| 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 | 29.7 | Very low | 32.4 | Very low | 225 Ų | 225 | 156.6 Ų | 156.6 | 100% | 1.108 | 81% | 0.813 | S | S | * | * | 0 | 83.3 | 0 | -69.5 | 174.8 | -176.9 | 0 | 0 | 107.5 | |||||
| 2 | A | 27.4 | Very low | 33.1 | Very low | 100 Ų | 100 | 154.3 Ų | 154.3 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -104.2 | 107.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | R4 | A2-R4 PolarHBondContact O-N 2.7Š| ||
| 3 | Y | 26.2 | Very low | 32.9 | Very low | 219 Ų | 219 | 147.7 Ų | 147.7 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -67.7 | 111.9 | 173.8 | -69 | -89.4 | 0 | 0 | 0 | 108.1 | R5 | Y3-R5 PolarHBondContact O-N 2.98Š| ||
| 4 | R | 29.6 | Very low | 33 | Very low | 244 Ų | 244 | 146.9 Ų | 146.9 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -69.3 | 110.8 | 166 | -75.1 | -178.7 | 179.6 | 173.5 | -1.4 | 107.1 | A2 | A2-R4 PolarHBondContact O-N 2.7Š| ||
| 5 | R | 27.7 | Very low | 32.9 | Very low | 244 Ų | 244 | 150.1 Ų | 150.1 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -78.2 | 116 | 162.5 | -95.8 | -174.7 | 176 | -178.6 | -2.1 | 107 | Y3 S7 | Y3-R5 PolarHBondContact O-N 2.98Å; R5-S7 PolarHBondContact O-N 3.1Å | ||
| 6 | L | 30.8 | Very low | 32.9 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -62.4 | 123.5 | 164.2 | -68.5 | 160.6 | 0 | 0 | 0 | 107.5 | ||||
| 7 | S | 37.7 | Very low | 32.8 | Very low | 53 Ų | 53 | 148.5 Ų | 148.5 | 37% | 0.371 | 77% | 0.772 | S | S | . | * | trans | -70.1 | 138.3 | 166.3 | 165.2 | 0 | 0 | 0 | 0 | 108.7 | R5 T9 E12 | R5-S7 PolarHBondContact O-N 3.1Å; S7-T9 PolarHBondContact OG-N 3.35Å; S7-T9 PolarHBondContact OG-OG1 3.34Å; S7-E12 VanDerWaalsContact CB-OE2 3.29Å; S7-E12 WeakPolarHBondContact CB-OE2 3.45Å; S7-E12 VanDerWaalsContact OG-CB 3.23Å; S7-E12 WeakPolarHBondContact OG-CB 3.37Å; S7-E12 PolarHBondContact OG-OE2 2.73Å | ||
| 8 | M | 34.5 | Very low | 33 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 94% | 0.941 | 76% | 0.756 | S | S | * | * | trans | -102.7 | 23.2 | -177.5 | -62 | -173.7 | 78.2 | 0 | 0 | 112 | ||||
| 9 | T | 38.3 | Very low | 33.1 | Very low | 78 Ų | 78 | 141.9 Ų | 141.9 | 48% | 0.479 | 74% | 0.743 | S | S | . | * | S | Bend | trans | -120.1 | 122.6 | 178.1 | 36.3 | 0 | 0 | 0 | 0 | 110.1 | S7 G11 E12 | S7-T9 PolarHBondContact OG-N 3.35Å; S7-T9 PolarHBondContact OG-OG1 3.34Å; T9-G11 PolarHBondContact O-N 2.95Å; T9-E12 PolarHBondContact O-N 3.08Å; T9-E12 PolarHBondContact OG1-OE2 3.28Å |
| 10 | P | 36.1 | Very low | 33.6 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | 128.7 | 171.5 | -24.2 | 34 | 0 | 0 | 0 | 110.5 | ||
| 11 | G | 38.5 | Very low | 33.7 | Very low | 85 Ų | 85 | 138 Ų | 138 | 88% | 0.876 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.6 | -10.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | T9 | T9-G11 PolarHBondContact O-N 2.95Š|
| 12 | E | 40.3 | Very low | 34 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 60% | 0.598 | 71% | 0.706 | S | S | * | * | trans | -107.7 | 0.6 | 178.2 | -81.2 | -165.6 | 153.4 | 0 | 0 | 114.8 | S7 T9 L14 | S7-E12 VanDerWaalsContact CB-OE2 3.29Å; S7-E12 WeakPolarHBondContact CB-OE2 3.45Å; S7-E12 VanDerWaalsContact OG-CB 3.23Å; S7-E12 WeakPolarHBondContact OG-CB 3.37Å; S7-E12 PolarHBondContact OG-OE2 2.73Å; T9-E12 PolarHBondContact O-N 3.08Å; T9-E12 PolarHBondContact OG1-OE2 3.28Å; E12-L14 PolarHBondContact O-N 3.35Å | ||
| 13 | A | 31.5 | Very low | 34.6 | Very low | 69 Ų | 69 | 134.6 Ų | 134.6 | 57% | 0.57 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 117.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 14 | L | 34 | Very low | 35.2 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 71% | 0.712 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.1 | 64.9 | 176.7 | -61.2 | 161.9 | 0 | 0 | 0 | 117 | E12 T16 | E12-L14 PolarHBondContact O-N 3.35Å; L14-T16 HydrophobicContact CB-CG2 4.4Å; L14-T16 HydrophobicContact CD2-CG2 3.77Å; L14-T16 PolarHBondContact O-N 3.27Å |
| 15 | Q | 30.7 | Very low | 35.5 | Very low | 195 Ų | 195 | 124.5 Ų | 124.5 | 91% | 0.911 | 65% | 0.654 | S | S | * | * | trans | -66.1 | 69.2 | 138.6 | -75.7 | -175.7 | 8.5 | 0 | 0 | 109.5 | ||||
| 16 | T | 33.1 | Very low | 36 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 48% | 0.479 | 64% | 0.639 | S | S | . | * | trans | -70.1 | 132.9 | 152.2 | 48.4 | 0 | 0 | 0 | 0 | 106.3 | L14 I18 | L14-T16 HydrophobicContact CB-CG2 4.4Å; L14-T16 HydrophobicContact CD2-CG2 3.77Å; L14-T16 PolarHBondContact O-N 3.27Å; T16-I18 PolarHBondContact O-N 2.9Å | ||
| 17 | E | 32.2 | Very low | 36.8 | Very low | 196 Ų | 196 | 112.4 Ų | 112.4 | 92% | 0.916 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -62.7 | 59.5 | -168.9 | -63.8 | -179.2 | 151.8 | 0 | 0 | 114.8 | ||
| 18 | I | 35 | Very low | 37.2 | Very low | 92 Ų | 92 | 120.3 Ų | 120.3 | 47% | 0.472 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -138 | 104.6 | 160.8 | -51.3 | 176.9 | 0 | 0 | 0 | 105.3 | T16 E20 R22 R23 | T16-I18 PolarHBondContact O-N 2.9Å; I18-E20 PolarHBondContact O-N 3.41Å; I18-R22 HydrophobicContact CG2-CB 4.04Å; I18-R23 HydrophobicContact CG2-CG 4.14Å; I18-R23 PolarHBondContact O-NH2 2.7Å |
| 19 | P | 36.4 | Very low | 37.9 | Very low | 79 Ų | 79 | 116.2 Ų | 116.2 | 51% | 0.513 | 62% | 0.618 | S | S | . | * | trans | -52.3 | 133.2 | 178.5 | -20.7 | 29.6 | 0 | 0 | 0 | 109 | A21 R22 R23 | P19-A21 PolarHBondContact O-N 2.93Å; P19-R22 PolarHBondContact O-N 3.36Å; P19-R23 PolarHBondContact O-N 2.96Å | ||
| 20 | E | 42.7 | Very low | 39.2 | Very low | 139 Ų | 139 | 113.9 Ų | 113.9 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -47.6 | -31.3 | 178.1 | -72.3 | 174 | 137.5 | 0 | 0 | 112.4 | I18 R22 R23 M24 | I18-E20 PolarHBondContact O-N 3.41Å; E20-R22 PolarHBondContact O-N 3.37Å; E20-R23 PolarHBondContact O-N 3.13Å; E20-R23 VanDerWaalsContact O-N 3.17Å; E20-M24 WeakPolarHBondContact O-CG 3.37Å; E20-M24 PolarHBondContact O-N 3.02Å |
| 21 | A | 34.6 | Very low | 41 | Very low | 63 Ų | 63 | 108.7 Ų | 108.7 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -55.7 | -41.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P19 E25 | P19-A21 PolarHBondContact O-N 2.93Å; A21-E25 WeakPolarHBondContact O-CB 3.41Å; A21-E25 WeakPolarHBondContact O-CG 3.46Å; A21-E25 PolarHBondContact O-N 3.46Å |
| 22 | R | 35.9 | Very low | 43 | Very low | 170 Ų | 170 | 104.8 Ų | 104.8 | 64% | 0.642 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -76.6 | -27.9 | 176.3 | -75 | -167.6 | -169.9 | 179.6 | 5.1 | 113.1 | I18 P19 E20 | I18-R22 HydrophobicContact CG2-CB 4.04Å; P19-R22 PolarHBondContact O-N 3.36Å; E20-R22 PolarHBondContact O-N 3.37Å |
| 23 | R | 40.7 | Very low | 44.9 | Very low | 84 Ų | 84 | 98.7 Ų | 98.7 | 32% | 0.317 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -48.3 | 170.9 | -88 | -175.2 | -99.1 | 175.1 | -4.4 | 109.8 | I18 P19 E20 E25 N26 Y27 | I18-R23 HydrophobicContact CG2-CG 4.14Å; I18-R23 PolarHBondContact O-NH2 2.7Å; P19-R23 PolarHBondContact O-N 2.96Å; E20-R23 PolarHBondContact O-N 3.13Å; E20-R23 VanDerWaalsContact O-N 3.17Å; R23-E25 PolarHBondContact O-N 3.26Å; R23-N26 PolarHBondContact O-N 3.25Å; R23-Y27 WeakPolarHBondContact O-CD2 3.39Å |
| 24 | M | 38.1 | Very low | 47.1 | Very low | 117 Ų | 117 | 99.1 Ų | 99.1 | 58% | 0.576 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.6 | -29.9 | 178.1 | -68.5 | -175 | -170.4 | 0 | 0 | 114.1 | E20 N26 Y27 R28 | E20-M24 WeakPolarHBondContact O-CG 3.37Å; E20-M24 PolarHBondContact O-N 3.02Å; M24-N26 PolarHBondContact O-N 3.31Å; M24-Y27 PolarHBondContact O-N 2.88Å; M24-R28 PolarHBondContact O-N 3.21Å; M24-R28 VanDerWaalsContact O-N 3.14Å |
| 25 | E | 36.5 | Very low | 49.1 | Very low | 133 Ų | 133 | 97.6 Ų | 97.6 | 62% | 0.621 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.5 | -34.4 | 177.3 | -87 | 178.5 | 168.3 | 0 | 0 | 113.7 | A21 R23 Y27 | A21-E25 WeakPolarHBondContact O-CB 3.41Å; A21-E25 WeakPolarHBondContact O-CG 3.46Å; A21-E25 PolarHBondContact O-N 3.46Å; R23-E25 PolarHBondContact O-N 3.26Å; E25-Y27 VanDerWaalsContact C-N 3.29Å; E25-Y27 PolarHBondContact O-N 2.9Å |
| 26 | N | 38.4 | Very low | 51.5 | Low | 116 Ų | 116 | 90.2 Ų | 90.2 | 62% | 0.62 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70.7 | -26.7 | 175.8 | -92 | -11.9 | 0 | 0 | 0 | 112.9 | R23 M24 G30 | R23-N26 PolarHBondContact O-N 3.25Å; M24-N26 PolarHBondContact O-N 3.31Å; N26-G30 PolarHBondContact O-N 3.4Å |
| 27 | Y | 47.4 | Very low | 53.8 | Low | 36 Ų | 36 | 87.2 Ų | 87.2 | 14% | 0.141 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -83.9 | -31.2 | -179.6 | -83.2 | -90.8 | 0 | 0 | 0 | 112.4 | R23 M24 E25 S29 C32 H58 | R23-Y27 WeakPolarHBondContact O-CD2 3.39Å; M24-Y27 PolarHBondContact O-N 2.88Å; E25-Y27 VanDerWaalsContact C-N 3.29Å; E25-Y27 PolarHBondContact O-N 2.9Å; Y27-S29 PolarHBondContact O-N 2.89Å; Y27-C32 HydrophobicContact CD1-CB 3.35Å; Y27-C32 HydrophobicContact CE1-CB 2.99Å; Y27-C32 VanDerWaalsContact CE1-SG 3.53Å; Y27-C32 HydrophobicContact CE2-CB 4.49Å; Y27-C32 HydrophobicContact CG-CB 4.29Å; Y27-H58 HydrophobicContact CD1-CB 3.71Å; Y27-H58 AromaticContact CD1-CD2 3.72Å; Y27-H58 AromaticContact CD1-CG 3.39Å; Y27-H58 AromaticContact CD1-ND1 3.67Å; Y27-H58 HydrophobicContact CE1-CB 4.05Å; Y27-H58 PolarHBondContact O-CE1 3.25Å; Y27-H58 PolarHBondContact O-NE2 2.79Å |
| 28 | R | 45.5 | Very low | 56 | Low | 219 Ų | 219 | 79.3 Ų | 79.3 | 83% | 0.826 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -3.6 | -176.8 | -85.9 | -175.6 | 174.3 | -178.2 | -0.9 | 116.8 | M24 | M24-R28 PolarHBondContact O-N 3.21Å; M24-R28 VanDerWaalsContact O-N 3.14Å |
| 29 | S | 51.1 | Low | 57.8 | Low | 105 Ų | 105 | 79.5 Ų | 79.5 | 73% | 0.734 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -158.8 | -14.5 | 178.8 | 49.4 | 0 | 0 | 0 | 0 | 115.2 | Y27 | Y27-S29 PolarHBondContact O-N 2.89Š|
| 30 | G | 64.2 | Low | 59.5 | Low | 29 Ų | 29 | 83 Ų | 83 | 30% | 0.299 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -91.1 | 157.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N26 C32 | N26-G30 PolarHBondContact O-N 3.4Å; G30-C32 PolarHBondContact O-N 3.33Å |
| 31 | N | 74.9 | Confident | 61.2 | Low | 14 Ų | 14 | 80.3 Ų | 80.3 | 8% | 0.075 | 41% | 0.414 | C | S | . | . | trans | -80.5 | 97.2 | 166.5 | -176.3 | -16.5 | 0 | 0 | 0 | 108.7 | L33 L34 K78 E81 | N31-L33 PolarHBondContact O-N 3.26Å; N31-L33 WeakPolarHBondContact OD1-CB 3.33Å; N31-L33 PolarHBondContact OD1-N 2.99Å; N31-L34 HydrophobicContact CB-CD1 3.76Å; N31-L34 HydrophobicContact CB-CG 3.92Å; N31-L34 WeakPolarHBondContact O-CB 3.46Å; N31-L34 PolarHBondContact O-N 2.99Å; N31-K78 HydrophobicContact CB-CD 3.82Å; N31-K78 PolarHBondContact ND2-O 3.42Å; N31-E81 WeakPolarHBondContact ND2-CB 3.39Å; N31-E81 PolarHBondContact ND2-OE2 2.82Å; N31-E81 VanDerWaalsContact ND2-OE2 3.1Å | ||
| 32 | C | 78.9 | Confident | 63 | Low | 3 Ų | 3 | 84.3 Ų | 84.3 | 2% | 0.02 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -59.4 | -32.3 | -177.9 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | Y27 G30 L34 N35 Y36 | Y27-C32 HydrophobicContact CD1-CB 3.35Å; Y27-C32 HydrophobicContact CE1-CB 2.99Å; Y27-C32 VanDerWaalsContact CE1-SG 3.53Å; Y27-C32 HydrophobicContact CE2-CB 4.49Å; Y27-C32 HydrophobicContact CG-CB 4.29Å; G30-C32 PolarHBondContact O-N 3.33Å; C32-L34 PolarHBondContact O-N 3.49Å; C32-N35 WeakPolarHBondContact O-CB 3.37Å; C32-N35 PolarHBondContact O-N 3.42Å; C32-Y36 WeakPolarHBondContact O-CD2 3.34Å |
| 33 | L | 81.1 | Confident | 65 | Low | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -63.6 | -28 | 179.5 | -62.2 | 173.7 | 0 | 0 | 0 | 112.1 | N31 N35 Y36 F37 F44 V55 F59 F75 K78 L79 C82 L125 | N31-L33 PolarHBondContact O-N 3.26Å; N31-L33 WeakPolarHBondContact OD1-CB 3.33Å; N31-L33 PolarHBondContact OD1-N 2.99Å; L33-N35 PolarHBondContact O-N 3.08Å; L33-Y36 PolarHBondContact O-N 3.28Å; L33-F37 WeakPolarHBondContact O-CB 3.5Å; L33-F37 PolarHBondContact O-N 3.47Å; L33-F44 HydrophobicContact CB-CE1 4.01Å; L33-F44 HydrophobicContact CB-CZ 4.39Å; L33-F44 HydrophobicContact CD2-CE1 4.27Å; L33-F44 HydrophobicContact CD2-CZ 4.46Å; L33-V55 HydrophobicContact CD2-CG1 3.86Å; L33-F59 HydrophobicContact CD1-CE2 4.18Å; L33-F59 HydrophobicContact CD1-CZ 4.03Å; L33-F59 HydrophobicContact CD2-CE2 4.3Å; L33-F59 HydrophobicContact CG-CE2 4.14Å; L33-F59 HydrophobicContact CG-CZ 4.19Å; L33-F75 HydrophobicContact CD1-CD2 4.28Å; L33-F75 HydrophobicContact CD1-CE2 3.94Å; L33-K78 HydrophobicContact CD1-CB 4.23Å; L33-L79 HydrophobicContact CD1-CB 4.43Å; L33-L79 HydrophobicContact CD1-CD1 4.4Å; L33-C82 WeakPolarHBondContact CB-SG 3.47Å; L33-L125 HydrophobicContact CD2-CD2 4.41Å |
| 34 | L | 78.2 | Confident | 66.9 | Low | 78 Ų | 78 | 80.8 Ų | 80.8 | 41% | 0.408 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -62.3 | -27.3 | 177.6 | -75.6 | 175.3 | 0 | 0 | 0 | 113.1 | N31 C32 Y36 C82 | N31-L34 HydrophobicContact CB-CD1 3.76Å; N31-L34 HydrophobicContact CB-CG 3.92Å; N31-L34 WeakPolarHBondContact O-CB 3.46Å; N31-L34 PolarHBondContact O-N 2.99Å; C32-L34 PolarHBondContact O-N 3.49Å; L34-Y36 PolarHBondContact O-N 3.43Å; L34-C82 HydrophobicContact CD2-CB 4.21Å |
| 35 | N | 76.6 | Confident | 69 | Low | 103 Ų | 103 | 82 Ų | 82 | 55% | 0.551 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -68.8 | -23.8 | 179 | -64.1 | -30.4 | 0 | 0 | 0 | 111.8 | C32 L33 | C32-N35 WeakPolarHBondContact O-CB 3.37Å; C32-N35 PolarHBondContact O-N 3.42Å; L33-N35 PolarHBondContact O-N 3.08Å |
| 36 | Y | 80.6 | Confident | 71.2 | Confident | 40 Ų | 40 | 81.1 Ų | 81.1 | 16% | 0.157 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -17.2 | -175.3 | -57.5 | -80.9 | 0 | 0 | 0 | 112.6 | C32 L33 L34 F44 R45 F47 Q51 | C32-Y36 WeakPolarHBondContact O-CD2 3.34Å; L33-Y36 PolarHBondContact O-N 3.28Å; L34-Y36 PolarHBondContact O-N 3.43Å; Y36-F44 CarbonylContact O-C 3.59Å; Y36-F44 WeakPolarHBondContact O-CA 3.33Å; Y36-R45 WeakPolarHBondContact O-CB 3.37Å; Y36-R45 WeakPolarHBondContact O-CG 3.42Å; Y36-R45 PolarHBondContact O-N 2.96Å; Y36-F47 AromaticContact CD1-CD1 3.88Å; Y36-F47 HydrophobicContact CD1-CD1 3.88Å; Y36-F47 AromaticContact CD1-CE1 3.64Å; Y36-F47 HydrophobicContact CD1-CE1 3.64Å; Y36-F47 HydrophobicContact CD1-CZ 4.14Å; Y36-F47 HydrophobicContact CD2-CD1 4.27Å; Y36-F47 AromaticContact CD2-CE1 3.37Å; Y36-F47 HydrophobicContact CD2-CE1 3.37Å; Y36-F47 AromaticContact CD2-CZ 3.89Å; Y36-F47 HydrophobicContact CD2-CZ 3.89Å; Y36-F47 HydrophobicContact CE1-CD1 4.1Å; Y36-F47 HydrophobicContact CE1-CE1 4.12Å; Y36-F47 HydrophobicContact CE2-CD1 4.47Å; Y36-F47 AromaticContact CE2-CE1 3.88Å; Y36-F47 HydrophobicContact CE2-CE1 3.88Å; Y36-F47 AromaticContact CG-CD1 3.96Å; Y36-F47 HydrophobicContact CG-CD1 3.96Å; Y36-F47 AromaticContact CG-CE1 3.23Å; Y36-F47 HydrophobicContact CG-CE1 3.23Å; Y36-F47 HydrophobicContact CG-CE2 4.4Å; Y36-F47 AromaticContact CG-CZ 3.51Å; Y36-F47 HydrophobicContact CG-CZ 3.51Å; Y36-Q51 HydrophobicContact CE1-CG 4.41Å |
| 37 | F | 80.5 | Confident | 73.4 | Confident | 15 Ų | 15 | 75.7 Ų | 75.7 | 7% | 0.066 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 125.3 | 177.8 | -167.2 | -100.2 | 0 | 0 | 0 | 111.4 | L33 P39 K42 F44 C82 I83 | L33-F37 WeakPolarHBondContact O-CB 3.5Å; L33-F37 PolarHBondContact O-N 3.47Å; F37-P39 WeakPolarHBondContact O-CD 3.35Å; F37-K42 HydrophobicContact CZ-CB 4.04Å; F37-F44 HydrophobicContact CB-CD1 4.09Å; F37-F44 HydrophobicContact CB-CE1 3.9Å; F37-F44 AromaticContact CD2-CD1 3.99Å; F37-F44 HydrophobicContact CD2-CD1 3.99Å; F37-F44 HydrophobicContact CD2-CD2 4.38Å; F37-F44 AromaticContact CD2-CE1 3.78Å; F37-F44 HydrophobicContact CD2-CE1 3.78Å; F37-F44 HydrophobicContact CD2-CE2 4.19Å; F37-F44 HydrophobicContact CD2-CG 4.29Å; F37-F44 AromaticContact CD2-CZ 3.88Å; F37-F44 HydrophobicContact CD2-CZ 3.88Å; F37-F44 HydrophobicContact CG-CE1 4.33Å; F37-C82 HydrophobicContact CB-CB 4.08Å; F37-C82 HydrophobicContact CD1-CB 4.09Å; F37-C82 WeakPolarHBondContact CD1-O 3.46Å; F37-C82 HydrophobicContact CD2-CB 4.07Å; F37-C82 WeakPolarHBondContact CE1-O 3.42Å; F37-C82 HydrophobicContact CG-CB 3.81Å; F37-I83 HydrophobicContact CE2-CG1 4.32Å; F37-I83 HydrophobicContact CZ-CG1 4.23Å |
| 38 | D | 79 | Confident | 75.3 | Confident | 30 Ų | 30 | 76.4 Ų | 76.4 | 16% | 0.16 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 112.2 | 171.4 | -168.8 | -44.5 | 0 | 0 | 0 | 110.1 | N40 T41 K42 K43 R45 | D38-N40 PolarHBondContact O-N 2.93Å; D38-N40 WeakPolarHBondContact OD1-CB 3.31Å; D38-N40 PolarHBondContact OD1-N 3.47Å; D38-T41 WeakPolarHBondContact CB-OG1 3.45Å; D38-T41 PolarHBondContact O-N 2.71Å; D38-T41 PolarHBondContact OD1-N 2.82Å; D38-K42 WeakPolarHBondContact O-CA 3.35Å; D38-K42 PolarHBondContact O-N 3.2Å; D38-K43 WeakPolarHBondContact CB-O 3.07Å; D38-K43 PolarHBondContact N-O 3.42Å; D38-R45 IonicContact OD2-NE 3.58Å; D38-R45 IonicContact OD2-NH2 3.54Å |
| 39 | P | 72.8 | Confident | 77.2 | Confident | 96 Ų | 96 | 66 Ų | 66 | 62% | 0.623 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23.3 | -176.4 | -18.9 | 31.9 | 0 | 0 | 0 | 113.7 | F37 | F37-P39 WeakPolarHBondContact O-CD 3.35Š|
| 40 | N | 71.8 | Confident | 79 | Confident | 152 Ų | 152 | 62.5 Ų | 62.5 | 81% | 0.813 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -42.7 | -176.1 | -61.3 | -48.5 | 0 | 0 | 0 | 111.2 | D38 | D38-N40 PolarHBondContact O-N 2.93Å; D38-N40 WeakPolarHBondContact OD1-CB 3.31Å; D38-N40 PolarHBondContact OD1-N 3.47Å |
| 41 | T | 77.6 | Confident | 80.1 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 52% | 0.515 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -13.2 | 179.4 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | D38 K43 | D38-T41 WeakPolarHBondContact CB-OG1 3.45Å; D38-T41 PolarHBondContact O-N 2.71Å; D38-T41 PolarHBondContact OD1-N 2.82Å; T41-K43 PolarHBondContact O-N 3.23Å; T41-K43 PolarHBondContact OG1-N 3.12Å |
| 42 | K | 73.6 | Confident | 80.9 | Confident | 147 Ų | 147 | 63.1 Ų | 63.1 | 64% | 0.639 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 33.5 | -171.3 | -58.5 | -174.5 | 178.5 | -174.4 | 0 | 112.6 | F37 D38 | F37-K42 HydrophobicContact CZ-CB 4.04Å; D38-K42 WeakPolarHBondContact O-CA 3.35Å; D38-K42 PolarHBondContact O-N 3.2Å |
| 43 | K | 76.9 | Confident | 81.3 | Confident | 152 Ų | 152 | 63 Ų | 63 | 66% | 0.661 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 152.1 | 179 | -68.2 | -173 | 177.1 | -169.1 | 0 | 109.9 | D38 T41 | D38-K43 WeakPolarHBondContact CB-O 3.07Å; D38-K43 PolarHBondContact N-O 3.42Å; T41-K43 PolarHBondContact O-N 3.23Å; T41-K43 PolarHBondContact OG1-N 3.12Å |
| 44 | F | 80.6 | Confident | 81.7 | Confident | 28 Ų | 28 | 65.2 Ų | 65.2 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 144 | 167.7 | -72 | -71.8 | 0 | 0 | 0 | 111 | L33 Y36 F37 F47 L79 L124 L125 P126 | L33-F44 HydrophobicContact CB-CE1 4.01Å; L33-F44 HydrophobicContact CB-CZ 4.39Å; L33-F44 HydrophobicContact CD2-CE1 4.27Å; L33-F44 HydrophobicContact CD2-CZ 4.46Å; Y36-F44 CarbonylContact O-C 3.59Å; Y36-F44 WeakPolarHBondContact O-CA 3.33Å; F37-F44 HydrophobicContact CB-CD1 4.09Å; F37-F44 HydrophobicContact CB-CE1 3.9Å; F37-F44 AromaticContact CD2-CD1 3.99Å; F37-F44 HydrophobicContact CD2-CD1 3.99Å; F37-F44 HydrophobicContact CD2-CD2 4.38Å; F37-F44 AromaticContact CD2-CE1 3.78Å; F37-F44 HydrophobicContact CD2-CE1 3.78Å; F37-F44 HydrophobicContact CD2-CE2 4.19Å; F37-F44 HydrophobicContact CD2-CG 4.29Å; F37-F44 AromaticContact CD2-CZ 3.88Å; F37-F44 HydrophobicContact CD2-CZ 3.88Å; F37-F44 HydrophobicContact CG-CE1 4.33Å; F44-F47 HydrophobicContact CB-CE2 3.9Å; F44-F47 HydrophobicContact CD1-CE2 4.07Å; F44-F47 HydrophobicContact CD1-CZ 4.05Å; F44-F47 HydrophobicContact CG-CE2 4.15Å; F44-L79 HydrophobicContact CE2-CD1 3.84Å; F44-L79 HydrophobicContact CZ-CD1 3.66Å; F44-L124 HydrophobicContact CE2-CG 4.47Å; F44-L125 HydrophobicContact CD1-CD2 4.39Å; F44-L125 HydrophobicContact CD2-CD2 3.99Å; F44-L125 HydrophobicContact CE1-CD2 4.45Å; F44-L125 HydrophobicContact CE2-CD2 4.05Å; F44-L125 HydrophobicContact CG-CD2 4.18Å; F44-L125 HydrophobicContact CZ-CD2 4.28Å; F44-P126 HydrophobicContact CB-CG 3.79Å; F44-P126 WeakPolarHBondContact O-CG 3.33Å |
| 45 | R | 82.6 | Confident | 82.2 | Confident | 143 Ų | 143 | 61.5 Ų | 61.5 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 157 | 166.1 | -65 | 176 | 178.1 | 175.8 | 0.8 | 109.1 | Y36 D38 F47 | Y36-R45 WeakPolarHBondContact O-CB 3.37Å; Y36-R45 WeakPolarHBondContact O-CG 3.42Å; Y36-R45 PolarHBondContact O-N 2.96Å; D38-R45 IonicContact OD2-NE 3.58Å; D38-R45 IonicContact OD2-NH2 3.54Å; R45-F47 VanDerWaalsContact O-CD2 3.26Å; R45-F47 WeakPolarHBondContact O-CD2 3.4Å; R45-F47 WeakPolarHBondContact O-CE2 3.39Å; R45-F47 PolarHBondContact O-N 3.33Å |
| 46 | N | 82.2 | Confident | 82.8 | Confident | 114 Ų | 114 | 56.7 Ų | 56.7 | 61% | 0.61 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -58 | 132 | 177.1 | -90.8 | 31.2 | 0 | 0 | 0 | 111.4 | P126 | N46-P126 CarbonylContact C-O 3.59Å; N46-P126 VanDerWaalsContact CA-O 3.26Å; N46-P126 WeakPolarHBondContact CA-O 3.44Å |
| 47 | F | 85.4 | Confident | 83.1 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -91.6 | 145.1 | 169.8 | -67 | -100.5 | 0 | 0 | 0 | 109.5 | Y36 F44 R45 Q51 V55 L125 P126 T127 | Y36-F47 AromaticContact CD1-CD1 3.88Å; Y36-F47 HydrophobicContact CD1-CD1 3.88Å; Y36-F47 AromaticContact CD1-CE1 3.64Å; Y36-F47 HydrophobicContact CD1-CE1 3.64Å; Y36-F47 HydrophobicContact CD1-CZ 4.14Å; Y36-F47 HydrophobicContact CD2-CD1 4.27Å; Y36-F47 AromaticContact CD2-CE1 3.37Å; Y36-F47 HydrophobicContact CD2-CE1 3.37Å; Y36-F47 AromaticContact CD2-CZ 3.89Å; Y36-F47 HydrophobicContact CD2-CZ 3.89Å; Y36-F47 HydrophobicContact CE1-CD1 4.1Å; Y36-F47 HydrophobicContact CE1-CE1 4.12Å; Y36-F47 HydrophobicContact CE2-CD1 4.47Å; Y36-F47 AromaticContact CE2-CE1 3.88Å; Y36-F47 HydrophobicContact CE2-CE1 3.88Å; Y36-F47 AromaticContact CG-CD1 3.96Å; Y36-F47 HydrophobicContact CG-CD1 3.96Å; Y36-F47 AromaticContact CG-CE1 3.23Å; Y36-F47 HydrophobicContact CG-CE1 3.23Å; Y36-F47 HydrophobicContact CG-CE2 4.4Å; Y36-F47 AromaticContact CG-CZ 3.51Å; Y36-F47 HydrophobicContact CG-CZ 3.51Å; F44-F47 HydrophobicContact CB-CE2 3.9Å; F44-F47 HydrophobicContact CD1-CE2 4.07Å; F44-F47 HydrophobicContact CD1-CZ 4.05Å; F44-F47 HydrophobicContact CG-CE2 4.15Å; R45-F47 VanDerWaalsContact O-CD2 3.26Å; R45-F47 WeakPolarHBondContact O-CD2 3.4Å; R45-F47 WeakPolarHBondContact O-CE2 3.39Å; R45-F47 PolarHBondContact O-N 3.33Å; F47-Q51 HydrophobicContact CB-CB 4.33Å; F47-Q51 HydrophobicContact CD1-CB 4.03Å; F47-V55 HydrophobicContact CD1-CG2 4.49Å; F47-V55 HydrophobicContact CE1-CG2 3.97Å; F47-L125 HydrophobicContact CD2-CB 4.09Å; F47-L125 HydrophobicContact CE2-CB 4.05Å; F47-L125 HydrophobicContact CE2-CD1 4.5Å; F47-L125 HydrophobicContact CE2-CD2 3.79Å; F47-L125 HydrophobicContact CE2-CG 4.32Å; F47-L125 HydrophobicContact CZ-CD1 4.4Å; F47-L125 HydrophobicContact CZ-CD2 3.94Å; F47-P126 PolarHBondContact N-O 3.4Å; F47-T127 WeakPolarHBondContact O-CA 3.35Å |
| 48 | T | 86.7 | Confident | 83.5 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 31% | 0.307 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 161.5 | 160.1 | 83.3 | 0 | 0 | 0 | 0 | 109.6 | S50 Q51 F52 E192 | T48-S50 VanDerWaalsContact C-N 3.25Å; T48-S50 PolarHBondContact O-N 2.9Å; T48-S50 PolarHBondContact OG1-N 3.5Å; T48-Q51 PolarHBondContact O-N 3.23Å; T48-Q51 VanDerWaalsContact O-N 3.07Å; T48-Q51 PolarHBondContact OG1-N 3.33Å; T48-F52 PolarHBondContact O-N 3.34Å; T48-E192 VanDerWaalsContact CB-OE1 3.27Å; T48-E192 WeakPolarHBondContact CB-OE1 3.46Å; T48-E192 PolarHBondContact OG1-OE1 3.07Å |
| 49 | A | 86.5 | Confident | 84 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.3 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q51 F52 G53 F131 E192 Y193 T196 | A49-Q51 VanDerWaalsContact C-N 3.3Å; A49-Q51 PolarHBondContact O-N 2.91Å; A49-F52 WeakPolarHBondContact O-CB 3.26Å; A49-F52 PolarHBondContact O-N 3.05Å; A49-F52 VanDerWaalsContact O-N 3.14Å; A49-G53 PolarHBondContact O-N 3.09Å; A49-F131 HydrophobicContact CB-CB 4.24Å; A49-F131 HydrophobicContact CB-CD1 3.97Å; A49-F131 HydrophobicContact CB-CD2 3.59Å; A49-F131 HydrophobicContact CB-CE1 4.15Å; A49-F131 HydrophobicContact CB-CE2 3.82Å; A49-F131 HydrophobicContact CB-CG 3.67Å; A49-F131 HydrophobicContact CB-CZ 4.09Å; A49-E192 HydrophobicContact CB-CG 4.33Å; A49-E192 PolarHBondContact N-OE1 3.45Å; A49-Y193 HydrophobicContact CB-CD1 3.46Å; A49-Y193 VanDerWaalsContact CB-CD1 3.46Å; A49-Y193 HydrophobicContact CB-CE1 3.59Å; A49-T196 HydrophobicContact CB-CG2 4.19Å; A49-T196 WeakPolarHBondContact O-CG2 3.39Å |
| 50 | S | 87.7 | Confident | 84.8 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.1 | -41.6 | 177.3 | -157.6 | 0 | 0 | 0 | 0 | 112.8 | T48 G53 D54 E192 T196 | T48-S50 VanDerWaalsContact C-N 3.25Å; T48-S50 PolarHBondContact O-N 2.9Å; T48-S50 PolarHBondContact OG1-N 3.5Å; S50-G53 PolarHBondContact O-N 3.45Å; S50-D54 PolarHBondContact O-N 2.76Å; S50-E192 WeakPolarHBondContact CB-OE1 3.33Å; S50-E192 PolarHBondContact N-OE1 2.89Å; S50-T196 PolarHBondContact N-OG1 2.84Å |
| 51 | Q | 88.7 | Confident | 85.6 | Confident | 55 Ų | 55 | 51.3 Ų | 51.3 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.9 | -36.4 | 178.5 | -65.6 | 173.5 | -20.3 | 0 | 0 | 112.4 | Y36 F47 T48 A49 D54 V55 | Y36-Q51 HydrophobicContact CE1-CG 4.41Å; F47-Q51 HydrophobicContact CB-CB 4.33Å; F47-Q51 HydrophobicContact CD1-CB 4.03Å; T48-Q51 PolarHBondContact O-N 3.23Å; T48-Q51 VanDerWaalsContact O-N 3.07Å; T48-Q51 PolarHBondContact OG1-N 3.33Å; A49-Q51 VanDerWaalsContact C-N 3.3Å; A49-Q51 PolarHBondContact O-N 2.91Å; Q51-D54 PolarHBondContact O-N 3.43Å; Q51-V55 WeakPolarHBondContact O-CG2 3.36Å; Q51-V55 PolarHBondContact O-N 3Å |
| 52 | F | 90.2 | Very high | 86 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 173 | 178.9 | -87.2 | 0 | 0 | 0 | 110.5 | T48 A49 D54 V55 W56 I118 L121 A122 L125 T127 F131 L200 | T48-F52 PolarHBondContact O-N 3.34Å; A49-F52 WeakPolarHBondContact O-CB 3.26Å; A49-F52 PolarHBondContact O-N 3.05Å; A49-F52 VanDerWaalsContact O-N 3.14Å; F52-D54 VanDerWaalsContact C-N 3.35Å; F52-D54 PolarHBondContact O-N 3.11Å; F52-V55 PolarHBondContact O-N 3.39Å; F52-W56 PolarHBondContact O-N 2.9Å; F52-I118 HydrophobicContact CE1-CD1 4.11Å; F52-I118 HydrophobicContact CE1-CG1 3.8Å; F52-I118 HydrophobicContact CZ-CG1 4.06Å; F52-L121 HydrophobicContact CE2-CB 4.49Å; F52-L121 HydrophobicContact CE2-CD2 4.16Å; F52-L121 HydrophobicContact CE2-CG 4.1Å; F52-L121 HydrophobicContact CZ-CB 4.32Å; F52-L121 HydrophobicContact CZ-CD2 4.17Å; F52-L121 HydrophobicContact CZ-CG 4.3Å; F52-A122 HydrophobicContact CE2-CB 4.34Å; F52-A122 HydrophobicContact CZ-CB 4.12Å; F52-L125 HydrophobicContact CD2-CB 4.1Å; F52-L125 HydrophobicContact CD2-CD1 4.03Å; F52-L125 HydrophobicContact CE2-CB 4.19Å; F52-L125 HydrophobicContact CE2-CD1 4.16Å; F52-T127 HydrophobicContact CB-CG2 4.07Å; F52-T127 WeakPolarHBondContact CD2-OG1 3.31Å; F52-F131 HydrophobicContact CB-CE1 4.41Å; F52-F131 AromaticContact CD1-CE1 3.75Å; F52-F131 HydrophobicContact CD1-CE1 3.75Å; F52-F131 HydrophobicContact CD1-CZ 4.39Å; F52-F131 HydrophobicContact CE1-CE1 4.32Å; F52-F131 HydrophobicContact CG-CE1 4.2Å; F52-L200 HydrophobicContact CD1-CD1 4.49Å |
| 53 | G | 88.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A49 S50 V55 W56 N57 | A49-G53 PolarHBondContact O-N 3.09Å; S50-G53 PolarHBondContact O-N 3.45Å; G53-V55 VanDerWaalsContact C-N 3.33Å; G53-V55 PolarHBondContact O-N 3.33Å; G53-W56 PolarHBondContact O-N 3.34Å; G53-N57 WeakPolarHBondContact O-CB 3.41Å; G53-N57 PolarHBondContact O-N 2.87Å |
| 54 | D | 88.1 | Confident | 86.8 | Confident | 48 Ų | 48 | 41.8 Ų | 41.8 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.9 | -37 | 176.2 | -72.8 | -11.9 | 0 | 0 | 0 | 112.2 | S50 Q51 F52 H58 K199 | S50-D54 PolarHBondContact O-N 2.76Å; Q51-D54 PolarHBondContact O-N 3.43Å; F52-D54 VanDerWaalsContact C-N 3.35Å; F52-D54 PolarHBondContact O-N 3.11Å; D54-H58 WeakPolarHBondContact O-CB 3.35Å; D54-H58 PolarHBondContact O-N 3.14Å; D54-K199 IonicContact OD1-NZ 2.66Å |
| 55 | V | 89 | Confident | 87 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.3 | -44.7 | 175.9 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | L33 F47 Q51 F52 G53 H58 F59 L125 | L33-V55 HydrophobicContact CD2-CG1 3.86Å; F47-V55 HydrophobicContact CD1-CG2 4.49Å; F47-V55 HydrophobicContact CE1-CG2 3.97Å; Q51-V55 WeakPolarHBondContact O-CG2 3.36Å; Q51-V55 PolarHBondContact O-N 3Å; F52-V55 PolarHBondContact O-N 3.39Å; G53-V55 VanDerWaalsContact C-N 3.33Å; G53-V55 PolarHBondContact O-N 3.33Å; V55-H58 WeakPolarHBondContact O-CB 3.33Å; V55-H58 PolarHBondContact O-N 3.09Å; V55-F59 HydrophobicContact CG1-CD2 4.01Å; V55-F59 HydrophobicContact CG1-CE2 3.88Å; V55-F59 WeakPolarHBondContact O-CD2 3.46Å; V55-F59 PolarHBondContact O-N 3.32Å; V55-L125 HydrophobicContact CB-CD1 4.48Å; V55-L125 HydrophobicContact CG1-CD1 3.89Å |
| 56 | W | 89.6 | Confident | 87.3 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56 | -57.2 | 176.8 | 178.6 | -89.9 | 0 | 0 | 0 | 111.1 | F52 G53 H58 F59 D60 G65 I67 I116 I118 L121 L200 | F52-W56 PolarHBondContact O-N 2.9Å; G53-W56 PolarHBondContact O-N 3.34Å; W56-H58 PolarHBondContact O-N 3.39Å; W56-F59 PolarHBondContact O-N 3.21Å; W56-D60 HydrophobicContact CZ2-CB 4.3Å; W56-D60 PolarHBondContact NE1-OD2 3.19Å; W56-D60 PolarHBondContact O-N 3.49Å; W56-G65 WeakPolarHBondContact CZ2-O 3.21Å; W56-I67 HydrophobicContact CE3-CD1 4.1Å; W56-I67 HydrophobicContact CH2-CD1 4.45Å; W56-I67 HydrophobicContact CH2-CG1 4.21Å; W56-I67 HydrophobicContact CZ3-CD1 3.89Å; W56-I67 HydrophobicContact CZ3-CG1 4.15Å; W56-I116 WeakPolarHBondContact CH2-O 3.46Å; W56-I118 HydrophobicContact CD2-CB 4.47Å; W56-I118 HydrophobicContact CD2-CD1 4.44Å; W56-I118 HydrophobicContact CD2-CG1 4.22Å; W56-I118 HydrophobicContact CE3-CB 4.16Å; W56-I118 HydrophobicContact CE3-CG1 4.02Å; W56-I118 HydrophobicContact CH2-CB 3.96Å; W56-I118 HydrophobicContact CZ2-CB 4.22Å; W56-I118 HydrophobicContact CZ3-CB 3.94Å; W56-I118 HydrophobicContact CZ3-CG1 4.3Å; W56-L121 HydrophobicContact CB-CD2 4.49Å; W56-L121 HydrophobicContact CE3-CB 4.07Å; W56-L121 HydrophobicContact CE3-CD2 3.54Å; W56-L121 HydrophobicContact CE3-CG 4.42Å; W56-L121 HydrophobicContact CZ3-CB 3.95Å; W56-L121 HydrophobicContact CZ3-CD2 4.18Å; W56-L200 HydrophobicContact CB-CD2 3.61Å; W56-L200 VanDerWaalsContact CD1-CD2 3.4Å; W56-L200 HydrophobicContact CD2-CD2 4.43Å; W56-L200 HydrophobicContact CG-CD2 3.49Å; W56-L200 VanDerWaalsContact CG-CD2 3.49Å |
| 57 | N | 87.7 | Confident | 87.8 | Confident | 63 Ų | 63 | 32.2 Ų | 32.2 | 34% | 0.337 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.5 | -13.8 | -178.9 | -72.8 | -13.9 | 0 | 0 | 0 | 114.1 | G53 K199 | G53-N57 WeakPolarHBondContact O-CB 3.41Å; G53-N57 PolarHBondContact O-N 2.87Å; N57-K199 PolarHBondContact ND2-O 3.43Å; N57-K199 PolarHBondContact OD1-O 3.01Å |
