| 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 | 44.3 | Very low | 63.6 | Low | 225 Ų | 225 | 135.2 Ų | 135.2 | 100% | 1.108 | 69% | 0.692 | S | S | * | * | 0 | 104.2 | 0 | -73.1 | -158.6 | -180 | 0 | 0 | 108.6 | K3 | M1-K3 PolarHBondContact O-N 3.23Š| |||
| 2 | L | 53.7 | Low | 65.3 | Low | 184 Ų | 184 | 123.9 Ų | 123.9 | 96% | 0.963 | 63% | 0.634 | S | S | * | * | trans | -72.6 | 82.1 | 162.1 | -78.4 | 165.3 | 0 | 0 | 0 | 106.6 | A4 | L2-A4 PolarHBondContact O-N 3.4Š| ||
| 3 | K | 48.9 | Very low | 66.5 | Low | 178 Ų | 178 | 123.9 Ų | 123.9 | 77% | 0.774 | 62% | 0.623 | S | S | * | * | trans | -62.6 | 93.2 | 157.4 | -92.7 | -177.8 | 174.7 | 176.8 | 0 | 104.5 | M1 F5 | M1-K3 PolarHBondContact O-N 3.23Å; K3-F5 PolarHBondContact O-N 3.24Å | ||
| 4 | A | 56.1 | Low | 67.8 | Low | 90 Ų | 90 | 125.1 Ų | 125.1 | 74% | 0.744 | 62% | 0.622 | S | S | * | * | trans | -49.6 | 116.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 105.1 | L2 P6 | L2-A4 PolarHBondContact O-N 3.4Å; A4-P6 VanDerWaalsContact O-N 3.14Å | ||
| 5 | F | 54.8 | Low | 68.9 | Low | 190 Ų | 190 | 126.2 Ų | 126.2 | 83% | 0.833 | 62% | 0.616 | S | S | * | * | trans | -43.5 | 127.3 | 179.1 | -77.7 | -92.3 | 0 | 0 | 0 | 107.3 | K3 M7 | K3-F5 PolarHBondContact O-N 3.24Å; F5-M7 PolarHBondContact O-N 2.89Å | ||
| 6 | P | 63.2 | Low | 69.8 | Low | 117 Ų | 117 | 118.3 Ų | 118.3 | 76% | 0.76 | 58% | 0.577 | S | S | * | * | trans | -52.2 | 113.7 | 178.5 | 20.3 | -29.6 | 0 | 0 | 0 | 105.7 | A4 D8 | A4-P6 VanDerWaalsContact O-N 3.14Å; P6-D8 PolarHBondContact O-N 3.03Å | ||
| 7 | M | 65.1 | Low | 70.4 | Confident | 56 Ų | 56 | 114.6 Ų | 114.6 | 28% | 0.276 | 56% | 0.563 | S | S | . | * | trans | -53.2 | 117.7 | 178.6 | -176.5 | 175.2 | -67.6 | 0 | 0 | 104.9 | F5 K9 V11 A12 L37 L40 | F5-M7 PolarHBondContact O-N 2.89Å; M7-K9 PolarHBondContact O-N 3.35Å; M7-V11 HydrophobicContact CG-CB 4.21Å; M7-V11 HydrophobicContact CG-CG1 4Å; M7-V11 HydrophobicContact SD-CG1 4.42Å; M7-A12 HydrophobicContact CG-CB 4.08Å; M7-A12 HydrophobicContact SD-CB 3.95Å; M7-L37 HydrophobicContact SD-CD2 4.36Å; M7-L40 HydrophobicContact SD-CD1 4.29Å | ||
| 8 | D | 75.2 | Confident | 71.2 | Confident | 88 Ų | 88 | 113.1 Ų | 113.1 | 47% | 0.471 | 57% | 0.566 | S | S | . | * | trans | -49.3 | 130.4 | -178.1 | -178.6 | -47.7 | 0 | 0 | 0 | 107.4 | P6 F10 V11 A12 | P6-D8 PolarHBondContact O-N 3.03Å; D8-F10 PolarHBondContact O-N 3.21Å; D8-F10 WeakPolarHBondContact OD1-CA 3.3Å; D8-F10 WeakPolarHBondContact OD1-CB 3.4Å; D8-F10 WeakPolarHBondContact OD1-CD2 3.19Å; D8-F10 PolarHBondContact OD1-N 3.49Å; D8-V11 HydrophobicContact CB-CB 4.13Å; D8-V11 HydrophobicContact CB-CG2 3.86Å; D8-V11 CarbonylContact O-C 3.54Å; D8-V11 WeakPolarHBondContact O-CA 3.33Å; D8-V11 WeakPolarHBondContact O-CB 3.02Å; D8-V11 PolarHBondContact O-N 3.28Å; D8-A12 PolarHBondContact O-N 2.89Å | ||
| 9 | K | 76.4 | Confident | 71.8 | Confident | 136 Ų | 136 | 110.2 Ų | 110.2 | 59% | 0.591 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -51.6 | -35.2 | -177.6 | -65.4 | -179.2 | -177.3 | 179.6 | 0 | 111.3 | M7 Y13 | M7-K9 PolarHBondContact O-N 3.35Å; K9-Y13 VanDerWaalsContact O-CB 3.29Å; K9-Y13 WeakPolarHBondContact O-CB 3.47Å; K9-Y13 PolarHBondContact O-N 3.48Å |
| 10 | F | 78.8 | Confident | 72.3 | Confident | 158 Ų | 158 | 111.8 Ų | 111.8 | 69% | 0.693 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.8 | -38.2 | 174.4 | -65.6 | -76.5 | 0 | 0 | 0 | 112.5 | D8 K14 | D8-F10 PolarHBondContact O-N 3.21Å; D8-F10 WeakPolarHBondContact OD1-CA 3.3Å; D8-F10 WeakPolarHBondContact OD1-CB 3.4Å; D8-F10 WeakPolarHBondContact OD1-CD2 3.19Å; D8-F10 PolarHBondContact OD1-N 3.49Å; F10-K14 VanDerWaalsContact O-CB 3.31Å; F10-K14 WeakPolarHBondContact O-CB 3.26Å; F10-K14 VanDerWaalsContact O-CG 3.26Å; F10-K14 WeakPolarHBondContact O-CG 3.2Å; F10-K14 PolarHBondContact O-N 2.78Å |
| 11 | V | 83.4 | Confident | 72.8 | Confident | 65 Ų | 65 | 107.5 Ų | 107.5 | 39% | 0.394 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.2 | -43 | 175 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | M7 D8 K14 R15 | M7-V11 HydrophobicContact CG-CB 4.21Å; M7-V11 HydrophobicContact CG-CG1 4Å; M7-V11 HydrophobicContact SD-CG1 4.42Å; D8-V11 HydrophobicContact CB-CB 4.13Å; D8-V11 HydrophobicContact CB-CG2 3.86Å; D8-V11 CarbonylContact O-C 3.54Å; D8-V11 WeakPolarHBondContact O-CA 3.33Å; D8-V11 WeakPolarHBondContact O-CB 3.02Å; D8-V11 PolarHBondContact O-N 3.28Å; V11-K14 PolarHBondContact O-N 3.28Å; V11-R15 WeakPolarHBondContact O-CG 3.26Å; V11-R15 PolarHBondContact O-N 3.48Å |
| 12 | A | 83.4 | Confident | 74.6 | Confident | 0 Ų | 0 | 101.4 Ų | 101.4 | 0% | 0 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | M7 D8 R15 F16 L40 A41 | M7-A12 HydrophobicContact CG-CB 4.08Å; M7-A12 HydrophobicContact SD-CB 3.95Å; D8-A12 PolarHBondContact O-N 2.89Å; A12-R15 PolarHBondContact O-N 3.02Å; A12-F16 VanDerWaalsContact O-CB 3.32Å; A12-F16 WeakPolarHBondContact O-CB 3.34Å; A12-F16 PolarHBondContact O-N 2.8Å; A12-L40 HydrophobicContact CB-CB 3.79Å; A12-A41 HydrophobicContact CB-CB 4.02Å |
