| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.3 | Very low | 47.4 | Very low | 233 Ų | 233 | 153.5 Ų | 153.5 | 100% | 1.148 | 77% | 0.767 | S | S | * | * | 0 | 89 | 0 | -78.5 | -178.8 | -94 | 0 | 0 | 105 | L3 | M1-L3 PolarHBondContact O-N 3.16Å; M1-L3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | E | 41.1 | Very low | 49.1 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -69.3 | 106 | 177.3 | -58.4 | -59.2 | 113.5 | 0 | 0 | 105.7 | E4 | E2-E4 PolarHBondContact O-N 3.22Š| ||
| 3 | L | 47.4 | Very low | 51.2 | Low | 158 Ų | 158 | 149.6 Ų | 149.6 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | -56.9 | 100.9 | 157.7 | -91.7 | 148.1 | 0 | 0 | 0 | 103.9 | M1 R5 | M1-L3 PolarHBondContact O-N 3.16Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-R5 PolarHBondContact O-N 3.4Å | ||
| 4 | E | 45.9 | Very low | 53.2 | Low | 188 Ų | 188 | 143.9 Ų | 143.9 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | trans | -51.7 | 95.1 | 160.2 | -81.4 | -174.9 | 147.2 | 0 | 0 | 104.4 | E2 G6 | E2-E4 PolarHBondContact O-N 3.22Å; E4-G6 PolarHBondContact O-N 3.08Å | ||
| 5 | R | 46.4 | Very low | 55 | Low | 203 Ų | 203 | 141.2 Ų | 141.2 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | trans | -66.7 | 77.3 | 166.5 | -75.1 | -175.5 | -166.6 | -157.7 | 2.3 | 103.8 | L3 F7 | L3-R5 PolarHBondContact O-N 3.4Å; R5-F7 HydrophobicContact CB-CD2 4.02Å; R5-F7 HydrophobicContact CB-CE2 3.97Å; R5-F7 PolarHBondContact O-N 3.21Å | ||
| 6 | G | 41.8 | Very low | 56.8 | Low | 62 Ų | 62 | 140.6 Ų | 140.6 | 64% | 0.639 | 71% | 0.708 | S | S | * | * | trans | -56.4 | 88.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 104.1 | E4 V8 | E4-G6 PolarHBondContact O-N 3.08Å; G6-V8 PolarHBondContact O-N 3Å | ||
| 7 | F | 44.7 | Very low | 58.4 | Low | 168 Ų | 168 | 140.5 Ų | 140.5 | 74% | 0.737 | 70% | 0.697 | S | S | * | * | trans | -59.5 | 86.6 | 155.1 | -78.3 | -86.6 | 0 | 0 | 0 | 103.3 | R5 Q9 | R5-F7 HydrophobicContact CB-CD2 4.02Å; R5-F7 HydrophobicContact CB-CE2 3.97Å; R5-F7 PolarHBondContact O-N 3.21Å; F7-Q9 PolarHBondContact O-N 3.16Å | ||
| 8 | V | 49.5 | Very low | 59.7 | Low | 115 Ų | 115 | 138.3 Ų | 138.3 | 70% | 0.697 | 68% | 0.68 | S | S | * | * | trans | -55.1 | 107.4 | 158.7 | 177.5 | 0 | 0 | 0 | 0 | 101.8 | G6 L10 | G6-V8 PolarHBondContact O-N 3Å; V8-L10 HydrophobicContact CG1-CD2 4.21Å; V8-L10 PolarHBondContact O-N 2.81Å | ||
| 9 | Q | 48.3 | Very low | 61 | Low | 187 Ų | 187 | 135.6 Ų | 135.6 | 87% | 0.874 | 66% | 0.664 | S | S | * | * | trans | -66.6 | 82.8 | 173.9 | -168.7 | 176.4 | 2.1 | 0 | 0 | 104.4 | F7 N11 | F7-Q9 PolarHBondContact O-N 3.16Å; Q9-N11 PolarHBondContact O-N 3.16Å | ||
| 10 | L | 56.5 | Low | 62.3 | Low | 106 Ų | 106 | 135.6 Ų | 135.6 | 56% | 0.555 | 66% | 0.66 | S | S | * | * | trans | -52.3 | 119.4 | 172 | -70.7 | 173.4 | 0 | 0 | 0 | 104 | V8 S12 | V8-L10 HydrophobicContact CG1-CD2 4.21Å; V8-L10 PolarHBondContact O-N 2.81Å; L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 2.97Å | ||
| 11 | N | 63.3 | Low | 63.4 | Low | 88 Ų | 88 | 132 Ų | 132 | 47% | 0.471 | 64% | 0.642 | S | S | . | * | trans | -58.3 | 102.4 | -178.8 | -178.3 | -11.1 | 0 | 0 | 0 | 107.1 | Q9 E13 N14 Y15 | Q9-N11 PolarHBondContact O-N 3.16Å; N11-E13 PolarHBondContact O-N 3.02Å; N11-E13 WeakPolarHBondContact OD1-CB 3.12Å; N11-E13 PolarHBondContact OD1-N 2.78Å; N11-E13 VanDerWaalsContact OD1-N 3.16Å; N11-N14 PolarHBondContact ND2-ND2 3.33Å; N11-N14 CarbonylContact O-C 3.6Å; N11-N14 PolarHBondContact O-N 3.35Å; N11-Y15 PolarHBondContact O-N 2.75Å | ||
| 12 | S | 68 | Low | 65.6 | Low | 98 Ų | 98 | 122.4 Ų | 122.4 | 69% | 0.685 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.9 | -26.4 | -173.6 | 53 | 0 | 0 | 0 | 0 | 111.2 | L10 N14 Y15 | L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 2.97Å; S12-N14 PolarHBondContact O-N 3.05Å; S12-Y15 WeakPolarHBondContact O-CB 3.18Å; S12-Y15 PolarHBondContact O-N 3.02Å; S12-Y15 VanDerWaalsContact O-N 3.16Å |
| 13 | E | 76.5 | Confident | 67.8 | Low | 159 Ų | 159 | 116.3 Ų | 116.3 | 74% | 0.743 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -58.2 | -38.9 | 173.1 | -166.2 | 179.2 | 87.4 | 0 | 0 | 111.3 | N11 | N11-E13 PolarHBondContact O-N 3.02Å; N11-E13 WeakPolarHBondContact OD1-CB 3.12Å; N11-E13 PolarHBondContact OD1-N 2.78Å; N11-E13 VanDerWaalsContact OD1-N 3.16Å |