| 58 | H | 88.4 | Confident | 88.1 | Confident | 29 Ų | 29 | 33.6 Ų | 33.6 | 13% | 0.134 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -77.6 | -35.4 | 172.7 | 179.8 | 54.9 | 0 | 0 | 0 | 112.4 | Y27 D54 V55 W56 | Y27-H58 HydrophobicContact CD1-CB 3.71Å; Y27-H58 AromaticContact CD1-CD2 3.72Å; Y27-H58 AromaticContact CD1-CG 3.39Å; Y27-H58 AromaticContact CD1-ND1 3.67Å; Y27-H58 HydrophobicContact CE1-CB 4.05Å; Y27-H58 PolarHBondContact O-CE1 3.25Å; Y27-H58 PolarHBondContact O-NE2 2.79Å; D54-H58 WeakPolarHBondContact O-CB 3.35Å; D54-H58 PolarHBondContact O-N 3.14Å; V55-H58 WeakPolarHBondContact O-CB 3.33Å; V55-H58 PolarHBondContact O-N 3.09Å; W56-H58 PolarHBondContact O-N 3.39Å |
| 59 | F | 89.3 | Confident | 88.3 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -93.2 | -42.5 | -177.3 | -68.4 | -66 | 0 | 0 | 0 | 111.9 | L33 V55 W56 Q61 I67 E71 F75 K78 | L33-F59 HydrophobicContact CD1-CE2 4.18Å; L33-F59 HydrophobicContact CD1-CZ 4.03Å; L33-F59 HydrophobicContact CD2-CE2 4.3Å; L33-F59 HydrophobicContact CG-CE2 4.14Å; L33-F59 HydrophobicContact CG-CZ 4.19Å; V55-F59 HydrophobicContact CG1-CD2 4.01Å; V55-F59 HydrophobicContact CG1-CE2 3.88Å; V55-F59 WeakPolarHBondContact O-CD2 3.46Å; V55-F59 PolarHBondContact O-N 3.32Å; W56-F59 PolarHBondContact O-N 3.21Å; F59-Q61 VanDerWaalsContact C-N 3.3Å; F59-Q61 PolarHBondContact O-N 2.76Å; F59-I67 HydrophobicContact CB-CD1 3.68Å; F59-I67 HydrophobicContact CB-CG1 3.97Å; F59-I67 HydrophobicContact CB-CG2 4.25Å; F59-E71 VanDerWaalsContact O-CB 3.29Å; F59-E71 WeakPolarHBondContact O-CB 3.44Å; F59-E71 VanDerWaalsContact O-CG 3.32Å; F59-E71 WeakPolarHBondContact O-CG 3.42Å; F59-F75 HydrophobicContact CD1-CB 3.72Å; F59-F75 AromaticContact CD1-CD2 3.94Å; F59-F75 HydrophobicContact CD1-CD2 3.94Å; F59-F75 HydrophobicContact CD1-CG 4.32Å; F59-F75 AromaticContact CD2-CD2 3.58Å; F59-F75 HydrophobicContact CD2-CD2 3.58Å; F59-F75 HydrophobicContact CD2-CE2 4.15Å; F59-F75 HydrophobicContact CE1-CB 4.06Å; F59-F75 AromaticContact CE1-CD2 3.93Å; F59-F75 HydrophobicContact CE1-CD2 3.93Å; F59-F75 AromaticContact CE2-CD2 3.57Å; F59-F75 HydrophobicContact CE2-CD2 3.57Å; F59-F75 HydrophobicContact CE2-CE2 4.03Å; F59-F75 HydrophobicContact CG-CB 4.11Å; F59-F75 AromaticContact CG-CD2 3.78Å; F59-F75 HydrophobicContact CG-CD2 3.78Å; F59-F75 HydrophobicContact CG-CG 4.34Å; F59-F75 AromaticContact CZ-CD2 3.75Å; F59-F75 HydrophobicContact CZ-CD2 3.75Å; F59-F75 HydrophobicContact CZ-CE2 4.49Å; F59-K78 HydrophobicContact CE1-CB 4.24Å; F59-K78 HydrophobicContact CE1-CG 4Å; F59-K78 HydrophobicContact CZ-CB 4.14Å; F59-K78 HydrophobicContact CZ-CG 4.23Å |
| 60 | D | 90.3 | Very high | 88.5 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | trans | -76.2 | 79.3 | 170.3 | -177.8 | 12.1 | 0 | 0 | 0 | 109.1 | W56 G63 N64 G65 I67 | W56-D60 HydrophobicContact CZ2-CB 4.3Å; W56-D60 PolarHBondContact NE1-OD2 3.19Å; W56-D60 PolarHBondContact O-N 3.49Å; D60-G63 WeakPolarHBondContact OD1-CA 3.37Å; D60-G63 PolarHBondContact OD1-N 3.18Å; D60-N64 PolarHBondContact OD1-N 3.06Å; D60-G65 WeakPolarHBondContact OD2-CA 3.48Å; D60-G65 PolarHBondContact OD2-N 3.1Å; D60-I67 HydrophobicContact CB-CG1 4.38Å | ||
| 61 | Q | 87.2 | Confident | 88.8 | Confident | 120 Ų | 120 | 41 Ų | 41 | 56% | 0.561 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -81.5 | -35.3 | -173.3 | -66.2 | -177.1 | 14.1 | 0 | 0 | 112.1 | F59 G63 E71 | F59-Q61 VanDerWaalsContact C-N 3.3Å; F59-Q61 PolarHBondContact O-N 2.76Å; Q61-G63 VanDerWaalsContact C-N 3.26Å; Q61-E71 WeakPolarHBondContact CA-OE1 3.43Å; Q61-E71 WeakPolarHBondContact CB-OE1 3.46Å; Q61-E71 PolarHBondContact N-OE1 3.45Å |
| 62 | D | 86.7 | Confident | 88.9 | Confident | 101 Ų | 101 | 39.1 Ų | 39.1 | 54% | 0.54 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -77.8 | -16 | 174.1 | 76.1 | 1.5 | 0 | 0 | 0 | 112.4 | N64 E71 | D62-N64 VanDerWaalsContact C-N 3.33Å; D62-N64 VanDerWaalsContact CG-ND2 3.28Å; D62-N64 WeakPolarHBondContact OD1-CB 3.39Å; D62-N64 PolarHBondContact OD1-N 3.28Å; D62-N64 PolarHBondContact OD1-ND2 3.23Å; D62-N64 PolarHBondContact OD2-ND2 2.93Å; D62-E71 PolarHBondContact N-OE1 2.81Å |
| 63 | G | 83.4 | Confident | 88.8 | Confident | 29 Ų | 29 | 46.4 Ų | 46.4 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | trans | 66.7 | 38.2 | 179 | 0 | 0 | 0 | 0 | 0 | 110.5 | D60 Q61 G65 H203 | D60-G63 WeakPolarHBondContact OD1-CA 3.37Å; D60-G63 PolarHBondContact OD1-N 3.18Å; Q61-G63 VanDerWaalsContact C-N 3.26Å; G63-G65 VanDerWaalsContact C-N 3.31Å; G63-H203 PolarHBondContact O-CE1 2.79Å; G63-H203 PolarHBondContact O-ND1 3.11Å | ||
| 64 | N | 83.1 | Confident | 88.9 | Confident | 52 Ų | 52 | 50.1 Ų | 50.1 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -86.7 | -5.8 | 176.6 | 74.7 | 29.7 | 0 | 0 | 0 | 112.1 | D60 D62 F66 | D60-N64 PolarHBondContact OD1-N 3.06Å; D62-N64 VanDerWaalsContact C-N 3.33Å; D62-N64 VanDerWaalsContact CG-ND2 3.28Å; D62-N64 WeakPolarHBondContact OD1-CB 3.39Å; D62-N64 PolarHBondContact OD1-N 3.28Å; D62-N64 PolarHBondContact OD1-ND2 3.23Å; D62-N64 PolarHBondContact OD2-ND2 2.93Å; N64-F66 WeakPolarHBondContact OD1-CA 3.22Å; N64-F66 VanDerWaalsContact OD1-CB 3.3Å; N64-F66 WeakPolarHBondContact OD1-CB 3.49Å; N64-F66 PolarHBondContact OD1-N 2.85Å; N64-F66 PolarHBondContact OD1-O 2.77Å |
| 65 | G | 84.8 | Confident | 89 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 85.3 | 12.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | W56 D60 G63 | W56-G65 WeakPolarHBondContact CZ2-O 3.21Å; D60-G65 WeakPolarHBondContact OD2-CA 3.48Å; D60-G65 PolarHBondContact OD2-N 3.1Å; G63-G65 VanDerWaalsContact C-N 3.31Å |
| 66 | F | 90.2 | Very high | 89 | Confident | 68 Ų | 68 | 48.1 Ų | 48.1 | 30% | 0.298 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 139.5 | 175.7 | -58.4 | -86.6 | 0 | 0 | 0 | 110.2 | N64 D68 R115 I116 D117 | N64-F66 WeakPolarHBondContact OD1-CA 3.22Å; N64-F66 VanDerWaalsContact OD1-CB 3.3Å; N64-F66 WeakPolarHBondContact OD1-CB 3.49Å; N64-F66 PolarHBondContact OD1-N 2.85Å; N64-F66 PolarHBondContact OD1-O 2.77Å; F66-D68 PolarHBondContact O-N 3.43Å; F66-R115 HydrophobicContact CB-CB 4.18Å; F66-R115 HydrophobicContact CD1-CB 4.04Å; F66-R115 HydrophobicContact CG-CB 4.41Å; F66-I116 WeakPolarHBondContact CA-O 3.4Å; F66-D117 HydrophobicContact CD1-CB 4.09Å; F66-D117 HydrophobicContact CE1-CB 4.06Å |
| 67 | I | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 100.2 | 167.4 | -57.6 | 167 | 0 | 0 | 0 | 106.9 | W56 F59 D60 E71 L72 F75 I116 L121 | W56-I67 HydrophobicContact CE3-CD1 4.1Å; W56-I67 HydrophobicContact CH2-CD1 4.45Å; W56-I67 HydrophobicContact CH2-CG1 4.21Å; W56-I67 HydrophobicContact CZ3-CD1 3.89Å; W56-I67 HydrophobicContact CZ3-CG1 4.15Å; F59-I67 HydrophobicContact CB-CD1 3.68Å; F59-I67 HydrophobicContact CB-CG1 3.97Å; F59-I67 HydrophobicContact CB-CG2 4.25Å; D60-I67 HydrophobicContact CB-CG1 4.38Å; I67-E71 HydrophobicContact CG2-CB 3.96Å; I67-L72 HydrophobicContact CG2-CB 4.42Å; I67-L72 HydrophobicContact CG2-CD1 4.46Å; I67-F75 HydrophobicContact CG2-CB 3.94Å; I67-F75 HydrophobicContact CG2-CG 4.4Å; I67-I116 HydrophobicContact CB-CB 4.21Å; I67-I116 PolarHBondContact N-O 2.77Å; I67-I116 PolarHBondContact O-N 3.34Å; I67-L121 HydrophobicContact CD1-CD2 4.45Å |
| 68 | D | 92.1 | Very high | 88.8 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 16% | 0.16 | 27% | 0.269 | C | S | . | . | trans | -133.1 | 173.4 | -178.3 | 84.6 | -0.8 | 0 | 0 | 0 | 113.6 | F66 E70 E71 L72 R115 | F66-D68 PolarHBondContact O-N 3.43Å; D68-E70 PolarHBondContact O-N 2.88Å; D68-E71 WeakPolarHBondContact O-CA 3.49Å; D68-E71 VanDerWaalsContact O-CB 3.27Å; D68-E71 WeakPolarHBondContact O-CB 3.5Å; D68-E71 PolarHBondContact O-N 3.33Å; D68-L72 PolarHBondContact O-N 2.92Å; D68-L72 VanDerWaalsContact O-N 3.16Å; D68-R115 HydrophobicContact CB-CB 4.06Å; D68-R115 HydrophobicContact CB-CG 3.71Å; D68-R115 IonicContact OD2-CZ 3.29Å; D68-R115 VanDerWaalsContact OD2-CZ 3.28Å; D68-R115 IonicContact OD2-NE 2.7Å; D68-R115 PolarHBondContact OD2-NE 3.47Å; D68-R115 IonicContact OD2-NH2 2.84Å; D68-R115 PolarHBondContact OD2-NH2 3.24Å; D68-R115 VanDerWaalsContact OD2-NH2 3.11Å | ||
| 69 | G | 91.1 | Very high | 88.7 | Confident | 48 Ų | 48 | 47.5 Ų | 47.5 | 50% | 0.495 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | 52.9 | -122.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E71 L72 E73 | G69-E71 VanDerWaalsContact C-N 3.29Å; G69-E71 PolarHBondContact O-N 3.47Å; G69-L72 PolarHBondContact O-N 2.86Å; G69-E73 PolarHBondContact O-N 3.37Å |
| 70 | E | 90.9 | Very high | 88.5 | Confident | 172 Ų | 172 | 47.9 Ų | 47.9 | 80% | 0.804 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -67.1 | -29.7 | 179.3 | -65 | -172.9 | -179.7 | 0 | 0 | 112.5 | D68 E73 M74 | D68-E70 PolarHBondContact O-N 2.88Å; E70-E73 PolarHBondContact O-N 3.39Å; E70-M74 WeakPolarHBondContact O-CB 3.41Å; E70-M74 PolarHBondContact O-N 2.84Å |
| 71 | E | 92.9 | Very high | 88.1 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 178.2 | -58.4 | 179.5 | 158.1 | 0 | 0 | 110.9 | F59 Q61 D62 I67 D68 G69 M74 F75 | F59-E71 VanDerWaalsContact O-CB 3.29Å; F59-E71 WeakPolarHBondContact O-CB 3.44Å; F59-E71 VanDerWaalsContact O-CG 3.32Å; F59-E71 WeakPolarHBondContact O-CG 3.42Å; Q61-E71 WeakPolarHBondContact CA-OE1 3.43Å; Q61-E71 WeakPolarHBondContact CB-OE1 3.46Å; Q61-E71 PolarHBondContact N-OE1 3.45Å; D62-E71 PolarHBondContact N-OE1 2.81Å; I67-E71 HydrophobicContact CG2-CB 3.96Å; D68-E71 WeakPolarHBondContact O-CA 3.49Å; D68-E71 VanDerWaalsContact O-CB 3.27Å; D68-E71 WeakPolarHBondContact O-CB 3.5Å; D68-E71 PolarHBondContact O-N 3.33Å; G69-E71 VanDerWaalsContact C-N 3.29Å; G69-E71 PolarHBondContact O-N 3.47Å; E71-M74 WeakPolarHBondContact O-CB 3.24Å; E71-M74 PolarHBondContact O-N 3.3Å; E71-F75 WeakPolarHBondContact O-CB 3.46Å; E71-F75 PolarHBondContact O-N 2.97Å |
| 72 | L | 91.8 | Very high | 87.9 | Confident | 16 Ų | 16 | 44.9 Ų | 44.9 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 174.9 | -175.8 | 61.1 | 0 | 0 | 0 | 111.8 | I67 D68 G69 M74 F75 M76 L105 N114 I116 | I67-L72 HydrophobicContact CG2-CB 4.42Å; I67-L72 HydrophobicContact CG2-CD1 4.46Å; D68-L72 PolarHBondContact O-N 2.92Å; D68-L72 VanDerWaalsContact O-N 3.16Å; G69-L72 PolarHBondContact O-N 2.86Å; L72-M74 VanDerWaalsContact C-N 3.3Å; L72-M74 PolarHBondContact O-N 3.28Å; L72-F75 HydrophobicContact CD1-CD1 4.48Å; L72-F75 PolarHBondContact O-N 2.73Å; L72-M76 HydrophobicContact CD1-CE 3.98Å; L72-M76 HydrophobicContact CD1-CG 4.11Å; L72-M76 HydrophobicContact CG-CG 4.34Å; L72-M76 VanDerWaalsContact O-CB 3.31Å; L72-M76 WeakPolarHBondContact O-CB 3.3Å; L72-M76 VanDerWaalsContact O-CG 3.26Å; L72-M76 WeakPolarHBondContact O-CG 3.34Å; L72-M76 PolarHBondContact O-N 2.91Å; L72-L105 HydrophobicContact CD1-CD2 3.87Å; L72-L105 HydrophobicContact CD2-CD2 4.02Å; L72-L105 HydrophobicContact CG-CD2 4.26Å; L72-N114 WeakPolarHBondContact CD2-O 3.36Å; L72-I116 HydrophobicContact CD1-CD1 3.38Å; L72-I116 HydrophobicContact CD1-CG1 3.82Å |
| 73 | E | 88.1 | Confident | 87.5 | Confident | 153 Ų | 153 | 42.4 Ų | 42.4 | 72% | 0.715 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -60.6 | -42.4 | 174.9 | -72.1 | -173.1 | -179.8 | 0 | 0 | 111.4 | G69 E70 G77 | G69-E73 PolarHBondContact O-N 3.37Å; E70-E73 PolarHBondContact O-N 3.39Å; E73-G77 PolarHBondContact O-N 3.18Å |
| 74 | M | 89.6 | Confident | 87.3 | Confident | 79 Ų | 79 | 41.7 Ų | 41.7 | 39% | 0.389 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.4 | -49.6 | 175.7 | -172.1 | 179 | -57.9 | 0 | 0 | 111.2 | E70 E71 L72 G77 K78 | E70-M74 WeakPolarHBondContact O-CB 3.41Å; E70-M74 PolarHBondContact O-N 2.84Å; E71-M74 WeakPolarHBondContact O-CB 3.24Å; E71-M74 PolarHBondContact O-N 3.3Å; L72-M74 VanDerWaalsContact C-N 3.3Å; L72-M74 PolarHBondContact O-N 3.28Å; M74-G77 PolarHBondContact O-N 3.22Å; M74-K78 WeakPolarHBondContact O-CG 3.34Å; M74-K78 PolarHBondContact O-N 2.85Å |
| 75 | F | 91.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -49.9 | 179.6 | 175.1 | -114.1 | 0 | 0 | 0 | 111.7 | L33 F59 I67 E71 L72 G77 K78 L79 I116 L121 L124 | L33-F75 HydrophobicContact CD1-CD2 4.28Å; L33-F75 HydrophobicContact CD1-CE2 3.94Å; F59-F75 HydrophobicContact CD1-CB 3.72Å; F59-F75 AromaticContact CD1-CD2 3.94Å; F59-F75 HydrophobicContact CD1-CD2 3.94Å; F59-F75 HydrophobicContact CD1-CG 4.32Å; F59-F75 AromaticContact CD2-CD2 3.58Å; F59-F75 HydrophobicContact CD2-CD2 3.58Å; F59-F75 HydrophobicContact CD2-CE2 4.15Å; F59-F75 HydrophobicContact CE1-CB 4.06Å; F59-F75 AromaticContact CE1-CD2 3.93Å; F59-F75 HydrophobicContact CE1-CD2 3.93Å; F59-F75 AromaticContact CE2-CD2 3.57Å; F59-F75 HydrophobicContact CE2-CD2 3.57Å; F59-F75 HydrophobicContact CE2-CE2 4.03Å; F59-F75 HydrophobicContact CG-CB 4.11Å; F59-F75 AromaticContact CG-CD2 3.78Å; F59-F75 HydrophobicContact CG-CD2 3.78Å; F59-F75 HydrophobicContact CG-CG 4.34Å; F59-F75 AromaticContact CZ-CD2 3.75Å; F59-F75 HydrophobicContact CZ-CD2 3.75Å; F59-F75 HydrophobicContact CZ-CE2 4.49Å; I67-F75 HydrophobicContact CG2-CB 3.94Å; I67-F75 HydrophobicContact CG2-CG 4.4Å; E71-F75 WeakPolarHBondContact O-CB 3.46Å; E71-F75 PolarHBondContact O-N 2.97Å; L72-F75 HydrophobicContact CD1-CD1 4.48Å; L72-F75 PolarHBondContact O-N 2.73Å; F75-G77 VanDerWaalsContact C-N 3.33Å; F75-G77 PolarHBondContact O-N 3.25Å; F75-K78 CarbonylContact O-C 3.59Å; F75-K78 PolarHBondContact O-N 3.38Å; F75-L79 HydrophobicContact CE1-CD2 4.37Å; F75-L79 HydrophobicContact CZ-CD2 4.43Å; F75-L79 WeakPolarHBondContact O-CB 3.4Å; F75-L79 PolarHBondContact O-N 3.29Å; F75-I116 HydrophobicContact CD1-CD1 3.72Å; F75-I116 HydrophobicContact CE1-CD1 3.62Å; F75-L121 HydrophobicContact CE1-CD1 4.31Å; F75-L121 HydrophobicContact CE2-CD1 3.92Å; F75-L121 HydrophobicContact CZ-CD1 3.5Å; F75-L121 VanDerWaalsContact CZ-CD1 3.5Å; F75-L124 HydrophobicContact CE1-CD2 4.36Å; F75-L124 HydrophobicContact CZ-CD2 3.72Å |
| 76 | M | 88.1 | Confident | 86.3 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 177.7 | -72.8 | -66.2 | 132.7 | 0 | 0 | 111.6 | L72 K78 L79 V80 V101 L104 L105 I108 I116 | L72-M76 HydrophobicContact CD1-CE 3.98Å; L72-M76 HydrophobicContact CD1-CG 4.11Å; L72-M76 HydrophobicContact CG-CG 4.34Å; L72-M76 VanDerWaalsContact O-CB 3.31Å; L72-M76 WeakPolarHBondContact O-CB 3.3Å; L72-M76 VanDerWaalsContact O-CG 3.26Å; L72-M76 WeakPolarHBondContact O-CG 3.34Å; L72-M76 PolarHBondContact O-N 2.91Å; M76-K78 PolarHBondContact O-N 2.77Å; M76-L79 HydrophobicContact CE-CD2 4.36Å; M76-L79 PolarHBondContact O-N 3.2Å; M76-L79 HydrophobicContact SD-CD2 4.48Å; M76-V80 WeakPolarHBondContact O-CB 3.5Å; M76-V80 VanDerWaalsContact O-CG2 3.31Å; M76-V80 WeakPolarHBondContact O-CG2 3.48Å; M76-V80 PolarHBondContact O-N 3.38Å; M76-V101 HydrophobicContact CB-CG1 3.89Å; M76-V101 HydrophobicContact CB-CG2 4.25Å; M76-V101 HydrophobicContact CG-CG1 3.88Å; M76-V101 HydrophobicContact SD-CG1 4.14Å; M76-L104 HydrophobicContact SD-CB 4.35Å; M76-L105 HydrophobicContact CE-CD2 3.7Å; M76-L105 HydrophobicContact CE-CG 4.33Å; M76-L105 HydrophobicContact CG-CD2 4.22Å; M76-L105 HydrophobicContact CG-CG 4.43Å; M76-L105 HydrophobicContact SD-CD2 3.92Å; M76-L105 HydrophobicContact SD-CG 3.95Å; M76-I108 HydrophobicContact CE-CD1 3.97Å; M76-I116 HydrophobicContact CE-CD1 3.55Å |
| 77 | G | 86.4 | Confident | 85.5 | Confident | 35 Ų | 35 | 52.4 Ų | 52.4 | 36% | 0.361 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -54.7 | -54.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | E73 M74 F75 L79 V80 E81 | E73-G77 PolarHBondContact O-N 3.18Å; M74-G77 PolarHBondContact O-N 3.22Å; F75-G77 VanDerWaalsContact C-N 3.33Å; F75-G77 PolarHBondContact O-N 3.25Å; G77-L79 VanDerWaalsContact C-N 3.33Å; G77-L79 PolarHBondContact O-N 3.22Å; G77-V80 PolarHBondContact O-N 2.98Å; G77-E81 WeakPolarHBondContact O-CB 3.33Å; G77-E81 WeakPolarHBondContact O-CG 3.5Å; G77-E81 PolarHBondContact O-N 2.86Å |
| 78 | K | 86.8 | Confident | 84.6 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -37.1 | 177.8 | -65.3 | -46.4 | -173.8 | -179.9 | 0 | 112.9 | N31 L33 F59 M74 F75 M76 E81 C82 | N31-K78 HydrophobicContact CB-CD 3.82Å; N31-K78 PolarHBondContact ND2-O 3.42Å; L33-K78 HydrophobicContact CD1-CB 4.23Å; F59-K78 HydrophobicContact CE1-CB 4.24Å; F59-K78 HydrophobicContact CE1-CG 4Å; F59-K78 HydrophobicContact CZ-CB 4.14Å; F59-K78 HydrophobicContact CZ-CG 4.23Å; M74-K78 WeakPolarHBondContact O-CG 3.34Å; M74-K78 PolarHBondContact O-N 2.85Å; F75-K78 CarbonylContact O-C 3.59Å; F75-K78 PolarHBondContact O-N 3.38Å; M76-K78 PolarHBondContact O-N 2.77Å; K78-E81 IonicContact NZ-OE2 3.59Å; K78-E81 WeakPolarHBondContact O-CB 3.36Å; K78-E81 PolarHBondContact O-N 3.35Å; K78-C82 PolarHBondContact O-N 3.47Å; K78-C82 PolarHBondContact O-SG 3.18Å; K78-C82 VanDerWaalsContact O-SG 3.32Å |
| 79 | L | 86.5 | Confident | 83.5 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.1 | -45.7 | 178.2 | -174.5 | 61.2 | 0 | 0 | 0 | 111.5 | L33 F44 F75 M76 G77 E81 C82 I83 L104 I108 L124 | L33-L79 HydrophobicContact CD1-CB 4.43Å; L33-L79 HydrophobicContact CD1-CD1 4.4Å; F44-L79 HydrophobicContact CE2-CD1 3.84Å; F44-L79 HydrophobicContact CZ-CD1 3.66Å; F75-L79 HydrophobicContact CE1-CD2 4.37Å; F75-L79 HydrophobicContact CZ-CD2 4.43Å; F75-L79 WeakPolarHBondContact O-CB 3.4Å; F75-L79 PolarHBondContact O-N 3.29Å; M76-L79 HydrophobicContact CE-CD2 4.36Å; M76-L79 PolarHBondContact O-N 3.2Å; M76-L79 HydrophobicContact SD-CD2 4.48Å; G77-L79 VanDerWaalsContact C-N 3.33Å; G77-L79 PolarHBondContact O-N 3.22Å; L79-E81 VanDerWaalsContact C-N 3.26Å; L79-E81 PolarHBondContact O-N 3.11Å; L79-C82 WeakPolarHBondContact O-CB 3.37Å; L79-C82 PolarHBondContact O-N 2.99Å; L79-C82 VanDerWaalsContact O-N 3.09Å; L79-I83 HydrophobicContact CG-CD1 4.18Å; L79-I83 WeakPolarHBondContact O-CG1 3.44Å; L79-I83 PolarHBondContact O-N 3.22Å; L79-I83 VanDerWaalsContact O-N 3.14Å; L79-L104 HydrophobicContact CD2-CD1 4.1Å; L79-L104 HydrophobicContact CG-CD1 4.33Å; L79-I108 HydrophobicContact CD2-CD1 3.73Å; L79-L124 HydrophobicContact CD1-CD2 4.23Å; L79-L124 HydrophobicContact CD2-CD2 4.02Å |
| 80 | V | 84.8 | Confident | 82.5 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 6% | 0.055 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 173.7 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | M76 G77 C82 I83 I84 T97 L100 V101 L104 | M76-V80 WeakPolarHBondContact O-CB 3.5Å; M76-V80 VanDerWaalsContact O-CG2 3.31Å; M76-V80 WeakPolarHBondContact O-CG2 3.48Å; M76-V80 PolarHBondContact O-N 3.38Å; G77-V80 PolarHBondContact O-N 2.98Å; V80-C82 PolarHBondContact O-N 3.32Å; V80-I83 PolarHBondContact O-N 3.02Å; V80-I84 HydrophobicContact CG1-CD1 3.61Å; V80-I84 HydrophobicContact CG1-CG1 3.98Å; V80-I84 WeakPolarHBondContact O-CB 3.26Å; V80-I84 PolarHBondContact O-N 3.2Å; V80-T97 HydrophobicContact CG1-CG2 4.19Å; V80-L100 HydrophobicContact CG1-CD2 4.19Å; V80-L100 HydrophobicContact CG2-CD2 4.15Å; V80-L100 HydrophobicContact CG2-CG 4.49Å; V80-V101 HydrophobicContact CG2-CG2 3.68Å; V80-L104 HydrophobicContact CG2-CD1 4.07Å |
| 81 | E | 82.7 | Confident | 81.7 | Confident | 55 Ų | 55 | 60.3 Ų | 60.3 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.4 | -28.6 | 176.2 | -75.1 | -157.7 | 136.5 | 0 | 0 | 113.5 | N31 G77 K78 L79 R89 | N31-E81 WeakPolarHBondContact ND2-CB 3.39Å; N31-E81 PolarHBondContact ND2-OE2 2.82Å; N31-E81 VanDerWaalsContact ND2-OE2 3.1Å; G77-E81 WeakPolarHBondContact O-CB 3.33Å; G77-E81 WeakPolarHBondContact O-CG 3.5Å; G77-E81 PolarHBondContact O-N 2.86Å; K78-E81 IonicContact NZ-OE2 3.59Å; K78-E81 WeakPolarHBondContact O-CB 3.36Å; K78-E81 PolarHBondContact O-N 3.35Å; L79-E81 VanDerWaalsContact C-N 3.26Å; L79-E81 PolarHBondContact O-N 3.11Å; E81-R89 VanDerWaalsContact CG-CZ 3.41Å; E81-R89 PolarHBondContact O-NH2 3.3Å; E81-R89 VanDerWaalsContact O-NH2 3.12Å; E81-R89 IonicContact OE1-CZ 2.65Å; E81-R89 IonicContact OE1-NH1 3.62Å; E81-R89 PolarHBondContact OE1-NH1 3.46Å; E81-R89 IonicContact OE1-NH2 3.99Å |
| 82 | C | 81.8 | Confident | 80.8 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -75.9 | -45.7 | 174.1 | -67 | 0 | 0 | 0 | 0 | 111.8 | L33 L34 F37 K78 L79 V80 | L33-C82 WeakPolarHBondContact CB-SG 3.47Å; L34-C82 HydrophobicContact CD2-CB 4.21Å; F37-C82 HydrophobicContact CB-CB 4.08Å; F37-C82 HydrophobicContact CD1-CB 4.09Å; F37-C82 WeakPolarHBondContact CD1-O 3.46Å; F37-C82 HydrophobicContact CD2-CB 4.07Å; F37-C82 WeakPolarHBondContact CE1-O 3.42Å; F37-C82 HydrophobicContact CG-CB 3.81Å; K78-C82 PolarHBondContact O-N 3.47Å; K78-C82 PolarHBondContact O-SG 3.18Å; K78-C82 VanDerWaalsContact O-SG 3.32Å; L79-C82 WeakPolarHBondContact O-CB 3.37Å; L79-C82 PolarHBondContact O-N 2.99Å; L79-C82 VanDerWaalsContact O-N 3.09Å; V80-C82 PolarHBondContact O-N 3.32Å |
| 83 | I | 79.7 | Confident | 80.3 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 25% | 0.246 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.6 | -40.1 | -175.5 | -62 | 165.1 | 0 | 0 | 0 | 111.2 | F37 L79 V80 P85 L104 | F37-I83 HydrophobicContact CE2-CG1 4.32Å; F37-I83 HydrophobicContact CZ-CG1 4.23Å; L79-I83 HydrophobicContact CG-CD1 4.18Å; L79-I83 WeakPolarHBondContact O-CG1 3.44Å; L79-I83 PolarHBondContact O-N 3.22Å; L79-I83 VanDerWaalsContact O-N 3.14Å; V80-I83 PolarHBondContact O-N 3.02Å; I83-P85 WeakPolarHBondContact O-CD 3.26Å; I83-L104 HydrophobicContact CD1-CD1 3.76Å; I83-L104 HydrophobicContact CD1-CD2 3.91Å; I83-L104 HydrophobicContact CD1-CG 4.49Å |
| 84 | I | 78.3 | Confident | 79.9 | Confident | 15 Ų | 15 | 65 Ų | 65 | 8% | 0.077 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -98.5 | 109.5 | -178.2 | -53.8 | -173.2 | 0 | 0 | 0 | 109.5 | V80 A88 R89 L92 L100 | V80-I84 HydrophobicContact CG1-CD1 3.61Å; V80-I84 HydrophobicContact CG1-CG1 3.98Å; V80-I84 WeakPolarHBondContact O-CB 3.26Å; V80-I84 PolarHBondContact O-N 3.2Å; I84-A88 HydrophobicContact CG2-CB 3.92Å; I84-R89 HydrophobicContact CG2-CB 4.22Å; I84-L92 HydrophobicContact CD1-CD1 3.97Å; I84-L92 HydrophobicContact CD1-CD2 3.63Å; I84-L92 HydrophobicContact CD1-CG 4.42Å; I84-L92 HydrophobicContact CG2-CD1 4.01Å; I84-L100 HydrophobicContact CD1-CD2 3.65Å; I84-L100 HydrophobicContact CG1-CD2 3.97Å |
| 85 | P | 74.1 | Confident | 79.6 | Confident | 61 Ų | 61 | 65.9 Ų | 65.9 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | trans | -68.4 | 149 | 179.3 | 29.8 | -35 | 0 | 0 | 0 | 111.1 | I83 H87 A88 R89 | I83-P85 WeakPolarHBondContact O-CD 3.26Å; P85-H87 WeakPolarHBondContact CB-CE1 3.48Å; P85-H87 PolarHBondContact O-N 3Å; P85-A88 HydrophobicContact CG-CB 4.4Å; P85-A88 PolarHBondContact O-N 3.48Å; P85-R89 PolarHBondContact O-N 2.79Å | ||
| 86 | K | 73.9 | Confident | 79.3 | Confident | 158 Ų | 158 | 69.5 Ų | 69.5 | 69% | 0.687 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -49.2 | -31.1 | -168.8 | -68.1 | -176 | 177.6 | -178.6 | 0 | 115.5 | ||
| 87 | H | 71.9 | Confident | 78.9 | Confident | 142 Ų | 142 | 71.4 Ų | 71.4 | 66% | 0.657 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -77.7 | -25.6 | -178.9 | 49.7 | -79.5 | 0 | 0 | 0 | 113.9 | P85 Q91 | P85-H87 WeakPolarHBondContact CB-CE1 3.48Å; P85-H87 PolarHBondContact O-N 3Å; H87-Q91 PolarHBondContact O-NE2 3.02Å; H87-Q91 VanDerWaalsContact O-NE2 3.08Å |
| 88 | A | 74 | Confident | 78.8 | Confident | 28 Ų | 28 | 76.8 Ų | 76.8 | 23% | 0.231 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -86.3 | -25.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I84 P85 N90 Q91 L92 | I84-A88 HydrophobicContact CG2-CB 3.92Å; P85-A88 HydrophobicContact CG-CB 4.4Å; P85-A88 PolarHBondContact O-N 3.48Å; A88-N90 VanDerWaalsContact C-N 3.28Å; A88-N90 PolarHBondContact O-N 2.92Å; A88-Q91 WeakPolarHBondContact O-CB 3.18Å; A88-Q91 PolarHBondContact O-N 3.03Å; A88-L92 WeakPolarHBondContact O-CD1 3.34Å; A88-L92 PolarHBondContact O-N 3.16Å |
| 89 | R | 69.1 | Low | 78.8 | Confident | 75 Ų | 75 | 80.7 Ų | 80.7 | 28% | 0.283 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.4 | -36.2 | -177.8 | -159.8 | -176.9 | -63 | 170.9 | -1 | 113.5 | E81 I84 P85 Q91 | E81-R89 VanDerWaalsContact CG-CZ 3.41Å; E81-R89 PolarHBondContact O-NH2 3.3Å; E81-R89 VanDerWaalsContact O-NH2 3.12Å; E81-R89 IonicContact OE1-CZ 2.65Å; E81-R89 IonicContact OE1-NH1 3.62Å; E81-R89 PolarHBondContact OE1-NH1 3.46Å; E81-R89 IonicContact OE1-NH2 3.99Å; I84-R89 HydrophobicContact CG2-CB 4.22Å; P85-R89 PolarHBondContact O-N 2.79Å; R89-Q91 PolarHBondContact O-N 3.38Å |
| 90 | N | 70.4 | Confident | 78.7 | Confident | 149 Ų | 149 | 83 Ų | 83 | 80% | 0.797 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -7.3 | 177.4 | -63.8 | -10.2 | 0 | 0 | 0 | 113.8 | A88 | A88-N90 VanDerWaalsContact C-N 3.28Å; A88-N90 PolarHBondContact O-N 2.92Å |
| 91 | Q | 73.2 | Confident | 78.8 | Confident | 164 Ų | 164 | 84 Ų | 84 | 77% | 0.766 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -15.2 | -178.1 | -64.1 | 177.6 | 63.3 | 0 | 0 | 112.7 | H87 A88 R89 | H87-Q91 PolarHBondContact O-NE2 3.02Å; H87-Q91 VanDerWaalsContact O-NE2 3.08Å; A88-Q91 WeakPolarHBondContact O-CB 3.18Å; A88-Q91 PolarHBondContact O-N 3.03Å; R89-Q91 PolarHBondContact O-N 3.38Å |
| 92 | L | 73.3 | Confident | 79 | Confident | 59 Ų | 59 | 85 Ų | 85 | 31% | 0.309 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -79.9 | 139.3 | 172.4 | -89.9 | 95 | 0 | 0 | 0 | 110.2 | I84 A88 D96 | I84-L92 HydrophobicContact CD1-CD1 3.97Å; I84-L92 HydrophobicContact CD1-CD2 3.63Å; I84-L92 HydrophobicContact CD1-CG 4.42Å; I84-L92 HydrophobicContact CG2-CD1 4.01Å; A88-L92 WeakPolarHBondContact O-CD1 3.34Å; A88-L92 PolarHBondContact O-N 3.16Å; L92-D96 HydrophobicContact CB-CB 4.36Å; L92-D96 HydrophobicContact CD2-CB 3.7Å; L92-D96 HydrophobicContact CG-CB 4.14Å |
| 93 | S | 81.3 | Confident | 79.2 | Confident | 51 Ų | 51 | 89 Ų | 89 | 36% | 0.357 | 44% | 0.442 | S | S | . | . | trans | -73.4 | 163.9 | 166 | 74 | 0 | 0 | 0 | 0 | 110.9 | D95 D96 T97 | S93-D95 PolarHBondContact O-N 3.46Å; S93-D95 PolarHBondContact OG-N 3.04Å; S93-D96 WeakPolarHBondContact CB-OD2 3.32Å; S93-D96 PolarHBondContact N-OD2 3.46Å; S93-D96 PolarHBondContact O-N 3.24Å; S93-D96 PolarHBondContact OG-N 2.95Å; S93-D96 VanDerWaalsContact OG-N 3.1Å; S93-D96 PolarHBondContact OG-OD2 2.93Å; S93-T97 PolarHBondContact O-N 2.95Å; S93-T97 VanDerWaalsContact O-N 3.13Å; S93-T97 PolarHBondContact O-OG1 3.01Å | ||
| 94 | E | 81 | Confident | 79.5 | Confident | 176 Ų | 176 | 88.2 Ų | 88.2 | 82% | 0.822 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.1 | -34.7 | 169.9 | -77.4 | -176.3 | 158.9 | 0 | 0 | 111.6 | T97 R98 | E94-T97 PolarHBondContact O-N 2.95Å; E94-R98 WeakPolarHBondContact O-CB 3.3Å; E94-R98 PolarHBondContact O-N 3.43Å |
| 95 | D | 83.7 | Confident | 79.9 | Confident | 98 Ų | 98 | 88.5 Ų | 88.5 | 52% | 0.524 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 178 | -79.8 | -30.2 | 0 | 0 | 0 | 112.2 | S93 T97 R98 E99 | S93-D95 PolarHBondContact O-N 3.46Å; S93-D95 PolarHBondContact OG-N 3.04Å; D95-T97 VanDerWaalsContact C-N 3.28Å; D95-T97 PolarHBondContact O-N 2.9Å; D95-R98 PolarHBondContact O-N 2.93Å; D95-R98 IonicContact OD1-CZ 4Å; D95-R98 IonicContact OD1-NE 2.91Å; D95-R98 IonicContact OD1-NH2 2.73Å; D95-R98 PolarHBondContact OD1-NH2 3.06Å; D95-E99 PolarHBondContact O-N 3.14Å |
| 96 | D | 83.6 | Confident | 80.5 | Confident | 75 Ų | 75 | 91.7 Ų | 91.7 | 40% | 0.401 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 176.9 | -56.7 | -50.2 | 0 | 0 | 0 | 111.3 | L92 S93 E99 L100 | L92-D96 HydrophobicContact CB-CB 4.36Å; L92-D96 HydrophobicContact CD2-CB 3.7Å; L92-D96 HydrophobicContact CG-CB 4.14Å; S93-D96 WeakPolarHBondContact CB-OD2 3.32Å; S93-D96 PolarHBondContact N-OD2 3.46Å; S93-D96 PolarHBondContact O-N 3.24Å; S93-D96 PolarHBondContact OG-N 2.95Å; S93-D96 VanDerWaalsContact OG-N 3.1Å; S93-D96 PolarHBondContact OG-OD2 2.93Å; D96-E99 PolarHBondContact O-N 2.72Å; D96-L100 PolarHBondContact O-N 3.17Å |
| 97 | T | 81.4 | Confident | 81.1 | Confident | 46 Ų | 46 | 89.4 Ų | 89.4 | 28% | 0.282 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 177.4 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | V80 S93 E94 D95 L100 V101 | V80-T97 HydrophobicContact CG1-CG2 4.19Å; S93-T97 PolarHBondContact O-N 2.95Å; S93-T97 VanDerWaalsContact O-N 3.13Å; S93-T97 PolarHBondContact O-OG1 3.01Å; E94-T97 PolarHBondContact O-N 2.95Å; D95-T97 VanDerWaalsContact C-N 3.28Å; D95-T97 PolarHBondContact O-N 2.9Å; T97-L100 PolarHBondContact O-N 2.92Å; T97-V101 WeakPolarHBondContact O-CG2 3.27Å; T97-V101 PolarHBondContact O-N 3.38Å |
| 98 | R | 84 | Confident | 81.8 | Confident | 148 Ų | 148 | 83 Ų | 83 | 56% | 0.558 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.1 | -38.7 | 176.9 | -176.5 | 170.7 | 58 | 94.9 | 2 | 112 | E94 D95 V101 N102 | E94-R98 WeakPolarHBondContact O-CB 3.3Å; E94-R98 PolarHBondContact O-N 3.43Å; D95-R98 PolarHBondContact O-N 2.93Å; D95-R98 IonicContact OD1-CZ 4Å; D95-R98 IonicContact OD1-NE 2.91Å; D95-R98 IonicContact OD1-NH2 2.73Å; D95-R98 PolarHBondContact OD1-NH2 3.06Å; R98-V101 PolarHBondContact O-N 2.92Å; R98-N102 WeakPolarHBondContact O-CB 3.29Å; R98-N102 VanDerWaalsContact O-CG 3.3Å; R98-N102 PolarHBondContact O-N 3.03Å; R98-N102 PolarHBondContact O-ND2 2.94Å |
| 99 | E | 86.4 | Confident | 82.5 | Confident | 126 Ų | 126 | 81.9 Ų | 81.9 | 59% | 0.589 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.8 | -43.6 | 174.3 | -167.8 | 169.9 | -158.8 | 0 | 0 | 111.2 | D95 D96 V101 N102 E103 | D95-E99 PolarHBondContact O-N 3.14Å; D96-E99 PolarHBondContact O-N 2.72Å; E99-V101 PolarHBondContact O-N 3Å; E99-N102 PolarHBondContact O-N 3.4Å; E99-E103 WeakPolarHBondContact O-CG 3.33Å; E99-E103 PolarHBondContact O-N 3.05Å |
| 100 | L | 85.1 | Confident | 83.2 | Confident | 52 Ų | 52 | 80.8 Ų | 80.8 | 27% | 0.272 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 175 | -179.3 | 64.5 | 0 | 0 | 0 | 112.6 | V80 I84 D96 T97 N102 E103 L104 | V80-L100 HydrophobicContact CG1-CD2 4.19Å; V80-L100 HydrophobicContact CG2-CD2 4.15Å; V80-L100 HydrophobicContact CG2-CG 4.49Å; I84-L100 HydrophobicContact CD1-CD2 3.65Å; I84-L100 HydrophobicContact CG1-CD2 3.97Å; D96-L100 PolarHBondContact O-N 3.17Å; T97-L100 PolarHBondContact O-N 2.92Å; L100-N102 VanDerWaalsContact C-N 3.31Å; L100-N102 PolarHBondContact O-N 3.3Å; L100-E103 PolarHBondContact O-N 3.14Å; L100-L104 HydrophobicContact CD1-CD1 4.49Å; L100-L104 HydrophobicContact CD1-CG 4.42Å; L100-L104 HydrophobicContact CG-CD1 4.15Å; L100-L104 HydrophobicContact CG-CG 4.5Å; L100-L104 WeakPolarHBondContact O-CG 3.22Å; L100-L104 PolarHBondContact O-N 3.13Å |
| 101 | V | 86.5 | Confident | 83.9 | Confident | 30 Ų | 30 | 77.4 Ų | 77.4 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 176.3 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | M76 V80 T97 R98 E99 E103 L104 L105 | M76-V101 HydrophobicContact CB-CG1 3.89Å; M76-V101 HydrophobicContact CB-CG2 4.25Å; M76-V101 HydrophobicContact CG-CG1 3.88Å; M76-V101 HydrophobicContact SD-CG1 4.14Å; V80-V101 HydrophobicContact CG2-CG2 3.68Å; T97-V101 WeakPolarHBondContact O-CG2 3.27Å; T97-V101 PolarHBondContact O-N 3.38Å; R98-V101 PolarHBondContact O-N 2.92Å; E99-V101 PolarHBondContact O-N 3Å; V101-E103 VanDerWaalsContact C-N 3.33Å; V101-E103 PolarHBondContact O-N 2.94Å; V101-L104 PolarHBondContact O-N 3.45Å; V101-L105 HydrophobicContact CG1-CD1 3.9Å; V101-L105 HydrophobicContact CG1-CG 4.32Å; V101-L105 WeakPolarHBondContact O-CB 3.43Å; V101-L105 WeakPolarHBondContact O-CG 3.23Å; V101-L105 PolarHBondContact O-N 3.19Å |
