| 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 | 87.6 | Confident | 96.1 | Very high | 55 Ų | 55 | 69.9 Ų | 69.9 | 27% | 0.271 | 35% | 0.349 | S | S | . | . | 0 | 128.3 | 0 | -166.8 | 59.5 | 65.5 | 0 | 0 | 111.1 | E5 A6 I9 E48 A49 F52 | M1-E5 WeakPolarHBondContact CA-OE2 3.09Å; M1-E5 HydrophobicContact SD-CB 3.93Å; M1-E5 VanDerWaalsContact SD-CD 3.51Å; M1-E5 HydrophobicContact SD-CG 3.64Å; M1-A6 HydrophobicContact CG-CB 4.06Å; M1-A6 HydrophobicContact SD-CB 3.89Å; M1-I9 HydrophobicContact CE-CD1 3.6Å; M1-I9 HydrophobicContact SD-CD1 3.88Å; M1-E48 HydrophobicContact CB-CG 4.46Å; M1-E48 HydrophobicContact CE-CB 3.91Å; M1-E48 HydrophobicContact CE-CG 3.66Å; M1-A49 HydrophobicContact CE-CB 4.19Å; M1-A49 HydrophobicContact SD-CB 4.46Å; M1-F52 HydrophobicContact CB-CB 4.48Å; M1-F52 HydrophobicContact CB-CD2 3.76Å; M1-F52 HydrophobicContact CB-CE2 4.23Å; M1-F52 HydrophobicContact CB-CG 4.15Å; M1-F52 HydrophobicContact CG-CB 3.78Å; M1-F52 HydrophobicContact CG-CD1 4.11Å; M1-F52 HydrophobicContact CG-CD2 3.75Å; M1-F52 HydrophobicContact CG-CE2 4.38Å; M1-F52 HydrophobicContact CG-CG 3.59Å; M1-F52 WeakPolarHBondContact O-CE2 3.37Å | |||
| 2 | T | 94.6 | Very high | 96.3 | Very high | 81 Ų | 81 | 65.5 Ų | 65.5 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | trans | -104.2 | 161.5 | 165.1 | 68.8 | 0 | 0 | 0 | 0 | 111.1 | R4 E5 A6 | T2-R4 VanDerWaalsContact C-N 3.28Å; T2-R4 PolarHBondContact O-N 3.25Å; T2-E5 PolarHBondContact N-OE2 3.26Å; T2-E5 PolarHBondContact O-N 3.3Å; T2-E5 WeakPolarHBondContact OG1-CB 2.99Å; T2-E5 PolarHBondContact OG1-N 3.31Å; T2-E5 VanDerWaalsContact OG1-N 3.08Å; T2-A6 PolarHBondContact O-N 3.16Å | ||
| 3 | R | 93.4 | Very high | 96.3 | Very high | 124 Ų | 124 | 64.9 Ų | 64.9 | 47% | 0.468 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.3 | -42.6 | 175.4 | -176.1 | 177.6 | -79.4 | -138.8 | 2.3 | 111.6 | A6 F7 F52 L53 S56 | R3-A6 PolarHBondContact O-N 2.82Å; R3-F7 HydrophobicContact CG-CD2 3.82Å; R3-F7 HydrophobicContact CG-CE2 3.47Å; R3-F7 VanDerWaalsContact CG-CE2 3.47Å; R3-F7 WeakPolarHBondContact O-CD2 3.34Å; R3-F7 PolarHBondContact O-N 3.41Å; R3-F7 VanDerWaalsContact O-N 3.16Å; R3-F52 HydrophobicContact CB-CE1 3.93Å; R3-L53 HydrophobicContact CG-CD2 4.29Å; R3-S56 PolarHBondContact NH2-O 3.29Å; R3-S56 PolarHBondContact NH2-OG 3.03Å |
| 4 | R | 95.4 | Very high | 96.2 | Very high | 198 Ų | 198 | 67.4 Ų | 67.4 | 75% | 0.747 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.6 | -47 | 176.8 | -178.6 | 177.5 | 177 | 177 | -1.1 | 111.7 | T2 A6 F7 L8 | T2-R4 VanDerWaalsContact C-N 3.28Å; T2-R4 PolarHBondContact O-N 3.25Å; R4-A6 VanDerWaalsContact C-N 3.34Å; R4-A6 PolarHBondContact O-N 3.03Å; R4-F7 PolarHBondContact O-N 2.94Å; R4-L8 HydrophobicContact CG-CD1 4.15Å; R4-L8 WeakPolarHBondContact O-CG 3.31Å; R4-L8 PolarHBondContact O-N 3.43Å |
| 5 | E | 97.6 | Very high | 96.1 | Very high | 70 Ų | 70 | 69.9 Ų | 69.9 | 33% | 0.327 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 177.6 | -176.5 | -171 | -180 | 0 | 0 | 111.5 | M1 T2 F7 L8 I9 | M1-E5 WeakPolarHBondContact CA-OE2 3.09Å; M1-E5 HydrophobicContact SD-CB 3.93Å; M1-E5 VanDerWaalsContact SD-CD 3.51Å; M1-E5 HydrophobicContact SD-CG 3.64Å; T2-E5 PolarHBondContact N-OE2 3.26Å; T2-E5 PolarHBondContact O-N 3.3Å; T2-E5 WeakPolarHBondContact OG1-CB 2.99Å; T2-E5 PolarHBondContact OG1-N 3.31Å; T2-E5 VanDerWaalsContact OG1-N 3.08Å; E5-F7 PolarHBondContact O-N 2.95Å; E5-L8 PolarHBondContact O-N 3.35Å; E5-L8 VanDerWaalsContact O-N 3.15Å; E5-I9 HydrophobicContact CG-CD1 3.93Å; E5-I9 WeakPolarHBondContact O-CG1 3.45Å; E5-I9 PolarHBondContact O-N 3.47Å |
| 6 | A | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 T2 R3 R4 L8 I9 L10 A49 F52 L53 | M1-A6 HydrophobicContact CG-CB 4.06Å; M1-A6 HydrophobicContact SD-CB 3.89Å; T2-A6 PolarHBondContact O-N 3.16Å; R3-A6 PolarHBondContact O-N 2.82Å; R4-A6 VanDerWaalsContact C-N 3.34Å; R4-A6 PolarHBondContact O-N 3.03Å; A6-L8 VanDerWaalsContact C-N 3.33Å; A6-L8 PolarHBondContact O-N 3.16Å; A6-I9 PolarHBondContact O-N 3.44Å; A6-L10 PolarHBondContact O-N 2.94Å; A6-L10 VanDerWaalsContact O-N 3.17Å; A6-A49 HydrophobicContact CB-CB 3.99Å; A6-F52 HydrophobicContact CB-CD1 4.06Å; A6-L53 HydrophobicContact CB-CD1 4.03Å; A6-L53 HydrophobicContact CB-CD2 3.98Å; A6-L53 HydrophobicContact CB-CG 3.72Å |