| 13 | Y | 80.8 | Confident | 75.8 | Confident | 124 Ų | 124 | 97.6 Ų | 97.6 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 174 | -178.3 | -102.6 | 0 | 0 | 0 | 112.1 | K9 R15 F16 V17 I44 | K9-Y13 VanDerWaalsContact O-CB 3.29Å; K9-Y13 WeakPolarHBondContact O-CB 3.47Å; K9-Y13 PolarHBondContact O-N 3.48Å; Y13-R15 VanDerWaalsContact C-N 3.29Å; Y13-R15 PolarHBondContact O-N 3.37Å; Y13-F16 WeakPolarHBondContact O-CB 3.37Å; Y13-F16 PolarHBondContact O-N 3.44Å; Y13-F16 VanDerWaalsContact O-N 3.15Å; Y13-V17 HydrophobicContact CD1-CG1 4.29Å; Y13-V17 HydrophobicContact CD2-CG1 4.3Å; Y13-V17 HydrophobicContact CE1-CG1 3.83Å; Y13-V17 HydrophobicContact CE2-CG1 3.83Å; Y13-V17 WeakPolarHBondContact O-CG2 3.42Å; Y13-V17 PolarHBondContact O-N 3.04Å; Y13-I44 HydrophobicContact CD2-CD1 4Å |
| 14 | K | 84.7 | Confident | 77.5 | Confident | 141 Ų | 141 | 96 Ų | 96 | 61% | 0.613 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57.9 | -41.1 | 175.6 | -82.4 | 180 | 178.5 | -178.4 | 0 | 112.1 | F10 V11 V17 S18 | F10-K14 VanDerWaalsContact O-CB 3.31Å; F10-K14 WeakPolarHBondContact O-CB 3.26Å; F10-K14 VanDerWaalsContact O-CG 3.26Å; F10-K14 WeakPolarHBondContact O-CG 3.2Å; F10-K14 PolarHBondContact O-N 2.78Å; V11-K14 PolarHBondContact O-N 3.28Å; K14-V17 WeakPolarHBondContact O-CG2 3.29Å; K14-S18 WeakPolarHBondContact O-CB 3.42Å; K14-S18 PolarHBondContact O-N 2.89Å; K14-S18 PolarHBondContact O-OG 3.04Å |
| 15 | R | 84.6 | Confident | 78.8 | Confident | 141 Ų | 141 | 93.4 Ų | 93.4 | 53% | 0.532 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67 | -45.8 | 174.3 | -74.9 | -174.3 | 179.2 | -165.8 | -0.1 | 111 | V11 A12 Y13 V17 S18 R19 L37 | V11-R15 WeakPolarHBondContact O-CG 3.26Å; V11-R15 PolarHBondContact O-N 3.48Å; A12-R15 PolarHBondContact O-N 3.02Å; Y13-R15 VanDerWaalsContact C-N 3.29Å; Y13-R15 PolarHBondContact O-N 3.37Å; R15-V17 VanDerWaalsContact C-N 3.34Å; R15-V17 PolarHBondContact O-N 2.75Å; R15-S18 CarbonylContact O-C 3.6Å; R15-S18 PolarHBondContact O-N 3.37Å; R15-S18 VanDerWaalsContact O-N 3.16Å; R15-R19 WeakPolarHBondContact O-CA 3.46Å; R15-R19 VanDerWaalsContact O-CB 3.22Å; R15-R19 WeakPolarHBondContact O-CB 3.3Å; R15-R19 PolarHBondContact O-N 2.81Å; R15-L37 HydrophobicContact CB-CD1 4.15Å; R15-L37 HydrophobicContact CB-CD2 3.84Å |
| 16 | F | 83.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 86.8 Ų | 86.8 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -56.3 | -43.7 | 177.6 | 177.4 | -95.2 | 0 | 0 | 0 | 112.8 | A12 Y13 L34 L37 A38 I44 C52 R56 | A12-F16 VanDerWaalsContact O-CB 3.32Å; A12-F16 WeakPolarHBondContact O-CB 3.34Å; A12-F16 PolarHBondContact O-N 2.8Å; Y13-F16 WeakPolarHBondContact O-CB 3.37Å; Y13-F16 PolarHBondContact O-N 3.44Å; Y13-F16 VanDerWaalsContact O-N 3.15Å; F16-L34 HydrophobicContact CD2-CB 4.41Å; F16-L34 HydrophobicContact CD2-CD2 3.62Å; F16-L34 WeakPolarHBondContact CD2-O 3.27Å; F16-L34 HydrophobicContact CE2-CB 4.05Å; F16-L34 HydrophobicContact CE2-CD2 3.69Å; F16-L34 HydrophobicContact CE2-CG 4.36Å; F16-L34 HydrophobicContact CG-CD2 4.41Å; F16-L37 HydrophobicContact CB-CB 4Å; F16-L37 HydrophobicContact CD2-CB 4.13Å; F16-A38 HydrophobicContact CD2-CB 4.21Å; F16-A38 HydrophobicContact CE2-CB 4.08Å; F16-I44 HydrophobicContact CD1-CD1 3.89Å; F16-I44 HydrophobicContact CE1-CD1 4.15Å; F16-I44 HydrophobicContact CG-CD1 4.14Å; F16-C52 HydrophobicContact CE1-CB 3.9Å; F16-C52 VanDerWaalsContact CE1-SG 3.55Å; F16-C52 HydrophobicContact CZ-CB 3.69Å; F16-R56 PolarHBondContact O-NH1 3.3Å |
| 17 | V | 80.6 | Confident | 81.3 | Confident | 56 Ų | 56 | 86.1 Ų | 86.1 | 34% | 0.339 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -78 | -26.4 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 113.4 | Y13 K14 R15 R56 | Y13-V17 HydrophobicContact CD1-CG1 4.29Å; Y13-V17 HydrophobicContact CD2-CG1 4.3Å; Y13-V17 HydrophobicContact CE1-CG1 3.83Å; Y13-V17 HydrophobicContact CE2-CG1 3.83Å; Y13-V17 WeakPolarHBondContact O-CG2 3.42Å; Y13-V17 PolarHBondContact O-N 3.04Å; K14-V17 WeakPolarHBondContact O-CG2 3.29Å; R15-V17 VanDerWaalsContact C-N 3.34Å; R15-V17 PolarHBondContact O-N 2.75Å; V17-R56 PolarHBondContact O-NH2 3.3Å |
| 18 | S | 84.9 | Confident | 82.3 | Confident | 87 Ų | 87 | 88.8 Ų | 88.8 | 61% | 0.608 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -86.4 | -22.1 | 178 | -57.1 | 0 | 0 | 0 | 0 | 113.1 | K14 R15 K20 | K14-S18 WeakPolarHBondContact O-CB 3.42Å; K14-S18 PolarHBondContact O-N 2.89Å; K14-S18 PolarHBondContact O-OG 3.04Å; R15-S18 CarbonylContact O-C 3.6Å; R15-S18 PolarHBondContact O-N 3.37Å; R15-S18 VanDerWaalsContact O-N 3.16Å; S18-K20 PolarHBondContact O-N 3.4Å |