| 14 | N | 79.1 | Confident | 69.5 | Low | 70 Ų | 70 | 111.6 Ų | 111.6 | 37% | 0.374 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -94.1 | -8.2 | 178.8 | -71.6 | -61.9 | 0 | 0 | 0 | 113.2 | N11 S12 L16 R17 W18 | N11-N14 PolarHBondContact ND2-ND2 3.33Å; N11-N14 CarbonylContact O-C 3.6Å; N11-N14 PolarHBondContact O-N 3.35Å; S12-N14 PolarHBondContact O-N 3.05Å; N14-L16 PolarHBondContact O-N 3.47Å; N14-R17 PolarHBondContact O-N 2.91Å; N14-W18 WeakPolarHBondContact O-CB 3.44Å; N14-W18 PolarHBondContact O-N 3.41Å |
| 15 | Y | 79.6 | Confident | 71.3 | Confident | 103 Ų | 103 | 105.4 Ų | 105.4 | 40% | 0.404 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | -177.6 | 176.5 | -99 | 0 | 0 | 0 | 111.8 | N11 S12 R17 W18 K19 | N11-Y15 PolarHBondContact O-N 2.75Å; S12-Y15 WeakPolarHBondContact O-CB 3.18Å; S12-Y15 PolarHBondContact O-N 3.02Å; S12-Y15 VanDerWaalsContact O-N 3.16Å; Y15-R17 VanDerWaalsContact C-N 3.3Å; Y15-R17 PolarHBondContact O-N 3.4Å; Y15-W18 AromaticContact CD2-CE3 3.92Å; Y15-W18 HydrophobicContact CD2-CE3 3.92Å; Y15-W18 HydrophobicContact CD2-CZ3 4.14Å; Y15-W18 HydrophobicContact CE2-CE3 4.11Å; Y15-W18 AromaticContact CE2-CZ3 3.99Å; Y15-W18 HydrophobicContact CE2-CZ3 3.99Å; Y15-W18 PolarHBondContact O-N 2.81Å; Y15-K19 HydrophobicContact CE1-CB 4.45Å; Y15-K19 HydrophobicContact CE1-CD 4.07Å; Y15-K19 WeakPolarHBondContact O-CB 3.36Å; Y15-K19 PolarHBondContact O-N 3.26Å |
| 16 | L | 84.1 | Confident | 73.1 | Confident | 132 Ų | 132 | 96.7 Ų | 96.7 | 69% | 0.691 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62 | -40.3 | 178.9 | -69.7 | 176.9 | 0 | 0 | 0 | 112 | N14 F20 | N14-L16 PolarHBondContact O-N 3.47Å; L16-F20 WeakPolarHBondContact O-CB 3.44Å; L16-F20 PolarHBondContact O-N 3.17Å |
| 17 | R | 83.6 | Confident | 75.1 | Confident | 138 Ų | 138 | 99.1 Ų | 99.1 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.3 | -47.9 | 176.6 | -179.1 | -178.5 | 176.4 | 165 | 7.8 | 111.5 | N14 Y15 F20 E21 | N14-R17 PolarHBondContact O-N 2.91Å; Y15-R17 VanDerWaalsContact C-N 3.3Å; Y15-R17 PolarHBondContact O-N 3.4Å; R17-F20 PolarHBondContact O-N 3.48Å; R17-E21 IonicContact CZ-OE1 2.72Å; R17-E21 IonicContact NE-OE1 3.57Å; R17-E21 PolarHBondContact NE-OE1 3.15Å; R17-E21 IonicContact NH2-OE1 2.81Å; R17-E21 WeakPolarHBondContact O-CG 3.34Å; R17-E21 PolarHBondContact O-N 2.84Å |
| 18 | W | 82.6 | Confident | 77 | Confident | 102 Ų | 102 | 95 Ų | 95 | 39% | 0.386 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 178.7 | 174.3 | 58.3 | 0 | 0 | 0 | 111.1 | N14 Y15 F20 E21 I22 T64 | N14-W18 WeakPolarHBondContact O-CB 3.44Å; N14-W18 PolarHBondContact O-N 3.41Å; Y15-W18 AromaticContact CD2-CE3 3.92Å; Y15-W18 HydrophobicContact CD2-CE3 3.92Å; Y15-W18 HydrophobicContact CD2-CZ3 4.14Å; Y15-W18 HydrophobicContact CE2-CE3 4.11Å; Y15-W18 AromaticContact CE2-CZ3 3.99Å; Y15-W18 HydrophobicContact CE2-CZ3 3.99Å; Y15-W18 PolarHBondContact O-N 2.81Å; W18-F20 PolarHBondContact O-N 2.78Å; W18-E21 PolarHBondContact O-N 3.02Å; W18-I22 HydrophobicContact CG-CG1 4.45Å; W18-I22 HydrophobicContact CZ2-CG1 4.48Å; W18-I22 VanDerWaalsContact O-CG1 3.31Å; W18-I22 WeakPolarHBondContact O-CG1 3.36Å; W18-I22 PolarHBondContact O-N 3.41Å; W18-T64 HydrophobicContact CZ2-CG2 4.15Å |
| 19 | K | 85 | Confident | 78.6 | Confident | 86 Ų | 86 | 97.6 Ų | 97.6 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -54.7 | -53.4 | 174.6 | -179.8 | 176.2 | 171.8 | 178.5 | 0 | 110.6 | Y15 E21 I22 E23 | Y15-K19 HydrophobicContact CE1-CB 4.45Å; Y15-K19 HydrophobicContact CE1-CD 4.07Å; Y15-K19 WeakPolarHBondContact O-CB 3.36Å; Y15-K19 PolarHBondContact O-N 3.26Å; K19-E21 PolarHBondContact O-N 3.22Å; K19-I22 PolarHBondContact O-N 3.32Å; K19-E23 VanDerWaalsContact CE-CD 3.42Å; K19-E23 WeakPolarHBondContact CE-OE1 3.15Å; K19-E23 HydrophobicContact CG-CG 4.21Å; K19-E23 IonicContact NZ-OE1 2.85Å; K19-E23 VanDerWaalsContact O-CG 3.29Å; K19-E23 WeakPolarHBondContact O-CG 3.29Å; K19-E23 PolarHBondContact O-N 2.94Å |