| 7 | F | 97.7 | Very high | 95.9 | Very high | 14 Ų | 14 | 66.9 Ų | 66.9 | 6% | 0.061 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 174.2 | -79.5 | -58.7 | 0 | 0 | 0 | 112.5 | R3 R4 E5 G11 V12 S13 P14 V21 L53 | R3-F7 HydrophobicContact CG-CD2 3.82Å; R3-F7 HydrophobicContact CG-CE2 3.47Å; R3-F7 VanDerWaalsContact CG-CE2 3.47Å; R3-F7 WeakPolarHBondContact O-CD2 3.34Å; R3-F7 PolarHBondContact O-N 3.41Å; R3-F7 VanDerWaalsContact O-N 3.16Å; R4-F7 PolarHBondContact O-N 2.94Å; E5-F7 PolarHBondContact O-N 2.95Å; F7-G11 PolarHBondContact O-N 3.08Å; F7-V12 WeakPolarHBondContact CB-O 3.21Å; F7-V12 HydrophobicContact CD1-CG2 3.68Å; F7-V12 HydrophobicContact CE1-CG2 4.3Å; F7-V12 PolarHBondContact O-N 3.04Å; F7-S13 VanDerWaalsContact CD1-O 3.31Å; F7-S13 WeakPolarHBondContact CD1-O 3.07Å; F7-S13 VanDerWaalsContact CE1-O 3.3Å; F7-S13 WeakPolarHBondContact CE1-O 3.3Å; F7-P14 HydrophobicContact CD2-CB 3.97Å; F7-P14 HydrophobicContact CD2-CG 4.23Å; F7-P14 VanDerWaalsContact CE2-CA 3.5Å; F7-P14 HydrophobicContact CE2-CB 3.97Å; F7-P14 HydrophobicContact CG-CB 4.48Å; F7-P14 HydrophobicContact CG-CG 4.47Å; F7-P14 HydrophobicContact CZ-CB 4.49Å; F7-P14 VanDerWaalsContact CZ-O 3.3Å; F7-P14 WeakPolarHBondContact CZ-O 3.3Å; F7-V21 HydrophobicContact CE1-CG2 4.48Å; F7-L53 HydrophobicContact CD1-CD1 4.01Å; F7-L53 HydrophobicContact CD1-CD2 4.23Å; F7-L53 HydrophobicContact CD2-CD2 4.04Å; F7-L53 HydrophobicContact CE1-CD1 4.03Å; F7-L53 HydrophobicContact CE1-CD2 3.9Å; F7-L53 HydrophobicContact CE2-CD2 3.7Å; F7-L53 HydrophobicContact CG-CD2 4.29Å; F7-L53 HydrophobicContact CZ-CD2 3.61Å |
| 8 | L | 98.2 | Very high | 95.8 | Very high | 122 Ų | 122 | 68.2 Ų | 68.2 | 64% | 0.639 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67 | -44.2 | 176.7 | -71.2 | 172.3 | 0 | 0 | 0 | 112.2 | R4 E5 A6 L10 G11 | R4-L8 HydrophobicContact CG-CD1 4.15Å; R4-L8 WeakPolarHBondContact O-CG 3.31Å; R4-L8 PolarHBondContact O-N 3.43Å; E5-L8 PolarHBondContact O-N 3.35Å; E5-L8 VanDerWaalsContact O-N 3.15Å; A6-L8 VanDerWaalsContact C-N 3.33Å; A6-L8 PolarHBondContact O-N 3.16Å; L8-L10 VanDerWaalsContact C-N 3.29Å; L8-L10 PolarHBondContact O-N 3.23Å; L8-G11 PolarHBondContact O-N 3.43Å |
| 9 | I | 98.4 | Very high | 95.8 | Very high | 48 Ų | 48 | 70.7 Ų | 70.7 | 25% | 0.246 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59 | -41.6 | 177.9 | -71.6 | 167.6 | 0 | 0 | 0 | 111.1 | M1 E5 A6 G11 I46 A49 | M1-I9 HydrophobicContact CE-CD1 3.6Å; M1-I9 HydrophobicContact SD-CD1 3.88Å; E5-I9 HydrophobicContact CG-CD1 3.93Å; E5-I9 WeakPolarHBondContact O-CG1 3.45Å; E5-I9 PolarHBondContact O-N 3.47Å; A6-I9 PolarHBondContact O-N 3.44Å; I9-G11 VanDerWaalsContact C-N 3.32Å; I9-I46 HydrophobicContact CG2-CG1 4.13Å; I9-A49 HydrophobicContact CB-CB 3.82Å; I9-A49 HydrophobicContact CD1-CB 4.08Å; I9-A49 HydrophobicContact CG2-CB 3.65Å |
| 10 | L | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -82.9 | -8.9 | 178.1 | -60.6 | -173.5 | 0 | 0 | 0 | 113.5 | A6 L8 V12 V21 A24 H25 I46 A49 K50 L53 | A6-L10 PolarHBondContact O-N 2.94Å; A6-L10 VanDerWaalsContact O-N 3.17Å; L8-L10 VanDerWaalsContact C-N 3.29Å; L8-L10 PolarHBondContact O-N 3.23Å; L10-V12 HydrophobicContact CB-CG2 3.9Å; L10-V21 HydrophobicContact CD1-CG1 3.75Å; L10-A24 HydrophobicContact CB-CB 4.42Å; L10-H25 HydrophobicContact CD2-CB 4.23Å; L10-I46 HydrophobicContact CD2-CG2 4.01Å; L10-A49 HydrophobicContact CD2-CB 4.32Å; L10-A49 HydrophobicContact CG-CB 4.16Å; L10-K50 HydrophobicContact CD1-CB 4.31Å; L10-L53 HydrophobicContact CD1-CD1 3.75Å |
| 11 | G | 98 | Very high | 95.9 | Very high | 57 Ų | 57 | 72.2 Ų | 72.2 | 59% | 0.588 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 40.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F7 L8 I9 | F7-G11 PolarHBondContact O-N 3.08Å; L8-G11 PolarHBondContact O-N 3.43Å; I9-G11 VanDerWaalsContact C-N 3.32Å |
| 12 | V | 97.8 | Very high | 96.4 | Very high | 17 Ų | 17 | 75.6 Ų | 75.6 | 10% | 0.103 | 39% | 0.393 | C | S | . | . | trans | -125.2 | 150.7 | -179.9 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | F7 L10 A16 R20 V21 A24 | F7-V12 WeakPolarHBondContact CB-O 3.21Å; F7-V12 HydrophobicContact CD1-CG2 3.68Å; F7-V12 HydrophobicContact CE1-CG2 4.3Å; F7-V12 PolarHBondContact O-N 3.04Å; L10-V12 HydrophobicContact CB-CG2 3.9Å; V12-A16 HydrophobicContact CB-CB 3.97Å; V12-A16 HydrophobicContact CG2-CB 4.28Å; V12-R20 HydrophobicContact CG1-CG 4.25Å; V12-V21 HydrophobicContact CG2-CG2 4.24Å; V12-A24 HydrophobicContact CG1-CB 3.33Å | ||