| 19 | R | 83 | Confident | 82.9 | Confident | 58 Ų | 58 | 88.3 Ų | 88.3 | 22% | 0.219 | 44% | 0.44 | C | S | . | . | trans | -62.7 | 122.1 | -176.3 | -172 | 58 | 161.4 | 110.4 | -1.6 | 109 | R15 E25 F30 D33 L34 L37 R56 | R15-R19 WeakPolarHBondContact O-CA 3.46Å; R15-R19 VanDerWaalsContact O-CB 3.22Å; R15-R19 WeakPolarHBondContact O-CB 3.3Å; R15-R19 PolarHBondContact O-N 2.81Å; R19-E25 IonicContact CZ-OE1 3.77Å; R19-E25 IonicContact CZ-OE2 2.76Å; R19-E25 VanDerWaalsContact CZ-OE2 3.29Å; R19-E25 IonicContact NH1-OE1 3.18Å; R19-E25 IonicContact NH1-OE2 2.67Å; R19-E25 PolarHBondContact NH1-OE2 2.86Å; R19-E25 VanDerWaalsContact NH2-CD 3.32Å; R19-E25 IonicContact NH2-OE1 3.55Å; R19-E25 PolarHBondContact NH2-OE1 3.28Å; R19-E25 IonicContact NH2-OE2 3.29Å; R19-E25 PolarHBondContact NH2-OE2 3.38Å; R19-F30 HydrophobicContact CG-CD2 4.27Å; R19-F30 HydrophobicContact CG-CE2 3.98Å; R19-D33 IonicContact CZ-OD2 3.44Å; R19-D33 IonicContact NE-OD2 2.77Å; R19-D33 PolarHBondContact NE-OD2 3.37Å; R19-D33 IonicContact NH2-OD2 3.19Å; R19-D33 PolarHBondContact NH2-OD2 3.21Å; R19-L34 HydrophobicContact CB-CD2 3.94Å; R19-L34 HydrophobicContact CG-CD2 4.06Å; R19-L37 HydrophobicContact CB-CD1 4.42Å; R19-R56 WeakPolarHBondContact O-CD 3.21Å; R19-R56 PolarHBondContact O-NE 2.86Å; R19-R56 PolarHBondContact O-NH1 3.35Å | ||
| 20 | K | 81.6 | Confident | 83.3 | Confident | 141 Ų | 141 | 81.8 Ų | 81.8 | 61% | 0.613 | 41% | 0.412 | S | S | * | . | trans | -109.1 | 152.3 | 169.6 | -67.6 | -179.9 | -178 | -180 | 0 | 108.5 | S18 E22 | S18-K20 PolarHBondContact O-N 3.4Å; K20-E22 PolarHBondContact O-N 3.32Å | ||
| 21 | L | 81.7 | Confident | 83.7 | Confident | 23 Ų | 23 | 75.4 Ų | 75.4 | 12% | 0.12 | 39% | 0.386 | C | S | . | . | trans | -66.2 | 125.4 | 166.8 | 178 | 67.3 | 0 | 0 | 0 | 105.8 | E25 F30 W60 | L21-E25 HydrophobicContact CD1-CB 4.21Å; L21-E25 HydrophobicContact CD1-CG 4.24Å; L21-F30 HydrophobicContact CB-CD1 4.31Å; L21-F30 HydrophobicContact CB-CD2 4.01Å; L21-F30 HydrophobicContact CB-CE1 4.35Å; L21-F30 HydrophobicContact CB-CE2 4.07Å; L21-F30 HydrophobicContact CB-CG 4.12Å; L21-F30 HydrophobicContact CB-CZ 4.22Å; L21-F30 HydrophobicContact CD1-CB 3.4Å; L21-F30 HydrophobicContact CD1-CD1 4.04Å; L21-F30 HydrophobicContact CD1-CD2 4.14Å; L21-F30 HydrophobicContact CD1-CG 3.61Å; L21-F30 HydrophobicContact CG-CG 4.48Å; L21-F30 VanDerWaalsContact N-CE2 3.3Å; L21-W60 WeakPolarHBondContact O-CZ2 3.4Å | ||
| 22 | E | 82.5 | Confident | 83.9 | Confident | 96 Ų | 96 | 75 Ų | 75 | 45% | 0.449 | 39% | 0.389 | S | S | . | . | trans | -81.5 | 151.4 | 173.3 | -65 | -62.5 | 123.5 | 0 | 0 | 109.6 | K20 D24 E25 | K20-E22 PolarHBondContact O-N 3.32Å; E22-D24 WeakPolarHBondContact CB-OD1 3.35Å; E22-D24 PolarHBondContact O-N 2.83Å; E22-D24 VanDerWaalsContact O-N 3.14Å; E22-E25 HydrophobicContact CB-CB 3.94Å; E22-E25 PolarHBondContact N-OE2 2.96Å; E22-E25 PolarHBondContact O-N 3.14Å; E22-E25 VanDerWaalsContact O-N 3.07Å | ||
| 23 | P | 78.3 | Confident | 84 | Confident | 105 Ų | 105 | 77 Ų | 77 | 68% | 0.682 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.5 | -175.3 | 21 | -29.6 | 0 | 0 | 0 | 114.2 | W60 | P23-W60 HydrophobicContact CB-CH2 3.66Å; P23-W60 HydrophobicContact CB-CZ3 3.9Å; P23-W60 HydrophobicContact CG-CH2 4.18Å |
| 24 | D | 85.6 | Confident | 84.2 | Confident | 144 Ų | 144 | 71.1 Ų | 71.1 | 77% | 0.77 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -0.5 | 179 | 63.4 | -34.6 | 0 | 0 | 0 | 113.3 | E22 | E22-D24 WeakPolarHBondContact CB-OD1 3.35Å; E22-D24 PolarHBondContact O-N 2.83Å; E22-D24 VanDerWaalsContact O-N 3.14Å |
| 25 | E | 83.7 | Confident | 84.2 | Confident | 36 Ų | 36 | 71.1 Ų | 71.1 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -89.3 | 130.5 | -178.5 | -179.5 | 170.4 | -149 | 0 | 0 | 111.3 | R19 L21 E22 V29 F30 | R19-E25 IonicContact CZ-OE1 3.77Å; R19-E25 IonicContact CZ-OE2 2.76Å; R19-E25 VanDerWaalsContact CZ-OE2 3.29Å; R19-E25 IonicContact NH1-OE1 3.18Å; R19-E25 IonicContact NH1-OE2 2.67Å; R19-E25 PolarHBondContact NH1-OE2 2.86Å; R19-E25 VanDerWaalsContact NH2-CD 3.32Å; R19-E25 IonicContact NH2-OE1 3.55Å; R19-E25 PolarHBondContact NH2-OE1 3.28Å; R19-E25 IonicContact NH2-OE2 3.29Å; R19-E25 PolarHBondContact NH2-OE2 3.38Å; L21-E25 HydrophobicContact CD1-CB 4.21Å; L21-E25 HydrophobicContact CD1-CG 4.24Å; E22-E25 HydrophobicContact CB-CB 3.94Å; E22-E25 PolarHBondContact N-OE2 2.96Å; E22-E25 PolarHBondContact O-N 3.14Å; E22-E25 VanDerWaalsContact O-N 3.07Å; E25-V29 HydrophobicContact CG-CB 4.23Å; E25-V29 HydrophobicContact CG-CG1 4.26Å; E25-F30 HydrophobicContact CG-CB 4.24Å |