| 102 | N | 86.3 | Confident | 84.5 | Confident | 74 Ų | 74 | 75 Ų | 75 | 40% | 0.396 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 177.4 | -74.7 | -24.2 | 0 | 0 | 0 | 112.7 | R98 E99 L100 K106 | R98-N102 WeakPolarHBondContact O-CB 3.29Å; R98-N102 VanDerWaalsContact O-CG 3.3Å; R98-N102 PolarHBondContact O-N 3.03Å; R98-N102 PolarHBondContact O-ND2 2.94Å; E99-N102 PolarHBondContact O-N 3.4Å; L100-N102 VanDerWaalsContact C-N 3.31Å; L100-N102 PolarHBondContact O-N 3.3Å; N102-K106 WeakPolarHBondContact O-CG 3.49Å; N102-K106 PolarHBondContact O-N 3.49Å; N102-K106 VanDerWaalsContact O-N 3.08Å |
| 103 | E | 86.4 | Confident | 85.3 | Confident | 95 Ų | 95 | 75.6 Ų | 75.6 | 44% | 0.444 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.5 | -36.5 | 175.9 | -69.3 | -57.9 | 120.3 | 0 | 0 | 112.2 | E99 L100 V101 K106 V107 | E99-E103 WeakPolarHBondContact O-CG 3.33Å; E99-E103 PolarHBondContact O-N 3.05Å; L100-E103 PolarHBondContact O-N 3.14Å; V101-E103 VanDerWaalsContact C-N 3.33Å; V101-E103 PolarHBondContact O-N 2.94Å; E103-K106 IonicContact OE1-NZ 3.66Å; E103-K106 PolarHBondContact OE1-NZ 3.2Å; E103-V107 WeakPolarHBondContact O-CG2 3.49Å; E103-V107 PolarHBondContact O-N 3.4Å |
| 104 | L | 86 | Confident | 85.6 | Confident | 30 Ų | 30 | 78.2 Ų | 78.2 | 16% | 0.157 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 173.5 | -70.7 | 171.1 | 0 | 0 | 0 | 111.5 | M76 L79 V80 I83 L100 V101 K106 V107 I108 | M76-L104 HydrophobicContact SD-CB 4.35Å; L79-L104 HydrophobicContact CD2-CD1 4.1Å; L79-L104 HydrophobicContact CG-CD1 4.33Å; V80-L104 HydrophobicContact CG2-CD1 4.07Å; I83-L104 HydrophobicContact CD1-CD1 3.76Å; I83-L104 HydrophobicContact CD1-CD2 3.91Å; I83-L104 HydrophobicContact CD1-CG 4.49Å; L100-L104 HydrophobicContact CD1-CD1 4.49Å; L100-L104 HydrophobicContact CD1-CG 4.42Å; L100-L104 HydrophobicContact CG-CD1 4.15Å; L100-L104 HydrophobicContact CG-CG 4.5Å; L100-L104 WeakPolarHBondContact O-CG 3.22Å; L100-L104 PolarHBondContact O-N 3.13Å; V101-L104 PolarHBondContact O-N 3.45Å; L104-K106 PolarHBondContact O-N 3.05Å; L104-V107 PolarHBondContact O-N 3.33Å; L104-V107 VanDerWaalsContact O-N 3.09Å; L104-I108 HydrophobicContact CB-CD1 4.39Å; L104-I108 WeakPolarHBondContact O-CG1 3.4Å; L104-I108 PolarHBondContact O-N 2.93Å |
| 105 | L | 86.5 | Confident | 86.1 | Confident | 22 Ų | 22 | 75.1 Ų | 75.1 | 12% | 0.115 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 176.8 | -77.7 | 171.2 | 0 | 0 | 0 | 111.2 | L72 M76 V101 V107 I108 D109 | L72-L105 HydrophobicContact CD1-CD2 3.87Å; L72-L105 HydrophobicContact CD2-CD2 4.02Å; L72-L105 HydrophobicContact CG-CD2 4.26Å; M76-L105 HydrophobicContact CE-CD2 3.7Å; M76-L105 HydrophobicContact CE-CG 4.33Å; M76-L105 HydrophobicContact CG-CD2 4.22Å; M76-L105 HydrophobicContact CG-CG 4.43Å; M76-L105 HydrophobicContact SD-CD2 3.92Å; M76-L105 HydrophobicContact SD-CG 3.95Å; V101-L105 HydrophobicContact CG1-CD1 3.9Å; V101-L105 HydrophobicContact CG1-CG 4.32Å; V101-L105 WeakPolarHBondContact O-CB 3.43Å; V101-L105 WeakPolarHBondContact O-CG 3.23Å; V101-L105 PolarHBondContact O-N 3.19Å; L105-V107 PolarHBondContact O-N 2.94Å; L105-I108 PolarHBondContact O-N 3.16Å; L105-I108 VanDerWaalsContact O-N 3.11Å; L105-D109 WeakPolarHBondContact O-CA 3.41Å; L105-D109 WeakPolarHBondContact O-CB 3.15Å; L105-D109 PolarHBondContact O-N 3.25Å |
| 106 | K | 86.3 | Confident | 86.5 | Confident | 128 Ų | 128 | 70.5 Ų | 70.5 | 56% | 0.557 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.1 | -24.8 | 176.8 | -74.2 | 172.9 | -172 | 167.9 | 0 | 114.7 | N102 E103 L104 | N102-K106 WeakPolarHBondContact O-CG 3.49Å; N102-K106 PolarHBondContact O-N 3.49Å; N102-K106 VanDerWaalsContact O-N 3.08Å; E103-K106 IonicContact OE1-NZ 3.66Å; E103-K106 PolarHBondContact OE1-NZ 3.2Å; L104-K106 PolarHBondContact O-N 3.05Å |
| 107 | V | 85.8 | Confident | 86.8 | Confident | 109 Ų | 109 | 68.1 Ų | 68.1 | 66% | 0.661 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -88.6 | -35.8 | 179.4 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | E103 L104 L105 | E103-V107 WeakPolarHBondContact O-CG2 3.49Å; E103-V107 PolarHBondContact O-N 3.4Å; L104-V107 PolarHBondContact O-N 3.33Å; L104-V107 VanDerWaalsContact O-N 3.09Å; L105-V107 PolarHBondContact O-N 2.94Å |
| 108 | I | 87 | Confident | 87.1 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -89.7 | -54.8 | -174.8 | -60.3 | 161.6 | 0 | 0 | 0 | 110.8 | M76 L79 L104 L105 T110 I116 E120 L124 | M76-I108 HydrophobicContact CE-CD1 3.97Å; L79-I108 HydrophobicContact CD2-CD1 3.73Å; L104-I108 HydrophobicContact CB-CD1 4.39Å; L104-I108 WeakPolarHBondContact O-CG1 3.4Å; L104-I108 PolarHBondContact O-N 2.93Å; L105-I108 PolarHBondContact O-N 3.16Å; L105-I108 VanDerWaalsContact O-N 3.11Å; I108-T110 PolarHBondContact O-N 3.22Å; I108-I116 HydrophobicContact CG2-CD1 3.78Å; I108-I116 HydrophobicContact CG2-CG1 4.08Å; I108-I116 HydrophobicContact CG2-CG2 4.12Å; I108-E120 HydrophobicContact CG2-CB 4.39Å; I108-E120 WeakPolarHBondContact O-CB 3.44Å; I108-E120 WeakPolarHBondContact O-CG 3.35Å; I108-L124 HydrophobicContact CD1-CD1 4.08Å; I108-L124 HydrophobicContact CD1-CD2 3.82Å; I108-L124 HydrophobicContact CD1-CG 4.46Å; I108-L124 HydrophobicContact CG1-CD1 4.15Å; I108-L124 HydrophobicContact CG1-CD2 4.36Å |
| 109 | D | 89.2 | Confident | 87.2 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.027 | 31% | 0.311 | C | S | . | . | trans | -77.9 | 96.3 | 173.6 | 173.8 | 5.7 | 0 | 0 | 0 | 108.2 | L105 N111 N112 D113 N114 | L105-D109 WeakPolarHBondContact O-CA 3.41Å; L105-D109 WeakPolarHBondContact O-CB 3.15Å; L105-D109 PolarHBondContact O-N 3.25Å; D109-N111 PolarHBondContact OD1-N 3.31Å; D109-N111 PolarHBondContact OD1-OD1 3.46Å; D109-N112 PolarHBondContact O-OD1 2.94Å; D109-N112 VanDerWaalsContact OD1-CA 3.24Å; D109-N112 WeakPolarHBondContact OD1-CA 3.17Å; D109-N112 PolarHBondContact OD1-N 2.98Å; D109-N112 WeakPolarHBondContact OD2-CA 3.34Å; D109-D113 PolarHBondContact OD1-N 3.3Å; D109-D113 PolarHBondContact OD2-N 2.95Å; D109-N114 VanDerWaalsContact OD2-CA 3.3Å; D109-N114 WeakPolarHBondContact OD2-CA 3.38Å; D109-N114 PolarHBondContact OD2-N 3.36Å | ||
| 110 | T | 83.9 | Confident | 87.4 | Confident | 52 Ų | 52 | 55.8 Ų | 55.8 | 32% | 0.319 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -87.7 | -16.9 | -174.9 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | I108 E120 R137 | I108-T110 PolarHBondContact O-N 3.22Å; T110-E120 PolarHBondContact N-OE1 2.91Å; T110-E120 PolarHBondContact OG1-OE1 3.18Å; T110-R137 PolarHBondContact OG1-NH2 3.42Å |
| 111 | N | 85.3 | Confident | 87.5 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -100.1 | -7.8 | -179 | 76.9 | 13.3 | 0 | 0 | 0 | 112 | D109 D113 | D109-N111 PolarHBondContact OD1-N 3.31Å; D109-N111 PolarHBondContact OD1-OD1 3.46Å; N111-D113 VanDerWaalsContact C-N 3.3Å; N111-D113 PolarHBondContact ND2-OD2 2.58Å; N111-D113 PolarHBondContact O-N 3.18Å; N111-D113 VanDerWaalsContact OD1-CB 3.3Å; N111-D113 WeakPolarHBondContact OD1-CB 3.36Å; N111-D113 PolarHBondContact OD1-N 3.35Å; N111-D113 PolarHBondContact OD1-OD1 3.27Å; N111-D113 PolarHBondContact OD1-OD2 2.87Å |
| 112 | N | 86.1 | Confident | 87.6 | Confident | 115 Ų | 115 | 52.4 Ų | 52.4 | 62% | 0.615 | 27% | 0.266 | S | S | * | . | trans | 58.3 | 33.2 | -179.6 | -66.4 | 27 | 0 | 0 | 0 | 113.8 | D109 N114 | D109-N112 PolarHBondContact O-OD1 2.94Å; D109-N112 VanDerWaalsContact OD1-CA 3.24Å; D109-N112 WeakPolarHBondContact OD1-CA 3.17Å; D109-N112 PolarHBondContact OD1-N 2.98Å; D109-N112 WeakPolarHBondContact OD2-CA 3.34Å; N112-N114 VanDerWaalsContact C-N 3.32Å | ||
| 113 | D | 88.7 | Confident | 87.5 | Confident | 70 Ų | 70 | 54.4 Ų | 54.4 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -87.1 | -1.2 | 176.1 | 72.1 | 9.1 | 0 | 0 | 0 | 113.4 | D109 N111 R115 | D109-D113 PolarHBondContact OD1-N 3.3Å; D109-D113 PolarHBondContact OD2-N 2.95Å; N111-D113 VanDerWaalsContact C-N 3.3Å; N111-D113 PolarHBondContact ND2-OD2 2.58Å; N111-D113 PolarHBondContact O-N 3.18Å; N111-D113 VanDerWaalsContact OD1-CB 3.3Å; N111-D113 WeakPolarHBondContact OD1-CB 3.36Å; N111-D113 PolarHBondContact OD1-N 3.35Å; N111-D113 PolarHBondContact OD1-OD1 3.27Å; N111-D113 PolarHBondContact OD1-OD2 2.87Å; D113-R115 PolarHBondContact O-N 3.41Å; D113-R115 WeakPolarHBondContact OD1-CA 3.42Å; D113-R115 WeakPolarHBondContact OD1-CB 3.42Å; D113-R115 PolarHBondContact OD1-N 2.93Å |
| 114 | N | 88.6 | Confident | 87.4 | Confident | 107 Ų | 107 | 52 Ų | 52 | 57% | 0.572 | 26% | 0.263 | S | S | * | . | S | Bend | trans | 58.9 | 29.5 | -172.7 | -54.8 | -78.4 | 0 | 0 | 0 | 113.4 | L72 D109 N112 | L72-N114 WeakPolarHBondContact CD2-O 3.36Å; D109-N114 VanDerWaalsContact OD2-CA 3.3Å; D109-N114 WeakPolarHBondContact OD2-CA 3.38Å; D109-N114 PolarHBondContact OD2-N 3.36Å; N112-N114 VanDerWaalsContact C-N 3.32Å |
| 115 | R | 91.6 | Very high | 87.3 | Confident | 111 Ų | 111 | 50.7 Ų | 50.7 | 42% | 0.419 | 26% | 0.256 | S | S | . | . | trans | -126.5 | 144.2 | 170.9 | -49.7 | -173.2 | 154.2 | 174.5 | -8.3 | 107 | F66 D68 D113 | F66-R115 HydrophobicContact CB-CB 4.18Å; F66-R115 HydrophobicContact CD1-CB 4.04Å; F66-R115 HydrophobicContact CG-CB 4.41Å; D68-R115 HydrophobicContact CB-CB 4.06Å; D68-R115 HydrophobicContact CB-CG 3.71Å; D68-R115 IonicContact OD2-CZ 3.29Å; D68-R115 VanDerWaalsContact OD2-CZ 3.28Å; D68-R115 IonicContact OD2-NE 2.7Å; D68-R115 PolarHBondContact OD2-NE 3.47Å; D68-R115 IonicContact OD2-NH2 2.84Å; D68-R115 PolarHBondContact OD2-NH2 3.24Å; D68-R115 VanDerWaalsContact OD2-NH2 3.11Å; D113-R115 PolarHBondContact O-N 3.41Å; D113-R115 WeakPolarHBondContact OD1-CA 3.42Å; D113-R115 WeakPolarHBondContact OD1-CB 3.42Å; D113-R115 PolarHBondContact OD1-N 2.93Å | ||
| 116 | I | 91.1 | Very high | 87 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 115 | 171.9 | -64.2 | 175.1 | 0 | 0 | 0 | 107.4 | W56 F66 I67 L72 F75 M76 I108 E120 L121 | W56-I116 WeakPolarHBondContact CH2-O 3.46Å; F66-I116 WeakPolarHBondContact CA-O 3.4Å; I67-I116 HydrophobicContact CB-CB 4.21Å; I67-I116 PolarHBondContact N-O 2.77Å; I67-I116 PolarHBondContact O-N 3.34Å; L72-I116 HydrophobicContact CD1-CD1 3.38Å; L72-I116 HydrophobicContact CD1-CG1 3.82Å; F75-I116 HydrophobicContact CD1-CD1 3.72Å; F75-I116 HydrophobicContact CE1-CD1 3.62Å; M76-I116 HydrophobicContact CE-CD1 3.55Å; I108-I116 HydrophobicContact CG2-CD1 3.78Å; I108-I116 HydrophobicContact CG2-CG1 4.08Å; I108-I116 HydrophobicContact CG2-CG2 4.12Å; I116-E120 HydrophobicContact CG2-CB 3.99Å; I116-L121 HydrophobicContact CG2-CB 4.16Å |
| 117 | D | 89.9 | Confident | 86.8 | Confident | 26 Ų | 26 | 45.9 Ų | 45.9 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 165.2 | 170.3 | 84.4 | 33.3 | 0 | 0 | 0 | 111.6 | F66 R119 E120 L121 | F66-D117 HydrophobicContact CD1-CB 4.09Å; F66-D117 HydrophobicContact CE1-CB 4.06Å; D117-R119 PolarHBondContact O-N 2.9Å; D117-R119 VanDerWaalsContact O-N 3.17Å; D117-R119 VanDerWaalsContact OD1-CA 3.23Å; D117-R119 WeakPolarHBondContact OD1-CA 3.27Å; D117-R119 WeakPolarHBondContact OD1-CB 3.37Å; D117-R119 PolarHBondContact OD1-N 2.8Å; D117-R119 IonicContact OD2-NH1 3.06Å; D117-E120 PolarHBondContact N-OE2 2.89Å; D117-E120 WeakPolarHBondContact O-CB 3.46Å; D117-E120 PolarHBondContact O-N 2.88Å; D117-E120 PolarHBondContact OD1-N 3.45Å; D117-L121 PolarHBondContact O-N 3.03Å |
| 118 | I | 88.3 | Confident | 86.5 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.1 | -30 | -178.1 | -165.5 | 167.5 | 0 | 0 | 0 | 113.8 | F52 W56 A122 F135 L200 F201 | F52-I118 HydrophobicContact CE1-CD1 4.11Å; F52-I118 HydrophobicContact CE1-CG1 3.8Å; F52-I118 HydrophobicContact CZ-CG1 4.06Å; W56-I118 HydrophobicContact CD2-CB 4.47Å; W56-I118 HydrophobicContact CD2-CD1 4.44Å; W56-I118 HydrophobicContact CD2-CG1 4.22Å; W56-I118 HydrophobicContact CE3-CB 4.16Å; W56-I118 HydrophobicContact CE3-CG1 4.02Å; W56-I118 HydrophobicContact CH2-CB 3.96Å; W56-I118 HydrophobicContact CZ2-CB 4.22Å; W56-I118 HydrophobicContact CZ3-CB 3.94Å; W56-I118 HydrophobicContact CZ3-CG1 4.3Å; I118-A122 WeakPolarHBondContact O-CB 3.48Å; I118-A122 PolarHBondContact O-N 3.03Å; I118-F135 HydrophobicContact CD1-CD1 4.47Å; I118-F135 HydrophobicContact CD1-CE1 3.81Å; I118-F135 HydrophobicContact CD1-CZ 4.07Å; I118-F135 HydrophobicContact CG1-CD1 4.39Å; I118-F135 HydrophobicContact CG1-CE1 4.19Å; I118-F135 HydrophobicContact CG2-CD1 3.92Å; I118-F135 HydrophobicContact CG2-CE1 4.13Å; I118-L200 HydrophobicContact CD1-CB 4.07Å; I118-L200 HydrophobicContact CD1-CD1 3.64Å; I118-L200 HydrophobicContact CD1-CD2 3.67Å; I118-L200 HydrophobicContact CD1-CG 3.99Å; I118-F201 HydrophobicContact CD1-CE2 3.98Å; I118-F201 HydrophobicContact CD1-CZ 4.01Å; I118-F201 HydrophobicContact CG2-CZ 4Å |
| 119 | R | 86.8 | Confident | 86.1 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 18% | 0.181 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -77.7 | -28.2 | 179.5 | -43.7 | -177.7 | -164.9 | 111.5 | 6.7 | 111.2 | D117 Q123 F135 R216 | D117-R119 PolarHBondContact O-N 2.9Å; D117-R119 VanDerWaalsContact O-N 3.17Å; D117-R119 VanDerWaalsContact OD1-CA 3.23Å; D117-R119 WeakPolarHBondContact OD1-CA 3.27Å; D117-R119 WeakPolarHBondContact OD1-CB 3.37Å; D117-R119 PolarHBondContact OD1-N 2.8Å; D117-R119 IonicContact OD2-NH1 3.06Å; R119-Q123 WeakPolarHBondContact O-CG 3.37Å; R119-Q123 PolarHBondContact O-N 3.24Å; R119-Q123 PolarHBondContact O-NE2 3.46Å; R119-F135 HydrophobicContact CB-CB 4.36Å; R119-F135 HydrophobicContact CG-CB 4.13Å; R119-R216 PolarHBondContact NH2-O 2.76Å; R119-R216 VanDerWaalsContact NH2-O 3.14Å |
| 120 | E | 89.1 | Confident | 85.6 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74 | -42.4 | 171.7 | -70.1 | 177.6 | 144.5 | 0 | 0 | 110.9 | I108 T110 I116 D117 A122 Q123 L124 | I108-E120 HydrophobicContact CG2-CB 4.39Å; I108-E120 WeakPolarHBondContact O-CB 3.44Å; I108-E120 WeakPolarHBondContact O-CG 3.35Å; T110-E120 PolarHBondContact N-OE1 2.91Å; T110-E120 PolarHBondContact OG1-OE1 3.18Å; I116-E120 HydrophobicContact CG2-CB 3.99Å; D117-E120 PolarHBondContact N-OE2 2.89Å; D117-E120 WeakPolarHBondContact O-CB 3.46Å; D117-E120 PolarHBondContact O-N 2.88Å; D117-E120 PolarHBondContact OD1-N 3.45Å; E120-A122 VanDerWaalsContact C-N 3.3Å; E120-A122 PolarHBondContact O-N 2.64Å; E120-Q123 WeakPolarHBondContact O-CB 3.3Å; E120-Q123 PolarHBondContact O-N 3.29Å; E120-L124 PolarHBondContact O-N 2.91Å |
| 121 | L | 88.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -38.8 | 172 | -169.8 | 68.4 | 0 | 0 | 0 | 111.9 | F52 W56 I67 F75 I116 D117 Q123 L124 L125 | F52-L121 HydrophobicContact CE2-CB 4.49Å; F52-L121 HydrophobicContact CE2-CD2 4.16Å; F52-L121 HydrophobicContact CE2-CG 4.1Å; F52-L121 HydrophobicContact CZ-CB 4.32Å; F52-L121 HydrophobicContact CZ-CD2 4.17Å; F52-L121 HydrophobicContact CZ-CG 4.3Å; W56-L121 HydrophobicContact CB-CD2 4.49Å; W56-L121 HydrophobicContact CE3-CB 4.07Å; W56-L121 HydrophobicContact CE3-CD2 3.54Å; W56-L121 HydrophobicContact CE3-CG 4.42Å; W56-L121 HydrophobicContact CZ3-CB 3.95Å; W56-L121 HydrophobicContact CZ3-CD2 4.18Å; I67-L121 HydrophobicContact CD1-CD2 4.45Å; F75-L121 HydrophobicContact CE1-CD1 4.31Å; F75-L121 HydrophobicContact CE2-CD1 3.92Å; F75-L121 HydrophobicContact CZ-CD1 3.5Å; F75-L121 VanDerWaalsContact CZ-CD1 3.5Å; I116-L121 HydrophobicContact CG2-CB 4.16Å; D117-L121 PolarHBondContact O-N 3.03Å; L121-Q123 PolarHBondContact O-N 3.46Å; L121-L124 HydrophobicContact CD1-CD2 4.24Å; L121-L124 WeakPolarHBondContact O-CB 3.36Å; L121-L124 PolarHBondContact O-N 2.75Å; L121-L125 HydrophobicContact CD1-CD1 4.02Å; L121-L125 HydrophobicContact CD1-CG 4.11Å; L121-L125 HydrophobicContact CD2-CD1 3.94Å; L121-L125 HydrophobicContact CG-CD1 3.87Å; L121-L125 HydrophobicContact CG-CG 4.17Å; L121-L125 PolarHBondContact O-N 3.26Å |
| 122 | A | 87.2 | Confident | 85.3 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.3 | -24.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F52 I118 E120 L132 F135 | F52-A122 HydrophobicContact CE2-CB 4.34Å; F52-A122 HydrophobicContact CZ-CB 4.12Å; I118-A122 WeakPolarHBondContact O-CB 3.48Å; I118-A122 PolarHBondContact O-N 3.03Å; E120-A122 VanDerWaalsContact C-N 3.3Å; E120-A122 PolarHBondContact O-N 2.64Å; A122-L132 HydrophobicContact CB-CD2 3.69Å; A122-F135 HydrophobicContact CB-CB 4.08Å; A122-F135 HydrophobicContact CB-CG 4.47Å |
| 123 | Q | 84 | Confident | 84.9 | Confident | 117 Ų | 117 | 43.9 Ų | 43.9 | 55% | 0.547 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -79.6 | -27.8 | 173.4 | -72.1 | 169.6 | 57.1 | 0 | 0 | 112.6 | R119 E120 L121 | R119-Q123 WeakPolarHBondContact O-CG 3.37Å; R119-Q123 PolarHBondContact O-N 3.24Å; R119-Q123 PolarHBondContact O-NE2 3.46Å; E120-Q123 WeakPolarHBondContact O-CB 3.3Å; E120-Q123 PolarHBondContact O-N 3.29Å; L121-Q123 PolarHBondContact O-N 3.46Å |
| 124 | L | 84.6 | Confident | 84.2 | Confident | 45 Ų | 45 | 41.2 Ų | 41.2 | 24% | 0.236 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -82.1 | -44.7 | 179.7 | -178.7 | 69.1 | 0 | 0 | 0 | 112.1 | F44 F75 L79 I108 E120 L121 P126 | F44-L124 HydrophobicContact CE2-CG 4.47Å; F75-L124 HydrophobicContact CE1-CD2 4.36Å; F75-L124 HydrophobicContact CZ-CD2 3.72Å; L79-L124 HydrophobicContact CD1-CD2 4.23Å; L79-L124 HydrophobicContact CD2-CD2 4.02Å; I108-L124 HydrophobicContact CD1-CD1 4.08Å; I108-L124 HydrophobicContact CD1-CD2 3.82Å; I108-L124 HydrophobicContact CD1-CG 4.46Å; I108-L124 HydrophobicContact CG1-CD1 4.15Å; I108-L124 HydrophobicContact CG1-CD2 4.36Å; E120-L124 PolarHBondContact O-N 2.91Å; L121-L124 HydrophobicContact CD1-CD2 4.24Å; L121-L124 WeakPolarHBondContact O-CB 3.36Å; L121-L124 PolarHBondContact O-N 2.75Å; L124-P126 WeakPolarHBondContact O-CD 3.2Å |
| 125 | L | 84.2 | Confident | 83.7 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -93.8 | 114.8 | -174.3 | -59.1 | -175.6 | 0 | 0 | 0 | 110.1 | L33 F44 F47 F52 V55 L121 T127 | L33-L125 HydrophobicContact CD2-CD2 4.41Å; F44-L125 HydrophobicContact CD1-CD2 4.39Å; F44-L125 HydrophobicContact CD2-CD2 3.99Å; F44-L125 HydrophobicContact CE1-CD2 4.45Å; F44-L125 HydrophobicContact CE2-CD2 4.05Å; F44-L125 HydrophobicContact CG-CD2 4.18Å; F44-L125 HydrophobicContact CZ-CD2 4.28Å; F47-L125 HydrophobicContact CD2-CB 4.09Å; F47-L125 HydrophobicContact CE2-CB 4.05Å; F47-L125 HydrophobicContact CE2-CD1 4.5Å; F47-L125 HydrophobicContact CE2-CD2 3.79Å; F47-L125 HydrophobicContact CE2-CG 4.32Å; F47-L125 HydrophobicContact CZ-CD1 4.4Å; F47-L125 HydrophobicContact CZ-CD2 3.94Å; F52-L125 HydrophobicContact CD2-CB 4.1Å; F52-L125 HydrophobicContact CD2-CD1 4.03Å; F52-L125 HydrophobicContact CE2-CB 4.19Å; F52-L125 HydrophobicContact CE2-CD1 4.16Å; V55-L125 HydrophobicContact CB-CD1 4.48Å; V55-L125 HydrophobicContact CG1-CD1 3.89Å; L121-L125 HydrophobicContact CD1-CD1 4.02Å; L121-L125 HydrophobicContact CD1-CG 4.11Å; L121-L125 HydrophobicContact CD2-CD1 3.94Å; L121-L125 HydrophobicContact CG-CD1 3.87Å; L121-L125 HydrophobicContact CG-CG 4.17Å; L121-L125 PolarHBondContact O-N 3.26Å; L125-T127 PolarHBondContact O-N 3.14Å; L125-T127 PolarHBondContact O-OG1 3Å |
| 126 | P | 80 | Confident | 82.9 | Confident | 44 Ų | 44 | 35.3 Ų | 35.3 | 29% | 0.286 | 17% | 0.174 | S | C | . | . | trans | -67.6 | 107.9 | 175.6 | 26.9 | -30.4 | 0 | 0 | 0 | 109 | F44 N46 F47 L124 | F44-P126 HydrophobicContact CB-CG 3.79Å; F44-P126 WeakPolarHBondContact O-CG 3.33Å; N46-P126 CarbonylContact C-O 3.59Å; N46-P126 VanDerWaalsContact CA-O 3.26Å; N46-P126 WeakPolarHBondContact CA-O 3.44Å; F47-P126 PolarHBondContact N-O 3.4Å; L124-P126 WeakPolarHBondContact O-CD 3.2Å | ||
| 127 | T | 82.5 | Confident | 81.4 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -115.7 | 169.3 | 177.4 | -50.6 | 0 | 0 | 0 | 0 | 108.8 | F47 F52 L125 E129 F131 L132 | F47-T127 WeakPolarHBondContact O-CA 3.35Å; F52-T127 HydrophobicContact CB-CG2 4.07Å; F52-T127 WeakPolarHBondContact CD2-OG1 3.31Å; L125-T127 PolarHBondContact O-N 3.14Å; L125-T127 PolarHBondContact O-OG1 3Å; T127-E129 PolarHBondContact O-N 3.02Å; T127-F131 HydrophobicContact CG2-CB 4.46Å; T127-F131 HydrophobicContact CG2-CD1 3.62Å; T127-F131 HydrophobicContact CG2-CE1 4.32Å; T127-F131 HydrophobicContact CG2-CG 4.43Å; T127-L132 WeakPolarHBondContact O-CD1 3.08Å |
| 128 | D | 79.9 | Confident | 80.3 | Confident | 39 Ų | 39 | 47.5 Ų | 47.5 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | trans | -46.4 | 125.6 | 174.1 | -66.4 | -27 | 0 | 0 | 0 | 111.3 | E130 F131 L132 | D128-E130 PolarHBondContact O-N 3.41Å; D128-F131 HydrophobicContact CB-CB 4.22Å; D128-F131 WeakPolarHBondContact O-CB 3.39Å; D128-F131 PolarHBondContact O-N 2.9Å; D128-L132 PolarHBondContact O-N 3.42Å | ||
| 129 | E | 77.6 | Confident | 79.3 | Confident | 159 Ų | 159 | 48.3 Ų | 48.3 | 74% | 0.743 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -56.5 | -36.7 | -177.6 | -78.7 | -175.4 | 170.1 | 0 | 0 | 110.9 | T127 F131 L132 I133 | T127-E129 PolarHBondContact O-N 3.02Å; E129-F131 VanDerWaalsContact C-N 3.34Å; E129-F131 PolarHBondContact O-N 3.17Å; E129-L132 PolarHBondContact O-N 3.44Å; E129-I133 WeakPolarHBondContact O-CG1 3.34Å; E129-I133 PolarHBondContact O-N 2.96Å |
| 130 | E | 78.2 | Confident | 78.8 | Confident | 52 Ų | 52 | 48.8 Ų | 48.8 | 24% | 0.243 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -37.5 | 178 | -55.8 | 96.1 | 144.9 | 0 | 0 | 112.3 | D128 L175 V179 K189 Y193 | D128-E130 PolarHBondContact O-N 3.41Å; E130-L175 WeakPolarHBondContact O-CD2 3.28Å; E130-V179 HydrophobicContact CB-CG2 4.17Å; E130-V179 HydrophobicContact CG-CG2 3.58Å; E130-K189 IonicContact OE1-NZ 3.03Å; E130-K189 PolarHBondContact OE1-NZ 2.65Å; E130-K189 IonicContact OE2-NZ 2.68Å; E130-Y193 HydrophobicContact CB-CE2 4.15Å |
| 131 | F | 81.7 | Confident | 78.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73 | -42.3 | 175.2 | -179 | -109.9 | 0 | 0 | 0 | 111.4 | A49 F52 T127 D128 E129 I133 L134 F135 Y193 T196 I197 L200 | A49-F131 HydrophobicContact CB-CB 4.24Å; A49-F131 HydrophobicContact CB-CD1 3.97Å; A49-F131 HydrophobicContact CB-CD2 3.59Å; A49-F131 HydrophobicContact CB-CE1 4.15Å; A49-F131 HydrophobicContact CB-CE2 3.82Å; A49-F131 HydrophobicContact CB-CG 3.67Å; A49-F131 HydrophobicContact CB-CZ 4.09Å; F52-F131 HydrophobicContact CB-CE1 4.41Å; F52-F131 AromaticContact CD1-CE1 3.75Å; F52-F131 HydrophobicContact CD1-CE1 3.75Å; F52-F131 HydrophobicContact CD1-CZ 4.39Å; F52-F131 HydrophobicContact CE1-CE1 4.32Å; F52-F131 HydrophobicContact CG-CE1 4.2Å; T127-F131 HydrophobicContact CG2-CB 4.46Å; T127-F131 HydrophobicContact CG2-CD1 3.62Å; T127-F131 HydrophobicContact CG2-CE1 4.32Å; T127-F131 HydrophobicContact CG2-CG 4.43Å; D128-F131 HydrophobicContact CB-CB 4.22Å; D128-F131 WeakPolarHBondContact O-CB 3.39Å; D128-F131 PolarHBondContact O-N 2.9Å; E129-F131 VanDerWaalsContact C-N 3.34Å; E129-F131 PolarHBondContact O-N 3.17Å; F131-I133 PolarHBondContact O-N 3.3Å; F131-L134 HydrophobicContact CD2-CD1 3.96Å; F131-L134 HydrophobicContact CE2-CD1 4.15Å; F131-L134 VanDerWaalsContact O-CB 3.3Å; F131-L134 WeakPolarHBondContact O-CB 3.46Å; F131-L134 VanDerWaalsContact O-CG 3.3Å; F131-L134 WeakPolarHBondContact O-CG 3.36Å; F131-L134 PolarHBondContact O-N 3.36Å; F131-F135 AromaticContact CD1-CE2 3.9Å; F131-F135 HydrophobicContact CD1-CE2 3.9Å; F131-F135 HydrophobicContact CD2-CE2 4.49Å; F131-F135 HydrophobicContact CE1-CD2 4.3Å; F131-F135 AromaticContact CE1-CE2 3.4Å; F131-F135 HydrophobicContact CE1-CE2 3.4Å; F131-F135 VanDerWaalsContact CE1-CE2 3.4Å; F131-F135 HydrophobicContact CE1-CZ 4.17Å; F131-F135 HydrophobicContact CE2-CE2 4.03Å; F131-F135 HydrophobicContact CE2-CZ 4.36Å; F131-F135 HydrophobicContact CG-CE2 4.44Å; F131-F135 AromaticContact CZ-CE2 3.47Å; F131-F135 HydrophobicContact CZ-CE2 3.47Å; F131-F135 VanDerWaalsContact CZ-CE2 3.47Å; F131-F135 AromaticContact CZ-CZ 3.82Å; F131-F135 HydrophobicContact CZ-CZ 3.82Å; F131-Y193 HydrophobicContact CB-CD1 4.18Å; F131-Y193 HydrophobicContact CB-CE1 3.75Å; F131-Y193 HydrophobicContact CB-CE2 4.4Å; F131-Y193 AromaticContact CD2-CD1 3.63Å; F131-Y193 HydrophobicContact CD2-CD1 3.63Å; F131-Y193 HydrophobicContact CD2-CE1 4.09Å; F131-Y193 AromaticContact CD2-CG 3.92Å; F131-Y193 HydrophobicContact CD2-CG 3.92Å; F131-Y193 HydrophobicContact CE2-CD1 4.44Å; F131-Y193 HydrophobicContact CG-CD1 4.25Å; F131-Y193 HydrophobicContact CG-CE1 4.26Å; F131-T196 HydrophobicContact CE1-CG2 4.48Å; F131-T196 HydrophobicContact CE2-CG2 3.94Å; F131-T196 HydrophobicContact CZ-CG2 3.58Å; F131-I197 HydrophobicContact CE2-CD1 3.91Å; F131-I197 HydrophobicContact CE2-CG1 4.29Å; F131-I197 HydrophobicContact CZ-CD1 4.28Å; F131-L200 HydrophobicContact CZ-CD1 3.96Å |
| 132 | L | 81.5 | Confident | 77.9 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 16% | 0.157 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -26.5 | -178.9 | -70.9 | -178.8 | 0 | 0 | 0 | 113.1 | A122 T127 D128 E129 L134 F135 Q136 | A122-L132 HydrophobicContact CB-CD2 3.69Å; T127-L132 WeakPolarHBondContact O-CD1 3.08Å; D128-L132 PolarHBondContact O-N 3.42Å; E129-L132 PolarHBondContact O-N 3.44Å; L132-L134 PolarHBondContact O-N 2.98Å; L132-L134 VanDerWaalsContact O-N 3.16Å; L132-F135 PolarHBondContact O-N 3.38Å; L132-Q136 WeakPolarHBondContact O-CG 3.41Å; L132-Q136 PolarHBondContact O-N 3.07Å |
| 133 | I | 78.1 | Confident | 77.8 | Confident | 45 Ų | 45 | 51.9 Ų | 51.9 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -47.9 | -42.6 | 171.2 | -78.1 | 171 | 0 | 0 | 0 | 109.9 | E129 F131 F135 Q136 N139 | E129-I133 WeakPolarHBondContact O-CG1 3.34Å; E129-I133 PolarHBondContact O-N 2.96Å; F131-I133 PolarHBondContact O-N 3.3Å; I133-F135 PolarHBondContact O-N 3.07Å; I133-Q136 PolarHBondContact O-N 3.42Å; I133-Q136 VanDerWaalsContact O-N 3.13Å; I133-N139 WeakPolarHBondContact CG2-ND2 3.08Å; I133-N139 PolarHBondContact O-ND2 3.02Å |
| 134 | L | 75.2 | Confident | 78 | Confident | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -56 | -27.9 | -179.9 | -55.1 | 177 | 0 | 0 | 0 | 113.8 | F131 L132 L171 L174 I197 | F131-L134 HydrophobicContact CD2-CD1 3.96Å; F131-L134 HydrophobicContact CE2-CD1 4.15Å; F131-L134 VanDerWaalsContact O-CB 3.3Å; F131-L134 WeakPolarHBondContact O-CB 3.46Å; F131-L134 VanDerWaalsContact O-CG 3.3Å; F131-L134 WeakPolarHBondContact O-CG 3.36Å; F131-L134 PolarHBondContact O-N 3.36Å; L132-L134 PolarHBondContact O-N 2.98Å; L132-L134 VanDerWaalsContact O-N 3.16Å; L134-L171 HydrophobicContact CD1-CD2 3.78Å; L134-L171 HydrophobicContact CD2-CD2 3.72Å; L134-L171 HydrophobicContact CG-CD2 4.44Å; L134-L174 HydrophobicContact CD2-CD2 3.28Å; L134-L174 HydrophobicContact CD2-CG 4.2Å; L134-I197 HydrophobicContact CD1-CD1 3.82Å; L134-I197 HydrophobicContact CD1-CG1 4.01Å |
| 135 | F | 77.4 | Confident | 78.1 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.035 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -106.8 | -2.5 | -175.4 | -53.6 | -66.2 | 0 | 0 | 0 | 114 | I118 R119 A122 F131 L132 I133 R137 I197 L200 F201 L217 | I118-F135 HydrophobicContact CD1-CD1 4.47Å; I118-F135 HydrophobicContact CD1-CE1 3.81Å; I118-F135 HydrophobicContact CD1-CZ 4.07Å; I118-F135 HydrophobicContact CG1-CD1 4.39Å; I118-F135 HydrophobicContact CG1-CE1 4.19Å; I118-F135 HydrophobicContact CG2-CD1 3.92Å; I118-F135 HydrophobicContact CG2-CE1 4.13Å; R119-F135 HydrophobicContact CB-CB 4.36Å; R119-F135 HydrophobicContact CG-CB 4.13Å; A122-F135 HydrophobicContact CB-CB 4.08Å; A122-F135 HydrophobicContact CB-CG 4.47Å; F131-F135 AromaticContact CD1-CE2 3.9Å; F131-F135 HydrophobicContact CD1-CE2 3.9Å; F131-F135 HydrophobicContact CD2-CE2 4.49Å; F131-F135 HydrophobicContact CE1-CD2 4.3Å; F131-F135 AromaticContact CE1-CE2 3.4Å; F131-F135 HydrophobicContact CE1-CE2 3.4Å; F131-F135 VanDerWaalsContact CE1-CE2 3.4Å; F131-F135 HydrophobicContact CE1-CZ 4.17Å; F131-F135 HydrophobicContact CE2-CE2 4.03Å; F131-F135 HydrophobicContact CE2-CZ 4.36Å; F131-F135 HydrophobicContact CG-CE2 4.44Å; F131-F135 AromaticContact CZ-CE2 3.47Å; F131-F135 HydrophobicContact CZ-CE2 3.47Å; F131-F135 VanDerWaalsContact CZ-CE2 3.47Å; F131-F135 AromaticContact CZ-CZ 3.82Å; F131-F135 HydrophobicContact CZ-CZ 3.82Å; L132-F135 PolarHBondContact O-N 3.38Å; I133-F135 PolarHBondContact O-N 3.07Å; F135-R137 PolarHBondContact O-N 3.07Å; F135-I197 HydrophobicContact CE1-CD1 4.32Å; F135-I197 HydrophobicContact CE2-CD1 4.47Å; F135-I197 HydrophobicContact CZ-CD1 3.62Å; F135-L200 HydrophobicContact CZ-CD1 4.21Å; F135-F201 AromaticContact CE1-CE2 3.69Å; F135-F201 HydrophobicContact CE1-CE2 3.69Å; F135-F201 AromaticContact CE1-CZ 3.78Å; F135-F201 HydrophobicContact CE1-CZ 3.78Å; F135-F201 HydrophobicContact CZ-CE2 4.21Å; F135-L217 HydrophobicContact CE1-CD1 4.48Å |
| 136 | Q | 74.4 | Confident | 78.3 | Confident | 85 Ų | 85 | 45 Ų | 45 | 40% | 0.397 | 22% | 0.216 | S | C | . | . | trans | -66.1 | 137.2 | 179.5 | -75.1 | 175.7 | 34.5 | 0 | 0 | 110.5 | L132 I133 E138 N139 | L132-Q136 WeakPolarHBondContact O-CG 3.41Å; L132-Q136 PolarHBondContact O-N 3.07Å; I133-Q136 PolarHBondContact O-N 3.42Å; I133-Q136 VanDerWaalsContact O-N 3.13Å; Q136-E138 PolarHBondContact O-N 2.62Å; Q136-N139 WeakPolarHBondContact O-CB 3.4Å; Q136-N139 PolarHBondContact O-N 3.01Å | ||
| 137 | R | 60.5 | Low | 78.7 | Confident | 141 Ų | 141 | 43 Ų | 43 | 53% | 0.532 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -56.1 | -26.5 | 179.2 | -81.8 | -176.5 | 170 | 169.2 | 0.5 | 113.6 | T110 F135 N139 K140 | T110-R137 PolarHBondContact OG1-NH2 3.42Å; F135-R137 PolarHBondContact O-N 3.07Å; R137-N139 PolarHBondContact O-N 3.04Å; R137-K140 WeakPolarHBondContact O-CG 3.24Å |
| 138 | E | 65.5 | Low | 79.1 | Confident | 142 Ų | 142 | 42.8 Ų | 42.8 | 66% | 0.664 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -68.8 | -16.3 | 179.3 | -61.1 | -176.9 | -177.6 | 0 | 0 | 112.7 | Q136 K140 R364 | Q136-E138 PolarHBondContact O-N 2.62Å; E138-K140 VanDerWaalsContact C-N 3.3Å; E138-K140 PolarHBondContact O-N 3.45Å; E138-R364 PolarHBondContact O-NH1 2.96Å |
| 139 | N | 68.1 | Low | 79.6 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 15% | 0.15 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -92.7 | 20.8 | -177.6 | -71.7 | 6.2 | 0 | 0 | 0 | 114.3 | I133 Q136 R137 W361 | I133-N139 WeakPolarHBondContact CG2-ND2 3.08Å; I133-N139 PolarHBondContact O-ND2 3.02Å; Q136-N139 WeakPolarHBondContact O-CB 3.4Å; Q136-N139 PolarHBondContact O-N 3.01Å; R137-N139 PolarHBondContact O-N 3.04Å; N139-W361 VanDerWaalsContact CA-CH2 3.49Å; N139-W361 VanDerWaalsContact CA-CZ3 3.5Å; N139-W361 HydrophobicContact CB-CH2 3.62Å; N139-W361 HydrophobicContact CB-CZ3 3.74Å; N139-W361 VanDerWaalsContact O-CH2 3.28Å; N139-W361 WeakPolarHBondContact O-CH2 3.43Å; N139-W361 WeakPolarHBondContact OD1-CZ3 2.85Å |
| 140 | K | 75.6 | Confident | 80.1 | Confident | 57 Ų | 57 | 35.8 Ų | 35.8 | 25% | 0.248 | 17% | 0.167 | C | C | . | . | trans | -75.5 | 138.8 | 170.7 | -70.7 | 178.4 | 177.2 | -162.1 | 0 | 110.9 | R137 E138 P219 E221 | R137-K140 WeakPolarHBondContact O-CG 3.24Å; E138-K140 VanDerWaalsContact C-N 3.3Å; E138-K140 PolarHBondContact O-N 3.45Å; K140-P219 CarbonylContact C-O 3.57Å; K140-P219 VanDerWaalsContact CA-O 3.24Å; K140-P219 WeakPolarHBondContact CA-O 3.38Å; K140-P219 HydrophobicContact CG-CB 4.2Å; K140-P219 HydrophobicContact CG-CG 3.8Å; K140-E221 HydrophobicContact CB-CG 3.8Å | ||
