 HydrophobicContact CB-CD2 4.33Å; A738-F742 HydrophobicContact CB-CE2 3.96Å; A738-F742 WeakPolarHBondContact O-CD2 3.33Å; A738-F742 WeakPolarHBondContact O-CG 3.47Å; A738-F742 PolarHBondContact O-N 3.35Å; A738-L802 HydrophobicContact CB-CD1 3.79Å; A738-I832 HydrophobicContact CB-CG2 3.41Å; A738-I832 VanDerWaalsContact CB-CG2 3.41Å |
| 739 | T | 91.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 179.3 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | T735 L736 A737 A743 V758 L761 I762 L765 | T735-T739 WeakPolarHBondContact O-CB 3.27Å; T735-T739 PolarHBondContact O-N 3.08Å; T735-T739 PolarHBondContact O-OG1 3.06Å; L736-T739 PolarHBondContact O-N 3.08Å; A737-T739 PolarHBondContact O-N 2.75Å; T739-A743 VanDerWaalsContact O-CB 3.31Å; T739-A743 WeakPolarHBondContact O-CB 3.37Å; T739-A743 PolarHBondContact O-N 2.97Å; T739-V758 HydrophobicContact CG2-CG1 4.25Å; T739-L761 HydrophobicContact CG2-CB 3.82Å; T739-L761 HydrophobicContact CG2-CD2 3.45Å; T739-L761 VanDerWaalsContact CG2-CD2 3.45Å; T739-L761 HydrophobicContact CG2-CG 4.21Å; T739-I762 HydrophobicContact CG2-CG1 3.97Å; T739-L765 HydrophobicContact CG2-CD1 4.09Å |
| 740 | C | 92 | Very high | 88.3 | Confident | 4 Ų | 4 | 13.9 Ų | 13.9 | 3% | 0.027 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.9 | -42.2 | 175.3 | -66.2 | 0 | 0 | 0 | 0 | 112.4 | V710 L736 A737 A738 A743 Q744 V751 | V710-C740 HydrophobicContact CG1-CB 4.29Å; L736-C740 PolarHBondContact O-N 2.97Å; L736-C740 PolarHBondContact O-SG 2.79Å; A737-C740 PolarHBondContact O-N 3.36Å; A738-C740 VanDerWaalsContact C-N 3.33Å; A738-C740 PolarHBondContact O-N 3.45Å; C740-A743 PolarHBondContact O-N 3.4Å; C740-Q744 PolarHBondContact O-N 2.96Å; C740-V751 WeakPolarHBondContact CB-O 3.45Å |
| 741 | L | 91.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.2 | -41.1 | 179.7 | -171.8 | 147.1 | 0 | 0 | 0 | 111.6 | V710 E711 A737 A738 Q744 I745 | V710-L741 HydrophobicContact CG1-CB 3.93Å; V710-L741 HydrophobicContact CG1-CD1 4.45Å; E711-L741 HydrophobicContact CB-CD1 4.03Å; A737-L741 WeakPolarHBondContact O-CB 3.32Å; A737-L741 PolarHBondContact O-N 3.35Å; A738-L741 PolarHBondContact O-N 2.86Å; L741-Q744 WeakPolarHBondContact O-CB 2.99Å; L741-Q744 PolarHBondContact O-N 3.13Å; L741-I745 HydrophobicContact CD2-CD1 3.48Å; L741-I745 VanDerWaalsContact CD2-CD1 3.48Å; L741-I745 HydrophobicContact CD2-CG1 4.5Å; L741-I745 WeakPolarHBondContact O-CD1 3.48Å; L741-I745 WeakPolarHBondContact O-CG1 3.28Å; L741-I745 PolarHBondContact O-N 3.31Å |
| 742 | F | 91.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -70.6 | -37.2 | 175.1 | -62.7 | -45 | 0 | 0 | 0 | 112.5 | A738 Q744 I745 I746 L765 L793 V798 L802 I832 | A738-F742 HydrophobicContact CB-CD2 4.33Å; A738-F742 HydrophobicContact CB-CE2 3.96Å; A738-F742 WeakPolarHBondContact O-CD2 3.33Å; A738-F742 WeakPolarHBondContact O-CG 3.47Å; A738-F742 PolarHBondContact O-N 3.35Å; F742-Q744 PolarHBondContact O-N 2.85Å; F742-I745 HydrophobicContact CD1-CD1 3.79Å; F742-I745 HydrophobicContact CE1-CD1 4.37Å; F742-I745 PolarHBondContact O-N 3.49Å; F742-I745 VanDerWaalsContact O-N 3.14Å; F742-I746 WeakPolarHBondContact O-CG1 3.44Å; F742-I746 PolarHBondContact O-N 2.89Å; F742-L765 HydrophobicContact CB-CD1 4.07Å; F742-L765 HydrophobicContact CB-CD2 4.33Å; F742-L793 HydrophobicContact CD1-CD1 3.47Å; F742-L793 VanDerWaalsContact CD1-CD1 3.47Å; F742-L793 HydrophobicContact CE1-CD1 3.73Å; F742-L793 HydrophobicContact CG-CD1 4.13Å; F742-V798 HydrophobicContact CE1-CG1 4.28Å; F742-V798 HydrophobicContact CE2-CG1 3.71Å; F742-V798 HydrophobicContact CZ-CG1 3.43Å; F742-V798 VanDerWaalsContact CZ-CG1 3.43Å; F742-L802 HydrophobicContact CD2-CD2 3.95Å; F742-L802 HydrophobicContact CE2-CD2 4.39Å; F742-I832 HydrophobicContact CE2-CG2 3.93Å; F742-I832 HydrophobicContact CZ-CG2 4.06Å |
| 743 | A | 90.1 | Very high | 89 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.1 | -39.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T739 C740 I746 N747 V751 L761 W764 L765 | T739-A743 VanDerWaalsContact O-CB 3.31Å; T739-A743 WeakPolarHBondContact O-CB 3.37Å; T739-A743 PolarHBondContact O-N 2.97Å; C740-A743 PolarHBondContact O-N 3.4Å; A743-I746 PolarHBondContact O-N 3.39Å; A743-N747 WeakPolarHBondContact O-CB 3.2Å; A743-N747 PolarHBondContact O-N 2.89Å; A743-V751 HydrophobicContact CB-CB 3.96Å; A743-V751 HydrophobicContact CB-CG1 4.31Å; A743-V751 HydrophobicContact CB-CG2 4.01Å; A743-L761 HydrophobicContact CB-CD2 3.76Å; A743-W764 HydrophobicContact CB-CZ3 4.03Å; A743-L765 HydrophobicContact CB-CD2 3.96Å |
| 744 | Q | 90.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 10.6 Ų | 10.6 | 1% | 0.014 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 173.9 | 177.5 | 168.1 | 9 | 0 | 0 | 113.4 | A703 C740 L741 F742 I746 G748 W749 P750 L843 Y844 | A703-Q744 PolarHBondContact O-NE2 3.02Å; C740-Q744 PolarHBondContact O-N 2.96Å; L741-Q744 WeakPolarHBondContact O-CB 2.99Å; L741-Q744 PolarHBondContact O-N 3.13Å; F742-Q744 PolarHBondContact O-N 2.85Å; Q744-I746 VanDerWaalsContact C-N 3.32Å; Q744-G748 CarbonylContact O-C 3.56Å; Q744-G748 VanDerWaalsContact O-CA 3.23Å; Q744-G748 WeakPolarHBondContact O-CA 3.36Å; Q744-G748 PolarHBondContact O-N 3.29Å; Q744-W749 VanDerWaalsContact CA-O 3.31Å; Q744-W749 WeakPolarHBondContact CA-O 3.38Å; Q744-P750 HydrophobicContact CG-CB 4.45Å; Q744-L843 HydrophobicContact CG-CD2 4.3Å; Q744-Y844 PolarHBondContact NE2-OH 2.89Å |
| 745 | I | 86.6 | Confident | 88.8 | Confident | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.5 | -38.9 | 176.4 | -68.5 | 153.4 | 0 | 0 | 0 | 111.1 | L741 F742 H786 A789 L793 C839 L843 | L741-I745 HydrophobicContact CD2-CD1 3.48Å; L741-I745 VanDerWaalsContact CD2-CD1 3.48Å; L741-I745 HydrophobicContact CD2-CG1 4.5Å; L741-I745 WeakPolarHBondContact O-CD1 3.48Å; L741-I745 WeakPolarHBondContact O-CG1 3.28Å; L741-I745 PolarHBondContact O-N 3.31Å; F742-I745 HydrophobicContact CD1-CD1 3.79Å; F742-I745 HydrophobicContact CE1-CD1 4.37Å; F742-I745 PolarHBondContact O-N 3.49Å; F742-I745 VanDerWaalsContact O-N 3.14Å; I745-H786 PolarHBondContact O-NE2 3.24Å; I745-A789 HydrophobicContact CG2-CB 4.05Å; I745-L793 HydrophobicContact CG2-CD2 4.18Å; I745-C839 HydrophobicContact CD1-CB 3.25Å; I745-C839 HydrophobicContact CG1-CB 3.97Å; I745-C839 HydrophobicContact CG2-CB 4.34Å; I745-L843 HydrophobicContact CG1-CD2 4.26Å |
| 746 | I | 86.7 | Confident | 88.6 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.8 | -51.9 | 177.5 | -66.6 | -173.7 | 0 | 0 | 0 | 110.1 | F742 A743 Q744 W764 L765 A768 L769 K772 H786 L790 L793 | F742-I746 WeakPolarHBondContact O-CG1 3.44Å; F742-I746 PolarHBondContact O-N 2.89Å; A743-I746 PolarHBondContact O-N 3.39Å; Q744-I746 VanDerWaalsContact C-N 3.32Å; I746-W764 HydrophobicContact CG2-CH2 4.21Å; I746-L765 HydrophobicContact CD1-CB 4.32Å; I746-L765 HydrophobicContact CD1-CD2 3.61Å; I746-L765 HydrophobicContact CG1-CD2 4.35Å; I746-A768 HydrophobicContact CD1-CB 4.5Å; I746-A768 HydrophobicContact CG2-CB 3.78Å; I746-L769 HydrophobicContact CD1-CB 4.12Å; I746-L769 HydrophobicContact CD1-CD1 4.21Å; I746-K772 HydrophobicContact CG2-CD 4.09Å; I746-K772 WeakPolarHBondContact O-CE 3.49Å; I746-K772 PolarHBondContact O-NZ 3.46Å; I746-H786 PolarHBondContact O-NE2 2.66Å; I746-L790 HydrophobicContact CG1-CD2 4.25Å; I746-L793 HydrophobicContact CD1-CD2 4.16Å; I746-L793 HydrophobicContact CG1-CD2 3.83Å |
| 747 | N | 84.4 | Confident | 88.4 | Confident | 19 Ų | 19 | 20 Ų | 20 | 10% | 0.102 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -79.4 | -20.4 | -174.2 | -72.8 | -21.4 | 0 | 0 | 0 | 114.5 | G546 S549 A743 W749 W764 | G546-N747 PolarHBondContact O-ND2 3.28Å; G546-N747 VanDerWaalsContact O-ND2 3.08Å; S549-N747 WeakPolarHBondContact OG-CB 3.45Å; S549-N747 PolarHBondContact OG-ND2 3.48Å; S549-N747 VanDerWaalsContact OG-ND2 3.08Å; S549-N747 PolarHBondContact OG-OD1 3.08Å; A743-N747 WeakPolarHBondContact O-CB 3.2Å; A743-N747 PolarHBondContact O-N 2.89Å; N747-W749 PolarHBondContact O-N 2.81Å; N747-W764 WeakPolarHBondContact ND2-CH2 3.37Å; N747-W764 WeakPolarHBondContact OD1-CH2 3.36Å; N747-W764 WeakPolarHBondContact OD1-CZ2 3.16Å |
| 748 | G | 83.4 | Confident | 88.3 | Confident | 15 Ų | 15 | 20.5 Ų | 20.5 | 16% | 0.155 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 80.9 | -8.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q744 H786 | Q744-G748 CarbonylContact O-C 3.56Å; Q744-G748 VanDerWaalsContact O-CA 3.23Å; Q744-G748 WeakPolarHBondContact O-CA 3.36Å; Q744-G748 PolarHBondContact O-N 3.29Å; G748-H786 WeakPolarHBondContact CA-NE2 3.18Å; G748-H786 PolarHBondContact N-NE2 2.64Å |
| 749 | W | 88 | Confident | 88.1 | Confident | 72 Ų | 72 | 23.2 Ų | 23.2 | 27% | 0.273 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -127.2 | 145.2 | -178.3 | -63.3 | 110.4 | 0 | 0 | 0 | 110.9 | L542 R545 E699 A703 Q744 N747 | L542-W749 HydrophobicContact CD2-CE3 3.7Å; L542-W749 HydrophobicContact CD2-CZ3 3.61Å; R545-W749 HydrophobicContact CG-CG 4.18Å; R545-W749 VanDerWaalsContact CZ-CZ2 3.42Å; R545-W749 VanDerWaalsContact NE-CE2 3.34Å; E699-W749 HydrophobicContact CB-CZ3 4.43Å; A703-W749 HydrophobicContact CB-CE3 4.38Å; A703-W749 HydrophobicContact CB-CZ3 4.38Å; Q744-W749 VanDerWaalsContact CA-O 3.31Å; Q744-W749 WeakPolarHBondContact CA-O 3.38Å; N747-W749 PolarHBondContact O-N 2.81Å |