| 13 | S | 96.9 | Very high | 96.6 | Very high | 58 Ų | 58 | 76.2 Ų | 76.2 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | trans | -60.8 | 147 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | F7 S15 A16 | F7-S13 VanDerWaalsContact CD1-O 3.31Å; F7-S13 WeakPolarHBondContact CD1-O 3.07Å; F7-S13 VanDerWaalsContact CE1-O 3.3Å; F7-S13 WeakPolarHBondContact CE1-O 3.3Å; S13-S15 PolarHBondContact O-N 3.34Å; S13-S15 PolarHBondContact OG-N 2.88Å; S13-S15 PolarHBondContact OG-OG 2.83Å; S13-A16 WeakPolarHBondContact O-CB 3.09Å; S13-A16 PolarHBondContact O-N 3.22Å | ||
| 14 | P | 94.9 | Very high | 96.8 | Very high | 99 Ų | 99 | 70.6 Ų | 70.6 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -20.4 | 169.6 | -26 | 35.4 | 0 | 0 | 0 | 115.3 | F7 | F7-P14 HydrophobicContact CD2-CB 3.97Å; F7-P14 HydrophobicContact CD2-CG 4.23Å; F7-P14 VanDerWaalsContact CE2-CA 3.5Å; F7-P14 HydrophobicContact CE2-CB 3.97Å; F7-P14 HydrophobicContact CG-CB 4.48Å; F7-P14 HydrophobicContact CG-CG 4.47Å; F7-P14 HydrophobicContact CZ-CB 4.49Å; F7-P14 VanDerWaalsContact CZ-O 3.3Å; F7-P14 WeakPolarHBondContact CZ-O 3.3Å |
| 15 | S | 94.1 | Very high | 97 | Very high | 106 Ų | 106 | 62.7 Ų | 62.7 | 74% | 0.741 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 6.7 | 174.9 | 60.4 | 0 | 0 | 0 | 0 | 114 | S13 | S13-S15 PolarHBondContact O-N 3.34Å; S13-S15 PolarHBondContact OG-N 2.88Å; S13-S15 PolarHBondContact OG-OG 2.83Å |
| 16 | A | 94.5 | Very high | 97 | Very high | 18 Ų | 18 | 65.2 Ų | 65.2 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | trans | -63.3 | 138.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V12 S13 R20 V21 | V12-A16 HydrophobicContact CB-CB 3.97Å; V12-A16 HydrophobicContact CG2-CB 4.28Å; S13-A16 WeakPolarHBondContact O-CB 3.09Å; S13-A16 PolarHBondContact O-N 3.22Å; A16-R20 HydrophobicContact CB-CB 4.24Å; A16-R20 HydrophobicContact CB-CG 4.27Å; A16-V21 HydrophobicContact CB-CG2 4.29Å | ||
| 17 | S | 94.5 | Very high | 97 | Very high | 70 Ų | 70 | 72 Ų | 72 | 49% | 0.49 | 38% | 0.377 | S | S | . | . | trans | -66.4 | 157.7 | 173.1 | 68 | 0 | 0 | 0 | 0 | 111.4 | L19 R20 V21 | S17-L19 PolarHBondContact O-N 3.06Å; S17-R20 WeakPolarHBondContact O-CB 3.41Å; S17-R20 PolarHBondContact O-N 3.11Å; S17-R20 PolarHBondContact OG-N 3.4Å; S17-V21 PolarHBondContact O-N 3.47Å | ||
| 18 | K | 94.2 | Very high | 97.1 | Very high | 91 Ų | 91 | 72.3 Ų | 72.3 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -52.9 | -39.6 | 174.8 | -65.9 | -173.2 | -179.3 | -171.5 | 0 | 112.3 | V21 R22 N57 | K18-V21 PolarHBondContact O-N 2.93Å; K18-R22 WeakPolarHBondContact O-CG 3.29Å; K18-R22 PolarHBondContact O-N 3.18Å; K18-R22 VanDerWaalsContact O-N 3.1Å; K18-N57 WeakPolarHBondContact CE-ND2 3.47Å; K18-N57 PolarHBondContact NZ-O 3.19Å |
| 19 | L | 95.9 | Very high | 97.1 | Very high | 116 Ų | 116 | 67.7 Ų | 67.7 | 61% | 0.607 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.5 | -47.3 | 176.4 | 179.6 | 61.3 | 0 | 0 | 0 | 111 | S17 V21 R22 E23 | S17-L19 PolarHBondContact O-N 3.06Å; L19-V21 VanDerWaalsContact C-N 3.32Å; L19-V21 PolarHBondContact O-N 3.07Å; L19-R22 PolarHBondContact O-N 2.96Å; L19-E23 HydrophobicContact CD1-CG 4.35Å; L19-E23 WeakPolarHBondContact O-CG 3.44Å; L19-E23 PolarHBondContact O-N 3.37Å |
| 20 | R | 96.6 | Very high | 97.1 | Very high | 164 Ų | 164 | 70.2 Ų | 70.2 | 62% | 0.619 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.1 | -36.1 | 179.2 | -171.9 | 169.1 | -172.3 | 149.1 | 1.4 | 112.5 | V12 A16 S17 A24 | V12-R20 HydrophobicContact CG1-CG 4.25Å; A16-R20 HydrophobicContact CB-CB 4.24Å; A16-R20 HydrophobicContact CB-CG 4.27Å; S17-R20 WeakPolarHBondContact O-CB 3.41Å; S17-R20 PolarHBondContact O-N 3.11Å; S17-R20 PolarHBondContact OG-N 3.4Å; R20-A24 VanDerWaalsContact O-CB 3.26Å; R20-A24 WeakPolarHBondContact O-CB 3.49Å; R20-A24 PolarHBondContact O-N 3.43Å |
| 21 | V | 97.2 | Very high | 97 | Very high | 8 Ų | 8 | 76 Ų | 76 | 5% | 0.048 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62 | -45.4 | 174 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | F7 L10 V12 A16 S17 K18 L19 A24 H25 L53 | F7-V21 HydrophobicContact CE1-CG2 4.48Å; L10-V21 HydrophobicContact CD1-CG1 3.75Å; V12-V21 HydrophobicContact CG2-CG2 4.24Å; A16-V21 HydrophobicContact CB-CG2 4.29Å; S17-V21 PolarHBondContact O-N 3.47Å; K18-V21 PolarHBondContact O-N 2.93Å; L19-V21 VanDerWaalsContact C-N 3.32Å; L19-V21 PolarHBondContact O-N 3.07Å; V21-A24 PolarHBondContact O-N 3.05Å; V21-H25 WeakPolarHBondContact O-CB 3.35Å; V21-H25 PolarHBondContact O-N 3.01Å; V21-L53 HydrophobicContact CG1-CB 4.31Å; V21-L53 HydrophobicContact CG1-CD1 4.05Å; V21-L53 HydrophobicContact CG2-CD1 4.32Å |