| 141 | L | 79.9 | Confident | 80.7 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -75.5 | 147.9 | 169.4 | -67.4 | 177.7 | 0 | 0 | 0 | 110.5 | S143 F147 V150 I218 P219 V220 E221 W361 | L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.28Å; L141-F147 VanDerWaalsContact CD1-CA 3.47Å; L141-F147 HydrophobicContact CD1-CB 3.92Å; L141-F147 HydrophobicContact CD1-CD2 4.12Å; L141-F147 HydrophobicContact CD1-CG 4.48Å; L141-V150 HydrophobicContact CD1-CB 4.45Å; L141-V150 HydrophobicContact CD1-CG2 4.14Å; L141-V150 HydrophobicContact CD2-CG2 4.4Å; L141-I218 HydrophobicContact CD1-CG2 3.62Å; L141-I218 HydrophobicContact CG-CG2 3.68Å; L141-P219 PolarHBondContact N-O 3.39Å; L141-V220 HydrophobicContact CB-CG1 4.18Å; L141-V220 CarbonylContact O-C 3.33Å; L141-V220 VanDerWaalsContact O-CA 3.24Å; L141-V220 WeakPolarHBondContact O-CA 3.44Å; L141-E221 PolarHBondContact O-N 3.01Å; L141-W361 HydrophobicContact CD2-CZ2 3.85Å |
| 142 | N | 80.5 | Confident | 81.1 | Confident | 60 Ų | 60 | 35.8 Ų | 35.8 | 32% | 0.321 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -69.8 | -29.5 | -174.9 | -54.7 | -48.9 | 0 | 0 | 0 | 112.8 | R364 | N142-R364 PolarHBondContact OD1-NH2 3.43Å; N142-R364 VanDerWaalsContact OD1-NH2 3.07Å |
| 143 | S | 85 | Confident | 81.4 | Confident | 12 Ų | 12 | 35.7 Ų | 35.7 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | trans | -151.9 | 158.6 | -174.1 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | L141 V145 D146 F147 V220 | L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.28Å; S143-V145 PolarHBondContact O-N 2.86Å; S143-D146 PolarHBondContact O-N 3.13Å; S143-D146 VanDerWaalsContact O-N 3.13Å; S143-D146 VanDerWaalsContact OG-CG 3.25Å; S143-D146 PolarHBondContact OG-N 3.21Å; S143-D146 VanDerWaalsContact OG-N 3.07Å; S143-D146 PolarHBondContact OG-OD2 3.39Å; S143-D146 VanDerWaalsContact OG-OD2 3.11Å; S143-F147 PolarHBondContact O-N 3.23Å; S143-V220 WeakPolarHBondContact O-CG1 3.39Å | ||
| 144 | S | 87 | Confident | 81.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.3 | -21.7 | 171 | -75.8 | 0 | 0 | 0 | 0 | 113.4 | F147 M148 G263 K266 D267 | S144-F147 WeakPolarHBondContact O-CB 3.3Å; S144-F147 PolarHBondContact O-N 2.99Å; S144-M148 WeakPolarHBondContact O-CG 3.49Å; S144-M148 PolarHBondContact O-N 2.68Å; S144-G263 WeakPolarHBondContact CB-O 3.32Å; S144-K266 PolarHBondContact OG-NZ 3.16Å; S144-D267 VanDerWaalsContact CB-OD1 3.26Å; S144-D267 WeakPolarHBondContact CB-OD1 3.28Å; S144-D267 WeakPolarHBondContact CB-OD2 3.33Å; S144-D267 VanDerWaalsContact OG-CG 3.24Å; S144-D267 PolarHBondContact OG-OD1 3.03Å; S144-D267 PolarHBondContact OG-OD2 2.93Å |
| 145 | V | 87.6 | Confident | 82.7 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.5 | -44.1 | 169.6 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | S143 F147 M148 K149 Y248 T250 E260 | S143-V145 PolarHBondContact O-N 2.86Å; V145-F147 VanDerWaalsContact C-N 3.32Å; V145-M148 PolarHBondContact O-N 3Å; V145-K149 WeakPolarHBondContact O-CG 3.28Å; V145-K149 PolarHBondContact O-N 3.01Å; V145-Y248 HydrophobicContact CG2-CD1 3.85Å; V145-T250 HydrophobicContact CB-CG2 4.27Å; V145-T250 HydrophobicContact CG1-CG2 4.16Å; V145-T250 HydrophobicContact CG2-CG2 4.28Å; V145-E260 HydrophobicContact CG1-CG 4.1Å |
| 146 | D | 87.3 | Confident | 83.1 | Confident | 18 Ų | 18 | 37.1 Ų | 37.1 | 10% | 0.096 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.6 | -35.1 | 175.8 | -65 | -31.5 | 0 | 0 | 0 | 111.8 | S143 K149 V150 T360 | S143-D146 PolarHBondContact O-N 3.13Å; S143-D146 VanDerWaalsContact O-N 3.13Å; S143-D146 VanDerWaalsContact OG-CG 3.25Å; S143-D146 PolarHBondContact OG-N 3.21Å; S143-D146 VanDerWaalsContact OG-N 3.07Å; S143-D146 PolarHBondContact OG-OD2 3.39Å; S143-D146 VanDerWaalsContact OG-OD2 3.11Å; D146-K149 WeakPolarHBondContact O-CB 3.21Å; D146-K149 PolarHBondContact O-N 2.97Å; D146-K149 IonicContact OD1-NZ 3.83Å; D146-K149 PolarHBondContact OD1-NZ 3.42Å; D146-V150 WeakPolarHBondContact O-CG2 3.3Å; D146-V150 PolarHBondContact O-N 2.88Å; D146-T360 HydrophobicContact CB-CG2 4.27Å |
| 147 | F | 89.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.9 | -50.1 | 169.1 | 178.4 | -87.1 | 0 | 0 | 0 | 111.5 | L141 S143 S144 V145 K149 V150 W151 L211 M214 S215 I218 V220 K266 | L141-F147 VanDerWaalsContact CD1-CA 3.47Å; L141-F147 HydrophobicContact CD1-CB 3.92Å; L141-F147 HydrophobicContact CD1-CD2 4.12Å; L141-F147 HydrophobicContact CD1-CG 4.48Å; S143-F147 PolarHBondContact O-N 3.23Å; S144-F147 WeakPolarHBondContact O-CB 3.3Å; S144-F147 PolarHBondContact O-N 2.99Å; V145-F147 VanDerWaalsContact C-N 3.32Å; F147-K149 VanDerWaalsContact C-N 3.26Å; F147-K149 PolarHBondContact O-N 3.45Å; F147-V150 PolarHBondContact O-N 3.28Å; F147-V150 VanDerWaalsContact O-N 3.09Å; F147-W151 HydrophobicContact CE1-CB 4.29Å; F147-W151 HydrophobicContact CE1-CE3 4.44Å; F147-W151 HydrophobicContact CZ-CE3 4.28Å; F147-W151 WeakPolarHBondContact O-CB 3.49Å; F147-W151 PolarHBondContact O-N 3.37Å; F147-L211 HydrophobicContact CE1-CD2 4.43Å; F147-L211 HydrophobicContact CE1-CG 4.29Å; F147-M214 HydrophobicContact CE2-CG 4.08Å; F147-M214 WeakPolarHBondContact CE2-O 3.43Å; F147-M214 HydrophobicContact CZ-CB 4.08Å; F147-M214 HydrophobicContact CZ-CG 3.94Å; F147-S215 VanDerWaalsContact CE2-CA 3.46Å; F147-I218 HydrophobicContact CD2-CB 4.44Å; F147-I218 HydrophobicContact CE2-CB 4.31Å; F147-V220 HydrophobicContact CB-CG1 3.86Å; F147-K266 HydrophobicContact CD1-CD 3.53Å; F147-K266 HydrophobicContact CE1-CD 3.89Å; F147-K266 HydrophobicContact CG-CD 4.28Å |
| 148 | M | 90.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -32.5 | 179.5 | -71 | -54.2 | -48.1 | 0 | 0 | 112.6 | S144 V145 W151 R152 L211 Y262 K266 | S144-M148 WeakPolarHBondContact O-CG 3.49Å; S144-M148 PolarHBondContact O-N 2.68Å; V145-M148 PolarHBondContact O-N 3Å; M148-W151 HydrophobicContact CE-CG 4.33Å; M148-R152 WeakPolarHBondContact O-CB 3.11Å; M148-R152 WeakPolarHBondContact O-CG 3.41Å; M148-R152 PolarHBondContact O-N 2.9Å; M148-L211 HydrophobicContact CE-CD1 4Å; M148-L211 HydrophobicContact SD-CD1 4.07Å; M148-Y262 HydrophobicContact CE-CD1 3.94Å; M148-Y262 HydrophobicContact CE-CG 4.29Å; M148-K266 HydrophobicContact SD-CB 4.47Å; M148-K266 HydrophobicContact SD-CD 4.35Å |
| 149 | K | 89.2 | Confident | 86.3 | Confident | 47 Ų | 47 | 28.6 Ų | 28.6 | 20% | 0.204 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.9 | -47.3 | 171.5 | -69.4 | 169.2 | -169.2 | 156.5 | 0 | 111.5 | V145 D146 F147 E153 L259 I356 | V145-K149 WeakPolarHBondContact O-CG 3.28Å; V145-K149 PolarHBondContact O-N 3.01Å; D146-K149 WeakPolarHBondContact O-CB 3.21Å; D146-K149 PolarHBondContact O-N 2.97Å; D146-K149 IonicContact OD1-NZ 3.83Å; D146-K149 PolarHBondContact OD1-NZ 3.42Å; F147-K149 VanDerWaalsContact C-N 3.26Å; F147-K149 PolarHBondContact O-N 3.45Å; K149-E153 VanDerWaalsContact O-CB 3.3Å; K149-E153 WeakPolarHBondContact O-CB 3.49Å; K149-E153 PolarHBondContact O-N 2.89Å; K149-E153 VanDerWaalsContact O-N 3.07Å; K149-L259 HydrophobicContact CB-CD1 4.46Å; K149-L259 HydrophobicContact CG-CD1 3.58Å; K149-I356 HydrophobicContact CB-CD1 4.34Å; K149-I356 HydrophobicContact CB-CG2 3.81Å; K149-I356 HydrophobicContact CD-CG2 4.17Å |
| 150 | V | 88.5 | Confident | 87.3 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.03 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 177.4 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | L141 D146 F147 R152 E153 F154 F170 I218 | L141-V150 HydrophobicContact CD1-CB 4.45Å; L141-V150 HydrophobicContact CD1-CG2 4.14Å; L141-V150 HydrophobicContact CD2-CG2 4.4Å; D146-V150 WeakPolarHBondContact O-CG2 3.3Å; D146-V150 PolarHBondContact O-N 2.88Å; F147-V150 PolarHBondContact O-N 3.28Å; F147-V150 VanDerWaalsContact O-N 3.09Å; V150-R152 PolarHBondContact O-N 2.59Å; V150-E153 WeakPolarHBondContact O-CB 3.3Å; V150-E153 PolarHBondContact O-N 3.2Å; V150-F154 HydrophobicContact CG1-CD2 3.92Å; V150-F154 HydrophobicContact CG1-CE2 4.06Å; V150-F154 VanDerWaalsContact O-CD2 3.28Å; V150-F154 WeakPolarHBondContact O-CD2 3.47Å; V150-F154 PolarHBondContact O-N 3.35Å; V150-F170 HydrophobicContact CG1-CD2 4.39Å; V150-F170 HydrophobicContact CG1-CE2 4.05Å; V150-I218 HydrophobicContact CG1-CD1 4.3Å |
| 151 | W | 90.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -54 | -54.4 | 175.9 | 176.1 | -88.9 | 0 | 0 | 0 | 111.6 | F147 M148 E153 F154 D155 G160 I162 Q210 L211 M214 E278 | F147-W151 HydrophobicContact CE1-CB 4.29Å; F147-W151 HydrophobicContact CE1-CE3 4.44Å; F147-W151 HydrophobicContact CZ-CE3 4.28Å; F147-W151 WeakPolarHBondContact O-CB 3.49Å; F147-W151 PolarHBondContact O-N 3.37Å; M148-W151 HydrophobicContact CE-CG 4.33Å; W151-E153 PolarHBondContact O-N 3.15Å; W151-F154 PolarHBondContact O-N 2.94Å; W151-D155 WeakPolarHBondContact O-CB 3.36Å; W151-D155 PolarHBondContact O-N 3.47Å; W151-G160 WeakPolarHBondContact CZ2-O 3.24Å; W151-I162 HydrophobicContact CE3-CD1 4.47Å; W151-I162 HydrophobicContact CE3-CG1 4.05Å; W151-I162 HydrophobicContact CH2-CG1 3.96Å; W151-I162 HydrophobicContact CZ3-CD1 4.45Å; W151-I162 HydrophobicContact CZ3-CG1 3.63Å; W151-Q210 VanDerWaalsContact CH2-C 3.46Å; W151-L211 HydrophobicContact CD2-CD1 3.91Å; W151-L211 HydrophobicContact CD2-CG 4.2Å; W151-L211 HydrophobicContact CE3-CD1 4.49Å; W151-L211 HydrophobicContact CE3-CG 4.29Å; W151-L211 HydrophobicContact CG-CD1 4.2Å; W151-L211 VanDerWaalsContact CH2-CA 3.47Å; W151-L211 HydrophobicContact CH2-CB 3.95Å; W151-L211 HydrophobicContact CH2-CG 4.47Å; W151-L211 VanDerWaalsContact CH2-N 3.31Å; W151-L211 HydrophobicContact CZ2-CB 4.02Å; W151-L211 HydrophobicContact CZ2-CD1 4.05Å; W151-L211 HydrophobicContact CZ2-CG 4.34Å; W151-L211 HydrophobicContact CZ3-CB 4.24Å; W151-L211 HydrophobicContact CZ3-CG 4.45Å; W151-M214 HydrophobicContact CE3-CB 3.75Å; W151-M214 HydrophobicContact CE3-CG 3.67Å; W151-M214 HydrophobicContact CZ3-CB 3.39Å; W151-M214 HydrophobicContact CZ3-CG 3.77Å; W151-E278 PolarHBondContact NE1-OE2 3.16Å |
| 152 | R | 89.9 | Confident | 88.8 | Confident | 51 Ų | 51 | 26 Ų | 26 | 19% | 0.192 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64 | -24.7 | -179.6 | -72 | -72.5 | -170.4 | -163.5 | -7.2 | 114.1 | M148 V150 L259 Y262 E278 | M148-R152 WeakPolarHBondContact O-CB 3.11Å; M148-R152 WeakPolarHBondContact O-CG 3.41Å; M148-R152 PolarHBondContact O-N 2.9Å; V150-R152 PolarHBondContact O-N 2.59Å; R152-L259 HydrophobicContact CG-CD2 3.79Å; R152-Y262 VanDerWaalsContact NH2-CE1 3.32Å; R152-E278 IonicContact CZ-OE1 3.85Å; R152-E278 IonicContact CZ-OE2 3.93Å; R152-E278 IonicContact NH1-OE1 2.77Å; R152-E278 PolarHBondContact NH1-OE1 3.08Å; R152-E278 IonicContact NH1-OE2 2.71Å; R152-E278 IonicContact NH2-OE1 3.95Å; R152-E278 PolarHBondContact NH2-OE1 2.89Å |
| 153 | E | 88.5 | Confident | 89.4 | Confident | 28 Ų | 28 | 27.2 Ų | 27.2 | 13% | 0.131 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.9 | -39.6 | 178.3 | -178.5 | 55 | -146.2 | 0 | 0 | 111.6 | K149 V150 W151 R353 I357 | K149-E153 VanDerWaalsContact O-CB 3.3Å; K149-E153 WeakPolarHBondContact O-CB 3.49Å; K149-E153 PolarHBondContact O-N 2.89Å; K149-E153 VanDerWaalsContact O-N 3.07Å; V150-E153 WeakPolarHBondContact O-CB 3.3Å; V150-E153 PolarHBondContact O-N 3.2Å; W151-E153 PolarHBondContact O-N 3.15Å; E153-R353 VanDerWaalsContact CD-CA 3.49Å; E153-R353 VanDerWaalsContact OE1-CA 3.26Å; E153-R353 WeakPolarHBondContact OE1-CA 3.5Å; E153-R353 WeakPolarHBondContact OE1-CB 3.38Å; E153-R353 WeakPolarHBondContact OE1-CD 3.46Å; E153-R353 WeakPolarHBondContact OE1-CG 3.25Å; E153-R353 VanDerWaalsContact OE2-CA 3.25Å; E153-R353 WeakPolarHBondContact OE2-CA 3.24Å; E153-R353 WeakPolarHBondContact OE2-CG 3.29Å; E153-I357 HydrophobicContact CG-CD1 4.49Å |
| 154 | F | 89.7 | Confident | 89.7 | Confident | 11 Ų | 11 | 28 Ų | 28 | 5% | 0.048 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -95.7 | -28.7 | -175.9 | -71.5 | -74.3 | 0 | 0 | 0 | 114.3 | V150 W151 K156 I162 E166 D169 F170 E173 I357 | V150-F154 HydrophobicContact CG1-CD2 3.92Å; V150-F154 HydrophobicContact CG1-CE2 4.06Å; V150-F154 VanDerWaalsContact O-CD2 3.28Å; V150-F154 WeakPolarHBondContact O-CD2 3.47Å; V150-F154 PolarHBondContact O-N 3.35Å; W151-F154 PolarHBondContact O-N 2.94Å; F154-K156 PolarHBondContact O-N 3.23Å; F154-I162 HydrophobicContact CB-CD1 3.84Å; F154-E166 WeakPolarHBondContact O-CB 3.38Å; F154-E166 WeakPolarHBondContact O-CG 3.4Å; F154-E166 VanDerWaalsContact O-OE1 3.05Å; F154-D169 HydrophobicContact CD1-CB 4.45Å; F154-D169 HydrophobicContact CE1-CB 4.43Å; F154-F170 HydrophobicContact CD1-CB 3.68Å; F154-F170 HydrophobicContact CD2-CB 4.24Å; F154-F170 AromaticContact CD2-CD2 3.66Å; F154-F170 HydrophobicContact CD2-CD2 3.66Å; F154-F170 HydrophobicContact CD2-CG 4.41Å; F154-F170 HydrophobicContact CE1-CB 3.82Å; F154-F170 HydrophobicContact CE1-CD2 4.41Å; F154-F170 HydrophobicContact CE2-CB 4.36Å; F154-F170 AromaticContact CE2-CD2 3.5Å; F154-F170 HydrophobicContact CE2-CD2 3.5Å; F154-F170 HydrophobicContact CE2-CE2 4.31Å; F154-F170 HydrophobicContact CE2-CG 4.42Å; F154-F170 HydrophobicContact CG-CB 3.91Å; F154-F170 HydrophobicContact CG-CD2 4.21Å; F154-F170 HydrophobicContact CZ-CB 4.15Å; F154-F170 AromaticContact CZ-CD2 3.9Å; F154-F170 HydrophobicContact CZ-CD2 3.9Å; F154-E173 HydrophobicContact CZ-CB 4.11Å; F154-E173 HydrophobicContact CZ-CG 4.46Å; F154-I357 HydrophobicContact CE2-CD1 3.51Å; F154-I357 HydrophobicContact CZ-CD1 3.48Å; F154-I357 VanDerWaalsContact CZ-CD1 3.48Å |
| 155 | D | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -76.3 | 78.2 | 165.9 | 178.5 | 8.7 | 0 | 0 | 0 | 108.8 | W151 H158 S159 G160 I162 | W151-D155 WeakPolarHBondContact O-CB 3.36Å; W151-D155 PolarHBondContact O-N 3.47Å; D155-H158 PolarHBondContact O-N 2.92Å; D155-H158 PolarHBondContact O-ND1 3.39Å; D155-H158 VanDerWaalsContact O-ND1 3.11Å; D155-H158 WeakPolarHBondContact OD1-CA 3.45Å; D155-H158 PolarHBondContact OD1-N 3.01Å; D155-H158 WeakPolarHBondContact OD2-CA 3.26Å; D155-S159 PolarHBondContact OD1-N 2.98Å; D155-S159 PolarHBondContact OD1-OG 3.25Å; D155-G160 WeakPolarHBondContact OD2-CA 3.49Å; D155-G160 PolarHBondContact OD2-N 3.5Å; D155-I162 HydrophobicContact CB-CD1 3.78Å; D155-I162 VanDerWaalsContact N-CD1 3.3Å | ||
| 156 | K | 86 | Confident | 90.2 | Very high | 85 Ų | 85 | 33.2 Ų | 33.2 | 37% | 0.37 | 17% | 0.165 | S | C | . | . | trans | -74.4 | -32.6 | -168.8 | -65.6 | -178.2 | -179.7 | 166.4 | 0 | 111.6 | F154 H158 E166 D169 | F154-K156 PolarHBondContact O-N 3.23Å; K156-H158 VanDerWaalsContact C-N 3.34Å; K156-E166 PolarHBondContact N-OE1 3.15Å; K156-D169 IonicContact NZ-OD2 2.61Å; K156-D169 PolarHBondContact NZ-OD2 3.03Å | ||
| 157 | D | 89.2 | Confident | 90.4 | Very high | 83 Ų | 83 | 32.3 Ų | 32.3 | 44% | 0.444 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -90.7 | -3.8 | -179.6 | 80.9 | -21.7 | 0 | 0 | 0 | 112.8 | S159 | D157-S159 PolarHBondContact O-N 3.04Å; D157-S159 WeakPolarHBondContact OD1-CB 3.43Å; D157-S159 PolarHBondContact OD1-N 3.13Å; D157-S159 PolarHBondContact OD1-OG 3.27Å |
| 158 | H | 86.8 | Confident | 90.4 | Very high | 78 Ų | 78 | 35.4 Ų | 35.4 | 36% | 0.361 | 17% | 0.174 | S | C | . | . | trans | 55.6 | 41.6 | -176.7 | -54.3 | -46.2 | 0 | 0 | 0 | 110.7 | D155 K156 | D155-H158 PolarHBondContact O-N 2.92Å; D155-H158 PolarHBondContact O-ND1 3.39Å; D155-H158 VanDerWaalsContact O-ND1 3.11Å; D155-H158 WeakPolarHBondContact OD1-CA 3.45Å; D155-H158 PolarHBondContact OD1-N 3.01Å; D155-H158 WeakPolarHBondContact OD2-CA 3.26Å; K156-H158 VanDerWaalsContact C-N 3.34Å | ||
| 159 | S | 90.4 | Very high | 90.4 | Very high | 28 Ų | 28 | 38.7 Ų | 38.7 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | trans | -70.6 | -20.3 | 173.9 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | D155 D157 F161 | D155-S159 PolarHBondContact OD1-N 2.98Å; D155-S159 PolarHBondContact OD1-OG 3.25Å; D157-S159 PolarHBondContact O-N 3.04Å; D157-S159 WeakPolarHBondContact OD1-CB 3.43Å; D157-S159 PolarHBondContact OD1-N 3.13Å; D157-S159 PolarHBondContact OD1-OG 3.27Å; S159-F161 VanDerWaalsContact C-N 3.33Å; S159-F161 WeakPolarHBondContact O-CD2 3.46Å; S159-F161 PolarHBondContact OG-N 3.17Å; S159-F161 PolarHBondContact OG-O 3.17Å; S159-F161 VanDerWaalsContact OG-O 3.04Å | ||
| 160 | G | 89.5 | Confident | 90.3 | Very high | 3 Ų | 3 | 37 Ų | 37 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 81.6 | 14.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | W151 D155 | W151-G160 WeakPolarHBondContact CZ2-O 3.24Å; D155-G160 WeakPolarHBondContact OD2-CA 3.49Å; D155-G160 PolarHBondContact OD2-N 3.5Å |
| 161 | F | 93.4 | Very high | 90.3 | Very high | 34 Ų | 34 | 36.8 Ų | 36.8 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -141.9 | 159 | 176.4 | -56.4 | -91 | 0 | 0 | 0 | 109.3 | S159 K208 L209 Q210 | S159-F161 VanDerWaalsContact C-N 3.33Å; S159-F161 WeakPolarHBondContact O-CD2 3.46Å; S159-F161 PolarHBondContact OG-N 3.17Å; S159-F161 PolarHBondContact OG-O 3.17Å; S159-F161 VanDerWaalsContact OG-O 3.04Å; F161-K208 HydrophobicContact CB-CB 4.26Å; F161-K208 HydrophobicContact CB-CD 3.66Å; F161-K208 HydrophobicContact CB-CG 4.18Å; F161-K208 HydrophobicContact CD1-CD 3.83Å; F161-K208 HydrophobicContact CD1-CG 4.22Å; F161-K208 HydrophobicContact CD2-CD 4.22Å; F161-K208 HydrophobicContact CG-CD 3.63Å; F161-K208 HydrophobicContact CG-CG 4.35Å; F161-L209 CarbonylContact C-O 3.42Å; F161-L209 WeakPolarHBondContact CA-O 3.41Å; F161-Q210 HydrophobicContact CD1-CB 3.85Å; F161-Q210 HydrophobicContact CE1-CB 3.92Å |
| 162 | I | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -102.1 | 106.3 | 169.4 | -58.8 | -64.6 | 0 | 0 | 0 | 107.7 | W151 F154 D155 E166 L167 K208 L209 M214 | W151-I162 HydrophobicContact CE3-CD1 4.47Å; W151-I162 HydrophobicContact CE3-CG1 4.05Å; W151-I162 HydrophobicContact CH2-CG1 3.96Å; W151-I162 HydrophobicContact CZ3-CD1 4.45Å; W151-I162 HydrophobicContact CZ3-CG1 3.63Å; F154-I162 HydrophobicContact CB-CD1 3.84Å; D155-I162 HydrophobicContact CB-CD1 3.78Å; D155-I162 VanDerWaalsContact N-CD1 3.3Å; I162-E166 HydrophobicContact CG2-CB 3.88Å; I162-L167 HydrophobicContact CG2-CB 3.91Å; I162-K208 CarbonylContact O-C 3.58Å; I162-K208 WeakPolarHBondContact O-CA 3.48Å; I162-K208 WeakPolarHBondContact O-CB 3.5Å; I162-L209 HydrophobicContact CB-CB 4.27Å; I162-L209 PolarHBondContact N-O 3.06Å; I162-L209 PolarHBondContact O-N 2.7Å; I162-M214 HydrophobicContact CG1-CE 4.44Å |
| 163 | E | 93.2 | Very high | 89.8 | Confident | 85 Ų | 85 | 38 Ų | 38 | 40% | 0.397 | 19% | 0.193 | S | C | . | . | trans | -72 | 166.5 | 176.5 | -64.5 | -168 | -177.1 | 0 | 0 | 111.6 | D165 E166 L167 K208 | E163-D165 VanDerWaalsContact C-N 3.26Å; E163-D165 WeakPolarHBondContact CB-OD1 3.49Å; E163-D165 PolarHBondContact O-N 3.31Å; E163-E166 PolarHBondContact N-OE2 3.24Å; E163-E166 PolarHBondContact O-N 3.12Å; E163-E166 VanDerWaalsContact O-N 3.1Å; E163-L167 WeakPolarHBondContact O-CB 3.19Å; E163-L167 PolarHBondContact O-N 2.95Å; E163-K208 HydrophobicContact CG-CB 4.44Å | ||
| 164 | A | 91.4 | Very high | 89.4 | Confident | 27 Ų | 27 | 37.7 Ų | 37.7 | 22% | 0.223 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.9 | -33.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K168 T194 L198 | A164-K168 WeakPolarHBondContact O-CB 3.47Å; A164-K168 PolarHBondContact O-N 3.08Å; A164-T194 WeakPolarHBondContact O-CG2 3.43Å; A164-L198 HydrophobicContact CB-CD1 3.98Å |
| 165 | D | 91.4 | Very high | 88.8 | Confident | 100 Ų | 100 | 37.3 Ų | 37.3 | 54% | 0.535 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -73.4 | -36.3 | 175.2 | 61.6 | -39.2 | 0 | 0 | 0 | 112.5 | E163 K168 D169 | E163-D165 VanDerWaalsContact C-N 3.26Å; E163-D165 WeakPolarHBondContact CB-OD1 3.49Å; E163-D165 PolarHBondContact O-N 3.31Å; D165-K168 WeakPolarHBondContact O-CB 3.17Å; D165-K168 PolarHBondContact O-N 3.32Å; D165-D169 PolarHBondContact O-N 3.32Å |
| 166 | E | 93 | Very high | 87.8 | Confident | 11 Ų | 11 | 38.7 Ų | 38.7 | 5% | 0.051 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.8 | -40.5 | 172.4 | -65.2 | 179.2 | 135.9 | 0 | 0 | 111.8 | F154 K156 I162 E163 K168 D169 F170 | F154-E166 WeakPolarHBondContact O-CB 3.38Å; F154-E166 WeakPolarHBondContact O-CG 3.4Å; F154-E166 VanDerWaalsContact O-OE1 3.05Å; K156-E166 PolarHBondContact N-OE1 3.15Å; I162-E166 HydrophobicContact CG2-CB 3.88Å; E163-E166 PolarHBondContact N-OE2 3.24Å; E163-E166 PolarHBondContact O-N 3.12Å; E163-E166 VanDerWaalsContact O-N 3.1Å; E166-K168 VanDerWaalsContact C-N 3.29Å; E166-K168 PolarHBondContact O-N 3.11Å; E166-D169 PolarHBondContact O-N 2.75Å; E166-F170 PolarHBondContact O-N 3.49Å |
| 167 | L | 92 | Very high | 86.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 172.5 | -179.8 | 58.9 | 0 | 0 | 0 | 110.9 | I162 E163 D169 F170 L171 T194 I197 L198 L209 L217 | I162-L167 HydrophobicContact CG2-CB 3.91Å; E163-L167 WeakPolarHBondContact O-CB 3.19Å; E163-L167 PolarHBondContact O-N 2.95Å; L167-D169 VanDerWaalsContact C-N 3.33Å; L167-D169 PolarHBondContact O-N 2.63Å; L167-F170 HydrophobicContact CD1-CD1 3.99Å; L167-F170 WeakPolarHBondContact O-CB 3.25Å; L167-F170 PolarHBondContact O-N 3.44Å; L167-L171 HydrophobicContact CD1-CD1 4.4Å; L167-L171 HydrophobicContact CD1-CG 4.2Å; L167-L171 HydrophobicContact CG-CD1 4.19Å; L167-L171 HydrophobicContact CG-CG 4.41Å; L167-L171 WeakPolarHBondContact O-CB 3.45Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.31Å; L167-L171 PolarHBondContact O-N 3.22Å; L167-T194 HydrophobicContact CB-CG2 4.28Å; L167-T194 HydrophobicContact CD2-CG2 3.9Å; L167-T194 HydrophobicContact CG-CG2 4.08Å; L167-I197 HydrophobicContact CD1-CG2 4.24Å; L167-I197 HydrophobicContact CD2-CB 4.28Å; L167-I197 HydrophobicContact CD2-CG2 3.88Å; L167-L198 HydrophobicContact CD2-CD1 4.48Å; L167-L198 HydrophobicContact CD2-CD2 3.88Å; L167-L198 HydrophobicContact CD2-CG 3.78Å; L167-L209 HydrophobicContact CD1-CD1 3.98Å; L167-L209 HydrophobicContact CD2-CD1 4.01Å; L167-L217 HydrophobicContact CD1-CD2 4.27Å |
| 168 | K | 91.1 | Very high | 85.1 | Confident | 67 Ų | 67 | 38.3 Ų | 38.3 | 29% | 0.291 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 175.3 | -165.9 | -167.5 | 171.9 | -177.6 | 0 | 111.6 | A164 D165 E166 L171 T172 I190 | A164-K168 WeakPolarHBondContact O-CB 3.47Å; A164-K168 PolarHBondContact O-N 3.08Å; D165-K168 WeakPolarHBondContact O-CB 3.17Å; D165-K168 PolarHBondContact O-N 3.32Å; E166-K168 VanDerWaalsContact C-N 3.29Å; E166-K168 PolarHBondContact O-N 3.11Å; K168-L171 PolarHBondContact O-N 3.06Å; K168-T172 VanDerWaalsContact O-CB 3.29Å; K168-T172 WeakPolarHBondContact O-CB 3.26Å; K168-T172 PolarHBondContact O-N 3.34Å; K168-T172 PolarHBondContact O-OG1 3.41Å; K168-I190 HydrophobicContact CB-CG2 4.48Å; K168-I190 HydrophobicContact CD-CG2 4.16Å; K168-I190 HydrophobicContact CG-CG2 3.3Å |
| 169 | D | 89.5 | Confident | 83.7 | Confident | 68 Ų | 68 | 35.7 Ų | 35.7 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 176.1 | -78.9 | -11.2 | 0 | 0 | 0 | 111.1 | F154 K156 D165 E166 L167 T172 E173 | F154-D169 HydrophobicContact CD1-CB 4.45Å; F154-D169 HydrophobicContact CE1-CB 4.43Å; K156-D169 IonicContact NZ-OD2 2.61Å; K156-D169 PolarHBondContact NZ-OD2 3.03Å; D165-D169 PolarHBondContact O-N 3.32Å; E166-D169 PolarHBondContact O-N 2.75Å; L167-D169 VanDerWaalsContact C-N 3.33Å; L167-D169 PolarHBondContact O-N 2.63Å; D169-T172 WeakPolarHBondContact O-CB 3.48Å; D169-T172 PolarHBondContact O-N 2.92Å; D169-E173 PolarHBondContact O-N 2.95Å |
| 170 | F | 88.2 | Confident | 82.1 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 5% | 0.053 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.3 | -53.4 | 173.7 | 169.7 | -100.4 | 0 | 0 | 0 | 112.2 | V150 F154 E166 L167 T172 E173 L174 M214 L217 I218 | V150-F170 HydrophobicContact CG1-CD2 4.39Å; V150-F170 HydrophobicContact CG1-CE2 4.05Å; F154-F170 HydrophobicContact CD1-CB 3.68Å; F154-F170 HydrophobicContact CD2-CB 4.24Å; F154-F170 AromaticContact CD2-CD2 3.66Å; F154-F170 HydrophobicContact CD2-CD2 3.66Å; F154-F170 HydrophobicContact CD2-CG 4.41Å; F154-F170 HydrophobicContact CE1-CB 3.82Å; F154-F170 HydrophobicContact CE1-CD2 4.41Å; F154-F170 HydrophobicContact CE2-CB 4.36Å; F154-F170 AromaticContact CE2-CD2 3.5Å; F154-F170 HydrophobicContact CE2-CD2 3.5Å; F154-F170 HydrophobicContact CE2-CE2 4.31Å; F154-F170 HydrophobicContact CE2-CG 4.42Å; F154-F170 HydrophobicContact CG-CB 3.91Å; F154-F170 HydrophobicContact CG-CD2 4.21Å; F154-F170 HydrophobicContact CZ-CB 4.15Å; F154-F170 AromaticContact CZ-CD2 3.9Å; F154-F170 HydrophobicContact CZ-CD2 3.9Å; E166-F170 PolarHBondContact O-N 3.49Å; L167-F170 HydrophobicContact CD1-CD1 3.99Å; L167-F170 WeakPolarHBondContact O-CB 3.25Å; L167-F170 PolarHBondContact O-N 3.44Å; F170-T172 VanDerWaalsContact C-N 3.27Å; F170-T172 PolarHBondContact O-N 3.1Å; F170-E173 PolarHBondContact O-N 3.39Å; F170-L174 HydrophobicContact CE1-CD2 3.84Å; F170-L174 HydrophobicContact CZ-CD2 3.64Å; F170-L174 WeakPolarHBondContact O-CB 3.3Å; F170-L174 PolarHBondContact O-N 2.76Å; F170-M214 HydrophobicContact CD1-CE 4.29Å; F170-M214 HydrophobicContact CD2-CE 4.12Å; F170-M214 HydrophobicContact CE1-CE 4.4Å; F170-M214 HydrophobicContact CE2-CE 4.24Å; F170-M214 HydrophobicContact CG-CE 4.16Å; F170-M214 HydrophobicContact CZ-CE 4.39Å; F170-L217 HydrophobicContact CE1-CD2 4.41Å; F170-I218 HydrophobicContact CD2-CD1 4.42Å; F170-I218 HydrophobicContact CE1-CD1 3.94Å; F170-I218 HydrophobicContact CE1-CG1 4.4Å; F170-I218 HydrophobicContact CE2-CD1 3.43Å; F170-I218 VanDerWaalsContact CE2-CD1 3.43Å; F170-I218 HydrophobicContact CZ-CD1 3.13Å; F170-I218 HydrophobicContact CZ-CG1 3.82Å |
| 171 | L | 87.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.8 | -37 | 179.4 | -68.3 | 176.6 | 0 | 0 | 0 | 111.5 | L134 L167 K168 L174 L175 I190 I197 | L134-L171 HydrophobicContact CD1-CD2 3.78Å; L134-L171 HydrophobicContact CD2-CD2 3.72Å; L134-L171 HydrophobicContact CG-CD2 4.44Å; L167-L171 HydrophobicContact CD1-CD1 4.4Å; L167-L171 HydrophobicContact CD1-CG 4.2Å; L167-L171 HydrophobicContact CG-CD1 4.19Å; L167-L171 HydrophobicContact CG-CG 4.41Å; L167-L171 WeakPolarHBondContact O-CB 3.45Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.31Å; L167-L171 PolarHBondContact O-N 3.22Å; K168-L171 PolarHBondContact O-N 3.06Å; L171-L174 PolarHBondContact O-N 2.95Å; L171-L175 VanDerWaalsContact O-CB 3.25Å; L171-L175 WeakPolarHBondContact O-CB 3.45Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.37Å; L171-L175 PolarHBondContact O-N 3.38Å; L171-I190 HydrophobicContact CB-CD1 4.13Å; L171-I197 HydrophobicContact CD1-CG1 4.47Å |
| 172 | T | 86.5 | Confident | 79.2 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 18% | 0.184 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 176 | -64 | 0 | 0 | 0 | 0 | 111.2 | K168 D169 F170 S176 F186 | K168-T172 VanDerWaalsContact O-CB 3.29Å; K168-T172 WeakPolarHBondContact O-CB 3.26Å; K168-T172 PolarHBondContact O-N 3.34Å; K168-T172 PolarHBondContact O-OG1 3.41Å; D169-T172 WeakPolarHBondContact O-CB 3.48Å; D169-T172 PolarHBondContact O-N 2.92Å; F170-T172 VanDerWaalsContact C-N 3.27Å; F170-T172 PolarHBondContact O-N 3.1Å; T172-S176 WeakPolarHBondContact O-CB 3.25Å; T172-S176 PolarHBondContact O-N 3.46Å; T172-F186 HydrophobicContact CG2-CE1 3.95Å; T172-F186 HydrophobicContact CG2-CZ 4.31Å |
| 173 | E | 83.4 | Confident | 78.1 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 23% | 0.229 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.1 | -45.8 | 179 | -168 | 66.5 | -170.3 | 0 | 0 | 110.6 | F154 D169 F170 L175 S176 F177 I357 | F154-E173 HydrophobicContact CZ-CB 4.11Å; F154-E173 HydrophobicContact CZ-CG 4.46Å; D169-E173 PolarHBondContact O-N 2.95Å; F170-E173 PolarHBondContact O-N 3.39Å; E173-L175 PolarHBondContact O-N 2.97Å; E173-S176 WeakPolarHBondContact O-CB 3.45Å; E173-S176 PolarHBondContact O-N 3.24Å; E173-S176 PolarHBondContact O-OG 3.05Å; E173-F177 HydrophobicContact CG-CE2 4.42Å; E173-F177 WeakPolarHBondContact O-CD2 3.03Å; E173-F177 VanDerWaalsContact O-CE2 3.26Å; E173-F177 WeakPolarHBondContact O-CE2 3.26Å; E173-I357 HydrophobicContact CG-CD1 3.73Å; E173-I357 HydrophobicContact CG-CG2 4.38Å |
| 174 | L | 79.6 | Confident | 77.1 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 179.9 | -174.5 | 59.8 | 0 | 0 | 0 | 112.3 | L134 F170 L171 W361 | L134-L174 HydrophobicContact CD2-CD2 3.28Å; L134-L174 HydrophobicContact CD2-CG 4.2Å; F170-L174 HydrophobicContact CE1-CD2 3.84Å; F170-L174 HydrophobicContact CZ-CD2 3.64Å; F170-L174 WeakPolarHBondContact O-CB 3.3Å; F170-L174 PolarHBondContact O-N 2.76Å; L171-L174 PolarHBondContact O-N 2.95Å; L174-W361 HydrophobicContact CD1-CH2 4.16Å; L174-W361 HydrophobicContact CD1-CZ2 4.19Å |
| 175 | L | 77.9 | Confident | 76.5 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -79.4 | -18.9 | -179.7 | -65 | 172.9 | 0 | 0 | 0 | 113.1 | E130 L171 E173 F177 G178 V179 F186 I190 Y193 | E130-L175 WeakPolarHBondContact O-CD2 3.28Å; L171-L175 VanDerWaalsContact O-CB 3.25Å; L171-L175 WeakPolarHBondContact O-CB 3.45Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.37Å; L171-L175 PolarHBondContact O-N 3.38Å; E173-L175 PolarHBondContact O-N 2.97Å; L175-F177 PolarHBondContact O-N 2.86Å; L175-F177 VanDerWaalsContact O-N 3.13Å; L175-G178 PolarHBondContact O-N 3.3Å; L175-V179 HydrophobicContact CB-CG2 4.43Å; L175-V179 WeakPolarHBondContact O-CB 3.42Å; L175-V179 PolarHBondContact O-N 2.8Å; L175-F186 HydrophobicContact CB-CE2 4.33Å; L175-F186 HydrophobicContact CB-CZ 4.48Å; L175-I190 HydrophobicContact CD1-CD1 3.62Å; L175-Y193 HydrophobicContact CD1-CD2 3.56Å; L175-Y193 HydrophobicContact CD1-CE2 3.86Å |
| 176 | S | 71.8 | Confident | 76 | Confident | 29 Ų | 29 | 64 Ų | 64 | 20% | 0.203 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.6 | -19.7 | 176.6 | 75 | 0 | 0 | 0 | 0 | 114 | T172 E173 | T172-S176 WeakPolarHBondContact O-CB 3.25Å; T172-S176 PolarHBondContact O-N 3.46Å; E173-S176 WeakPolarHBondContact O-CB 3.45Å; E173-S176 PolarHBondContact O-N 3.24Å; E173-S176 PolarHBondContact O-OG 3.05Å |
| 177 | F | 61.3 | Low | 75.6 | Confident | 102 Ų | 102 | 68.5 Ų | 68.5 | 45% | 0.447 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -25.3 | 174.9 | -65.8 | -77.5 | 0 | 0 | 0 | 113 | E173 L175 I357 K358 | E173-F177 HydrophobicContact CG-CE2 4.42Å; E173-F177 WeakPolarHBondContact O-CD2 3.03Å; E173-F177 VanDerWaalsContact O-CE2 3.26Å; E173-F177 WeakPolarHBondContact O-CE2 3.26Å; L175-F177 PolarHBondContact O-N 2.86Å; L175-F177 VanDerWaalsContact O-N 3.13Å; F177-I357 HydrophobicContact CE2-CG2 3.72Å; F177-I357 HydrophobicContact CZ-CG2 4.01Å; F177-K358 HydrophobicContact CE1-CG 4.18Å; F177-K358 HydrophobicContact CZ-CG 4.1Å |
| 178 | G | 55.2 | Low | 75.3 | Confident | 57 Ų | 57 | 75 Ų | 75 | 59% | 0.588 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -25.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L175 | L175-G178 PolarHBondContact O-N 3.3Š|