| 750 | P | 89.8 | Confident | 87.9 | Confident | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | trans | -61.3 | 147.1 | -175.8 | 27.4 | -34.9 | 0 | 0 | 0 | 111.6 | L542 L543 A703 L706 Q744 | L542-P750 HydrophobicContact CB-CG 3.86Å; L543-P750 WeakPolarHBondContact CA-O 3.34Å; L543-P750 HydrophobicContact CD2-CB 3.85Å; L543-P750 HydrophobicContact CD2-CG 4.24Å; A703-P750 HydrophobicContact CB-CG 4.47Å; L706-P750 HydrophobicContact CB-CB 4.25Å; L706-P750 HydrophobicContact CD1-CB 4.14Å; L706-P750 HydrophobicContact CD1-CG 3.79Å; Q744-P750 HydrophobicContact CG-CB 4.45Å | ||
| 751 | V | 89.9 | Confident | 87.7 | Confident | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.03 | 15% | 0.15 | C | C | . | . | trans | -131.5 | 144.4 | 177.6 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | I547 I550 C740 A743 | I547-V751 HydrophobicContact CG1-CG1 4.15Å; I550-V751 HydrophobicContact CD1-CG1 4.3Å; C740-V751 WeakPolarHBondContact CB-O 3.45Å; A743-V751 HydrophobicContact CB-CB 3.96Å; A743-V751 HydrophobicContact CB-CG1 4.31Å; A743-V751 HydrophobicContact CB-CG2 4.01Å | ||
| 752 | T | 90.3 | Very high | 87.6 | Confident | 17 Ų | 17 | 27.3 Ų | 27.3 | 10% | 0.104 | 15% | 0.151 | C | C | . | . | trans | -127.3 | 141.5 | 172.9 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | L543 L563 Y567 | L543-T752 HydrophobicContact CD1-CG2 4.21Å; L543-T752 HydrophobicContact CD2-CG2 4.06Å; L563-T752 HydrophobicContact CB-CG2 4.41Å; L563-T752 HydrophobicContact CD1-CG2 3.73Å; Y567-T752 HydrophobicContact CD2-CG2 4.29Å; Y567-T752 HydrophobicContact CE2-CG2 3.77Å | ||
| 753 | A | 87.6 | Confident | 87.4 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | trans | -139.5 | 147.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L559 L736 L761 | L559-A753 HydrophobicContact CD2-CB 3.42Å; L559-A753 VanDerWaalsContact CD2-CB 3.42Å; L736-A753 WeakPolarHBondContact CD1-O 3.28Å; A753-L761 HydrophobicContact CB-CD1 4.46Å | ||
| 754 | P | 87.9 | Confident | 87.4 | Confident | 30 Ų | 30 | 32.4 Ų | 32.4 | 20% | 0.195 | 18% | 0.177 | C | C | . | . | trans | -72.2 | 151 | 165.2 | 30 | -28.9 | 0 | 0 | 0 | 110 | H562 K756 C757 | H562-P754 HydrophobicContact CB-CG 4.14Å; H562-P754 WeakPolarHBondContact ND1-CB 3.26Å; P754-K756 PolarHBondContact O-N 3.49Å; P754-C757 HydrophobicContact CG-CB 4.09Å; P754-C757 VanDerWaalsContact CG-SG 3.51Å; P754-C757 PolarHBondContact O-N 3.12Å | ||
| 755 | G | 82.1 | Confident | 87.3 | Confident | 51 Ų | 51 | 32.2 Ų | 32.2 | 53% | 0.526 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -53 | -28.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | C757 V758 | G755-C757 VanDerWaalsContact C-N 3.32Å; G755-C757 PolarHBondContact O-N 3.19Å; G755-V758 WeakPolarHBondContact O-CB 3.33Å; G755-V758 PolarHBondContact O-N 3.03Å |
| 756 | K | 85.5 | Confident | 87.4 | Confident | 193 Ų | 193 | 34.6 Ų | 34.6 | 84% | 0.839 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -67.3 | -30 | 178.4 | -63.3 | -176.1 | 179.6 | -176.9 | 0 | 113.7 | P754 | P754-K756 PolarHBondContact O-N 3.49Š|
| 757 | C | 87.5 | Confident | 87.4 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -92.2 | -3.2 | -177.4 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | L555 Q558 L559 P754 G755 E760 L761 | L555-C757 HydrophobicContact CD1-CB 3.69Å; Q558-C757 PolarHBondContact OE1-SG 3.34Å; L559-C757 HydrophobicContact CD2-CB 4.3Å; P754-C757 HydrophobicContact CG-CB 4.09Å; P754-C757 VanDerWaalsContact CG-SG 3.51Å; P754-C757 PolarHBondContact O-N 3.12Å; G755-C757 VanDerWaalsContact C-N 3.32Å; G755-C757 PolarHBondContact O-N 3.19Å; C757-E760 PolarHBondContact O-N 3.4Å; C757-L761 WeakPolarHBondContact O-CB 3.31Å; C757-L761 PolarHBondContact O-N 2.92Å |
| 758 | V | 87.9 | Confident | 87.4 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -45.2 | -177.5 | 170.9 | 0 | 0 | 0 | 0 | 112.3 | T735 L736 T739 G755 L761 I762 | T735-V758 HydrophobicContact CG2-CG1 3.82Å; L736-V758 HydrophobicContact CB-CG2 4.2Å; L736-V758 HydrophobicContact CD1-CG2 4.34Å; L736-V758 HydrophobicContact CG-CG2 4.29Å; T739-V758 HydrophobicContact CG2-CG1 4.25Å; G755-V758 WeakPolarHBondContact O-CB 3.33Å; G755-V758 PolarHBondContact O-N 3.03Å; V758-L761 PolarHBondContact O-N 3.48Å; V758-I762 HydrophobicContact CG1-CD1 3.84Å; V758-I762 HydrophobicContact CG1-CG1 4.4Å; V758-I762 VanDerWaalsContact O-CG1 3.28Å; V758-I762 WeakPolarHBondContact O-CG1 2.98Å; V758-I762 PolarHBondContact O-N 3.42Å |
| 759 | P | 85.5 | Confident | 87.5 | Confident | 57 Ų | 57 | 39.4 Ų | 39.4 | 37% | 0.37 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60 | -48.4 | 177.3 | -23.7 | 35.1 | 0 | 0 | 0 | 112.8 | L761 I762 D763 | P759-L761 VanDerWaalsContact C-N 3.26Å; P759-L761 PolarHBondContact O-N 2.88Å; P759-I762 WeakPolarHBondContact O-CB 3.48Å; P759-I762 PolarHBondContact O-N 3.18Å; P759-I762 VanDerWaalsContact O-N 3.1Å; P759-D763 PolarHBondContact O-N 3.02Å |
| 760 | E | 87 | Confident | 87.2 | Confident | 88 Ų | 88 | 42.5 Ų | 42.5 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.5 | -34.7 | 177.3 | -64.9 | 179.7 | -166.4 | 0 | 0 | 112 | L555 C757 W764 | L555-E760 HydrophobicContact CD1-CB 4.05Å; L555-E760 HydrophobicContact CD2-CB 4.19Å; C757-E760 PolarHBondContact O-N 3.4Å; E760-W764 WeakPolarHBondContact O-CB 3.05Å; E760-W764 PolarHBondContact O-N 3.34Å |
| 761 | L | 88.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.9 | -36.2 | 175.8 | -145.6 | 105.1 | 0 | 0 | 0 | 111.4 | I550 L555 L559 T739 A743 A753 C757 V758 P759 W764 L765 | I550-L761 HydrophobicContact CD1-CD1 4.06Å; L555-L761 HydrophobicContact CD1-CD1 4.42Å; L555-L761 HydrophobicContact CD2-CD1 4.21Å; L559-L761 HydrophobicContact CD1-CD1 3.62Å; L559-L761 HydrophobicContact CD2-CD1 4.22Å; T739-L761 HydrophobicContact CG2-CB 3.82Å; T739-L761 HydrophobicContact CG2-CD2 3.45Å; T739-L761 VanDerWaalsContact CG2-CD2 3.45Å; T739-L761 HydrophobicContact CG2-CG 4.21Å; A743-L761 HydrophobicContact CB-CD2 3.76Å; A753-L761 HydrophobicContact CB-CD1 4.46Å; C757-L761 WeakPolarHBondContact O-CB 3.31Å; C757-L761 PolarHBondContact O-N 2.92Å; V758-L761 PolarHBondContact O-N 3.48Å; P759-L761 VanDerWaalsContact C-N 3.26Å; P759-L761 PolarHBondContact O-N 2.88Å; L761-W764 HydrophobicContact CG-CE3 4.36Å; L761-W764 CarbonylContact O-C 3.49Å; L761-W764 PolarHBondContact O-N 3.19Å; L761-L765 VanDerWaalsContact O-CG 3.27Å; L761-L765 WeakPolarHBondContact O-CG 3.06Å; L761-L765 PolarHBondContact O-N 3.35Å |
| 762 | I | 89 | Confident | 86 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -45.6 | 175.1 | -68.8 | 166.4 | 0 | 0 | 0 | 110.2 | T735 T739 V758 P759 W764 L765 F766 L802 A806 | T735-I762 HydrophobicContact CG2-CD1 4.22Å; T739-I762 HydrophobicContact CG2-CG1 3.97Å; V758-I762 HydrophobicContact CG1-CD1 3.84Å; V758-I762 HydrophobicContact CG1-CG1 4.4Å; V758-I762 VanDerWaalsContact O-CG1 3.28Å; V758-I762 WeakPolarHBondContact O-CG1 2.98Å; V758-I762 PolarHBondContact O-N 3.42Å; P759-I762 WeakPolarHBondContact O-CB 3.48Å; P759-I762 PolarHBondContact O-N 3.18Å; P759-I762 VanDerWaalsContact O-N 3.1Å; I762-W764 VanDerWaalsContact C-N 3.28Å; I762-W764 PolarHBondContact O-N 3.01Å; I762-L765 WeakPolarHBondContact O-CB 3.3Å; I762-L765 PolarHBondContact O-N 3.03Å; I762-F766 HydrophobicContact CG2-CD2 4.07Å; I762-F766 HydrophobicContact CG2-CE2 3.8Å; I762-F766 VanDerWaalsContact O-CD2 3.29Å; I762-F766 WeakPolarHBondContact O-CD2 3.34Å; I762-F766 PolarHBondContact O-N 2.82Å; I762-F766 VanDerWaalsContact O-N 3.11Å; I762-L802 HydrophobicContact CD1-CD2 4.22Å; I762-L802 HydrophobicContact CD1-CG 3.96Å; I762-L802 HydrophobicContact CG1-CD2 3.85Å; I762-L802 HydrophobicContact CG1-CG 4.15Å; I762-A806 HydrophobicContact CD1-CB 3.55Å |
| 763 | D | 88 | Confident | 84.6 | Confident | 103 Ų | 103 | 49.2 Ų | 49.2 | 55% | 0.551 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -58.3 | -44.5 | 175 | -67.2 | -24.9 | 0 | 0 | 0 | 110.8 | P759 L765 F766 E767 | P759-D763 PolarHBondContact O-N 3.02Å; D763-L765 VanDerWaalsContact C-N 3.35Å; D763-L765 PolarHBondContact O-N 2.87Å; D763-F766 PolarHBondContact O-N 3.31Å; D763-E767 PolarHBondContact O-N 3.01Å; D763-E767 VanDerWaalsContact O-N 3.13Å |
| 764 | W | 89.7 | Confident | 83.2 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 173.6 | 174.1 | 76.9 | 0 | 0 | 0 | 112.9 | I550 H552 L555 A743 I746 N747 E760 L761 I762 F766 E767 A768 | I550-W764 HydrophobicContact CB-CZ2 4.44Å; I550-W764 HydrophobicContact CG1-CD2 4.27Å; I550-W764 HydrophobicContact CG1-CE3 4.45Å; I550-W764 HydrophobicContact CG1-CH2 4.2Å; I550-W764 HydrophobicContact CG1-CZ2 3.95Å; I550-W764 HydrophobicContact CG1-CZ3 4.41Å; I550-W764 HydrophobicContact CG2-CD2 4.13Å; I550-W764 HydrophobicContact CG2-CG 4.08Å; H552-W764 AromaticContact CD2-CD1 3.97Å; L555-W764 HydrophobicContact CD2-CB 4.42Å; A743-W764 HydrophobicContact CB-CZ3 4.03Å; I746-W764 HydrophobicContact CG2-CH2 4.21Å; N747-W764 WeakPolarHBondContact ND2-CH2 3.37Å; N747-W764 WeakPolarHBondContact OD1-CH2 3.36Å; N747-W764 WeakPolarHBondContact OD1-CZ2 3.16Å; E760-W764 WeakPolarHBondContact O-CB 3.05Å; E760-W764 PolarHBondContact O-N 3.34Å; L761-W764 HydrophobicContact CG-CE3 4.36Å; L761-W764 CarbonylContact O-C 3.49Å; L761-W764 PolarHBondContact O-N 3.19Å; I762-W764 VanDerWaalsContact C-N 3.28Å; I762-W764 PolarHBondContact O-N 3.01Å; W764-F766 VanDerWaalsContact C-N 3.29Å; W764-F766 PolarHBondContact O-N 3.17Å; W764-E767 PolarHBondContact O-N 3.45Å; W764-A768 HydrophobicContact CD2-CB 4.24Å; W764-A768 HydrophobicContact CH2-CB 4Å; W764-A768 HydrophobicContact CZ2-CB 3.65Å; W764-A768 HydrophobicContact CZ3-CB 4.48Å; W764-A768 WeakPolarHBondContact O-CB 3.38Å; W764-A768 PolarHBondContact O-N 2.77Å |
