| 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 | F | 81 | Confident | 84.8 | Confident | 16 Ų | 16 | 69.5 Ų | 69.5 | 7% | 0.07 | 38% | 0.378 | C | S | . | . | 0 | -34.9 | 0 | -80.3 | -88.4 | 0 | 0 | 0 | 112.9 | E3 I4 F6 F14 Y19 I20 P22 Q26 I30 I47 | F1-E3 PolarHBondContact O-N 2.68Å; F1-E3 VanDerWaalsContact O-N 3.12Å; F1-I4 PolarHBondContact O-N 3.33Å; F1-F6 HydrophobicContact CD1-CE2 4.43Å; F1-F14 HydrophobicContact CB-CB 4.28Å; F1-F14 HydrophobicContact CB-CD2 3.97Å; F1-F14 HydrophobicContact CB-CG 4.19Å; F1-F14 HydrophobicContact CD1-CD1 4.13Å; F1-F14 AromaticContact CD1-CD2 3.84Å; F1-F14 HydrophobicContact CD1-CD2 3.84Å; F1-F14 AromaticContact CD1-CE1 3.98Å; F1-F14 HydrophobicContact CD1-CE1 3.98Å; F1-F14 AromaticContact CD1-CE2 3.67Å; F1-F14 HydrophobicContact CD1-CE2 3.67Å; F1-F14 HydrophobicContact CD1-CG 4.06Å; F1-F14 AromaticContact CD1-CZ 3.72Å; F1-F14 HydrophobicContact CD1-CZ 3.72Å; F1-F14 HydrophobicContact CE1-CD1 4.36Å; F1-F14 AromaticContact CE1-CE1 3.94Å; F1-F14 HydrophobicContact CE1-CE1 3.94Å; F1-F14 HydrophobicContact CE1-CE2 4.31Å; F1-F14 AromaticContact CE1-CZ 3.88Å; F1-F14 HydrophobicContact CE1-CZ 3.88Å; F1-F14 HydrophobicContact CG-CD1 4.48Å; F1-F14 HydrophobicContact CG-CD2 4.17Å; F1-F14 HydrophobicContact CG-CE2 4.45Å; F1-F14 HydrophobicContact CG-CG 4.19Å; F1-Y19 WeakPolarHBondContact CD2-O 3.41Å; F1-Y19 HydrophobicContact CE2-CD1 4.44Å; F1-Y19 HydrophobicContact CE2-CG 4.48Å; F1-I20 PolarHBondContact N-O 2.86Å; F1-P22 HydrophobicContact CD2-CB 4.36Å; F1-P22 VanDerWaalsContact CE2-CA 3.44Å; F1-P22 HydrophobicContact CE2-CB 3.89Å; F1-P22 HydrophobicContact CZ-CB 3.98Å; F1-Q26 HydrophobicContact CZ-CG 4.28Å; F1-I30 HydrophobicContact CD1-CD1 4.41Å; F1-I30 HydrophobicContact CE1-CD1 3.59Å; F1-I30 HydrophobicContact CZ-CD1 4.28Å; F1-I47 HydrophobicContact CE1-CG2 3.82Å; F1-I47 HydrophobicContact CZ-CG2 3.91Å | |||
| 2 | N | 76 | Confident | 85 | Confident | 126 Ų | 126 | 68.7 Ų | 68.7 | 67% | 0.674 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.2 | -175.7 | -62.3 | -10.1 | 0 | 0 | 0 | 115.8 | ||
| 3 | E | 80.4 | Confident | 85.2 | Confident | 194 Ų | 194 | 63.7 Ų | 63.7 | 91% | 0.907 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -13.2 | 178.2 | -65 | 170.6 | -173.5 | 0 | 0 | 113.4 | F1 | F1-E3 PolarHBondContact O-N 2.68Å; F1-E3 VanDerWaalsContact O-N 3.12Å |
| 4 | I | 82.8 | Confident | 85.4 | Confident | 30 Ų | 30 | 59.2 Ų | 59.2 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -88.1 | 130.2 | -178.4 | -54.1 | 176.9 | 0 | 0 | 0 | 108.1 | F1 F6 I30 L34 | F1-I4 PolarHBondContact O-N 3.33Å; I4-F6 HydrophobicContact CB-CD2 3.73Å; I4-F6 HydrophobicContact CB-CE2 3.8Å; I4-F6 HydrophobicContact CD1-CE2 4.18Å; I4-F6 HydrophobicContact CG2-CD2 3.52Å; I4-F6 HydrophobicContact CG2-CE2 3.38Å; I4-F6 HydrophobicContact CG2-CG 4.37Å; I4-F6 HydrophobicContact CG2-CZ 4.11Å; I4-F6 PolarHBondContact O-N 3.46Å; I4-I30 HydrophobicContact CD1-CB 4.41Å; I4-I30 HydrophobicContact CD1-CD1 4.39Å; I4-I30 HydrophobicContact CD1-CG2 3.86Å; I4-I30 HydrophobicContact CG2-CG2 3.78Å; I4-L34 HydrophobicContact CG2-CD1 3.46Å; I4-L34 VanDerWaalsContact CG2-CD1 3.46Å |
| 5 | P | 85.1 | Confident | 85.4 | Confident | 108 Ų | 108 | 60.4 Ų | 60.4 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | trans | -76.5 | 58.9 | -172 | 33.2 | -38.2 | 0 | 0 | 0 | 112.7 | H55 | P5-H55 PolarHBondContact O-CE1 2.86Š| ||
| 6 | F | 87.7 | Confident | 85.5 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 7% | 0.066 | 35% | 0.351 | C | S | . | . | trans | -73.1 | 163.1 | 173.8 | -78.5 | -69.1 | 0 | 0 | 0 | 111.8 | F1 I4 N8 I10 F14 I30 L34 A51 H55 | F1-F6 HydrophobicContact CD1-CE2 4.43Å; I4-F6 HydrophobicContact CB-CD2 3.73Å; I4-F6 HydrophobicContact CB-CE2 3.8Å; I4-F6 HydrophobicContact CD1-CE2 4.18Å; I4-F6 HydrophobicContact CG2-CD2 3.52Å; I4-F6 HydrophobicContact CG2-CE2 3.38Å; I4-F6 HydrophobicContact CG2-CG 4.37Å; I4-F6 HydrophobicContact CG2-CZ 4.11Å; I4-F6 PolarHBondContact O-N 3.46Å; F6-N8 PolarHBondContact O-N 3.04Å; F6-I10 HydrophobicContact CB-CB 4.34Å; F6-I10 HydrophobicContact CB-CG2 4.3Å; F6-I10 HydrophobicContact CD1-CG2 4.21Å; F6-I10 HydrophobicContact CG-CG2 4.29Å; F6-F14 HydrophobicContact CD2-CD2 4.42Å; F6-F14 AromaticContact CD2-CE2 3.49Å; F6-F14 HydrophobicContact CD2-CE2 3.49Å; F6-F14 VanDerWaalsContact CD2-CE2 3.49Å; F6-F14 HydrophobicContact CD2-CZ 4.26Å; F6-F14 AromaticContact CE2-CE2 3.62Å; F6-F14 HydrophobicContact CE2-CE2 3.62Å; F6-F14 AromaticContact CE2-CZ 3.98Å; F6-F14 HydrophobicContact CE2-CZ 3.98Å; F6-F14 AromaticContact CG-CE2 3.98Å; F6-F14 HydrophobicContact CG-CE2 3.98Å; F6-F14 HydrophobicContact CZ-CE2 4.26Å; F6-F14 HydrophobicContact CZ-CZ 4.24Å; F6-I30 HydrophobicContact CE1-CG2 4.3Å; F6-I30 HydrophobicContact CE2-CG2 3.69Å; F6-I30 HydrophobicContact CZ-CB 4.49Å; F6-I30 HydrophobicContact CZ-CD1 4.33Å; F6-I30 HydrophobicContact CZ-CG1 4.47Å; F6-I30 HydrophobicContact CZ-CG2 3.3Å; F6-L34 HydrophobicContact CD1-CD1 4.38Å; F6-L34 HydrophobicContact CD1-CD2 4.21Å; F6-L34 HydrophobicContact CE1-CD1 3.98Å; F6-L34 HydrophobicContact CE1-CD2 3.87Å; F6-L34 HydrophobicContact CE1-CG 4.24Å; F6-L34 HydrophobicContact CZ-CD1 4.09Å; F6-A51 HydrophobicContact CE1-CB 3.67Å; F6-A51 HydrophobicContact CZ-CB 3.63Å; F6-H55 HydrophobicContact CD1-CB 4.01Å; F6-H55 HydrophobicContact CE1-CB 4.38Å | ||
| 7 | N | 87.3 | Confident | 85.4 | Confident | 55 Ų | 55 | 62.1 Ų | 62.1 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | trans | -60 | 140.6 | 170 | 178.4 | -71.7 | 0 | 0 | 0 | 109.1 | V9 I10 A11 H55 L58 | N7-V9 PolarHBondContact O-N 2.92Å; N7-V9 VanDerWaalsContact O-N 3.08Å; N7-V9 WeakPolarHBondContact OD1-CB 3.45Å; N7-V9 PolarHBondContact OD1-N 2.93Å; N7-I10 HydrophobicContact CB-CD1 4.16Å; N7-I10 HydrophobicContact CB-CG1 4.31Å; N7-I10 WeakPolarHBondContact O-CA 3.44Å; N7-I10 WeakPolarHBondContact O-CB 3.44Å; N7-I10 PolarHBondContact O-N 3.13Å; N7-A11 PolarHBondContact O-N 2.71Å; N7-H55 PolarHBondContact N-ND1 3.1Å; N7-L58 HydrophobicContact CB-CD1 4.05Å | ||
| 8 | N | 86.6 | Confident | 85.2 | Confident | 140 Ų | 140 | 61.4 Ų | 61.4 | 75% | 0.749 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -51.8 | -36.1 | -175.7 | -68.2 | -14.9 | 0 | 0 | 0 | 113.5 | F6 A11 A12 | F6-N8 PolarHBondContact O-N 3.04Å; N8-A11 PolarHBondContact O-N 3.21Å; N8-A12 WeakPolarHBondContact O-CB 3.46Å; N8-A12 PolarHBondContact O-N 3.08Å |
| 9 | V | 88.3 | Confident | 85 | Confident | 51 Ų | 51 | 61.2 Ų | 61.2 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 178.5 | -175 | 0 | 0 | 0 | 0 | 111.1 | N7 A12 N13 N119 | N7-V9 PolarHBondContact O-N 2.92Å; N7-V9 VanDerWaalsContact O-N 3.08Å; N7-V9 WeakPolarHBondContact OD1-CB 3.45Å; N7-V9 PolarHBondContact OD1-N 2.93Å; V9-A12 PolarHBondContact O-N 3.28Å; V9-N13 PolarHBondContact O-N 3.44Å; V9-N13 PolarHBondContact O-ND2 3.05Å; V9-N119 HydrophobicContact CG1-CB 4.05Å; V9-N119 WeakPolarHBondContact CG1-O 3.39Å |
| 10 | I | 89.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 176.9 | -59.5 | 174.9 | 0 | 0 | 0 | 110.1 | F6 N7 A12 N13 F14 F54 H55 L58 | F6-I10 HydrophobicContact CB-CB 4.34Å; F6-I10 HydrophobicContact CB-CG2 4.3Å; F6-I10 HydrophobicContact CD1-CG2 4.21Å; F6-I10 HydrophobicContact CG-CG2 4.29Å; N7-I10 HydrophobicContact CB-CD1 4.16Å; N7-I10 HydrophobicContact CB-CG1 4.31Å; N7-I10 WeakPolarHBondContact O-CA 3.44Å; N7-I10 WeakPolarHBondContact O-CB 3.44Å; N7-I10 PolarHBondContact O-N 3.13Å; I10-A12 VanDerWaalsContact C-N 3.34Å; I10-A12 PolarHBondContact O-N 2.94Å; I10-N13 WeakPolarHBondContact O-CA 3.23Å; I10-N13 WeakPolarHBondContact O-CB 3.27Å; I10-N13 PolarHBondContact O-N 2.94Å; I10-N13 VanDerWaalsContact O-N 3.08Å; I10-F14 HydrophobicContact CG2-CD2 4.3Å; I10-F14 HydrophobicContact CG2-CE1 4.47Å; I10-F14 HydrophobicContact CG2-CE2 3.63Å; I10-F14 HydrophobicContact CG2-CZ 3.75Å; I10-F14 PolarHBondContact O-N 2.8Å; I10-F54 HydrophobicContact CD1-CB 3.74Å; I10-F54 HydrophobicContact CG1-CB 4.5Å; I10-H55 HydrophobicContact CD1-CB 3.91Å; I10-H55 VanDerWaalsContact CD1-N 3.28Å; I10-L58 HydrophobicContact CD1-CD1 3.91Å; I10-L58 HydrophobicContact CG1-CD1 3.98Å |
| 11 | A | 88 | Confident | 84.4 | Confident | 29 Ų | 29 | 68.5 Ų | 68.5 | 24% | 0.24 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N7 N8 N13 F14 S15 | N7-A11 PolarHBondContact O-N 2.71Å; N8-A11 PolarHBondContact O-N 3.21Å; A11-N13 VanDerWaalsContact C-N 3.3Å; A11-N13 PolarHBondContact O-N 3.43Å; A11-F14 PolarHBondContact O-N 3.48Å; A11-S15 PolarHBondContact O-N 2.93Å; A11-S15 PolarHBondContact O-OG 3.12Å |
| 12 | A | 87.7 | Confident | 84.5 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 50% | 0.496 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | N8 V9 I10 S15 R16 | N8-A12 WeakPolarHBondContact O-CB 3.46Å; N8-A12 PolarHBondContact O-N 3.08Å; V9-A12 PolarHBondContact O-N 3.28Å; I10-A12 VanDerWaalsContact C-N 3.34Å; I10-A12 PolarHBondContact O-N 2.94Å; A12-S15 PolarHBondContact O-N 3.25Å; A12-R16 WeakPolarHBondContact O-CB 3.21Å; A12-R16 PolarHBondContact O-N 3.48Å |
| 13 | N | 88 | Confident | 84.6 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.3 | -35.3 | 176 | -76.6 | -38.8 | 0 | 0 | 0 | 113.4 | V9 I10 A11 S15 R16 L17 M116 R118 | V9-N13 PolarHBondContact O-N 3.44Å; V9-N13 PolarHBondContact O-ND2 3.05Å; I10-N13 WeakPolarHBondContact O-CA 3.23Å; I10-N13 WeakPolarHBondContact O-CB 3.27Å; I10-N13 PolarHBondContact O-N 2.94Å; I10-N13 VanDerWaalsContact O-N 3.08Å; A11-N13 VanDerWaalsContact C-N 3.3Å; A11-N13 PolarHBondContact O-N 3.43Å; N13-S15 VanDerWaalsContact C-N 3.35Å; N13-R16 PolarHBondContact O-N 3.3Å; N13-R16 PolarHBondContact OD1-NE 3.1Å; N13-R16 PolarHBondContact OD1-NH2 3.29Å; N13-L17 WeakPolarHBondContact O-CB 3.43Å; N13-L17 VanDerWaalsContact O-CG 3.29Å; N13-L17 WeakPolarHBondContact O-CG 3.44Å; N13-L17 PolarHBondContact O-N 3.05Å; N13-M116 WeakPolarHBondContact CB-O 3.34Å; N13-M116 PolarHBondContact ND2-O 3.35Å; N13-R118 PolarHBondContact ND2-O 3.49Å; N13-R118 PolarHBondContact OD1-O 3.24Å |