| 26 | A | 85.9 | Confident | 84.2 | Confident | 51 Ų | 51 | 70.1 Ų | 70.1 | 42% | 0.421 | 37% | 0.374 | S | S | . | . | trans | -67.3 | 137.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D28 V29 F30 | A26-D28 WeakPolarHBondContact CB-OD1 3.28Å; A26-D28 PolarHBondContact O-N 3.49Å; A26-V29 HydrophobicContact CB-CG2 4.08Å; A26-V29 WeakPolarHBondContact O-CB 3.45Å; A26-V29 PolarHBondContact O-N 3.49Å; A26-F30 PolarHBondContact O-N 3.07Å | ||
| 27 | H | 84 | Confident | 84.3 | Confident | 102 Ų | 102 | 70.6 Ų | 70.6 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.1 | -34.2 | -175 | 178.3 | -95 | 0 | 0 | 0 | 113 | F30 V31 | H27-F30 PolarHBondContact O-N 3.19Å; H27-V31 VanDerWaalsContact O-CG2 3.27Å; H27-V31 WeakPolarHBondContact O-CG2 2.91Å; H27-V31 PolarHBondContact O-N 3.04Å |
| 28 | D | 86.7 | Confident | 84.3 | Confident | 113 Ų | 113 | 68.1 Ų | 68.1 | 60% | 0.604 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66.2 | -41.3 | 175.3 | 63.1 | -29.9 | 0 | 0 | 0 | 112.6 | A26 V31 A32 | A26-D28 WeakPolarHBondContact CB-OD1 3.28Å; A26-D28 PolarHBondContact O-N 3.49Å; D28-V31 PolarHBondContact O-N 3.07Å; D28-A32 VanDerWaalsContact O-CB 3.29Å; D28-A32 WeakPolarHBondContact O-CB 3.37Å; D28-A32 PolarHBondContact O-N 3.37Å |
| 29 | V | 87.2 | Confident | 84.2 | Confident | 77 Ų | 77 | 68 Ų | 68 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 174.5 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | E25 A26 V31 A32 D33 | E25-V29 HydrophobicContact CG-CB 4.23Å; E25-V29 HydrophobicContact CG-CG1 4.26Å; A26-V29 HydrophobicContact CB-CG2 4.08Å; A26-V29 WeakPolarHBondContact O-CB 3.45Å; A26-V29 PolarHBondContact O-N 3.49Å; V29-V31 PolarHBondContact O-N 2.8Å; V29-A32 PolarHBondContact O-N 2.82Å; V29-D33 WeakPolarHBondContact O-CB 3.38Å; V29-D33 PolarHBondContact O-N 3.49Å |
| 30 | F | 85.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.7 | 169.5 | -105.1 | 0 | 0 | 0 | 112.7 | R19 L21 E25 A26 H27 D33 L34 V53 R56 T57 | R19-F30 HydrophobicContact CG-CD2 4.27Å; R19-F30 HydrophobicContact CG-CE2 3.98Å; L21-F30 HydrophobicContact CB-CD1 4.31Å; L21-F30 HydrophobicContact CB-CD2 4.01Å; L21-F30 HydrophobicContact CB-CE1 4.35Å; L21-F30 HydrophobicContact CB-CE2 4.07Å; L21-F30 HydrophobicContact CB-CG 4.12Å; L21-F30 HydrophobicContact CB-CZ 4.22Å; L21-F30 HydrophobicContact CD1-CB 3.4Å; L21-F30 HydrophobicContact CD1-CD1 4.04Å; L21-F30 HydrophobicContact CD1-CD2 4.14Å; L21-F30 HydrophobicContact CD1-CG 3.61Å; L21-F30 HydrophobicContact CG-CG 4.48Å; L21-F30 VanDerWaalsContact N-CE2 3.3Å; E25-F30 HydrophobicContact CG-CB 4.24Å; A26-F30 PolarHBondContact O-N 3.07Å; H27-F30 PolarHBondContact O-N 3.19Å; F30-D33 PolarHBondContact O-N 3.03Å; F30-L34 HydrophobicContact CD1-CD1 4.04Å; F30-L34 HydrophobicContact CD2-CD1 4.36Å; F30-L34 HydrophobicContact CD2-CG 4.38Å; F30-L34 HydrophobicContact CE1-CD1 3.39Å; F30-L34 HydrophobicContact CE1-CG 4.36Å; F30-L34 HydrophobicContact CE2-CD1 3.75Å; F30-L34 HydrophobicContact CE2-CD2 4.45Å; F30-L34 HydrophobicContact CE2-CG 4.01Å; F30-L34 HydrophobicContact CG-CD1 4.49Å; F30-L34 HydrophobicContact CZ-CD1 3.23Å; F30-L34 HydrophobicContact CZ-CG 4.02Å; F30-L34 WeakPolarHBondContact O-CB 2.98Å; F30-L34 WeakPolarHBondContact O-CG 3.41Å; F30-L34 PolarHBondContact O-N 2.99Å; F30-V53 HydrophobicContact CE1-CG1 4.34Å; F30-V53 HydrophobicContact CE1-CG2 4.45Å; F30-R56 HydrophobicContact CZ-CB 4.45Å; F30-R56 HydrophobicContact CZ-CG 4.07Å; F30-T57 HydrophobicContact CE1-CG2 4.26Å |
| 31 | V | 85.5 | Confident | 84 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 14% | 0.139 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | H27 D28 V29 L34 R35 V53 | H27-V31 VanDerWaalsContact O-CG2 3.27Å; H27-V31 WeakPolarHBondContact O-CG2 2.91Å; H27-V31 PolarHBondContact O-N 3.04Å; D28-V31 PolarHBondContact O-N 3.07Å; V29-V31 PolarHBondContact O-N 2.8Å; V31-L34 PolarHBondContact O-N 2.98Å; V31-R35 WeakPolarHBondContact O-CB 3.46Å; V31-R35 WeakPolarHBondContact O-CG 3.46Å; V31-R35 PolarHBondContact O-N 2.82Å; V31-V53 HydrophobicContact CG2-CG1 3.98Å; V31-V53 HydrophobicContact CG2-CG2 4.22Å |
| 32 | A | 87.7 | Confident | 83.6 | Confident | 57 Ų | 57 | 63.8 Ų | 63.8 | 47% | 0.471 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D28 V29 R35 Q36 | D28-A32 VanDerWaalsContact O-CB 3.29Å; D28-A32 WeakPolarHBondContact O-CB 3.37Å; D28-A32 PolarHBondContact O-N 3.37Å; V29-A32 PolarHBondContact O-N 2.82Å; A32-R35 PolarHBondContact O-N 2.91Å; A32-Q36 WeakPolarHBondContact O-CB 3.01Å; A32-Q36 PolarHBondContact O-N 3.42Å |
| 33 | D | 86.3 | Confident | 82.7 | Confident | 42 Ų | 42 | 64.2 Ų | 64.2 | 23% | 0.225 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.6 | -43 | 176.6 | -171.4 | 37.2 | 0 | 0 | 0 | 111.4 | R19 V29 F30 R35 Q36 L37 | R19-D33 IonicContact CZ-OD2 3.44Å; R19-D33 IonicContact NE-OD2 2.77Å; R19-D33 PolarHBondContact NE-OD2 3.37Å; R19-D33 IonicContact NH2-OD2 3.19Å; R19-D33 PolarHBondContact NH2-OD2 3.21Å; V29-D33 WeakPolarHBondContact O-CB 3.38Å; V29-D33 PolarHBondContact O-N 3.49Å; F30-D33 PolarHBondContact O-N 3.03Å; D33-R35 PolarHBondContact O-N 3.44Å; D33-Q36 WeakPolarHBondContact O-CB 3.21Å; D33-Q36 PolarHBondContact O-N 3.33Å; D33-L37 WeakPolarHBondContact O-CB 3.39Å; D33-L37 VanDerWaalsContact O-CG 3.32Å; D33-L37 WeakPolarHBondContact O-CG 3.39Å; D33-L37 PolarHBondContact O-N 2.86Å |