| 765 | L | 89 | Confident | 81.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 175.4 | -72 | 172 | 0 | 0 | 0 | 111 | T739 F742 A743 I746 L761 I762 D763 L769 L799 L802 | T739-L765 HydrophobicContact CG2-CD1 4.09Å; F742-L765 HydrophobicContact CB-CD1 4.07Å; F742-L765 HydrophobicContact CB-CD2 4.33Å; A743-L765 HydrophobicContact CB-CD2 3.96Å; I746-L765 HydrophobicContact CD1-CB 4.32Å; I746-L765 HydrophobicContact CD1-CD2 3.61Å; I746-L765 HydrophobicContact CG1-CD2 4.35Å; L761-L765 VanDerWaalsContact O-CG 3.27Å; L761-L765 WeakPolarHBondContact O-CG 3.06Å; L761-L765 PolarHBondContact O-N 3.35Å; I762-L765 WeakPolarHBondContact O-CB 3.3Å; I762-L765 PolarHBondContact O-N 3.03Å; D763-L765 VanDerWaalsContact C-N 3.35Å; D763-L765 PolarHBondContact O-N 2.87Å; L765-L769 WeakPolarHBondContact O-CB 3.46Å; L765-L769 PolarHBondContact O-N 3.22Å; L765-L799 HydrophobicContact CB-CD1 3.75Å; L765-L799 HydrophobicContact CB-CD2 3.87Å; L765-L799 HydrophobicContact CB-CG 4.39Å; L765-L799 HydrophobicContact CD1-CD1 3.76Å; L765-L799 HydrophobicContact CG-CD1 4.35Å; L765-L802 HydrophobicContact CD1-CD2 4.14Å |
| 766 | F | 88 | Confident | 80.3 | Confident | 50 Ų | 50 | 60.8 Ų | 60.8 | 22% | 0.219 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 176.7 | -81.8 | -79.4 | 0 | 0 | 0 | 111.4 | I762 D763 W764 K770 L799 D800 | I762-F766 HydrophobicContact CG2-CD2 4.07Å; I762-F766 HydrophobicContact CG2-CE2 3.8Å; I762-F766 VanDerWaalsContact O-CD2 3.29Å; I762-F766 WeakPolarHBondContact O-CD2 3.34Å; I762-F766 PolarHBondContact O-N 2.82Å; I762-F766 VanDerWaalsContact O-N 3.11Å; D763-F766 PolarHBondContact O-N 3.31Å; W764-F766 VanDerWaalsContact C-N 3.29Å; W764-F766 PolarHBondContact O-N 3.17Å; F766-K770 WeakPolarHBondContact O-CB 3.22Å; F766-K770 VanDerWaalsContact O-CG 3.31Å; F766-K770 WeakPolarHBondContact O-CG 3.31Å; F766-K770 PolarHBondContact O-N 3.29Å; F766-K770 VanDerWaalsContact O-N 3.13Å; F766-L799 HydrophobicContact CB-CD2 4.14Å; F766-L799 HydrophobicContact CD1-CD2 3.51Å; F766-L799 HydrophobicContact CD1-CG 4.19Å; F766-L799 HydrophobicContact CD2-CD2 3.66Å; F766-L799 HydrophobicContact CD2-CG 3.95Å; F766-L799 HydrophobicContact CE1-CB 3.9Å; F766-L799 HydrophobicContact CE1-CD2 3.73Å; F766-L799 HydrophobicContact CE1-CG 3.91Å; F766-L799 HydrophobicContact CE2-CB 4.32Å; F766-L799 HydrophobicContact CE2-CD2 3.86Å; F766-L799 HydrophobicContact CE2-CG 3.64Å; F766-L799 HydrophobicContact CG-CD2 3.47Å; F766-L799 VanDerWaalsContact CG-CD2 3.47Å; F766-L799 HydrophobicContact CG-CG 4.2Å; F766-L799 VanDerWaalsContact CZ-C 3.49Å; F766-L799 HydrophobicContact CZ-CB 3.79Å; F766-L799 HydrophobicContact CZ-CD2 3.9Å; F766-L799 HydrophobicContact CZ-CG 3.63Å; F766-L799 WeakPolarHBondContact CZ-O 3.45Å; F766-D800 WeakPolarHBondContact CE1-OD1 3.35Å |
| 767 | E | 86.7 | Confident | 78.6 | Confident | 104 Ų | 104 | 56 Ų | 56 | 49% | 0.486 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 176.3 | -69.1 | -179.7 | 168.3 | 0 | 0 | 112.1 | H552 D763 W764 K770 S771 | H552-E767 IonicContact CD2-OE2 3.4Å; H552-E767 IonicContact CE1-OE2 2.96Å; H552-E767 IonicContact NE2-OE2 3.77Å; H552-E767 PolarHBondContact NE2-OE2 3.07Å; D763-E767 PolarHBondContact O-N 3.01Å; D763-E767 VanDerWaalsContact O-N 3.13Å; W764-E767 PolarHBondContact O-N 3.45Å; E767-K770 PolarHBondContact O-N 3.47Å; E767-S771 PolarHBondContact O-N 3Å; E767-S771 PolarHBondContact O-OG 3.5Å |
| 768 | A | 85.2 | Confident | 76.6 | Confident | 6 Ų | 6 | 63 Ų | 63 | 5% | 0.05 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.2 | -38.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I746 W764 S771 K772 | I746-A768 HydrophobicContact CD1-CB 4.5Å; I746-A768 HydrophobicContact CG2-CB 3.78Å; W764-A768 HydrophobicContact CD2-CB 4.24Å; W764-A768 HydrophobicContact CH2-CB 4Å; W764-A768 HydrophobicContact CZ2-CB 3.65Å; W764-A768 HydrophobicContact CZ3-CB 4.48Å; W764-A768 WeakPolarHBondContact O-CB 3.38Å; W764-A768 PolarHBondContact O-N 2.77Å; A768-S771 WeakPolarHBondContact CA-OG 3.5Å; A768-S771 PolarHBondContact O-OG 3.17Å; A768-K772 WeakPolarHBondContact O-CG 3.37Å; A768-K772 PolarHBondContact O-N 3.38Å; A768-K772 VanDerWaalsContact O-N 3.08Å |
| 769 | L | 84.3 | Confident | 74.4 | Confident | 26 Ų | 26 | 66.2 Ų | 66.2 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 175.7 | -166.4 | 65.5 | 0 | 0 | 0 | 111.3 | I746 L765 K772 T773 L790 L793 Q794 L799 | I746-L769 HydrophobicContact CD1-CB 4.12Å; I746-L769 HydrophobicContact CD1-CD1 4.21Å; L765-L769 WeakPolarHBondContact O-CB 3.46Å; L765-L769 PolarHBondContact O-N 3.22Å; L769-K772 PolarHBondContact O-N 3.18Å; L769-T773 PolarHBondContact O-N 3.26Å; L769-T773 PolarHBondContact O-OG1 2.94Å; L769-L790 HydrophobicContact CD1-CD2 4.33Å; L769-L793 HydrophobicContact CD1-CD2 4.22Å; L769-Q794 HydrophobicContact CD1-CG 3.72Å; L769-Q794 HydrophobicContact CD2-CG 4.38Å; L769-Q794 HydrophobicContact CG-CG 4.13Å; L769-L799 HydrophobicContact CD2-CD2 4.41Å |
| 770 | K | 82.1 | Confident | 72.2 | Confident | 137 Ų | 137 | 72.3 Ų | 72.3 | 60% | 0.596 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64 | -46.2 | 175.7 | -75.5 | 176.1 | -177.4 | 176.2 | 0 | 112.5 | F766 E767 K772 T773 E774 | F766-K770 WeakPolarHBondContact O-CB 3.22Å; F766-K770 VanDerWaalsContact O-CG 3.31Å; F766-K770 WeakPolarHBondContact O-CG 3.31Å; F766-K770 PolarHBondContact O-N 3.29Å; F766-K770 VanDerWaalsContact O-N 3.13Å; E767-K770 PolarHBondContact O-N 3.47Å; K770-K772 VanDerWaalsContact C-N 3.31Å; K770-K772 PolarHBondContact O-N 3.47Å; K770-T773 VanDerWaalsContact C-OG1 3.28Å; K770-T773 VanDerWaalsContact CA-OG1 3.3Å; K770-T773 WeakPolarHBondContact CA-OG1 3.33Å; K770-T773 PolarHBondContact O-N 3.43Å; K770-T773 PolarHBondContact O-OG1 3.26Å; K770-E774 PolarHBondContact O-N 3.34Å |
| 771 | S | 79.5 | Confident | 69.9 | Low | 45 Ų | 45 | 71.7 Ų | 71.7 | 32% | 0.315 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.5 | -35.9 | 177.9 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | E767 A768 E774 L775 | E767-S771 PolarHBondContact O-N 3Å; E767-S771 PolarHBondContact O-OG 3.5Å; A768-S771 WeakPolarHBondContact CA-OG 3.5Å; A768-S771 PolarHBondContact O-OG 3.17Å; S771-E774 PolarHBondContact O-N 2.85Å; S771-L775 PolarHBondContact O-N 3.01Å |
| 772 | K | 74.5 | Confident | 67.5 | Low | 55 Ų | 55 | 80.6 Ų | 80.6 | 24% | 0.239 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -71.3 | -33 | 175.2 | -71.2 | -166.7 | -175.3 | -144.2 | 0 | 113.3 | I746 A768 L769 K770 E774 L775 E776 L790 | I746-K772 HydrophobicContact CG2-CD 4.09Å; I746-K772 WeakPolarHBondContact O-CE 3.49Å; I746-K772 PolarHBondContact O-NZ 3.46Å; A768-K772 WeakPolarHBondContact O-CG 3.37Å; A768-K772 PolarHBondContact O-N 3.38Å; A768-K772 VanDerWaalsContact O-N 3.08Å; L769-K772 PolarHBondContact O-N 3.18Å; K770-K772 VanDerWaalsContact C-N 3.31Å; K770-K772 PolarHBondContact O-N 3.47Å; K772-E774 VanDerWaalsContact C-N 3.28Å; K772-E774 PolarHBondContact O-N 3.08Å; K772-L775 PolarHBondContact O-N 2.78Å; K772-E776 WeakPolarHBondContact O-CG 3.36Å; K772-E776 PolarHBondContact O-N 3.16Å; K772-E776 VanDerWaalsContact O-N 3.16Å; K772-L790 HydrophobicContact CD-CD1 4.19Å; K772-L790 HydrophobicContact CD-CD2 4.31Å |
| 773 | T | 61.8 | Low | 65.6 | Low | 65 Ų | 65 | 85.8 Ų | 85.8 | 40% | 0.399 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.1 | -35.6 | 172.1 | 39.4 | 0 | 0 | 0 | 0 | 112.7 | L769 K770 Q794 | L769-T773 PolarHBondContact O-N 3.26Å; L769-T773 PolarHBondContact O-OG1 2.94Å; K770-T773 VanDerWaalsContact C-OG1 3.28Å; K770-T773 VanDerWaalsContact CA-OG1 3.3Å; K770-T773 WeakPolarHBondContact CA-OG1 3.33Å; K770-T773 PolarHBondContact O-N 3.43Å; K770-T773 PolarHBondContact O-OG1 3.26Å; T773-Q794 HydrophobicContact CG2-CG 4.3Å |
| 774 | E | 57.2 | Low | 64.6 | Low | 145 Ų | 145 | 85.8 Ų | 85.8 | 68% | 0.678 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -69.7 | -41.2 | 178.5 | -68.7 | 175.9 | -178.4 | 0 | 0 | 111.9 | K770 S771 K772 S777 | K770-E774 PolarHBondContact O-N 3.34Å; S771-E774 PolarHBondContact O-N 2.85Å; K772-E774 VanDerWaalsContact C-N 3.28Å; K772-E774 PolarHBondContact O-N 3.08Å; E774-S777 PolarHBondContact O-OG 3.41Å |
| 775 | L | 55.7 | Low | 64.1 | Low | 128 Ų | 128 | 86.7 Ų | 86.7 | 67% | 0.67 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.1 | -34.3 | 179.1 | -80.4 | 155.3 | 0 | 0 | 0 | 113.7 | S771 K772 S777 N778 | S771-L775 PolarHBondContact O-N 3.01Å; K772-L775 PolarHBondContact O-N 2.78Å; L775-S777 VanDerWaalsContact C-N 3.31Å; L775-S777 PolarHBondContact O-N 3.41Å; L775-N778 PolarHBondContact O-N 3.31Å |
| 776 | E | 53.6 | Low | 63.7 | Low | 53 Ų | 53 | 88.9 Ų | 88.9 | 25% | 0.248 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -71.4 | -23.1 | -177.3 | -76.8 | -173.4 | -176.7 | 0 | 0 | 113.7 | K772 N778 S779 | K772-E776 WeakPolarHBondContact O-CG 3.36Å; K772-E776 PolarHBondContact O-N 3.16Å; K772-E776 VanDerWaalsContact O-N 3.16Å; E776-N778 PolarHBondContact O-N 3.43Å; E776-S779 PolarHBondContact O-N 3.39Å |