| 14 | F | 87.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 172.1 | -68 | -43.7 | 0 | 0 | 0 | 111.8 | F1 F6 I10 A11 R16 L17 G18 Y19 I47 A51 | F1-F14 HydrophobicContact CB-CB 4.28Å; F1-F14 HydrophobicContact CB-CD2 3.97Å; F1-F14 HydrophobicContact CB-CG 4.19Å; F1-F14 HydrophobicContact CD1-CD1 4.13Å; F1-F14 AromaticContact CD1-CD2 3.84Å; F1-F14 HydrophobicContact CD1-CD2 3.84Å; F1-F14 AromaticContact CD1-CE1 3.98Å; F1-F14 HydrophobicContact CD1-CE1 3.98Å; F1-F14 AromaticContact CD1-CE2 3.67Å; F1-F14 HydrophobicContact CD1-CE2 3.67Å; F1-F14 HydrophobicContact CD1-CG 4.06Å; F1-F14 AromaticContact CD1-CZ 3.72Å; F1-F14 HydrophobicContact CD1-CZ 3.72Å; F1-F14 HydrophobicContact CE1-CD1 4.36Å; F1-F14 AromaticContact CE1-CE1 3.94Å; F1-F14 HydrophobicContact CE1-CE1 3.94Å; F1-F14 HydrophobicContact CE1-CE2 4.31Å; F1-F14 AromaticContact CE1-CZ 3.88Å; F1-F14 HydrophobicContact CE1-CZ 3.88Å; F1-F14 HydrophobicContact CG-CD1 4.48Å; F1-F14 HydrophobicContact CG-CD2 4.17Å; F1-F14 HydrophobicContact CG-CE2 4.45Å; F1-F14 HydrophobicContact CG-CG 4.19Å; F6-F14 HydrophobicContact CD2-CD2 4.42Å; F6-F14 AromaticContact CD2-CE2 3.49Å; F6-F14 HydrophobicContact CD2-CE2 3.49Å; F6-F14 VanDerWaalsContact CD2-CE2 3.49Å; F6-F14 HydrophobicContact CD2-CZ 4.26Å; F6-F14 AromaticContact CE2-CE2 3.62Å; F6-F14 HydrophobicContact CE2-CE2 3.62Å; F6-F14 AromaticContact CE2-CZ 3.98Å; F6-F14 HydrophobicContact CE2-CZ 3.98Å; F6-F14 AromaticContact CG-CE2 3.98Å; F6-F14 HydrophobicContact CG-CE2 3.98Å; F6-F14 HydrophobicContact CZ-CE2 4.26Å; F6-F14 HydrophobicContact CZ-CZ 4.24Å; I10-F14 HydrophobicContact CG2-CD2 4.3Å; I10-F14 HydrophobicContact CG2-CE1 4.47Å; I10-F14 HydrophobicContact CG2-CE2 3.63Å; I10-F14 HydrophobicContact CG2-CZ 3.75Å; I10-F14 PolarHBondContact O-N 2.8Å; A11-F14 PolarHBondContact O-N 3.48Å; F14-R16 VanDerWaalsContact C-N 3.35Å; F14-R16 PolarHBondContact O-N 3.05Å; F14-L17 PolarHBondContact O-N 3.46Å; F14-G18 PolarHBondContact O-N 3.37Å; F14-Y19 AromaticContact CD1-CD2 3.89Å; F14-Y19 HydrophobicContact CD1-CD2 3.89Å; F14-Y19 HydrophobicContact CD1-CG 4.24Å; F14-Y19 PolarHBondContact O-N 3.13Å; F14-I47 HydrophobicContact CE1-CG2 3.69Å; F14-I47 HydrophobicContact CZ-CG2 4.24Å; F14-A51 HydrophobicContact CE1-CB 4.17Å; F14-A51 HydrophobicContact CZ-CB 3.52Å |
| 15 | S | 84.9 | Confident | 84.6 | Confident | 77 Ų | 77 | 59.8 Ų | 59.8 | 54% | 0.538 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 177 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | A11 A12 N13 L17 G18 | A11-S15 PolarHBondContact O-N 2.93Å; A11-S15 PolarHBondContact O-OG 3.12Å; A12-S15 PolarHBondContact O-N 3.25Å; N13-S15 VanDerWaalsContact C-N 3.35Å; S15-L17 VanDerWaalsContact C-N 3.34Å; S15-L17 PolarHBondContact O-N 3.16Å; S15-G18 PolarHBondContact O-N 3.39Å |
| 16 | R | 87.4 | Confident | 84.7 | Confident | 104 Ų | 104 | 55.3 Ų | 55.3 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 178.2 | -177 | -177.6 | 56.8 | 68.6 | 3 | 113.4 | A12 N13 F14 G18 R115 | A12-R16 WeakPolarHBondContact O-CB 3.21Å; A12-R16 PolarHBondContact O-N 3.48Å; N13-R16 PolarHBondContact O-N 3.3Å; N13-R16 PolarHBondContact OD1-NE 3.1Å; N13-R16 PolarHBondContact OD1-NH2 3.29Å; F14-R16 VanDerWaalsContact C-N 3.35Å; F14-R16 PolarHBondContact O-N 3.05Å; R16-G18 VanDerWaalsContact C-N 3.3Å; R16-R115 PolarHBondContact NH2-O 3.24Å |
| 17 | L | 84.6 | Confident | 84.6 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -85.7 | -2.5 | -179.7 | -68.5 | 171.7 | 0 | 0 | 0 | 113 | N13 F14 S15 Y19 R115 M116 | N13-L17 WeakPolarHBondContact O-CB 3.43Å; N13-L17 VanDerWaalsContact O-CG 3.29Å; N13-L17 WeakPolarHBondContact O-CG 3.44Å; N13-L17 PolarHBondContact O-N 3.05Å; F14-L17 PolarHBondContact O-N 3.46Å; S15-L17 VanDerWaalsContact C-N 3.34Å; S15-L17 PolarHBondContact O-N 3.16Å; L17-Y19 HydrophobicContact CB-CD2 3.58Å; L17-Y19 HydrophobicContact CB-CE2 3.69Å; L17-Y19 HydrophobicContact CD1-CD2 4.22Å; L17-Y19 HydrophobicContact CD1-CE2 3.86Å; L17-Y19 HydrophobicContact CG-CE2 4.4Å; L17-R115 HydrophobicContact CD1-CB 4.39Å; L17-R115 HydrophobicContact CD2-CB 4.17Å; L17-M116 HydrophobicContact CD1-CB 4.39Å |
| 18 | G | 81.9 | Confident | 84.7 | Confident | 50 Ų | 50 | 62.8 Ų | 62.8 | 52% | 0.515 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 21.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | F14 S15 R16 I20 | F14-G18 PolarHBondContact O-N 3.37Å; S15-G18 PolarHBondContact O-N 3.39Å; R16-G18 VanDerWaalsContact C-N 3.3Å; G18-I20 PolarHBondContact O-N 3.01Å |
| 19 | Y | 81.3 | Confident | 85 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | trans | -79.1 | 85.3 | 174.4 | -72 | -61.7 | 0 | 0 | 0 | 110.8 | F1 F14 L17 I47 E112 | F1-Y19 WeakPolarHBondContact CD2-O 3.41Å; F1-Y19 HydrophobicContact CE2-CD1 4.44Å; F1-Y19 HydrophobicContact CE2-CG 4.48Å; F14-Y19 AromaticContact CD1-CD2 3.89Å; F14-Y19 HydrophobicContact CD1-CD2 3.89Å; F14-Y19 HydrophobicContact CD1-CG 4.24Å; F14-Y19 PolarHBondContact O-N 3.13Å; L17-Y19 HydrophobicContact CB-CD2 3.58Å; L17-Y19 HydrophobicContact CB-CE2 3.69Å; L17-Y19 HydrophobicContact CD1-CD2 4.22Å; L17-Y19 HydrophobicContact CD1-CE2 3.86Å; L17-Y19 HydrophobicContact CG-CE2 4.4Å; Y19-I47 HydrophobicContact CE1-CG1 4.15Å; Y19-I47 HydrophobicContact CE2-CD1 3.91Å; Y19-I47 HydrophobicContact CE2-CG1 4.01Å; Y19-E112 PolarHBondContact OH-OE1 3.23Å; Y19-E112 VanDerWaalsContact OH-OE1 3.04Å | ||
| 20 | I | 77 | Confident | 85.3 | Confident | 117 Ų | 117 | 53.7 Ų | 53.7 | 60% | 0.6 | 29% | 0.29 | S | S | * | . | trans | -82.8 | -62.9 | -178.6 | -54.3 | 172.8 | 0 | 0 | 0 | 110.1 | F1 G18 | F1-I20 PolarHBondContact N-O 2.86Å; G18-I20 PolarHBondContact O-N 3.01Å | ||
| 21 | H | 80 | Confident | 85.4 | Confident | 158 Ų | 158 | 56.8 Ų | 56.8 | 73% | 0.731 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -106.4 | 129.7 | -177.7 | -61.3 | -67.5 | 0 | 0 | 0 | 111.2 | ||
| 22 | P | 83 | Confident | 85.7 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 20% | 0.195 | 31% | 0.307 | C | S | . | . | trans | -65.8 | 140.2 | 167.2 | 31.6 | -32.2 | 0 | 0 | 0 | 107.8 | F1 Q26 Q27 | F1-P22 HydrophobicContact CD2-CB 4.36Å; F1-P22 VanDerWaalsContact CE2-CA 3.44Å; F1-P22 HydrophobicContact CE2-CB 3.89Å; F1-P22 HydrophobicContact CZ-CB 3.98Å; P22-Q26 HydrophobicContact CB-CB 3.73Å; P22-Q27 HydrophobicContact CB-CB 4.29Å; P22-Q27 HydrophobicContact CG-CB 4.11Å | ||
| 23 | T | 78.9 | Confident | 86.1 | Confident | 52 Ų | 52 | 54.1 Ų | 54.1 | 32% | 0.319 | 29% | 0.285 | S | S | . | . | trans | -76.1 | 160.2 | 169.6 | 47.4 | 0 | 0 | 0 | 0 | 108.5 | V25 Q26 Q27 K45 | T23-V25 PolarHBondContact O-N 3.08Å; T23-Q26 WeakPolarHBondContact O-CA 3.44Å; T23-Q26 VanDerWaalsContact O-CB 3.28Å; T23-Q26 WeakPolarHBondContact O-CB 3.01Å; T23-Q26 PolarHBondContact O-N 2.94Å; T23-Q26 PolarHBondContact OG1-OE1 3.39Å; T23-Q27 PolarHBondContact O-N 3Å; T23-K45 PolarHBondContact O-NZ 3.42Å; T23-K45 WeakPolarHBondContact OG1-CD 3.37Å; T23-K45 WeakPolarHBondContact OG1-CE 3.38Å; T23-K45 PolarHBondContact OG1-NZ 3.24Å | ||
| 24 | D | 78.6 | Confident | 86.5 | Confident | 94 Ų | 94 | 55.3 Ų | 55.3 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -41 | -63.2 | -172 | -55.1 | -7.8 | 0 | 0 | 0 | 116 | Q26 Q27 Y28 K45 I243 | D24-Q26 VanDerWaalsContact C-N 3.29Å; D24-Q26 PolarHBondContact O-N 2.96Å; D24-Q27 VanDerWaalsContact O-CB 3.29Å; D24-Q27 WeakPolarHBondContact O-CB 3.46Å; D24-Q27 PolarHBondContact O-N 3.02Å; D24-Y28 WeakPolarHBondContact O-CD2 3.44Å; D24-Y28 PolarHBondContact O-N 3.44Å; D24-K45 VanDerWaalsContact N-NZ 3.12Å; D24-I243 VanDerWaalsContact C-CD1 3.42Å; D24-I243 HydrophobicContact CB-CD1 3.71Å; D24-I243 HydrophobicContact CB-CG1 4.25Å; D24-I243 HydrophobicContact CB-CG2 3.79Å |
| 25 | V | 82.9 | Confident | 86.8 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -50.8 | -38.9 | 173.6 | -168.4 | 0 | 0 | 0 | 0 | 113.6 | T23 A29 A41 K45 I243 | T23-V25 PolarHBondContact O-N 3.08Å; V25-A29 HydrophobicContact CG1-CB 4.4Å; V25-A29 WeakPolarHBondContact O-CA 3.48Å; V25-A29 WeakPolarHBondContact O-CB 3.11Å; V25-A29 PolarHBondContact O-N 3.22Å; V25-A41 HydrophobicContact CG1-CB 4.09Å; V25-K45 VanDerWaalsContact CA-NZ 3.32Å; V25-K45 HydrophobicContact CB-CD 3.69Å; V25-K45 VanDerWaalsContact CB-CE 3.47Å; V25-K45 VanDerWaalsContact CB-NZ 3.32Å; V25-K45 HydrophobicContact CG1-CD 4.48Å; V25-K45 HydrophobicContact CG2-CD 4.45Å; V25-I243 HydrophobicContact CB-CD1 3.69Å; V25-I243 HydrophobicContact CG1-CD1 4.45Å; V25-I243 HydrophobicContact CG2-CB 4.49Å; V25-I243 HydrophobicContact CG2-CD1 3.32Å; V25-I243 HydrophobicContact CG2-CG1 4.49Å |
| 26 | Q | 87.4 | Confident | 87.3 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 7% | 0.065 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 176.6 | -92.2 | 150.7 | 9 | 0 | 0 | 110.1 | F1 P22 T23 D24 Y28 I30 K45 A48 | F1-Q26 HydrophobicContact CZ-CG 4.28Å; P22-Q26 HydrophobicContact CB-CB 3.73Å; T23-Q26 WeakPolarHBondContact O-CA 3.44Å; T23-Q26 VanDerWaalsContact O-CB 3.28Å; T23-Q26 WeakPolarHBondContact O-CB 3.01Å; T23-Q26 PolarHBondContact O-N 2.94Å; T23-Q26 PolarHBondContact OG1-OE1 3.39Å; D24-Q26 VanDerWaalsContact C-N 3.29Å; D24-Q26 PolarHBondContact O-N 2.96Å; Q26-Y28 PolarHBondContact O-N 3.46Å; Q26-I30 HydrophobicContact CB-CD1 3.93Å; Q26-I30 HydrophobicContact CG-CD1 4.06Å; Q26-I30 WeakPolarHBondContact O-CB 3.48Å; Q26-I30 WeakPolarHBondContact O-CD1 3.4Å; Q26-I30 VanDerWaalsContact O-CG1 3.24Å; Q26-I30 WeakPolarHBondContact O-CG1 3.39Å; Q26-I30 PolarHBondContact O-N 3.13Å; Q26-K45 HydrophobicContact CB-CD 3.75Å; Q26-K45 HydrophobicContact CG-CB 3.94Å; Q26-K45 HydrophobicContact CG-CD 3.36Å; Q26-K45 HydrophobicContact CG-CG 4.03Å; Q26-A48 HydrophobicContact CG-CB 3.98Å |
| 27 | Q | 87.4 | Confident | 87.7 | Confident | 98 Ų | 98 | 61.6 Ų | 61.6 | 46% | 0.458 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58 | -39.1 | -179 | -177.1 | -179.7 | -8.3 | 0 | 0 | 111.7 | P22 T23 D24 P31 | P22-Q27 HydrophobicContact CB-CB 4.29Å; P22-Q27 HydrophobicContact CG-CB 4.11Å; T23-Q27 PolarHBondContact O-N 3Å; D24-Q27 VanDerWaalsContact O-CB 3.29Å; D24-Q27 WeakPolarHBondContact O-CB 3.46Å; D24-Q27 PolarHBondContact O-N 3.02Å; Q27-P31 WeakPolarHBondContact O-CD 3.43Å; Q27-P31 VanDerWaalsContact O-CG 3.31Å; Q27-P31 WeakPolarHBondContact O-CG 3.4Å |
| 28 | Y | 89.4 | Confident | 88.2 | Confident | 128 Ų | 128 | 59.4 Ų | 59.4 | 50% | 0.502 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -92.1 | -37.5 | 179.8 | -60.1 | -74.3 | 0 | 0 | 0 | 113.6 | D24 Q26 V32 I241 I243 | D24-Y28 WeakPolarHBondContact O-CD2 3.44Å; D24-Y28 PolarHBondContact O-N 3.44Å; Q26-Y28 PolarHBondContact O-N 3.46Å; Y28-V32 WeakPolarHBondContact O-CG2 3.48Å; Y28-I241 VanDerWaalsContact C-CD1 3.5Å; Y28-I243 HydrophobicContact CD2-CD1 4.16Å |
| 29 | A | 92.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.1 | -40.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V25 V32 L33 L39 A48 I241 | V25-A29 HydrophobicContact CG1-CB 4.4Å; V25-A29 WeakPolarHBondContact O-CA 3.48Å; V25-A29 WeakPolarHBondContact O-CB 3.11Å; V25-A29 PolarHBondContact O-N 3.22Å; A29-V32 PolarHBondContact O-N 3.21Å; A29-L33 WeakPolarHBondContact O-CB 3.3Å; A29-L33 WeakPolarHBondContact O-CG 3.45Å; A29-L33 PolarHBondContact O-N 3.22Å; A29-L39 HydrophobicContact CB-CD2 3.42Å; A29-L39 VanDerWaalsContact CB-CD2 3.42Å; A29-A48 HydrophobicContact CB-CB 4.12Å; A29-I241 HydrophobicContact CB-CD1 4.34Å |