| 34 | L | 86.1 | Confident | 82.1 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 174.7 | -79.9 | -176.9 | 0 | 0 | 0 | 112.8 | F16 R19 F30 V31 Q36 L37 A38 V53 | F16-L34 HydrophobicContact CD2-CB 4.41Å; F16-L34 HydrophobicContact CD2-CD2 3.62Å; F16-L34 WeakPolarHBondContact CD2-O 3.27Å; F16-L34 HydrophobicContact CE2-CB 4.05Å; F16-L34 HydrophobicContact CE2-CD2 3.69Å; F16-L34 HydrophobicContact CE2-CG 4.36Å; F16-L34 HydrophobicContact CG-CD2 4.41Å; R19-L34 HydrophobicContact CB-CD2 3.94Å; R19-L34 HydrophobicContact CG-CD2 4.06Å; F30-L34 HydrophobicContact CD1-CD1 4.04Å; F30-L34 HydrophobicContact CD2-CD1 4.36Å; F30-L34 HydrophobicContact CD2-CG 4.38Å; F30-L34 HydrophobicContact CE1-CD1 3.39Å; F30-L34 HydrophobicContact CE1-CG 4.36Å; F30-L34 HydrophobicContact CE2-CD1 3.75Å; F30-L34 HydrophobicContact CE2-CD2 4.45Å; F30-L34 HydrophobicContact CE2-CG 4.01Å; F30-L34 HydrophobicContact CG-CD1 4.49Å; F30-L34 HydrophobicContact CZ-CD1 3.23Å; F30-L34 HydrophobicContact CZ-CG 4.02Å; F30-L34 WeakPolarHBondContact O-CB 2.98Å; F30-L34 WeakPolarHBondContact O-CG 3.41Å; F30-L34 PolarHBondContact O-N 2.99Å; V31-L34 PolarHBondContact O-N 2.98Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; L34-L37 PolarHBondContact O-N 3.18Å; L34-A38 WeakPolarHBondContact O-CB 3.47Å; L34-A38 PolarHBondContact O-N 3.45Å; L34-V53 HydrophobicContact CD1-CB 4.43Å; L34-V53 HydrophobicContact CD1-CG2 3.42Å; L34-V53 VanDerWaalsContact CD1-CG2 3.42Å |
| 35 | R | 84.3 | Confident | 81.4 | Confident | 140 Ų | 140 | 56.9 Ų | 56.9 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 174.9 | -79.8 | -179.6 | 175 | 166.3 | 0.9 | 112 | V31 A32 D33 A38 S39 | V31-R35 WeakPolarHBondContact O-CB 3.46Å; V31-R35 WeakPolarHBondContact O-CG 3.46Å; V31-R35 PolarHBondContact O-N 2.82Å; A32-R35 PolarHBondContact O-N 2.91Å; D33-R35 PolarHBondContact O-N 3.44Å; R35-A38 PolarHBondContact O-N 3.19Å; R35-S39 WeakPolarHBondContact O-CB 3.32Å; R35-S39 PolarHBondContact O-N 2.94Å; R35-S39 PolarHBondContact O-OG 2.84Å |
| 36 | Q | 84.1 | Confident | 80.7 | Confident | 120 Ų | 120 | 60.7 Ų | 60.7 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.5 | -46.9 | 175.7 | -175.2 | 176.1 | 4.1 | 0 | 0 | 111.2 | A32 D33 L34 A38 S39 L40 | A32-Q36 WeakPolarHBondContact O-CB 3.01Å; A32-Q36 PolarHBondContact O-N 3.42Å; D33-Q36 WeakPolarHBondContact O-CB 3.21Å; D33-Q36 PolarHBondContact O-N 3.33Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; Q36-A38 VanDerWaalsContact C-N 3.34Å; Q36-A38 PolarHBondContact O-N 3.46Å; Q36-S39 PolarHBondContact O-N 3.45Å; Q36-L40 HydrophobicContact CG-CD1 4.32Å; Q36-L40 WeakPolarHBondContact O-CG 3.49Å; Q36-L40 PolarHBondContact O-N 3.47Å |
| 37 | L | 84.6 | Confident | 80.1 | Confident | 11 Ų | 11 | 62.2 Ų | 62.2 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 175.8 | -69.9 | 172.2 | 0 | 0 | 0 | 111.9 | M7 R15 F16 R19 D33 L34 L40 A41 | M7-L37 HydrophobicContact SD-CD2 4.36Å; R15-L37 HydrophobicContact CB-CD1 4.15Å; R15-L37 HydrophobicContact CB-CD2 3.84Å; F16-L37 HydrophobicContact CB-CB 4Å; F16-L37 HydrophobicContact CD2-CB 4.13Å; R19-L37 HydrophobicContact CB-CD1 4.42Å; D33-L37 WeakPolarHBondContact O-CB 3.39Å; D33-L37 VanDerWaalsContact O-CG 3.32Å; D33-L37 WeakPolarHBondContact O-CG 3.39Å; D33-L37 PolarHBondContact O-N 2.86Å; L34-L37 PolarHBondContact O-N 3.18Å; L37-L40 PolarHBondContact O-N 2.91Å; L37-A41 WeakPolarHBondContact O-CB 3.47Å; L37-A41 PolarHBondContact O-N 2.92Å |
| 38 | A | 82.3 | Confident | 79.5 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.033 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63 | -40 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | F16 L34 R35 Q36 A41 S43 I44 S49 | F16-A38 HydrophobicContact CD2-CB 4.21Å; F16-A38 HydrophobicContact CE2-CB 4.08Å; L34-A38 WeakPolarHBondContact O-CB 3.47Å; L34-A38 PolarHBondContact O-N 3.45Å; R35-A38 PolarHBondContact O-N 3.19Å; Q36-A38 VanDerWaalsContact C-N 3.34Å; Q36-A38 PolarHBondContact O-N 3.46Å; A38-A41 PolarHBondContact O-N 2.86Å; A38-S43 PolarHBondContact O-N 3.48Å; A38-I44 HydrophobicContact CB-CB 3.96Å; A38-I44 HydrophobicContact CB-CD1 4.2Å; A38-I44 HydrophobicContact CB-CG1 4.35Å; A38-I44 PolarHBondContact O-N 2.67Å; A38-S49 WeakPolarHBondContact CB-OG 3.22Å |