| 22 | R | 97.8 | Very high | 97.1 | Very high | 126 Ų | 126 | 75.8 Ų | 75.8 | 48% | 0.475 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 178.5 | -69.1 | 175.1 | -172.7 | 166.1 | -0.1 | 112.6 | K18 L19 H25 K26 | K18-R22 WeakPolarHBondContact O-CG 3.29Å; K18-R22 PolarHBondContact O-N 3.18Å; K18-R22 VanDerWaalsContact O-N 3.1Å; L19-R22 PolarHBondContact O-N 2.96Å; R22-H25 PolarHBondContact O-N 3Å; R22-K26 WeakPolarHBondContact O-CG 3.23Å; R22-K26 PolarHBondContact O-N 3.49Å |
| 23 | E | 98.4 | Very high | 97.1 | Very high | 94 Ų | 94 | 78 Ų | 78 | 44% | 0.439 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 178 | -68 | -53.4 | 119.4 | 0 | 0 | 111.8 | L19 K26 R27 | L19-E23 HydrophobicContact CD1-CG 4.35Å; L19-E23 WeakPolarHBondContact O-CG 3.44Å; L19-E23 PolarHBondContact O-N 3.37Å; E23-K26 PolarHBondContact O-N 3.17Å; E23-K26 IonicContact OE1-NZ 3.62Å; E23-K26 PolarHBondContact OE1-NZ 2.88Å; E23-R27 WeakPolarHBondContact O-CB 3.5Å; E23-R27 PolarHBondContact O-N 2.79Å |
| 24 | A | 98.5 | Very high | 97.1 | Very high | 7 Ų | 7 | 77.3 Ų | 77.3 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L10 V12 R20 V21 R27 V28 | L10-A24 HydrophobicContact CB-CB 4.42Å; V12-A24 HydrophobicContact CG1-CB 3.33Å; R20-A24 VanDerWaalsContact O-CB 3.26Å; R20-A24 WeakPolarHBondContact O-CB 3.49Å; R20-A24 PolarHBondContact O-N 3.43Å; V21-A24 PolarHBondContact O-N 3.05Å; A24-R27 PolarHBondContact O-N 3.15Å; A24-V28 WeakPolarHBondContact O-CB 3.35Å; A24-V28 VanDerWaalsContact O-CG2 3.29Å; A24-V28 WeakPolarHBondContact O-CG2 3.37Å; A24-V28 PolarHBondContact O-N 3.48Å |
| 25 | H | 98.7 | Very high | 97.3 | Very high | 32 Ų | 32 | 79.3 Ų | 79.3 | 15% | 0.148 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57 | -52 | 174.4 | 170.6 | -100.9 | 0 | 0 | 0 | 111.6 | L10 V21 R22 R27 V28 M29 N47 K50 | L10-H25 HydrophobicContact CD2-CB 4.23Å; V21-H25 WeakPolarHBondContact O-CB 3.35Å; V21-H25 PolarHBondContact O-N 3.01Å; R22-H25 PolarHBondContact O-N 3Å; H25-R27 VanDerWaalsContact C-N 3.34Å; H25-R27 PolarHBondContact O-N 2.98Å; H25-V28 PolarHBondContact O-N 3.4Å; H25-M29 WeakPolarHBondContact O-CB 3.43Å; H25-M29 PolarHBondContact O-N 3.33Å; H25-N47 PolarHBondContact NE2-OD1 3.21Å; H25-K50 HydrophobicContact CB-CB 4.13Å; H25-K50 HydrophobicContact CB-CG 3.95Å; H25-K50 WeakPolarHBondContact CD2-CB 3.46Å |
| 26 | K | 98.7 | Very high | 97.4 | Very high | 122 Ų | 122 | 82.6 Ų | 82.6 | 53% | 0.53 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.5 | -47.4 | 177.3 | -70.5 | 174.3 | -172.9 | 166.3 | 0 | 112 | R22 E23 L30 | R22-K26 WeakPolarHBondContact O-CG 3.23Å; R22-K26 PolarHBondContact O-N 3.49Å; E23-K26 PolarHBondContact O-N 3.17Å; E23-K26 IonicContact OE1-NZ 3.62Å; E23-K26 PolarHBondContact OE1-NZ 2.88Å; K26-L30 VanDerWaalsContact O-CB 3.31Å; K26-L30 WeakPolarHBondContact O-CB 3.42Å; K26-L30 PolarHBondContact O-N 3.2Å |
| 27 | R | 98.5 | Very high | 97.5 | Very high | 143 Ų | 143 | 85.4 Ų | 85.4 | 54% | 0.54 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.4 | -51.3 | -178.8 | -177.2 | -177.4 | 66.5 | 94.9 | 2.7 | 111.8 | E23 A24 H25 L30 L31 | E23-R27 WeakPolarHBondContact O-CB 3.5Å; E23-R27 PolarHBondContact O-N 2.79Å; A24-R27 PolarHBondContact O-N 3.15Å; H25-R27 VanDerWaalsContact C-N 3.34Å; H25-R27 PolarHBondContact O-N 2.98Å; R27-L30 PolarHBondContact O-N 3.44Å; R27-L31 WeakPolarHBondContact O-CG 3.43Å; R27-L31 PolarHBondContact O-N 3.02Å |
| 28 | V | 98.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 83 Ų | 83 | 13% | 0.127 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69.9 | -37.8 | -177.2 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | A24 H25 L31 N32 I46 | A24-V28 WeakPolarHBondContact O-CB 3.35Å; A24-V28 VanDerWaalsContact O-CG2 3.29Å; A24-V28 WeakPolarHBondContact O-CG2 3.37Å; A24-V28 PolarHBondContact O-N 3.48Å; H25-V28 PolarHBondContact O-N 3.4Å; V28-L31 PolarHBondContact O-N 3.36Å; V28-N32 PolarHBondContact O-N 2.99Å; V28-N32 VanDerWaalsContact O-N 3.15Å; V28-N32 PolarHBondContact O-ND2 2.9Å; V28-I46 HydrophobicContact CG1-CD1 3.68Å; V28-I46 HydrophobicContact CG1-CG1 3.91Å |