| 30 | I | 93.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.6 | -50.1 | -174.5 | -72.9 | 170.2 | 0 | 0 | 0 | 111.6 | F1 I4 F6 Q26 V32 L33 L34 P52 | F1-I30 HydrophobicContact CD1-CD1 4.41Å; F1-I30 HydrophobicContact CE1-CD1 3.59Å; F1-I30 HydrophobicContact CZ-CD1 4.28Å; I4-I30 HydrophobicContact CD1-CB 4.41Å; I4-I30 HydrophobicContact CD1-CD1 4.39Å; I4-I30 HydrophobicContact CD1-CG2 3.86Å; I4-I30 HydrophobicContact CG2-CG2 3.78Å; F6-I30 HydrophobicContact CE1-CG2 4.3Å; F6-I30 HydrophobicContact CE2-CG2 3.69Å; F6-I30 HydrophobicContact CZ-CB 4.49Å; F6-I30 HydrophobicContact CZ-CD1 4.33Å; F6-I30 HydrophobicContact CZ-CG1 4.47Å; F6-I30 HydrophobicContact CZ-CG2 3.3Å; Q26-I30 HydrophobicContact CB-CD1 3.93Å; Q26-I30 HydrophobicContact CG-CD1 4.06Å; Q26-I30 WeakPolarHBondContact O-CB 3.48Å; Q26-I30 WeakPolarHBondContact O-CD1 3.4Å; Q26-I30 VanDerWaalsContact O-CG1 3.24Å; Q26-I30 WeakPolarHBondContact O-CG1 3.39Å; Q26-I30 PolarHBondContact O-N 3.13Å; I30-V32 VanDerWaalsContact C-N 3.32Å; I30-V32 PolarHBondContact O-N 3.4Å; I30-L33 PolarHBondContact O-N 3.44Å; I30-L34 HydrophobicContact CG2-CD1 3.75Å; I30-L34 HydrophobicContact CG2-CG 4.24Å; I30-L34 WeakPolarHBondContact O-CB 3.29Å; I30-L34 WeakPolarHBondContact O-CG 3.33Å; I30-L34 PolarHBondContact O-N 2.66Å; I30-P52 HydrophobicContact CG1-CG 4.36Å; I30-P52 HydrophobicContact CG2-CG 4.37Å |
| 31 | P | 93.1 | Very high | 89.5 | Confident | 65 Ų | 65 | 48.9 Ų | 48.9 | 42% | 0.422 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 177.8 | -26.2 | 35.6 | 0 | 0 | 0 | 113.3 | Q27 L33 L34 A35 | Q27-P31 WeakPolarHBondContact O-CD 3.43Å; Q27-P31 VanDerWaalsContact O-CG 3.31Å; Q27-P31 WeakPolarHBondContact O-CG 3.4Å; P31-L33 PolarHBondContact O-N 2.95Å; P31-L34 PolarHBondContact O-N 3.16Å; P31-A35 WeakPolarHBondContact O-CB 3.42Å; P31-A35 PolarHBondContact O-N 3.47Å |
| 32 | V | 94.3 | Very high | 89.2 | Confident | 30 Ų | 30 | 41.9 Ų | 41.9 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 177.2 | 172 | 0 | 0 | 0 | 0 | 111 | Y28 A29 I30 A35 R37 L39 A239 I241 | Y28-V32 WeakPolarHBondContact O-CG2 3.48Å; A29-V32 PolarHBondContact O-N 3.21Å; I30-V32 VanDerWaalsContact C-N 3.32Å; I30-V32 PolarHBondContact O-N 3.4Å; V32-A35 WeakPolarHBondContact O-CB 3.5Å; V32-A35 PolarHBondContact O-N 2.75Å; V32-R37 HydrophobicContact CG1-CB 3.97Å; V32-R37 PolarHBondContact O-N 3.34Å; V32-L39 HydrophobicContact CG1-CB 4.17Å; V32-L39 HydrophobicContact CG1-CD1 4.16Å; V32-A239 HydrophobicContact CG1-CB 3.67Å; V32-A239 HydrophobicContact CG2-CB 4.21Å; V32-I241 HydrophobicContact CG2-CD1 4.33Å |
| 33 | L | 95.7 | Very high | 88.3 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.9 | -35.1 | -178.5 | -69.6 | 175.9 | 0 | 0 | 0 | 112.4 | A29 I30 P31 A35 R36 L39 A48 F49 P52 H56 Q205 F209 | A29-L33 WeakPolarHBondContact O-CB 3.3Å; A29-L33 WeakPolarHBondContact O-CG 3.45Å; A29-L33 PolarHBondContact O-N 3.22Å; I30-L33 PolarHBondContact O-N 3.44Å; P31-L33 PolarHBondContact O-N 2.95Å; L33-A35 VanDerWaalsContact C-N 3.26Å; L33-A35 PolarHBondContact O-N 3.41Å; L33-R36 PolarHBondContact O-N 2.66Å; L33-R36 VanDerWaalsContact O-N 3.08Å; L33-L39 HydrophobicContact CD1-CD2 3.95Å; L33-L39 HydrophobicContact CD2-CB 3.75Å; L33-L39 HydrophobicContact CD2-CD2 4.19Å; L33-L39 HydrophobicContact CG-CB 4.29Å; L33-L39 HydrophobicContact CG-CD2 3.87Å; L33-A48 WeakPolarHBondContact CD1-O 3.45Å; L33-F49 HydrophobicContact CD1-CB 4.23Å; L33-P52 HydrophobicContact CB-CB 3.6Å; L33-P52 HydrophobicContact CB-CG 3.67Å; L33-P52 HydrophobicContact CD1-CG 4.2Å; L33-H56 PolarHBondContact O-NE2 2.91Å; L33-Q205 PolarHBondContact O-NE2 3.24Å; L33-F209 HydrophobicContact CD1-CZ 4.44Å |
| 34 | L | 95.3 | Very high | 87.5 | Confident | 29 Ų | 29 | 42.9 Ų | 42.9 | 15% | 0.152 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.8 | -33.4 | 170.7 | -74.9 | 175.4 | 0 | 0 | 0 | 111.7 | I4 F6 I30 P31 R36 P52 H55 H56 | I4-L34 HydrophobicContact CG2-CD1 3.46Å; I4-L34 VanDerWaalsContact CG2-CD1 3.46Å; F6-L34 HydrophobicContact CD1-CD1 4.38Å; F6-L34 HydrophobicContact CD1-CD2 4.21Å; F6-L34 HydrophobicContact CE1-CD1 3.98Å; F6-L34 HydrophobicContact CE1-CD2 3.87Å; F6-L34 HydrophobicContact CE1-CG 4.24Å; F6-L34 HydrophobicContact CZ-CD1 4.09Å; I30-L34 HydrophobicContact CG2-CD1 3.75Å; I30-L34 HydrophobicContact CG2-CG 4.24Å; I30-L34 WeakPolarHBondContact O-CB 3.29Å; I30-L34 WeakPolarHBondContact O-CG 3.33Å; I30-L34 PolarHBondContact O-N 2.66Å; P31-L34 PolarHBondContact O-N 3.16Å; L34-R36 PolarHBondContact O-N 3.5Å; L34-R36 VanDerWaalsContact O-N 3.15Å; L34-P52 HydrophobicContact CD2-CB 4.12Å; L34-P52 HydrophobicContact CG-CB 4.28Å; L34-P52 HydrophobicContact CG-CG 4.41Å; L34-H55 HydrophobicContact CD2-CB 3.96Å; L34-H56 PolarHBondContact O-CE1 3.03Å |
| 35 | A | 94.6 | Very high | 87.2 | Confident | 65 Ų | 65 | 39.7 Ų | 39.7 | 54% | 0.537 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 8.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P31 V32 L33 R37 | P31-A35 WeakPolarHBondContact O-CB 3.42Å; P31-A35 PolarHBondContact O-N 3.47Å; V32-A35 WeakPolarHBondContact O-CB 3.5Å; V32-A35 PolarHBondContact O-N 2.75Å; L33-A35 VanDerWaalsContact C-N 3.26Å; L33-A35 PolarHBondContact O-N 3.41Å; A35-R37 PolarHBondContact O-N 2.83Å; A35-R37 VanDerWaalsContact O-N 3.13Å |
| 36 | R | 94.5 | Very high | 87.2 | Confident | 121 Ų | 121 | 40.2 Ų | 40.2 | 46% | 0.457 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 18.3 | 178.9 | -59 | -175 | 176.4 | -153.3 | 0.8 | 114.9 | L33 L34 E59 Q205 | L33-R36 PolarHBondContact O-N 2.66Å; L33-R36 VanDerWaalsContact O-N 3.08Å; L34-R36 PolarHBondContact O-N 3.5Å; L34-R36 VanDerWaalsContact O-N 3.15Å; R36-E59 IonicContact CZ-OE2 3.49Å; R36-E59 IonicContact NH2-OE2 2.85Å; R36-E59 PolarHBondContact NH2-OE2 2.78Å; R36-Q205 VanDerWaalsContact C-NE2 3.28Å |
| 37 | R | 95.3 | Very high | 87.3 | Confident | 127 Ų | 127 | 39.7 Ų | 39.7 | 48% | 0.479 | 21% | 0.213 | S | C | . | . | trans | -82.1 | 149.6 | 172.3 | -71.1 | -168.9 | -174 | -118.1 | 5.7 | 111.1 | V32 A35 Q205 D237 | V32-R37 HydrophobicContact CG1-CB 3.97Å; V32-R37 PolarHBondContact O-N 3.34Å; A35-R37 PolarHBondContact O-N 2.83Å; A35-R37 VanDerWaalsContact O-N 3.13Å; R37-Q205 PolarHBondContact O-NE2 3.48Å; R37-D237 IonicContact NH1-OD2 3.95Å; R37-D237 PolarHBondContact NH1-OD2 3.43Å | ||
| 38 | D | 95.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -70.4 | 149.2 | 171 | -74.7 | 14.3 | 0 | 0 | 0 | 109.9 | Q205 T206 M234 K235 Y238 A239 | D38-Q205 WeakPolarHBondContact OD1-CA 3.3Å; D38-T206 WeakPolarHBondContact CA-O 3.5Å; D38-T206 VanDerWaalsContact CB-O 3.29Å; D38-T206 WeakPolarHBondContact CB-O 3.47Å; D38-T206 PolarHBondContact OD1-N 2.92Å; D38-M234 HydrophobicContact CB-CB 4.28Å; D38-M234 HydrophobicContact CB-CE 3.84Å; D38-M234 VanDerWaalsContact OD2-CA 3.25Å; D38-M234 WeakPolarHBondContact OD2-CA 3.44Å; D38-K235 IonicContact OD1-NZ 3.99Å; D38-K235 PolarHBondContact OD1-NZ 3.39Å; D38-K235 PolarHBondContact OD2-N 3.12Å; D38-K235 IonicContact OD2-NZ 2.83Å; D38-Y238 WeakPolarHBondContact O-CA 3.33Å; D38-A239 PolarHBondContact O-N 2.93Å | ||
| 39 | L | 93 | Very high | 87.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 132.5 | -173.1 | 174.3 | 66.9 | 0 | 0 | 0 | 112.5 | A29 V32 L33 A41 T206 S207 M208 F209 M234 A239 I241 | A29-L39 HydrophobicContact CB-CD2 3.42Å; A29-L39 VanDerWaalsContact CB-CD2 3.42Å; V32-L39 HydrophobicContact CG1-CB 4.17Å; V32-L39 HydrophobicContact CG1-CD1 4.16Å; L33-L39 HydrophobicContact CD1-CD2 3.95Å; L33-L39 HydrophobicContact CD2-CB 3.75Å; L33-L39 HydrophobicContact CD2-CD2 4.19Å; L33-L39 HydrophobicContact CG-CB 4.29Å; L33-L39 HydrophobicContact CG-CD2 3.87Å; L39-A41 HydrophobicContact CD1-CB 4.25Å; L39-A41 HydrophobicContact CD2-CB 4.12Å; L39-A41 HydrophobicContact CG-CB 4.11Å; L39-T206 PolarHBondContact N-O 3.16Å; L39-T206 VanDerWaalsContact N-O 3.1Å; L39-S207 CarbonylContact O-C 3.54Å; L39-S207 WeakPolarHBondContact O-CA 3.43Å; L39-M208 PolarHBondContact O-N 3.45Å; L39-F209 HydrophobicContact CD2-CE1 4.44Å; L39-F209 HydrophobicContact CD2-CZ 4.12Å; L39-M234 VanDerWaalsContact O-CE 3.28Å; L39-M234 WeakPolarHBondContact O-CE 3.37Å; L39-A239 HydrophobicContact CD1-CB 4.14Å; L39-I241 HydrophobicContact CD1-CB 4.32Å; L39-I241 HydrophobicContact CD1-CD1 3.4Å; L39-I241 HydrophobicContact CD1-CG1 3.67Å; L39-I241 HydrophobicContact CD2-CD1 4.45Å |
| 40 | M | 88.9 | Confident | 87.8 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.015 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 120.4 | 165.2 | -173.3 | 174.3 | -170.6 | 0 | 0 | 108.4 | M208 F213 H226 A230 M234 Y238 A239 Y240 I241 | M40-M208 WeakPolarHBondContact CA-O 3.47Å; M40-F213 HydrophobicContact CE-CD1 3.59Å; M40-F213 HydrophobicContact CE-CE1 3.09Å; M40-F213 HydrophobicContact CE-CZ 3.84Å; M40-F213 HydrophobicContact CG-CE1 3.99Å; M40-F213 HydrophobicContact CG-CZ 3.68Å; M40-F213 HydrophobicContact SD-CE1 4.26Å; M40-H226 HydrophobicContact CE-CB 4.33Å; M40-A230 HydrophobicContact SD-CB 4.11Å; M40-M234 HydrophobicContact CB-CE 4.29Å; M40-Y238 HydrophobicContact CB-CD2 3.86Å; M40-Y238 HydrophobicContact CB-CE2 3.79Å; M40-Y238 HydrophobicContact SD-CE2 3.85Å; M40-A239 PolarHBondContact N-O 2.96Å; M40-Y240 HydrophobicContact CB-CD2 4.02Å; M40-Y240 HydrophobicContact CG-CD2 3.87Å; M40-Y240 HydrophobicContact CG-CE2 4.12Å; M40-Y240 CarbonylContact O-C 3.54Å; M40-Y240 WeakPolarHBondContact O-CA 3.46Å; M40-Y240 HydrophobicContact SD-CD2 3.91Å; M40-Y240 HydrophobicContact SD-CE2 4.13Å; M40-I241 PolarHBondContact O-N 2.97Å |
| 41 | A | 85.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 154.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V25 L39 M208 F209 S210 I241 | V25-A41 HydrophobicContact CG1-CB 4.09Å; L39-A41 HydrophobicContact CD1-CB 4.25Å; L39-A41 HydrophobicContact CD2-CB 4.12Å; L39-A41 HydrophobicContact CG-CB 4.11Å; A41-M208 PolarHBondContact N-O 2.9Å; A41-F209 HydrophobicContact CB-CD1 3.89Å; A41-F209 HydrophobicContact CB-CE1 3.81Å; A41-F209 WeakPolarHBondContact O-CA 3.3Å; A41-S210 PolarHBondContact O-N 3.26Å; A41-S210 VanDerWaalsContact O-N 3.12Å; A41-I241 WeakPolarHBondContact CA-O 3.37Å; A41-I241 HydrophobicContact CB-CB 4.2Å |
| 42 | C | 73.8 | Confident | 87.9 | Confident | 12 Ų | 12 | 26 Ų | 26 | 8% | 0.081 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 145.9 | 169.7 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | S210 I241 T246 | C42-S210 CarbonylContact C-O 3.51Å; C42-S210 WeakPolarHBondContact CA-O 3.38Å; C42-I241 PolarHBondContact N-O 3.18Å; C42-I241 VanDerWaalsContact N-O 3.13Å; C42-T246 HydrophobicContact CB-CG2 4.2Å |
| 43 | S | 64.4 | Low | 88 | Confident | 43 Ų | 43 | 24.8 Ų | 24.8 | 30% | 0.301 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -61.6 | 156.1 | -175 | 78.6 | 0 | 0 | 0 | 0 | 112.8 | S210 A211 | S43-S210 PolarHBondContact N-O 2.87Å; S43-A211 VanDerWaalsContact OG-CB 3.3Å; S43-A211 WeakPolarHBondContact OG-CB 3.14Å |