| 777 | S | 50.2 | Low | 63.3 | Low | 93 Ų | 93 | 88.4 Ų | 88.4 | 65% | 0.65 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.4 | 174.5 | 67.5 | 0 | 0 | 0 | 0 | 113.5 | E774 L775 | E774-S777 PolarHBondContact O-OG 3.41Å; L775-S777 VanDerWaalsContact C-N 3.31Å; L775-S777 PolarHBondContact O-N 3.41Å |
| 778 | N | 45.9 | Very low | 63.1 | Low | 150 Ų | 150 | 85.9 Ų | 85.9 | 80% | 0.802 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 4.9 | -175.9 | -84 | -25.3 | 0 | 0 | 0 | 116.4 | L775 E776 | L775-N778 PolarHBondContact O-N 3.31Å; E776-N778 PolarHBondContact O-N 3.43Å |
| 779 | S | 41.1 | Very low | 63.1 | Low | 78 Ų | 78 | 85.6 Ų | 85.6 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | trans | -126.4 | 101.9 | 179.9 | 66.2 | 0 | 0 | 0 | 0 | 114.8 | E776 A781 | E776-S779 PolarHBondContact O-N 3.39Å; S779-A781 VanDerWaalsContact C-N 3.3Å; S779-A781 PolarHBondContact O-N 3.23Å | ||
| 780 | N | 38.8 | Very low | 63.1 | Low | 184 Ų | 184 | 84.5 Ų | 84.5 | 98% | 0.984 | 47% | 0.469 | S | S | * | . | trans | -71 | 81.4 | 161.6 | -92.7 | -24 | 0 | 0 | 0 | 109.4 | ||||
| 781 | A | 39.4 | Very low | 63.2 | Low | 76 Ų | 76 | 83.6 Ų | 83.6 | 63% | 0.628 | 47% | 0.465 | S | S | * | . | trans | -138.7 | 127.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | S779 | S779-A781 VanDerWaalsContact C-N 3.3Å; S779-A781 PolarHBondContact O-N 3.23Å | ||
| 782 | K | 38.5 | Very low | 63.5 | Low | 187 Ų | 187 | 83.4 Ų | 83.4 | 81% | 0.813 | 46% | 0.46 | S | S | * | . | trans | -6.6 | 134.7 | 168.8 | -69.8 | 170.4 | 176.5 | 174.9 | 0 | 116.2 | N784 | K782-N784 VanDerWaalsContact C-N 3.29Å; K782-N784 PolarHBondContact O-N 3.06Å | ||
| 783 | S | 48.2 | Very low | 64 | Low | 112 Ų | 112 | 80.9 Ų | 80.9 | 78% | 0.783 | 45% | 0.449 | S | S | * | . | trans | -52.3 | 85 | 177.5 | 65.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 784 | N | 68.4 | Low | 65.1 | Low | 104 Ų | 104 | 80.1 Ų | 80.1 | 56% | 0.556 | 44% | 0.441 | S | S | * | . | trans | -79.9 | 134.6 | 168.4 | -77.9 | -13.9 | 0 | 0 | 0 | 107.4 | K782 H786 V787 T788 | K782-N784 VanDerWaalsContact C-N 3.29Å; K782-N784 PolarHBondContact O-N 3.06Å; N784-H786 PolarHBondContact O-N 2.95Å; N784-V787 HydrophobicContact CB-CG2 4.22Å; N784-V787 WeakPolarHBondContact O-CB 3.22Å; N784-V787 PolarHBondContact O-N 3.44Å; N784-T788 PolarHBondContact O-N 3.08Å | ||
| 785 | S | 77.4 | Confident | 66.4 | Low | 22 Ų | 22 | 77.4 Ų | 77.4 | 15% | 0.154 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -45 | -38 | 178 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | R700 T788 A789 Q842 L843 A845 | R700-S785 PolarHBondContact NH2-OG 3.04Å; S785-T788 PolarHBondContact O-N 2.96Å; S785-A789 PolarHBondContact O-N 3.38Å; S785-A789 VanDerWaalsContact O-N 3.13Å; S785-Q842 CarbonylContact C-O 3.58Å; S785-Q842 WeakPolarHBondContact CB-O 3.4Å; S785-L843 WeakPolarHBondContact CB-O 3.31Å; S785-L843 PolarHBondContact OG-O 3.26Å; S785-A845 WeakPolarHBondContact CB-OXT 3.41Å |
| 786 | H | 80.6 | Confident | 67.7 | Low | 46 Ų | 46 | 72.4 Ų | 72.4 | 21% | 0.213 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 175 | -171.8 | -82.1 | 0 | 0 | 0 | 114.2 | I745 I746 G748 N784 A789 L790 L843 | I745-H786 PolarHBondContact O-NE2 3.24Å; I746-H786 PolarHBondContact O-NE2 2.66Å; G748-H786 WeakPolarHBondContact CA-NE2 3.18Å; G748-H786 PolarHBondContact N-NE2 2.64Å; N784-H786 PolarHBondContact O-N 2.95Å; H786-A789 PolarHBondContact O-N 3.23Å; H786-L790 VanDerWaalsContact CE1-CD1 3.45Å; H786-L790 WeakPolarHBondContact CE1-CD1 3.21Å; H786-L790 WeakPolarHBondContact ND1-CD1 3.45Å; H786-L790 PolarHBondContact O-N 3.17Å; H786-L843 HydrophobicContact CB-CD1 4.05Å |
| 787 | V | 80 | Confident | 69.1 | Low | 40 Ų | 40 | 75 Ų | 75 | 24% | 0.242 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.2 | -39.3 | -179.8 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | N784 A789 L790 K791 | N784-V787 HydrophobicContact CB-CG2 4.22Å; N784-V787 WeakPolarHBondContact O-CB 3.22Å; N784-V787 PolarHBondContact O-N 3.44Å; V787-A789 VanDerWaalsContact C-N 3.35Å; V787-A789 PolarHBondContact O-N 3.31Å; V787-L790 PolarHBondContact O-N 3.34Å; V787-K791 HydrophobicContact CG1-CD 4.34Å; V787-K791 WeakPolarHBondContact O-CG 3.27Å; V787-K791 PolarHBondContact O-N 2.89Å |
| 788 | T | 83.2 | Confident | 70.9 | Confident | 52 Ų | 52 | 70.5 Ų | 70.5 | 32% | 0.319 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 176 | -49 | 0 | 0 | 0 | 0 | 111.3 | N784 S785 K791 I792 Q842 | N784-T788 PolarHBondContact O-N 3.08Å; S785-T788 PolarHBondContact O-N 2.96Å; T788-K791 PolarHBondContact O-N 2.84Å; T788-I792 HydrophobicContact CG2-CD1 4.43Å; T788-I792 WeakPolarHBondContact O-CG1 3.27Å; T788-I792 PolarHBondContact O-N 3.18Å; T788-I792 VanDerWaalsContact O-N 3.15Å; T788-Q842 HydrophobicContact CG2-CB 4.49Å; T788-Q842 HydrophobicContact CG2-CG 4.43Å |
| 789 | A | 84.4 | Confident | 72.9 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I745 S785 H786 V787 K791 I792 L793 C839 Q842 L843 | I745-A789 HydrophobicContact CG2-CB 4.05Å; S785-A789 PolarHBondContact O-N 3.38Å; S785-A789 VanDerWaalsContact O-N 3.13Å; H786-A789 PolarHBondContact O-N 3.23Å; V787-A789 VanDerWaalsContact C-N 3.35Å; V787-A789 PolarHBondContact O-N 3.31Å; A789-K791 PolarHBondContact O-N 3.44Å; A789-I792 PolarHBondContact O-N 3.47Å; A789-L793 PolarHBondContact O-N 2.82Å; A789-C839 WeakPolarHBondContact CB-O 3.27Å; A789-Q842 HydrophobicContact CB-CB 4.15Å; A789-L843 HydrophobicContact CB-CB 4.01Å |
| 790 | L | 84.1 | Confident | 75.1 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 174.7 | -83.7 | 169.8 | 0 | 0 | 0 | 112.2 | I746 L769 K772 H786 V787 I792 L793 Q794 | I746-L790 HydrophobicContact CG1-CD2 4.25Å; L769-L790 HydrophobicContact CD1-CD2 4.33Å; K772-L790 HydrophobicContact CD-CD1 4.19Å; K772-L790 HydrophobicContact CD-CD2 4.31Å; H786-L790 VanDerWaalsContact CE1-CD1 3.45Å; H786-L790 WeakPolarHBondContact CE1-CD1 3.21Å; H786-L790 WeakPolarHBondContact ND1-CD1 3.45Å; H786-L790 PolarHBondContact O-N 3.17Å; V787-L790 PolarHBondContact O-N 3.34Å; L790-I792 VanDerWaalsContact C-N 3.31Å; L790-I792 PolarHBondContact O-N 2.95Å; L790-L793 WeakPolarHBondContact O-CB 3.35Å; L790-L793 PolarHBondContact O-N 3.43Å; L790-Q794 VanDerWaalsContact O-CG 3.28Å; L790-Q794 WeakPolarHBondContact O-CG 3.25Å; L790-Q794 PolarHBondContact O-N 3.25Å |
| 791 | K | 84.5 | Confident | 77.5 | Confident | 117 Ų | 117 | 55.8 Ų | 55.8 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62 | -37.4 | 178 | -74.9 | 179.4 | 179.5 | -176.9 | 0 | 113 | V787 T788 A789 Q794 A795 | V787-K791 HydrophobicContact CG1-CD 4.34Å; V787-K791 WeakPolarHBondContact O-CG 3.27Å; V787-K791 PolarHBondContact O-N 2.89Å; T788-K791 PolarHBondContact O-N 2.84Å; A789-K791 PolarHBondContact O-N 3.44Å; K791-Q794 PolarHBondContact O-N 3.04Å; K791-A795 WeakPolarHBondContact O-CB 3.45Å; K791-A795 PolarHBondContact O-N 3.35Å |
| 792 | I | 85.7 | Confident | 79.9 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 175.2 | -66.4 | 165.8 | 0 | 0 | 0 | 110.1 | T788 A789 L790 Q794 A795 S796 V835 Q838 C839 Q842 | T788-I792 HydrophobicContact CG2-CD1 4.43Å; T788-I792 WeakPolarHBondContact O-CG1 3.27Å; T788-I792 PolarHBondContact O-N 3.18Å; T788-I792 VanDerWaalsContact O-N 3.15Å; A789-I792 PolarHBondContact O-N 3.47Å; L790-I792 VanDerWaalsContact C-N 3.31Å; L790-I792 PolarHBondContact O-N 2.95Å; I792-Q794 VanDerWaalsContact C-N 3.3Å; I792-Q794 PolarHBondContact O-N 3.15Å; I792-A795 PolarHBondContact O-N 3.46Å; I792-S796 WeakPolarHBondContact O-CB 3.28Å; I792-S796 PolarHBondContact O-N 3.47Å; I792-S796 VanDerWaalsContact O-N 3.13Å; I792-S796 PolarHBondContact O-OG 3.29Å; I792-V835 HydrophobicContact CG2-CG1 4.45Å; I792-Q838 HydrophobicContact CG2-CB 4.45Å; I792-C839 VanDerWaalsContact CG2-SG 3.55Å; I792-Q842 HydrophobicContact CD1-CB 4.21Å; I792-Q842 HydrophobicContact CD1-CG 3.58Å |
| 793 | L | 86.2 | Confident | 82.3 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 176.9 | -172.5 | 65.3 | 0 | 0 | 0 | 111.2 | F742 I745 I746 L769 A789 L790 S796 | F742-L793 HydrophobicContact CD1-CD1 3.47Å; F742-L793 VanDerWaalsContact CD1-CD1 3.47Å; F742-L793 HydrophobicContact CE1-CD1 3.73Å; F742-L793 HydrophobicContact CG-CD1 4.13Å; I745-L793 HydrophobicContact CG2-CD2 4.18Å; I746-L793 HydrophobicContact CD1-CD2 4.16Å; I746-L793 HydrophobicContact CG1-CD2 3.83Å; L769-L793 HydrophobicContact CD1-CD2 4.22Å; A789-L793 PolarHBondContact O-N 2.82Å; L790-L793 WeakPolarHBondContact O-CB 3.35Å; L790-L793 PolarHBondContact O-N 3.43Å; L793-S796 PolarHBondContact O-N 3.16Å; L793-S796 PolarHBondContact O-OG 2.72Å |
| 794 | Q | 84 | Confident | 84.1 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 23% | 0.229 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.4 | -46.3 | 176.9 | -71.4 | 167.2 | -5.9 | 0 | 0 | 113 | L769 T773 L790 K791 I792 S796 | L769-Q794 HydrophobicContact CD1-CG 3.72Å; L769-Q794 HydrophobicContact CD2-CG 4.38Å; L769-Q794 HydrophobicContact CG-CG 4.13Å; T773-Q794 HydrophobicContact CG2-CG 4.3Å; L790-Q794 VanDerWaalsContact O-CG 3.28Å; L790-Q794 WeakPolarHBondContact O-CG 3.25Å; L790-Q794 PolarHBondContact O-N 3.25Å; K791-Q794 PolarHBondContact O-N 3.04Å; I792-Q794 VanDerWaalsContact C-N 3.3Å; I792-Q794 PolarHBondContact O-N 3.15Å; Q794-S796 PolarHBondContact O-N 3.32Å |