| 179 | V | 57.7 | Low | 75.1 | Confident | 23 Ų | 23 | 74.1 Ų | 74.1 | 14% | 0.139 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -119.2 | 136.2 | -169.1 | -171.5 | 0 | 0 | 0 | 0 | 110.6 | E130 L175 K181 F186 | E130-V179 HydrophobicContact CB-CG2 4.17Å; E130-V179 HydrophobicContact CG-CG2 3.58Å; L175-V179 HydrophobicContact CB-CG2 4.43Å; L175-V179 WeakPolarHBondContact O-CB 3.42Å; L175-V179 PolarHBondContact O-N 2.8Å; V179-K181 PolarHBondContact O-N 3.45Å; V179-F186 HydrophobicContact CB-CD2 4.44Å; V179-F186 HydrophobicContact CB-CE2 4.14Å; V179-F186 HydrophobicContact CG1-CD2 3.92Å; V179-F186 HydrophobicContact CG1-CE2 4.13Å |
| 180 | R | 56.7 | Low | 75.1 | Confident | 206 Ų | 206 | 70.9 Ų | 70.9 | 78% | 0.777 | 35% | 0.349 | S | S | * | . | trans | -66.9 | 117.6 | 171.1 | -73.2 | -176.2 | 160.4 | -169.3 | -7.1 | 108.7 | D182 D183 | R180-D182 PolarHBondContact O-N 3.31Å; R180-D183 PolarHBondContact O-N 3.26Å | ||
| 181 | K | 60.7 | Low | 75.2 | Confident | 122 Ų | 122 | 73.8 Ų | 73.8 | 53% | 0.53 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -12 | 173.8 | -67 | -167.8 | 178.9 | -169.6 | 0 | 113.9 | V179 D183 | V179-K181 PolarHBondContact O-N 3.45Å; K181-D183 VanDerWaalsContact C-N 3.3Å; K181-D183 PolarHBondContact O-N 3.35Å |
| 182 | D | 61.8 | Low | 75.3 | Confident | 140 Ų | 140 | 76.5 Ų | 76.5 | 75% | 0.749 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -0.6 | -177.7 | -46.4 | -31.6 | 0 | 0 | 0 | 113.9 | R180 E184 | R180-D182 PolarHBondContact O-N 3.31Å; D182-E184 PolarHBondContact O-N 3.21Å |
| 183 | D | 70.6 | Confident | 75.5 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | trans | -73.1 | 120.4 | 174 | -166.7 | -27.5 | 0 | 0 | 0 | 110.2 | R180 K181 K185 F186 | R180-D183 PolarHBondContact O-N 3.26Å; K181-D183 VanDerWaalsContact C-N 3.3Å; K181-D183 PolarHBondContact O-N 3.35Å; D183-K185 PolarHBondContact O-N 2.93Å; D183-K185 PolarHBondContact OD1-N 2.87Å; D183-F186 HydrophobicContact CB-CB 4.41Å; D183-F186 VanDerWaalsContact O-CB 3.25Å; D183-F186 WeakPolarHBondContact O-CB 3.14Å; D183-F186 PolarHBondContact O-N 3.33Å | ||
| 184 | E | 71.7 | Confident | 75.9 | Confident | 192 Ų | 192 | 73.1 Ų | 73.1 | 90% | 0.897 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -21.4 | 178.4 | -72.3 | -176 | 166.4 | 0 | 0 | 113.1 | D182 | D182-E184 PolarHBondContact O-N 3.21Š|
| 185 | K | 79 | Confident | 76.5 | Confident | 127 Ų | 127 | 75.4 Ų | 75.4 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 3 | 178.6 | -64.2 | -172.3 | 177.7 | -174.2 | 0 | 114.3 | D183 D187 E188 K189 | D183-K185 PolarHBondContact O-N 2.93Å; D183-K185 PolarHBondContact OD1-N 2.87Å; K185-D187 VanDerWaalsContact C-N 3.31Å; K185-D187 PolarHBondContact O-N 2.68Å; K185-E188 PolarHBondContact O-N 3.43Å; K185-K189 PolarHBondContact O-N 2.83Å |
| 186 | F | 81.1 | Confident | 77.1 | Confident | 16 Ų | 16 | 75.3 Ų | 75.3 | 7% | 0.07 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.6 | -46.9 | -177 | -176.2 | -97.2 | 0 | 0 | 0 | 111.6 | T172 L175 V179 D183 E188 K189 I190 | T172-F186 HydrophobicContact CG2-CE1 3.95Å; T172-F186 HydrophobicContact CG2-CZ 4.31Å; L175-F186 HydrophobicContact CB-CE2 4.33Å; L175-F186 HydrophobicContact CB-CZ 4.48Å; V179-F186 HydrophobicContact CB-CD2 4.44Å; V179-F186 HydrophobicContact CB-CE2 4.14Å; V179-F186 HydrophobicContact CG1-CD2 3.92Å; V179-F186 HydrophobicContact CG1-CE2 4.13Å; D183-F186 HydrophobicContact CB-CB 4.41Å; D183-F186 VanDerWaalsContact O-CB 3.25Å; D183-F186 WeakPolarHBondContact O-CB 3.14Å; D183-F186 PolarHBondContact O-N 3.33Å; F186-E188 PolarHBondContact O-N 2.67Å; F186-K189 PolarHBondContact O-N 2.83Å; F186-I190 HydrophobicContact CD1-CG1 3.93Å; F186-I190 HydrophobicContact CE1-CD1 4.06Å; F186-I190 HydrophobicContact CE1-CG1 3.54Å; F186-I190 HydrophobicContact CE2-CD1 4.27Å; F186-I190 HydrophobicContact CE2-CG1 4.21Å; F186-I190 HydrophobicContact CG-CG1 4.42Å; F186-I190 HydrophobicContact CZ-CD1 3.75Å; F186-I190 HydrophobicContact CZ-CG1 3.71Å; F186-I190 WeakPolarHBondContact O-CB 3.5Å; F186-I190 VanDerWaalsContact O-CG1 3.26Å; F186-I190 WeakPolarHBondContact O-CG1 3.22Å; F186-I190 PolarHBondContact O-N 2.86Å |
| 187 | D | 84.1 | Confident | 78 | Confident | 104 Ų | 104 | 73.9 Ų | 73.9 | 56% | 0.556 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.5 | -38.7 | 179.1 | -73.6 | -20.1 | 0 | 0 | 0 | 112.8 | K185 I191 | K185-D187 VanDerWaalsContact C-N 3.31Å; K185-D187 PolarHBondContact O-N 2.68Å; D187-I191 WeakPolarHBondContact O-CD1 3.25Å; D187-I191 VanDerWaalsContact O-CG1 3.26Å; D187-I191 WeakPolarHBondContact O-CG1 3.26Å; D187-I191 PolarHBondContact O-N 3.47Å; D187-I191 VanDerWaalsContact O-N 3.11Å |
| 188 | E | 86.5 | Confident | 79.4 | Confident | 137 Ų | 137 | 70 Ų | 70 | 64% | 0.64 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.6 | -42.8 | 177 | -66.2 | -175.1 | 170 | 0 | 0 | 111.3 | K185 F186 I191 E192 | K185-E188 PolarHBondContact O-N 3.43Å; F186-E188 PolarHBondContact O-N 2.67Å; E188-I191 PolarHBondContact O-N 3.07Å; E188-E192 PolarHBondContact O-N 3.33Å |
| 189 | K | 86.1 | Confident | 81 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 175.6 | -75.9 | -174.6 | 172.3 | -172.8 | 0 | 111.7 | E130 K185 F186 I191 E192 Y193 | E130-K189 IonicContact OE1-NZ 3.03Å; E130-K189 PolarHBondContact OE1-NZ 2.65Å; E130-K189 IonicContact OE2-NZ 2.68Å; K185-K189 PolarHBondContact O-N 2.83Å; F186-K189 PolarHBondContact O-N 2.83Å; K189-I191 VanDerWaalsContact C-N 3.28Å; K189-I191 PolarHBondContact O-N 3Å; K189-E192 PolarHBondContact O-N 3.37Å; K189-Y193 HydrophobicContact CB-CE2 4.2Å; K189-Y193 WeakPolarHBondContact O-CB 3.39Å; K189-Y193 WeakPolarHBondContact O-CD1 3.14Å; K189-Y193 PolarHBondContact O-N 2.89Å |
| 190 | I | 89.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 178.5 | -73.4 | -68.1 | 0 | 0 | 0 | 111 | K168 L171 L175 F186 Y193 T194 | K168-I190 HydrophobicContact CB-CG2 4.48Å; K168-I190 HydrophobicContact CD-CG2 4.16Å; K168-I190 HydrophobicContact CG-CG2 3.3Å; L171-I190 HydrophobicContact CB-CD1 4.13Å; L175-I190 HydrophobicContact CD1-CD1 3.62Å; F186-I190 HydrophobicContact CD1-CG1 3.93Å; F186-I190 HydrophobicContact CE1-CD1 4.06Å; F186-I190 HydrophobicContact CE1-CG1 3.54Å; F186-I190 HydrophobicContact CE2-CD1 4.27Å; F186-I190 HydrophobicContact CE2-CG1 4.21Å; F186-I190 HydrophobicContact CG-CG1 4.42Å; F186-I190 HydrophobicContact CZ-CD1 3.75Å; F186-I190 HydrophobicContact CZ-CG1 3.71Å; F186-I190 WeakPolarHBondContact O-CB 3.5Å; F186-I190 VanDerWaalsContact O-CG1 3.26Å; F186-I190 WeakPolarHBondContact O-CG1 3.22Å; F186-I190 PolarHBondContact O-N 2.86Å; I190-Y193 PolarHBondContact O-N 3.49Å; I190-T194 WeakPolarHBondContact O-CB 3.47Å; I190-T194 PolarHBondContact O-N 3.38Å; I190-T194 PolarHBondContact O-OG1 3.02Å |
| 191 | I | 90.6 | Very high | 84 | Confident | 72 Ų | 72 | 61.5 Ų | 61.5 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 174.7 | -66.5 | 163.2 | 0 | 0 | 0 | 110.5 | D187 E188 K189 Y193 T194 D195 | D187-I191 WeakPolarHBondContact O-CD1 3.25Å; D187-I191 VanDerWaalsContact O-CG1 3.26Å; D187-I191 WeakPolarHBondContact O-CG1 3.26Å; D187-I191 PolarHBondContact O-N 3.47Å; D187-I191 VanDerWaalsContact O-N 3.11Å; E188-I191 PolarHBondContact O-N 3.07Å; K189-I191 VanDerWaalsContact C-N 3.28Å; K189-I191 PolarHBondContact O-N 3Å; I191-Y193 VanDerWaalsContact C-N 3.28Å; I191-Y193 PolarHBondContact O-N 2.89Å; I191-T194 PolarHBondContact O-N 3.18Å; I191-D195 PolarHBondContact O-N 3.36Å |
| 192 | E | 90.3 | Very high | 85.4 | Confident | 57 Ų | 57 | 56.5 Ų | 56.5 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.5 | -42.8 | 176.6 | -176.2 | -178 | 175.4 | 0 | 0 | 111.7 | T48 A49 S50 E188 K189 T196 | T48-E192 VanDerWaalsContact CB-OE1 3.27Å; T48-E192 WeakPolarHBondContact CB-OE1 3.46Å; T48-E192 PolarHBondContact OG1-OE1 3.07Å; A49-E192 HydrophobicContact CB-CG 4.33Å; A49-E192 PolarHBondContact N-OE1 3.45Å; S50-E192 WeakPolarHBondContact CB-OE1 3.33Å; S50-E192 PolarHBondContact N-OE1 2.89Å; E188-E192 PolarHBondContact O-N 3.33Å; K189-E192 PolarHBondContact O-N 3.37Å; E192-T196 VanDerWaalsContact O-CB 3.3Å; E192-T196 WeakPolarHBondContact O-CB 3.48Å; E192-T196 PolarHBondContact O-N 2.86Å; E192-T196 PolarHBondContact O-OG1 2.98Å |
| 193 | Y | 90.8 | Very high | 86.5 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.2 | -41.3 | 179.2 | -62.5 | -12.9 | 0 | 0 | 0 | 111.3 | A49 E130 F131 L175 K189 I190 I191 T196 I197 | A49-Y193 HydrophobicContact CB-CD1 3.46Å; A49-Y193 VanDerWaalsContact CB-CD1 3.46Å; A49-Y193 HydrophobicContact CB-CE1 3.59Å; E130-Y193 HydrophobicContact CB-CE2 4.15Å; F131-Y193 HydrophobicContact CB-CD1 4.18Å; F131-Y193 HydrophobicContact CB-CE1 3.75Å; F131-Y193 HydrophobicContact CB-CE2 4.4Å; F131-Y193 AromaticContact CD2-CD1 3.63Å; F131-Y193 HydrophobicContact CD2-CD1 3.63Å; F131-Y193 HydrophobicContact CD2-CE1 4.09Å; F131-Y193 AromaticContact CD2-CG 3.92Å; F131-Y193 HydrophobicContact CD2-CG 3.92Å; F131-Y193 HydrophobicContact CE2-CD1 4.44Å; F131-Y193 HydrophobicContact CG-CD1 4.25Å; F131-Y193 HydrophobicContact CG-CE1 4.26Å; L175-Y193 HydrophobicContact CD1-CD2 3.56Å; L175-Y193 HydrophobicContact CD1-CE2 3.86Å; K189-Y193 HydrophobicContact CB-CE2 4.2Å; K189-Y193 WeakPolarHBondContact O-CB 3.39Å; K189-Y193 WeakPolarHBondContact O-CD1 3.14Å; K189-Y193 PolarHBondContact O-N 2.89Å; I190-Y193 PolarHBondContact O-N 3.49Å; I191-Y193 VanDerWaalsContact C-N 3.28Å; I191-Y193 PolarHBondContact O-N 2.89Å; Y193-T196 PolarHBondContact O-N 2.67Å; Y193-I197 WeakPolarHBondContact O-CB 3.31Å; Y193-I197 VanDerWaalsContact O-CG1 3.25Å; Y193-I197 WeakPolarHBondContact O-CG1 3.47Å; Y193-I197 PolarHBondContact O-N 3.35Å |
| 194 | T | 92 | Very high | 87.2 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -51.2 | 175.3 | -54.5 | 0 | 0 | 0 | 0 | 110.4 | A164 L167 I190 I191 T196 I197 L198 | A164-T194 WeakPolarHBondContact O-CG2 3.43Å; L167-T194 HydrophobicContact CB-CG2 4.28Å; L167-T194 HydrophobicContact CD2-CG2 3.9Å; L167-T194 HydrophobicContact CG-CG2 4.08Å; I190-T194 WeakPolarHBondContact O-CB 3.47Å; I190-T194 PolarHBondContact O-N 3.38Å; I190-T194 PolarHBondContact O-OG1 3.02Å; I191-T194 PolarHBondContact O-N 3.18Å; T194-T196 VanDerWaalsContact C-N 3.28Å; T194-T196 PolarHBondContact O-N 3.27Å; T194-I197 PolarHBondContact O-N 3.28Å; T194-L198 HydrophobicContact CG2-CD1 4.32Å; T194-L198 WeakPolarHBondContact O-CG 3.37Å; T194-L198 PolarHBondContact O-N 3.41Å |
| 195 | D | 91.4 | Very high | 87.8 | Confident | 69 Ų | 69 | 54.1 Ų | 54.1 | 37% | 0.369 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.8 | -38.6 | 179.2 | -71.4 | -17.4 | 0 | 0 | 0 | 111.7 | I191 K199 | I191-D195 PolarHBondContact O-N 3.36Å; D195-K199 WeakPolarHBondContact O-CB 3.26Å; D195-K199 VanDerWaalsContact O-CG 3.26Å; D195-K199 WeakPolarHBondContact O-CG 3.31Å; D195-K199 PolarHBondContact O-N 2.94Å |
| 196 | T | 90.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.1 | -43.5 | 179 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | A49 S50 F131 E192 Y193 T194 K199 L200 | A49-T196 HydrophobicContact CB-CG2 4.19Å; A49-T196 WeakPolarHBondContact O-CG2 3.39Å; S50-T196 PolarHBondContact N-OG1 2.84Å; F131-T196 HydrophobicContact CE1-CG2 4.48Å; F131-T196 HydrophobicContact CE2-CG2 3.94Å; F131-T196 HydrophobicContact CZ-CG2 3.58Å; E192-T196 VanDerWaalsContact O-CB 3.3Å; E192-T196 WeakPolarHBondContact O-CB 3.48Å; E192-T196 PolarHBondContact O-N 2.86Å; E192-T196 PolarHBondContact O-OG1 2.98Å; Y193-T196 PolarHBondContact O-N 2.67Å; T194-T196 VanDerWaalsContact C-N 3.28Å; T194-T196 PolarHBondContact O-N 3.27Å; T196-K199 WeakPolarHBondContact O-CB 3.39Å; T196-K199 PolarHBondContact O-N 3.18Å; T196-L200 HydrophobicContact CG2-CD1 3.82Å; T196-L200 HydrophobicContact CG2-CG 4.41Å; T196-L200 WeakPolarHBondContact O-CB 3.44Å; T196-L200 WeakPolarHBondContact O-CD1 3.49Å; T196-L200 WeakPolarHBondContact O-CG 3.3Å; T196-L200 PolarHBondContact O-N 3.39Å |
| 197 | I | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 178 | -70.6 | -55.7 | 0 | 0 | 0 | 110.8 | F131 L134 F135 L167 L171 Y193 T194 K199 L200 F201 L209 L217 | F131-I197 HydrophobicContact CE2-CD1 3.91Å; F131-I197 HydrophobicContact CE2-CG1 4.29Å; F131-I197 HydrophobicContact CZ-CD1 4.28Å; L134-I197 HydrophobicContact CD1-CD1 3.82Å; L134-I197 HydrophobicContact CD1-CG1 4.01Å; F135-I197 HydrophobicContact CE1-CD1 4.32Å; F135-I197 HydrophobicContact CE2-CD1 4.47Å; F135-I197 HydrophobicContact CZ-CD1 3.62Å; L167-I197 HydrophobicContact CD1-CG2 4.24Å; L167-I197 HydrophobicContact CD2-CB 4.28Å; L167-I197 HydrophobicContact CD2-CG2 3.88Å; L171-I197 HydrophobicContact CD1-CG1 4.47Å; Y193-I197 WeakPolarHBondContact O-CB 3.31Å; Y193-I197 VanDerWaalsContact O-CG1 3.25Å; Y193-I197 WeakPolarHBondContact O-CG1 3.47Å; Y193-I197 PolarHBondContact O-N 3.35Å; T194-I197 PolarHBondContact O-N 3.28Å; I197-K199 VanDerWaalsContact C-N 3.34Å; I197-K199 PolarHBondContact O-N 2.94Å; I197-L200 HydrophobicContact CD1-CD1 4.41Å; I197-L200 PolarHBondContact O-N 3.5Å; I197-L200 VanDerWaalsContact O-N 3.1Å; I197-F201 HydrophobicContact CD1-CD2 4.38Å; I197-F201 HydrophobicContact CD1-CE2 4.15Å; I197-F201 HydrophobicContact CG2-CD2 4.1Å; I197-F201 WeakPolarHBondContact O-CD2 3.32Å; I197-F201 PolarHBondContact O-N 3.15Å; I197-L209 HydrophobicContact CG2-CD1 4.27Å; I197-L217 HydrophobicContact CD1-CD1 3.81Å; I197-L217 HydrophobicContact CG2-CD1 4.03Å; I197-L217 HydrophobicContact CG2-CD2 3.63Å; I197-L217 HydrophobicContact CG2-CG 4.47Å |
| 198 | L | 90.9 | Very high | 89.2 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.6 | -48.2 | 173.3 | -71 | 170.8 | 0 | 0 | 0 | 110.4 | A164 L167 T194 L200 F201 D202 L209 | A164-L198 HydrophobicContact CB-CD1 3.98Å; L167-L198 HydrophobicContact CD2-CD1 4.48Å; L167-L198 HydrophobicContact CD2-CD2 3.88Å; L167-L198 HydrophobicContact CD2-CG 3.78Å; T194-L198 HydrophobicContact CG2-CD1 4.32Å; T194-L198 WeakPolarHBondContact O-CG 3.37Å; T194-L198 PolarHBondContact O-N 3.41Å; L198-L200 PolarHBondContact O-N 3.24Å; L198-F201 PolarHBondContact O-N 3.28Å; L198-D202 HydrophobicContact CB-CB 4.49Å; L198-D202 HydrophobicContact CD2-CB 4.29Å; L198-D202 WeakPolarHBondContact O-CA 3.25Å; L198-D202 WeakPolarHBondContact O-CB 3.4Å; L198-D202 PolarHBondContact O-N 3.13Å; L198-L209 HydrophobicContact CD2-CD2 4.14Å; L198-L209 HydrophobicContact CD2-CG 4.04Å |
| 199 | K | 88.3 | Confident | 89.5 | Confident | 90 Ų | 90 | 43.4 Ų | 43.4 | 39% | 0.391 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.7 | -24.9 | 176.5 | -77.2 | 174.4 | 179.6 | -174.7 | 0 | 115.1 | D54 N57 D195 T196 I197 | D54-K199 IonicContact OD1-NZ 2.66Å; N57-K199 PolarHBondContact ND2-O 3.43Å; N57-K199 PolarHBondContact OD1-O 3.01Å; D195-K199 WeakPolarHBondContact O-CB 3.26Å; D195-K199 VanDerWaalsContact O-CG 3.26Å; D195-K199 WeakPolarHBondContact O-CG 3.31Å; D195-K199 PolarHBondContact O-N 2.94Å; T196-K199 WeakPolarHBondContact O-CB 3.39Å; T196-K199 PolarHBondContact O-N 3.18Å; I197-K199 VanDerWaalsContact C-N 3.34Å; I197-K199 PolarHBondContact O-N 2.94Å |
| 200 | L | 89.2 | Confident | 89.8 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -93.6 | -33.2 | -176.1 | -73.2 | 167.8 | 0 | 0 | 0 | 112.9 | F52 W56 I118 F131 F135 T196 I197 L198 | F52-L200 HydrophobicContact CD1-CD1 4.49Å; W56-L200 HydrophobicContact CB-CD2 3.61Å; W56-L200 VanDerWaalsContact CD1-CD2 3.4Å; W56-L200 HydrophobicContact CD2-CD2 4.43Å; W56-L200 HydrophobicContact CG-CD2 3.49Å; W56-L200 VanDerWaalsContact CG-CD2 3.49Å; I118-L200 HydrophobicContact CD1-CB 4.07Å; I118-L200 HydrophobicContact CD1-CD1 3.64Å; I118-L200 HydrophobicContact CD1-CD2 3.67Å; I118-L200 HydrophobicContact CD1-CG 3.99Å; F131-L200 HydrophobicContact CZ-CD1 3.96Å; F135-L200 HydrophobicContact CZ-CD1 4.21Å; T196-L200 HydrophobicContact CG2-CD1 3.82Å; T196-L200 HydrophobicContact CG2-CG 4.41Å; T196-L200 WeakPolarHBondContact O-CB 3.44Å; T196-L200 WeakPolarHBondContact O-CD1 3.49Å; T196-L200 WeakPolarHBondContact O-CG 3.3Å; T196-L200 PolarHBondContact O-N 3.39Å; I197-L200 HydrophobicContact CD1-CD1 4.41Å; I197-L200 PolarHBondContact O-N 3.5Å; I197-L200 VanDerWaalsContact O-N 3.1Å; L198-L200 PolarHBondContact O-N 3.24Å |
| 201 | F | 89.5 | Confident | 89.9 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 4% | 0.044 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -122.1 | -17.6 | -169.6 | -68.2 | -85.8 | 0 | 0 | 0 | 114.6 | I118 F135 I197 L198 H203 L209 E213 R216 L217 | I118-F201 HydrophobicContact CD1-CE2 3.98Å; I118-F201 HydrophobicContact CD1-CZ 4.01Å; I118-F201 HydrophobicContact CG2-CZ 4Å; F135-F201 AromaticContact CE1-CE2 3.69Å; F135-F201 HydrophobicContact CE1-CE2 3.69Å; F135-F201 AromaticContact CE1-CZ 3.78Å; F135-F201 HydrophobicContact CE1-CZ 3.78Å; F135-F201 HydrophobicContact CZ-CE2 4.21Å; I197-F201 HydrophobicContact CD1-CD2 4.38Å; I197-F201 HydrophobicContact CD1-CE2 4.15Å; I197-F201 HydrophobicContact CG2-CD2 4.1Å; I197-F201 WeakPolarHBondContact O-CD2 3.32Å; I197-F201 PolarHBondContact O-N 3.15Å; L198-F201 PolarHBondContact O-N 3.28Å; F201-H203 PolarHBondContact O-CD2 3.46Å; F201-H203 PolarHBondContact O-N 3.09Å; F201-H203 VanDerWaalsContact O-N 3.15Å; F201-L209 HydrophobicContact CB-CD2 3.82Å; F201-E213 VanDerWaalsContact O-CB 3.31Å; F201-E213 WeakPolarHBondContact O-CB 3.5Å; F201-E213 WeakPolarHBondContact O-CG 3.45Å; F201-R216 HydrophobicContact CD1-CB 3.96Å; F201-R216 HydrophobicContact CE1-CB 3.97Å; F201-L217 HydrophobicContact CD1-CB 4.15Å; F201-L217 HydrophobicContact CD2-CB 4.43Å; F201-L217 HydrophobicContact CD2-CD1 3.95Å; F201-L217 HydrophobicContact CE1-CB 4.2Å; F201-L217 HydrophobicContact CE2-CB 4.49Å; F201-L217 HydrophobicContact CE2-CD1 3.6Å; F201-L217 HydrophobicContact CG-CB 4.26Å; F201-L217 HydrophobicContact CZ-CB 4.36Å; F201-L217 HydrophobicContact CZ-CD1 3.96Å |
| 202 | D | 90 | Very high | 89.9 | Confident | 18 Ų | 18 | 38.2 Ų | 38.2 | 10% | 0.096 | 19% | 0.185 | C | C | . | . | trans | -81.1 | 90.4 | 172.5 | 172.6 | 9.2 | 0 | 0 | 0 | 108.8 | L198 N204 R205 D206 G207 L209 | L198-D202 HydrophobicContact CB-CB 4.49Å; L198-D202 HydrophobicContact CD2-CB 4.29Å; L198-D202 WeakPolarHBondContact O-CA 3.25Å; L198-D202 WeakPolarHBondContact O-CB 3.4Å; L198-D202 PolarHBondContact O-N 3.13Å; D202-N204 PolarHBondContact OD1-OD1 2.97Å; D202-R205 WeakPolarHBondContact OD1-CA 3.41Å; D202-R205 PolarHBondContact OD1-N 3.05Å; D202-R205 WeakPolarHBondContact OD2-CA 3.1Å; D202-D206 PolarHBondContact OD1-N 3.23Å; D202-D206 PolarHBondContact OD2-N 3.29Å; D202-G207 VanDerWaalsContact OD2-CA 3.25Å; D202-G207 WeakPolarHBondContact OD2-CA 3.31Å; D202-G207 PolarHBondContact OD2-N 2.84Å; D202-L209 HydrophobicContact CB-CD2 4.12Å | ||
| 203 | H | 83.6 | Confident | 89.9 | Confident | 58 Ų | 58 | 35.5 Ų | 35.5 | 27% | 0.269 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -76.1 | -35.9 | -174.8 | -77.6 | -83.5 | 0 | 0 | 0 | 112 | G63 F201 R205 E213 R216 | G63-H203 PolarHBondContact O-CE1 2.79Å; G63-H203 PolarHBondContact O-ND1 3.11Å; F201-H203 PolarHBondContact O-CD2 3.46Å; F201-H203 PolarHBondContact O-N 3.09Å; F201-H203 VanDerWaalsContact O-N 3.15Å; H203-R205 PolarHBondContact O-N 3.08Å; H203-E213 PolarHBondContact N-OE1 2.85Å; H203-R216 PolarHBondContact CD2-NH1 2.98Å; H203-R216 PolarHBondContact CD2-NH2 3.22Å; H203-R216 PolarHBondContact CE1-NH1 2.5Å; H203-R216 PolarHBondContact NE2-NH1 3.32Å |
| 204 | N | 85.1 | Confident | 89.9 | Confident | 74 Ų | 74 | 35.4 Ų | 35.4 | 40% | 0.396 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -80.1 | -10.5 | -179.3 | 74.7 | 20.3 | 0 | 0 | 0 | 112.2 | D202 D206 | D202-N204 PolarHBondContact OD1-OD1 2.97Å; N204-D206 VanDerWaalsContact C-N 3.3Å; N204-D206 PolarHBondContact ND2-OD2 3.48Å; N204-D206 VanDerWaalsContact ND2-OD2 3.16Å; N204-D206 PolarHBondContact O-N 2.82Å; N204-D206 VanDerWaalsContact OD1-CB 3.23Å; N204-D206 WeakPolarHBondContact OD1-CB 3.48Å; N204-D206 PolarHBondContact OD1-N 3.33Å; N204-D206 PolarHBondContact OD1-OD1 3.24Å; N204-D206 PolarHBondContact OD1-OD2 3.36Å |
| 205 | R | 85.6 | Confident | 89.7 | Confident | 219 Ų | 219 | 35.7 Ų | 35.7 | 83% | 0.826 | 18% | 0.175 | S | C | * | . | trans | 59.4 | 34.8 | 179 | -56.7 | -174.1 | -177.5 | -177.2 | 1.4 | 113.4 | D202 H203 G207 | D202-R205 WeakPolarHBondContact OD1-CA 3.41Å; D202-R205 PolarHBondContact OD1-N 3.05Å; D202-R205 WeakPolarHBondContact OD2-CA 3.1Å; H203-R205 PolarHBondContact O-N 3.08Å; R205-G207 VanDerWaalsContact C-N 3.3Å | ||
| 206 | D | 89.7 | Confident | 89.3 | Confident | 72 Ų | 72 | 35.7 Ų | 35.7 | 39% | 0.385 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -86.7 | -2.7 | 177.4 | 72.1 | 5.8 | 0 | 0 | 0 | 113.3 | D202 N204 K208 | D202-D206 PolarHBondContact OD1-N 3.23Å; D202-D206 PolarHBondContact OD2-N 3.29Å; N204-D206 VanDerWaalsContact C-N 3.3Å; N204-D206 PolarHBondContact ND2-OD2 3.48Å; N204-D206 VanDerWaalsContact ND2-OD2 3.16Å; N204-D206 PolarHBondContact O-N 2.82Å; N204-D206 VanDerWaalsContact OD1-CB 3.23Å; N204-D206 WeakPolarHBondContact OD1-CB 3.48Å; N204-D206 PolarHBondContact OD1-N 3.33Å; N204-D206 PolarHBondContact OD1-OD1 3.24Å; N204-D206 PolarHBondContact OD1-OD2 3.36Å; D206-K208 VanDerWaalsContact CG-CE 3.43Å; D206-K208 VanDerWaalsContact CG-CG 3.43Å; D206-K208 WeakPolarHBondContact OD1-CG 3.16Å; D206-K208 PolarHBondContact OD1-N 3.28Å; D206-K208 WeakPolarHBondContact OD2-CE 3.49Å; D206-K208 IonicContact OD2-NZ 3.17Å |
| 207 | G | 89.7 | Confident | 89.1 | Confident | 37 Ų | 37 | 36 Ų | 36 | 38% | 0.381 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 85.2 | 10.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D202 R205 | D202-G207 VanDerWaalsContact OD2-CA 3.25Å; D202-G207 WeakPolarHBondContact OD2-CA 3.31Å; D202-G207 PolarHBondContact OD2-N 2.84Å; R205-G207 VanDerWaalsContact C-N 3.3Å |
| 208 | K | 92.9 | Very high | 88.8 | Confident | 50 Ų | 50 | 36.6 Ų | 36.6 | 22% | 0.217 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -139.4 | 159.6 | 180 | 53 | -179.3 | -170.8 | 163.1 | 0 | 109.2 | F161 I162 E163 D206 | F161-K208 HydrophobicContact CB-CB 4.26Å; F161-K208 HydrophobicContact CB-CD 3.66Å; F161-K208 HydrophobicContact CB-CG 4.18Å; F161-K208 HydrophobicContact CD1-CD 3.83Å; F161-K208 HydrophobicContact CD1-CG 4.22Å; F161-K208 HydrophobicContact CD2-CD 4.22Å; F161-K208 HydrophobicContact CG-CD 3.63Å; F161-K208 HydrophobicContact CG-CG 4.35Å; I162-K208 CarbonylContact O-C 3.58Å; I162-K208 WeakPolarHBondContact O-CA 3.48Å; I162-K208 WeakPolarHBondContact O-CB 3.5Å; E163-K208 HydrophobicContact CG-CB 4.44Å; D206-K208 VanDerWaalsContact CG-CE 3.43Å; D206-K208 VanDerWaalsContact CG-CG 3.43Å; D206-K208 WeakPolarHBondContact OD1-CG 3.16Å; D206-K208 PolarHBondContact OD1-N 3.28Å; D206-K208 WeakPolarHBondContact OD2-CE 3.49Å; D206-K208 IonicContact OD2-NZ 3.17Å |
| 209 | L | 92.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -99.6 | 123.7 | 177.3 | -61.3 | 175.3 | 0 | 0 | 0 | 110.1 | F161 I162 L167 I197 L198 F201 D202 E213 M214 L217 | F161-L209 CarbonylContact C-O 3.42Å; F161-L209 WeakPolarHBondContact CA-O 3.41Å; I162-L209 HydrophobicContact CB-CB 4.27Å; I162-L209 PolarHBondContact N-O 3.06Å; I162-L209 PolarHBondContact O-N 2.7Å; L167-L209 HydrophobicContact CD1-CD1 3.98Å; L167-L209 HydrophobicContact CD2-CD1 4.01Å; I197-L209 HydrophobicContact CG2-CD1 4.27Å; L198-L209 HydrophobicContact CD2-CD2 4.14Å; L198-L209 HydrophobicContact CD2-CG 4.04Å; F201-L209 HydrophobicContact CB-CD2 3.82Å; D202-L209 HydrophobicContact CB-CD2 4.12Å; L209-E213 WeakPolarHBondContact CA-OE2 3.5Å; L209-E213 HydrophobicContact CB-CB 4.39Å; L209-E213 HydrophobicContact CD2-CB 4.06Å; L209-M214 HydrophobicContact CD1-SD 4.25Å; L209-L217 HydrophobicContact CD1-CD2 4.05Å |
| 210 | Q | 93.5 | Very high | 88 | Confident | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.056 | 16% | 0.161 | C | C | . | . | trans | -81.9 | 173.9 | 167 | 54.5 | 174.5 | -14.4 | 0 | 0 | 111.9 | W151 F161 S212 E213 M214 D275 D277 | W151-Q210 VanDerWaalsContact CH2-C 3.46Å; F161-Q210 HydrophobicContact CD1-CB 3.85Å; F161-Q210 HydrophobicContact CE1-CB 3.92Å; Q210-S212 PolarHBondContact O-N 3.04Å; Q210-E213 HydrophobicContact CG-CB 4.2Å; Q210-E213 VanDerWaalsContact CG-CD 3.42Å; Q210-E213 HydrophobicContact CG-CG 3.65Å; Q210-E213 VanDerWaalsContact CG-OE2 3.27Å; Q210-E213 WeakPolarHBondContact CG-OE2 3.43Å; Q210-E213 PolarHBondContact N-OE2 2.9Å; Q210-E213 PolarHBondContact NE2-OE1 2.85Å; Q210-E213 WeakPolarHBondContact O-CB 3.44Å; Q210-E213 PolarHBondContact O-N 3.1Å; Q210-M214 PolarHBondContact O-N 2.82Å; Q210-D275 VanDerWaalsContact CD-OD1 3.29Å; Q210-D275 PolarHBondContact NE2-OD1 2.77Å; Q210-D275 PolarHBondContact OE1-OD1 3.07Å; Q210-D277 HydrophobicContact CB-CB 4.43Å | ||
| 211 | L | 91.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | -169.8 | -161 | 136.1 | 0 | 0 | 0 | 113.1 | F147 M148 W151 E213 S215 K266 F276 E278 L281 | F147-L211 HydrophobicContact CE1-CD2 4.43Å; F147-L211 HydrophobicContact CE1-CG 4.29Å; M148-L211 HydrophobicContact CE-CD1 4Å; M148-L211 HydrophobicContact SD-CD1 4.07Å; W151-L211 HydrophobicContact CD2-CD1 3.91Å; W151-L211 HydrophobicContact CD2-CG 4.2Å; W151-L211 HydrophobicContact CE3-CD1 4.49Å; W151-L211 HydrophobicContact CE3-CG 4.29Å; W151-L211 HydrophobicContact CG-CD1 4.2Å; W151-L211 VanDerWaalsContact CH2-CA 3.47Å; W151-L211 HydrophobicContact CH2-CB 3.95Å; W151-L211 HydrophobicContact CH2-CG 4.47Å; W151-L211 VanDerWaalsContact CH2-N 3.31Å; W151-L211 HydrophobicContact CZ2-CB 4.02Å; W151-L211 HydrophobicContact CZ2-CD1 4.05Å; W151-L211 HydrophobicContact CZ2-CG 4.34Å; W151-L211 HydrophobicContact CZ3-CB 4.24Å; W151-L211 HydrophobicContact CZ3-CG 4.45Å; L211-E213 VanDerWaalsContact C-N 3.33Å; L211-S215 WeakPolarHBondContact O-CB 3.41Å; L211-S215 PolarHBondContact O-N 3.05Å; L211-K266 HydrophobicContact CD2-CD 4.4Å; L211-K266 HydrophobicContact CD2-CG 4.09Å; L211-F276 HydrophobicContact CD2-CD2 3.92Å; L211-F276 HydrophobicContact CD2-CE2 3.29Å; L211-F276 HydrophobicContact CD2-CZ 4.16Å; L211-E278 HydrophobicContact CD1-CB 4.23Å; L211-L281 HydrophobicContact CD2-CD1 3.96Å |
| 212 | S | 89.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68 | -25.5 | 173.9 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | Q210 S215 R216 E274 F276 | Q210-S212 PolarHBondContact O-N 3.04Å; S212-S215 WeakPolarHBondContact CA-OG 3.48Å; S212-S215 PolarHBondContact O-OG 3.46Å; S212-R216 PolarHBondContact O-NE 3.31Å; S212-R216 VanDerWaalsContact O-NE 3.12Å; S212-E274 WeakPolarHBondContact CB-O 3.12Å; S212-F276 VanDerWaalsContact CB-O 3.3Å; S212-F276 WeakPolarHBondContact CB-O 3.4Å; S212-F276 PolarHBondContact N-O 3.31Å; S212-F276 VanDerWaalsContact N-O 3.15Å; S212-F276 PolarHBondContact OG-O 3.44Å |
| 213 | E | 90.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -82.4 | -44.3 | 177.7 | -68.1 | 173.2 | 162.2 | 0 | 0 | 110.5 | F201 H203 L209 Q210 L211 S215 R216 L217 | F201-E213 VanDerWaalsContact O-CB 3.31Å; F201-E213 WeakPolarHBondContact O-CB 3.5Å; F201-E213 WeakPolarHBondContact O-CG 3.45Å; H203-E213 PolarHBondContact N-OE1 2.85Å; L209-E213 WeakPolarHBondContact CA-OE2 3.5Å; L209-E213 HydrophobicContact CB-CB 4.39Å; L209-E213 HydrophobicContact CD2-CB 4.06Å; Q210-E213 HydrophobicContact CG-CB 4.2Å; Q210-E213 VanDerWaalsContact CG-CD 3.42Å; Q210-E213 HydrophobicContact CG-CG 3.65Å; Q210-E213 VanDerWaalsContact CG-OE2 3.27Å; Q210-E213 WeakPolarHBondContact CG-OE2 3.43Å; Q210-E213 PolarHBondContact N-OE2 2.9Å; Q210-E213 PolarHBondContact NE2-OE1 2.85Å; Q210-E213 WeakPolarHBondContact O-CB 3.44Å; Q210-E213 PolarHBondContact O-N 3.1Å; L211-E213 VanDerWaalsContact C-N 3.33Å; E213-S215 VanDerWaalsContact C-N 3.27Å; E213-S215 PolarHBondContact O-N 2.56Å; E213-R216 WeakPolarHBondContact O-CB 3.5Å; E213-R216 PolarHBondContact O-N 3.36Å; E213-R216 VanDerWaalsContact O-N 3.11Å; E213-L217 PolarHBondContact O-N 2.68Å; E213-L217 VanDerWaalsContact O-N 3.08Å |
| 214 | M | 90.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.8 | -32.1 | 174.8 | -172.7 | 64.4 | 156.8 | 0 | 0 | 112.2 | F147 W151 I162 F170 L209 Q210 R216 L217 I218 | F147-M214 HydrophobicContact CE2-CG 4.08Å; F147-M214 WeakPolarHBondContact CE2-O 3.43Å; F147-M214 HydrophobicContact CZ-CB 4.08Å; F147-M214 HydrophobicContact CZ-CG 3.94Å; W151-M214 HydrophobicContact CE3-CB 3.75Å; W151-M214 HydrophobicContact CE3-CG 3.67Å; W151-M214 HydrophobicContact CZ3-CB 3.39Å; W151-M214 HydrophobicContact CZ3-CG 3.77Å; I162-M214 HydrophobicContact CG1-CE 4.44Å; F170-M214 HydrophobicContact CD1-CE 4.29Å; F170-M214 HydrophobicContact CD2-CE 4.12Å; F170-M214 HydrophobicContact CE1-CE 4.4Å; F170-M214 HydrophobicContact CE2-CE 4.24Å; F170-M214 HydrophobicContact CG-CE 4.16Å; F170-M214 HydrophobicContact CZ-CE 4.39Å; L209-M214 HydrophobicContact CD1-SD 4.25Å; Q210-M214 PolarHBondContact O-N 2.82Å; M214-R216 VanDerWaalsContact C-N 3.26Å; M214-R216 PolarHBondContact O-N 3.31Å; M214-L217 PolarHBondContact O-N 3.19Å; M214-L217 HydrophobicContact SD-CD2 3.84Å; M214-I218 HydrophobicContact CE-CD1 3.44Å; M214-I218 VanDerWaalsContact CE-CD1 3.44Å; M214-I218 HydrophobicContact CE-CG1 4.44Å; M214-I218 HydrophobicContact CG-CD1 4.42Å; M214-I218 PolarHBondContact O-N 2.88Å; M214-I218 HydrophobicContact SD-CD1 3.86Å; M214-I218 HydrophobicContact SD-CG1 4.26Å |
| 215 | S | 87.5 | Confident | 83.3 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.5 | -29.5 | 174.2 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | F147 L211 S212 E213 I218 | F147-S215 VanDerWaalsContact CE2-CA 3.46Å; L211-S215 WeakPolarHBondContact O-CB 3.41Å; L211-S215 PolarHBondContact O-N 3.05Å; S212-S215 WeakPolarHBondContact CA-OG 3.48Å; S212-S215 PolarHBondContact O-OG 3.46Å; E213-S215 VanDerWaalsContact C-N 3.27Å; E213-S215 PolarHBondContact O-N 2.56Å; S215-I218 CarbonylContact O-C 3.55Å |
| 216 | R | 84.7 | Confident | 82 | Confident | 69 Ų | 69 | 26.9 Ų | 26.9 | 26% | 0.26 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -76.6 | -38.7 | 174.2 | -72.6 | -178.4 | -79 | 165.1 | -2.5 | 112.1 | R119 F201 H203 S212 E213 M214 | R119-R216 PolarHBondContact NH2-O 2.76Å; R119-R216 VanDerWaalsContact NH2-O 3.14Å; F201-R216 HydrophobicContact CD1-CB 3.96Å; F201-R216 HydrophobicContact CE1-CB 3.97Å; H203-R216 PolarHBondContact CD2-NH1 2.98Å; H203-R216 PolarHBondContact CD2-NH2 3.22Å; H203-R216 PolarHBondContact CE1-NH1 2.5Å; H203-R216 PolarHBondContact NE2-NH1 3.32Å; S212-R216 PolarHBondContact O-NE 3.31Å; S212-R216 VanDerWaalsContact O-NE 3.12Å; E213-R216 WeakPolarHBondContact O-CB 3.5Å; E213-R216 PolarHBondContact O-N 3.36Å; E213-R216 VanDerWaalsContact O-N 3.11Å; M214-R216 VanDerWaalsContact C-N 3.26Å; M214-R216 PolarHBondContact O-N 3.31Å |