| 44 | G | 60.7 | Low | 87.9 | Confident | 59 Ų | 59 | 24.6 Ų | 24.6 | 61% | 0.608 | 14% | 0.139 | S | C | * | . | trans | 139.6 | 11.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 45 | K | 72.9 | Confident | 87.9 | Confident | 27 Ų | 27 | 24.9 Ų | 24.9 | 12% | 0.117 | 14% | 0.14 | C | C | . | . | trans | -151.3 | 111.1 | -177.1 | -59.3 | 174 | -161 | -177.1 | 0 | 113.5 | T23 D24 V25 Q26 A48 F49 | T23-K45 PolarHBondContact O-NZ 3.42Å; T23-K45 WeakPolarHBondContact OG1-CD 3.37Å; T23-K45 WeakPolarHBondContact OG1-CE 3.38Å; T23-K45 PolarHBondContact OG1-NZ 3.24Å; D24-K45 VanDerWaalsContact N-NZ 3.12Å; V25-K45 VanDerWaalsContact CA-NZ 3.32Å; V25-K45 HydrophobicContact CB-CD 3.69Å; V25-K45 VanDerWaalsContact CB-CE 3.47Å; V25-K45 VanDerWaalsContact CB-NZ 3.32Å; V25-K45 HydrophobicContact CG1-CD 4.48Å; V25-K45 HydrophobicContact CG2-CD 4.45Å; Q26-K45 HydrophobicContact CB-CD 3.75Å; Q26-K45 HydrophobicContact CG-CB 3.94Å; Q26-K45 HydrophobicContact CG-CD 3.36Å; Q26-K45 HydrophobicContact CG-CG 4.03Å; K45-A48 HydrophobicContact CB-CB 3.63Å; K45-A48 WeakPolarHBondContact O-CB 3.46Å; K45-A48 PolarHBondContact O-N 2.92Å; K45-F49 WeakPolarHBondContact O-CD1 3.3Å | ||
| 46 | T | 83.1 | Confident | 87.9 | Confident | 20 Ų | 20 | 22 Ų | 22 | 12% | 0.123 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.4 | -41 | 172.7 | -45.9 | 0 | 0 | 0 | 0 | 112.1 | A48 F49 L50 I109 E112 | T46-A48 PolarHBondContact O-N 2.94Å; T46-F49 HydrophobicContact CG2-CE2 4.19Å; T46-F49 HydrophobicContact CG2-CZ 3.88Å; T46-F49 PolarHBondContact O-N 2.97Å; T46-L50 HydrophobicContact CG2-CD1 3.33Å; T46-L50 HydrophobicContact CG2-CG 3.93Å; T46-L50 WeakPolarHBondContact O-CB 3.36Å; T46-L50 WeakPolarHBondContact O-CG 3.41Å; T46-L50 PolarHBondContact O-N 2.92Å; T46-I109 HydrophobicContact CG2-CB 4.13Å; T46-I109 HydrophobicContact CG2-CG1 4.01Å; T46-I109 HydrophobicContact CG2-CG2 3.97Å; T46-E112 HydrophobicContact CG2-CB 3.92Å; T46-E112 HydrophobicContact CG2-CG 3.93Å |
| 47 | I | 88.8 | Confident | 87.8 | Confident | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.015 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.4 | -27.1 | 177.8 | -62.8 | -62.1 | 0 | 0 | 0 | 112.5 | F1 F14 Y19 F49 A51 E112 M116 | F1-I47 HydrophobicContact CE1-CG2 3.82Å; F1-I47 HydrophobicContact CZ-CG2 3.91Å; F14-I47 HydrophobicContact CE1-CG2 3.69Å; F14-I47 HydrophobicContact CZ-CG2 4.24Å; Y19-I47 HydrophobicContact CE1-CG1 4.15Å; Y19-I47 HydrophobicContact CE2-CD1 3.91Å; Y19-I47 HydrophobicContact CE2-CG1 4.01Å; I47-F49 VanDerWaalsContact C-N 3.28Å; I47-F49 PolarHBondContact O-N 3.22Å; I47-A51 HydrophobicContact CG2-CB 4.25Å; I47-A51 WeakPolarHBondContact O-CB 3.39Å; I47-A51 PolarHBondContact O-N 3.39Å; I47-E112 HydrophobicContact CD1-CG 3.89Å; I47-E112 HydrophobicContact CG1-CG 4.48Å; I47-M116 HydrophobicContact CD1-CB 4.29Å; I47-M116 HydrophobicContact CD1-CG 4.06Å; I47-M116 HydrophobicContact CD1-SD 3.64Å |
| 48 | A | 91.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.9 | -39.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q26 A29 L33 K45 T46 P52 F209 | Q26-A48 HydrophobicContact CG-CB 3.98Å; A29-A48 HydrophobicContact CB-CB 4.12Å; L33-A48 WeakPolarHBondContact CD1-O 3.45Å; K45-A48 HydrophobicContact CB-CB 3.63Å; K45-A48 WeakPolarHBondContact O-CB 3.46Å; K45-A48 PolarHBondContact O-N 2.92Å; T46-A48 PolarHBondContact O-N 2.94Å; A48-P52 WeakPolarHBondContact O-CD 3.14Å; A48-P52 VanDerWaalsContact O-CG 3.3Å; A48-P52 WeakPolarHBondContact O-CG 3.27Å; A48-F209 HydrophobicContact CB-CE1 4.26Å; A48-F209 HydrophobicContact CB-CZ 4.4Å |
| 49 | F | 94 | Very high | 87.4 | Confident | 1 Ų | 1 | 14.9 Ų | 14.9 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -98.9 | -34.1 | 177.5 | 58.5 | -102.8 | 0 | 0 | 0 | 113.5 | L33 K45 T46 I47 A51 P52 I53 V98 I109 V173 D175 F209 | L33-F49 HydrophobicContact CD1-CB 4.23Å; K45-F49 WeakPolarHBondContact O-CD1 3.3Å; T46-F49 HydrophobicContact CG2-CE2 4.19Å; T46-F49 HydrophobicContact CG2-CZ 3.88Å; T46-F49 PolarHBondContact O-N 2.97Å; I47-F49 VanDerWaalsContact C-N 3.28Å; I47-F49 PolarHBondContact O-N 3.22Å; F49-A51 PolarHBondContact O-N 3.38Å; F49-P52 WeakPolarHBondContact O-CD 3.25Å; F49-I53 HydrophobicContact CD2-CD1 4.5Å; F49-I53 WeakPolarHBondContact O-CB 3.46Å; F49-I53 VanDerWaalsContact O-CD1 3.32Å; F49-I53 WeakPolarHBondContact O-CD1 3.48Å; F49-I53 WeakPolarHBondContact O-CG1 3.29Å; F49-I53 PolarHBondContact O-N 2.96Å; F49-V98 HydrophobicContact CD2-CG2 4.29Å; F49-V98 HydrophobicContact CE2-CG1 3.88Å; F49-V98 HydrophobicContact CE2-CG2 4.01Å; F49-V98 HydrophobicContact CZ-CG1 4.17Å; F49-I109 HydrophobicContact CE2-CG2 4.1Å; F49-I109 HydrophobicContact CZ-CD1 4.43Å; F49-I109 HydrophobicContact CZ-CG1 4.35Å; F49-I109 HydrophobicContact CZ-CG2 4.28Å; F49-V173 HydrophobicContact CB-CG1 4.21Å; F49-V173 HydrophobicContact CB-CG2 4.05Å; F49-V173 HydrophobicContact CD1-CG1 3.94Å; F49-V173 HydrophobicContact CD2-CB 4.42Å; F49-V173 HydrophobicContact CD2-CG1 3.94Å; F49-V173 HydrophobicContact CD2-CG2 3.97Å; F49-V173 HydrophobicContact CE1-CG1 4.22Å; F49-V173 HydrophobicContact CE2-CG1 4.25Å; F49-V173 HydrophobicContact CG-CG1 3.78Å; F49-V173 HydrophobicContact CG-CG2 4.17Å; F49-V173 HydrophobicContact CZ-CG1 4.37Å; F49-D175 HydrophobicContact CE1-CB 4.48Å; F49-F209 HydrophobicContact CB-CE2 3.73Å; F49-F209 HydrophobicContact CB-CZ 3.97Å; F49-F209 AromaticContact CD1-CD2 3.85Å; F49-F209 HydrophobicContact CD1-CD2 3.85Å; F49-F209 AromaticContact CD1-CE2 3.53Å; F49-F209 HydrophobicContact CD1-CE2 3.53Å; F49-F209 AromaticContact CD1-CZ 3.9Å; F49-F209 HydrophobicContact CD1-CZ 3.9Å; F49-F209 HydrophobicContact CE1-CD2 4.43Å; F49-F209 HydrophobicContact CG-CE2 4.02Å; F49-F209 HydrophobicContact CG-CZ 4.44Å |
| 50 | L | 94.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64 | -44.7 | -178.6 | -76.1 | -179.1 | 0 | 0 | 0 | 112 | T46 I53 F54 I109 E112 M116 | T46-L50 HydrophobicContact CG2-CD1 3.33Å; T46-L50 HydrophobicContact CG2-CG 3.93Å; T46-L50 WeakPolarHBondContact O-CB 3.36Å; T46-L50 WeakPolarHBondContact O-CG 3.41Å; T46-L50 PolarHBondContact O-N 2.92Å; L50-I53 PolarHBondContact O-N 3.38Å; L50-F54 HydrophobicContact CD2-CE1 4.15Å; L50-F54 WeakPolarHBondContact O-CB 3.48Å; L50-F54 WeakPolarHBondContact O-CD1 3.44Å; L50-F54 PolarHBondContact O-N 3.21Å; L50-I109 HydrophobicContact CD1-CG2 4.48Å; L50-I109 HydrophobicContact CD2-CG2 4.4Å; L50-E112 HydrophobicContact CD1-CB 4.23Å; L50-E112 HydrophobicContact CD1-CG 4.18Å; L50-M116 HydrophobicContact CB-CE 3.62Å; L50-M116 HydrophobicContact CB-SD 3.93Å |
| 51 | A | 93.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.6 | -45.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F6 F14 I47 F49 I53 F54 H55 M116 | F6-A51 HydrophobicContact CE1-CB 3.67Å; F6-A51 HydrophobicContact CZ-CB 3.63Å; F14-A51 HydrophobicContact CE1-CB 4.17Å; F14-A51 HydrophobicContact CZ-CB 3.52Å; I47-A51 HydrophobicContact CG2-CB 4.25Å; I47-A51 WeakPolarHBondContact O-CB 3.39Å; I47-A51 PolarHBondContact O-N 3.39Å; F49-A51 PolarHBondContact O-N 3.38Å; A51-I53 VanDerWaalsContact C-N 3.34Å; A51-I53 PolarHBondContact O-N 3.41Å; A51-F54 PolarHBondContact O-N 3.29Å; A51-H55 WeakPolarHBondContact O-CB 3.21Å; A51-H55 PolarHBondContact O-N 2.99Å; A51-M116 HydrophobicContact CB-SD 3.92Å |
| 52 | P | 95.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.8 | -41.2 | 172.1 | -25.6 | 35.3 | 0 | 0 | 0 | 113 | I30 L33 L34 A48 F49 F54 H55 H56 | I30-P52 HydrophobicContact CG1-CG 4.36Å; I30-P52 HydrophobicContact CG2-CG 4.37Å; L33-P52 HydrophobicContact CB-CB 3.6Å; L33-P52 HydrophobicContact CB-CG 3.67Å; L33-P52 HydrophobicContact CD1-CG 4.2Å; L34-P52 HydrophobicContact CD2-CB 4.12Å; L34-P52 HydrophobicContact CG-CB 4.28Å; L34-P52 HydrophobicContact CG-CG 4.41Å; A48-P52 WeakPolarHBondContact O-CD 3.14Å; A48-P52 VanDerWaalsContact O-CG 3.3Å; A48-P52 WeakPolarHBondContact O-CG 3.27Å; F49-P52 WeakPolarHBondContact O-CD 3.25Å; P52-F54 PolarHBondContact O-N 2.91Å; P52-H55 WeakPolarHBondContact O-CB 3.26Å; P52-H55 PolarHBondContact O-N 3.08Å; P52-H56 PolarHBondContact O-CD2 3.37Å; P52-H56 PolarHBondContact O-N 3.46Å |
| 53 | I | 95.6 | Very high | 87.3 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.1 | -48.9 | 176.5 | -71.8 | 169.5 | 0 | 0 | 0 | 110.6 | F49 L50 A51 H55 H56 V57 A96 V147 Y171 V173 | F49-I53 HydrophobicContact CD2-CD1 4.5Å; F49-I53 WeakPolarHBondContact O-CB 3.46Å; F49-I53 VanDerWaalsContact O-CD1 3.32Å; F49-I53 WeakPolarHBondContact O-CD1 3.48Å; F49-I53 WeakPolarHBondContact O-CG1 3.29Å; F49-I53 PolarHBondContact O-N 2.96Å; L50-I53 PolarHBondContact O-N 3.38Å; A51-I53 VanDerWaalsContact C-N 3.34Å; A51-I53 PolarHBondContact O-N 3.41Å; I53-H55 VanDerWaalsContact C-N 3.29Å; I53-H55 PolarHBondContact O-N 3.05Å; I53-H56 PolarHBondContact O-N 2.73Å; I53-V57 HydrophobicContact CG2-CG2 4.25Å; I53-V57 WeakPolarHBondContact O-CB 3.29Å; I53-V57 VanDerWaalsContact O-CG2 3.29Å; I53-V57 WeakPolarHBondContact O-CG2 3.36Å; I53-V57 PolarHBondContact O-N 2.69Å; I53-A96 HydrophobicContact CG2-CB 3.46Å; I53-A96 VanDerWaalsContact CG2-CB 3.46Å; I53-V147 HydrophobicContact CG2-CG2 4.47Å; I53-Y171 HydrophobicContact CG1-CG 4.33Å; I53-V173 HydrophobicContact CD1-CG2 3.46Å; I53-V173 VanDerWaalsContact CD1-CG2 3.46Å |
| 54 | F | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | -179 | -84.8 | 46.6 | 0 | 0 | 0 | 111.5 | I10 L50 A51 P52 L58 S113 M116 G117 I122 V147 | I10-F54 HydrophobicContact CD1-CB 3.74Å; I10-F54 HydrophobicContact CG1-CB 4.5Å; L50-F54 HydrophobicContact CD2-CE1 4.15Å; L50-F54 WeakPolarHBondContact O-CB 3.48Å; L50-F54 WeakPolarHBondContact O-CD1 3.44Å; L50-F54 PolarHBondContact O-N 3.21Å; A51-F54 PolarHBondContact O-N 3.29Å; P52-F54 PolarHBondContact O-N 2.91Å; F54-L58 WeakPolarHBondContact O-CB 3.13Å; F54-L58 VanDerWaalsContact O-CG 3.3Å; F54-L58 WeakPolarHBondContact O-CG 3.49Å; F54-L58 PolarHBondContact O-N 3.35Å; F54-S113 WeakPolarHBondContact CZ-OG 3.32Å; F54-M116 HydrophobicContact CB-CE 3.89Å; F54-M116 HydrophobicContact CD1-CE 3.57Å; F54-M116 HydrophobicContact CD2-CE 3.36Å; F54-M116 HydrophobicContact CE1-CE 3.91Å; F54-M116 HydrophobicContact CE2-CE 3.74Å; F54-M116 HydrophobicContact CG-CE 3.29Å; F54-M116 HydrophobicContact CZ-CE 4Å; F54-G117 VanDerWaalsContact CE2-CA 3.44Å; F54-I122 HydrophobicContact CB-CD1 3.74Å; F54-I122 HydrophobicContact CD1-CD1 4.27Å; F54-I122 HydrophobicContact CD2-CB 4.29Å; F54-I122 HydrophobicContact CD2-CD1 3.42Å; F54-I122 VanDerWaalsContact CD2-CD1 3.42Å; F54-I122 HydrophobicContact CD2-CG1 4.42Å; F54-I122 HydrophobicContact CD2-CG2 4.27Å; F54-I122 HydrophobicContact CE1-CG2 4.15Å; F54-I122 HydrophobicContact CE2-CB 3.96Å; F54-I122 HydrophobicContact CE2-CD1 3.98Å; F54-I122 HydrophobicContact CE2-CG2 3.73Å; F54-I122 HydrophobicContact CG-CD1 3.56Å; F54-I122 HydrophobicContact CZ-CB 4.39Å; F54-I122 HydrophobicContact CZ-CG2 3.65Å; F54-V147 HydrophobicContact CD1-CG2 4.49Å; F54-V147 HydrophobicContact CE1-CG2 3.86Å; F54-V147 HydrophobicContact CZ-CG2 4.41Å |