| 20 | F | 85.9 | Confident | 80.2 | Confident | 135 Ų | 135 | 95.8 Ų | 95.8 | 59% | 0.592 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.6 | -43.2 | 178.5 | -179.4 | -96.6 | 0 | 0 | 0 | 113.1 | L16 R17 W18 I22 E23 T24 | L16-F20 WeakPolarHBondContact O-CB 3.44Å; L16-F20 PolarHBondContact O-N 3.17Å; R17-F20 PolarHBondContact O-N 3.48Å; W18-F20 PolarHBondContact O-N 2.78Å; F20-I22 VanDerWaalsContact C-N 3.33Å; F20-I22 PolarHBondContact O-N 2.68Å; F20-E23 PolarHBondContact O-N 2.97Å; F20-T24 WeakPolarHBondContact O-CB 3.39Å; F20-T24 PolarHBondContact O-N 3.47Å; F20-T24 PolarHBondContact O-OG1 3.36Å |
| 21 | E | 85.2 | Confident | 81.4 | Confident | 61 Ų | 61 | 91.1 Ų | 91.1 | 29% | 0.285 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 176.8 | -74.4 | 179.4 | -171.4 | 0 | 0 | 111.2 | R17 W18 K19 I25 R67 | R17-E21 IonicContact CZ-OE1 2.72Å; R17-E21 IonicContact NE-OE1 3.57Å; R17-E21 PolarHBondContact NE-OE1 3.15Å; R17-E21 IonicContact NH2-OE1 2.81Å; R17-E21 WeakPolarHBondContact O-CG 3.34Å; R17-E21 PolarHBondContact O-N 2.84Å; W18-E21 PolarHBondContact O-N 3.02Å; K19-E21 PolarHBondContact O-N 3.22Å; E21-I25 VanDerWaalsContact O-CD1 3.3Å; E21-I25 WeakPolarHBondContact O-CD1 3.31Å; E21-I25 WeakPolarHBondContact O-CG1 3.5Å; E21-I25 PolarHBondContact O-N 3.42Å; E21-R67 IonicContact OE1-NH1 3.22Å; E21-R67 PolarHBondContact OE1-NH1 3.33Å; E21-R67 VanDerWaalsContact OE1-NH1 3.16Å; E21-R67 IonicContact OE2-NH1 3.66Å; E21-R67 PolarHBondContact OE2-NH1 2.84Å |
| 22 | I | 83.2 | Confident | 82.1 | Confident | 31 Ų | 31 | 90.2 Ų | 90.2 | 16% | 0.159 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -70.2 | -46.5 | 177.5 | -65.7 | -62.2 | 0 | 0 | 0 | 111.7 | W18 K19 F20 T24 I25 L26 | W18-I22 HydrophobicContact CG-CG1 4.45Å; W18-I22 HydrophobicContact CZ2-CG1 4.48Å; W18-I22 VanDerWaalsContact O-CG1 3.31Å; W18-I22 WeakPolarHBondContact O-CG1 3.36Å; W18-I22 PolarHBondContact O-N 3.41Å; K19-I22 PolarHBondContact O-N 3.32Å; F20-I22 VanDerWaalsContact C-N 3.33Å; F20-I22 PolarHBondContact O-N 2.68Å; I22-T24 VanDerWaalsContact C-N 3.33Å; I22-T24 PolarHBondContact O-N 3.24Å; I22-I25 PolarHBondContact O-N 3.14Å; I22-I25 VanDerWaalsContact O-N 3.15Å; I22-L26 HydrophobicContact CG2-CD1 3.8Å; I22-L26 HydrophobicContact CG2-CG 4.21Å; I22-L26 WeakPolarHBondContact O-CG 3.4Å; I22-L26 PolarHBondContact O-N 2.89Å |
| 23 | E | 86.2 | Confident | 82.6 | Confident | 53 Ų | 53 | 88.2 Ų | 88.2 | 25% | 0.248 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 178 | -69.4 | 176.7 | 145.6 | 0 | 0 | 110.9 | K19 F20 I25 L26 E27 V35 | K19-E23 VanDerWaalsContact CE-CD 3.42Å; K19-E23 WeakPolarHBondContact CE-OE1 3.15Å; K19-E23 HydrophobicContact CG-CG 4.21Å; K19-E23 IonicContact NZ-OE1 2.85Å; K19-E23 VanDerWaalsContact O-CG 3.29Å; K19-E23 WeakPolarHBondContact O-CG 3.29Å; K19-E23 PolarHBondContact O-N 2.94Å; F20-E23 PolarHBondContact O-N 2.97Å; E23-I25 VanDerWaalsContact C-N 3.3Å; E23-I25 PolarHBondContact O-N 3.04Å; E23-L26 PolarHBondContact O-N 2.86Å; E23-E27 WeakPolarHBondContact O-CB 3.49Å; E23-E27 WeakPolarHBondContact O-CG 3.33Å; E23-E27 PolarHBondContact O-N 2.91Å; E23-V35 HydrophobicContact CB-CG1 4.22Å; E23-V35 HydrophobicContact CG-CG1 3.97Å |
| 24 | T | 84.7 | Confident | 82.6 | Confident | 59 Ų | 59 | 82.1 Ų | 82.1 | 36% | 0.362 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60 | -40 | 177.6 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | F20 I22 A28 | F20-T24 WeakPolarHBondContact O-CB 3.39Å; F20-T24 PolarHBondContact O-N 3.47Å; F20-T24 PolarHBondContact O-OG1 3.36Å; I22-T24 VanDerWaalsContact C-N 3.33Å; I22-T24 PolarHBondContact O-N 3.24Å; T24-A28 WeakPolarHBondContact O-CB 3.3Å; T24-A28 PolarHBondContact O-N 2.85Å |