| 29 | M | 98.6 | Very high | 97.8 | Very high | 24 Ų | 24 | 81.1 Ų | 81.1 | 12% | 0.118 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 174.4 | 179.9 | 57.8 | 76.2 | 0 | 0 | 111.4 | H25 L31 N32 H33 A43 I46 N47 | H25-M29 WeakPolarHBondContact O-CB 3.43Å; H25-M29 PolarHBondContact O-N 3.33Å; M29-L31 PolarHBondContact O-N 3.32Å; M29-N32 CarbonylContact O-C 3.39Å; M29-N32 PolarHBondContact O-N 2.87Å; M29-H33 WeakPolarHBondContact O-CA 3.38Å; M29-H33 WeakPolarHBondContact O-CB 3.48Å; M29-H33 PolarHBondContact O-N 3.22Å; M29-A43 HydrophobicContact CE-CB 4.2Å; M29-A43 WeakPolarHBondContact CE-O 3.41Å; M29-A43 HydrophobicContact SD-CB 3.84Å; M29-I46 HydrophobicContact CB-CG2 4.22Å; M29-I46 HydrophobicContact CE-CB 4.07Å; M29-I46 HydrophobicContact CE-CG2 3.91Å; M29-N47 WeakPolarHBondContact CE-ND2 3.47Å; M29-N47 WeakPolarHBondContact CE-OD1 3.42Å |
| 30 | L | 98.2 | Very high | 97.9 | Very high | 102 Ų | 102 | 79.9 Ų | 79.9 | 53% | 0.534 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59 | -36 | 179.6 | -178.6 | 64.5 | 0 | 0 | 0 | 112.3 | K26 R27 N32 R36 | K26-L30 VanDerWaalsContact O-CB 3.31Å; K26-L30 WeakPolarHBondContact O-CB 3.42Å; K26-L30 PolarHBondContact O-N 3.2Å; R27-L30 PolarHBondContact O-N 3.44Å; L30-N32 VanDerWaalsContact C-N 3.35Å; L30-R36 VanDerWaalsContact O-CD 3.26Å; L30-R36 WeakPolarHBondContact O-CD 3.43Å; L30-R36 PolarHBondContact O-NE 3.47Å |
| 31 | L | 97.5 | Very high | 98 | Very high | 122 Ų | 122 | 79.3 Ų | 79.3 | 64% | 0.639 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -72.8 | -26.5 | 176.8 | -69.7 | 170.7 | 0 | 0 | 0 | 113.4 | R27 V28 M29 | R27-L31 WeakPolarHBondContact O-CG 3.43Å; R27-L31 PolarHBondContact O-N 3.02Å; V28-L31 PolarHBondContact O-N 3.36Å; M29-L31 PolarHBondContact O-N 3.32Å |
| 32 | N | 98.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 82.1 Ų | 82.1 | 28% | 0.278 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -114.6 | 13.8 | -174.7 | -66.4 | -85.6 | 0 | 0 | 0 | 112.9 | V28 M29 L30 G38 I42 I46 | V28-N32 PolarHBondContact O-N 2.99Å; V28-N32 VanDerWaalsContact O-N 3.15Å; V28-N32 PolarHBondContact O-ND2 2.9Å; M29-N32 CarbonylContact O-C 3.39Å; M29-N32 PolarHBondContact O-N 2.87Å; L30-N32 VanDerWaalsContact C-N 3.35Å; N32-G38 WeakPolarHBondContact O-CA 3.33Å; N32-I42 HydrophobicContact CB-CG2 3.9Å; N32-I46 HydrophobicContact CB-CD1 3.64Å |
| 33 | H | 98.2 | Very high | 98.1 | Very high | 63 Ų | 63 | 76.5 Ų | 76.5 | 29% | 0.292 | 40% | 0.398 | S | S | . | . | trans | -66.9 | 136.5 | -176.1 | -165.6 | -90.5 | 0 | 0 | 0 | 110.3 | M29 D35 R36 G38 | M29-H33 WeakPolarHBondContact O-CA 3.38Å; M29-H33 WeakPolarHBondContact O-CB 3.48Å; M29-H33 PolarHBondContact O-N 3.22Å; H33-D35 VanDerWaalsContact C-N 3.29Å; H33-D35 IonicContact CE1-OD1 3.19Å; H33-D35 IonicContact CE1-OD2 3.62Å; H33-D35 PolarHBondContact CE1-OD2 3.1Å; H33-D35 WeakPolarHBondContact ND1-CB 2.95Å; H33-D35 PolarHBondContact ND1-N 2.99Å; H33-D35 IonicContact ND1-OD1 2.82Å; H33-D35 IonicContact ND1-OD2 2.67Å; H33-D35 PolarHBondContact O-N 3.37Å; H33-R36 HydrophobicContact CB-CB 4.46Å; H33-R36 HydrophobicContact CB-CG 4.31Å; H33-R36 WeakPolarHBondContact O-CA 3.41Å; H33-R36 PolarHBondContact O-N 3.1Å; H33-G38 WeakPolarHBondContact O-CA 3.47Å; H33-G38 PolarHBondContact O-N 3.23Å | ||
| 34 | P | 98.4 | Very high | 98.1 | Very high | 43 Ų | 43 | 74.6 Ų | 74.6 | 28% | 0.279 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -53.5 | -43.1 | -179.4 | -29.9 | 38.7 | 0 | 0 | 0 | 113.8 | R36 G37 G38 P40 A43 | P34-R36 PolarHBondContact O-N 2.67Å; P34-G37 PolarHBondContact O-N 2.95Å; P34-G38 WeakPolarHBondContact CA-O 3.47Å; P34-P40 HydrophobicContact CB-CG 4.16Å; P34-P40 HydrophobicContact CG-CB 4.31Å; P34-P40 HydrophobicContact CG-CG 4.12Å; P34-A43 HydrophobicContact CG-CB 4.13Å |
| 35 | D | 98 | Very high | 98.1 | Very high | 142 Ų | 142 | 76.9 Ų | 76.9 | 76% | 0.759 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -64.9 | -11.7 | 178.7 | -53.6 | -2.1 | 0 | 0 | 0 | 113.9 | H33 | H33-D35 VanDerWaalsContact C-N 3.29Å; H33-D35 IonicContact CE1-OD1 3.19Å; H33-D35 IonicContact CE1-OD2 3.62Å; H33-D35 PolarHBondContact CE1-OD2 3.1Å; H33-D35 WeakPolarHBondContact ND1-CB 2.95Å; H33-D35 PolarHBondContact ND1-N 2.99Å; H33-D35 IonicContact ND1-OD1 2.82Å; H33-D35 IonicContact ND1-OD2 2.67Å; H33-D35 PolarHBondContact O-N 3.37Å |
| 36 | R | 96.6 | Very high | 98.1 | Very high | 174 Ų | 174 | 75.5 Ų | 75.5 | 66% | 0.657 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -108.2 | 20.5 | 178 | -59.3 | 178.9 | 67.8 | 83.4 | 2.6 | 111.8 | L30 H33 P34 G38 | L30-R36 VanDerWaalsContact O-CD 3.26Å; L30-R36 WeakPolarHBondContact O-CD 3.43Å; L30-R36 PolarHBondContact O-NE 3.47Å; H33-R36 HydrophobicContact CB-CB 4.46Å; H33-R36 HydrophobicContact CB-CG 4.31Å; H33-R36 WeakPolarHBondContact O-CA 3.41Å; H33-R36 PolarHBondContact O-N 3.1Å; P34-R36 PolarHBondContact O-N 2.67Å; R36-G38 VanDerWaalsContact C-N 3.31Å |