| 55 | H | 94.8 | Very high | 88.3 | Confident | 36 Ų | 36 | 30.2 Ų | 30.2 | 17% | 0.167 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59 | -50.2 | 174.8 | 175.3 | 90 | 0 | 0 | 0 | 111.2 | P5 F6 N7 I10 L34 A51 P52 I53 L58 E59 | P5-H55 PolarHBondContact O-CE1 2.86Å; F6-H55 HydrophobicContact CD1-CB 4.01Å; F6-H55 HydrophobicContact CE1-CB 4.38Å; N7-H55 PolarHBondContact N-ND1 3.1Å; I10-H55 HydrophobicContact CD1-CB 3.91Å; I10-H55 VanDerWaalsContact CD1-N 3.28Å; L34-H55 HydrophobicContact CD2-CB 3.96Å; A51-H55 WeakPolarHBondContact O-CB 3.21Å; A51-H55 PolarHBondContact O-N 2.99Å; P52-H55 WeakPolarHBondContact O-CB 3.26Å; P52-H55 PolarHBondContact O-N 3.08Å; I53-H55 VanDerWaalsContact C-N 3.29Å; I53-H55 PolarHBondContact O-N 3.05Å; H55-L58 PolarHBondContact O-N 3.2Å; H55-E59 WeakPolarHBondContact O-CB 3.33Å; H55-E59 PolarHBondContact O-N 3.44Å |
| 56 | H | 94.8 | Very high | 87.9 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.8 | -36.2 | -178.4 | -66.4 | -51.7 | 0 | 0 | 0 | 113.3 | L33 L34 P52 I53 E59 A60 Y171 | L33-H56 PolarHBondContact O-NE2 2.91Å; L34-H56 PolarHBondContact O-CE1 3.03Å; P52-H56 PolarHBondContact O-CD2 3.37Å; P52-H56 PolarHBondContact O-N 3.46Å; I53-H56 PolarHBondContact O-N 2.73Å; H56-E59 IonicContact ND1-OE2 3.55Å; H56-E59 PolarHBondContact O-N 2.82Å; H56-A60 WeakPolarHBondContact O-CB 3.38Å; H56-A60 PolarHBondContact O-N 2.99Å; H56-Y171 HydrophobicContact CB-CE1 3.79Å; H56-Y171 HydrophobicContact CB-CE2 4.22Å; H56-Y171 VanDerWaalsContact CB-CZ 3.49Å; H56-Y171 VanDerWaalsContact CB-OH 3.27Å; H56-Y171 WeakPolarHBondContact CB-OH 3.45Å; H56-Y171 AromaticContact CD2-CE1 3.85Å |
| 57 | V | 92.3 | Very high | 86.7 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 174.5 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | I53 A60 A61 I122 D146 Y171 | I53-V57 HydrophobicContact CG2-CG2 4.25Å; I53-V57 WeakPolarHBondContact O-CB 3.29Å; I53-V57 VanDerWaalsContact O-CG2 3.29Å; I53-V57 WeakPolarHBondContact O-CG2 3.36Å; I53-V57 PolarHBondContact O-N 2.69Å; V57-A60 PolarHBondContact O-N 3.21Å; V57-A61 PolarHBondContact O-N 2.87Å; V57-I122 HydrophobicContact CB-CD1 4.18Å; V57-I122 HydrophobicContact CG1-CD1 4.02Å; V57-I122 HydrophobicContact CG1-CG1 4Å; V57-D146 HydrophobicContact CG1-CB 4.19Å; V57-Y171 HydrophobicContact CG2-CD2 4.37Å; V57-Y171 HydrophobicContact CG2-CE2 4.24Å |
| 58 | L | 91.4 | Very high | 84.8 | Confident | 28 Ų | 28 | 44 Ų | 44 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -42.3 | 174.7 | -76.9 | 176.6 | 0 | 0 | 0 | 112.3 | N7 I10 F54 H55 A60 A61 A62 C120 I122 | N7-L58 HydrophobicContact CB-CD1 4.05Å; I10-L58 HydrophobicContact CD1-CD1 3.91Å; I10-L58 HydrophobicContact CG1-CD1 3.98Å; F54-L58 WeakPolarHBondContact O-CB 3.13Å; F54-L58 VanDerWaalsContact O-CG 3.3Å; F54-L58 WeakPolarHBondContact O-CG 3.49Å; F54-L58 PolarHBondContact O-N 3.35Å; H55-L58 PolarHBondContact O-N 3.2Å; L58-A60 VanDerWaalsContact C-N 3.34Å; L58-A61 PolarHBondContact O-N 3.18Å; L58-A62 WeakPolarHBondContact O-CB 3.46Å; L58-A62 PolarHBondContact O-N 3.41Å; L58-C120 HydrophobicContact CD1-CB 4.24Å; L58-C120 HydrophobicContact CD2-CB 4.41Å; L58-C120 WeakPolarHBondContact CD2-O 3.37Å; L58-I122 HydrophobicContact CD2-CD1 4.35Å; L58-I122 HydrophobicContact CD2-CG1 4.41Å; L58-I122 HydrophobicContact CG-CD1 3.96Å |
| 59 | E | 90.6 | Very high | 82.7 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 178.4 | -164.8 | -159.4 | 174.8 | 0 | 0 | 111.4 | R36 H55 H56 A62 K63 | R36-E59 IonicContact CZ-OE2 3.49Å; R36-E59 IonicContact NH2-OE2 2.85Å; R36-E59 PolarHBondContact NH2-OE2 2.78Å; H55-E59 WeakPolarHBondContact O-CB 3.33Å; H55-E59 PolarHBondContact O-N 3.44Å; H56-E59 IonicContact ND1-OE2 3.55Å; H56-E59 PolarHBondContact O-N 2.82Å; E59-A62 PolarHBondContact O-N 3.18Å; E59-K63 WeakPolarHBondContact O-CG 3.48Å; E59-K63 PolarHBondContact O-N 3.22Å; E59-K63 VanDerWaalsContact O-N 3.13Å; E59-K63 VanDerWaalsContact OE1-CE 3.3Å; E59-K63 WeakPolarHBondContact OE1-CE 3.26Å; E59-K63 IonicContact OE1-NZ 3.5Å; E59-K63 PolarHBondContact OE1-NZ 3.46Å; E59-K63 IonicContact OE2-NZ 3.2Å |
| 60 | A | 88.3 | Confident | 80.6 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64 | -46 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H56 V57 L58 A62 K63 E64 | H56-A60 WeakPolarHBondContact O-CB 3.38Å; H56-A60 PolarHBondContact O-N 2.99Å; V57-A60 PolarHBondContact O-N 3.21Å; L58-A60 VanDerWaalsContact C-N 3.34Å; A60-A62 VanDerWaalsContact C-N 3.32Å; A60-A62 PolarHBondContact O-N 3.34Å; A60-K63 PolarHBondContact O-N 2.93Å; A60-E64 PolarHBondContact O-N 3.42Å |
| 61 | A | 84.6 | Confident | 78.7 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | V57 L58 E64 S65 | V57-A61 PolarHBondContact O-N 2.87Å; L58-A61 PolarHBondContact O-N 3.18Å; A61-E64 PolarHBondContact O-N 2.98Å; A61-S65 PolarHBondContact O-N 2.82Å |
| 62 | A | 84.1 | Confident | 76.6 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L58 E59 A60 S65 T66 | L58-A62 WeakPolarHBondContact O-CB 3.46Å; L58-A62 PolarHBondContact O-N 3.41Å; E59-A62 PolarHBondContact O-N 3.18Å; A60-A62 VanDerWaalsContact C-N 3.32Å; A60-A62 PolarHBondContact O-N 3.34Å; A62-S65 PolarHBondContact O-N 3.12Å; A62-T66 PolarHBondContact O-N 3.13Å; A62-T66 VanDerWaalsContact O-N 3.12Å; A62-T66 PolarHBondContact O-OG1 3.34Å |
| 63 | K | 82.6 | Confident | 74.8 | Confident | 111 Ų | 111 | 73 Ų | 73 | 48% | 0.483 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 177.7 | -72.6 | 174.8 | -175.3 | 173.4 | 0 | 112.2 | E59 A60 T66 A67 | E59-K63 WeakPolarHBondContact O-CG 3.48Å; E59-K63 PolarHBondContact O-N 3.22Å; E59-K63 VanDerWaalsContact O-N 3.13Å; E59-K63 VanDerWaalsContact OE1-CE 3.3Å; E59-K63 WeakPolarHBondContact OE1-CE 3.26Å; E59-K63 IonicContact OE1-NZ 3.5Å; E59-K63 PolarHBondContact OE1-NZ 3.46Å; E59-K63 IonicContact OE2-NZ 3.2Å; A60-K63 PolarHBondContact O-N 2.93Å; K63-T66 WeakPolarHBondContact CA-OG1 3.5Å; K63-T66 PolarHBondContact O-N 3.1Å; K63-T66 PolarHBondContact O-OG1 3.45Å; K63-A67 WeakPolarHBondContact O-CB 3.4Å; K63-A67 PolarHBondContact O-N 2.92Å |
| 64 | E | 78.1 | Confident | 72.9 | Confident | 105 Ų | 105 | 81.3 Ų | 81.3 | 49% | 0.491 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 175.6 | -72.9 | 177.6 | -163.5 | 0 | 0 | 112.3 | A60 A61 T66 A67 K68 | A60-E64 PolarHBondContact O-N 3.42Å; A61-E64 PolarHBondContact O-N 2.98Å; E64-T66 VanDerWaalsContact C-N 3.33Å; E64-T66 PolarHBondContact O-N 3.37Å; E64-A67 PolarHBondContact O-N 2.89Å; E64-K68 WeakPolarHBondContact O-CG 3.36Å; E64-K68 PolarHBondContact O-N 3.05Å; E64-K68 VanDerWaalsContact O-N 3.1Å |
| 65 | S | 68.7 | Low | 71.6 | Confident | 91 Ų | 91 | 85 Ų | 85 | 64% | 0.636 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.5 | -34.4 | 176.9 | -166 | 0 | 0 | 0 | 0 | 112.7 | A61 A62 | A61-S65 PolarHBondContact O-N 2.82Å; A62-S65 PolarHBondContact O-N 3.12Å |
| 66 | T | 64.1 | Low | 69.6 | Low | 123 Ų | 123 | 87.5 Ų | 87.5 | 76% | 0.755 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -74.8 | -28.7 | 174.8 | 47.6 | 0 | 0 | 0 | 0 | 113 | A62 K63 E64 | A62-T66 PolarHBondContact O-N 3.13Å; A62-T66 VanDerWaalsContact O-N 3.12Å; A62-T66 PolarHBondContact O-OG1 3.34Å; K63-T66 WeakPolarHBondContact CA-OG1 3.5Å; K63-T66 PolarHBondContact O-N 3.1Å; K63-T66 PolarHBondContact O-OG1 3.45Å; E64-T66 VanDerWaalsContact C-N 3.33Å; E64-T66 PolarHBondContact O-N 3.37Å |
| 67 | A | 58.3 | Low | 67.5 | Low | 75 Ų | 75 | 90.4 Ų | 90.4 | 62% | 0.62 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -80.2 | -23.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K63 E64 V69 | K63-A67 WeakPolarHBondContact O-CB 3.4Å; K63-A67 PolarHBondContact O-N 2.92Å; E64-A67 PolarHBondContact O-N 2.89Å; A67-V69 PolarHBondContact O-N 3.12Å |
| 68 | K | 48.5 | Very low | 65.9 | Low | 143 Ų | 143 | 92.4 Ų | 92.4 | 62% | 0.622 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -71 | 95 | 174 | -75.4 | 177.3 | -177.5 | 176.9 | 0 | 109.4 | E64 | E64-K68 WeakPolarHBondContact O-CG 3.36Å; E64-K68 PolarHBondContact O-N 3.05Å; E64-K68 VanDerWaalsContact O-N 3.1Å |
| 69 | V | 47.8 | Very low | 64.4 | Low | 123 Ų | 123 | 94.9 Ų | 94.9 | 75% | 0.745 | 52% | 0.515 | S | S | * | . | trans | -33.6 | 141 | 159.8 | 175.9 | 0 | 0 | 0 | 0 | 109.8 | A67 I71 | A67-V69 PolarHBondContact O-N 3.12Å; V69-I71 VanDerWaalsContact C-N 3.33Å; V69-I71 WeakPolarHBondContact O-CG1 3.46Å; V69-I71 PolarHBondContact O-N 3.17Å | ||
| 70 | Q | 49.1 | Very low | 62.3 | Low | 186 Ų | 186 | 98.3 Ų | 98.3 | 87% | 0.869 | 53% | 0.533 | S | S | * | . | trans | -49.1 | 91.6 | 178.7 | -78.4 | 172.6 | -4.2 | 0 | 0 | 111.6 | T72 | Q70-T72 PolarHBondContact O-N 3.15Š| ||
| 71 | I | 54.8 | Low | 60.4 | Low | 83 Ų | 83 | 106.9 Ų | 106.9 | 43% | 0.426 | 56% | 0.561 | S | S | . | * | trans | -71.1 | 117.4 | 171.6 | -66.4 | -177.9 | 0 | 0 | 0 | 105.6 | V69 D75 L76 | V69-I71 VanDerWaalsContact C-N 3.33Å; V69-I71 WeakPolarHBondContact O-CG1 3.46Å; V69-I71 PolarHBondContact O-N 3.17Å; I71-D75 HydrophobicContact CB-CB 4.47Å; I71-D75 HydrophobicContact CG2-CB 3.44Å; I71-D75 VanDerWaalsContact CG2-CB 3.44Å; I71-L76 HydrophobicContact CG2-CD1 4.46Å; I71-L76 HydrophobicContact CG2-CG 4.35Å | ||
| 72 | T | 50.9 | Low | 58.9 | Low | 73 Ų | 73 | 112.5 Ų | 112.5 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | trans | -71.7 | 160.9 | 178 | 67.7 | 0 | 0 | 0 | 0 | 110.1 | Q70 Y74 D75 L76 | Q70-T72 PolarHBondContact O-N 3.15Å; T72-Y74 PolarHBondContact O-N 3.3Å; T72-Y74 VanDerWaalsContact O-N 3.1Å; T72-D75 WeakPolarHBondContact CB-OD2 3.41Å; T72-D75 PolarHBondContact N-OD2 3.47Å; T72-D75 WeakPolarHBondContact O-CB 3.47Å; T72-D75 PolarHBondContact O-N 3.4Å; T72-D75 VanDerWaalsContact OG1-CG 3.27Å; T72-D75 PolarHBondContact OG1-N 3.46Å; T72-D75 PolarHBondContact OG1-OD2 3.34Å; T72-L76 PolarHBondContact O-N 3.05Å; T72-L76 VanDerWaalsContact O-N 3.13Å | ||
| 73 | F | 55.9 | Low | 57.2 | Low | 144 Ų | 144 | 114.7 Ų | 114.7 | 63% | 0.632 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -54.2 | -31.1 | 176.3 | -179.6 | -105.6 | 0 | 0 | 0 | 112.9 | L76 Q77 | F73-L76 WeakPolarHBondContact O-CB 3.49Å; F73-L76 PolarHBondContact O-N 3.23Å; F73-Q77 HydrophobicContact CE1-CG 4.38Å; F73-Q77 VanDerWaalsContact CZ-NE2 3.27Å; F73-Q77 PolarHBondContact O-N 3.07Å; F73-Q77 VanDerWaalsContact O-N 3.08Å |
| 74 | Y | 56 | Low | 55.1 | Low | 180 Ų | 180 | 112.9 Ų | 112.9 | 71% | 0.706 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.8 | -39 | 176.3 | -72.3 | -75.7 | 0 | 0 | 0 | 113.1 | T72 L76 Q77 A78 | T72-Y74 PolarHBondContact O-N 3.3Å; T72-Y74 VanDerWaalsContact O-N 3.1Å; Y74-L76 VanDerWaalsContact C-N 3.27Å; Y74-L76 PolarHBondContact O-N 2.87Å; Y74-Q77 PolarHBondContact O-N 2.89Å; Y74-A78 PolarHBondContact O-N 2.96Å |