| 25 | I | 83.1 | Confident | 82.4 | Confident | 57 Ų | 57 | 80.6 Ų | 80.6 | 29% | 0.292 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.6 | -42 | 179.2 | -71.8 | 168.2 | 0 | 0 | 0 | 110.9 | E21 I22 E23 A28 R29 L63 | E21-I25 VanDerWaalsContact O-CD1 3.3Å; E21-I25 WeakPolarHBondContact O-CD1 3.31Å; E21-I25 WeakPolarHBondContact O-CG1 3.5Å; E21-I25 PolarHBondContact O-N 3.42Å; I22-I25 PolarHBondContact O-N 3.14Å; I22-I25 VanDerWaalsContact O-N 3.15Å; E23-I25 VanDerWaalsContact C-N 3.3Å; E23-I25 PolarHBondContact O-N 3.04Å; I25-A28 PolarHBondContact O-N 3.22Å; I25-R29 VanDerWaalsContact O-CG 3.25Å; I25-R29 WeakPolarHBondContact O-CG 2.77Å; I25-R29 PolarHBondContact O-N 2.88Å; I25-L63 HydrophobicContact CB-CD1 4.39Å; I25-L63 HydrophobicContact CD1-CD1 3.67Å; I25-L63 HydrophobicContact CD1-CD2 4.22Å; I25-L63 HydrophobicContact CD1-CG 4.42Å; I25-L63 HydrophobicContact CG1-CD1 4.45Å; I25-L63 HydrophobicContact CG2-CD1 3.42Å; I25-L63 VanDerWaalsContact CG2-CD1 3.42Å |
| 26 | L | 84.4 | Confident | 82.2 | Confident | 20 Ų | 20 | 79.3 Ų | 79.3 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 178.4 | -70.6 | 174.8 | 0 | 0 | 0 | 110.7 | I22 E23 R29 D30 C31 L34 V35 C56 | I22-L26 HydrophobicContact CG2-CD1 3.8Å; I22-L26 HydrophobicContact CG2-CG 4.21Å; I22-L26 WeakPolarHBondContact O-CG 3.4Å; I22-L26 PolarHBondContact O-N 2.89Å; E23-L26 PolarHBondContact O-N 2.86Å; L26-R29 CarbonylContact O-C 3.58Å; L26-R29 PolarHBondContact O-N 3.33Å; L26-R29 VanDerWaalsContact O-N 3.15Å; L26-D30 PolarHBondContact O-N 3.15Å; L26-C31 HydrophobicContact CB-CB 4.13Å; L26-C31 HydrophobicContact CD2-CB 3.8Å; L26-C31 PolarHBondContact O-N 3.21Å; L26-L34 HydrophobicContact CD1-CB 4.18Å; L26-L34 HydrophobicContact CD2-CD1 4.11Å; L26-V35 HydrophobicContact CB-CG2 3.52Å; L26-V35 HydrophobicContact CD1-CG2 3.94Å; L26-V35 HydrophobicContact CG-CG2 4.39Å; L26-C56 HydrophobicContact CD2-CB 4.48Å |
| 27 | E | 84.5 | Confident | 81.4 | Confident | 113 Ų | 113 | 75.5 Ų | 75.5 | 53% | 0.528 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 173.2 | -75 | 179 | -177.2 | 0 | 0 | 112.2 | E23 R29 D30 V35 | E23-E27 WeakPolarHBondContact O-CB 3.49Å; E23-E27 WeakPolarHBondContact O-CG 3.33Å; E23-E27 PolarHBondContact O-N 2.91Å; E27-R29 PolarHBondContact O-N 3.3Å; E27-D30 PolarHBondContact O-N 3Å; E27-D30 VanDerWaalsContact O-N 3.14Å; E27-V35 HydrophobicContact CG-CG2 4.37Å |
| 28 | A | 83.7 | Confident | 80.6 | Confident | 81 Ų | 81 | 76.5 Ų | 76.5 | 67% | 0.669 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -8.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T24 I25 | T24-A28 WeakPolarHBondContact O-CB 3.3Å; T24-A28 PolarHBondContact O-N 2.85Å; I25-A28 PolarHBondContact O-N 3.22Å |
| 29 | R | 83.1 | Confident | 79.8 | Confident | 170 Ų | 170 | 73.2 Ų | 73.2 | 64% | 0.642 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | 11.4 | 179.8 | -65.9 | -68 | -173.9 | 169.1 | -1.6 | 112.8 | I25 L26 E27 C31 | I25-R29 VanDerWaalsContact O-CG 3.25Å; I25-R29 WeakPolarHBondContact O-CG 2.77Å; I25-R29 PolarHBondContact O-N 2.88Å; L26-R29 CarbonylContact O-C 3.58Å; L26-R29 PolarHBondContact O-N 3.33Å; L26-R29 VanDerWaalsContact O-N 3.15Å; E27-R29 PolarHBondContact O-N 3.3Å; R29-C31 PolarHBondContact O-N 3.03Å |
| 30 | D | 82.1 | Confident | 78.5 | Confident | 149 Ų | 149 | 76.4 Ų | 76.4 | 80% | 0.797 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 18.1 | -175.5 | -59.7 | -45.6 | 0 | 0 | 0 | 114.3 | L26 E27 S32 | L26-D30 PolarHBondContact O-N 3.15Å; E27-D30 PolarHBondContact O-N 3Å; E27-D30 VanDerWaalsContact O-N 3.14Å; D30-S32 PolarHBondContact O-N 3.34Å |
| 31 | C | 81.8 | Confident | 77.1 | Confident | 9 Ų | 9 | 74.2 Ų | 74.2 | 6% | 0.061 | 42% | 0.416 | C | S | . | . | trans | -88 | 40.5 | 174.3 | -47.3 | 0 | 0 | 0 | 0 | 111.7 | L26 R29 D33 L34 C56 | L26-C31 HydrophobicContact CB-CB 4.13Å; L26-C31 HydrophobicContact CD2-CB 3.8Å; L26-C31 PolarHBondContact O-N 3.21Å; R29-C31 PolarHBondContact O-N 3.03Å; C31-D33 VanDerWaalsContact CA-OD1 3.27Å; C31-D33 WeakPolarHBondContact CA-OD1 3.43Å; C31-D33 PolarHBondContact O-N 3.3Å; C31-L34 HydrophobicContact CB-CD1 4.1Å; C31-L34 HydrophobicContact CB-CG 4.42Å; C31-L34 PolarHBondContact O-N 2.73Å; C31-C56 HydrophobicContact CB-CB 4Å; C31-C56 WeakPolarHBondContact CB-SG 3.48Å; C31-C56 WeakPolarHBondContact SG-CB 3.25Å; C31-C56 CovalentContact SG-SG 2.06Å; C31-C56 PolarHBondContact SG-SG 2.94Å | ||