| 795 | A | 84.2 | Confident | 85 | Confident | 88 Ų | 88 | 38.8 Ų | 38.8 | 73% | 0.727 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -70.5 | -21.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K791 I792 | K791-A795 WeakPolarHBondContact O-CB 3.45Å; K791-A795 PolarHBondContact O-N 3.35Å; I792-A795 PolarHBondContact O-N 3.46Å |
| 796 | S | 83.9 | Confident | 85.4 | Confident | 22 Ų | 22 | 38.2 Ų | 38.2 | 15% | 0.154 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -83.8 | -17.5 | -172.1 | 70.3 | 0 | 0 | 0 | 0 | 115.3 | I792 L793 Q794 V798 H831 | I792-S796 WeakPolarHBondContact O-CB 3.28Å; I792-S796 PolarHBondContact O-N 3.47Å; I792-S796 VanDerWaalsContact O-N 3.13Å; I792-S796 PolarHBondContact O-OG 3.29Å; L793-S796 PolarHBondContact O-N 3.16Å; L793-S796 PolarHBondContact O-OG 2.72Å; Q794-S796 PolarHBondContact O-N 3.32Å; S796-V798 PolarHBondContact O-N 3.39Å; S796-V798 WeakPolarHBondContact OG-CB 3.16Å; S796-V798 VanDerWaalsContact OG-CG2 3.28Å; S796-V798 WeakPolarHBondContact OG-CG2 3.43Å; S796-V798 PolarHBondContact OG-N 3.02Å; S796-H831 PolarHBondContact O-CE1 2.86Å; S796-H831 VanDerWaalsContact O-CE1 3.29Å |
| 797 | N | 82.7 | Confident | 85.6 | Confident | 107 Ų | 107 | 40.3 Ų | 40.3 | 57% | 0.572 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 21.3 | -169.3 | -67.7 | -9.3 | 0 | 0 | 0 | 114.8 | L799 D800 | N797-L799 PolarHBondContact O-N 3.2Å; N797-L799 VanDerWaalsContact O-N 3.13Å; N797-D800 WeakPolarHBondContact O-CB 3.49Å; N797-D800 PolarHBondContact O-N 2.93Å; N797-D800 VanDerWaalsContact O-N 3.09Å |
| 798 | V | 88.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.1 | -21.7 | -176.2 | 165.5 | 0 | 0 | 0 | 0 | 113.8 | F742 S796 D800 D801 L802 H831 I832 V835 | F742-V798 HydrophobicContact CE1-CG1 4.28Å; F742-V798 HydrophobicContact CE2-CG1 3.71Å; F742-V798 HydrophobicContact CZ-CG1 3.43Å; F742-V798 VanDerWaalsContact CZ-CG1 3.43Å; S796-V798 PolarHBondContact O-N 3.39Å; S796-V798 WeakPolarHBondContact OG-CB 3.16Å; S796-V798 VanDerWaalsContact OG-CG2 3.28Å; S796-V798 WeakPolarHBondContact OG-CG2 3.43Å; S796-V798 PolarHBondContact OG-N 3.02Å; V798-D800 PolarHBondContact O-N 3.43Å; V798-D801 PolarHBondContact O-N 3.13Å; V798-L802 PolarHBondContact O-N 2.61Å; V798-H831 WeakPolarHBondContact CG2-CE1 3.25Å; V798-I832 HydrophobicContact CG1-CB 4.31Å; V798-I832 HydrophobicContact CG1-CG1 3.83Å; V798-V835 HydrophobicContact CB-CB 4.48Å; V798-V835 HydrophobicContact CB-CG1 4.32Å; V798-V835 HydrophobicContact CG2-CB 3.64Å; V798-V835 HydrophobicContact CG2-CG1 3.83Å; V798-V835 HydrophobicContact CG2-CG2 3.51Å |
| 799 | L | 87.3 | Confident | 85.8 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67 | -29.6 | 177.6 | -150.8 | 67 | 0 | 0 | 0 | 112 | L765 F766 L769 N797 L802 S803 | L765-L799 HydrophobicContact CB-CD1 3.75Å; L765-L799 HydrophobicContact CB-CD2 3.87Å; L765-L799 HydrophobicContact CB-CG 4.39Å; L765-L799 HydrophobicContact CD1-CD1 3.76Å; L765-L799 HydrophobicContact CG-CD1 4.35Å; F766-L799 HydrophobicContact CB-CD2 4.14Å; F766-L799 HydrophobicContact CD1-CD2 3.51Å; F766-L799 HydrophobicContact CD1-CG 4.19Å; F766-L799 HydrophobicContact CD2-CD2 3.66Å; F766-L799 HydrophobicContact CD2-CG 3.95Å; F766-L799 HydrophobicContact CE1-CB 3.9Å; F766-L799 HydrophobicContact CE1-CD2 3.73Å; F766-L799 HydrophobicContact CE1-CG 3.91Å; F766-L799 HydrophobicContact CE2-CB 4.32Å; F766-L799 HydrophobicContact CE2-CD2 3.86Å; F766-L799 HydrophobicContact CE2-CG 3.64Å; F766-L799 HydrophobicContact CG-CD2 3.47Å; F766-L799 VanDerWaalsContact CG-CD2 3.47Å; F766-L799 HydrophobicContact CG-CG 4.2Å; F766-L799 VanDerWaalsContact CZ-C 3.49Å; F766-L799 HydrophobicContact CZ-CB 3.79Å; F766-L799 HydrophobicContact CZ-CD2 3.9Å; F766-L799 HydrophobicContact CZ-CG 3.63Å; F766-L799 WeakPolarHBondContact CZ-O 3.45Å; L769-L799 HydrophobicContact CD2-CD2 4.41Å; N797-L799 PolarHBondContact O-N 3.2Å; N797-L799 VanDerWaalsContact O-N 3.13Å; L799-L802 HydrophobicContact CD1-CD2 3.94Å; L799-L802 PolarHBondContact O-N 3.42Å; L799-S803 WeakPolarHBondContact O-CB 3.5Å; L799-S803 PolarHBondContact O-N 2.89Å |
| 800 | D | 88.1 | Confident | 85.7 | Confident | 72 Ų | 72 | 39.4 Ų | 39.4 | 39% | 0.385 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.1 | -40.3 | 172.6 | -65.6 | -28.6 | 0 | 0 | 0 | 111 | F766 N797 V798 L802 S803 K804 | F766-D800 WeakPolarHBondContact CE1-OD1 3.35Å; N797-D800 WeakPolarHBondContact O-CB 3.49Å; N797-D800 PolarHBondContact O-N 2.93Å; N797-D800 VanDerWaalsContact O-N 3.09Å; V798-D800 PolarHBondContact O-N 3.43Å; D800-L802 VanDerWaalsContact C-N 3.34Å; D800-S803 WeakPolarHBondContact O-CB 3.32Å; D800-S803 PolarHBondContact O-N 3.41Å; D800-K804 VanDerWaalsContact O-CG 3.3Å; D800-K804 WeakPolarHBondContact O-CG 3.24Å; D800-K804 PolarHBondContact O-N 3.09Å |
| 801 | D | 88.8 | Confident | 85.5 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 175.6 | -67.3 | -18.6 | 0 | 0 | 0 | 111.2 | V798 S803 K804 V805 Y828 H831 I832 | V798-D801 PolarHBondContact O-N 3.13Å; D801-S803 VanDerWaalsContact C-N 3.35Å; D801-S803 PolarHBondContact O-N 3.35Å; D801-K804 PolarHBondContact O-N 2.92Å; D801-K804 IonicContact OD1-NZ 3.99Å; D801-K804 PolarHBondContact OD1-NZ 3.44Å; D801-V805 WeakPolarHBondContact O-CG2 3.13Å; D801-V805 PolarHBondContact O-N 3.24Å; D801-Y828 HydrophobicContact CB-CD1 3.9Å; D801-Y828 HydrophobicContact CB-CG 4.22Å; D801-Y828 WeakPolarHBondContact OD1-CD1 3.46Å; D801-Y828 VanDerWaalsContact OD1-CE1 3.29Å; D801-Y828 WeakPolarHBondContact OD1-CE1 3.29Å; D801-H831 IonicContact OD2-CE1 2.71Å; D801-H831 IonicContact OD2-CG 2.93Å; D801-H831 IonicContact OD2-ND1 3.17Å; D801-H831 PolarHBondContact OD2-ND1 3.34Å; D801-I832 HydrophobicContact CB-CD1 4.33Å; D801-I832 HydrophobicContact CB-CG1 4.24Å |
| 802 | L | 89.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 174.1 | -172.9 | 69.4 | 0 | 0 | 0 | 111.8 | T735 A738 F742 I762 L765 V798 L799 D800 V805 A806 I832 | T735-L802 HydrophobicContact CG2-CD1 3.84Å; A738-L802 HydrophobicContact CB-CD1 3.79Å; F742-L802 HydrophobicContact CD2-CD2 3.95Å; F742-L802 HydrophobicContact CE2-CD2 4.39Å; I762-L802 HydrophobicContact CD1-CD2 4.22Å; I762-L802 HydrophobicContact CD1-CG 3.96Å; I762-L802 HydrophobicContact CG1-CD2 3.85Å; I762-L802 HydrophobicContact CG1-CG 4.15Å; L765-L802 HydrophobicContact CD1-CD2 4.14Å; V798-L802 PolarHBondContact O-N 2.61Å; L799-L802 HydrophobicContact CD1-CD2 3.94Å; L799-L802 PolarHBondContact O-N 3.42Å; D800-L802 VanDerWaalsContact C-N 3.34Å; L802-V805 PolarHBondContact O-N 3.38Å; L802-A806 WeakPolarHBondContact O-CB 3.32Å; L802-A806 PolarHBondContact O-N 2.88Å; L802-I832 HydrophobicContact CB-CD1 4.35Å; L802-I832 HydrophobicContact CD1-CD1 4.24Å |
| 803 | S | 88.7 | Confident | 84.9 | Confident | 33 Ų | 33 | 43.8 Ų | 43.8 | 23% | 0.231 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.8 | -47.1 | 174 | 168.7 | 0 | 0 | 0 | 0 | 111.9 | L799 D800 D801 V805 A806 N807 | L799-S803 WeakPolarHBondContact O-CB 3.5Å; L799-S803 PolarHBondContact O-N 2.89Å; D800-S803 WeakPolarHBondContact O-CB 3.32Å; D800-S803 PolarHBondContact O-N 3.41Å; D801-S803 VanDerWaalsContact C-N 3.35Å; D801-S803 PolarHBondContact O-N 3.35Å; S803-V805 PolarHBondContact O-N 2.82Å; S803-A806 PolarHBondContact O-N 3.37Å; S803-N807 WeakPolarHBondContact O-CB 3.37Å; S803-N807 VanDerWaalsContact O-CG 3.31Å; S803-N807 PolarHBondContact O-N 3.41Å; S803-N807 PolarHBondContact O-ND2 3.07Å |
| 804 | K | 87.2 | Confident | 84.3 | Confident | 89 Ų | 89 | 54.3 Ų | 54.3 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 176.9 | -69.9 | 170.8 | -166.9 | 165.4 | 0 | 112.1 | D800 D801 N807 Y808 Y828 | D800-K804 VanDerWaalsContact O-CG 3.3Å; D800-K804 WeakPolarHBondContact O-CG 3.24Å; D800-K804 PolarHBondContact O-N 3.09Å; D801-K804 PolarHBondContact O-N 2.92Å; D801-K804 IonicContact OD1-NZ 3.99Å; D801-K804 PolarHBondContact OD1-NZ 3.44Å; K804-N807 PolarHBondContact O-N 3.4Å; K804-Y808 PolarHBondContact O-N 2.97Å; K804-Y828 HydrophobicContact CB-CD2 4.4Å; K804-Y828 HydrophobicContact CB-CE2 4.31Å; K804-Y828 HydrophobicContact CD-CD2 4.38Å; K804-Y828 HydrophobicContact CD-CE1 3.94Å; K804-Y828 HydrophobicContact CD-CE2 3.75Å; K804-Y828 PolarHBondContact NZ-OH 2.95Å |
| 805 | V | 86 | Confident | 83.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 177.5 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | A731 T735 D801 L802 S803 Y808 I809 I825 L829 I832 | A731-V805 HydrophobicContact CB-CG1 4.18Å; T735-V805 VanDerWaalsContact OG1-CG1 3.24Å; T735-V805 WeakPolarHBondContact OG1-CG1 3.28Å; D801-V805 WeakPolarHBondContact O-CG2 3.13Å; D801-V805 PolarHBondContact O-N 3.24Å; L802-V805 PolarHBondContact O-N 3.38Å; S803-V805 PolarHBondContact O-N 2.82Å; V805-Y808 PolarHBondContact O-N 2.89Å; V805-I809 HydrophobicContact CG1-CD1 4.21Å; V805-I809 WeakPolarHBondContact O-CD1 3.26Å; V805-I809 VanDerWaalsContact O-CG1 3.28Å; V805-I809 WeakPolarHBondContact O-CG1 3.48Å; V805-I809 PolarHBondContact O-N 2.99Å; V805-I825 HydrophobicContact CG2-CG2 4.44Å; V805-L829 HydrophobicContact CG1-CD2 4.16Å; V805-L829 HydrophobicContact CG2-CD2 4.43Å; V805-I832 HydrophobicContact CG2-CD1 4.2Å |