| 37 | G | 96.7 | Very high | 98.1 | Very high | 77 Ų | 77 | 72.9 Ų | 72.9 | 79% | 0.794 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 10 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P34 | P34-G37 PolarHBondContact O-N 2.95Š|
| 38 | G | 97.5 | Very high | 98.1 | Very high | 21 Ų | 21 | 69.6 Ų | 69.6 | 22% | 0.216 | 38% | 0.383 | C | S | . | . | trans | -75.1 | 170 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N32 H33 P34 R36 | N32-G38 WeakPolarHBondContact O-CA 3.33Å; H33-G38 WeakPolarHBondContact O-CA 3.47Å; H33-G38 PolarHBondContact O-N 3.23Å; P34-G38 WeakPolarHBondContact CA-O 3.47Å; R36-G38 VanDerWaalsContact C-N 3.31Å | ||
| 39 | S | 97.9 | Very high | 98.1 | Very high | 50 Ų | 50 | 68.6 Ų | 68.6 | 35% | 0.35 | 38% | 0.377 | S | S | . | . | trans | -91.2 | 130.5 | 177.9 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | Y41 I42 A43 | S39-Y41 PolarHBondContact O-N 3.41Å; S39-Y41 PolarHBondContact OG-N 3.42Å; S39-I42 PolarHBondContact O-N 2.88Å; S39-A43 PolarHBondContact O-N 3.13Å | ||
| 40 | P | 98.3 | Very high | 98.1 | Very high | 91 Ų | 91 | 69.7 Ų | 69.7 | 59% | 0.591 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -52.7 | -36.2 | 170.8 | -26.8 | 34.2 | 0 | 0 | 0 | 113 | P34 A44 | P34-P40 HydrophobicContact CB-CG 4.16Å; P34-P40 HydrophobicContact CG-CB 4.31Å; P34-P40 HydrophobicContact CG-CG 4.12Å; P40-A44 WeakPolarHBondContact O-CB 3.26Å; P40-A44 PolarHBondContact O-N 2.96Å |
| 41 | Y | 98.4 | Very high | 98 | Very high | 151 Ų | 151 | 68.3 Ų | 68.3 | 59% | 0.592 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.1 | -43.9 | 176.7 | 174.7 | -103.9 | 0 | 0 | 0 | 112.1 | S39 A44 K45 | S39-Y41 PolarHBondContact O-N 3.41Å; S39-Y41 PolarHBondContact OG-N 3.42Å; Y41-A44 PolarHBondContact O-N 3.35Å; Y41-K45 HydrophobicContact CE1-CG 4.22Å; Y41-K45 HydrophobicContact CE2-CG 4.35Å; Y41-K45 WeakPolarHBondContact O-CG 3.35Å; Y41-K45 PolarHBondContact O-N 2.89Å; Y41-K45 WeakPolarHBondContact OH-CE 3Å |
| 42 | I | 98.2 | Very high | 98 | Very high | 68 Ų | 68 | 65.9 Ų | 65.9 | 35% | 0.349 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 178.2 | -61.3 | -63.1 | 0 | 0 | 0 | 110.8 | N32 S39 A44 K45 I46 | N32-I42 HydrophobicContact CB-CG2 3.9Å; S39-I42 PolarHBondContact O-N 2.88Å; I42-A44 VanDerWaalsContact C-N 3.32Å; I42-A44 PolarHBondContact O-N 3.34Å; I42-K45 WeakPolarHBondContact O-CB 3.33Å; I42-K45 PolarHBondContact O-N 3.43Å; I42-K45 VanDerWaalsContact O-N 3.13Å; I42-I46 HydrophobicContact CG2-CD1 3.91Å; I42-I46 WeakPolarHBondContact O-CD1 3.29Å; I42-I46 WeakPolarHBondContact O-CG1 3.41Å; I42-I46 PolarHBondContact O-N 2.91Å |
| 43 | A | 98.7 | Very high | 97.9 | Very high | 7 Ų | 7 | 63.8 Ų | 63.8 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.4 | -44 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | M29 P34 S39 K45 I46 N47 | M29-A43 HydrophobicContact CE-CB 4.2Å; M29-A43 WeakPolarHBondContact CE-O 3.41Å; M29-A43 HydrophobicContact SD-CB 3.84Å; P34-A43 HydrophobicContact CG-CB 4.13Å; S39-A43 PolarHBondContact O-N 3.13Å; A43-K45 VanDerWaalsContact C-N 3.32Å; A43-K45 PolarHBondContact O-N 3.46Å; A43-I46 PolarHBondContact O-N 2.91Å; A43-N47 PolarHBondContact O-N 2.98Å; A43-N47 PolarHBondContact O-ND2 3.01Å |
| 44 | A | 98.5 | Very high | 97.6 | Very high | 55 Ų | 55 | 62.5 Ų | 62.5 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | P40 Y41 I42 N47 E48 | P40-A44 WeakPolarHBondContact O-CB 3.26Å; P40-A44 PolarHBondContact O-N 2.96Å; Y41-A44 PolarHBondContact O-N 3.35Å; I42-A44 VanDerWaalsContact C-N 3.32Å; I42-A44 PolarHBondContact O-N 3.34Å; A44-N47 PolarHBondContact O-N 2.82Å; A44-E48 WeakPolarHBondContact O-CB 3.38Å; A44-E48 PolarHBondContact O-N 3.03Å |
| 45 | K | 98.6 | Very high | 97.2 | Very high | 54 Ų | 54 | 68.4 Ų | 68.4 | 24% | 0.235 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 175.9 | -74.1 | -73.5 | 165.8 | -160.9 | 0 | 113.2 | Y41 I42 A43 E48 A49 | Y41-K45 HydrophobicContact CE1-CG 4.22Å; Y41-K45 HydrophobicContact CE2-CG 4.35Å; Y41-K45 WeakPolarHBondContact O-CG 3.35Å; Y41-K45 PolarHBondContact O-N 2.89Å; Y41-K45 WeakPolarHBondContact OH-CE 3Å; I42-K45 WeakPolarHBondContact O-CB 3.33Å; I42-K45 PolarHBondContact O-N 3.43Å; I42-K45 VanDerWaalsContact O-N 3.13Å; A43-K45 VanDerWaalsContact C-N 3.32Å; A43-K45 PolarHBondContact O-N 3.46Å; K45-E48 IonicContact NZ-OE2 3.82Å; K45-E48 PolarHBondContact NZ-OE2 3.27Å; K45-E48 PolarHBondContact O-N 3.3Å; K45-A49 WeakPolarHBondContact O-CB 3.42Å; K45-A49 PolarHBondContact O-N 3Å |