| 32 | S | 78.4 | Confident | 75.7 | Confident | 68 Ų | 68 | 74 Ų | 74 | 48% | 0.476 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.8 | -22.2 | -175.4 | 62 | 0 | 0 | 0 | 0 | 114.1 | D30 L34 V35 S36 | D30-S32 PolarHBondContact O-N 3.34Å; S32-L34 VanDerWaalsContact C-N 3.32Å; S32-V35 WeakPolarHBondContact O-CB 3.49Å; S32-V35 PolarHBondContact O-N 3.32Å; S32-S36 PolarHBondContact O-N 3.07Å; S32-S36 VanDerWaalsContact O-N 3.08Å; S32-S36 PolarHBondContact O-OG 3.49Å |
| 33 | D | 77.3 | Confident | 74 | Confident | 57 Ų | 57 | 76.5 Ų | 76.5 | 31% | 0.305 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 170.9 | 60.8 | -43.4 | 0 | 0 | 0 | 112 | C31 G37 T39 | C31-D33 VanDerWaalsContact CA-OD1 3.27Å; C31-D33 WeakPolarHBondContact CA-OD1 3.43Å; C31-D33 PolarHBondContact O-N 3.3Å; D33-G37 PolarHBondContact O-N 2.96Å; D33-T39 HydrophobicContact CB-CG2 4.32Å; D33-T39 PolarHBondContact O-OG1 2.69Å |
| 34 | L | 76.9 | Confident | 72.2 | Confident | 30 Ų | 30 | 81.4 Ų | 81.4 | 16% | 0.157 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -71 | -33.2 | 174.9 | -62.4 | -177.3 | 0 | 0 | 0 | 112.6 | L26 C31 S32 G37 T39 C56 Y57 | L26-L34 HydrophobicContact CD1-CB 4.18Å; L26-L34 HydrophobicContact CD2-CD1 4.11Å; C31-L34 HydrophobicContact CB-CD1 4.1Å; C31-L34 HydrophobicContact CB-CG 4.42Å; C31-L34 PolarHBondContact O-N 2.73Å; S32-L34 VanDerWaalsContact C-N 3.32Å; L34-G37 PolarHBondContact O-N 3.38Å; L34-T39 WeakPolarHBondContact CA-OG1 3.37Å; L34-T39 HydrophobicContact CD2-CG2 4.21Å; L34-T39 VanDerWaalsContact CD2-OG1 3.25Å; L34-T39 WeakPolarHBondContact CD2-OG1 3.15Å; L34-C56 HydrophobicContact CD1-CB 3.34Å; L34-Y57 HydrophobicContact CD2-CE2 4.36Å |
| 35 | V | 75.1 | Confident | 70.6 | Confident | 38 Ų | 38 | 81.6 Ų | 81.6 | 23% | 0.23 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -67.6 | -41 | 177 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | E23 L26 E27 S32 G37 | E23-V35 HydrophobicContact CB-CG1 4.22Å; E23-V35 HydrophobicContact CG-CG1 3.97Å; L26-V35 HydrophobicContact CB-CG2 3.52Å; L26-V35 HydrophobicContact CD1-CG2 3.94Å; L26-V35 HydrophobicContact CG-CG2 4.39Å; E27-V35 HydrophobicContact CG-CG2 4.37Å; S32-V35 WeakPolarHBondContact O-CB 3.49Å; S32-V35 PolarHBondContact O-N 3.32Å; V35-G37 PolarHBondContact O-N 3.29Å |
| 36 | S | 74.8 | Confident | 69.1 | Low | 77 Ų | 77 | 86.6 Ų | 86.6 | 54% | 0.538 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.2 | -16.7 | -178.7 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | S32 E38 | S32-S36 PolarHBondContact O-N 3.07Å; S32-S36 VanDerWaalsContact O-N 3.08Å; S32-S36 PolarHBondContact O-OG 3.49Å; S36-E38 PolarHBondContact O-N 3.44Å |
| 37 | G | 67.6 | Low | 67.7 | Low | 51 Ų | 51 | 92.5 Ų | 92.5 | 53% | 0.526 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 14.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D33 L34 V35 T39 | D33-G37 PolarHBondContact O-N 2.96Å; L34-G37 PolarHBondContact O-N 3.38Å; V35-G37 PolarHBondContact O-N 3.29Å; G37-T39 VanDerWaalsContact C-N 3.3Å |
| 38 | E | 67.6 | Low | 66.3 | Low | 159 Ų | 159 | 96.8 Ų | 96.8 | 74% | 0.743 | 57% | 0.565 | S | S | * | * | trans | -72.2 | -30.1 | 177 | -66 | -174.9 | 174.4 | 0 | 0 | 111 | S36 L40 | S36-E38 PolarHBondContact O-N 3.44Å; E38-L40 PolarHBondContact O-N 3.08Å; E38-L40 VanDerWaalsContact O-N 3.07Å | ||
| 39 | T | 64.8 | Low | 65.2 | Low | 34 Ų | 34 | 96.2 Ų | 96.2 | 21% | 0.209 | 55% | 0.553 | C | S | . | * | S | Bend | trans | -71.8 | 97.7 | 168.4 | 39.1 | 0 | 0 | 0 | 0 | 109.4 | D33 L34 G37 C41 | D33-T39 HydrophobicContact CB-CG2 4.32Å; D33-T39 PolarHBondContact O-OG1 2.69Å; L34-T39 WeakPolarHBondContact CA-OG1 3.37Å; L34-T39 HydrophobicContact CD2-CG2 4.21Å; L34-T39 VanDerWaalsContact CD2-OG1 3.25Å; L34-T39 WeakPolarHBondContact CD2-OG1 3.15Å; G37-T39 VanDerWaalsContact C-N 3.3Å; T39-C41 PolarHBondContact O-N 3.26Å; T39-C41 VanDerWaalsContact O-N 3.12Å |
| 40 | L | 58.1 | Low | 64.1 | Low | 153 Ų | 153 | 90.1 Ų | 90.1 | 80% | 0.801 | 54% | 0.536 | S | S | * | . | trans | -58.4 | 119.2 | 165.3 | -68.8 | 173 | 0 | 0 | 0 | 107.5 | E38 S42 | E38-L40 PolarHBondContact O-N 3.08Å; E38-L40 VanDerWaalsContact O-N 3.07Å; L40-S42 VanDerWaalsContact C-N 3.28Å; L40-S42 PolarHBondContact O-N 3.23Å | ||