| 217 | L | 86 | Confident | 80.7 | Confident | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 173.4 | 178.1 | 60.7 | 0 | 0 | 0 | 111.3 | F135 L167 F170 I197 F201 L209 E213 M214 P219 | F135-L217 HydrophobicContact CE1-CD1 4.48Å; L167-L217 HydrophobicContact CD1-CD2 4.27Å; F170-L217 HydrophobicContact CE1-CD2 4.41Å; I197-L217 HydrophobicContact CD1-CD1 3.81Å; I197-L217 HydrophobicContact CG2-CD1 4.03Å; I197-L217 HydrophobicContact CG2-CD2 3.63Å; I197-L217 HydrophobicContact CG2-CG 4.47Å; F201-L217 HydrophobicContact CD1-CB 4.15Å; F201-L217 HydrophobicContact CD2-CB 4.43Å; F201-L217 HydrophobicContact CD2-CD1 3.95Å; F201-L217 HydrophobicContact CE1-CB 4.2Å; F201-L217 HydrophobicContact CE2-CB 4.49Å; F201-L217 HydrophobicContact CE2-CD1 3.6Å; F201-L217 HydrophobicContact CG-CB 4.26Å; F201-L217 HydrophobicContact CZ-CB 4.36Å; F201-L217 HydrophobicContact CZ-CD1 3.96Å; L209-L217 HydrophobicContact CD1-CD2 4.05Å; E213-L217 PolarHBondContact O-N 2.68Å; E213-L217 VanDerWaalsContact O-N 3.08Å; M214-L217 PolarHBondContact O-N 3.19Å; M214-L217 HydrophobicContact SD-CD2 3.84Å; L217-P219 VanDerWaalsContact C-CD 3.48Å; L217-P219 WeakPolarHBondContact O-CD 3.48Å |
| 218 | I | 84.1 | Confident | 78.9 | Confident | 12 Ų | 12 | 30.9 Ų | 30.9 | 6% | 0.062 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -115.8 | 80.5 | -178.4 | -44.3 | 172.5 | 0 | 0 | 0 | 109.7 | L141 F147 V150 F170 M214 S215 | L141-I218 HydrophobicContact CD1-CG2 3.62Å; L141-I218 HydrophobicContact CG-CG2 3.68Å; F147-I218 HydrophobicContact CD2-CB 4.44Å; F147-I218 HydrophobicContact CE2-CB 4.31Å; V150-I218 HydrophobicContact CG1-CD1 4.3Å; F170-I218 HydrophobicContact CD2-CD1 4.42Å; F170-I218 HydrophobicContact CE1-CD1 3.94Å; F170-I218 HydrophobicContact CE1-CG1 4.4Å; F170-I218 HydrophobicContact CE2-CD1 3.43Å; F170-I218 VanDerWaalsContact CE2-CD1 3.43Å; F170-I218 HydrophobicContact CZ-CD1 3.13Å; F170-I218 HydrophobicContact CZ-CG1 3.82Å; M214-I218 HydrophobicContact CE-CD1 3.44Å; M214-I218 VanDerWaalsContact CE-CD1 3.44Å; M214-I218 HydrophobicContact CE-CG1 4.44Å; M214-I218 HydrophobicContact CG-CD1 4.42Å; M214-I218 PolarHBondContact O-N 2.88Å; M214-I218 HydrophobicContact SD-CD1 3.86Å; M214-I218 HydrophobicContact SD-CG1 4.26Å; S215-I218 CarbonylContact O-C 3.55Å |
| 219 | P | 80.8 | Confident | 76.9 | Confident | 18 Ų | 18 | 31.6 Ų | 31.6 | 12% | 0.117 | 16% | 0.159 | C | C | . | . | trans | -60.2 | 148.2 | 177 | 26.1 | -37.9 | 0 | 0 | 0 | 112.4 | K140 L141 L217 | K140-P219 CarbonylContact C-O 3.57Å; K140-P219 VanDerWaalsContact CA-O 3.24Å; K140-P219 WeakPolarHBondContact CA-O 3.38Å; K140-P219 HydrophobicContact CG-CB 4.2Å; K140-P219 HydrophobicContact CG-CG 3.8Å; L141-P219 PolarHBondContact N-O 3.39Å; L217-P219 VanDerWaalsContact C-CD 3.48Å; L217-P219 WeakPolarHBondContact O-CD 3.48Å | ||
| 220 | V | 82.2 | Confident | 75 | Confident | 16 Ų | 16 | 33.5 Ų | 33.5 | 10% | 0.097 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -90.4 | 153.5 | 165.9 | -63.9 | 0 | 0 | 0 | 0 | 110.4 | L141 S143 F147 E222 | L141-V220 HydrophobicContact CB-CG1 4.18Å; L141-V220 CarbonylContact O-C 3.33Å; L141-V220 VanDerWaalsContact O-CA 3.24Å; L141-V220 WeakPolarHBondContact O-CA 3.44Å; S143-V220 WeakPolarHBondContact O-CG1 3.39Å; F147-V220 HydrophobicContact CB-CG1 3.86Å; V220-E222 VanDerWaalsContact C-N 3.34Å; V220-E222 PolarHBondContact O-N 2.89Å |
| 221 | E | 72.9 | Confident | 73.1 | Confident | 92 Ų | 92 | 39.5 Ų | 39.5 | 43% | 0.43 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -59 | -46.4 | -179.2 | -76.2 | -161.4 | 143.5 | 0 | 0 | 112 | K140 L141 R364 | K140-E221 HydrophobicContact CB-CG 3.8Å; L141-E221 PolarHBondContact O-N 3.01Å; E221-R364 VanDerWaalsContact CD-NH2 3.29Å; E221-R364 IonicContact OE1-CZ 2.74Å; E221-R364 IonicContact OE1-NH1 2.92Å; E221-R364 IonicContact OE1-NH2 3.18Å; E221-R364 PolarHBondContact OE1-NH2 3.42Å; E221-R364 IonicContact OE2-NH2 2.61Å |
| 222 | E | 68.1 | Low | 71.1 | Confident | 79 Ų | 79 | 45.9 Ų | 45.9 | 37% | 0.369 | 22% | 0.223 | S | C | . | . | trans | -142.7 | 124.8 | 173 | -74.2 | -171.9 | 174.5 | 0 | 0 | 109.7 | V220 F224 R227 | V220-E222 VanDerWaalsContact C-N 3.34Å; V220-E222 PolarHBondContact O-N 2.89Å; E222-F224 HydrophobicContact CB-CD1 4.03Å; E222-F224 HydrophobicContact CB-CE1 3.93Å; E222-F224 HydrophobicContact CB-CZ 4.32Å; E222-F224 PolarHBondContact O-N 3.47Å; E222-F224 WeakPolarHBondContact OE2-CD1 3.43Å; E222-F224 WeakPolarHBondContact OE2-CE1 3.41Å; E222-R227 IonicContact OE1-NE 3.73Å; E222-R227 IonicContact OE1-NH2 3.96Å; E222-R227 PolarHBondContact OE1-NH2 3.31Å; E222-R227 IonicContact OE2-CZ 2.71Å; E222-R227 IonicContact OE2-NE 3.51Å; E222-R227 PolarHBondContact OE2-NE 3.07Å; E222-R227 IonicContact OE2-NH2 3.75Å; E222-R227 PolarHBondContact OE2-NH2 3.38Å | ||
| 223 | N | 66 | Low | 69.2 | Low | 16 Ų | 16 | 48.3 Ų | 48.3 | 9% | 0.086 | 24% | 0.243 | C | C | . | . | trans | -72.9 | 102.9 | 151.4 | 178.1 | -26.4 | 0 | 0 | 0 | 106 | L225 C226 D267 | N223-L225 PolarHBondContact O-N 3.15Å; N223-L225 VanDerWaalsContact O-N 3.17Å; N223-L225 PolarHBondContact OD1-N 3.4Å; N223-L225 VanDerWaalsContact OD1-N 3.17Å; N223-C226 HydrophobicContact CB-CB 4.19Å; N223-C226 VanDerWaalsContact O-CB 3.29Å; N223-C226 WeakPolarHBondContact O-CB 3.29Å; N223-C226 PolarHBondContact O-N 2.86Å; N223-C226 PolarHBondContact OD1-N 3.14Å; N223-D267 PolarHBondContact ND2-O 3.15Å; N223-D267 WeakPolarHBondContact OD1-CB 3.49Å | ||
| 224 | F | 66.4 | Low | 67.4 | Low | 24 Ų | 24 | 50.8 Ų | 50.8 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -63.4 | -25.1 | -171.1 | -65.6 | -73.6 | 0 | 0 | 0 | 113.1 | E222 C226 R227 L247 | E222-F224 HydrophobicContact CB-CD1 4.03Å; E222-F224 HydrophobicContact CB-CE1 3.93Å; E222-F224 HydrophobicContact CB-CZ 4.32Å; E222-F224 PolarHBondContact O-N 3.47Å; E222-F224 WeakPolarHBondContact OE2-CD1 3.43Å; E222-F224 WeakPolarHBondContact OE2-CE1 3.41Å; F224-C226 VanDerWaalsContact C-N 3.31Å; F224-R227 WeakPolarHBondContact O-CB 3.26Å; F224-R227 WeakPolarHBondContact O-CG 3.42Å; F224-R227 PolarHBondContact O-N 3.14Å; F224-L247 HydrophobicContact CB-CD1 4.09Å; F224-L247 HydrophobicContact CD1-CD1 3.46Å; F224-L247 VanDerWaalsContact CD1-CD1 3.46Å; F224-L247 HydrophobicContact CD1-CD2 4.32Å; F224-L247 HydrophobicContact CD1-CG 4.44Å; F224-L247 HydrophobicContact CD2-CB 4.28Å; F224-L247 HydrophobicContact CD2-CD1 4.11Å; F224-L247 HydrophobicContact CE1-CD1 3.83Å; F224-L247 HydrophobicContact CE1-CD2 3.81Å; F224-L247 HydrophobicContact CE1-CG 4.4Å; F224-L247 HydrophobicContact CE2-CB 4.35Å; F224-L247 HydrophobicContact CE2-CD1 4.42Å; F224-L247 HydrophobicContact CE2-CD2 4.16Å; F224-L247 HydrophobicContact CG-CD1 3.61Å; F224-L247 HydrophobicContact CZ-CD1 4.3Å; F224-L247 HydrophobicContact CZ-CD2 3.72Å; F224-L247 HydrophobicContact CZ-CG 4.47Å |
| 225 | L | 64.2 | Low | 65.8 | Low | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -77.9 | -16.6 | 175.6 | -53.4 | 179 | 0 | 0 | 0 | 112.3 | N223 R227 F230 V244 F264 D267 L268 L271 | N223-L225 PolarHBondContact O-N 3.15Å; N223-L225 VanDerWaalsContact O-N 3.17Å; N223-L225 PolarHBondContact OD1-N 3.4Å; N223-L225 VanDerWaalsContact OD1-N 3.17Å; L225-R227 PolarHBondContact O-N 3.34Å; L225-F230 VanDerWaalsContact O-CB 3.25Å; L225-F230 WeakPolarHBondContact O-CB 3.21Å; L225-V244 HydrophobicContact CD2-CG1 3.93Å; L225-F264 HydrophobicContact CD1-CD2 4.12Å; L225-F264 HydrophobicContact CD1-CE2 3.85Å; L225-F264 HydrophobicContact CD2-CE2 4.27Å; L225-D267 HydrophobicContact CD1-CB 3.84Å; L225-D267 HydrophobicContact CG-CB 4.19Å; L225-L268 HydrophobicContact CD1-CB 4.05Å; L225-L268 HydrophobicContact CD1-CD1 4.33Å; L225-L271 HydrophobicContact CB-CD1 3.51Å; L225-L271 HydrophobicContact CB-CG 4.38Å; L225-L271 HydrophobicContact CD1-CD1 4.35Å |
| 226 | C | 59.6 | Low | 64.8 | Low | 45 Ų | 45 | 59.9 Ų | 59.9 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -74 | -9.5 | 171.4 | -79.1 | 0 | 0 | 0 | 0 | 113.6 | N223 F224 K231 L271 | N223-C226 HydrophobicContact CB-CB 4.19Å; N223-C226 VanDerWaalsContact O-CB 3.29Å; N223-C226 WeakPolarHBondContact O-CB 3.29Å; N223-C226 PolarHBondContact O-N 2.86Å; N223-C226 PolarHBondContact OD1-N 3.14Å; F224-C226 VanDerWaalsContact C-N 3.31Å; C226-K231 WeakPolarHBondContact O-CE 3.43Å; C226-L271 WeakPolarHBondContact SG-CD2 3.26Å |
| 227 | R | 61.1 | Low | 64.4 | Low | 101 Ų | 101 | 59.8 Ų | 59.8 | 38% | 0.381 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -58.2 | 141.6 | 177.4 | -72.9 | -177.9 | 170.5 | -151.4 | -1.1 | 109.8 | E222 F224 L225 I229 F230 K231 | E222-R227 IonicContact OE1-NE 3.73Å; E222-R227 IonicContact OE1-NH2 3.96Å; E222-R227 PolarHBondContact OE1-NH2 3.31Å; E222-R227 IonicContact OE2-CZ 2.71Å; E222-R227 IonicContact OE2-NE 3.51Å; E222-R227 PolarHBondContact OE2-NE 3.07Å; E222-R227 IonicContact OE2-NH2 3.75Å; E222-R227 PolarHBondContact OE2-NH2 3.38Å; F224-R227 WeakPolarHBondContact O-CB 3.26Å; F224-R227 WeakPolarHBondContact O-CG 3.42Å; F224-R227 PolarHBondContact O-N 3.14Å; L225-R227 PolarHBondContact O-N 3.34Å; R227-I229 HydrophobicContact CB-CD1 4.49Å; R227-I229 HydrophobicContact CB-CG1 4.38Å; R227-I229 PolarHBondContact O-N 3.04Å; R227-F230 PolarHBondContact O-N 2.87Å; R227-K231 PolarHBondContact O-N 3.48Å |
| 228 | P | 52.6 | Low | 64 | Low | 92 Ų | 92 | 61.9 Ų | 61.9 | 60% | 0.597 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -52.6 | -25.1 | -176.9 | -27.8 | 33.5 | 0 | 0 | 0 | 114.7 | F230 K231 H232 | P228-F230 PolarHBondContact O-N 3.01Å; P228-K231 PolarHBondContact O-N 2.96Å; P228-H232 PolarHBondContact O-N 2.73Å; P228-H232 PolarHBondContact O-ND1 2.85Å |
| 229 | I | 49.7 | Very low | 63.8 | Low | 65 Ų | 65 | 63.4 Ų | 63.4 | 33% | 0.333 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.9 | -30.3 | 177.1 | -38.7 | 171.5 | 0 | 0 | 0 | 111.9 | R227 | R227-I229 HydrophobicContact CB-CD1 4.49Å; R227-I229 HydrophobicContact CB-CG1 4.38Å; R227-I229 PolarHBondContact O-N 3.04Å |
| 230 | F | 53.8 | Low | 63.8 | Low | 40 Ų | 40 | 63.3 Ų | 63.3 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -100.6 | -30.1 | 178.5 | -67.6 | -72.3 | 0 | 0 | 0 | 112.8 | L225 R227 P228 I236 V244 L309 | L225-F230 VanDerWaalsContact O-CB 3.25Å; L225-F230 WeakPolarHBondContact O-CB 3.21Å; R227-F230 PolarHBondContact O-N 2.87Å; P228-F230 PolarHBondContact O-N 3.01Å; F230-I236 HydrophobicContact CD1-CD1 3.82Å; F230-I236 HydrophobicContact CD1-CG1 4.3Å; F230-I236 HydrophobicContact CE1-CD1 3.9Å; F230-I236 HydrophobicContact CE1-CG1 4.24Å; F230-I236 HydrophobicContact CE1-CG2 4.23Å; F230-V244 HydrophobicContact CE1-CG2 4.3Å; F230-V244 HydrophobicContact CE2-CG2 3.49Å; F230-V244 VanDerWaalsContact CE2-CG2 3.49Å; F230-V244 HydrophobicContact CZ-CB 4.47Å; F230-V244 HydrophobicContact CZ-CG2 3.24Å; F230-L309 HydrophobicContact CE1-CD1 4.31Å |
| 231 | K | 54.3 | Low | 63.7 | Low | 137 Ų | 137 | 62.6 Ų | 62.6 | 60% | 0.596 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -71.8 | -28.9 | 175.9 | -69 | -167.4 | 177.1 | -172.5 | 0 | 113.5 | C226 R227 P228 | C226-K231 WeakPolarHBondContact O-CE 3.43Å; R227-K231 PolarHBondContact O-N 3.48Å; P228-K231 PolarHBondContact O-N 2.96Å |
| 232 | H | 48.1 | Very low | 64.3 | Low | 135 Ų | 135 | 61 Ų | 61 | 63% | 0.625 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -105.4 | 116.4 | 172 | -60.7 | 70.4 | 0 | 0 | 0 | 106.4 | P228 G234 | P228-H232 PolarHBondContact O-N 2.73Å; P228-H232 PolarHBondContact O-ND1 2.85Å; H232-G234 PolarHBondContact O-N 3.07Å |
| 233 | A | 50.6 | Low | 65 | Low | 52 Ų | 52 | 63.5 Ų | 63.5 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | trans | -64.2 | 37.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K235 D316 | A233-K235 PolarHBondContact O-N 3.13Å; A233-D316 HydrophobicContact CB-CB 4.12Å | ||
| 234 | G | 51.5 | Low | 65.7 | Low | 52 Ų | 52 | 63 Ų | 63 | 54% | 0.536 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -72.2 | 114.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | H232 I236 | H232-G234 PolarHBondContact O-N 3.07Å; G234-I236 PolarHBondContact O-N 3.35Å |
| 235 | K | 57.6 | Low | 66.6 | Low | 189 Ų | 189 | 62.4 Ų | 62.4 | 82% | 0.822 | 34% | 0.336 | S | S | * | . | trans | -3.1 | 88.5 | 175.9 | -67.7 | -177.5 | 178.9 | 179.5 | 0 | 114.1 | A233 T237 | A233-K235 PolarHBondContact O-N 3.13Å; K235-T237 WeakPolarHBondContact O-CG2 3.3Å; K235-T237 PolarHBondContact O-N 3.11Å | ||
| 236 | I | 66.7 | Low | 67.7 | Low | 15 Ų | 15 | 65.3 Ų | 65.3 | 8% | 0.077 | 36% | 0.361 | C | S | . | . | trans | -50.9 | 115.2 | 167 | -63.9 | 175.6 | 0 | 0 | 0 | 106.6 | F230 G234 D240 V241 L309 | F230-I236 HydrophobicContact CD1-CD1 3.82Å; F230-I236 HydrophobicContact CD1-CG1 4.3Å; F230-I236 HydrophobicContact CE1-CD1 3.9Å; F230-I236 HydrophobicContact CE1-CG1 4.24Å; F230-I236 HydrophobicContact CE1-CG2 4.23Å; G234-I236 PolarHBondContact O-N 3.35Å; I236-D240 HydrophobicContact CG2-CB 4.1Å; I236-V241 HydrophobicContact CG2-CG2 3.63Å; I236-L309 HydrophobicContact CD1-CB 4.35Å | ||
| 237 | T | 75.6 | Confident | 68.8 | Low | 66 Ų | 66 | 66.2 Ų | 66.2 | 41% | 0.405 | 36% | 0.362 | S | S | . | . | trans | -82.3 | 157.5 | -179.5 | 71.6 | 0 | 0 | 0 | 0 | 109.9 | K235 A239 D240 V241 | K235-T237 WeakPolarHBondContact O-CG2 3.3Å; K235-T237 PolarHBondContact O-N 3.11Å; T237-A239 PolarHBondContact O-N 2.99Å; T237-A239 VanDerWaalsContact O-N 3.16Å; T237-A239 PolarHBondContact OG1-N 2.8Å; T237-D240 VanDerWaalsContact CB-OD2 3.3Å; T237-D240 WeakPolarHBondContact CB-OD2 3.38Å; T237-D240 PolarHBondContact N-OD2 3.25Å; T237-D240 WeakPolarHBondContact O-CB 3.49Å; T237-D240 PolarHBondContact O-N 3.09Å; T237-D240 VanDerWaalsContact OG1-CG 3.32Å; T237-D240 PolarHBondContact OG1-N 2.92Å; T237-D240 PolarHBondContact OG1-OD2 3.45Å; T237-V241 PolarHBondContact O-N 3.03Å; T237-V241 VanDerWaalsContact O-N 3.15Å | ||
| 238 | A | 77 | Confident | 70.1 | Confident | 50 Ų | 50 | 61.5 Ų | 61.5 | 41% | 0.413 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -47.7 | -40.6 | 169 | 0 | 0 | 0 | 0 | 0 | 112.4 | V241 D242 R306 | A238-V241 PolarHBondContact O-N 3.04Å; A238-D242 PolarHBondContact O-N 2.98Å; A238-R306 PolarHBondContact O-NH2 2.61Å |
| 239 | A | 81.3 | Confident | 71.8 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 37% | 0.372 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.6 | -26.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T237 R243 | T237-A239 PolarHBondContact O-N 2.99Å; T237-A239 VanDerWaalsContact O-N 3.16Å; T237-A239 PolarHBondContact OG1-N 2.8Å; A239-R243 WeakPolarHBondContact O-CG 3.29Å; A239-R243 PolarHBondContact O-N 3.31Å; A239-R243 PolarHBondContact O-NH1 3.26Å |
| 240 | D | 79.6 | Confident | 73.5 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.08 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68 | -44.7 | 171.2 | -66 | -60.1 | 0 | 0 | 0 | 110.3 | I236 T237 D242 R243 V244 | I236-D240 HydrophobicContact CG2-CB 4.1Å; T237-D240 VanDerWaalsContact CB-OD2 3.3Å; T237-D240 WeakPolarHBondContact CB-OD2 3.38Å; T237-D240 PolarHBondContact N-OD2 3.25Å; T237-D240 WeakPolarHBondContact O-CB 3.49Å; T237-D240 PolarHBondContact O-N 3.09Å; T237-D240 VanDerWaalsContact OG1-CG 3.32Å; T237-D240 PolarHBondContact OG1-N 2.92Å; T237-D240 PolarHBondContact OG1-OD2 3.45Å; D240-D242 PolarHBondContact O-N 2.97Å; D240-R243 PolarHBondContact O-N 3.33Å; D240-R243 IonicContact OD1-CZ 2.77Å; D240-R243 IonicContact OD1-NH2 2.7Å; D240-R243 PolarHBondContact OD1-NH2 2.95Å; D240-V244 WeakPolarHBondContact O-CG2 3.41Å; D240-V244 PolarHBondContact O-N 2.67Å |
| 241 | V | 81.2 | Confident | 75.2 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 177.2 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | I236 T237 A238 R243 V244 F245 L302 M305 R306 L309 | I236-V241 HydrophobicContact CG2-CG2 3.63Å; T237-V241 PolarHBondContact O-N 3.03Å; T237-V241 VanDerWaalsContact O-N 3.15Å; A238-V241 PolarHBondContact O-N 3.04Å; V241-R243 PolarHBondContact O-N 2.99Å; V241-V244 PolarHBondContact O-N 3.43Å; V241-V244 VanDerWaalsContact O-N 3.13Å; V241-F245 WeakPolarHBondContact O-CB 3.39Å; V241-F245 PolarHBondContact O-N 3.18Å; V241-L302 HydrophobicContact CG1-CD1 4.4Å; V241-M305 HydrophobicContact CG1-CB 4.46Å; V241-M305 HydrophobicContact CG1-CG 4.23Å; V241-R306 HydrophobicContact CB-CG 3.74Å; V241-R306 HydrophobicContact CG1-CB 4.22Å; V241-R306 HydrophobicContact CG1-CG 3.37Å; V241-R306 HydrophobicContact CG2-CG 4.12Å; V241-L309 HydrophobicContact CB-CD1 4.41Å; V241-L309 HydrophobicContact CG1-CD1 4.01Å; V241-L309 HydrophobicContact CG2-CB 4.28Å; V241-L309 HydrophobicContact CG2-CD1 4Å |
| 242 | D | 84.8 | Confident | 76.8 | Confident | 60 Ų | 60 | 62 Ų | 62 | 32% | 0.321 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.7 | -36.6 | 178.8 | -63 | -15.2 | 0 | 0 | 0 | 112 | A238 D240 A246 R306 | A238-D242 PolarHBondContact O-N 2.98Å; D240-D242 PolarHBondContact O-N 2.97Å; D242-A246 VanDerWaalsContact O-CB 3.31Å; D242-A246 WeakPolarHBondContact O-CB 3.49Å; D242-A246 PolarHBondContact O-N 3.45Å; D242-R306 IonicContact OD1-CZ 3.86Å; D242-R306 VanDerWaalsContact OD1-CZ 3.29Å; D242-R306 IonicContact OD1-NE 2.82Å; D242-R306 PolarHBondContact OD1-NE 3.21Å; D242-R306 IonicContact OD1-NH2 3.11Å; D242-R306 PolarHBondContact OD1-NH2 2.77Å; D242-R306 IonicContact OD2-NH2 3.28Å; D242-R306 PolarHBondContact OD2-NH2 3.26Å |
| 243 | R | 82.7 | Confident | 78.7 | Confident | 131 Ų | 131 | 59 Ų | 59 | 49% | 0.494 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.6 | -45.8 | 175.1 | -78.8 | -170.4 | -67.8 | -92.9 | 10.6 | 112 | A239 D240 V241 A246 L247 | A239-R243 WeakPolarHBondContact O-CG 3.29Å; A239-R243 PolarHBondContact O-N 3.31Å; A239-R243 PolarHBondContact O-NH1 3.26Å; D240-R243 PolarHBondContact O-N 3.33Å; D240-R243 IonicContact OD1-CZ 2.77Å; D240-R243 IonicContact OD1-NH2 2.7Å; D240-R243 PolarHBondContact OD1-NH2 2.95Å; V241-R243 PolarHBondContact O-N 2.99Å; R243-A246 PolarHBondContact O-N 3.47Å; R243-L247 WeakPolarHBondContact O-CD1 3.4Å; R243-L247 VanDerWaalsContact O-CG 3.26Å; R243-L247 WeakPolarHBondContact O-CG 3.43Å; R243-L247 PolarHBondContact O-N 2.86Å |
| 244 | V | 81.4 | Confident | 80.5 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.03 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 178.6 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | L225 F230 D240 V241 A246 L247 Y248 M305 | L225-V244 HydrophobicContact CD2-CG1 3.93Å; F230-V244 HydrophobicContact CE1-CG2 4.3Å; F230-V244 HydrophobicContact CE2-CG2 3.49Å; F230-V244 VanDerWaalsContact CE2-CG2 3.49Å; F230-V244 HydrophobicContact CZ-CB 4.47Å; F230-V244 HydrophobicContact CZ-CG2 3.24Å; D240-V244 WeakPolarHBondContact O-CG2 3.41Å; D240-V244 PolarHBondContact O-N 2.67Å; V241-V244 PolarHBondContact O-N 3.43Å; V241-V244 VanDerWaalsContact O-N 3.13Å; V244-A246 VanDerWaalsContact C-N 3.33Å; V244-A246 PolarHBondContact O-N 2.95Å; V244-L247 WeakPolarHBondContact O-CB 3.34Å; V244-L247 PolarHBondContact O-N 3.37Å; V244-L247 VanDerWaalsContact O-N 3.07Å; V244-Y248 HydrophobicContact CG1-CD2 3.86Å; V244-Y248 HydrophobicContact CG1-CE2 3.57Å; V244-Y248 VanDerWaalsContact O-CD2 3.25Å; V244-Y248 WeakPolarHBondContact O-CD2 3.36Å; V244-Y248 PolarHBondContact O-N 3.33Å; V244-M305 HydrophobicContact CB-CE 4.37Å; V244-M305 HydrophobicContact CG1-CE 3.47Å; V244-M305 VanDerWaalsContact CG1-CE 3.47Å; V244-M305 HydrophobicContact CG1-SD 4.49Å |
| 245 | F | 86 | Confident | 82.3 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.4 | -49.4 | 177.1 | -168.5 | -84.9 | 0 | 0 | 0 | 111.2 | V241 L247 Y248 D249 G254 I256 I300 S301 L302 M305 | V241-F245 WeakPolarHBondContact O-CB 3.39Å; V241-F245 PolarHBondContact O-N 3.18Å; F245-L247 PolarHBondContact O-N 2.7Å; F245-L247 VanDerWaalsContact O-N 3.14Å; F245-Y248 PolarHBondContact O-N 3.46Å; F245-Y248 VanDerWaalsContact O-N 3.14Å; F245-D249 HydrophobicContact CD1-CB 3.94Å; F245-D249 HydrophobicContact CE1-CB 3.71Å; F245-D249 WeakPolarHBondContact CE1-OD2 3.41Å; F245-D249 HydrophobicContact CZ-CB 4.48Å; F245-D249 VanDerWaalsContact O-CB 3.32Å; F245-D249 WeakPolarHBondContact O-CB 3.41Å; F245-D249 PolarHBondContact O-N 3.22Å; F245-G254 WeakPolarHBondContact CZ-O 3.38Å; F245-I256 HydrophobicContact CD2-CD1 3.56Å; F245-I256 HydrophobicContact CD2-CG1 4.04Å; F245-I256 HydrophobicContact CE2-CD1 3.67Å; F245-I256 HydrophobicContact CE2-CG1 3.66Å; F245-I256 HydrophobicContact CG-CD1 4.18Å; F245-I256 HydrophobicContact CZ-CD1 4.38Å; F245-I256 HydrophobicContact CZ-CG1 3.94Å; F245-I300 WeakPolarHBondContact CE2-O 3.23Å; F245-S301 VanDerWaalsContact CE2-C 3.47Å; F245-L302 HydrophobicContact CB-CD1 3.47Å; F245-L302 VanDerWaalsContact CB-CD1 3.47Å; F245-L302 HydrophobicContact CD1-CB 4.44Å; F245-L302 HydrophobicContact CD1-CD1 4.05Å; F245-L302 HydrophobicContact CD2-CB 4.06Å; F245-L302 HydrophobicContact CD2-CD1 3.74Å; F245-L302 HydrophobicContact CE1-CB 4.39Å; F245-L302 VanDerWaalsContact CE2-CA 3.44Å; F245-L302 HydrophobicContact CE2-CB 4.03Å; F245-L302 HydrophobicContact CG-CB 4.29Å; F245-L302 HydrophobicContact CG-CD1 3.46Å; F245-L302 VanDerWaalsContact CG-CD1 3.46Å; F245-L302 HydrophobicContact CG-CG 4.47Å; F245-L302 HydrophobicContact CZ-CB 4.19Å; F245-M305 HydrophobicContact CB-SD 3.86Å; F245-M305 HydrophobicContact CD2-CB 4.01Å; F245-M305 HydrophobicContact CD2-CG 4.43Å; F245-M305 HydrophobicContact CD2-SD 3.55Å; F245-M305 VanDerWaalsContact CD2-SD 3.55Å; F245-M305 HydrophobicContact CG-SD 4.18Å |
| 246 | A | 86.6 | Confident | 83.8 | Confident | 64 Ų | 64 | 47.5 Ų | 47.5 | 53% | 0.529 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.8 | -15 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D242 R243 V244 | D242-A246 VanDerWaalsContact O-CB 3.31Å; D242-A246 WeakPolarHBondContact O-CB 3.49Å; D242-A246 PolarHBondContact O-N 3.45Å; R243-A246 PolarHBondContact O-N 3.47Å; V244-A246 VanDerWaalsContact C-N 3.33Å; V244-A246 PolarHBondContact O-N 2.95Å |
| 247 | L | 83.2 | Confident | 84.9 | Confident | 64 Ų | 64 | 48.8 Ų | 48.8 | 34% | 0.335 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -83.4 | -32.5 | 175.2 | -73.3 | 163.5 | 0 | 0 | 0 | 112.1 | F224 R243 V244 F245 | F224-L247 HydrophobicContact CB-CD1 4.09Å; F224-L247 HydrophobicContact CD1-CD1 3.46Å; F224-L247 VanDerWaalsContact CD1-CD1 3.46Å; F224-L247 HydrophobicContact CD1-CD2 4.32Å; F224-L247 HydrophobicContact CD1-CG 4.44Å; F224-L247 HydrophobicContact CD2-CB 4.28Å; F224-L247 HydrophobicContact CD2-CD1 4.11Å; F224-L247 HydrophobicContact CE1-CD1 3.83Å; F224-L247 HydrophobicContact CE1-CD2 3.81Å; F224-L247 HydrophobicContact CE1-CG 4.4Å; F224-L247 HydrophobicContact CE2-CB 4.35Å; F224-L247 HydrophobicContact CE2-CD1 4.42Å; F224-L247 HydrophobicContact CE2-CD2 4.16Å; F224-L247 HydrophobicContact CG-CD1 3.61Å; F224-L247 HydrophobicContact CZ-CD1 4.3Å; F224-L247 HydrophobicContact CZ-CD2 3.72Å; F224-L247 HydrophobicContact CZ-CG 4.47Å; R243-L247 WeakPolarHBondContact O-CD1 3.4Å; R243-L247 VanDerWaalsContact O-CG 3.26Å; R243-L247 WeakPolarHBondContact O-CG 3.43Å; R243-L247 PolarHBondContact O-N 2.86Å; V244-L247 WeakPolarHBondContact O-CB 3.34Å; V244-L247 PolarHBondContact O-N 3.37Å; V244-L247 VanDerWaalsContact O-N 3.07Å; F245-L247 PolarHBondContact O-N 2.7Å; F245-L247 VanDerWaalsContact O-N 3.14Å |
| 248 | Y | 86.9 | Confident | 85.5 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -91.8 | -34.5 | 178 | -65.4 | -72 | 0 | 0 | 0 | 112.8 | V145 V244 F245 T250 E260 F264 D267 M305 | V145-Y248 HydrophobicContact CG2-CD1 3.85Å; V244-Y248 HydrophobicContact CG1-CD2 3.86Å; V244-Y248 HydrophobicContact CG1-CE2 3.57Å; V244-Y248 VanDerWaalsContact O-CD2 3.25Å; V244-Y248 WeakPolarHBondContact O-CD2 3.36Å; V244-Y248 PolarHBondContact O-N 3.33Å; F245-Y248 PolarHBondContact O-N 3.46Å; F245-Y248 VanDerWaalsContact O-N 3.14Å; Y248-T250 PolarHBondContact O-N 3.5Å; Y248-E260 VanDerWaalsContact O-CB 3.25Å; Y248-E260 WeakPolarHBondContact O-CB 3.08Å; Y248-E260 WeakPolarHBondContact O-CG 3.2Å; Y248-F264 HydrophobicContact CD1-CB 3.93Å; Y248-F264 HydrophobicContact CD2-CB 4.19Å; Y248-F264 AromaticContact CD2-CD2 3.98Å; Y248-F264 HydrophobicContact CD2-CD2 3.98Å; Y248-F264 HydrophobicContact CE1-CB 4.09Å; Y248-F264 HydrophobicContact CE2-CB 4.32Å; Y248-F264 AromaticContact CE2-CD2 3.66Å; Y248-F264 HydrophobicContact CE2-CD2 3.66Å; Y248-F264 HydrophobicContact CE2-CG 4.47Å; Y248-F264 HydrophobicContact CG-CB 4.01Å; Y248-D267 WeakPolarHBondContact OH-CB 3.44Å; Y248-D267 PolarHBondContact OH-OD2 2.9Å; Y248-M305 HydrophobicContact CD2-CE 4.29Å |
| 249 | D | 89.4 | Confident | 86.1 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | trans | -71.9 | 74.2 | 171.9 | -180 | 16.1 | 0 | 0 | 0 | 109.9 | F245 K252 N253 G254 I256 | F245-D249 HydrophobicContact CD1-CB 3.94Å; F245-D249 HydrophobicContact CE1-CB 3.71Å; F245-D249 WeakPolarHBondContact CE1-OD2 3.41Å; F245-D249 HydrophobicContact CZ-CB 4.48Å; F245-D249 VanDerWaalsContact O-CB 3.32Å; F245-D249 WeakPolarHBondContact O-CB 3.41Å; F245-D249 PolarHBondContact O-N 3.22Å; D249-K252 PolarHBondContact O-N 2.91Å; D249-K252 WeakPolarHBondContact OD1-CA 3.32Å; D249-K252 PolarHBondContact OD1-N 3.18Å; D249-N253 PolarHBondContact OD1-N 3.41Å; D249-G254 WeakPolarHBondContact OD2-CA 3.27Å; D249-G254 PolarHBondContact OD2-N 3.05Å; D249-G254 VanDerWaalsContact OD2-N 3.08Å; D249-I256 HydrophobicContact CB-CG1 4.45Å | ||
| 250 | T | 85.9 | Confident | 86.5 | Confident | 63 Ų | 63 | 48.6 Ų | 48.6 | 39% | 0.387 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -73 | -32.8 | -174.8 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | V145 Y248 E260 | V145-T250 HydrophobicContact CB-CG2 4.27Å; V145-T250 HydrophobicContact CG1-CG2 4.16Å; V145-T250 HydrophobicContact CG2-CG2 4.28Å; Y248-T250 PolarHBondContact O-N 3.5Å; T250-E260 WeakPolarHBondContact CA-OE1 3.48Å; T250-E260 WeakPolarHBondContact CB-OE1 3.49Å; T250-E260 PolarHBondContact N-OE1 2.74Å; T250-E260 PolarHBondContact OG1-OE1 3.45Å |
| 251 | D | 88.3 | Confident | 87 | Confident | 93 Ų | 93 | 48 Ų | 48 | 50% | 0.497 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -84.8 | -11.4 | 177.1 | 78.9 | -0.6 | 0 | 0 | 0 | 113.4 | N253 E260 | D251-N253 VanDerWaalsContact C-N 3.26Å; D251-N253 VanDerWaalsContact CG-ND2 3.29Å; D251-N253 PolarHBondContact O-N 2.99Å; D251-N253 WeakPolarHBondContact OD1-CB 3.4Å; D251-N253 PolarHBondContact OD1-N 3.34Å; D251-N253 PolarHBondContact OD1-ND2 3.24Å; D251-N253 PolarHBondContact OD2-ND2 2.98Å; D251-E260 PolarHBondContact N-OE1 3.11Å; D251-E260 VanDerWaalsContact N-OE1 3.07Å |
| 252 | K | 88.1 | Confident | 87.4 | Confident | 174 Ų | 174 | 49.3 Ų | 49.3 | 76% | 0.757 | 26% | 0.263 | S | S | * | . | trans | 62.7 | 31.8 | 178.7 | -54.7 | -178.5 | -179.5 | -179.9 | 0 | 112.7 | D249 | D249-K252 PolarHBondContact O-N 2.91Å; D249-K252 WeakPolarHBondContact OD1-CA 3.32Å; D249-K252 PolarHBondContact OD1-N 3.18Å | ||
| 253 | N | 89 | Confident | 87.6 | Confident | 72 Ų | 72 | 46.4 Ų | 46.4 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -78.8 | -10.5 | 176.7 | 77.9 | 30.3 | 0 | 0 | 0 | 112.1 | D249 D251 A255 E257 | D249-N253 PolarHBondContact OD1-N 3.41Å; D251-N253 VanDerWaalsContact C-N 3.26Å; D251-N253 VanDerWaalsContact CG-ND2 3.29Å; D251-N253 PolarHBondContact O-N 2.99Å; D251-N253 WeakPolarHBondContact OD1-CB 3.4Å; D251-N253 PolarHBondContact OD1-N 3.34Å; D251-N253 PolarHBondContact OD1-ND2 3.24Å; D251-N253 PolarHBondContact OD2-ND2 2.98Å; N253-A255 WeakPolarHBondContact OD1-CA 2.92Å; N253-A255 WeakPolarHBondContact OD1-CB 3.25Å; N253-A255 PolarHBondContact OD1-N 2.97Å; N253-A255 PolarHBondContact OD1-O 2.77Å; N253-E257 PolarHBondContact ND2-OE1 3.32Å |
| 254 | G | 87.3 | Confident | 87.8 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 86.6 | 10.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F245 D249 | F245-G254 WeakPolarHBondContact CZ-O 3.38Å; D249-G254 WeakPolarHBondContact OD2-CA 3.27Å; D249-G254 PolarHBondContact OD2-N 3.05Å; D249-G254 VanDerWaalsContact OD2-N 3.08Å |
| 255 | A | 89.9 | Confident | 88.1 | Confident | 13 Ų | 13 | 40 Ų | 40 | 11% | 0.107 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 131 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110 | N253 E257 K299 | N253-A255 WeakPolarHBondContact OD1-CA 2.92Å; N253-A255 WeakPolarHBondContact OD1-CB 3.25Å; N253-A255 PolarHBondContact OD1-N 2.97Å; N253-A255 PolarHBondContact OD1-O 2.77Å; A255-E257 PolarHBondContact O-N 3.05Å; A255-K299 HydrophobicContact CB-CB 4.03Å; A255-K299 HydrophobicContact CB-CD 3.81Å |
| 256 | I | 89 | Confident | 88.2 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 112.3 | 174.8 | -65.8 | 170.5 | 0 | 0 | 0 | 107.9 | F245 D249 E260 L261 I300 M305 | F245-I256 HydrophobicContact CD2-CD1 3.56Å; F245-I256 HydrophobicContact CD2-CG1 4.04Å; F245-I256 HydrophobicContact CE2-CD1 3.67Å; F245-I256 HydrophobicContact CE2-CG1 3.66Å; F245-I256 HydrophobicContact CG-CD1 4.18Å; F245-I256 HydrophobicContact CZ-CD1 4.38Å; F245-I256 HydrophobicContact CZ-CG1 3.94Å; D249-I256 HydrophobicContact CB-CG1 4.45Å; I256-E260 HydrophobicContact CG2-CB 3.95Å; I256-L261 VanDerWaalsContact CG2-CA 3.49Å; I256-L261 HydrophobicContact CG2-CB 3.95Å; I256-L261 HydrophobicContact CG2-CD1 4.29Å; I256-I300 HydrophobicContact CB-CB 4.4Å; I256-I300 PolarHBondContact N-O 3.39Å; I256-I300 PolarHBondContact O-N 3.43Å; I256-M305 HydrophobicContact CD1-CE 4.06Å; I256-M305 HydrophobicContact CD1-SD 3.65Å |
| 257 | E | 89.4 | Confident | 88.2 | Confident | 43 Ų | 43 | 36.5 Ų | 36.5 | 20% | 0.201 | 20% | 0.196 | C | C | . | . | trans | -134.9 | 167.3 | 179.9 | 70.3 | -179 | 143.8 | 0 | 0 | 112.9 | N253 A255 L259 E260 L261 K299 | N253-E257 PolarHBondContact ND2-OE1 3.32Å; A255-E257 PolarHBondContact O-N 3.05Å; E257-L259 PolarHBondContact O-N 3.45Å; E257-E260 WeakPolarHBondContact O-CA 3.18Å; E257-E260 VanDerWaalsContact O-CB 3.26Å; E257-E260 WeakPolarHBondContact O-CB 3.16Å; E257-E260 PolarHBondContact O-N 3.21Å; E257-L261 PolarHBondContact O-N 2.95Å; E257-K299 HydrophobicContact CB-CB 4.15Å; E257-K299 HydrophobicContact CB-CD 4.12Å; E257-K299 HydrophobicContact CB-CG 3.88Å; E257-K299 HydrophobicContact CG-CD 4.45Å; E257-K299 IonicContact OE1-NZ 3.65Å; E257-K299 PolarHBondContact OE1-NZ 2.9Å; E257-K299 VanDerWaalsContact OE2-CD 3.24Å; E257-K299 WeakPolarHBondContact OE2-CD 3.12Å; E257-K299 WeakPolarHBondContact OE2-CE 3.49Å; E257-K299 IonicContact OE2-NZ 3.29Å; E257-K299 PolarHBondContact OE2-NZ 3.32Å | ||
| 258 | D | 88.4 | Confident | 88.1 | Confident | 92 Ų | 92 | 34.9 Ų | 34.9 | 49% | 0.492 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | 43.1 | -123.4 | 175.3 | -61.3 | -29.9 | 0 | 0 | 0 | 113.1 | E260 L261 Y262 R285 | D258-E260 PolarHBondContact O-N 3.48Å; D258-L261 WeakPolarHBondContact O-CA 3.25Å; D258-L261 WeakPolarHBondContact O-CB 3.26Å; D258-L261 PolarHBondContact O-N 2.9Å; D258-Y262 WeakPolarHBondContact O-CD2 3.33Å; D258-Y262 PolarHBondContact O-N 2.83Å; D258-R285 IonicContact OD1-NH2 2.64Å |
| 259 | L | 89.1 | Confident | 88 | Confident | 54 Ų | 54 | 35.6 Ų | 35.6 | 28% | 0.283 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.8 | -27.3 | -175.8 | -61.3 | -179.7 | 0 | 0 | 0 | 113.6 | K149 R152 E257 Y262 G263 | K149-L259 HydrophobicContact CB-CD1 4.46Å; K149-L259 HydrophobicContact CG-CD1 3.58Å; R152-L259 HydrophobicContact CG-CD2 3.79Å; E257-L259 PolarHBondContact O-N 3.45Å; L259-Y262 PolarHBondContact O-N 3.2Å; L259-G263 PolarHBondContact O-N 3.23Å |