| 46 | I | 98.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 175.1 | -67.1 | 157.7 | 0 | 0 | 0 | 110.7 | I9 L10 V28 M29 N32 I42 A43 A49 K50 | I9-I46 HydrophobicContact CG2-CG1 4.13Å; L10-I46 HydrophobicContact CD2-CG2 4.01Å; V28-I46 HydrophobicContact CG1-CD1 3.68Å; V28-I46 HydrophobicContact CG1-CG1 3.91Å; M29-I46 HydrophobicContact CB-CG2 4.22Å; M29-I46 HydrophobicContact CE-CB 4.07Å; M29-I46 HydrophobicContact CE-CG2 3.91Å; N32-I46 HydrophobicContact CB-CD1 3.64Å; I42-I46 HydrophobicContact CG2-CD1 3.91Å; I42-I46 WeakPolarHBondContact O-CD1 3.29Å; I42-I46 WeakPolarHBondContact O-CG1 3.41Å; I42-I46 PolarHBondContact O-N 2.91Å; A43-I46 PolarHBondContact O-N 2.91Å; I46-A49 PolarHBondContact O-N 3.18Å; I46-K50 PolarHBondContact O-N 2.84Å; I46-K50 VanDerWaalsContact O-N 3.1Å |
| 47 | N | 98.5 | Very high | 94.8 | Very high | 66 Ų | 66 | 58.4 Ų | 58.4 | 35% | 0.353 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 174.9 | -74.2 | -29.1 | 0 | 0 | 0 | 112 | H25 M29 A43 A44 A49 K50 D51 | H25-N47 PolarHBondContact NE2-OD1 3.21Å; M29-N47 WeakPolarHBondContact CE-ND2 3.47Å; M29-N47 WeakPolarHBondContact CE-OD1 3.42Å; A43-N47 PolarHBondContact O-N 2.98Å; A43-N47 PolarHBondContact O-ND2 3.01Å; A44-N47 PolarHBondContact O-N 2.82Å; N47-A49 VanDerWaalsContact C-N 3.28Å; N47-A49 PolarHBondContact O-N 2.95Å; N47-K50 PolarHBondContact O-N 2.81Å; N47-D51 WeakPolarHBondContact O-CB 3.42Å; N47-D51 PolarHBondContact O-N 3.37Å |
| 48 | E | 98.4 | Very high | 93 | Very high | 74 Ų | 74 | 60.2 Ų | 60.2 | 35% | 0.346 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.7 | -43.8 | 176.8 | -169.8 | -171.1 | 167.7 | 0 | 0 | 111.1 | M1 A44 K45 F52 | M1-E48 HydrophobicContact CB-CG 4.46Å; M1-E48 HydrophobicContact CE-CB 3.91Å; M1-E48 HydrophobicContact CE-CG 3.66Å; A44-E48 WeakPolarHBondContact O-CB 3.38Å; A44-E48 PolarHBondContact O-N 3.03Å; K45-E48 IonicContact NZ-OE2 3.82Å; K45-E48 PolarHBondContact NZ-OE2 3.27Å; K45-E48 PolarHBondContact O-N 3.3Å; E48-F52 VanDerWaalsContact O-CB 3.23Å; E48-F52 WeakPolarHBondContact O-CB 3.42Å; E48-F52 PolarHBondContact O-N 3.26Å |
| 49 | A | 98.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1 A6 I9 L10 K45 I46 N47 F52 L53 | M1-A49 HydrophobicContact CE-CB 4.19Å; M1-A49 HydrophobicContact SD-CB 4.46Å; A6-A49 HydrophobicContact CB-CB 3.99Å; I9-A49 HydrophobicContact CB-CB 3.82Å; I9-A49 HydrophobicContact CD1-CB 4.08Å; I9-A49 HydrophobicContact CG2-CB 3.65Å; L10-A49 HydrophobicContact CD2-CB 4.32Å; L10-A49 HydrophobicContact CG-CB 4.16Å; K45-A49 WeakPolarHBondContact O-CB 3.42Å; K45-A49 PolarHBondContact O-N 3Å; I46-A49 PolarHBondContact O-N 3.18Å; N47-A49 VanDerWaalsContact C-N 3.28Å; N47-A49 PolarHBondContact O-N 2.95Å; A49-F52 PolarHBondContact O-N 3.47Å; A49-L53 WeakPolarHBondContact O-CG 3.44Å; A49-L53 PolarHBondContact O-N 3.38Å; A49-L53 VanDerWaalsContact O-N 3.11Å |
| 50 | K | 97.7 | Very high | 90.2 | Very high | 47 Ų | 47 | 74.7 Ų | 74.7 | 20% | 0.204 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.3 | -49 | 177.1 | 175.9 | -77.7 | -163.9 | -170.6 | 0 | 110.5 | L10 H25 I46 N47 F52 L53 D54 | L10-K50 HydrophobicContact CD1-CB 4.31Å; H25-K50 HydrophobicContact CB-CB 4.13Å; H25-K50 HydrophobicContact CB-CG 3.95Å; H25-K50 WeakPolarHBondContact CD2-CB 3.46Å; I46-K50 PolarHBondContact O-N 2.84Å; I46-K50 VanDerWaalsContact O-N 3.1Å; N47-K50 PolarHBondContact O-N 2.81Å; K50-F52 VanDerWaalsContact C-N 3.3Å; K50-F52 PolarHBondContact O-N 3.01Å; K50-L53 PolarHBondContact O-N 3.47Å; K50-D54 WeakPolarHBondContact CD-OD2 3.45Å; K50-D54 WeakPolarHBondContact CE-OD2 3.38Å; K50-D54 IonicContact NZ-OD2 2.79Å; K50-D54 PolarHBondContact NZ-OD2 3.15Å; K50-D54 PolarHBondContact O-N 2.98Å |
| 51 | D | 97.2 | Very high | 89.8 | Confident | 74 Ų | 74 | 73.8 Ų | 73.8 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.4 | -34.9 | -176.6 | -72.7 | -18.3 | 0 | 0 | 0 | 112 | N47 K55 | N47-D51 WeakPolarHBondContact O-CB 3.42Å; N47-D51 PolarHBondContact O-N 3.37Å; D51-K55 WeakPolarHBondContact O-CB 3.07Å; D51-K55 VanDerWaalsContact O-CG 3.29Å; D51-K55 WeakPolarHBondContact O-CG 3.31Å; D51-K55 PolarHBondContact O-N 3.42Å |