| 39 | S | 82.6 | Confident | 78.6 | Confident | 83 Ų | 83 | 55.1 Ų | 55.1 | 58% | 0.58 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.2 | -44.5 | 175.1 | -59.7 | 0 | 0 | 0 | 0 | 111 | R35 Q36 A41 G42 | R35-S39 WeakPolarHBondContact O-CB 3.32Å; R35-S39 PolarHBondContact O-N 2.94Å; R35-S39 PolarHBondContact O-OG 2.84Å; Q36-S39 PolarHBondContact O-N 3.45Å; S39-A41 VanDerWaalsContact C-N 3.35Å; S39-A41 PolarHBondContact O-N 2.91Å; S39-G42 PolarHBondContact O-N 3.19Å |
| 40 | L | 82.4 | Confident | 77.8 | Confident | 74 Ų | 74 | 56.6 Ų | 56.6 | 39% | 0.387 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.7 | -34.6 | 177.4 | -71.7 | 171.4 | 0 | 0 | 0 | 113 | M7 A12 Q36 L37 G42 | M7-L40 HydrophobicContact SD-CD1 4.29Å; A12-L40 HydrophobicContact CB-CB 3.79Å; Q36-L40 HydrophobicContact CG-CD1 4.32Å; Q36-L40 WeakPolarHBondContact O-CG 3.49Å; Q36-L40 PolarHBondContact O-N 3.47Å; L37-L40 PolarHBondContact O-N 2.91Å; L40-G42 PolarHBondContact O-N 2.76Å |
| 41 | A | 77.4 | Confident | 77.3 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 15% | 0.149 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -9.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A12 L37 A38 S39 I44 | A12-A41 HydrophobicContact CB-CB 4.02Å; L37-A41 WeakPolarHBondContact O-CB 3.47Å; L37-A41 PolarHBondContact O-N 2.92Å; A38-A41 PolarHBondContact O-N 2.86Å; S39-A41 VanDerWaalsContact C-N 3.35Å; S39-A41 PolarHBondContact O-N 2.91Å; A41-I44 HydrophobicContact CB-CD1 3.72Å; A41-I44 HydrophobicContact CB-CG1 3.94Å |
| 42 | G | 72.5 | Confident | 76.5 | Confident | 42 Ų | 42 | 59 Ų | 59 | 43% | 0.433 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.7 | 42.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S39 L40 | S39-G42 PolarHBondContact O-N 3.19Å; L40-G42 PolarHBondContact O-N 2.76Å |
| 43 | S | 65 | Low | 75.8 | Confident | 106 Ų | 106 | 56.8 Ų | 56.8 | 74% | 0.741 | 33% | 0.334 | S | S | * | . | trans | 64.3 | 66.1 | -178.6 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | A38 S45 | A38-S43 PolarHBondContact O-N 3.48Å; S43-S45 PolarHBondContact O-N 3.18Å | ||
| 44 | I | 64.9 | Low | 75.1 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 17% | 0.169 | 35% | 0.353 | C | S | . | . | trans | -60.7 | 134.4 | 162.4 | -57.8 | 179.9 | 0 | 0 | 0 | 107.4 | Y13 F16 A38 A41 V48 | Y13-I44 HydrophobicContact CD2-CD1 4Å; F16-I44 HydrophobicContact CD1-CD1 3.89Å; F16-I44 HydrophobicContact CE1-CD1 4.15Å; F16-I44 HydrophobicContact CG-CD1 4.14Å; A38-I44 HydrophobicContact CB-CB 3.96Å; A38-I44 HydrophobicContact CB-CD1 4.2Å; A38-I44 HydrophobicContact CB-CG1 4.35Å; A38-I44 PolarHBondContact O-N 2.67Å; A41-I44 HydrophobicContact CB-CD1 3.72Å; A41-I44 HydrophobicContact CB-CG1 3.94Å; I44-V48 HydrophobicContact CG2-CB 3.5Å; I44-V48 HydrophobicContact CG2-CG1 3.43Å; I44-V48 VanDerWaalsContact CG2-CG1 3.43Å; I44-V48 HydrophobicContact CG2-CG2 4.49Å | ||
| 45 | S | 70 | Confident | 74.6 | Confident | 61 Ų | 61 | 68.9 Ų | 68.9 | 43% | 0.427 | 38% | 0.383 | S | S | . | . | trans | -61.3 | 143 | 179.2 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | S43 S47 V48 S49 | S43-S45 PolarHBondContact O-N 3.18Å; S45-S47 PolarHBondContact O-N 2.96Å; S45-S47 PolarHBondContact OG-OG 3.14Å; S45-V48 PolarHBondContact O-N 3.3Å; S45-V48 WeakPolarHBondContact OG-CG2 3.44Å; S45-S49 PolarHBondContact O-N 3.36Å | ||
| 46 | D | 70.1 | Confident | 73.9 | Confident | 117 Ų | 117 | 64.3 Ų | 64.3 | 63% | 0.626 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -52.9 | -31.4 | 177.6 | -78.8 | -29.2 | 0 | 0 | 0 | 112.3 | S49 M50 | D46-S49 PolarHBondContact O-N 2.8Å; D46-M50 VanDerWaalsContact O-CB 3.26Å; D46-M50 WeakPolarHBondContact O-CB 3.41Å; D46-M50 WeakPolarHBondContact O-CG 3.4Å; D46-M50 PolarHBondContact O-N 2.98Å |
| 47 | S | 72.8 | Confident | 73.2 | Confident | 83 Ų | 83 | 60.3 Ų | 60.3 | 58% | 0.58 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.4 | -44.1 | 173.9 | 56.4 | 0 | 0 | 0 | 0 | 113 | S45 S51 | S45-S47 PolarHBondContact O-N 2.96Å; S45-S47 PolarHBondContact OG-OG 3.14Å; S47-S51 VanDerWaalsContact O-CB 3.3Å; S47-S51 WeakPolarHBondContact O-CB 3.34Å; S47-S51 PolarHBondContact O-N 2.89Å; S47-S51 PolarHBondContact O-OG 3.47Å |
| 48 | V | 71.4 | Confident | 72.2 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 36% | 0.358 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.6 | -42.8 | 177.5 | 173.5 | 0 | 0 | 0 | 0 | 109.2 | I44 S45 M50 S51 C52 | I44-V48 HydrophobicContact CG2-CB 3.5Å; I44-V48 HydrophobicContact CG2-CG1 3.43Å; I44-V48 VanDerWaalsContact CG2-CG1 3.43Å; I44-V48 HydrophobicContact CG2-CG2 4.49Å; S45-V48 PolarHBondContact O-N 3.3Å; S45-V48 WeakPolarHBondContact OG-CG2 3.44Å; V48-M50 PolarHBondContact O-N 2.76Å; V48-S51 WeakPolarHBondContact CA-OG 3.33Å; V48-S51 PolarHBondContact O-N 3.25Å; V48-S51 PolarHBondContact O-OG 3.34Å; V48-C52 PolarHBondContact O-N 2.96Å |