| 260 | E | 90.6 | Very high | 87.6 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.8 | -43.2 | 175.5 | -56.9 | -178.6 | 147.7 | 0 | 0 | 110.2 | V145 Y248 T250 D251 I256 E257 D258 G263 F264 | V145-E260 HydrophobicContact CG1-CG 4.1Å; Y248-E260 VanDerWaalsContact O-CB 3.25Å; Y248-E260 WeakPolarHBondContact O-CB 3.08Å; Y248-E260 WeakPolarHBondContact O-CG 3.2Å; T250-E260 WeakPolarHBondContact CA-OE1 3.48Å; T250-E260 WeakPolarHBondContact CB-OE1 3.49Å; T250-E260 PolarHBondContact N-OE1 2.74Å; T250-E260 PolarHBondContact OG1-OE1 3.45Å; D251-E260 PolarHBondContact N-OE1 3.11Å; D251-E260 VanDerWaalsContact N-OE1 3.07Å; I256-E260 HydrophobicContact CG2-CB 3.95Å; E257-E260 WeakPolarHBondContact O-CA 3.18Å; E257-E260 VanDerWaalsContact O-CB 3.26Å; E257-E260 WeakPolarHBondContact O-CB 3.16Å; E257-E260 PolarHBondContact O-N 3.21Å; D258-E260 PolarHBondContact O-N 3.48Å; E260-G263 PolarHBondContact O-N 2.87Å; E260-F264 PolarHBondContact O-N 3.5Å |
| 261 | L | 89.4 | Confident | 87.2 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.9 | -45.7 | 173.1 | -177.6 | 58.1 | 0 | 0 | 0 | 110.8 | I256 E257 D258 G263 F264 L265 R285 L289 I300 | I256-L261 VanDerWaalsContact CG2-CA 3.49Å; I256-L261 HydrophobicContact CG2-CB 3.95Å; I256-L261 HydrophobicContact CG2-CD1 4.29Å; E257-L261 PolarHBondContact O-N 2.95Å; D258-L261 WeakPolarHBondContact O-CA 3.25Å; D258-L261 WeakPolarHBondContact O-CB 3.26Å; D258-L261 PolarHBondContact O-N 2.9Å; L261-G263 VanDerWaalsContact C-N 3.29Å; L261-G263 PolarHBondContact O-N 3.35Å; L261-F264 HydrophobicContact CD1-CD1 4.29Å; L261-F264 PolarHBondContact O-N 2.87Å; L261-L265 HydrophobicContact CD1-CD1 4.11Å; L261-L265 HydrophobicContact CD1-CD2 4.46Å; L261-L265 HydrophobicContact CD1-CG 4.04Å; L261-L265 HydrophobicContact CG-CD1 3.84Å; L261-L265 HydrophobicContact CG-CG 4.25Å; L261-L265 WeakPolarHBondContact O-CB 3.43Å; L261-L265 WeakPolarHBondContact O-CG 3.43Å; L261-L265 PolarHBondContact O-N 3.15Å; L261-R285 HydrophobicContact CD2-CG 3.99Å; L261-L289 HydrophobicContact CD2-CD1 4.28Å; L261-L289 HydrophobicContact CD2-CD2 4.08Å; L261-L289 HydrophobicContact CD2-CG 4.31Å; L261-I300 HydrophobicContact CD1-CD1 3.56Å; L261-I300 HydrophobicContact CD1-CG1 4.05Å |
| 262 | Y | 90.3 | Very high | 86.6 | Confident | 29 Ų | 29 | 37.9 Ų | 37.9 | 11% | 0.114 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58 | -42 | 175.3 | -82.2 | -94.1 | 0 | 0 | 0 | 111.4 | M148 R152 D258 L259 L265 K266 L281 D282 | M148-Y262 HydrophobicContact CE-CD1 3.94Å; M148-Y262 HydrophobicContact CE-CG 4.29Å; R152-Y262 VanDerWaalsContact NH2-CE1 3.32Å; D258-Y262 WeakPolarHBondContact O-CD2 3.33Å; D258-Y262 PolarHBondContact O-N 2.83Å; L259-Y262 PolarHBondContact O-N 3.2Å; Y262-L265 PolarHBondContact O-N 3.34Å; Y262-K266 WeakPolarHBondContact O-CB 3.37Å; Y262-K266 PolarHBondContact O-N 2.66Å; Y262-L281 HydrophobicContact CD1-CD2 3.05Å; Y262-L281 HydrophobicContact CD1-CG 4.46Å; Y262-L281 HydrophobicContact CE1-CD2 3.69Å; Y262-L281 HydrophobicContact CG-CD2 3.87Å; Y262-D282 VanDerWaalsContact CE1-OD1 3.25Å; Y262-D282 WeakPolarHBondContact CE1-OD1 3.16Å; Y262-D282 VanDerWaalsContact CZ-OD1 3.32Å; Y262-D282 PolarHBondContact OH-OD1 2.86Å |
| 263 | G | 88 | Confident | 86.2 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | S144 L259 E260 L261 D267 | S144-G263 WeakPolarHBondContact CB-O 3.32Å; L259-G263 PolarHBondContact O-N 3.23Å; E260-G263 PolarHBondContact O-N 2.87Å; L261-G263 VanDerWaalsContact C-N 3.29Å; L261-G263 PolarHBondContact O-N 3.35Å; G263-D267 PolarHBondContact O-N 2.74Å |
| 264 | F | 87.4 | Confident | 85.7 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 173.8 | 170.2 | -111.1 | 0 | 0 | 0 | 112.1 | L225 Y248 E260 L261 K266 D267 L268 I288 M305 L308 | L225-F264 HydrophobicContact CD1-CD2 4.12Å; L225-F264 HydrophobicContact CD1-CE2 3.85Å; L225-F264 HydrophobicContact CD2-CE2 4.27Å; Y248-F264 HydrophobicContact CD1-CB 3.93Å; Y248-F264 HydrophobicContact CD2-CB 4.19Å; Y248-F264 AromaticContact CD2-CD2 3.98Å; Y248-F264 HydrophobicContact CD2-CD2 3.98Å; Y248-F264 HydrophobicContact CE1-CB 4.09Å; Y248-F264 HydrophobicContact CE2-CB 4.32Å; Y248-F264 AromaticContact CE2-CD2 3.66Å; Y248-F264 HydrophobicContact CE2-CD2 3.66Å; Y248-F264 HydrophobicContact CE2-CG 4.47Å; Y248-F264 HydrophobicContact CG-CB 4.01Å; E260-F264 PolarHBondContact O-N 3.5Å; L261-F264 HydrophobicContact CD1-CD1 4.29Å; L261-F264 PolarHBondContact O-N 2.87Å; F264-K266 PolarHBondContact O-N 3.02Å; F264-D267 PolarHBondContact O-N 3.33Å; F264-L268 HydrophobicContact CE1-CD2 4.36Å; F264-L268 HydrophobicContact CZ-CD2 4.35Å; F264-L268 WeakPolarHBondContact O-CB 3.43Å; F264-L268 PolarHBondContact O-N 3.47Å; F264-I288 HydrophobicContact CE1-CD1 4.42Å; F264-M305 HydrophobicContact CD2-CE 3.61Å; F264-M305 HydrophobicContact CE2-CE 3.37Å; F264-M305 HydrophobicContact CG-CE 4.31Å; F264-M305 HydrophobicContact CZ-CE 3.9Å; F264-L308 HydrophobicContact CE1-CD2 3.7Å; F264-L308 HydrophobicContact CZ-CD2 3.66Å |
| 265 | L | 87.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.1 | -37.3 | -179.5 | -68.1 | 172.6 | 0 | 0 | 0 | 112.3 | L261 Y262 L268 L269 L281 T284 R285 I288 | L261-L265 HydrophobicContact CD1-CD1 4.11Å; L261-L265 HydrophobicContact CD1-CD2 4.46Å; L261-L265 HydrophobicContact CD1-CG 4.04Å; L261-L265 HydrophobicContact CG-CD1 3.84Å; L261-L265 HydrophobicContact CG-CG 4.25Å; L261-L265 WeakPolarHBondContact O-CB 3.43Å; L261-L265 WeakPolarHBondContact O-CG 3.43Å; L261-L265 PolarHBondContact O-N 3.15Å; Y262-L265 PolarHBondContact O-N 3.34Å; L265-L268 PolarHBondContact O-N 3.24Å; L265-L269 WeakPolarHBondContact O-CB 3.37Å; L265-L269 PolarHBondContact O-N 3.37Å; L265-L281 HydrophobicContact CB-CD2 4.23Å; L265-L281 HydrophobicContact CB-CG 4.14Å; L265-T284 HydrophobicContact CD2-CG2 3.95Å; L265-R285 VanDerWaalsContact CD1-CA 3.44Å; L265-R285 HydrophobicContact CD1-CB 3.44Å; L265-R285 VanDerWaalsContact CD1-CB 3.44Å; L265-R285 HydrophobicContact CD1-CG 4Å; L265-I288 HydrophobicContact CD2-CB 4.43Å; L265-I288 HydrophobicContact CD2-CD1 3.55Å; L265-I288 HydrophobicContact CD2-CG1 4.13Å |
| 266 | K | 88.5 | Confident | 85.5 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57 | -53.3 | 172.4 | 177.2 | -167.7 | 164.9 | -68.3 | 0 | 110.4 | S144 F147 M148 L211 Y262 F264 L268 L269 E270 F276 L281 | S144-K266 PolarHBondContact OG-NZ 3.16Å; F147-K266 HydrophobicContact CD1-CD 3.53Å; F147-K266 HydrophobicContact CE1-CD 3.89Å; F147-K266 HydrophobicContact CG-CD 4.28Å; M148-K266 HydrophobicContact SD-CB 4.47Å; M148-K266 HydrophobicContact SD-CD 4.35Å; L211-K266 HydrophobicContact CD2-CD 4.4Å; L211-K266 HydrophobicContact CD2-CG 4.09Å; Y262-K266 WeakPolarHBondContact O-CB 3.37Å; Y262-K266 PolarHBondContact O-N 2.66Å; F264-K266 PolarHBondContact O-N 3.02Å; K266-L268 PolarHBondContact O-N 2.98Å; K266-L269 PolarHBondContact O-N 3.32Å; K266-E270 IonicContact NZ-OE2 2.98Å; K266-E270 PolarHBondContact NZ-OE2 2.9Å; K266-E270 VanDerWaalsContact O-CB 3.31Å; K266-E270 WeakPolarHBondContact O-CB 3.3Å; K266-E270 PolarHBondContact O-N 2.87Å; K266-F276 HydrophobicContact CG-CE2 4.23Å; K266-F276 HydrophobicContact CG-CZ 4.24Å; K266-L281 HydrophobicContact CB-CD1 3.86Å |
| 267 | D | 85.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -35.6 | -179.1 | -78.8 | -10.2 | 0 | 0 | 0 | 111.8 | S144 N223 L225 Y248 G263 F264 L271 | S144-D267 VanDerWaalsContact CB-OD1 3.26Å; S144-D267 WeakPolarHBondContact CB-OD1 3.28Å; S144-D267 WeakPolarHBondContact CB-OD2 3.33Å; S144-D267 VanDerWaalsContact OG-CG 3.24Å; S144-D267 PolarHBondContact OG-OD1 3.03Å; S144-D267 PolarHBondContact OG-OD2 2.93Å; N223-D267 PolarHBondContact ND2-O 3.15Å; N223-D267 WeakPolarHBondContact OD1-CB 3.49Å; L225-D267 HydrophobicContact CD1-CB 3.84Å; L225-D267 HydrophobicContact CG-CB 4.19Å; Y248-D267 WeakPolarHBondContact OH-CB 3.44Å; Y248-D267 PolarHBondContact OH-OD2 2.9Å; G263-D267 PolarHBondContact O-N 2.74Å; F264-D267 PolarHBondContact O-N 3.33Å; D267-L271 WeakPolarHBondContact O-CG 3.25Å; D267-L271 PolarHBondContact O-N 3.48Å |
| 268 | L | 82.1 | Confident | 85.5 | Confident | 29 Ų | 29 | 39.3 Ų | 39.3 | 15% | 0.152 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.2 | -40.3 | 176.8 | -174.3 | 66.4 | 0 | 0 | 0 | 112.5 | L225 F264 L265 K266 L271 I288 | L225-L268 HydrophobicContact CD1-CB 4.05Å; L225-L268 HydrophobicContact CD1-CD1 4.33Å; F264-L268 HydrophobicContact CE1-CD2 4.36Å; F264-L268 HydrophobicContact CZ-CD2 4.35Å; F264-L268 WeakPolarHBondContact O-CB 3.43Å; F264-L268 PolarHBondContact O-N 3.47Å; L265-L268 PolarHBondContact O-N 3.24Å; K266-L268 PolarHBondContact O-N 2.98Å; L268-L271 WeakPolarHBondContact O-CB 3.23Å; L268-L271 PolarHBondContact O-N 3.05Å; L268-I288 HydrophobicContact CD2-CD1 3.6Å |
| 269 | L | 83.5 | Confident | 85.6 | Confident | 17 Ų | 17 | 36.4 Ų | 36.4 | 9% | 0.089 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.7 | -42.5 | 177.1 | -87.5 | 168.1 | 0 | 0 | 0 | 111.7 | L265 K266 L271 V272 E273 F276 D280 L281 T284 | L265-L269 WeakPolarHBondContact O-CB 3.37Å; L265-L269 PolarHBondContact O-N 3.37Å; K266-L269 PolarHBondContact O-N 3.32Å; L269-L271 PolarHBondContact O-N 3.21Å; L269-L271 VanDerWaalsContact O-N 3.1Å; L269-V272 PolarHBondContact O-N 3.35Å; L269-E273 PolarHBondContact O-N 2.96Å; L269-F276 HydrophobicContact CB-CD2 4.21Å; L269-F276 HydrophobicContact CB-CE2 4.22Å; L269-F276 HydrophobicContact CB-CG 4.39Å; L269-F276 HydrophobicContact CB-CZ 4.47Å; L269-F276 HydrophobicContact CD1-CD2 4.26Å; L269-D280 HydrophobicContact CD1-CB 4.46Å; L269-L281 HydrophobicContact CD1-CB 4.13Å; L269-L281 HydrophobicContact CD1-CD1 3.81Å; L269-L281 HydrophobicContact CD1-CG 3.95Å; L269-T284 HydrophobicContact CG-CG2 4.34Å |
| 270 | E | 82.4 | Confident | 85.6 | Confident | 72 Ų | 72 | 35.6 Ų | 35.6 | 34% | 0.336 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.9 | -20.6 | 177.7 | -168.2 | 176.8 | 164.2 | 0 | 0 | 112.8 | K266 F276 | K266-E270 IonicContact NZ-OE2 2.98Å; K266-E270 PolarHBondContact NZ-OE2 2.9Å; K266-E270 VanDerWaalsContact O-CB 3.31Å; K266-E270 WeakPolarHBondContact O-CB 3.3Å; K266-E270 PolarHBondContact O-N 2.87Å; E270-F276 HydrophobicContact CB-CE1 4.04Å; E270-F276 HydrophobicContact CB-CZ 4.05Å; E270-F276 HydrophobicContact CG-CE1 4.42Å |
| 271 | L | 77.2 | Confident | 85.5 | Confident | 65 Ų | 65 | 35.1 Ų | 35.1 | 34% | 0.34 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -23.2 | 171.5 | -75.1 | 175.8 | 0 | 0 | 0 | 114.1 | L225 C226 D267 L268 L269 | L225-L271 HydrophobicContact CB-CD1 3.51Å; L225-L271 HydrophobicContact CB-CG 4.38Å; L225-L271 HydrophobicContact CD1-CD1 4.35Å; C226-L271 WeakPolarHBondContact SG-CD2 3.26Å; D267-L271 WeakPolarHBondContact O-CG 3.25Å; D267-L271 PolarHBondContact O-N 3.48Å; L268-L271 WeakPolarHBondContact O-CB 3.23Å; L268-L271 PolarHBondContact O-N 3.05Å; L269-L271 PolarHBondContact O-N 3.21Å; L269-L271 VanDerWaalsContact O-N 3.1Å |
| 272 | V | 75.2 | Confident | 85.5 | Confident | 82 Ų | 82 | 37 Ų | 37 | 50% | 0.497 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -34.3 | -169 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | L269 | L269-V272 PolarHBondContact O-N 3.35Š|
| 273 | E | 79.8 | Confident | 85.4 | Confident | 58 Ų | 58 | 38.4 Ų | 38.4 | 27% | 0.271 | 20% | 0.195 | S | C | . | . | trans | -138 | 131.2 | -175.4 | -165.9 | 153.6 | -139.3 | 0 | 0 | 110.3 | L269 D275 F276 K335 | L269-E273 PolarHBondContact O-N 2.96Å; E273-D275 WeakPolarHBondContact CG-O 3.1Å; E273-F276 WeakPolarHBondContact O-CD1 3.2Å; E273-K335 IonicContact OE1-NZ 3.88Å; E273-K335 PolarHBondContact OE1-NZ 2.98Å | ||
| 274 | E | 78.6 | Confident | 85.3 | Confident | 179 Ų | 179 | 39.8 Ų | 39.8 | 84% | 0.836 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -78.4 | -28.7 | 179.1 | -68.8 | 176.7 | 171.5 | 0 | 0 | 111.8 | S212 | S212-E274 WeakPolarHBondContact CB-O 3.12Š|
| 275 | D | 84.8 | Confident | 85.4 | Confident | 91 Ų | 91 | 42 Ų | 42 | 49% | 0.487 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -121.8 | 99.6 | -172.6 | -169.3 | 7.4 | 0 | 0 | 0 | 110.4 | Q210 E273 | Q210-D275 VanDerWaalsContact CD-OD1 3.29Å; Q210-D275 PolarHBondContact NE2-OD1 2.77Å; Q210-D275 PolarHBondContact OE1-OD1 3.07Å; E273-D275 WeakPolarHBondContact CG-O 3.1Å |
| 276 | F | 88.3 | Confident | 85.4 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | trans | -141.7 | 148.9 | -178.2 | 62.9 | -83 | 0 | 0 | 0 | 112 | L211 S212 K266 L269 E270 E273 D280 L281 | L211-F276 HydrophobicContact CD2-CD2 3.92Å; L211-F276 HydrophobicContact CD2-CE2 3.29Å; L211-F276 HydrophobicContact CD2-CZ 4.16Å; S212-F276 VanDerWaalsContact CB-O 3.3Å; S212-F276 WeakPolarHBondContact CB-O 3.4Å; S212-F276 PolarHBondContact N-O 3.31Å; S212-F276 VanDerWaalsContact N-O 3.15Å; S212-F276 PolarHBondContact OG-O 3.44Å; K266-F276 HydrophobicContact CG-CE2 4.23Å; K266-F276 HydrophobicContact CG-CZ 4.24Å; L269-F276 HydrophobicContact CB-CD2 4.21Å; L269-F276 HydrophobicContact CB-CE2 4.22Å; L269-F276 HydrophobicContact CB-CG 4.39Å; L269-F276 HydrophobicContact CB-CZ 4.47Å; L269-F276 HydrophobicContact CD1-CD2 4.26Å; E270-F276 HydrophobicContact CB-CE1 4.04Å; E270-F276 HydrophobicContact CB-CZ 4.05Å; E270-F276 HydrophobicContact CG-CE1 4.42Å; E273-F276 WeakPolarHBondContact O-CD1 3.2Å; F276-D280 HydrophobicContact CB-CB 4.1Å; F276-L281 HydrophobicContact CD2-CD1 4.37Å; F276-L281 HydrophobicContact CE2-CD1 4.1Å | ||
| 277 | D | 89.7 | Confident | 85.1 | Confident | 30 Ų | 30 | 48.1 Ų | 48.1 | 16% | 0.16 | 25% | 0.25 | C | C | . | . | trans | -110.2 | 177.3 | 178.4 | 69.9 | 34.1 | 0 | 0 | 0 | 112 | Q210 S279 D280 L281 K340 | Q210-D277 HydrophobicContact CB-CB 4.43Å; D277-S279 PolarHBondContact O-N 3.03Å; D277-S279 WeakPolarHBondContact OD1-CA 2.86Å; D277-S279 WeakPolarHBondContact OD1-CB 3.33Å; D277-S279 PolarHBondContact OD1-N 3.47Å; D277-D280 PolarHBondContact N-OD2 3.23Å; D277-D280 WeakPolarHBondContact O-CB 3.28Å; D277-D280 PolarHBondContact O-N 2.91Å; D277-D280 VanDerWaalsContact O-N 3.15Å; D277-D280 PolarHBondContact OD1-N 3.03Å; D277-L281 PolarHBondContact O-N 3.33Å; D277-K340 VanDerWaalsContact CG-NZ 3.26Å; D277-K340 IonicContact OD1-NZ 3.6Å; D277-K340 PolarHBondContact OD1-NZ 3.38Å; D277-K340 IonicContact OD2-NZ 2.58Å; D277-K340 PolarHBondContact OD2-NZ 2.93Å | ||
| 278 | E | 89.2 | Confident | 85 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -32.8 | 177.3 | -175 | 173.4 | 145.5 | 0 | 0 | 112.7 | W151 R152 L211 D280 L281 D282 | W151-E278 PolarHBondContact NE1-OE2 3.16Å; R152-E278 IonicContact CZ-OE1 3.85Å; R152-E278 IonicContact CZ-OE2 3.93Å; R152-E278 IonicContact NH1-OE1 2.77Å; R152-E278 PolarHBondContact NH1-OE1 3.08Å; R152-E278 IonicContact NH1-OE2 2.71Å; R152-E278 IonicContact NH2-OE1 3.95Å; R152-E278 PolarHBondContact NH2-OE1 2.89Å; L211-E278 HydrophobicContact CD1-CB 4.23Å; E278-D280 VanDerWaalsContact C-N 3.28Å; E278-D280 PolarHBondContact O-N 3.07Å; E278-L281 WeakPolarHBondContact O-CA 3.24Å; E278-L281 VanDerWaalsContact O-CB 3.23Å; E278-L281 WeakPolarHBondContact O-CB 3.31Å; E278-L281 PolarHBondContact O-N 2.98Å; E278-L281 VanDerWaalsContact O-N 3.13Å; E278-D282 PolarHBondContact O-N 2.81Å |
| 279 | S | 89.3 | Confident | 85.1 | Confident | 30 Ų | 30 | 48.5 Ų | 48.5 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.5 | -28.1 | 179.2 | -45.5 | 0 | 0 | 0 | 0 | 111.3 | D277 L281 Y283 K340 | D277-S279 PolarHBondContact O-N 3.03Å; D277-S279 WeakPolarHBondContact OD1-CA 2.86Å; D277-S279 WeakPolarHBondContact OD1-CB 3.33Å; D277-S279 PolarHBondContact OD1-N 3.47Å; S279-L281 VanDerWaalsContact C-N 3.26Å; S279-Y283 WeakPolarHBondContact O-CB 3.47Å; S279-Y283 PolarHBondContact O-N 2.96Å; S279-K340 VanDerWaalsContact C-NZ 3.3Å; S279-K340 WeakPolarHBondContact O-CE 3.5Å |
| 280 | D | 90 | Very high | 85.1 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 20% | 0.203 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.5 | -35.7 | 173.4 | -70.4 | -52.6 | 0 | 0 | 0 | 109.7 | L269 F276 D277 E278 Y283 T284 K340 | L269-D280 HydrophobicContact CD1-CB 4.46Å; F276-D280 HydrophobicContact CB-CB 4.1Å; D277-D280 PolarHBondContact N-OD2 3.23Å; D277-D280 WeakPolarHBondContact O-CB 3.28Å; D277-D280 PolarHBondContact O-N 2.91Å; D277-D280 VanDerWaalsContact O-N 3.15Å; D277-D280 PolarHBondContact OD1-N 3.03Å; E278-D280 VanDerWaalsContact C-N 3.28Å; E278-D280 PolarHBondContact O-N 3.07Å; D280-Y283 WeakPolarHBondContact O-CB 3.34Å; D280-Y283 PolarHBondContact O-N 2.7Å; D280-T284 WeakPolarHBondContact O-CB 2.84Å; D280-T284 PolarHBondContact O-N 3.24Å; D280-T284 PolarHBondContact O-OG1 2.81Å; D280-K340 VanDerWaalsContact CG-CE 3.43Å; D280-K340 WeakPolarHBondContact OD1-CE 3.44Å; D280-K340 IonicContact OD1-NZ 2.77Å; D280-K340 PolarHBondContact OD1-NZ 2.94Å; D280-K340 IonicContact OD2-NZ 2.94Å; D280-K340 PolarHBondContact OD2-NZ 3.19Å |
| 281 | L | 88.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.9 | -44.6 | 176.1 | -142.2 | 119.1 | 0 | 0 | 0 | 111.8 | L211 Y262 L265 K266 L269 F276 D277 E278 S279 Y283 T284 R285 | L211-L281 HydrophobicContact CD2-CD1 3.96Å; Y262-L281 HydrophobicContact CD1-CD2 3.05Å; Y262-L281 HydrophobicContact CD1-CG 4.46Å; Y262-L281 HydrophobicContact CE1-CD2 3.69Å; Y262-L281 HydrophobicContact CG-CD2 3.87Å; L265-L281 HydrophobicContact CB-CD2 4.23Å; L265-L281 HydrophobicContact CB-CG 4.14Å; K266-L281 HydrophobicContact CB-CD1 3.86Å; L269-L281 HydrophobicContact CD1-CB 4.13Å; L269-L281 HydrophobicContact CD1-CD1 3.81Å; L269-L281 HydrophobicContact CD1-CG 3.95Å; F276-L281 HydrophobicContact CD2-CD1 4.37Å; F276-L281 HydrophobicContact CE2-CD1 4.1Å; D277-L281 PolarHBondContact O-N 3.33Å; E278-L281 WeakPolarHBondContact O-CA 3.24Å; E278-L281 VanDerWaalsContact O-CB 3.23Å; E278-L281 WeakPolarHBondContact O-CB 3.31Å; E278-L281 PolarHBondContact O-N 2.98Å; E278-L281 VanDerWaalsContact O-N 3.13Å; S279-L281 VanDerWaalsContact C-N 3.26Å; L281-Y283 VanDerWaalsContact C-N 3.31Å; L281-Y283 PolarHBondContact O-N 2.77Å; L281-T284 PolarHBondContact O-N 3.22Å; L281-R285 WeakPolarHBondContact O-CB 3.34Å; L281-R285 PolarHBondContact O-N 3.24Å |
| 282 | D | 89.5 | Confident | 85.1 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 23% | 0.225 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.5 | -39 | 173.6 | -77.4 | -19.5 | 0 | 0 | 0 | 112.3 | Y262 E278 R285 S286 | Y262-D282 VanDerWaalsContact CE1-OD1 3.25Å; Y262-D282 WeakPolarHBondContact CE1-OD1 3.16Å; Y262-D282 VanDerWaalsContact CZ-OD1 3.32Å; Y262-D282 PolarHBondContact OH-OD1 2.86Å; E278-D282 PolarHBondContact O-N 2.81Å; D282-R285 WeakPolarHBondContact O-CB 3.16Å; D282-R285 PolarHBondContact O-N 2.9Å; D282-S286 WeakPolarHBondContact O-CB 3.42Å; D282-S286 PolarHBondContact O-N 3.1Å; D282-S286 PolarHBondContact O-OG 3.23Å |
| 283 | Y | 88.5 | Confident | 85.6 | Confident | 57 Ų | 57 | 51.9 Ų | 51.9 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.7 | -50.8 | 173 | -173.3 | -77.2 | 0 | 0 | 0 | 110.7 | S279 D280 L281 R285 S286 M287 M338 G339 K340 | S279-Y283 WeakPolarHBondContact O-CB 3.47Å; S279-Y283 PolarHBondContact O-N 2.96Å; D280-Y283 WeakPolarHBondContact O-CB 3.34Å; D280-Y283 PolarHBondContact O-N 2.7Å; L281-Y283 VanDerWaalsContact C-N 3.31Å; L281-Y283 PolarHBondContact O-N 2.77Å; Y283-R285 VanDerWaalsContact C-N 3.31Å; Y283-R285 PolarHBondContact O-N 3.07Å; Y283-S286 WeakPolarHBondContact O-CB 3.4Å; Y283-S286 PolarHBondContact O-N 3.19Å; Y283-M287 HydrophobicContact CE1-CB 4.03Å; Y283-M287 PolarHBondContact O-N 3.26Å; Y283-M338 HydrophobicContact CD1-CB 3.59Å; Y283-M338 HydrophobicContact CD1-CG 4.15Å; Y283-M338 HydrophobicContact CE1-CB 3.06Å; Y283-M338 HydrophobicContact CE1-CG 3.24Å; Y283-M338 HydrophobicContact CE1-SD 3.76Å; Y283-M338 HydrophobicContact CE2-CB 4.16Å; Y283-M338 HydrophobicContact CG-CB 4.41Å; Y283-M338 VanDerWaalsContact CZ-SD 3.58Å; Y283-M338 WeakPolarHBondContact OH-CG 3.41Å; Y283-M338 PolarHBondContact OH-SD 3.25Å; Y283-G339 WeakPolarHBondContact CE2-O 3.38Å; Y283-K340 HydrophobicContact CD2-CG 4.09Å; Y283-K340 HydrophobicContact CG-CG 4.47Å |
| 284 | T | 85.5 | Confident | 85.7 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | -177.5 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | L265 L269 D280 L281 S286 M287 I288 | L265-T284 HydrophobicContact CD2-CG2 3.95Å; L269-T284 HydrophobicContact CG-CG2 4.34Å; D280-T284 WeakPolarHBondContact O-CB 2.84Å; D280-T284 PolarHBondContact O-N 3.24Å; D280-T284 PolarHBondContact O-OG1 2.81Å; L281-T284 PolarHBondContact O-N 3.22Å; T284-S286 PolarHBondContact O-N 3.19Å; T284-M287 PolarHBondContact O-N 3.45Å; T284-I288 HydrophobicContact CG2-CD1 4.43Å; T284-I288 HydrophobicContact CG2-CG1 4.38Å; T284-I288 WeakPolarHBondContact O-CG1 3.46Å; T284-I288 PolarHBondContact O-N 2.89Å |
| 285 | R | 88.8 | Confident | 86 | Confident | 47 Ų | 47 | 50.6 Ų | 50.6 | 18% | 0.177 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.3 | -53.8 | 171 | -178.3 | -176.1 | 170.2 | 118.5 | -0.8 | 111 | D258 L261 L265 L281 D282 Y283 M287 I288 L289 | D258-R285 IonicContact OD1-NH2 2.64Å; L261-R285 HydrophobicContact CD2-CG 3.99Å; L265-R285 VanDerWaalsContact CD1-CA 3.44Å; L265-R285 HydrophobicContact CD1-CB 3.44Å; L265-R285 VanDerWaalsContact CD1-CB 3.44Å; L265-R285 HydrophobicContact CD1-CG 4Å; L281-R285 WeakPolarHBondContact O-CB 3.34Å; L281-R285 PolarHBondContact O-N 3.24Å; D282-R285 WeakPolarHBondContact O-CB 3.16Å; D282-R285 PolarHBondContact O-N 2.9Å; Y283-R285 VanDerWaalsContact C-N 3.31Å; Y283-R285 PolarHBondContact O-N 3.07Å; R285-M287 VanDerWaalsContact C-N 3.29Å; R285-M287 PolarHBondContact O-N 3.33Å; R285-I288 PolarHBondContact O-N 2.61Å; R285-L289 HydrophobicContact CG-CD1 3.89Å; R285-L289 HydrophobicContact CG-CG 4.46Å; R285-L289 WeakPolarHBondContact O-CB 3.48Å; R285-L289 WeakPolarHBondContact O-CG 3.18Å; R285-L289 PolarHBondContact O-N 3.42Å |
| 286 | S | 87.4 | Confident | 85.9 | Confident | 75 Ų | 75 | 52.8 Ų | 52.8 | 52% | 0.524 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | -178.5 | -58 | 0 | 0 | 0 | 0 | 111.3 | D282 Y283 T284 Q290 | D282-S286 WeakPolarHBondContact O-CB 3.42Å; D282-S286 PolarHBondContact O-N 3.1Å; D282-S286 PolarHBondContact O-OG 3.23Å; Y283-S286 WeakPolarHBondContact O-CB 3.4Å; Y283-S286 PolarHBondContact O-N 3.19Å; T284-S286 PolarHBondContact O-N 3.19Å; S286-Q290 WeakPolarHBondContact O-CB 3.49Å; S286-Q290 PolarHBondContact O-N 3.08Å |
| 287 | M | 83.9 | Confident | 85.9 | Confident | 56 Ų | 56 | 56.4 Ų | 56.4 | 28% | 0.276 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 177.7 | -172.9 | 64.6 | -175.4 | 0 | 0 | 112.2 | Y283 T284 R285 N291 M338 | Y283-M287 HydrophobicContact CE1-CB 4.03Å; Y283-M287 PolarHBondContact O-N 3.26Å; T284-M287 PolarHBondContact O-N 3.45Å; R285-M287 VanDerWaalsContact C-N 3.29Å; R285-M287 PolarHBondContact O-N 3.33Å; M287-N291 WeakPolarHBondContact CE-ND2 3.5Å; M287-N291 PolarHBondContact O-N 3.16Å; M287-N291 PolarHBondContact O-ND2 3.13Å; M287-N291 PolarHBondContact SD-ND2 3.44Å; M287-M338 HydrophobicContact CE-CE 3.11Å; M287-M338 HydrophobicContact CG-CE 3.98Å; M287-M338 HydrophobicContact SD-CE 3.28Å; M287-M338 WeakPolarHBondContact SD-CE 3.23Å; M287-M338 HydrophobicContact SD-SD 4.44Å |
| 288 | I | 82 | Confident | 85.6 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.3 | -48.9 | 179.8 | -68.8 | -158.9 | 0 | 0 | 0 | 110.5 | F264 L265 L268 T284 R285 Q290 N291 W292 I300 L308 | F264-I288 HydrophobicContact CE1-CD1 4.42Å; L265-I288 HydrophobicContact CD2-CB 4.43Å; L265-I288 HydrophobicContact CD2-CD1 3.55Å; L265-I288 HydrophobicContact CD2-CG1 4.13Å; L268-I288 HydrophobicContact CD2-CD1 3.6Å; T284-I288 HydrophobicContact CG2-CD1 4.43Å; T284-I288 HydrophobicContact CG2-CG1 4.38Å; T284-I288 WeakPolarHBondContact O-CG1 3.46Å; T284-I288 PolarHBondContact O-N 2.89Å; R285-I288 PolarHBondContact O-N 2.61Å; I288-Q290 VanDerWaalsContact C-N 3.34Å; I288-Q290 PolarHBondContact O-N 3.05Å; I288-N291 PolarHBondContact O-N 3.27Å; I288-N291 VanDerWaalsContact O-N 3.17Å; I288-W292 HydrophobicContact CG2-CB 4.34Å; I288-W292 HydrophobicContact CG2-CG 4.49Å; I288-W292 WeakPolarHBondContact O-CB 3.41Å; I288-W292 PolarHBondContact O-N 2.83Å; I288-I300 HydrophobicContact CG2-CD1 3.45Å; I288-I300 VanDerWaalsContact CG2-CD1 3.45Å; I288-L308 HydrophobicContact CD1-CD1 4.28Å; I288-L308 HydrophobicContact CD1-CD2 4.29Å; I288-L308 HydrophobicContact CG2-CD1 4.45Å; I288-L308 HydrophobicContact CG2-CD2 4.5Å |
| 289 | L | 84.7 | Confident | 85.6 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 178 | -67.5 | 175.6 | 0 | 0 | 0 | 110.6 | L261 R285 N291 W292 D293 I300 | L261-L289 HydrophobicContact CD2-CD1 4.28Å; L261-L289 HydrophobicContact CD2-CD2 4.08Å; L261-L289 HydrophobicContact CD2-CG 4.31Å; R285-L289 HydrophobicContact CG-CD1 3.89Å; R285-L289 HydrophobicContact CG-CG 4.46Å; R285-L289 WeakPolarHBondContact O-CB 3.48Å; R285-L289 WeakPolarHBondContact O-CG 3.18Å; R285-L289 PolarHBondContact O-N 3.42Å; L289-N291 PolarHBondContact O-N 3.24Å; L289-N291 VanDerWaalsContact O-N 3.09Å; L289-W292 PolarHBondContact O-N 3.31Å; L289-D293 HydrophobicContact CB-CB 4.23Å; L289-D293 HydrophobicContact CD2-CB 3.91Å; L289-D293 WeakPolarHBondContact O-CB 3.17Å; L289-D293 PolarHBondContact O-N 3.49Å; L289-I300 HydrophobicContact CD2-CG1 4.13Å |
| 290 | Q | 84.5 | Confident | 85.5 | Confident | 157 Ų | 157 | 57.2 Ų | 57.2 | 73% | 0.734 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.3 | -31.6 | 179.6 | -173.6 | 179.3 | 8 | 0 | 0 | 114.4 | S286 I288 | S286-Q290 WeakPolarHBondContact O-CB 3.49Å; S286-Q290 PolarHBondContact O-N 3.08Å; I288-Q290 VanDerWaalsContact C-N 3.34Å; I288-Q290 PolarHBondContact O-N 3.05Å |
| 291 | N | 78.5 | Confident | 85.4 | Confident | 75 Ų | 75 | 56.9 Ų | 56.9 | 40% | 0.401 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -99.8 | -21.2 | -175.5 | -70.2 | -82.7 | 0 | 0 | 0 | 114.2 | M287 I288 L289 | M287-N291 WeakPolarHBondContact CE-ND2 3.5Å; M287-N291 PolarHBondContact O-N 3.16Å; M287-N291 PolarHBondContact O-ND2 3.13Å; M287-N291 PolarHBondContact SD-ND2 3.44Å; I288-N291 PolarHBondContact O-N 3.27Å; I288-N291 VanDerWaalsContact O-N 3.17Å; L289-N291 PolarHBondContact O-N 3.24Å; L289-N291 VanDerWaalsContact O-N 3.09Å |
| 292 | W | 81.2 | Confident | 85.3 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 24% | 0.235 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -129.7 | -18.5 | -167.8 | -58.7 | 96 | 0 | 0 | 0 | 114.4 | I288 L289 F294 E304 M307 L308 A311 | I288-W292 HydrophobicContact CG2-CB 4.34Å; I288-W292 HydrophobicContact CG2-CG 4.49Å; I288-W292 WeakPolarHBondContact O-CB 3.41Å; I288-W292 PolarHBondContact O-N 2.83Å; L289-W292 PolarHBondContact O-N 3.31Å; W292-F294 VanDerWaalsContact O-CD2 3.32Å; W292-F294 WeakPolarHBondContact O-CD2 3.45Å; W292-F294 PolarHBondContact O-N 2.68Å; W292-E304 WeakPolarHBondContact O-CB 3.38Å; W292-E304 VanDerWaalsContact O-CG 3.24Å; W292-E304 WeakPolarHBondContact O-CG 3.37Å; W292-M307 HydrophobicContact CE3-CB 4.02Å; W292-M307 VanDerWaalsContact CZ3-C 3.4Å; W292-M307 HydrophobicContact CZ3-CB 3.89Å; W292-M307 WeakPolarHBondContact CZ3-O 3.22Å; W292-L308 VanDerWaalsContact CD1-CD1 3.46Å; W292-L308 HydrophobicContact CD2-CB 3.99Å; W292-L308 HydrophobicContact CD2-CD1 3.69Å; W292-L308 HydrophobicContact CD2-CG 4.48Å; W292-L308 VanDerWaalsContact CE2-CD1 3.46Å; W292-L308 HydrophobicContact CE3-CB 4.04Å; W292-L308 HydrophobicContact CG-CB 4.33Å; W292-L308 HydrophobicContact CG-CD1 3.7Å; W292-L308 HydrophobicContact CZ2-CD1 4.16Å; W292-L308 VanDerWaalsContact NE1-CD1 3.27Å; W292-A311 HydrophobicContact CH2-CB 3.24Å; W292-A311 HydrophobicContact CZ2-CB 3.97Å; W292-A311 HydrophobicContact CZ3-CB 4.05Å |
| 293 | D | 85.3 | Confident | 85.1 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 6% | 0.064 | 33% | 0.325 | C | S | . | . | trans | -81 | 91 | 168.8 | 174.3 | 6.9 | 0 | 0 | 0 | 108.2 | L289 N295 N296 D297 G298 | L289-D293 HydrophobicContact CB-CB 4.23Å; L289-D293 HydrophobicContact CD2-CB 3.91Å; L289-D293 WeakPolarHBondContact O-CB 3.17Å; L289-D293 PolarHBondContact O-N 3.49Å; D293-N295 PolarHBondContact OD1-N 2.85Å; D293-N295 PolarHBondContact OD1-OD1 2.8Å; D293-N296 WeakPolarHBondContact OD1-CA 3.39Å; D293-N296 PolarHBondContact OD1-N 2.75Å; D293-N296 WeakPolarHBondContact OD2-CA 3.17Å; D293-D297 PolarHBondContact OD1-N 3.21Å; D293-D297 PolarHBondContact OD2-N 2.89Å; D293-G298 VanDerWaalsContact OD2-CA 3.31Å; D293-G298 WeakPolarHBondContact OD2-CA 3.25Å; D293-G298 PolarHBondContact OD2-N 2.74Å | ||
| 294 | F | 81.1 | Confident | 85 | Confident | 126 Ų | 126 | 61.5 Ų | 61.5 | 55% | 0.553 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -77.8 | -28 | -176.2 | -73 | -76.9 | 0 | 0 | 0 | 111.8 | W292 E304 M307 | W292-F294 VanDerWaalsContact O-CD2 3.32Å; W292-F294 WeakPolarHBondContact O-CD2 3.45Å; W292-F294 PolarHBondContact O-N 2.68Å; F294-E304 HydrophobicContact CD2-CG 4.17Å; F294-E304 PolarHBondContact N-OE1 2.83Å; F294-M307 HydrophobicContact CD2-CE 4.38Å; F294-M307 HydrophobicContact CE2-CE 3.43Å; F294-M307 VanDerWaalsContact CE2-CE 3.43Å; F294-M307 HydrophobicContact CZ-CE 3.64Å |
| 295 | N | 84.7 | Confident | 84.9 | Confident | 85 Ų | 85 | 60.1 Ų | 60.1 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -88.3 | -10.7 | -177 | 76.4 | 18.8 | 0 | 0 | 0 | 112 | D293 D297 | D293-N295 PolarHBondContact OD1-N 2.85Å; D293-N295 PolarHBondContact OD1-OD1 2.8Å; N295-D297 VanDerWaalsContact C-N 3.3Å; N295-D297 VanDerWaalsContact CG-CG 3.5Å; N295-D297 PolarHBondContact ND2-OD2 2.94Å; N295-D297 WeakPolarHBondContact OD1-CB 3.36Å; N295-D297 PolarHBondContact OD1-N 3.48Å; N295-D297 PolarHBondContact OD1-OD1 2.89Å; N295-D297 VanDerWaalsContact OD1-OD1 3.08Å; N295-D297 PolarHBondContact OD1-OD2 3.45Å |
| 296 | N | 83.6 | Confident | 84.6 | Confident | 136 Ų | 136 | 60.7 Ų | 60.7 | 73% | 0.727 | 31% | 0.311 | S | S | * | . | trans | 57.2 | 36.1 | -177.6 | -60.9 | -88 | 0 | 0 | 0 | 113.3 | D293 G298 | D293-N296 WeakPolarHBondContact OD1-CA 3.39Å; D293-N296 PolarHBondContact OD1-N 2.75Å; D293-N296 WeakPolarHBondContact OD2-CA 3.17Å; N296-G298 VanDerWaalsContact C-N 3.33Å | ||
| 297 | D | 87.4 | Confident | 84.2 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -87.5 | -4.4 | 175.8 | 72.7 | 10 | 0 | 0 | 0 | 113.2 | D293 N295 K299 | D293-D297 PolarHBondContact OD1-N 3.21Å; D293-D297 PolarHBondContact OD2-N 2.89Å; N295-D297 VanDerWaalsContact C-N 3.3Å; N295-D297 VanDerWaalsContact CG-CG 3.5Å; N295-D297 PolarHBondContact ND2-OD2 2.94Å; N295-D297 WeakPolarHBondContact OD1-CB 3.36Å; N295-D297 PolarHBondContact OD1-N 3.48Å; N295-D297 PolarHBondContact OD1-OD1 2.89Å; N295-D297 VanDerWaalsContact OD1-OD1 3.08Å; N295-D297 PolarHBondContact OD1-OD2 3.45Å; D297-K299 VanDerWaalsContact C-N 3.27Å; D297-K299 WeakPolarHBondContact OD1-CA 2.83Å; D297-K299 WeakPolarHBondContact OD1-CB 3.36Å; D297-K299 WeakPolarHBondContact OD1-CG 3.44Å; D297-K299 PolarHBondContact OD1-N 3.13Å |
| 298 | G | 83.6 | Confident | 84 | Confident | 28 Ų | 28 | 59.7 Ų | 59.7 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 79.4 | 8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D293 N296 | D293-G298 VanDerWaalsContact OD2-CA 3.31Å; D293-G298 WeakPolarHBondContact OD2-CA 3.25Å; D293-G298 PolarHBondContact OD2-N 2.74Å; N296-G298 VanDerWaalsContact C-N 3.33Å |