| 75 | D | 66.8 | Low | 53.5 | Low | 77 Ų | 77 | 111.4 Ų | 111.4 | 41% | 0.412 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.5 | -40.5 | 173.8 | -59.7 | -47.3 | 0 | 0 | 0 | 110.4 | I71 T72 A78 I79 | I71-D75 HydrophobicContact CB-CB 4.47Å; I71-D75 HydrophobicContact CG2-CB 3.44Å; I71-D75 VanDerWaalsContact CG2-CB 3.44Å; T72-D75 WeakPolarHBondContact CB-OD2 3.41Å; T72-D75 PolarHBondContact N-OD2 3.47Å; T72-D75 WeakPolarHBondContact O-CB 3.47Å; T72-D75 PolarHBondContact O-N 3.4Å; T72-D75 VanDerWaalsContact OG1-CG 3.27Å; T72-D75 PolarHBondContact OG1-N 3.46Å; T72-D75 PolarHBondContact OG1-OD2 3.34Å; D75-A78 PolarHBondContact O-N 3.04Å; D75-I79 WeakPolarHBondContact O-CD1 3.2Å; D75-I79 WeakPolarHBondContact O-CG1 3.36Å; D75-I79 PolarHBondContact O-N 2.99Å |
| 76 | L | 54.4 | Low | 52.3 | Low | 89 Ų | 89 | 113.6 Ų | 113.6 | 47% | 0.466 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.7 | -44.7 | 174.2 | -116.3 | 149.9 | 0 | 0 | 0 | 111.9 | I71 T72 F73 Y74 I79 M80 | I71-L76 HydrophobicContact CG2-CD1 4.46Å; I71-L76 HydrophobicContact CG2-CG 4.35Å; T72-L76 PolarHBondContact O-N 3.05Å; T72-L76 VanDerWaalsContact O-N 3.13Å; F73-L76 WeakPolarHBondContact O-CB 3.49Å; F73-L76 PolarHBondContact O-N 3.23Å; Y74-L76 VanDerWaalsContact C-N 3.27Å; Y74-L76 PolarHBondContact O-N 2.87Å; L76-I79 PolarHBondContact O-N 2.81Å; L76-M80 HydrophobicContact CD2-SD 4.23Å; L76-M80 WeakPolarHBondContact O-CB 3.1Å; L76-M80 VanDerWaalsContact O-CG 3.23Å; L76-M80 WeakPolarHBondContact O-CG 3.3Å; L76-M80 PolarHBondContact O-N 3.09Å |
| 77 | Q | 50.2 | Low | 51.2 | Low | 65 Ų | 65 | 115.7 Ų | 115.7 | 30% | 0.304 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.1 | -36.3 | 175.8 | -73.7 | -168.1 | 7.2 | 0 | 0 | 113.1 | F73 Y74 R81 | F73-Q77 HydrophobicContact CE1-CG 4.38Å; F73-Q77 VanDerWaalsContact CZ-NE2 3.27Å; F73-Q77 PolarHBondContact O-N 3.07Å; F73-Q77 VanDerWaalsContact O-N 3.08Å; Y74-Q77 PolarHBondContact O-N 2.89Å; Q77-R81 WeakPolarHBondContact O-CB 3.31Å; Q77-R81 VanDerWaalsContact O-CG 3.27Å; Q77-R81 WeakPolarHBondContact O-CG 3.21Å; Q77-R81 PolarHBondContact O-N 3.28Å |
| 78 | A | 59.1 | Low | 50.6 | Low | 52 Ų | 52 | 120 Ų | 120 | 43% | 0.43 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.7 | -43.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y74 D75 R81 Q82 | Y74-A78 PolarHBondContact O-N 2.96Å; D75-A78 PolarHBondContact O-N 3.04Å; A78-R81 PolarHBondContact O-N 2.89Å; A78-Q82 PolarHBondContact O-N 3.05Å |
| 79 | I | 58.3 | Low | 50.8 | Low | 80 Ų | 80 | 120.3 Ų | 120.3 | 41% | 0.41 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62 | -45.3 | 175.1 | -66.3 | 163.1 | 0 | 0 | 0 | 110.4 | D75 L76 R81 Q82 Q83 | D75-I79 WeakPolarHBondContact O-CD1 3.2Å; D75-I79 WeakPolarHBondContact O-CG1 3.36Å; D75-I79 PolarHBondContact O-N 2.99Å; L76-I79 PolarHBondContact O-N 2.81Å; I79-R81 PolarHBondContact O-N 3.25Å; I79-Q82 PolarHBondContact O-N 3.47Å; I79-Q83 WeakPolarHBondContact O-CG 3.43Å; I79-Q83 PolarHBondContact O-N 2.76Å; I79-Q83 VanDerWaalsContact O-N 3.16Å |
| 80 | M | 47.1 | Very low | 51.8 | Low | 132 Ų | 132 | 117 Ų | 117 | 65% | 0.65 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.1 | -33.9 | 179.2 | -70 | -178.1 | 87.6 | 0 | 0 | 112.9 | L76 Q83 | L76-M80 HydrophobicContact CD2-SD 4.23Å; L76-M80 WeakPolarHBondContact O-CB 3.1Å; L76-M80 VanDerWaalsContact O-CG 3.23Å; L76-M80 WeakPolarHBondContact O-CG 3.3Å; L76-M80 PolarHBondContact O-N 3.09Å; M80-Q83 PolarHBondContact O-N 2.83Å |
| 81 | R | 49.7 | Very low | 53.6 | Low | 199 Ų | 199 | 110.7 Ų | 110.7 | 75% | 0.751 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -73.3 | -31 | 176.6 | -77.6 | 176.8 | 174.4 | 170.7 | 1 | 113.1 | Q77 A78 I79 | Q77-R81 WeakPolarHBondContact O-CB 3.31Å; Q77-R81 VanDerWaalsContact O-CG 3.27Å; Q77-R81 WeakPolarHBondContact O-CG 3.21Å; Q77-R81 PolarHBondContact O-N 3.28Å; A78-R81 PolarHBondContact O-N 2.89Å; I79-R81 PolarHBondContact O-N 3.25Å |
| 82 | Q | 52 | Low | 55.3 | Low | 173 Ų | 173 | 106.7 Ų | 106.7 | 81% | 0.808 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -77.7 | -20.8 | 174.5 | -74 | -172.2 | -3.3 | 0 | 0 | 113 | A78 I79 G84 | A78-Q82 PolarHBondContact O-N 3.05Å; I79-Q82 PolarHBondContact O-N 3.47Å; Q82-G84 PolarHBondContact O-N 3.27Å |
| 83 | Q | 48.2 | Very low | 57.3 | Low | 104 Ų | 104 | 106.4 Ų | 106.4 | 49% | 0.486 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 28.3 | 171.7 | -72.5 | -177 | -3 | 0 | 0 | 113.5 | I79 M80 S85 M86 | I79-Q83 WeakPolarHBondContact O-CG 3.43Å; I79-Q83 PolarHBondContact O-N 2.76Å; I79-Q83 VanDerWaalsContact O-N 3.16Å; M80-Q83 PolarHBondContact O-N 2.83Å; Q83-S85 PolarHBondContact O-N 2.98Å; Q83-S85 VanDerWaalsContact O-N 3.13Å; Q83-M86 HydrophobicContact CB-CE 4.45Å; Q83-M86 WeakPolarHBondContact O-CG 3.47Å |
| 84 | G | 39.8 | Very low | 59.2 | Low | 74 Ų | 74 | 99.5 Ų | 99.5 | 76% | 0.763 | 51% | 0.509 | S | S | * | . | trans | -65.4 | -6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q82 | Q82-G84 PolarHBondContact O-N 3.27Š| ||
| 85 | S | 43.3 | Very low | 61.1 | Low | 74 Ų | 74 | 92.1 Ų | 92.1 | 52% | 0.517 | 48% | 0.484 | S | S | . | . | trans | -101.9 | 59.2 | 170.6 | -169 | 0 | 0 | 0 | 0 | 111.1 | Q83 M87 | Q83-S85 PolarHBondContact O-N 2.98Å; Q83-S85 VanDerWaalsContact O-N 3.13Å; S85-M87 PolarHBondContact O-N 3.07Å; S85-M87 VanDerWaalsContact O-N 3.16Å | ||
| 86 | M | 43.8 | Very low | 62.5 | Low | 137 Ų | 137 | 88.4 Ų | 88.4 | 68% | 0.675 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 4.3 | -173.7 | -85.2 | -107.2 | 96.4 | 0 | 0 | 115.4 | Q83 | Q83-M86 HydrophobicContact CB-CE 4.45Å; Q83-M86 WeakPolarHBondContact O-CG 3.47Å |
| 87 | M | 41.6 | Very low | 64.6 | Low | 166 Ų | 166 | 84.2 Ų | 84.2 | 82% | 0.818 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -27.7 | -175.9 | -73.4 | -67.5 | -131.1 | 0 | 0 | 114.8 | S85 | S85-M87 PolarHBondContact O-N 3.07Å; S85-M87 VanDerWaalsContact O-N 3.16Å |
| 88 | E | 45.7 | Very low | 66.9 | Low | 166 Ų | 166 | 81.1 Ų | 81.1 | 78% | 0.776 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -29.8 | -172.4 | -73.6 | -176.6 | 157.5 | 0 | 0 | 113.8 | S90 | E88-S90 PolarHBondContact O-N 3.37Š|
| 89 | D | 52.7 | Low | 68.7 | Low | 150 Ų | 150 | 78.6 Ų | 78.6 | 80% | 0.802 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 23.6 | -175.8 | -80.1 | -23.5 | 0 | 0 | 0 | 114.9 | Q91 | D89-Q91 PolarHBondContact O-N 2.92Š|
| 90 | S | 69 | Low | 70.3 | Confident | 52 Ų | 52 | 74.8 Ų | 74.8 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | trans | -74.6 | 20.9 | -179.7 | 61.1 | 0 | 0 | 0 | 0 | 114.9 | E88 | E88-S90 PolarHBondContact O-N 3.37Š| ||
| 91 | Q | 85.6 | Confident | 72.1 | Confident | 54 Ų | 54 | 68.7 Ų | 68.7 | 25% | 0.252 | 36% | 0.357 | S | S | . | . | trans | -70.7 | 129.7 | 178 | -177 | 169.4 | 85.4 | 0 | 0 | 110.3 | D89 H93 N162 | D89-Q91 PolarHBondContact O-N 2.92Å; Q91-H93 PolarHBondContact O-CD2 3.44Å; Q91-H93 PolarHBondContact OE1-CE1 2.85Å; Q91-N162 PolarHBondContact NE2-O 2.89Å | ||
| 92 | C | 90.5 | Very high | 73.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -79.9 | 128 | 177.1 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | P94 L141 I163 V164 S165 | C92-P94 WeakPolarHBondContact O-CD 3.4Å; C92-L141 HydrophobicContact CB-CB 4.17Å; C92-L141 HydrophobicContact CB-CD2 3.95Å; C92-I163 PolarHBondContact N-O 2.9Å; C92-V164 HydrophobicContact CB-CG2 4.47Å; C92-V164 WeakPolarHBondContact O-CA 3.45Å; C92-S165 PolarHBondContact O-N 2.88Å |
| 93 | H | 93.3 | Very high | 75 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | trans | -117.4 | 81.7 | 178.1 | -62.3 | -87.7 | 0 | 0 | 0 | 111.3 | Q91 S165 Q168 | Q91-H93 PolarHBondContact O-CD2 3.44Å; Q91-H93 PolarHBondContact OE1-CE1 2.85Å; H93-S165 PolarHBondContact ND1-OG 3.4Å; H93-Q168 HydrophobicContact CB-CB 4.38Å; H93-Q168 HydrophobicContact CB-CG 4.35Å | ||
| 94 | P | 95.3 | Very high | 76.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -68.3 | 142.9 | 179 | 30.7 | -36.2 | 0 | 0 | 0 | 111.8 | C92 H145 L148 V164 S165 L166 Q168 C169 | C92-P94 WeakPolarHBondContact O-CD 3.4Å; P94-H145 VanDerWaalsContact CA-O 3.29Å; P94-H145 WeakPolarHBondContact CA-O 3.23Å; P94-L148 HydrophobicContact CB-CB 4.01Å; P94-L148 HydrophobicContact CG-CB 4.16Å; P94-L148 HydrophobicContact CG-CD2 4.26Å; P94-V164 HydrophobicContact CG-CG1 4.49Å; P94-S165 WeakPolarHBondContact CD-O 3.32Å; P94-L166 HydrophobicContact CG-CD2 3.95Å; P94-Q168 CarbonylContact O-C 3.58Å; P94-C169 WeakPolarHBondContact O-CA 3.41Å; P94-C169 WeakPolarHBondContact O-CB 3.4Å; P94-C169 PolarHBondContact O-N 2.93Å | ||
| 95 | S | 96.1 | Very high | 78.4 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 17% | 0.168 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -77.6 | -27.6 | 168.9 | -72.7 | 0 | 0 | 0 | 0 | 112.1 | D146 C169 R170 Y171 | S95-D146 PolarHBondContact N-O 3.18Å; S95-C169 CarbonylContact O-C 3.53Å; S95-C169 WeakPolarHBondContact O-CA 3.18Å; S95-R170 PolarHBondContact O-N 2.83Å; S95-Y171 WeakPolarHBondContact O-CD2 3.34Å; S95-Y171 PolarHBondContact O-N 3.08Å; S95-Y171 VanDerWaalsContact O-N 3.15Å |
| 96 | A | 97.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 142.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I53 D146 V147 L148 Y171 | I53-A96 HydrophobicContact CG2-CB 3.46Å; I53-A96 VanDerWaalsContact CG2-CB 3.46Å; A96-D146 PolarHBondContact N-O 3.2Å; A96-V147 HydrophobicContact CB-CG1 4.37Å; A96-V147 HydrophobicContact CB-CG2 4.22Å; A96-V147 WeakPolarHBondContact O-CA 3.28Å; A96-L148 PolarHBondContact O-N 3.39Å; A96-Y171 CarbonylContact C-O 3.47Å; A96-Y171 VanDerWaalsContact CA-O 3.29Å; A96-Y171 WeakPolarHBondContact CA-O 3.41Å; A96-Y171 HydrophobicContact CB-CD2 4.21Å; A96-Y171 HydrophobicContact CB-CG 4.48Å |
| 97 | L | 98.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.5 | 176.2 | 171.2 | 61 | 0 | 0 | 0 | 110.2 | M99 L148 A150 L155 L166 C169 Y171 L172 V173 I192 | L97-M99 HydrophobicContact CD1-CG 4Å; L97-M99 HydrophobicContact CD2-CE 4.4Å; L97-M99 HydrophobicContact CD2-CG 4.02Å; L97-M99 HydrophobicContact CD2-SD 4.2Å; L97-M99 HydrophobicContact CG-CG 3.95Å; L97-L148 CarbonylContact C-O 3.48Å; L97-L148 WeakPolarHBondContact CA-O 3.47Å; L97-L148 HydrophobicContact CD1-CB 4.18Å; L97-L148 HydrophobicContact CD1-CD2 4.24Å; L97-L148 HydrophobicContact CD1-CG 4.34Å; L97-A150 HydrophobicContact CD1-CB 4.28Å; L97-L155 HydrophobicContact CD1-CD2 3.52Å; L97-L155 HydrophobicContact CD2-CD2 3.55Å; L97-L155 HydrophobicContact CG-CD2 4.19Å; L97-L166 HydrophobicContact CD2-CD1 3.98Å; L97-L166 HydrophobicContact CD2-CD2 4.32Å; L97-C169 WeakPolarHBondContact CB-SG 3.4Å; L97-C169 PolarHBondContact N-SG 3.01Å; L97-Y171 PolarHBondContact N-O 3.04Å; L97-L172 HydrophobicContact CB-CD1 4.21Å; L97-L172 HydrophobicContact CD2-CD1 3.85Å; L97-L172 HydrophobicContact CG-CD1 4.01Å; L97-L172 CarbonylContact O-C 3.52Å; L97-L172 WeakPolarHBondContact O-CA 3.26Å; L97-V173 PolarHBondContact O-N 3.48Å; L97-I192 HydrophobicContact CD2-CG2 4.14Å |