| 49 | S | 69.2 | Low | 71.1 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -55.9 | -49.4 | 174.1 | -64.9 | 0 | 0 | 0 | 0 | 112.7 | A38 S45 D46 C52 V53 | A38-S49 WeakPolarHBondContact CB-OG 3.22Å; S45-S49 PolarHBondContact O-N 3.36Å; D46-S49 PolarHBondContact O-N 2.8Å; S49-C52 PolarHBondContact O-N 3.27Å; S49-V53 VanDerWaalsContact O-CG2 3.28Å; S49-V53 WeakPolarHBondContact O-CG2 3.32Å; S49-V53 PolarHBondContact O-N 3.46Å |
| 50 | M | 69.5 | Low | 69.6 | Low | 109 Ų | 109 | 66.7 Ų | 66.7 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.2 | -37 | 178.6 | -71.6 | -65.7 | -68.1 | 0 | 0 | 112.4 | D46 V48 C52 V53 Y54 | D46-M50 VanDerWaalsContact O-CB 3.26Å; D46-M50 WeakPolarHBondContact O-CB 3.41Å; D46-M50 WeakPolarHBondContact O-CG 3.4Å; D46-M50 PolarHBondContact O-N 2.98Å; V48-M50 PolarHBondContact O-N 2.76Å; M50-C52 VanDerWaalsContact C-N 3.34Å; M50-C52 PolarHBondContact O-N 3.36Å; M50-V53 PolarHBondContact O-N 2.89Å; M50-Y54 VanDerWaalsContact O-CB 3.26Å; M50-Y54 WeakPolarHBondContact O-CB 3.49Å; M50-Y54 PolarHBondContact O-N 3.16Å |
| 51 | S | 74 | Confident | 68.3 | Low | 53 Ų | 53 | 68.5 Ų | 68.5 | 37% | 0.371 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 175.6 | 73.8 | 0 | 0 | 0 | 0 | 112 | S47 V48 Y54 Q55 | S47-S51 VanDerWaalsContact O-CB 3.3Å; S47-S51 WeakPolarHBondContact O-CB 3.34Å; S47-S51 PolarHBondContact O-N 2.89Å; S47-S51 PolarHBondContact O-OG 3.47Å; V48-S51 WeakPolarHBondContact CA-OG 3.33Å; V48-S51 PolarHBondContact O-N 3.25Å; V48-S51 PolarHBondContact O-OG 3.34Å; S51-Y54 PolarHBondContact O-N 2.77Å; S51-Q55 WeakPolarHBondContact O-CB 3.29Å; S51-Q55 WeakPolarHBondContact O-CG 3.19Å; S51-Q55 PolarHBondContact O-N 3.15Å |
| 52 | C | 69.5 | Low | 67.4 | Low | 19 Ų | 19 | 72.9 Ų | 72.9 | 13% | 0.128 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.4 | -41.3 | 174.8 | -72.3 | 0 | 0 | 0 | 0 | 112.2 | F16 V48 S49 M50 Y54 R56 | F16-C52 HydrophobicContact CE1-CB 3.9Å; F16-C52 VanDerWaalsContact CE1-SG 3.55Å; F16-C52 HydrophobicContact CZ-CB 3.69Å; V48-C52 PolarHBondContact O-N 2.96Å; S49-C52 PolarHBondContact O-N 3.27Å; M50-C52 VanDerWaalsContact C-N 3.34Å; M50-C52 PolarHBondContact O-N 3.36Å; C52-Y54 VanDerWaalsContact C-N 3.32Å; C52-R56 WeakPolarHBondContact O-CB 3.46Å; C52-R56 PolarHBondContact O-N 2.83Å |
| 53 | V | 73 | Confident | 66.7 | Low | 12 Ų | 12 | 77 Ų | 77 | 7% | 0.073 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -57.6 | -49 | 171.4 | 173.3 | 0 | 0 | 0 | 0 | 109.4 | F30 V31 L34 S49 M50 R56 T57 | F30-V53 HydrophobicContact CE1-CG1 4.34Å; F30-V53 HydrophobicContact CE1-CG2 4.45Å; V31-V53 HydrophobicContact CG2-CG1 3.98Å; V31-V53 HydrophobicContact CG2-CG2 4.22Å; L34-V53 HydrophobicContact CD1-CB 4.43Å; L34-V53 HydrophobicContact CD1-CG2 3.42Å; L34-V53 VanDerWaalsContact CD1-CG2 3.42Å; S49-V53 VanDerWaalsContact O-CG2 3.28Å; S49-V53 WeakPolarHBondContact O-CG2 3.32Å; S49-V53 PolarHBondContact O-N 3.46Å; M50-V53 PolarHBondContact O-N 2.89Å; V53-R56 PolarHBondContact O-N 3.48Å; V53-T57 HydrophobicContact CG1-CG2 4.05Å; V53-T57 WeakPolarHBondContact O-CB 3.42Å; V53-T57 WeakPolarHBondContact O-CG2 3.35Å; V53-T57 PolarHBondContact O-N 2.89Å; V53-T57 PolarHBondContact O-OG1 3.01Å |
| 54 | Y | 72.6 | Confident | 66 | Low | 159 Ų | 159 | 75 Ų | 75 | 62% | 0.624 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.5 | -56.1 | -177 | -172.7 | -99.7 | 0 | 0 | 0 | 111.7 | M50 S51 C52 R56 T57 T58 | M50-Y54 VanDerWaalsContact O-CB 3.26Å; M50-Y54 WeakPolarHBondContact O-CB 3.49Å; M50-Y54 PolarHBondContact O-N 3.16Å; S51-Y54 PolarHBondContact O-N 2.77Å; C52-Y54 VanDerWaalsContact C-N 3.32Å; Y54-R56 PolarHBondContact O-N 3.22Å; Y54-T57 PolarHBondContact O-N 3.18Å; Y54-T57 PolarHBondContact O-OG1 2.89Å; Y54-T57 VanDerWaalsContact O-OG1 3.04Å; Y54-T58 HydrophobicContact CD1-CG2 3.98Å; Y54-T58 HydrophobicContact CD2-CG2 4.02Å; Y54-T58 HydrophobicContact CE1-CG2 3.68Å; Y54-T58 HydrophobicContact CE2-CG2 3.72Å; Y54-T58 HydrophobicContact CG-CG2 4.14Å; Y54-T58 WeakPolarHBondContact O-CB 3.48Å; Y54-T58 VanDerWaalsContact O-CG2 3.3Å; Y54-T58 WeakPolarHBondContact O-CG2 3.26Å; Y54-T58 PolarHBondContact O-N 2.87Å; Y54-T58 PolarHBondContact O-OG1 3.06Å |
| 55 | Q | 73.7 | Confident | 65.3 | Low | 138 Ų | 138 | 85 Ų | 85 | 65% | 0.645 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -55 | -33.1 | 179.5 | -74.7 | -174.6 | -15.7 | 0 | 0 | 113 | S51 T58 S59 | S51-Q55 WeakPolarHBondContact O-CB 3.29Å; S51-Q55 WeakPolarHBondContact O-CG 3.19Å; S51-Q55 PolarHBondContact O-N 3.15Å; Q55-T58 WeakPolarHBondContact CA-OG1 3.31Å; Q55-T58 PolarHBondContact O-OG1 2.78Å; Q55-S59 PolarHBondContact O-N 3.19Å |
| 56 | R | 70.7 | Confident | 64 | Low | 44 Ų | 44 | 93.4 Ų | 93.4 | 17% | 0.166 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -89.1 | -28.7 | -173.5 | -166.8 | 167.5 | -83.1 | 151.7 | 7.9 | 113.4 | F16 V17 R19 F30 C52 V53 Y54 | F16-R56 PolarHBondContact O-NH1 3.3Å; V17-R56 PolarHBondContact O-NH2 3.3Å; R19-R56 WeakPolarHBondContact O-CD 3.21Å; R19-R56 PolarHBondContact O-NE 2.86Å; R19-R56 PolarHBondContact O-NH1 3.35Å; F30-R56 HydrophobicContact CZ-CB 4.45Å; F30-R56 HydrophobicContact CZ-CG 4.07Å; C52-R56 WeakPolarHBondContact O-CB 3.46Å; C52-R56 PolarHBondContact O-N 2.83Å; V53-R56 PolarHBondContact O-N 3.48Å; Y54-R56 PolarHBondContact O-N 3.22Å |