| 806 | A | 85.8 | Confident | 82.6 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 8% | 0.083 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.7 | -38 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T735 I762 L802 S803 I809 S810 | T735-A806 HydrophobicContact CG2-CB 4.23Å; I762-A806 HydrophobicContact CD1-CB 3.55Å; L802-A806 WeakPolarHBondContact O-CB 3.32Å; L802-A806 PolarHBondContact O-N 2.88Å; S803-A806 PolarHBondContact O-N 3.37Å; A806-I809 PolarHBondContact O-N 3.44Å; A806-S810 WeakPolarHBondContact O-CB 3.27Å; A806-S810 PolarHBondContact O-N 3.04Å; A806-S810 PolarHBondContact O-OG 3.29Å |
| 807 | N | 84.9 | Confident | 81.3 | Confident | 91 Ų | 91 | 58 Ų | 58 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 173.7 | -72.2 | -22.1 | 0 | 0 | 0 | 111.1 | S803 K804 I809 S810 E811 | S803-N807 WeakPolarHBondContact O-CB 3.37Å; S803-N807 VanDerWaalsContact O-CG 3.31Å; S803-N807 PolarHBondContact O-N 3.41Å; S803-N807 PolarHBondContact O-ND2 3.07Å; K804-N807 PolarHBondContact O-N 3.4Å; N807-I809 VanDerWaalsContact C-N 3.31Å; N807-I809 PolarHBondContact O-N 3.4Å; N807-S810 WeakPolarHBondContact O-CB 3.44Å; N807-S810 PolarHBondContact O-N 3.19Å; N807-S810 VanDerWaalsContact O-N 3.07Å; N807-E811 WeakPolarHBondContact O-CG 3.47Å; N807-E811 PolarHBondContact O-N 3.21Å |
| 808 | Y | 83.8 | Confident | 79.9 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.3 | -45.1 | 173.5 | 169.7 | -100.4 | 0 | 0 | 0 | 112.4 | K804 V805 S810 E811 K812 V818 I825 | K804-Y808 PolarHBondContact O-N 2.97Å; V805-Y808 PolarHBondContact O-N 2.89Å; Y808-S810 VanDerWaalsContact C-N 3.33Å; Y808-S810 PolarHBondContact O-N 3.3Å; Y808-E811 PolarHBondContact O-N 3.35Å; Y808-K812 HydrophobicContact CE1-CD 3.86Å; Y808-K812 HydrophobicContact CE2-CD 3.97Å; Y808-K812 VanDerWaalsContact O-CB 3.25Å; Y808-K812 WeakPolarHBondContact O-CB 3.2Å; Y808-K812 PolarHBondContact O-N 3.48Å; Y808-K812 VanDerWaalsContact OH-CD 3.22Å; Y808-K812 WeakPolarHBondContact OH-CD 3.29Å; Y808-K812 PolarHBondContact OH-NZ 2.8Å; Y808-V818 HydrophobicContact CD2-CB 4.42Å; Y808-V818 HydrophobicContact CD2-CG1 4.04Å; Y808-V818 HydrophobicContact CD2-CG2 4.48Å; Y808-V818 HydrophobicContact CE2-CB 3.92Å; Y808-V818 HydrophobicContact CE2-CG1 3.79Å; Y808-V818 HydrophobicContact CE2-CG2 4.33Å; Y808-I825 HydrophobicContact CD1-CD1 3.54Å; Y808-I825 HydrophobicContact CD1-CG1 4.34Å; Y808-I825 HydrophobicContact CD2-CD1 3.17Å; Y808-I825 HydrophobicContact CD2-CG1 4.31Å; Y808-I825 HydrophobicContact CE1-CD1 3.57Å; Y808-I825 HydrophobicContact CE2-CD1 3.16Å; Y808-I825 HydrophobicContact CG-CD1 3.3Å; Y808-I825 HydrophobicContact CG-CG1 4.12Å |
| 809 | I | 84.4 | Confident | 78.2 | Confident | 22 Ų | 22 | 62.1 Ų | 62.1 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 176.3 | -69 | 161.5 | 0 | 0 | 0 | 110 | L728 A731 T732 T735 V805 A806 N807 E811 K812 V813 | L728-I809 HydrophobicContact CD1-CG1 4.45Å; L728-I809 HydrophobicContact CD1-CG2 4.19Å; A731-I809 HydrophobicContact CB-CD1 4.03Å; A731-I809 HydrophobicContact CB-CG1 3.96Å; T732-I809 HydrophobicContact CG2-CD1 4.09Å; T732-I809 HydrophobicContact CG2-CG1 4.19Å; T732-I809 HydrophobicContact CG2-CG2 3.62Å; T735-I809 HydrophobicContact CG2-CD1 4.36Å; T735-I809 WeakPolarHBondContact OG1-CD1 3.4Å; V805-I809 HydrophobicContact CG1-CD1 4.21Å; V805-I809 WeakPolarHBondContact O-CD1 3.26Å; V805-I809 VanDerWaalsContact O-CG1 3.28Å; V805-I809 WeakPolarHBondContact O-CG1 3.48Å; V805-I809 PolarHBondContact O-N 2.99Å; A806-I809 PolarHBondContact O-N 3.44Å; N807-I809 VanDerWaalsContact C-N 3.31Å; N807-I809 PolarHBondContact O-N 3.4Å; I809-E811 VanDerWaalsContact C-N 3.35Å; I809-E811 PolarHBondContact O-N 2.88Å; I809-K812 PolarHBondContact O-N 2.93Å; I809-V813 HydrophobicContact CG2-CG2 4.37Å; I809-V813 WeakPolarHBondContact O-CB 3.48Å; I809-V813 WeakPolarHBondContact O-CG2 3.31Å; I809-V813 PolarHBondContact O-N 2.89Å |
| 810 | S | 81.9 | Confident | 76.6 | Confident | 48 Ų | 48 | 68.8 Ų | 68.8 | 34% | 0.336 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | -178.6 | -60 | 0 | 0 | 0 | 0 | 112.1 | A806 N807 Y808 R814 | A806-S810 WeakPolarHBondContact O-CB 3.27Å; A806-S810 PolarHBondContact O-N 3.04Å; A806-S810 PolarHBondContact O-OG 3.29Å; N807-S810 WeakPolarHBondContact O-CB 3.44Å; N807-S810 PolarHBondContact O-N 3.19Å; N807-S810 VanDerWaalsContact O-N 3.07Å; Y808-S810 VanDerWaalsContact C-N 3.33Å; Y808-S810 PolarHBondContact O-N 3.3Å; S810-R814 WeakPolarHBondContact O-CB 3.3Å; S810-R814 VanDerWaalsContact O-CG 3.29Å; S810-R814 WeakPolarHBondContact O-CG 3.48Å; S810-R814 PolarHBondContact O-N 3.42Å; S810-R814 VanDerWaalsContact O-N 3.13Å |
| 811 | E | 80 | Confident | 75.3 | Confident | 106 Ų | 106 | 69.8 Ų | 69.8 | 50% | 0.495 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.5 | -49 | 174.6 | -73 | -166.4 | 165.1 | 0 | 0 | 111.4 | N807 Y808 I809 V813 R814 S815 V818 | N807-E811 WeakPolarHBondContact O-CG 3.47Å; N807-E811 PolarHBondContact O-N 3.21Å; Y808-E811 PolarHBondContact O-N 3.35Å; I809-E811 VanDerWaalsContact C-N 3.35Å; I809-E811 PolarHBondContact O-N 2.88Å; E811-V813 VanDerWaalsContact C-N 3.25Å; E811-V813 PolarHBondContact O-N 3.38Å; E811-R814 CarbonylContact O-C 3.5Å; E811-R814 WeakPolarHBondContact O-CA 3.31Å; E811-R814 PolarHBondContact O-N 3.23Å; E811-S815 PolarHBondContact O-N 3.25Å; E811-S815 PolarHBondContact O-OG 2.61Å; E811-V818 HydrophobicContact CB-CG2 4.41Å |
| 812 | K | 77.2 | Confident | 74.2 | Confident | 44 Ų | 44 | 73.2 Ų | 73.2 | 19% | 0.191 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.1 | -33.6 | -179.9 | -166.2 | 150.8 | -179.2 | 163.3 | 0 | 112.3 | L728 Y808 I809 G816 V818 E822 | L728-K812 HydrophobicContact CD1-CB 4.3Å; L728-K812 HydrophobicContact CD1-CG 4.38Å; Y808-K812 HydrophobicContact CE1-CD 3.86Å; Y808-K812 HydrophobicContact CE2-CD 3.97Å; Y808-K812 VanDerWaalsContact O-CB 3.25Å; Y808-K812 WeakPolarHBondContact O-CB 3.2Å; Y808-K812 PolarHBondContact O-N 3.48Å; Y808-K812 VanDerWaalsContact OH-CD 3.22Å; Y808-K812 WeakPolarHBondContact OH-CD 3.29Å; Y808-K812 PolarHBondContact OH-NZ 2.8Å; I809-K812 PolarHBondContact O-N 2.93Å; K812-G816 WeakPolarHBondContact O-CA 3.33Å; K812-G816 PolarHBondContact O-N 2.92Å; K812-V818 HydrophobicContact CB-CG2 4.34Å; K812-E822 IonicContact NZ-OE1 3.14Å; K812-E822 PolarHBondContact NZ-OE1 2.77Å; K812-E822 VanDerWaalsContact NZ-OE1 3.14Å |
| 813 | V | 79.6 | Confident | 73.2 | Confident | 102 Ų | 102 | 77.5 Ų | 77.5 | 62% | 0.618 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -70.4 | -32.2 | 172 | 171.4 | 0 | 0 | 0 | 0 | 112.4 | L728 I809 E811 | L728-V813 HydrophobicContact CD1-CG2 4.31Å; L728-V813 HydrophobicContact CD2-CG2 4.47Å; I809-V813 HydrophobicContact CG2-CG2 4.37Å; I809-V813 WeakPolarHBondContact O-CB 3.48Å; I809-V813 WeakPolarHBondContact O-CG2 3.31Å; I809-V813 PolarHBondContact O-N 2.89Å; E811-V813 VanDerWaalsContact C-N 3.25Å; E811-V813 PolarHBondContact O-N 3.38Å |
| 814 | R | 75.3 | Confident | 72.7 | Confident | 225 Ų | 225 | 79.5 Ų | 79.5 | 85% | 0.849 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -86.1 | -47.9 | -179.4 | -77.8 | 179 | 178.5 | -179 | 2.1 | 114.3 | S810 E811 | S810-R814 WeakPolarHBondContact O-CB 3.3Å; S810-R814 VanDerWaalsContact O-CG 3.29Å; S810-R814 WeakPolarHBondContact O-CG 3.48Å; S810-R814 PolarHBondContact O-N 3.42Å; S810-R814 VanDerWaalsContact O-N 3.13Å; E811-R814 CarbonylContact O-C 3.5Å; E811-R814 WeakPolarHBondContact O-CA 3.31Å; E811-R814 PolarHBondContact O-N 3.23Å |
| 815 | S | 66.1 | Low | 72.4 | Confident | 74 Ų | 74 | 75.4 Ų | 75.4 | 52% | 0.517 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -100.2 | -13.7 | -169.6 | 66.3 | 0 | 0 | 0 | 0 | 113.8 | E811 N817 | E811-S815 PolarHBondContact O-N 3.25Å; E811-S815 PolarHBondContact O-OG 2.61Å; S815-N817 PolarHBondContact O-N 3.13Å; S815-N817 PolarHBondContact OG-O 3.42Å |
| 816 | G | 64.8 | Low | 72.2 | Confident | 52 Ų | 52 | 78.6 Ų | 78.6 | 54% | 0.536 | 42% | 0.416 | S | S | . | . | S | Bend | trans | 67.5 | -15.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | K812 | K812-G816 WeakPolarHBondContact O-CA 3.33Å; K812-G816 PolarHBondContact O-N 2.92Å |
| 817 | N | 58 | Low | 72.1 | Confident | 111 Ų | 111 | 80.7 Ų | 80.7 | 59% | 0.594 | 43% | 0.433 | S | S | * | . | trans | -132.5 | 110.6 | -174.5 | -84.2 | -19.2 | 0 | 0 | 0 | 110.6 | S815 F819 | S815-N817 PolarHBondContact O-N 3.13Å; S815-N817 PolarHBondContact OG-O 3.42Å; N817-F819 HydrophobicContact CB-CD2 4.31Å; N817-F819 HydrophobicContact CB-CE2 3.9Å | ||
| 818 | V | 53.4 | Low | 72.2 | Confident | 25 Ų | 25 | 79.2 Ų | 79.2 | 15% | 0.152 | 42% | 0.422 | C | S | . | . | trans | -130.8 | 110 | 164.8 | -176.3 | 0 | 0 | 0 | 0 | 106.3 | Y808 E811 K812 E821 | Y808-V818 HydrophobicContact CD2-CB 4.42Å; Y808-V818 HydrophobicContact CD2-CG1 4.04Å; Y808-V818 HydrophobicContact CD2-CG2 4.48Å; Y808-V818 HydrophobicContact CE2-CB 3.92Å; Y808-V818 HydrophobicContact CE2-CG1 3.79Å; Y808-V818 HydrophobicContact CE2-CG2 4.33Å; E811-V818 HydrophobicContact CB-CG2 4.41Å; K812-V818 HydrophobicContact CB-CG2 4.34Å; V818-E821 HydrophobicContact CG1-CB 4.4Å | ||