| 299 | K | 89.6 | Confident | 83.6 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -118 | 170 | -179.1 | -41.6 | -173.8 | -173.5 | -147.9 | 0 | 110 | A255 E257 D297 | A255-K299 HydrophobicContact CB-CB 4.03Å; A255-K299 HydrophobicContact CB-CD 3.81Å; E257-K299 HydrophobicContact CB-CB 4.15Å; E257-K299 HydrophobicContact CB-CD 4.12Å; E257-K299 HydrophobicContact CB-CG 3.88Å; E257-K299 HydrophobicContact CG-CD 4.45Å; E257-K299 IonicContact OE1-NZ 3.65Å; E257-K299 PolarHBondContact OE1-NZ 2.9Å; E257-K299 VanDerWaalsContact OE2-CD 3.24Å; E257-K299 WeakPolarHBondContact OE2-CD 3.12Å; E257-K299 WeakPolarHBondContact OE2-CE 3.49Å; E257-K299 IonicContact OE2-NZ 3.29Å; E257-K299 PolarHBondContact OE2-NZ 3.32Å; D297-K299 VanDerWaalsContact C-N 3.27Å; D297-K299 WeakPolarHBondContact OD1-CA 2.83Å; D297-K299 WeakPolarHBondContact OD1-CB 3.36Å; D297-K299 WeakPolarHBondContact OD1-CG 3.44Å; D297-K299 PolarHBondContact OD1-N 3.13Å |
| 300 | I | 87.1 | Confident | 82.9 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 109.5 | 170.6 | -59.7 | -168.4 | 0 | 0 | 0 | 108.8 | F245 I256 L261 I288 L289 E304 M305 | F245-I300 WeakPolarHBondContact CE2-O 3.23Å; I256-I300 HydrophobicContact CB-CB 4.4Å; I256-I300 PolarHBondContact N-O 3.39Å; I256-I300 PolarHBondContact O-N 3.43Å; L261-I300 HydrophobicContact CD1-CD1 3.56Å; L261-I300 HydrophobicContact CD1-CG1 4.05Å; I288-I300 HydrophobicContact CG2-CD1 3.45Å; I288-I300 VanDerWaalsContact CG2-CD1 3.45Å; L289-I300 HydrophobicContact CD2-CG1 4.13Å; I300-E304 HydrophobicContact CG2-CB 4.05Å; I300-M305 HydrophobicContact CG2-CB 3.89Å |
| 301 | S | 89 | Confident | 82.2 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 22% | 0.217 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 163.7 | 171.8 | 66.8 | 0 | 0 | 0 | 0 | 112 | F245 E303 E304 M305 | F245-S301 VanDerWaalsContact CE2-C 3.47Å; S301-E303 PolarHBondContact O-N 2.83Å; S301-E304 WeakPolarHBondContact CB-OE2 3.16Å; S301-E304 PolarHBondContact N-OE2 2.66Å; S301-E304 PolarHBondContact O-N 2.92Å; S301-E304 VanDerWaalsContact O-N 3.13Å; S301-E304 VanDerWaalsContact OG-CD 3.23Å; S301-E304 VanDerWaalsContact OG-CG 3.31Å; S301-E304 WeakPolarHBondContact OG-CG 3.29Å; S301-E304 PolarHBondContact OG-N 3.18Å; S301-E304 PolarHBondContact OG-OE2 3.15Å; S301-M305 PolarHBondContact O-N 2.85Å |
| 302 | L | 85.9 | Confident | 81.6 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 28% | 0.277 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.7 | -38.5 | 176.9 | 179.5 | 64.6 | 0 | 0 | 0 | 112.6 | V241 F245 R306 | V241-L302 HydrophobicContact CG1-CD1 4.4Å; F245-L302 HydrophobicContact CB-CD1 3.47Å; F245-L302 VanDerWaalsContact CB-CD1 3.47Å; F245-L302 HydrophobicContact CD1-CB 4.44Å; F245-L302 HydrophobicContact CD1-CD1 4.05Å; F245-L302 HydrophobicContact CD2-CB 4.06Å; F245-L302 HydrophobicContact CD2-CD1 3.74Å; F245-L302 HydrophobicContact CE1-CB 4.39Å; F245-L302 VanDerWaalsContact CE2-CA 3.44Å; F245-L302 HydrophobicContact CE2-CB 4.03Å; F245-L302 HydrophobicContact CG-CB 4.29Å; F245-L302 HydrophobicContact CG-CD1 3.46Å; F245-L302 VanDerWaalsContact CG-CD1 3.46Å; F245-L302 HydrophobicContact CG-CG 4.47Å; F245-L302 HydrophobicContact CZ-CB 4.19Å; L302-R306 WeakPolarHBondContact O-CB 3.28Å; L302-R306 VanDerWaalsContact O-CG 3.29Å; L302-R306 WeakPolarHBondContact O-CG 3.32Å; L302-R306 PolarHBondContact O-N 3.37Å |
| 303 | E | 84.6 | Confident | 80.6 | Confident | 131 Ų | 131 | 56.5 Ų | 56.5 | 61% | 0.612 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.3 | -38.7 | -179.5 | -143.4 | 68.9 | -153.6 | 0 | 0 | 111.3 | S301 R306 M307 | S301-E303 PolarHBondContact O-N 2.83Å; E303-R306 WeakPolarHBondContact O-CB 3.46Å; E303-R306 PolarHBondContact O-N 3.3Å; E303-M307 VanDerWaalsContact O-CG 3.28Å; E303-M307 WeakPolarHBondContact O-CG 3.18Å; E303-M307 PolarHBondContact O-N 2.72Å |
| 304 | E | 86.4 | Confident | 78.8 | Confident | 11 Ų | 11 | 59 Ų | 59 | 5% | 0.051 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.3 | -41.6 | 176.7 | -70 | 164.5 | 150.3 | 0 | 0 | 111.6 | W292 F294 I300 S301 R306 M307 L308 | W292-E304 WeakPolarHBondContact O-CB 3.38Å; W292-E304 VanDerWaalsContact O-CG 3.24Å; W292-E304 WeakPolarHBondContact O-CG 3.37Å; F294-E304 HydrophobicContact CD2-CG 4.17Å; F294-E304 PolarHBondContact N-OE1 2.83Å; I300-E304 HydrophobicContact CG2-CB 4.05Å; S301-E304 WeakPolarHBondContact CB-OE2 3.16Å; S301-E304 PolarHBondContact N-OE2 2.66Å; S301-E304 PolarHBondContact O-N 2.92Å; S301-E304 VanDerWaalsContact O-N 3.13Å; S301-E304 VanDerWaalsContact OG-CD 3.23Å; S301-E304 VanDerWaalsContact OG-CG 3.31Å; S301-E304 WeakPolarHBondContact OG-CG 3.29Å; S301-E304 PolarHBondContact OG-N 3.18Å; S301-E304 PolarHBondContact OG-OE2 3.15Å; E304-R306 VanDerWaalsContact C-N 3.32Å; E304-R306 PolarHBondContact O-N 2.78Å; E304-M307 WeakPolarHBondContact O-CB 3.19Å; E304-M307 PolarHBondContact O-N 2.77Å; E304-L308 WeakPolarHBondContact O-CB 3.4Å; E304-L308 PolarHBondContact O-N 3.2Å |
| 305 | M | 83.9 | Confident | 77.3 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 173.8 | -167.4 | 179.7 | -157.2 | 0 | 0 | 111.6 | V241 V244 F245 Y248 I256 F264 I300 S301 M307 L308 L309 | V241-M305 HydrophobicContact CG1-CB 4.46Å; V241-M305 HydrophobicContact CG1-CG 4.23Å; V244-M305 HydrophobicContact CB-CE 4.37Å; V244-M305 HydrophobicContact CG1-CE 3.47Å; V244-M305 VanDerWaalsContact CG1-CE 3.47Å; V244-M305 HydrophobicContact CG1-SD 4.49Å; F245-M305 HydrophobicContact CB-SD 3.86Å; F245-M305 HydrophobicContact CD2-CB 4.01Å; F245-M305 HydrophobicContact CD2-CG 4.43Å; F245-M305 HydrophobicContact CD2-SD 3.55Å; F245-M305 VanDerWaalsContact CD2-SD 3.55Å; F245-M305 HydrophobicContact CG-SD 4.18Å; Y248-M305 HydrophobicContact CD2-CE 4.29Å; I256-M305 HydrophobicContact CD1-CE 4.06Å; I256-M305 HydrophobicContact CD1-SD 3.65Å; F264-M305 HydrophobicContact CD2-CE 3.61Å; F264-M305 HydrophobicContact CE2-CE 3.37Å; F264-M305 HydrophobicContact CG-CE 4.31Å; F264-M305 HydrophobicContact CZ-CE 3.9Å; I300-M305 HydrophobicContact CG2-CB 3.89Å; S301-M305 PolarHBondContact O-N 2.85Å; M305-M307 VanDerWaalsContact C-N 3.34Å; M305-M307 PolarHBondContact O-N 2.81Å; M305-L308 PolarHBondContact O-N 3.04Å; M305-L309 HydrophobicContact CE-CD1 4.25Å; M305-L309 HydrophobicContact CG-CD1 4.13Å; M305-L309 HydrophobicContact CG-CG 4.4Å; M305-L309 PolarHBondContact O-N 3.24Å |
| 306 | R | 81.3 | Confident | 75.3 | Confident | 59 Ų | 59 | 60.6 Ų | 60.6 | 22% | 0.223 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 173.4 | -81.1 | 173.7 | 166 | -133.5 | 6.5 | 111.2 | A238 V241 D242 L302 E303 E304 L310 | A238-R306 PolarHBondContact O-NH2 2.61Å; V241-R306 HydrophobicContact CB-CG 3.74Å; V241-R306 HydrophobicContact CG1-CB 4.22Å; V241-R306 HydrophobicContact CG1-CG 3.37Å; V241-R306 HydrophobicContact CG2-CG 4.12Å; D242-R306 IonicContact OD1-CZ 3.86Å; D242-R306 VanDerWaalsContact OD1-CZ 3.29Å; D242-R306 IonicContact OD1-NE 2.82Å; D242-R306 PolarHBondContact OD1-NE 3.21Å; D242-R306 IonicContact OD1-NH2 3.11Å; D242-R306 PolarHBondContact OD1-NH2 2.77Å; D242-R306 IonicContact OD2-NH2 3.28Å; D242-R306 PolarHBondContact OD2-NH2 3.26Å; L302-R306 WeakPolarHBondContact O-CB 3.28Å; L302-R306 VanDerWaalsContact O-CG 3.29Å; L302-R306 WeakPolarHBondContact O-CG 3.32Å; L302-R306 PolarHBondContact O-N 3.37Å; E303-R306 WeakPolarHBondContact O-CB 3.46Å; E303-R306 PolarHBondContact O-N 3.3Å; E304-R306 VanDerWaalsContact C-N 3.32Å; E304-R306 PolarHBondContact O-N 2.78Å; R306-L310 WeakPolarHBondContact O-CB 3.44Å; R306-L310 WeakPolarHBondContact O-CD1 3.21Å; R306-L310 WeakPolarHBondContact O-CG 3.17Å; R306-L310 PolarHBondContact O-N 3.4Å |
| 307 | M | 80.1 | Confident | 72.9 | Confident | 93 Ų | 93 | 57.5 Ų | 57.5 | 46% | 0.458 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 176.8 | -72.2 | -101.3 | -72.9 | 0 | 0 | 112 | W292 F294 E303 E304 M305 A311 | W292-M307 HydrophobicContact CE3-CB 4.02Å; W292-M307 VanDerWaalsContact CZ3-C 3.4Å; W292-M307 HydrophobicContact CZ3-CB 3.89Å; W292-M307 WeakPolarHBondContact CZ3-O 3.22Å; F294-M307 HydrophobicContact CD2-CE 4.38Å; F294-M307 HydrophobicContact CE2-CE 3.43Å; F294-M307 VanDerWaalsContact CE2-CE 3.43Å; F294-M307 HydrophobicContact CZ-CE 3.64Å; E303-M307 VanDerWaalsContact O-CG 3.28Å; E303-M307 WeakPolarHBondContact O-CG 3.18Å; E303-M307 PolarHBondContact O-N 2.72Å; E304-M307 WeakPolarHBondContact O-CB 3.19Å; E304-M307 PolarHBondContact O-N 2.77Å; M305-M307 VanDerWaalsContact C-N 3.34Å; M305-M307 PolarHBondContact O-N 2.81Å; M307-A311 VanDerWaalsContact O-CB 3.3Å; M307-A311 WeakPolarHBondContact O-CB 3.49Å; M307-A311 PolarHBondContact O-N 3.11Å |
| 308 | L | 79.1 | Confident | 70.4 | Confident | 17 Ų | 17 | 61.2 Ų | 61.2 | 9% | 0.089 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57 | -55.6 | 178 | 175.8 | 77.2 | 0 | 0 | 0 | 111.6 | F264 I288 W292 E304 M305 A311 Y312 | F264-L308 HydrophobicContact CE1-CD2 3.7Å; F264-L308 HydrophobicContact CZ-CD2 3.66Å; I288-L308 HydrophobicContact CD1-CD1 4.28Å; I288-L308 HydrophobicContact CD1-CD2 4.29Å; I288-L308 HydrophobicContact CG2-CD1 4.45Å; I288-L308 HydrophobicContact CG2-CD2 4.5Å; W292-L308 VanDerWaalsContact CD1-CD1 3.46Å; W292-L308 HydrophobicContact CD2-CB 3.99Å; W292-L308 HydrophobicContact CD2-CD1 3.69Å; W292-L308 HydrophobicContact CD2-CG 4.48Å; W292-L308 VanDerWaalsContact CE2-CD1 3.46Å; W292-L308 HydrophobicContact CE3-CB 4.04Å; W292-L308 HydrophobicContact CG-CB 4.33Å; W292-L308 HydrophobicContact CG-CD1 3.7Å; W292-L308 HydrophobicContact CZ2-CD1 4.16Å; W292-L308 VanDerWaalsContact NE1-CD1 3.27Å; E304-L308 WeakPolarHBondContact O-CB 3.4Å; E304-L308 PolarHBondContact O-N 3.2Å; M305-L308 PolarHBondContact O-N 3.04Å; L308-A311 PolarHBondContact O-N 3.46Å; L308-Y312 PolarHBondContact O-N 2.83Å |
| 309 | L | 72.9 | Confident | 68.1 | Low | 10 Ų | 10 | 66.3 Ų | 66.3 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.2 | -37.6 | -175.6 | -68.4 | 178.9 | 0 | 0 | 0 | 112.2 | F230 I236 V241 M305 A311 Y312 S313 | F230-L309 HydrophobicContact CE1-CD1 4.31Å; I236-L309 HydrophobicContact CD1-CB 4.35Å; V241-L309 HydrophobicContact CB-CD1 4.41Å; V241-L309 HydrophobicContact CG1-CD1 4.01Å; V241-L309 HydrophobicContact CG2-CB 4.28Å; V241-L309 HydrophobicContact CG2-CD1 4Å; M305-L309 HydrophobicContact CE-CD1 4.25Å; M305-L309 HydrophobicContact CG-CD1 4.13Å; M305-L309 HydrophobicContact CG-CG 4.4Å; M305-L309 PolarHBondContact O-N 3.24Å; L309-A311 VanDerWaalsContact C-N 3.35Å; L309-Y312 WeakPolarHBondContact O-CB 3.31Å; L309-Y312 PolarHBondContact O-N 2.94Å; L309-S313 PolarHBondContact O-N 3.02Å |
| 310 | L | 71.4 | Confident | 65.4 | Low | 81 Ų | 81 | 69.8 Ų | 69.8 | 42% | 0.424 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 175 | -73.8 | 171.4 | 0 | 0 | 0 | 111.6 | R306 Y312 S313 S314 | R306-L310 WeakPolarHBondContact O-CB 3.44Å; R306-L310 WeakPolarHBondContact O-CD1 3.21Å; R306-L310 WeakPolarHBondContact O-CG 3.17Å; R306-L310 PolarHBondContact O-N 3.4Å; L310-Y312 VanDerWaalsContact C-N 3.31Å; L310-Y312 PolarHBondContact O-N 3.04Å; L310-S313 PolarHBondContact O-N 2.89Å; L310-S313 PolarHBondContact O-OG 3.22Å; L310-S314 WeakPolarHBondContact O-CB 3.19Å; L310-S314 PolarHBondContact O-N 2.92Å; L310-S314 PolarHBondContact O-OG 3.4Å |
| 311 | A | 69.7 | Low | 62.7 | Low | 30 Ų | 30 | 73.6 Ų | 73.6 | 25% | 0.248 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.3 | -34.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | W292 M307 L308 L309 S314 K315 | W292-A311 HydrophobicContact CH2-CB 3.24Å; W292-A311 HydrophobicContact CZ2-CB 3.97Å; W292-A311 HydrophobicContact CZ3-CB 4.05Å; M307-A311 VanDerWaalsContact O-CB 3.3Å; M307-A311 WeakPolarHBondContact O-CB 3.49Å; M307-A311 PolarHBondContact O-N 3.11Å; L308-A311 PolarHBondContact O-N 3.46Å; L309-A311 VanDerWaalsContact C-N 3.35Å; A311-S314 PolarHBondContact O-N 3.47Å; A311-K315 PolarHBondContact O-N 2.76Å |
| 312 | Y | 65 | Low | 60 | Low | 125 Ų | 125 | 79 Ų | 79 | 49% | 0.49 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62 | -49.7 | 172.7 | -152.3 | -88.3 | 0 | 0 | 0 | 110.7 | L308 L309 L310 S314 K315 | L308-Y312 PolarHBondContact O-N 2.83Å; L309-Y312 WeakPolarHBondContact O-CB 3.31Å; L309-Y312 PolarHBondContact O-N 2.94Å; L310-Y312 VanDerWaalsContact C-N 3.31Å; L310-Y312 PolarHBondContact O-N 3.04Å; Y312-S314 PolarHBondContact O-N 2.56Å; Y312-K315 PolarHBondContact O-N 2.97Å |
| 313 | S | 60.1 | Low | 57.3 | Low | 18 Ų | 18 | 82.3 Ų | 82.3 | 13% | 0.126 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.9 | -27.2 | 176.7 | 74.6 | 0 | 0 | 0 | 0 | 114.3 | L309 L310 S317 | L309-S313 PolarHBondContact O-N 3.02Å; L310-S313 PolarHBondContact O-N 2.89Å; L310-S313 PolarHBondContact O-OG 3.22Å; S313-S317 PolarHBondContact O-OG 3.28Å; S313-S317 VanDerWaalsContact O-OG 3.09Å |
| 314 | S | 49.1 | Very low | 54.8 | Low | 64 Ų | 64 | 86.7 Ų | 86.7 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -81.6 | -19.8 | -179.3 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | L310 A311 Y312 S317 | L310-S314 WeakPolarHBondContact O-CB 3.19Å; L310-S314 PolarHBondContact O-N 2.92Å; L310-S314 PolarHBondContact O-OG 3.4Å; A311-S314 PolarHBondContact O-N 3.47Å; Y312-S314 PolarHBondContact O-N 2.56Å; S314-S317 WeakPolarHBondContact CA-OG 3.34Å; S314-S317 PolarHBondContact O-OG 2.74Å; S314-S317 VanDerWaalsContact O-OG 3.13Å |
| 315 | K | 48 | Very low | 52 | Low | 161 Ų | 161 | 93.5 Ų | 93.5 | 70% | 0.7 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -80.7 | -37.5 | 178.6 | -90.9 | -179.6 | 176.1 | 173.6 | 0 | 112.4 | A311 Y312 S317 K318 M319 | A311-K315 PolarHBondContact O-N 2.76Å; Y312-K315 PolarHBondContact O-N 2.97Å; K315-S317 VanDerWaalsContact C-N 3.34Å; K315-K318 PolarHBondContact O-N 2.77Å; K315-M319 PolarHBondContact O-N 2.9Å |
| 316 | D | 44.3 | Very low | 49.3 | Very low | 84 Ų | 84 | 100.6 Ų | 100.6 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.2 | -38.3 | 174 | -78 | -29.5 | 0 | 0 | 0 | 111.8 | A233 K318 M319 D320 | A233-D316 HydrophobicContact CB-CB 4.12Å; D316-K318 PolarHBondContact O-N 3.19Å; D316-K318 VanDerWaalsContact O-N 3.15Å; D316-M319 PolarHBondContact O-N 2.94Å; D316-M319 VanDerWaalsContact O-N 3.08Å; D316-D320 PolarHBondContact O-N 3.38Å |
| 317 | S | 32.8 | Very low | 46.6 | Very low | 71 Ų | 71 | 105.7 Ų | 105.7 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.5 | -14.5 | 177.1 | 45.3 | 0 | 0 | 0 | 0 | 114.8 | S313 S314 K315 | S313-S317 PolarHBondContact O-OG 3.28Å; S313-S317 VanDerWaalsContact O-OG 3.09Å; S314-S317 WeakPolarHBondContact CA-OG 3.34Å; S314-S317 PolarHBondContact O-OG 2.74Å; S314-S317 VanDerWaalsContact O-OG 3.13Å; K315-S317 VanDerWaalsContact C-N 3.34Å |
| 318 | K | 34.3 | Very low | 43.9 | Very low | 156 Ų | 156 | 104.4 Ų | 104.4 | 68% | 0.678 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -91.9 | -17.4 | 171.3 | -90 | -177.2 | 176.8 | 174 | 0 | 114 | K315 D316 S321 | K315-K318 PolarHBondContact O-N 2.77Å; D316-K318 PolarHBondContact O-N 3.19Å; D316-K318 VanDerWaalsContact O-N 3.15Å; K318-S321 PolarHBondContact O-OG 2.86Å |
| 319 | M | 35.4 | Very low | 41.3 | Very low | 135 Ų | 135 | 109.3 Ų | 109.3 | 67% | 0.665 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -78 | -26.4 | 173 | -72.5 | -133.7 | -167.6 | 0 | 0 | 112.3 | K315 D316 | K315-M319 PolarHBondContact O-N 2.9Å; D316-M319 PolarHBondContact O-N 2.94Å; D316-M319 VanDerWaalsContact O-N 3.08Å |
| 320 | D | 32.7 | Very low | 39 | Very low | 132 Ų | 132 | 117.8 Ų | 117.8 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -78.7 | -18.7 | 178.1 | -76.5 | -22.4 | 0 | 0 | 0 | 114.3 | D316 | D316-D320 PolarHBondContact O-N 3.38Š|
| 321 | S | 31.3 | Very low | 36.8 | Very low | 82 Ų | 82 | 119.1 Ų | 119.1 | 57% | 0.573 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -84.2 | -18.2 | 178.7 | 64 | 0 | 0 | 0 | 0 | 114.5 | K318 | K318-S321 PolarHBondContact O-OG 2.86Š|
| 322 | D | 32.2 | Very low | 34.6 | Very low | 144 Ų | 144 | 124.2 Ų | 124.2 | 77% | 0.77 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -104.8 | 5.2 | -175.2 | -74.4 | -8.5 | 0 | 0 | 0 | 113.8 | ||
| 323 | N | 29.2 | Very low | 32.7 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 66% | 0.658 | 69% | 0.688 | S | S | * | * | trans | -113.9 | 20.3 | -176 | -144.1 | 16.2 | 0 | 0 | 0 | 115.9 | N325 | N323-N325 PolarHBondContact O-N 3.09Š| ||
| 324 | Y | 30.9 | Very low | 31 | Very low | 223 Ų | 223 | 133.8 Ų | 133.8 | 88% | 0.875 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -86.1 | 27.6 | 171.3 | -112.1 | -84.3 | 0 | 0 | 0 | 113.9 | ||
| 325 | N | 27.6 | Very low | 29.9 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -158.2 | 56 | 176.5 | -126.8 | 13.3 | 0 | 0 | 0 | 114.2 | N323 | N323-N325 PolarHBondContact O-N 3.09Š|
| 326 | N | 26.9 | Very low | 28.8 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | trans | -167 | 129.5 | 143.1 | -119.6 | -21.1 | 0 | 0 | 0 | 113.7 | ||||
| 327 | N | 25 | Very low | 27.8 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | trans | -65.2 | 136.4 | 166.9 | -91.1 | -26.6 | 0 | 0 | 0 | 110.9 | ||||
| 328 | G | 24.3 | Very low | 27.4 | Very low | 66 Ų | 66 | 142 Ų | 142 | 68% | 0.68 | 74% | 0.739 | S | S | * | * | trans | 111.1 | 105.7 | 151.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 329 | S | 24.3 | Very low | 26.9 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | trans | 67.4 | 130.2 | 140.1 | -54.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 330 | K | 25.6 | Very low | 26.4 | Very low | 187 Ų | 187 | 135.4 Ų | 135.4 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | trans | 92 | 99.5 | 165.4 | -61.8 | -175.8 | 175.6 | -177.6 | 0 | 116.3 | I332 | K330-I332 HydrophobicContact CB-CG1 4.41Å; K330-I332 PolarHBondContact O-N 3.17Å | ||
| 331 | A | 24.8 | Very low | 26.1 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 90% | 0.901 | 73% | 0.734 | S | S | * | * | trans | -58.2 | 113.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 332 | I | 23.4 | Very low | 25.9 | Very low | 137 Ų | 137 | 137 Ų | 137 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | trans | -104.2 | 106.7 | 175.9 | -67.7 | 171.4 | 0 | 0 | 0 | 106.5 | K330 K334 | K330-I332 HydrophobicContact CB-CG1 4.41Å; K330-I332 PolarHBondContact O-N 3.17Å; I332-K334 PolarHBondContact O-N 3.24Å; I332-K334 VanDerWaalsContact O-N 3.11Å | ||
| 333 | N | 24.6 | Very low | 26 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | trans | -55.1 | 109 | 161.5 | -86.2 | -19 | 0 | 0 | 0 | 108.7 | K335 | N333-K335 PolarHBondContact O-N 3.4Š| ||
| 334 | K | 24.3 | Very low | 25.8 | Very low | 185 Ų | 185 | 137 Ų | 137 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -95 | 86 | 173.5 | -121 | 178.5 | -177.3 | 175.9 | 0 | 108.8 | I332 | I332-K334 PolarHBondContact O-N 3.24Å; I332-K334 VanDerWaalsContact O-N 3.11Å | ||
| 335 | K | 25.2 | Very low | 25.6 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 61% | 0.613 | 72% | 0.722 | S | S | * | * | trans | -52.3 | 131.5 | 169.4 | -86.1 | -167.6 | 169.4 | -142.1 | 0 | 110.8 | E273 N333 Y337 | E273-K335 IonicContact OE1-NZ 3.88Å; E273-K335 PolarHBondContact OE1-NZ 2.98Å; N333-K335 PolarHBondContact O-N 3.4Å; K335-Y337 PolarHBondContact O-N 2.92Å | ||
| 336 | L | 24.7 | Very low | 25.7 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 70% | 0.702 | 71% | 0.712 | S | S | * | * | trans | -69.3 | 107.7 | 162 | -99.7 | 112.9 | 0 | 0 | 0 | 108 | M338 | L336-M338 HydrophobicContact CD2-CG 4.5Š| ||
| 337 | Y | 23.5 | Very low | 25.8 | Very low | 212 Ų | 212 | 128.3 Ų | 128.3 | 83% | 0.831 | 70% | 0.702 | S | S | * | * | trans | -83.2 | 121.6 | 174.3 | -108.5 | -89.2 | 0 | 0 | 0 | 110 | K335 | K335-Y337 PolarHBondContact O-N 2.92Š| ||
| 338 | M | 26.2 | Very low | 25.9 | Very low | 67 Ų | 67 | 125.4 Ų | 125.4 | 33% | 0.33 | 70% | 0.701 | S | S | . | * | trans | -161.7 | 101.1 | -166.9 | -93.7 | -32.9 | -168.5 | 0 | 0 | 109.2 | Y283 M287 L336 | Y283-M338 HydrophobicContact CD1-CB 3.59Å; Y283-M338 HydrophobicContact CD1-CG 4.15Å; Y283-M338 HydrophobicContact CE1-CB 3.06Å; Y283-M338 HydrophobicContact CE1-CG 3.24Å; Y283-M338 HydrophobicContact CE1-SD 3.76Å; Y283-M338 HydrophobicContact CE2-CB 4.16Å; Y283-M338 HydrophobicContact CG-CB 4.41Å; Y283-M338 VanDerWaalsContact CZ-SD 3.58Å; Y283-M338 WeakPolarHBondContact OH-CG 3.41Å; Y283-M338 PolarHBondContact OH-SD 3.25Å; M287-M338 HydrophobicContact CE-CE 3.11Å; M287-M338 HydrophobicContact CG-CE 3.98Å; M287-M338 HydrophobicContact SD-CE 3.28Å; M287-M338 WeakPolarHBondContact SD-CE 3.23Å; M287-M338 HydrophobicContact SD-SD 4.44Å; L336-M338 HydrophobicContact CD2-CG 4.5Å | ||
| 339 | G | 23.5 | Very low | 26 | Very low | 69 Ų | 69 | 128.8 Ų | 128.8 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | trans | -100.8 | 138.8 | -163.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y283 | Y283-G339 WeakPolarHBondContact CE2-O 3.38Š| ||
| 340 | K | 25.2 | Very low | 26.3 | Very low | 83 Ų | 83 | 129.5 Ų | 129.5 | 36% | 0.361 | 69% | 0.694 | S | S | . | * | trans | -92.6 | 154.3 | -168.5 | -59.9 | 164.7 | -174.1 | 177.6 | 0 | 115.3 | D277 S279 D280 Y283 | D277-K340 VanDerWaalsContact CG-NZ 3.26Å; D277-K340 IonicContact OD1-NZ 3.6Å; D277-K340 PolarHBondContact OD1-NZ 3.38Å; D277-K340 IonicContact OD2-NZ 2.58Å; D277-K340 PolarHBondContact OD2-NZ 2.93Å; S279-K340 VanDerWaalsContact C-NZ 3.3Å; S279-K340 WeakPolarHBondContact O-CE 3.5Å; D280-K340 VanDerWaalsContact CG-CE 3.43Å; D280-K340 WeakPolarHBondContact OD1-CE 3.44Å; D280-K340 IonicContact OD1-NZ 2.77Å; D280-K340 PolarHBondContact OD1-NZ 2.94Å; D280-K340 IonicContact OD2-NZ 2.94Å; D280-K340 PolarHBondContact OD2-NZ 3.19Å; Y283-K340 HydrophobicContact CD2-CG 4.09Å; Y283-K340 HydrophobicContact CG-CG 4.47Å | ||
| 341 | S | 25.4 | Very low | 26.7 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 88% | 0.881 | 69% | 0.693 | S | S | * | * | trans | -153.5 | 127.1 | 156.2 | 52.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 342 | N | 27.9 | Very low | 27.1 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 65% | 0.647 | 68% | 0.677 | S | S | * | * | trans | -100.3 | -170.3 | -170.2 | -141.7 | -0.2 | 0 | 0 | 0 | 111.3 | ||||
| 343 | P | 32.5 | Very low | 27.7 | Very low | 86 Ų | 86 | 122.7 Ų | 122.7 | 56% | 0.558 | 65% | 0.65 | S | S | * | * | cis | -150.1 | 176.8 | -9.8 | 36.4 | -12.7 | 0 | 0 | 0 | 119.7 | ||||
| 344 | R | 25.4 | Very low | 28.1 | Very low | 182 Ų | 182 | 121.6 Ų | 121.6 | 69% | 0.687 | 64% | 0.64 | S | S | * | * | trans | 72 | 147.3 | 142.4 | -76.8 | 160.8 | -167.4 | -152.8 | 1.1 | 120.5 | ||||
| 345 | H | 28.3 | Very low | 28.7 | Very low | 157 Ų | 157 | 117.5 Ų | 117.5 | 73% | 0.727 | 63% | 0.627 | S | S | * | * | cis | -167.8 | 156.3 | 28 | -126.5 | -53.7 | 0 | 0 | 0 | 114.4 | ||||
| 346 | S | 28.2 | Very low | 29.3 | Very low | 89 Ų | 89 | 112.5 Ų | 112.5 | 62% | 0.622 | 61% | 0.607 | S | S | * | * | trans | 99.1 | 90.5 | 134.2 | -161.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 347 | T | 28.8 | Very low | 29.8 | Very low | 97 Ų | 97 | 106.7 Ų | 106.7 | 60% | 0.595 | 58% | 0.576 | S | S | * | * | 40.9 | 115 | 119.7 | 56.5 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 348 | A | 27.1 | Very low | 30.6 | Very low | 105 Ų | 105 | 101.1 Ų | 101.1 | 87% | 0.868 | 56% | 0.556 | S | S | * | * | trans | -152.6 | 38.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 349 | E | 28 | Very low | 31.6 | Very low | 137 Ų | 137 | 101.7 Ų | 101.7 | 64% | 0.64 | 56% | 0.564 | S | S | * | * | trans | -140.4 | 96.4 | -177.7 | -92.1 | 168.8 | -174.1 | 0 | 0 | 111.5 | R353 | E349-R353 PolarHBondContact O-NE 3.44Å; E349-R353 PolarHBondContact O-NH2 2.9Å | ||
| 350 | N | 30.4 | Very low | 32.5 | Very low | 136 Ų | 136 | 99.4 Ų | 99.4 | 73% | 0.727 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -128.3 | 23.9 | 178 | -154.1 | 5.3 | 0 | 0 | 0 | 111.8 | ||
| 351 | V | 34 | Very low | 33.1 | Very low | 130 Ų | 130 | 98.5 Ų | 98.5 | 79% | 0.788 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -130.7 | -25 | -178.5 | -177.4 | 0 | 0 | 0 | 0 | 112.5 | R353 | V351-R353 VanDerWaalsContact C-N 3.28Š|
| 352 | E | 32.7 | Very low | 33.7 | Very low | 120 Ų | 120 | 96.5 Ų | 96.5 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -70 | -28 | 171.4 | -147.3 | 85.3 | -153.9 | 0 | 0 | 112.9 | Q354 N355 | E352-Q354 VanDerWaalsContact C-N 3.32Å; E352-Q354 PolarHBondContact O-N 2.88Å; E352-Q354 VanDerWaalsContact O-N 3.16Å; E352-N355 PolarHBondContact O-N 2.83Å; E352-N355 VanDerWaalsContact O-N 3.08Å |
| 353 | R | 36.2 | Very low | 34.3 | Very low | 41 Ų | 41 | 99.3 Ų | 99.3 | 16% | 0.155 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -49.6 | -38.2 | -171.2 | -73.5 | -148.9 | -174.3 | -156.9 | -1.8 | 116 | E153 E349 V351 | E153-R353 VanDerWaalsContact CD-CA 3.49Å; E153-R353 VanDerWaalsContact OE1-CA 3.26Å; E153-R353 WeakPolarHBondContact OE1-CA 3.5Å; E153-R353 WeakPolarHBondContact OE1-CB 3.38Å; E153-R353 WeakPolarHBondContact OE1-CD 3.46Å; E153-R353 WeakPolarHBondContact OE1-CG 3.25Å; E153-R353 VanDerWaalsContact OE2-CA 3.25Å; E153-R353 WeakPolarHBondContact OE2-CA 3.24Å; E153-R353 WeakPolarHBondContact OE2-CG 3.29Å; E349-R353 PolarHBondContact O-NE 3.44Å; E349-R353 PolarHBondContact O-NH2 2.9Å; V351-R353 VanDerWaalsContact C-N 3.28Å |
| 354 | Q | 32.1 | Very low | 34.4 | Very low | 135 Ų | 135 | 101 Ų | 101 | 63% | 0.631 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -85.6 | -8.9 | -177 | -65.8 | -168.4 | -3.8 | 0 | 0 | 115 | E352 | E352-Q354 VanDerWaalsContact C-N 3.32Å; E352-Q354 PolarHBondContact O-N 2.88Å; E352-Q354 VanDerWaalsContact O-N 3.16Å |
| 355 | N | 38 | Very low | 34.7 | Very low | 99 Ų | 99 | 105.2 Ų | 105.2 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -93.3 | -26.5 | -175 | -81 | -23.9 | 0 | 0 | 0 | 113.7 | E352 T359 | E352-N355 PolarHBondContact O-N 2.83Å; E352-N355 VanDerWaalsContact O-N 3.08Å; N355-T359 WeakPolarHBondContact O-CB 3.21Å; N355-T359 WeakPolarHBondContact O-CG2 3.46Å; N355-T359 PolarHBondContact O-N 3.08Å; N355-T359 VanDerWaalsContact O-N 3.07Å; N355-T359 PolarHBondContact O-OG1 2.74Å |
| 356 | I | 38.1 | Very low | 35 | Very low | 37 Ų | 37 | 102.7 Ų | 102.7 | 19% | 0.19 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -70.1 | -47.5 | -173.2 | -63.3 | 176.5 | 0 | 0 | 0 | 110.8 | K149 K358 T359 T360 | K149-I356 HydrophobicContact CB-CD1 4.34Å; K149-I356 HydrophobicContact CB-CG2 3.81Å; K149-I356 HydrophobicContact CD-CG2 4.17Å; I356-K358 PolarHBondContact O-N 3.24Å; I356-T359 PolarHBondContact O-N 3.42Å; I356-T359 PolarHBondContact O-OG1 2.82Å; I356-T360 PolarHBondContact O-N 3.35Å; I356-T360 PolarHBondContact O-OG1 2.88Å |
| 357 | I | 35.3 | Very low | 35.3 | Very low | 12 Ų | 12 | 103.4 Ų | 103.4 | 6% | 0.062 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -68.1 | -36 | 179.6 | -57.2 | 167.5 | 0 | 0 | 0 | 111 | E153 F154 E173 F177 T359 W361 | E153-I357 HydrophobicContact CG-CD1 4.49Å; F154-I357 HydrophobicContact CE2-CD1 3.51Å; F154-I357 HydrophobicContact CZ-CD1 3.48Å; F154-I357 VanDerWaalsContact CZ-CD1 3.48Å; E173-I357 HydrophobicContact CG-CD1 3.73Å; E173-I357 HydrophobicContact CG-CG2 4.38Å; F177-I357 HydrophobicContact CE2-CG2 3.72Å; F177-I357 HydrophobicContact CZ-CG2 4.01Å; I357-T359 PolarHBondContact O-N 3.29Å; I357-W361 WeakPolarHBondContact O-CB 3.36Å; I357-W361 PolarHBondContact O-N 3Å |
| 358 | K | 39.1 | Very low | 35.7 | Very low | 95 Ų | 95 | 103.7 Ų | 103.7 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.9 | -35.7 | 176.8 | -73.2 | 179.3 | -177.6 | 165.3 | 0 | 112.9 | F177 I356 S362 | F177-K358 HydrophobicContact CE1-CG 4.18Å; F177-K358 HydrophobicContact CZ-CG 4.1Å; I356-K358 PolarHBondContact O-N 3.24Å; K358-S362 WeakPolarHBondContact O-CB 3.05Å; K358-S362 PolarHBondContact O-N 2.96Å; K358-S362 PolarHBondContact O-OG 2.81Å |
| 359 | T | 47.5 | Very low | 36.2 | Very low | 79 Ų | 79 | 103.6 Ų | 103.6 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -83.4 | -32 | -175.5 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | N355 I356 I357 | N355-T359 WeakPolarHBondContact O-CB 3.21Å; N355-T359 WeakPolarHBondContact O-CG2 3.46Å; N355-T359 PolarHBondContact O-N 3.08Å; N355-T359 VanDerWaalsContact O-N 3.07Å; N355-T359 PolarHBondContact O-OG1 2.74Å; I356-T359 PolarHBondContact O-N 3.42Å; I356-T359 PolarHBondContact O-OG1 2.82Å; I357-T359 PolarHBondContact O-N 3.29Å |
| 360 | T | 42.7 | Very low | 36.7 | Very low | 20 Ų | 20 | 101.6 Ų | 101.6 | 12% | 0.123 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -72.7 | -31.6 | 175.3 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | D146 I356 | D146-T360 HydrophobicContact CB-CG2 4.27Å; I356-T360 PolarHBondContact O-N 3.35Å; I356-T360 PolarHBondContact O-OG1 2.88Å |
| 361 | W | 36.9 | Very low | 37.1 | Very low | 65 Ų | 65 | 99.3 Ų | 99.3 | 25% | 0.246 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -99 | -27.1 | -176.3 | -63.4 | 82.3 | 0 | 0 | 0 | 115 | N139 L141 L174 I357 K363 | N139-W361 VanDerWaalsContact CA-CH2 3.49Å; N139-W361 VanDerWaalsContact CA-CZ3 3.5Å; N139-W361 HydrophobicContact CB-CH2 3.62Å; N139-W361 HydrophobicContact CB-CZ3 3.74Å; N139-W361 VanDerWaalsContact O-CH2 3.28Å; N139-W361 WeakPolarHBondContact O-CH2 3.43Å; N139-W361 WeakPolarHBondContact OD1-CZ3 2.85Å; L141-W361 HydrophobicContact CD2-CZ2 3.85Å; L174-W361 HydrophobicContact CD1-CH2 4.16Å; L174-W361 HydrophobicContact CD1-CZ2 4.19Å; I357-W361 WeakPolarHBondContact O-CB 3.36Å; I357-W361 PolarHBondContact O-N 3Å; W361-K363 PolarHBondContact O-N 2.58Å |
| 362 | S | 39.3 | Very low | 37.4 | Very low | 83 Ų | 83 | 97.1 Ų | 97.1 | 58% | 0.58 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -79.4 | -5.4 | -178.3 | -65.3 | 0 | 0 | 0 | 0 | 115.7 | K358 R364 | K358-S362 WeakPolarHBondContact O-CB 3.05Å; K358-S362 PolarHBondContact O-N 2.96Å; K358-S362 PolarHBondContact O-OG 2.81Å; S362-R364 PolarHBondContact O-N 2.71Å |
| 363 | K | 39.5 | Very low | 37.7 | Very low | 180 Ų | 180 | 95.3 Ų | 95.3 | 78% | 0.783 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -80.7 | 9.2 | 179.7 | -75.5 | -176.5 | -179.3 | 173.9 | 0 | 114.5 | W361 | W361-K363 PolarHBondContact O-N 2.58Š|
| 364 | R | 35.5 | Very low | 37.8 | Very low | 123 Ų | 123 | 99.8 Ų | 99.8 | 46% | 0.464 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -113.5 | 28 | -175.2 | -71.7 | -173 | -176.1 | -159.4 | -6.2 | 115.8 | E138 N142 E221 S362 | E138-R364 PolarHBondContact O-NH1 2.96Å; N142-R364 PolarHBondContact OD1-NH2 3.43Å; N142-R364 VanDerWaalsContact OD1-NH2 3.07Å; E221-R364 VanDerWaalsContact CD-NH2 3.29Å; E221-R364 IonicContact OE1-CZ 2.74Å; E221-R364 IonicContact OE1-NH1 2.92Å; E221-R364 IonicContact OE1-NH2 3.18Å; E221-R364 PolarHBondContact OE1-NH2 3.42Å; E221-R364 IonicContact OE2-NH2 2.61Å; S362-R364 PolarHBondContact O-N 2.71Å |
| 365 | K | 30.2 | Very low | 38.4 | Very low | 270 Ų | 270 | 96.6 Ų | 96.6 | 100% | 1.174 | 46% | 0.459 | S | S | * | . | trans | -124.1 | 0 | 157.4 | -76.8 | -175.2 | -179.2 | 175.7 | 0 | 108.9 |
Retrieved 365 of 365 residues in 124.1 ms
(Link to these results)