| 41 | C | 55.8 | Low | 63.2 | Low | 88 Ų | 88 | 88.5 Ų | 88.5 | 60% | 0.595 | 53% | 0.533 | S | S | * | . | trans | -64.2 | 96.7 | 167.3 | -165.7 | 0 | 0 | 0 | 0 | 106.5 | T39 A43 | T39-C41 PolarHBondContact O-N 3.26Å; T39-C41 VanDerWaalsContact O-N 3.12Å; C41-A43 PolarHBondContact O-N 2.06Å | ||
| 42 | S | 55.6 | Low | 62.3 | Low | 57 Ų | 57 | 96 Ų | 96 | 40% | 0.399 | 57% | 0.567 | S | S | . | * | trans | -53.6 | 117.1 | 174.5 | -71.9 | 0 | 0 | 0 | 0 | 106.5 | L40 V44 E47 | L40-S42 VanDerWaalsContact C-N 3.28Å; L40-S42 PolarHBondContact O-N 3.23Å; S42-V44 PolarHBondContact O-N 3.26Å; S42-E47 WeakPolarHBondContact CB-OE2 3.27Å; S42-E47 PolarHBondContact OG-OE2 3.21Å | ||
| 43 | A | 47.9 | Very low | 61.4 | Low | 83 Ų | 83 | 95.3 Ų | 95.3 | 69% | 0.686 | 56% | 0.557 | S | S | * | * | trans | -45.3 | 130.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | C41 G45 | C41-A43 PolarHBondContact O-N 2.06Å; A43-G45 VanDerWaalsContact C-N 3.35Å; A43-G45 WeakPolarHBondContact O-CA 3.18Å; A43-G45 PolarHBondContact O-N 3.26Å | ||
| 44 | V | 49.7 | Very low | 60.9 | Low | 157 Ų | 157 | 96.5 Ų | 96.5 | 95% | 0.952 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.1 | 99.9 | 176.8 | 171.4 | 0 | 0 | 0 | 0 | 108.4 | S42 | S42-V44 PolarHBondContact O-N 3.26Š|
| 45 | G | 50 | Low | 60.5 | Low | 63 Ų | 63 | 97 Ų | 97 | 65% | 0.649 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -174.7 | -77.5 | -154.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A43 | A43-G45 VanDerWaalsContact C-N 3.35Å; A43-G45 WeakPolarHBondContact O-CA 3.18Å; A43-G45 PolarHBondContact O-N 3.26Å |
| 46 | D | 51.6 | Low | 60.4 | Low | 162 Ų | 162 | 96.1 Ų | 96.1 | 87% | 0.866 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -154 | 3.4 | -166.9 | -133.3 | -89.3 | 0 | 0 | 0 | 117.9 | ||
| 47 | E | 54.5 | Low | 59.9 | Low | 144 Ų | 144 | 96.3 Ų | 96.3 | 67% | 0.673 | 56% | 0.558 | S | S | * | * | trans | -103.1 | 130.2 | -178.1 | -104.4 | 178.2 | 131.9 | 0 | 0 | 113.7 | S42 V49 | S42-E47 WeakPolarHBondContact CB-OE2 3.27Å; S42-E47 PolarHBondContact OG-OE2 3.21Å; E47-V49 VanDerWaalsContact C-N 3.32Å; E47-V49 PolarHBondContact O-N 3.27Å | ||
| 48 | K | 56.9 | Low | 59.9 | Low | 203 Ų | 203 | 102.3 Ų | 102.3 | 88% | 0.883 | 56% | 0.564 | S | S | * | * | trans | -55 | 96.9 | 167.9 | -68.8 | -179.3 | 178.1 | 179.4 | 0 | 107.8 | S50 | K48-S50 PolarHBondContact O-N 2.93Å; K48-S50 VanDerWaalsContact O-N 3.16Å | ||
| 49 | V | 59.6 | Low | 59.6 | Low | 69 Ų | 69 | 96.8 Ų | 96.8 | 42% | 0.418 | 54% | 0.539 | S | S | . | . | trans | -50.8 | 124.5 | 162.5 | -175.5 | 0 | 0 | 0 | 0 | 105.9 | E47 E53 E54 Y57 | E47-V49 VanDerWaalsContact C-N 3.32Å; E47-V49 PolarHBondContact O-N 3.27Å; V49-E53 HydrophobicContact CG1-CB 3.54Å; V49-E54 HydrophobicContact CB-CB 4.39Å; V49-E54 HydrophobicContact CG1-CB 3.78Å; V49-Y57 HydrophobicContact CG1-CD2 4.35Å | ||
| 50 | S | 60.6 | Low | 59.5 | Low | 41 Ų | 41 | 96.1 Ų | 96.1 | 29% | 0.287 | 54% | 0.537 | S | S | . | . | trans | -59.1 | 146.8 | 175.4 | 67.3 | 0 | 0 | 0 | 0 | 108.4 | K48 E52 E53 E54 | K48-S50 PolarHBondContact O-N 2.93Å; K48-S50 VanDerWaalsContact O-N 3.16Å; S50-E52 PolarHBondContact O-N 3.06Å; S50-E53 VanDerWaalsContact CB-OE2 3.3Å; S50-E53 WeakPolarHBondContact CB-OE2 3.2Å; S50-E53 PolarHBondContact N-OE2 2.75Å; S50-E53 PolarHBondContact O-N 3.26Å; S50-E53 WeakPolarHBondContact OG-CB 3.25Å; S50-E53 VanDerWaalsContact OG-CD 3.24Å; S50-E53 WeakPolarHBondContact OG-CG 3.25Å; S50-E53 PolarHBondContact OG-N 3.21Å; S50-E53 PolarHBondContact OG-OE2 2.67Å; S50-E54 PolarHBondContact O-N 2.7Å | ||
| 51 | P | 62.7 | Low | 59.6 | Low | 115 Ų | 115 | 93.8 Ų | 93.8 | 75% | 0.747 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -54.6 | -27.9 | -177.6 | -25.5 | 33.1 | 0 | 0 | 0 | 113.5 | G55 | P51-G55 PolarHBondContact O-N 3.12Å |
| 52 | E | 62.1 | Low | 59.8 | Low | 166 Ų | 166 | 96.8 Ų | 96.8 | 78% | 0.776 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.4 | -48.8 | 176.8 | -64.2 | 179 | 166.2 | 0 | 0 | 111.4 | S50 E54 G55 C56 | S50-E52 PolarHBondContact O-N 3.06Å; E52-E54 VanDerWaalsContact C-N 3.34Å; E52-E54 PolarHBondContact O-N 3.07Å; E52-G55 WeakPolarHBondContact O-CA 3.34Å; E52-G55 PolarHBondContact O-N 3.45Å; E52-G55 VanDerWaalsContact O-N 3.15Å; E52-C56 PolarHBondContact O-N 3.4Å; E52-C56 VanDerWaalsContact O-N 3.16Å |