| 819 | F | 52.1 | Low | 72.4 | Confident | 167 Ų | 167 | 79.2 Ų | 79.2 | 73% | 0.732 | 42% | 0.422 | S | S | * | . | trans | -95.9 | -23 | -169.9 | -81.1 | -79.4 | 0 | 0 | 0 | 114.7 | N817 | N817-F819 HydrophobicContact CB-CD2 4.31Å; N817-F819 HydrophobicContact CB-CE2 3.9Å | ||
| 820 | D | 52.3 | Low | 72.5 | Confident | 150 Ų | 150 | 83.1 Ų | 83.1 | 80% | 0.802 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -116 | -0.5 | -164.2 | -75.2 | -36 | 0 | 0 | 0 | 116.9 | ||
| 821 | E | 61.8 | Low | 72.9 | Confident | 92 Ų | 92 | 84.1 Ų | 84.1 | 43% | 0.43 | 44% | 0.437 | S | S | . | . | trans | -110.9 | 2.5 | -171.2 | -64.1 | -167.4 | 165.1 | 0 | 0 | 116.2 | V818 S823 D824 I825 | V818-E821 HydrophobicContact CG1-CB 4.4Å; E821-S823 VanDerWaalsContact C-N 3.31Å; E821-S823 PolarHBondContact O-N 2.96Å; E821-D824 PolarHBondContact O-N 3.26Å; E821-I825 HydrophobicContact CB-CD1 4.13Å; E821-I825 VanDerWaalsContact O-CD1 3.29Å; E821-I825 WeakPolarHBondContact O-CD1 3.3Å; E821-I825 WeakPolarHBondContact O-CG1 3.43Å; E821-I825 PolarHBondContact O-N 3.4Å; E821-I825 VanDerWaalsContact O-N 3.16Å | ||
| 822 | E | 65.9 | Low | 73.4 | Confident | 93 Ų | 93 | 79.1 Ų | 79.1 | 44% | 0.435 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.8 | -34.4 | -171 | -64.1 | -160.9 | 153.3 | 0 | 0 | 114.2 | L727 K812 Q826 | L727-E822 HydrophobicContact CD2-CB 3.93Å; L727-E822 HydrophobicContact CD2-CG 3.83Å; K812-E822 IonicContact NZ-OE1 3.14Å; K812-E822 PolarHBondContact NZ-OE1 2.77Å; K812-E822 VanDerWaalsContact NZ-OE1 3.14Å; E822-Q826 PolarHBondContact O-N 2.91Å |
| 823 | S | 67.6 | Low | 74 | Confident | 90 Ų | 90 | 78.1 Ų | 78.1 | 63% | 0.629 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -71.4 | -36 | 178.8 | 72.1 | 0 | 0 | 0 | 0 | 113 | E821 Q826 A827 | E821-S823 VanDerWaalsContact C-N 3.31Å; E821-S823 PolarHBondContact O-N 2.96Å; S823-Q826 PolarHBondContact O-N 3Å; S823-A827 PolarHBondContact O-N 3.21Å |
| 824 | D | 79.3 | Confident | 74.5 | Confident | 76 Ų | 76 | 77.2 Ų | 77.2 | 41% | 0.406 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.5 | -39.3 | 178.1 | -69.8 | -25.4 | 0 | 0 | 0 | 110.8 | E821 Q826 A827 Y828 | E821-D824 PolarHBondContact O-N 3.26Å; D824-Q826 VanDerWaalsContact C-N 3.34Å; D824-Q826 PolarHBondContact O-N 3.13Å; D824-A827 WeakPolarHBondContact O-CA 3.42Å; D824-A827 WeakPolarHBondContact O-CB 3.46Å; D824-A827 PolarHBondContact O-N 3.11Å; D824-Y828 HydrophobicContact CB-CD2 4.42Å; D824-Y828 HydrophobicContact CB-CE2 3.85Å; D824-Y828 WeakPolarHBondContact O-CD2 3.47Å; D824-Y828 VanDerWaalsContact O-CG 3.32Å; D824-Y828 PolarHBondContact O-N 3.02Å |
| 825 | I | 81.1 | Confident | 75.3 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.015 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 178.2 | -65.4 | 154.6 | 0 | 0 | 0 | 111.6 | V805 Y808 E821 A827 Y828 L829 | V805-I825 HydrophobicContact CG2-CG2 4.44Å; Y808-I825 HydrophobicContact CD1-CD1 3.54Å; Y808-I825 HydrophobicContact CD1-CG1 4.34Å; Y808-I825 HydrophobicContact CD2-CD1 3.17Å; Y808-I825 HydrophobicContact CD2-CG1 4.31Å; Y808-I825 HydrophobicContact CE1-CD1 3.57Å; Y808-I825 HydrophobicContact CE2-CD1 3.16Å; Y808-I825 HydrophobicContact CG-CD1 3.3Å; Y808-I825 HydrophobicContact CG-CG1 4.12Å; E821-I825 HydrophobicContact CB-CD1 4.13Å; E821-I825 VanDerWaalsContact O-CD1 3.29Å; E821-I825 WeakPolarHBondContact O-CD1 3.3Å; E821-I825 WeakPolarHBondContact O-CG1 3.43Å; E821-I825 PolarHBondContact O-N 3.4Å; E821-I825 VanDerWaalsContact O-N 3.16Å; I825-A827 VanDerWaalsContact C-N 3.27Å; I825-A827 PolarHBondContact O-N 3.4Å; I825-Y828 PolarHBondContact O-N 2.94Å; I825-L829 HydrophobicContact CG2-CD1 4.09Å; I825-L829 HydrophobicContact CG2-CG 4.36Å; I825-L829 WeakPolarHBondContact O-CB 3.14Å; I825-L829 VanDerWaalsContact O-CG 3.27Å; I825-L829 WeakPolarHBondContact O-CG 3.49Å; I825-L829 PolarHBondContact O-N 3.5Å |
| 826 | Q | 81.1 | Confident | 76.4 | Confident | 67 Ų | 67 | 63.3 Ų | 63.3 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.5 | -33.1 | 174.8 | -71.2 | -171.8 | 2.5 | 0 | 0 | 112.5 | A721 E822 S823 D824 K830 | A721-Q826 PolarHBondContact O-NE2 3.42Å; E822-Q826 PolarHBondContact O-N 2.91Å; S823-Q826 PolarHBondContact O-N 3Å; D824-Q826 VanDerWaalsContact C-N 3.34Å; D824-Q826 PolarHBondContact O-N 3.13Å; Q826-K830 WeakPolarHBondContact O-CG 3.44Å; Q826-K830 PolarHBondContact O-N 3.1Å; Q826-K830 VanDerWaalsContact O-N 3.17Å |
| 827 | A | 84.6 | Confident | 77.6 | Confident | 53 Ų | 53 | 62.1 Ų | 62.1 | 44% | 0.438 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.1 | -46.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S823 D824 I825 L829 K830 H831 | S823-A827 PolarHBondContact O-N 3.21Å; D824-A827 WeakPolarHBondContact O-CA 3.42Å; D824-A827 WeakPolarHBondContact O-CB 3.46Å; D824-A827 PolarHBondContact O-N 3.11Å; I825-A827 VanDerWaalsContact C-N 3.27Å; I825-A827 PolarHBondContact O-N 3.4Å; A827-L829 PolarHBondContact O-N 3Å; A827-K830 PolarHBondContact O-N 3.33Å; A827-H831 PolarHBondContact O-N 3.4Å |
| 828 | Y | 87.1 | Confident | 79 | Confident | 61 Ų | 61 | 60.7 Ų | 60.7 | 24% | 0.239 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 174.8 | -63.7 | -41.6 | 0 | 0 | 0 | 111.9 | D801 K804 D824 I825 K830 H831 I832 | D801-Y828 HydrophobicContact CB-CD1 3.9Å; D801-Y828 HydrophobicContact CB-CG 4.22Å; D801-Y828 WeakPolarHBondContact OD1-CD1 3.46Å; D801-Y828 VanDerWaalsContact OD1-CE1 3.29Å; D801-Y828 WeakPolarHBondContact OD1-CE1 3.29Å; K804-Y828 HydrophobicContact CB-CD2 4.4Å; K804-Y828 HydrophobicContact CB-CE2 4.31Å; K804-Y828 HydrophobicContact CD-CD2 4.38Å; K804-Y828 HydrophobicContact CD-CE1 3.94Å; K804-Y828 HydrophobicContact CD-CE2 3.75Å; K804-Y828 PolarHBondContact NZ-OH 2.95Å; D824-Y828 HydrophobicContact CB-CD2 4.42Å; D824-Y828 HydrophobicContact CB-CE2 3.85Å; D824-Y828 WeakPolarHBondContact O-CD2 3.47Å; D824-Y828 VanDerWaalsContact O-CG 3.32Å; D824-Y828 PolarHBondContact O-N 3.02Å; I825-Y828 PolarHBondContact O-N 2.94Å; Y828-K830 VanDerWaalsContact C-N 3.34Å; Y828-K830 PolarHBondContact O-N 3.32Å; Y828-H831 PolarHBondContact O-N 3.03Å; Y828-I832 WeakPolarHBondContact O-CB 3.48Å; Y828-I832 WeakPolarHBondContact O-CD1 3.28Å; Y828-I832 VanDerWaalsContact O-CG1 3.25Å; Y828-I832 WeakPolarHBondContact O-CG1 3.36Å; Y828-I832 PolarHBondContact O-N 3.2Å |
| 829 | L | 86.6 | Confident | 80.7 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 177.5 | -76.4 | 178.1 | 0 | 0 | 0 | 113.3 | V718 A734 V805 I825 A827 L833 | V718-L829 HydrophobicContact CG2-CB 4.1Å; A734-L829 HydrophobicContact CB-CD2 3.65Å; V805-L829 HydrophobicContact CG1-CD2 4.16Å; V805-L829 HydrophobicContact CG2-CD2 4.43Å; I825-L829 HydrophobicContact CG2-CD1 4.09Å; I825-L829 HydrophobicContact CG2-CG 4.36Å; I825-L829 WeakPolarHBondContact O-CB 3.14Å; I825-L829 VanDerWaalsContact O-CG 3.27Å; I825-L829 WeakPolarHBondContact O-CG 3.49Å; I825-L829 PolarHBondContact O-N 3.5Å; A827-L829 PolarHBondContact O-N 3Å; L829-L833 WeakPolarHBondContact O-CB 3.19Å; L829-L833 PolarHBondContact O-N 2.96Å |
| 830 | K | 86.6 | Confident | 82.5 | Confident | 105 Ų | 105 | 53 Ų | 53 | 46% | 0.457 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.6 | -41 | 174.7 | -76.7 | 171.2 | -171.4 | 161 | 0 | 111.6 | V718 Q826 A827 Y828 L833 D834 | V718-K830 HydrophobicContact CG1-CG 4.24Å; Q826-K830 WeakPolarHBondContact O-CG 3.44Å; Q826-K830 PolarHBondContact O-N 3.1Å; Q826-K830 VanDerWaalsContact O-N 3.17Å; A827-K830 PolarHBondContact O-N 3.33Å; Y828-K830 VanDerWaalsContact C-N 3.34Å; Y828-K830 PolarHBondContact O-N 3.32Å; K830-L833 PolarHBondContact O-N 3.3Å; K830-D834 PolarHBondContact O-N 3.42Å |
| 831 | H | 90.2 | Very high | 84.2 | Confident | 69 Ų | 69 | 53.5 Ų | 53.5 | 32% | 0.319 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 178.1 | -174.3 | -133.2 | 0 | 0 | 0 | 111.5 | S796 V798 D801 A827 Y828 L833 D834 V835 | S796-H831 PolarHBondContact O-CE1 2.86Å; S796-H831 VanDerWaalsContact O-CE1 3.29Å; V798-H831 WeakPolarHBondContact CG2-CE1 3.25Å; D801-H831 IonicContact OD2-CE1 2.71Å; D801-H831 IonicContact OD2-CG 2.93Å; D801-H831 IonicContact OD2-ND1 3.17Å; D801-H831 PolarHBondContact OD2-ND1 3.34Å; A827-H831 PolarHBondContact O-N 3.4Å; Y828-H831 PolarHBondContact O-N 3.03Å; H831-L833 VanDerWaalsContact C-N 3.29Å; H831-L833 PolarHBondContact O-N 3.33Å; H831-D834 PolarHBondContact O-N 3.41Å; H831-V835 PolarHBondContact O-N 2.89Å |
| 832 | I | 91.1 | Very high | 85.3 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54 | -45.4 | 172.2 | -71.7 | 163.2 | 0 | 0 | 0 | 111.3 | L714 A738 F742 V798 D801 L802 V805 Y828 G836 | L714-I832 HydrophobicContact CD1-CG2 4.4Å; L714-I832 HydrophobicContact CD2-CG2 4.35Å; A738-I832 HydrophobicContact CB-CG2 3.41Å; A738-I832 VanDerWaalsContact CB-CG2 3.41Å; F742-I832 HydrophobicContact CE2-CG2 3.93Å; F742-I832 HydrophobicContact CZ-CG2 4.06Å; V798-I832 HydrophobicContact CG1-CB 4.31Å; V798-I832 HydrophobicContact CG1-CG1 3.83Å; D801-I832 HydrophobicContact CB-CD1 4.33Å; D801-I832 HydrophobicContact CB-CG1 4.24Å; L802-I832 HydrophobicContact CB-CD1 4.35Å; L802-I832 HydrophobicContact CD1-CD1 4.24Å; V805-I832 HydrophobicContact CG2-CD1 4.2Å; Y828-I832 WeakPolarHBondContact O-CB 3.48Å; Y828-I832 WeakPolarHBondContact O-CD1 3.28Å; Y828-I832 VanDerWaalsContact O-CG1 3.25Å; Y828-I832 WeakPolarHBondContact O-CG1 3.36Å; Y828-I832 PolarHBondContact O-N 3.2Å; I832-G836 PolarHBondContact O-N 3.42Å |