| 98 | V | 97.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 113.4 | 168.5 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | F49 I109 L148 V149 A150 V173 | F49-V98 HydrophobicContact CD2-CG2 4.29Å; F49-V98 HydrophobicContact CE2-CG1 3.88Å; F49-V98 HydrophobicContact CE2-CG2 4.01Å; F49-V98 HydrophobicContact CZ-CG1 4.17Å; V98-I109 HydrophobicContact CG1-CD1 3.97Å; V98-I109 HydrophobicContact CG1-CG2 4.08Å; V98-L148 PolarHBondContact N-O 3.1Å; V98-V149 HydrophobicContact CB-CG1 4.21Å; V98-V149 HydrophobicContact CB-CG2 4.47Å; V98-V149 HydrophobicContact CG1-CG1 4.39Å; V98-V149 CarbonylContact O-C 3.57Å; V98-V149 WeakPolarHBondContact O-CA 3.43Å; V98-A150 PolarHBondContact O-N 2.73Å; V98-V173 HydrophobicContact CB-CB 4.25Å; V98-V173 HydrophobicContact CG1-CB 4.02Å; V98-V173 HydrophobicContact CG1-CG1 4.15Å; V98-V173 HydrophobicContact CG2-CB 4.03Å; V98-V173 HydrophobicContact CG2-CG2 4.01Å |
| 99 | M | 96.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 132.5 | 172.4 | -68.8 | -168.1 | -71 | 0 | 0 | 110.7 | L97 A150 P152 L155 L172 V173 L174 D175 M180 I189 I192 I193 | L97-M99 HydrophobicContact CD1-CG 4Å; L97-M99 HydrophobicContact CD2-CE 4.4Å; L97-M99 HydrophobicContact CD2-CG 4.02Å; L97-M99 HydrophobicContact CD2-SD 4.2Å; L97-M99 HydrophobicContact CG-CG 3.95Å; M99-A150 VanDerWaalsContact CA-O 3.29Å; M99-A150 WeakPolarHBondContact CA-O 3.29Å; M99-P152 HydrophobicContact SD-CG 4.31Å; M99-L155 HydrophobicContact CG-CD2 4.41Å; M99-L155 HydrophobicContact SD-CD2 4.22Å; M99-L172 HydrophobicContact CE-CD1 3.94Å; M99-V173 PolarHBondContact N-O 3.38Å; M99-L174 HydrophobicContact CB-CD2 4.05Å; M99-L174 HydrophobicContact CE-CD2 3.22Å; M99-D175 PolarHBondContact O-N 3.02Å; M99-M180 HydrophobicContact CB-CE 4.41Å; M99-M180 HydrophobicContact CB-SD 4.16Å; M99-I189 HydrophobicContact CE-CG2 4.45Å; M99-I192 HydrophobicContact CE-CG2 4.19Å; M99-I192 HydrophobicContact SD-CB 4.47Å; M99-I192 HydrophobicContact SD-CD1 3.55Å; M99-I192 VanDerWaalsContact SD-CD1 3.55Å; M99-I192 HydrophobicContact SD-CG2 4.1Å; M99-I193 HydrophobicContact CE-CG1 4.48Å |
| 100 | A | 92.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -135.7 | 150.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T102 L105 I109 A150 T151 | A100-T102 PolarHBondContact O-N 2.91Å; A100-L105 HydrophobicContact CB-CB 4.3Å; A100-L105 HydrophobicContact CB-CD2 3.97Å; A100-L105 HydrophobicContact CB-CG 3.88Å; A100-I109 HydrophobicContact CB-CD1 3.83Å; A100-A150 PolarHBondContact N-O 2.89Å; A100-T151 WeakPolarHBondContact O-CA 3.41Å | ||
| 101 | P | 84.5 | Confident | 89.5 | Confident | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.019 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -67.2 | -30 | -174.1 | 24.7 | -37.3 | 0 | 0 | 0 | 114.5 | L105 D175 E176 R179 M180 M183 F185 | P101-L105 HydrophobicContact CG-CD2 4.15Å; P101-D175 WeakPolarHBondContact CD-O 3.42Å; P101-E176 HydrophobicContact CG-CB 3.79Å; P101-R179 HydrophobicContact CB-CB 4.25Å; P101-R179 HydrophobicContact CB-CG 3.87Å; P101-R179 HydrophobicContact CG-CB 4.01Å; P101-R179 HydrophobicContact CG-CG 3.84Å; P101-M180 HydrophobicContact CB-CG 3.66Å; P101-M180 HydrophobicContact CG-CG 4.2Å; P101-M183 HydrophobicContact CB-SD 3.93Å; P101-F185 WeakPolarHBondContact O-CE2 3.24Å |
| 102 | T | 81.4 | Confident | 89.6 | Confident | 14 Ų | 14 | 17.5 Ų | 17.5 | 9% | 0.086 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -127.7 | 147.9 | -169.2 | 70.4 | 0 | 0 | 0 | 0 | 111.9 | A100 E104 L105 T106 | A100-T102 PolarHBondContact O-N 2.91Å; T102-E104 PolarHBondContact O-N 3.13Å; T102-L105 PolarHBondContact O-N 3.29Å; T102-L105 VanDerWaalsContact OG1-CB 3.27Å; T102-L105 WeakPolarHBondContact OG1-CB 3.5Å; T102-L105 PolarHBondContact OG1-N 3.1Å; T102-T106 WeakPolarHBondContact O-CB 3.24Å; T102-T106 PolarHBondContact O-N 2.98Å; T102-T106 PolarHBondContact O-OG1 3.36Å |
| 103 | R | 82 | Confident | 89.7 | Confident | 17 Ų | 17 | 17.6 Ų | 17.6 | 6% | 0.064 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -56.1 | -36.7 | 175.7 | 161.2 | 169.5 | -174.9 | -176.8 | 9.9 | 112.4 | R107 H128 Q321 W357 | R103-R107 WeakPolarHBondContact O-CB 3.47Å; R103-R107 PolarHBondContact O-N 3.38Å; R103-H128 HydrophobicContact CB-CB 3.88Å; R103-H128 VanDerWaalsContact CD-CE1 3.47Å; R103-H128 WeakPolarHBondContact CD-CE1 3.36Å; R103-H128 VanDerWaalsContact CD-ND1 3.26Å; R103-H128 WeakPolarHBondContact CD-ND1 3.24Å; R103-H128 HydrophobicContact CG-CB 4.09Å; R103-H128 VanDerWaalsContact CG-CG 3.49Å; R103-H128 PolarHBondContact NE-CE1 2.92Å; R103-H128 PolarHBondContact NE-ND1 3.47Å; R103-H128 PolarHBondContact NE-NE2 3.47Å; R103-Q321 VanDerWaalsContact NE-CD 3.35Å; R103-Q321 VanDerWaalsContact NH1-CG 3.35Å; R103-W357 HydrophobicContact CB-CH2 3.83Å; R103-W357 HydrophobicContact CB-CZ3 4.29Å; R103-W357 HydrophobicContact CG-CH2 4.28Å |
| 104 | E | 76.7 | Confident | 89.6 | Confident | 12 Ų | 12 | 18.6 Ų | 18.6 | 6% | 0.056 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.4 | -46.9 | -179.3 | -76.7 | 61.4 | -143 | 0 | 0 | 110.7 | T102 R107 Q108 Q321 R324 W357 V359 L364 | T102-E104 PolarHBondContact O-N 3.13Å; E104-R107 PolarHBondContact O-N 3.41Å; E104-Q108 WeakPolarHBondContact O-CB 3.47Å; E104-Q108 PolarHBondContact O-N 2.99Å; E104-Q321 PolarHBondContact OE1-NE2 2.84Å; E104-Q321 PolarHBondContact OE1-OE1 3.15Å; E104-R324 IonicContact OE1-CZ 2.66Å; E104-R324 IonicContact OE1-NH1 2.63Å; E104-R324 PolarHBondContact OE1-NH1 3.48Å; E104-R324 IonicContact OE1-NH2 3.57Å; E104-W357 VanDerWaalsContact OE1-CH2 3.27Å; E104-W357 WeakPolarHBondContact OE1-CH2 3.41Å; E104-W357 WeakPolarHBondContact OE1-CZ2 3.49Å; E104-W357 WeakPolarHBondContact OE2-CH2 3.2Å; E104-W357 WeakPolarHBondContact OE2-CZ2 3.36Å; E104-V359 HydrophobicContact CB-CG1 4.49Å; E104-V359 HydrophobicContact CG-CG1 3.68Å; E104-V359 VanDerWaalsContact OE2-CG2 3.31Å; E104-V359 WeakPolarHBondContact OE2-CG2 3.39Å; E104-L364 HydrophobicContact CB-CD2 3.86Å; E104-L364 HydrophobicContact CB-CG 4.36Å; E104-L364 HydrophobicContact CG-CD2 4.02Å |
| 105 | L | 83.1 | Confident | 89.1 | Confident | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.3 | -44.5 | 175.6 | -178.5 | 55.1 | 0 | 0 | 0 | 110.4 | A100 P101 T102 R107 Q108 I109 E176 | A100-L105 HydrophobicContact CB-CB 4.3Å; A100-L105 HydrophobicContact CB-CD2 3.97Å; A100-L105 HydrophobicContact CB-CG 3.88Å; P101-L105 HydrophobicContact CG-CD2 4.15Å; T102-L105 PolarHBondContact O-N 3.29Å; T102-L105 VanDerWaalsContact OG1-CB 3.27Å; T102-L105 WeakPolarHBondContact OG1-CB 3.5Å; T102-L105 PolarHBondContact OG1-N 3.1Å; L105-R107 VanDerWaalsContact C-N 3.26Å; L105-R107 PolarHBondContact O-N 2.9Å; L105-Q108 PolarHBondContact O-N 2.99Å; L105-I109 HydrophobicContact CD1-CD1 4.05Å; L105-I109 HydrophobicContact CD1-CG1 4.14Å; L105-I109 HydrophobicContact CG-CD1 3.88Å; L105-I109 HydrophobicContact CG-CG1 4.46Å; L105-I109 WeakPolarHBondContact O-CD1 3.31Å; L105-I109 VanDerWaalsContact O-CG1 3.22Å; L105-I109 WeakPolarHBondContact O-CG1 3.34Å; L105-I109 PolarHBondContact O-N 3.31Å; L105-E176 HydrophobicContact CD2-CB 4.14Å; L105-E176 VanDerWaalsContact CD2-CD 3.47Å; L105-E176 HydrophobicContact CD2-CG 3.68Å |
| 106 | T | 88.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -54.4 | -43.1 | 172.5 | -51.2 | 0 | 0 | 0 | 0 | 111.5 | T102 F110 I126 V149 T151 | T102-T106 WeakPolarHBondContact O-CB 3.24Å; T102-T106 PolarHBondContact O-N 2.98Å; T102-T106 PolarHBondContact O-OG1 3.36Å; T106-F110 WeakPolarHBondContact O-CB 3.29Å; T106-F110 PolarHBondContact O-N 3.13Å; T106-I126 HydrophobicContact CG2-CD1 3.88Å; T106-I126 HydrophobicContact CG2-CG1 3.63Å; T106-V149 VanDerWaalsContact CG2-C 3.49Å; T106-V149 HydrophobicContact CG2-CB 4.02Å; T106-V149 HydrophobicContact CG2-CG1 3.53Å; T106-V149 VanDerWaalsContact CG2-O 3.29Å; T106-V149 WeakPolarHBondContact CG2-O 2.95Å; T106-V149 WeakPolarHBondContact O-CG1 3.37Å; T106-T151 WeakPolarHBondContact OG1-CG2 3.2Å |
| 107 | R | 86.2 | Confident | 88.1 | Confident | 47 Ų | 47 | 24 Ų | 24 | 18% | 0.177 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -71.5 | -39.3 | 178.2 | 178.9 | 154.5 | 44.4 | -179 | -9.7 | 113.3 | R103 E104 L105 I109 F110 E111 I126 E325 | R103-R107 WeakPolarHBondContact O-CB 3.47Å; R103-R107 PolarHBondContact O-N 3.38Å; E104-R107 PolarHBondContact O-N 3.41Å; L105-R107 VanDerWaalsContact C-N 3.26Å; L105-R107 PolarHBondContact O-N 2.9Å; R107-I109 VanDerWaalsContact C-N 3.31Å; R107-I109 PolarHBondContact O-N 3.3Å; R107-F110 WeakPolarHBondContact O-CB 3.45Å; R107-F110 PolarHBondContact O-N 3.43Å; R107-E111 WeakPolarHBondContact CD-OE1 3.24Å; R107-E111 HydrophobicContact CG-CG 4.05Å; R107-E111 VanDerWaalsContact CG-OE1 3.24Å; R107-E111 WeakPolarHBondContact CG-OE1 3.38Å; R107-E111 WeakPolarHBondContact O-CB 3.37Å; R107-E111 WeakPolarHBondContact O-CG 3.37Å; R107-E111 PolarHBondContact O-N 3.26Å; R107-I126 VanDerWaalsContact CA-CD1 3.42Å; R107-I126 HydrophobicContact CB-CD1 3.76Å; R107-I126 HydrophobicContact CG-CD1 4.38Å; R107-E325 VanDerWaalsContact CZ-CD 3.48Å; R107-E325 IonicContact CZ-OE1 3.75Å; R107-E325 IonicContact CZ-OE2 2.75Å; R107-E325 IonicContact NH1-OE1 3.89Å; R107-E325 PolarHBondContact NH1-OE1 3.39Å; R107-E325 IonicContact NH1-OE2 3.93Å; R107-E325 PolarHBondContact NH1-OE2 3.49Å; R107-E325 VanDerWaalsContact NH1-OE2 3.17Å; R107-E325 IonicContact NH2-OE1 2.67Å; R107-E325 PolarHBondContact NH2-OE1 2.7Å |
| 108 | Q | 82.6 | Confident | 87.5 | Confident | 36 Ų | 36 | 31.2 Ų | 31.2 | 17% | 0.168 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 174.7 | 180 | 177.5 | -52.1 | 0 | 0 | 111 | E104 L105 F110 E111 E112 G363 | E104-Q108 WeakPolarHBondContact O-CB 3.47Å; E104-Q108 PolarHBondContact O-N 2.99Å; L105-Q108 PolarHBondContact O-N 2.99Å; Q108-F110 VanDerWaalsContact C-N 3.34Å; Q108-F110 PolarHBondContact O-N 2.87Å; Q108-E111 PolarHBondContact O-N 2.97Å; Q108-E112 WeakPolarHBondContact O-CB 3.5Å; Q108-E112 PolarHBondContact O-N 2.96Å; Q108-G363 PolarHBondContact NE2-O 3.48Å; Q108-G363 PolarHBondContact OE1-O 3.43Å |
| 109 | I | 89.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 175.6 | -62.6 | 161.2 | 0 | 0 | 0 | 110.2 | T46 F49 L50 V98 A100 L105 R107 E112 S113 V149 D175 | T46-I109 HydrophobicContact CG2-CB 4.13Å; T46-I109 HydrophobicContact CG2-CG1 4.01Å; T46-I109 HydrophobicContact CG2-CG2 3.97Å; F49-I109 HydrophobicContact CE2-CG2 4.1Å; F49-I109 HydrophobicContact CZ-CD1 4.43Å; F49-I109 HydrophobicContact CZ-CG1 4.35Å; F49-I109 HydrophobicContact CZ-CG2 4.28Å; L50-I109 HydrophobicContact CD1-CG2 4.48Å; L50-I109 HydrophobicContact CD2-CG2 4.4Å; V98-I109 HydrophobicContact CG1-CD1 3.97Å; V98-I109 HydrophobicContact CG1-CG2 4.08Å; A100-I109 HydrophobicContact CB-CD1 3.83Å; L105-I109 HydrophobicContact CD1-CD1 4.05Å; L105-I109 HydrophobicContact CD1-CG1 4.14Å; L105-I109 HydrophobicContact CG-CD1 3.88Å; L105-I109 HydrophobicContact CG-CG1 4.46Å; L105-I109 WeakPolarHBondContact O-CD1 3.31Å; L105-I109 VanDerWaalsContact O-CG1 3.22Å; L105-I109 WeakPolarHBondContact O-CG1 3.34Å; L105-I109 PolarHBondContact O-N 3.31Å; R107-I109 VanDerWaalsContact C-N 3.31Å; R107-I109 PolarHBondContact O-N 3.3Å; I109-E112 PolarHBondContact O-N 3.39Å; I109-S113 WeakPolarHBondContact O-CB 3.21Å; I109-S113 PolarHBondContact O-N 2.98Å; I109-V149 HydrophobicContact CB-CG1 3.79Å; I109-V149 HydrophobicContact CD1-CG1 4.3Å; I109-V149 HydrophobicContact CG2-CB 4.49Å; I109-V149 HydrophobicContact CG2-CG1 3.65Å; I109-V149 HydrophobicContact CG2-CG2 3.93Å; I109-D175 HydrophobicContact CD1-CB 4.32Å |