| 53 | E | 60.7 | Low | 59.9 | Low | 55 Ų | 55 | 97.1 Ų | 97.1 | 26% | 0.257 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 174.8 | -70.7 | 167.7 | 125.2 | 0 | 0 | 111.8 | V49 S50 G55 C56 Y57 | V49-E53 HydrophobicContact CG1-CB 3.54Å; S50-E53 VanDerWaalsContact CB-OE2 3.3Å; S50-E53 WeakPolarHBondContact CB-OE2 3.2Å; S50-E53 PolarHBondContact N-OE2 2.75Å; S50-E53 PolarHBondContact O-N 3.26Å; S50-E53 WeakPolarHBondContact OG-CB 3.25Å; S50-E53 VanDerWaalsContact OG-CD 3.24Å; S50-E53 WeakPolarHBondContact OG-CG 3.25Å; S50-E53 PolarHBondContact OG-N 3.21Å; S50-E53 PolarHBondContact OG-OE2 2.67Å; E53-G55 PolarHBondContact O-N 3.02Å; E53-C56 PolarHBondContact O-N 3.14Å; E53-C56 VanDerWaalsContact O-N 3.15Å; E53-Y57 VanDerWaalsContact O-CD2 3.22Å; E53-Y57 WeakPolarHBondContact O-CD2 3.41Å; E53-Y57 PolarHBondContact O-N 3.15Å |
| 54 | E | 67.2 | Low | 60.4 | Low | 82 Ų | 82 | 96 Ų | 96 | 38% | 0.383 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -36.2 | 177.4 | -166.3 | -174.1 | 164.8 | 0 | 0 | 110.5 | V49 S50 E52 R58 | V49-E54 HydrophobicContact CB-CB 4.39Å; V49-E54 HydrophobicContact CG1-CB 3.78Å; S50-E54 PolarHBondContact O-N 2.7Å; E52-E54 VanDerWaalsContact C-N 3.34Å; E52-E54 PolarHBondContact O-N 3.07Å; E54-R58 HydrophobicContact CG-CG 4.43Å; E54-R58 WeakPolarHBondContact O-CB 3.45Å; E54-R58 WeakPolarHBondContact O-CG 3.22Å; E54-R58 PolarHBondContact O-N 2.97Å; E54-R58 IonicContact OE1-CZ 3Å; E54-R58 IonicContact OE1-NE 3.76Å; E54-R58 PolarHBondContact OE1-NE 3.16Å; E54-R58 IonicContact OE1-NH2 3.16Å; E54-R58 PolarHBondContact OE1-NH2 3.15Å |
| 55 | G | 67.7 | Low | 60.6 | Low | 40 Ų | 40 | 94.2 Ų | 94.2 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.1 | -50.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P51 E52 E53 Q59 | P51-G55 PolarHBondContact O-N 3.12Å; E52-G55 WeakPolarHBondContact O-CA 3.34Å; E52-G55 PolarHBondContact O-N 3.45Å; E52-G55 VanDerWaalsContact O-N 3.15Å; E53-G55 PolarHBondContact O-N 3.02Å; G55-Q59 VanDerWaalsContact O-CB 3.25Å; G55-Q59 WeakPolarHBondContact O-CB 3.41Å; G55-Q59 PolarHBondContact O-N 3.22Å; G55-Q59 VanDerWaalsContact O-N 3.14Å |
| 56 | C | 72.5 | Confident | 60.6 | Low | 20 Ų | 20 | 97 Ų | 97 | 14% | 0.135 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 178.5 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | L26 C31 L34 E52 E53 Q59 A60 | L26-C56 HydrophobicContact CD2-CB 4.48Å; C31-C56 HydrophobicContact CB-CB 4Å; C31-C56 WeakPolarHBondContact CB-SG 3.48Å; C31-C56 WeakPolarHBondContact SG-CB 3.25Å; C31-C56 CovalentContact SG-SG 2.06Å; C31-C56 PolarHBondContact SG-SG 2.94Å; L34-C56 HydrophobicContact CD1-CB 3.34Å; E52-C56 PolarHBondContact O-N 3.4Å; E52-C56 VanDerWaalsContact O-N 3.16Å; E53-C56 PolarHBondContact O-N 3.14Å; E53-C56 VanDerWaalsContact O-N 3.15Å; C56-Q59 PolarHBondContact O-N 3.35Å; C56-A60 PolarHBondContact O-N 3.03Å |
| 57 | Y | 65.8 | Low | 60.4 | Low | 81 Ų | 81 | 99.5 Ų | 99.5 | 32% | 0.318 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 179.1 | -84.4 | -68.8 | 0 | 0 | 0 | 113.4 | L34 V49 E53 Q59 A60 N61 | L34-Y57 HydrophobicContact CD2-CE2 4.36Å; V49-Y57 HydrophobicContact CG1-CD2 4.35Å; E53-Y57 VanDerWaalsContact O-CD2 3.22Å; E53-Y57 WeakPolarHBondContact O-CD2 3.41Å; E53-Y57 PolarHBondContact O-N 3.15Å; Y57-Q59 PolarHBondContact O-N 3.33Å; Y57-A60 PolarHBondContact O-N 2.86Å; Y57-N61 PolarHBondContact O-N 2.83Å |
| 58 | R | 66 | Low | 60.7 | Low | 176 Ų | 176 | 97.3 Ų | 97.3 | 66% | 0.664 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.1 | -35.4 | 176.9 | -76.3 | -174.1 | -176.1 | -119.6 | 5.7 | 111.1 | E54 R62 | E54-R58 HydrophobicContact CG-CG 4.43Å; E54-R58 WeakPolarHBondContact O-CB 3.45Å; E54-R58 WeakPolarHBondContact O-CG 3.22Å; E54-R58 PolarHBondContact O-N 2.97Å; E54-R58 IonicContact OE1-CZ 3Å; E54-R58 IonicContact OE1-NE 3.76Å; E54-R58 PolarHBondContact OE1-NE 3.16Å; E54-R58 IonicContact OE1-NH2 3.16Å; E54-R58 PolarHBondContact OE1-NH2 3.15Å; R58-R62 PolarHBondContact O-N 3.23Å |