| 57 | T | 68.8 | Low | 62.9 | Low | 35 Ų | 35 | 94.6 Ų | 94.6 | 22% | 0.215 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -79.9 | -36.1 | 170.2 | 53.4 | 0 | 0 | 0 | 0 | 111 | F30 V53 Y54 S59 W60 | F30-T57 HydrophobicContact CE1-CG2 4.26Å; V53-T57 HydrophobicContact CG1-CG2 4.05Å; V53-T57 WeakPolarHBondContact O-CB 3.42Å; V53-T57 WeakPolarHBondContact O-CG2 3.35Å; V53-T57 PolarHBondContact O-N 2.89Å; V53-T57 PolarHBondContact O-OG1 3.01Å; Y54-T57 PolarHBondContact O-N 3.18Å; Y54-T57 PolarHBondContact O-OG1 2.89Å; Y54-T57 VanDerWaalsContact O-OG1 3.04Å; T57-S59 VanDerWaalsContact C-N 3.29Å; T57-S59 PolarHBondContact O-N 2.93Å; T57-W60 WeakPolarHBondContact O-CB 3.22Å; T57-W60 PolarHBondContact O-N 2.7Å; T57-W60 VanDerWaalsContact O-N 3.14Å |
| 58 | T | 64.7 | Low | 62.2 | Low | 54 Ų | 54 | 99.4 Ų | 99.4 | 33% | 0.331 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.9 | -24.3 | 175.3 | 58.2 | 0 | 0 | 0 | 0 | 113 | Y54 Q55 W60 S61 | Y54-T58 HydrophobicContact CD1-CG2 3.98Å; Y54-T58 HydrophobicContact CD2-CG2 4.02Å; Y54-T58 HydrophobicContact CE1-CG2 3.68Å; Y54-T58 HydrophobicContact CE2-CG2 3.72Å; Y54-T58 HydrophobicContact CG-CG2 4.14Å; Y54-T58 WeakPolarHBondContact O-CB 3.48Å; Y54-T58 VanDerWaalsContact O-CG2 3.3Å; Y54-T58 WeakPolarHBondContact O-CG2 3.26Å; Y54-T58 PolarHBondContact O-N 2.87Å; Y54-T58 PolarHBondContact O-OG1 3.06Å; Q55-T58 WeakPolarHBondContact CA-OG1 3.31Å; Q55-T58 PolarHBondContact O-OG1 2.78Å; T58-W60 PolarHBondContact O-N 2.84Å; T58-S61 WeakPolarHBondContact O-CB 3.35Å; T58-S61 PolarHBondContact O-N 2.77Å |
| 59 | S | 58.2 | Low | 61.7 | Low | 67 Ų | 67 | 101.5 Ų | 101.5 | 47% | 0.469 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28.7 | 171.2 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | Q55 T57 S61 S62 | Q55-S59 PolarHBondContact O-N 3.19Å; T57-S59 VanDerWaalsContact C-N 3.29Å; T57-S59 PolarHBondContact O-N 2.93Å; S59-S61 VanDerWaalsContact C-N 3.26Å; S59-S61 PolarHBondContact O-N 2.81Å; S59-S62 PolarHBondContact O-N 3Å |
| 60 | W | 52 | Low | 61.3 | Low | 112 Ų | 112 | 106.5 Ų | 106.5 | 42% | 0.424 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -69.1 | -27.4 | 173.2 | -72.6 | 79.8 | 0 | 0 | 0 | 111.7 | L21 P23 T57 T58 S62 I63 | L21-W60 WeakPolarHBondContact O-CZ2 3.4Å; P23-W60 HydrophobicContact CB-CH2 3.66Å; P23-W60 HydrophobicContact CB-CZ3 3.9Å; P23-W60 HydrophobicContact CG-CH2 4.18Å; T57-W60 WeakPolarHBondContact O-CB 3.22Å; T57-W60 PolarHBondContact O-N 2.7Å; T57-W60 VanDerWaalsContact O-N 3.14Å; T58-W60 PolarHBondContact O-N 2.84Å; W60-S62 PolarHBondContact O-N 2.88Å; W60-I63 PolarHBondContact O-N 2.9Å |
| 61 | S | 55.2 | Low | 60.9 | Low | 112 Ų | 112 | 106.3 Ų | 106.3 | 78% | 0.783 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -71.6 | -12.5 | -179.7 | -148.5 | 0 | 0 | 0 | 0 | 113.9 | T58 S59 | T58-S61 WeakPolarHBondContact O-CB 3.35Å; T58-S61 PolarHBondContact O-N 2.77Å; S59-S61 VanDerWaalsContact C-N 3.26Å; S59-S61 PolarHBondContact O-N 2.81Å |
| 62 | S | 57.7 | Low | 60.1 | Low | 110 Ų | 110 | 109.5 Ų | 109.5 | 77% | 0.769 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -101.7 | -5.8 | 176.3 | -163.5 | 0 | 0 | 0 | 0 | 113.9 | S59 W60 | S59-S62 PolarHBondContact O-N 3Å; W60-S62 PolarHBondContact O-N 2.88Å |
| 63 | I | 58 | Low | 59.5 | Low | 127 Ų | 127 | 115.1 Ų | 115.1 | 65% | 0.651 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -116 | 104.1 | 177.7 | -60.7 | 172.5 | 0 | 0 | 0 | 106.2 | W60 | W60-I63 PolarHBondContact O-N 2.9Š|
| 64 | G | 50.7 | Low | 58.6 | Low | 66 Ų | 66 | 122 Ų | 122 | 68% | 0.68 | 64% | 0.637 | S | S | * | * | trans | -60.4 | 163.7 | -157.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 65 | R | 50.1 | Low | 57.6 | Low | 242 Ų | 242 | 119.4 Ų | 119.4 | 91% | 0.913 | 64% | 0.638 | S | S | * | * | trans | 65.6 | 98.4 | 155.4 | -57.4 | -172.8 | -155.8 | -167 | 5.1 | 117 | ||||
| 66 | Y | 41.7 | Very low | 56.4 | Low | 238 Ų | 238 | 117.9 Ų | 117.9 | 93% | 0.933 | 64% | 0.638 | S | S | * | * | -151.7 | 134.5 | 115.5 | -132.4 | -97 | 0 | 0 | 0 | 108.6 | |||||
| 67 | D | 48.4 | Very low | 55.2 | Low | 141 Ų | 141 | 124.1 Ų | 124.1 | 75% | 0.754 | 68% | 0.677 | S | S | * | * | trans | -134.1 | 142.8 | -178 | 179.6 | 18.3 | 0 | 0 | 0 | 104.5 | ||||
| 68 | P | 57.1 | Low | 54 | Low | 185 Ų | 185 | 132.2 Ų | 132.2 | 100% | 1.201 | 72% | 0.719 | S | S | * | * | cis | -98.3 | 0 | -28.5 | 35.3 | -30.2 | 0 | 0 | 0 | 113.9 |
Retrieved 68 of 68 residues in 43 ms
(Link to these results)