| 52 | F | 96.9 | Very high | 89.3 | Confident | 71 Ų | 71 | 69.6 Ų | 69.6 | 31% | 0.311 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 172.4 | -175 | -85.6 | 0 | 0 | 0 | 111.6 | M1 R3 A6 E48 A49 K50 S56 | M1-F52 HydrophobicContact CB-CB 4.48Å; M1-F52 HydrophobicContact CB-CD2 3.76Å; M1-F52 HydrophobicContact CB-CE2 4.23Å; M1-F52 HydrophobicContact CB-CG 4.15Å; M1-F52 HydrophobicContact CG-CB 3.78Å; M1-F52 HydrophobicContact CG-CD1 4.11Å; M1-F52 HydrophobicContact CG-CD2 3.75Å; M1-F52 HydrophobicContact CG-CE2 4.38Å; M1-F52 HydrophobicContact CG-CG 3.59Å; M1-F52 WeakPolarHBondContact O-CE2 3.37Å; R3-F52 HydrophobicContact CB-CE1 3.93Å; A6-F52 HydrophobicContact CB-CD1 4.06Å; E48-F52 VanDerWaalsContact O-CB 3.23Å; E48-F52 WeakPolarHBondContact O-CB 3.42Å; E48-F52 PolarHBondContact O-N 3.26Å; A49-F52 PolarHBondContact O-N 3.47Å; K50-F52 VanDerWaalsContact C-N 3.3Å; K50-F52 PolarHBondContact O-N 3.01Å; F52-S56 WeakPolarHBondContact O-CB 3.26Å; F52-S56 PolarHBondContact O-N 2.82Å |
| 53 | L | 95.5 | Very high | 88.8 | Confident | 8 Ų | 8 | 69.6 Ų | 69.6 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.3 | -42.5 | -179.5 | -70 | 173.2 | 0 | 0 | 0 | 112 | R3 A6 F7 L10 V21 A49 K50 K55 S56 N57 | R3-L53 HydrophobicContact CG-CD2 4.29Å; A6-L53 HydrophobicContact CB-CD1 4.03Å; A6-L53 HydrophobicContact CB-CD2 3.98Å; A6-L53 HydrophobicContact CB-CG 3.72Å; F7-L53 HydrophobicContact CD1-CD1 4.01Å; F7-L53 HydrophobicContact CD1-CD2 4.23Å; F7-L53 HydrophobicContact CD2-CD2 4.04Å; F7-L53 HydrophobicContact CE1-CD1 4.03Å; F7-L53 HydrophobicContact CE1-CD2 3.9Å; F7-L53 HydrophobicContact CE2-CD2 3.7Å; F7-L53 HydrophobicContact CG-CD2 4.29Å; F7-L53 HydrophobicContact CZ-CD2 3.61Å; L10-L53 HydrophobicContact CD1-CD1 3.75Å; V21-L53 HydrophobicContact CG1-CB 4.31Å; V21-L53 HydrophobicContact CG1-CD1 4.05Å; V21-L53 HydrophobicContact CG2-CD1 4.32Å; A49-L53 WeakPolarHBondContact O-CG 3.44Å; A49-L53 PolarHBondContact O-N 3.38Å; A49-L53 VanDerWaalsContact O-N 3.11Å; K50-L53 PolarHBondContact O-N 3.47Å; L53-K55 PolarHBondContact O-N 2.92Å; L53-S56 PolarHBondContact O-N 3.02Å; L53-S56 PolarHBondContact O-OG 3.42Å; L53-N57 WeakPolarHBondContact O-CB 3.41Å; L53-N57 PolarHBondContact O-N 3.21Å |
| 54 | D | 93.2 | Very high | 88.2 | Confident | 35 Ų | 35 | 73.6 Ų | 73.6 | 19% | 0.187 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 176.4 | -85.8 | -14.7 | 0 | 0 | 0 | 112 | K50 S56 N57 T58 | K50-D54 WeakPolarHBondContact CD-OD2 3.45Å; K50-D54 WeakPolarHBondContact CE-OD2 3.38Å; K50-D54 IonicContact NZ-OD2 2.79Å; K50-D54 PolarHBondContact NZ-OD2 3.15Å; K50-D54 PolarHBondContact O-N 2.98Å; D54-S56 VanDerWaalsContact C-N 3.32Å; D54-S56 PolarHBondContact O-N 3.24Å; D54-N57 PolarHBondContact O-N 3.25Å; D54-T58 PolarHBondContact O-OG1 3.02Å |
| 55 | K | 89.3 | Confident | 87.5 | Confident | 168 Ų | 168 | 74.8 Ų | 74.8 | 73% | 0.73 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.3 | -41.2 | 176.5 | -74.2 | 175.5 | -177.7 | 177.9 | 0 | 111.9 | D51 L53 N57 T58 | D51-K55 WeakPolarHBondContact O-CB 3.07Å; D51-K55 VanDerWaalsContact O-CG 3.29Å; D51-K55 WeakPolarHBondContact O-CG 3.31Å; D51-K55 PolarHBondContact O-N 3.42Å; L53-K55 PolarHBondContact O-N 2.92Å; K55-N57 PolarHBondContact O-N 2.91Å; K55-N57 VanDerWaalsContact O-N 3.16Å; K55-T58 PolarHBondContact O-N 3.01Å |
| 56 | S | 77.7 | Confident | 86.7 | Confident | 33 Ų | 33 | 76.3 Ų | 76.3 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68 | -14.1 | -177.7 | 82.8 | 0 | 0 | 0 | 0 | 114.2 | R3 F52 L53 D54 | R3-S56 PolarHBondContact NH2-O 3.29Å; R3-S56 PolarHBondContact NH2-OG 3.03Å; F52-S56 WeakPolarHBondContact O-CB 3.26Å; F52-S56 PolarHBondContact O-N 2.82Å; L53-S56 PolarHBondContact O-N 3.02Å; L53-S56 PolarHBondContact O-OG 3.42Å; D54-S56 VanDerWaalsContact C-N 3.32Å; D54-S56 PolarHBondContact O-N 3.24Å |
| 57 | N | 67.3 | Low | 85.8 | Confident | 73 Ų | 73 | 81.8 Ų | 81.8 | 39% | 0.39 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 14.3 | -173.9 | -133.3 | 102.1 | 0 | 0 | 0 | 113.2 | K18 L53 D54 K55 | K18-N57 WeakPolarHBondContact CE-ND2 3.47Å; K18-N57 PolarHBondContact NZ-O 3.19Å; L53-N57 WeakPolarHBondContact O-CB 3.41Å; L53-N57 PolarHBondContact O-N 3.21Å; D54-N57 PolarHBondContact O-N 3.25Å; K55-N57 PolarHBondContact O-N 2.91Å; K55-N57 VanDerWaalsContact O-N 3.16Å |
| 58 | T | 58.9 | Low | 84.7 | Confident | 114 Ų | 114 | 83.2 Ų | 83.2 | 70% | 0.699 | 39% | 0.389 | S | S | * | . | trans | -113.1 | 21.8 | 179.4 | -48.8 | 0 | 0 | 0 | 0 | 111.8 | D54 K55 | D54-T58 PolarHBondContact O-OG1 3.02Å; K55-T58 PolarHBondContact O-N 3.01Å | ||
| 59 | R | 46 | Very low | 83.5 | Confident | 301 Ų | 301 | 84 Ų | 84 | 100% | 1.136 | 39% | 0.393 | S | S | * | . | trans | -104.9 | 0 | 159.2 | -78.9 | -171.7 | -175.5 | -177.8 | 1.3 | 108.3 |
Retrieved 59 of 59 residues in 169 ms
(Link to these results)