| 59 | Q | 63.1 | Low | 60.9 | Low | 43 Ų | 43 | 91.7 Ų | 91.7 | 20% | 0.201 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -74.4 | -43.8 | -178.4 | -172.9 | 52.7 | 29.2 | 0 | 0 | 112.9 | G55 C56 Y57 N61 R62 L63 | G55-Q59 VanDerWaalsContact O-CB 3.25Å; G55-Q59 WeakPolarHBondContact O-CB 3.41Å; G55-Q59 PolarHBondContact O-N 3.22Å; G55-Q59 VanDerWaalsContact O-N 3.14Å; C56-Q59 PolarHBondContact O-N 3.35Å; Y57-Q59 PolarHBondContact O-N 3.33Å; Q59-N61 VanDerWaalsContact C-N 3.3Å; Q59-N61 PolarHBondContact O-N 2.99Å; Q59-R62 VanDerWaalsContact CD-NH2 3.3Å; Q59-R62 PolarHBondContact O-N 2.63Å; Q59-L63 HydrophobicContact CG-CD1 4.31Å; Q59-L63 WeakPolarHBondContact O-CD1 3.17Å; Q59-L63 WeakPolarHBondContact O-CG 3.44Å; Q59-L63 PolarHBondContact O-N 3.06Å |
| 60 | A | 62.3 | Low | 60.9 | Low | 21 Ų | 21 | 92.9 Ų | 92.9 | 17% | 0.174 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | C56 Y57 L63 T64 | C56-A60 PolarHBondContact O-N 3.03Å; Y57-A60 PolarHBondContact O-N 2.86Å; A60-L63 PolarHBondContact O-N 3.16Å; A60-T64 PolarHBondContact O-N 3.43Å; A60-T64 PolarHBondContact O-OG1 2.72Å |
| 61 | N | 59.4 | Low | 60.9 | Low | 103 Ų | 103 | 96 Ų | 96 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 174.5 | -78 | -18.7 | 0 | 0 | 0 | 112.3 | Y57 Q59 L63 T64 V65 | Y57-N61 PolarHBondContact O-N 2.83Å; Q59-N61 VanDerWaalsContact C-N 3.3Å; Q59-N61 PolarHBondContact O-N 2.99Å; N61-L63 VanDerWaalsContact C-N 3.27Å; N61-L63 PolarHBondContact O-N 2.93Å; N61-T64 PolarHBondContact O-N 2.99Å; N61-V65 WeakPolarHBondContact O-CG2 3.3Å; N61-V65 PolarHBondContact O-N 2.85Å |
| 62 | R | 61 | Low | 60.8 | Low | 152 Ų | 152 | 94.8 Ų | 94.8 | 57% | 0.574 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.1 | -39.5 | 176.3 | -170 | 174.8 | 74.9 | -172.7 | -0.2 | 112.2 | R58 Q59 T66 | R58-R62 PolarHBondContact O-N 3.23Å; Q59-R62 VanDerWaalsContact CD-NH2 3.3Å; Q59-R62 PolarHBondContact O-N 2.63Å; R62-T66 PolarHBondContact O-N 3.09Å; R62-T66 PolarHBondContact O-OG1 2.65Å |
| 63 | L | 57.6 | Low | 60.8 | Low | 64 Ų | 64 | 90.1 Ų | 90.1 | 34% | 0.335 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -71.1 | -35.2 | 179 | -69.2 | 159.2 | 0 | 0 | 0 | 112.6 | I25 Q59 A60 N61 | I25-L63 HydrophobicContact CB-CD1 4.39Å; I25-L63 HydrophobicContact CD1-CD1 3.67Å; I25-L63 HydrophobicContact CD1-CD2 4.22Å; I25-L63 HydrophobicContact CD1-CG 4.42Å; I25-L63 HydrophobicContact CG1-CD1 4.45Å; I25-L63 HydrophobicContact CG2-CD1 3.42Å; I25-L63 VanDerWaalsContact CG2-CD1 3.42Å; Q59-L63 HydrophobicContact CG-CD1 4.31Å; Q59-L63 WeakPolarHBondContact O-CD1 3.17Å; Q59-L63 WeakPolarHBondContact O-CG 3.44Å; Q59-L63 PolarHBondContact O-N 3.06Å; A60-L63 PolarHBondContact O-N 3.16Å; N61-L63 VanDerWaalsContact C-N 3.27Å; N61-L63 PolarHBondContact O-N 2.93Å |
| 64 | T | 57.2 | Low | 60.8 | Low | 59 Ų | 59 | 92.6 Ų | 92.6 | 36% | 0.362 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -74.2 | -32.2 | 179 | -50.3 | 0 | 0 | 0 | 0 | 112.3 | W18 A60 N61 | W18-T64 HydrophobicContact CZ2-CG2 4.15Å; A60-T64 PolarHBondContact O-N 3.43Å; A60-T64 PolarHBondContact O-OG1 2.72Å; N61-T64 PolarHBondContact O-N 2.99Å |
| 65 | V | 53.6 | Low | 60.3 | Low | 120 Ų | 120 | 93.4 Ų | 93.4 | 73% | 0.727 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -85.4 | -23.2 | -177.7 | 176.3 | 0 | 0 | 0 | 0 | 113.7 | N61 R67 | N61-V65 WeakPolarHBondContact O-CG2 3.3Å; N61-V65 PolarHBondContact O-N 2.85Å; V65-R67 PolarHBondContact O-N 2.74Å |
| 66 | T | 50.8 | Low | 59.6 | Low | 120 Ų | 120 | 97.8 Ų | 97.8 | 74% | 0.736 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 9.1 | -176.5 | -41.8 | 0 | 0 | 0 | 0 | 113.2 | R62 | R62-T66 PolarHBondContact O-N 3.09Å; R62-T66 PolarHBondContact O-OG1 2.65Å |
| 67 | R | 46.7 | Very low | 58.5 | Low | 215 Ų | 215 | 104.9 Ų | 104.9 | 81% | 0.811 | 50% | 0.496 | S | S | * | . | trans | -127.3 | 0 | -179 | -169.4 | 176.8 | -177.6 | 167.9 | -0.5 | 111 | E21 V65 | E21-R67 IonicContact OE1-NH1 3.22Å; E21-R67 PolarHBondContact OE1-NH1 3.33Å; E21-R67 VanDerWaalsContact OE1-NH1 3.16Å; E21-R67 IonicContact OE2-NH1 3.66Å; E21-R67 PolarHBondContact OE2-NH1 2.84Å; V65-R67 PolarHBondContact O-N 2.74Å |
Retrieved 67 of 67 residues in 23.2 ms
(Link to these results)