| 833 | L | 90.6 | Very high | 86.2 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.9 | -48.8 | 178.4 | 175.9 | 65.3 | 0 | 0 | 0 | 112.3 | L714 K715 V718 L829 K830 H831 V835 G836 I837 | L714-L833 HydrophobicContact CB-CD1 4.47Å; L714-L833 HydrophobicContact CD2-CD1 4.05Å; L714-L833 HydrophobicContact CG-CD1 3.88Å; K715-L833 HydrophobicContact CB-CD1 3.94Å; K715-L833 HydrophobicContact CG-CD1 4.47Å; K715-L833 HydrophobicContact CG-CD2 4.4Å; V718-L833 HydrophobicContact CB-CD2 4.09Å; V718-L833 HydrophobicContact CG1-CD2 3.98Å; V718-L833 HydrophobicContact CG2-CB 4.38Å; L829-L833 WeakPolarHBondContact O-CB 3.19Å; L829-L833 PolarHBondContact O-N 2.96Å; K830-L833 PolarHBondContact O-N 3.3Å; H831-L833 VanDerWaalsContact C-N 3.29Å; H831-L833 PolarHBondContact O-N 3.33Å; L833-V835 PolarHBondContact O-N 2.99Å; L833-G836 PolarHBondContact O-N 3.16Å; L833-I837 HydrophobicContact CD1-CD1 3.8Å; L833-I837 HydrophobicContact CD1-CG1 4.15Å; L833-I837 HydrophobicContact CG-CD1 3.89Å; L833-I837 VanDerWaalsContact O-CG1 3.25Å; L833-I837 WeakPolarHBondContact O-CG1 3.35Å; L833-I837 PolarHBondContact O-N 3.42Å |
| 834 | D | 90 | Very high | 86.9 | Confident | 84 Ų | 84 | 46 Ų | 46 | 45% | 0.449 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.1 | -46.4 | -177.5 | -173.7 | 42 | 0 | 0 | 0 | 111.3 | K830 H831 I837 Q838 | K830-D834 PolarHBondContact O-N 3.42Å; H831-D834 PolarHBondContact O-N 3.41Å; D834-I837 PolarHBondContact O-N 2.91Å; D834-Q838 VanDerWaalsContact O-CG 3.31Å; D834-Q838 WeakPolarHBondContact O-CG 3.25Å; D834-Q838 PolarHBondContact O-N 3.42Å; D834-Q838 PolarHBondContact OD1-NE2 3.07Å; D834-Q838 PolarHBondContact OD2-NE2 3.48Å |
| 835 | V | 90.3 | Very high | 86.7 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.8 | -38.2 | 178.4 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | I792 V798 H831 L833 I837 Q838 C839 | I792-V835 HydrophobicContact CG2-CG1 4.45Å; V798-V835 HydrophobicContact CB-CB 4.48Å; V798-V835 HydrophobicContact CB-CG1 4.32Å; V798-V835 HydrophobicContact CG2-CB 3.64Å; V798-V835 HydrophobicContact CG2-CG1 3.83Å; V798-V835 HydrophobicContact CG2-CG2 3.51Å; H831-V835 PolarHBondContact O-N 2.89Å; L833-V835 PolarHBondContact O-N 2.99Å; V835-I837 VanDerWaalsContact C-N 3.32Å; V835-I837 PolarHBondContact O-N 3.01Å; V835-Q838 PolarHBondContact O-N 3.48Å; V835-C839 WeakPolarHBondContact O-CB 3.29Å; V835-C839 PolarHBondContact O-N 2.93Å; V835-C839 PolarHBondContact O-SG 3.41Å; V835-C839 VanDerWaalsContact O-SG 3.33Å |
| 836 | G | 89.2 | Confident | 87 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.4 | -45.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I832 L833 R840 | I832-G836 PolarHBondContact O-N 3.42Å; L833-G836 PolarHBondContact O-N 3.16Å; G836-R840 WeakPolarHBondContact O-CB 3.22Å; G836-R840 PolarHBondContact O-N 3.35Å |
| 837 | I | 90 | Very high | 87.3 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -46.8 | 176.3 | -66.7 | 166.4 | 0 | 0 | 0 | 110.9 | E711 L833 D834 V835 R841 | E711-I837 HydrophobicContact CG-CG1 3.91Å; L833-I837 HydrophobicContact CD1-CD1 3.8Å; L833-I837 HydrophobicContact CD1-CG1 4.15Å; L833-I837 HydrophobicContact CG-CD1 3.89Å; L833-I837 VanDerWaalsContact O-CG1 3.25Å; L833-I837 WeakPolarHBondContact O-CG1 3.35Å; L833-I837 PolarHBondContact O-N 3.42Å; D834-I837 PolarHBondContact O-N 2.91Å; V835-I837 VanDerWaalsContact C-N 3.32Å; V835-I837 PolarHBondContact O-N 3.01Å; I837-R841 WeakPolarHBondContact O-CB 3.5Å; I837-R841 VanDerWaalsContact O-CG 3.28Å; I837-R841 WeakPolarHBondContact O-CG 3.4Å; I837-R841 PolarHBondContact O-N 3.21Å |
| 838 | Q | 89.2 | Confident | 87.5 | Confident | 81 Ų | 81 | 48.1 Ų | 48.1 | 38% | 0.379 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.4 | -48.1 | -179.7 | -71.4 | 177.8 | 25.3 | 0 | 0 | 111.6 | I792 D834 V835 R841 Q842 | I792-Q838 HydrophobicContact CG2-CB 4.45Å; D834-Q838 VanDerWaalsContact O-CG 3.31Å; D834-Q838 WeakPolarHBondContact O-CG 3.25Å; D834-Q838 PolarHBondContact O-N 3.42Å; D834-Q838 PolarHBondContact OD1-NE2 3.07Å; D834-Q838 PolarHBondContact OD2-NE2 3.48Å; V835-Q838 PolarHBondContact O-N 3.48Å; Q838-R841 PolarHBondContact O-N 2.8Å; Q838-Q842 WeakPolarHBondContact O-CG 3.29Å; Q838-Q842 PolarHBondContact O-N 2.81Å |
| 839 | C | 88.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | 179.8 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | I745 A789 I792 V835 R841 Q842 L843 | I745-C839 HydrophobicContact CD1-CB 3.25Å; I745-C839 HydrophobicContact CG1-CB 3.97Å; I745-C839 HydrophobicContact CG2-CB 4.34Å; A789-C839 WeakPolarHBondContact CB-O 3.27Å; I792-C839 VanDerWaalsContact CG2-SG 3.55Å; V835-C839 WeakPolarHBondContact O-CB 3.29Å; V835-C839 PolarHBondContact O-N 2.93Å; V835-C839 PolarHBondContact O-SG 3.41Å; V835-C839 VanDerWaalsContact O-SG 3.33Å; C839-R841 PolarHBondContact O-N 3.14Å; C839-Q842 PolarHBondContact O-N 3.13Å; C839-L843 WeakPolarHBondContact O-CB 3.47Å; C839-L843 PolarHBondContact O-N 2.97Å |
| 840 | R | 89.4 | Confident | 87.6 | Confident | 30 Ų | 30 | 50.2 Ų | 50.2 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 176.9 | -173 | -157.1 | 58.7 | 90.6 | -4.4 | 111.6 | N704 A707 E711 G836 Q842 L843 Y844 | N704-R840 PolarHBondContact OD1-NH1 2.83Å; A707-R840 HydrophobicContact CB-CG 3.76Å; E711-R840 IonicContact OE2-CZ 2.66Å; E711-R840 IonicContact OE2-NE 3.65Å; E711-R840 PolarHBondContact OE2-NE 3.43Å; E711-R840 IonicContact OE2-NH2 2.75Å; E711-R840 PolarHBondContact OE2-NH2 3.18Å; G836-R840 WeakPolarHBondContact O-CB 3.22Å; G836-R840 PolarHBondContact O-N 3.35Å; R840-Q842 PolarHBondContact O-N 3.26Å; R840-L843 PolarHBondContact O-N 2.76Å; R840-Y844 HydrophobicContact CG-CD2 3.97Å; R840-Y844 HydrophobicContact CG-CE2 4.35Å; R840-Y844 PolarHBondContact O-N 2.93Å; R840-Y844 VanDerWaalsContact O-N 3.12Å |
| 841 | R | 88 | Confident | 87.6 | Confident | 160 Ų | 160 | 46.5 Ų | 46.5 | 60% | 0.604 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -57.5 | -38.8 | 177.6 | -77.7 | 178.1 | -179 | -176 | 1.7 | 111.6 | I837 Q838 C839 A845 | I837-R841 WeakPolarHBondContact O-CB 3.5Å; I837-R841 VanDerWaalsContact O-CG 3.28Å; I837-R841 WeakPolarHBondContact O-CG 3.4Å; I837-R841 PolarHBondContact O-N 3.21Å; Q838-R841 PolarHBondContact O-N 2.8Å; C839-R841 PolarHBondContact O-N 3.14Å; R841-A845 WeakPolarHBondContact O-CB 3.5Å; R841-A845 PolarHBondContact O-N 3.49Å |
| 842 | Q | 85.7 | Confident | 87.4 | Confident | 80 Ų | 80 | 44.9 Ų | 44.9 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -76.6 | -34.6 | 177.2 | -67.7 | -65.2 | -19.5 | 0 | 0 | 112.9 | S785 T788 A789 I792 Q838 C839 R840 Y844 | S785-Q842 CarbonylContact C-O 3.58Å; S785-Q842 WeakPolarHBondContact CB-O 3.4Å; T788-Q842 HydrophobicContact CG2-CB 4.49Å; T788-Q842 HydrophobicContact CG2-CG 4.43Å; A789-Q842 HydrophobicContact CB-CB 4.15Å; I792-Q842 HydrophobicContact CD1-CB 4.21Å; I792-Q842 HydrophobicContact CD1-CG 3.58Å; Q838-Q842 WeakPolarHBondContact O-CG 3.29Å; Q838-Q842 PolarHBondContact O-N 2.81Å; C839-Q842 PolarHBondContact O-N 3.13Å; R840-Q842 PolarHBondContact O-N 3.26Å; Q842-Y844 VanDerWaalsContact C-N 3.3Å; Q842-Y844 PolarHBondContact O-N 3.27Å |
| 843 | L | 83.9 | Confident | 87.2 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -41.1 | 177.8 | -179.1 | 62.4 | 0 | 0 | 0 | 111.7 | R700 Q744 I745 S785 H786 A789 C839 R840 | R700-L843 PolarHBondContact NH2-O 2.89Å; Q744-L843 HydrophobicContact CG-CD2 4.3Å; I745-L843 HydrophobicContact CG1-CD2 4.26Å; S785-L843 WeakPolarHBondContact CB-O 3.31Å; S785-L843 PolarHBondContact OG-O 3.26Å; H786-L843 HydrophobicContact CB-CD1 4.05Å; A789-L843 HydrophobicContact CB-CB 4.01Å; C839-L843 WeakPolarHBondContact O-CB 3.47Å; C839-L843 PolarHBondContact O-N 2.97Å; R840-L843 PolarHBondContact O-N 2.76Å |
| 844 | Y | 83.5 | Confident | 86.9 | Confident | 33 Ų | 33 | 50.5 Ų | 50.5 | 13% | 0.129 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 11.7 | -177.7 | -64.5 | -69.3 | 0 | 0 | 0 | 114.9 | R700 A703 N704 A707 Q744 R840 Q842 | R700-Y844 HydrophobicContact CG-CD1 4.04Å; R700-Y844 HydrophobicContact CG-CE1 4.14Å; A703-Y844 HydrophobicContact CB-CE1 4.11Å; A703-Y844 VanDerWaalsContact CB-OH 3.31Å; A703-Y844 WeakPolarHBondContact CB-OH 3.48Å; N704-Y844 HydrophobicContact CB-CD1 3.68Å; N704-Y844 HydrophobicContact CB-CD2 3.87Å; N704-Y844 HydrophobicContact CB-CE1 3.99Å; N704-Y844 HydrophobicContact CB-CE2 4.16Å; N704-Y844 HydrophobicContact CB-CG 3.63Å; N704-Y844 WeakPolarHBondContact OD1-CD2 3.37Å; A707-Y844 HydrophobicContact CB-CD2 4.5Å; A707-Y844 HydrophobicContact CB-CE2 3.85Å; Q744-Y844 PolarHBondContact NE2-OH 2.89Å; R840-Y844 HydrophobicContact CG-CD2 3.97Å; R840-Y844 HydrophobicContact CG-CE2 4.35Å; R840-Y844 PolarHBondContact O-N 2.93Å; R840-Y844 VanDerWaalsContact O-N 3.12Å; Q842-Y844 VanDerWaalsContact C-N 3.3Å; Q842-Y844 PolarHBondContact O-N 3.27Å |
| 845 | A | 75.2 | Confident | 86.6 | Confident | 98 Ų | 98 | 47.5 Ų | 47.5 | 81% | 0.81 | 24% | 0.238 | S | C | * | . | trans | -59.5 | 0 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | R700 S785 R841 | R700-A845 PolarHBondContact NH2-OXT 2.78Å; S785-A845 WeakPolarHBondContact CB-OXT 3.41Å; R841-A845 WeakPolarHBondContact O-CB 3.5Å; R841-A845 PolarHBondContact O-N 3.49Å |
Retrieved 845 of 845 residues in 1257.8 ms
(Link to these results)