| 110 | F | 92 | Very high | 86.3 | Confident | 38 Ų | 38 | 37.5 Ų | 37.5 | 17% | 0.167 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.7 | -49.3 | 176.4 | 170.1 | -96.7 | 0 | 0 | 0 | 112.5 | T106 R107 Q108 E112 S113 I114 T124 I126 | T106-F110 WeakPolarHBondContact O-CB 3.29Å; T106-F110 PolarHBondContact O-N 3.13Å; R107-F110 WeakPolarHBondContact O-CB 3.45Å; R107-F110 PolarHBondContact O-N 3.43Å; Q108-F110 VanDerWaalsContact C-N 3.34Å; Q108-F110 PolarHBondContact O-N 2.87Å; F110-E112 VanDerWaalsContact C-N 3.32Å; F110-E112 PolarHBondContact O-N 3.49Å; F110-S113 WeakPolarHBondContact O-CA 3.43Å; F110-S113 VanDerWaalsContact O-CB 3.26Å; F110-S113 WeakPolarHBondContact O-CB 3.27Å; F110-S113 PolarHBondContact O-N 3.33Å; F110-S113 VanDerWaalsContact O-N 3.13Å; F110-I114 HydrophobicContact CD1-CG1 4.42Å; F110-I114 HydrophobicContact CD2-CG1 4.44Å; F110-I114 HydrophobicContact CE1-CG1 4.01Å; F110-I114 HydrophobicContact CE2-CD1 4.09Å; F110-I114 HydrophobicContact CE2-CG1 4.05Å; F110-I114 HydrophobicContact CZ-CD1 4.11Å; F110-I114 HydrophobicContact CZ-CG1 3.82Å; F110-I114 WeakPolarHBondContact O-CG1 3.45Å; F110-I114 PolarHBondContact O-N 3.12Å; F110-T124 HydrophobicContact CD2-CG2 3.84Å; F110-T124 HydrophobicContact CE2-CG2 4.39Å; F110-T124 WeakPolarHBondContact CE2-O 3.38Å; F110-I126 HydrophobicContact CB-CB 4.09Å; F110-I126 HydrophobicContact CB-CD1 3.82Å; F110-I126 HydrophobicContact CB-CG1 4.38Å; F110-I126 HydrophobicContact CD1-CB 4.5Å; F110-I126 HydrophobicContact CD1-CD1 4.47Å; F110-I126 HydrophobicContact CD1-CG2 4.24Å; F110-I126 HydrophobicContact CD2-CB 3.65Å; F110-I126 HydrophobicContact CD2-CG2 3.86Å; F110-I126 HydrophobicContact CE1-CG2 4.31Å; F110-I126 HydrophobicContact CE2-CB 4.18Å; F110-I126 HydrophobicContact CE2-CG2 3.92Å; F110-I126 HydrophobicContact CG-CB 3.83Å; F110-I126 HydrophobicContact CG-CD1 4.14Å; F110-I126 HydrophobicContact CG-CG2 4.02Å; F110-I126 HydrophobicContact CZ-CG2 4.16Å |
| 111 | E | 88.4 | Confident | 86 | Confident | 92 Ų | 92 | 46.1 Ų | 46.1 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 178.7 | -73.9 | 171.5 | -174.4 | 0 | 0 | 111.1 | R107 Q108 S113 I114 R115 | R107-E111 WeakPolarHBondContact CD-OE1 3.24Å; R107-E111 HydrophobicContact CG-CG 4.05Å; R107-E111 VanDerWaalsContact CG-OE1 3.24Å; R107-E111 WeakPolarHBondContact CG-OE1 3.38Å; R107-E111 WeakPolarHBondContact O-CB 3.37Å; R107-E111 WeakPolarHBondContact O-CG 3.37Å; R107-E111 PolarHBondContact O-N 3.26Å; Q108-E111 PolarHBondContact O-N 2.97Å; E111-S113 VanDerWaalsContact C-N 3.34Å; E111-I114 PolarHBondContact O-N 3.01Å; E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 WeakPolarHBondContact O-CG 3.5Å; E111-R115 PolarHBondContact O-N 2.72Å |
| 112 | E | 88.9 | Confident | 86.2 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 173.1 | -166.4 | 61.4 | -120 | 0 | 0 | 111.7 | Y19 T46 I47 L50 Q108 I109 F110 I114 R115 M116 | Y19-E112 PolarHBondContact OH-OE1 3.23Å; Y19-E112 VanDerWaalsContact OH-OE1 3.04Å; T46-E112 HydrophobicContact CG2-CB 3.92Å; T46-E112 HydrophobicContact CG2-CG 3.93Å; I47-E112 HydrophobicContact CD1-CG 3.89Å; I47-E112 HydrophobicContact CG1-CG 4.48Å; L50-E112 HydrophobicContact CD1-CB 4.23Å; L50-E112 HydrophobicContact CD1-CG 4.18Å; Q108-E112 WeakPolarHBondContact O-CB 3.5Å; Q108-E112 PolarHBondContact O-N 2.96Å; I109-E112 PolarHBondContact O-N 3.39Å; F110-E112 VanDerWaalsContact C-N 3.32Å; F110-E112 PolarHBondContact O-N 3.49Å; E112-I114 PolarHBondContact O-N 3.08Å; E112-R115 PolarHBondContact O-N 3.46Å; E112-R115 IonicContact OE1-NE 2.99Å; E112-R115 IonicContact OE1-NH2 2.82Å; E112-R115 IonicContact OE2-CZ 3.34Å; E112-R115 IonicContact OE2-NE 3.35Å; E112-R115 IonicContact OE2-NH2 2.63Å; E112-R115 PolarHBondContact OE2-NH2 2.87Å; E112-M116 VanDerWaalsContact O-CB 3.25Å; E112-M116 WeakPolarHBondContact O-CB 3.29Å; E112-M116 PolarHBondContact O-N 3.37Å |
| 113 | S | 91.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 176.2 | -166.4 | 0 | 0 | 0 | 0 | 111.7 | F54 I109 F110 E111 G117 T124 | F54-S113 WeakPolarHBondContact CZ-OG 3.32Å; I109-S113 WeakPolarHBondContact O-CB 3.21Å; I109-S113 PolarHBondContact O-N 2.98Å; F110-S113 WeakPolarHBondContact O-CA 3.43Å; F110-S113 VanDerWaalsContact O-CB 3.26Å; F110-S113 WeakPolarHBondContact O-CB 3.27Å; F110-S113 PolarHBondContact O-N 3.33Å; F110-S113 VanDerWaalsContact O-N 3.13Å; E111-S113 VanDerWaalsContact C-N 3.34Å; S113-G117 WeakPolarHBondContact O-CA 3.15Å; S113-G117 PolarHBondContact O-N 3.32Å; S113-T124 WeakPolarHBondContact OG-CG2 3.29Å; S113-T124 PolarHBondContact OG-OG1 2.79Å |
| 114 | I | 90.7 | Very high | 87.1 | Confident | 87 Ų | 87 | 51.2 Ų | 51.2 | 45% | 0.446 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.1 | -43.7 | 175.4 | -63.3 | -57.6 | 0 | 0 | 0 | 111.2 | F110 E111 E112 G117 R118 | F110-I114 HydrophobicContact CD1-CG1 4.42Å; F110-I114 HydrophobicContact CD2-CG1 4.44Å; F110-I114 HydrophobicContact CE1-CG1 4.01Å; F110-I114 HydrophobicContact CE2-CD1 4.09Å; F110-I114 HydrophobicContact CE2-CG1 4.05Å; F110-I114 HydrophobicContact CZ-CD1 4.11Å; F110-I114 HydrophobicContact CZ-CG1 3.82Å; F110-I114 WeakPolarHBondContact O-CG1 3.45Å; F110-I114 PolarHBondContact O-N 3.12Å; E111-I114 PolarHBondContact O-N 3.01Å; E112-I114 PolarHBondContact O-N 3.08Å; I114-G117 PolarHBondContact O-N 3.18Å; I114-R118 PolarHBondContact O-N 3.42Å |
| 115 | R | 85.9 | Confident | 87.9 | Confident | 130 Ų | 130 | 50.6 Ų | 50.6 | 49% | 0.491 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 178.4 | -75.7 | -165.4 | -59 | 179.9 | -2.5 | 111.7 | R16 L17 E111 E112 | R16-R115 PolarHBondContact NH2-O 3.24Å; L17-R115 HydrophobicContact CD1-CB 4.39Å; L17-R115 HydrophobicContact CD2-CB 4.17Å; E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 WeakPolarHBondContact O-CG 3.5Å; E111-R115 PolarHBondContact O-N 2.72Å; E112-R115 PolarHBondContact O-N 3.46Å; E112-R115 IonicContact OE1-NE 2.99Å; E112-R115 IonicContact OE1-NH2 2.82Å; E112-R115 IonicContact OE2-CZ 3.34Å; E112-R115 IonicContact OE2-NE 3.35Å; E112-R115 IonicContact OE2-NH2 2.63Å; E112-R115 PolarHBondContact OE2-NH2 2.87Å |
| 116 | M | 85.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.8 | -31.9 | 180 | -169.8 | -164.5 | 70.7 | 0 | 0 | 112.1 | N13 L17 I47 L50 A51 F54 E112 R118 | N13-M116 WeakPolarHBondContact CB-O 3.34Å; N13-M116 PolarHBondContact ND2-O 3.35Å; L17-M116 HydrophobicContact CD1-CB 4.39Å; I47-M116 HydrophobicContact CD1-CB 4.29Å; I47-M116 HydrophobicContact CD1-CG 4.06Å; I47-M116 HydrophobicContact CD1-SD 3.64Å; L50-M116 HydrophobicContact CB-CE 3.62Å; L50-M116 HydrophobicContact CB-SD 3.93Å; A51-M116 HydrophobicContact CB-SD 3.92Å; F54-M116 HydrophobicContact CB-CE 3.89Å; F54-M116 HydrophobicContact CD1-CE 3.57Å; F54-M116 HydrophobicContact CD2-CE 3.36Å; F54-M116 HydrophobicContact CE1-CE 3.91Å; F54-M116 HydrophobicContact CE2-CE 3.74Å; F54-M116 HydrophobicContact CG-CE 3.29Å; F54-M116 HydrophobicContact CZ-CE 4Å; E112-M116 VanDerWaalsContact O-CB 3.25Å; E112-M116 WeakPolarHBondContact O-CB 3.29Å; E112-M116 PolarHBondContact O-N 3.37Å; M116-R118 VanDerWaalsContact C-N 3.32Å; M116-R118 PolarHBondContact O-N 3.03Å |
| 117 | G | 85.8 | Confident | 88.4 | Confident | 9 Ų | 9 | 51 Ų | 51 | 9% | 0.093 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -0.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | F54 S113 I114 N119 C120 | F54-G117 VanDerWaalsContact CE2-CA 3.44Å; S113-G117 WeakPolarHBondContact O-CA 3.15Å; S113-G117 PolarHBondContact O-N 3.32Å; I114-G117 PolarHBondContact O-N 3.18Å; G117-N119 PolarHBondContact O-N 3.44Å; G117-C120 VanDerWaalsContact O-CB 3.3Å; G117-C120 WeakPolarHBondContact O-CB 3.47Å; G117-C120 PolarHBondContact O-N 2.82Å |
| 118 | R | 85.7 | Confident | 88.5 | Confident | 151 Ų | 151 | 49.1 Ų | 49.1 | 57% | 0.57 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 126.9 | -178.2 | -170.5 | 173.1 | -180 | 166.9 | -0.8 | 110.1 | N13 I114 M116 C120 | N13-R118 PolarHBondContact ND2-O 3.49Å; N13-R118 PolarHBondContact OD1-O 3.24Å; I114-R118 PolarHBondContact O-N 3.42Å; M116-R118 VanDerWaalsContact C-N 3.32Å; M116-R118 PolarHBondContact O-N 3.03Å; R118-C120 PolarHBondContact O-N 3.49Å |
| 119 | N | 84.5 | Confident | 88.1 | Confident | 128 Ų | 128 | 48.6 Ų | 48.6 | 68% | 0.684 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 2.2 | -176.6 | -47.7 | -23.1 | 0 | 0 | 0 | 116 | V9 G117 M121 | V9-N119 HydrophobicContact CG1-CB 4.05Å; V9-N119 WeakPolarHBondContact CG1-O 3.39Å; G117-N119 PolarHBondContact O-N 3.44Å; N119-M121 VanDerWaalsContact C-N 3.25Å; N119-M121 PolarHBondContact O-N 2.85Å |
| 120 | C | 84.8 | Confident | 87.1 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -79.6 | -4.4 | 174.8 | -61 | 0 | 0 | 0 | 0 | 113.1 | L58 G117 R118 I122 | L58-C120 HydrophobicContact CD1-CB 4.24Å; L58-C120 HydrophobicContact CD2-CB 4.41Å; L58-C120 WeakPolarHBondContact CD2-O 3.37Å; G117-C120 VanDerWaalsContact O-CB 3.3Å; G117-C120 WeakPolarHBondContact O-CB 3.47Å; G117-C120 PolarHBondContact O-N 2.82Å; R118-C120 PolarHBondContact O-N 3.49Å; C120-I122 HydrophobicContact CB-CB 4.32Å; C120-I122 HydrophobicContact CB-CD1 4.11Å; C120-I122 HydrophobicContact CB-CG1 4.15Å; C120-I122 PolarHBondContact O-N 3.15Å |
| 121 | M | 85.4 | Confident | 85.3 | Confident | 182 Ų | 182 | 52.9 Ų | 52.9 | 90% | 0.897 | 27% | 0.266 | S | S | * | . | trans | 54.1 | 15.3 | -170.7 | -58.1 | -175.6 | 175.7 | 0 | 0 | 114.6 | N119 | N119-M121 VanDerWaalsContact C-N 3.25Å; N119-M121 PolarHBondContact O-N 2.85Å | ||
| 122 | I | 89.3 | Confident | 83.9 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 10% | 0.097 | 27% | 0.274 | C | S | . | . | trans | -87.2 | 126.9 | 176.2 | -70.5 | 172.2 | 0 | 0 | 0 | 108.8 | F54 V57 L58 C120 D146 V147 | F54-I122 HydrophobicContact CB-CD1 3.74Å; F54-I122 HydrophobicContact CD1-CD1 4.27Å; F54-I122 HydrophobicContact CD2-CB 4.29Å; F54-I122 HydrophobicContact CD2-CD1 3.42Å; F54-I122 VanDerWaalsContact CD2-CD1 3.42Å; F54-I122 HydrophobicContact CD2-CG1 4.42Å; F54-I122 HydrophobicContact CD2-CG2 4.27Å; F54-I122 HydrophobicContact CE1-CG2 4.15Å; F54-I122 HydrophobicContact CE2-CB 3.96Å; F54-I122 HydrophobicContact CE2-CD1 3.98Å; F54-I122 HydrophobicContact CE2-CG2 3.73Å; F54-I122 HydrophobicContact CG-CD1 3.56Å; F54-I122 HydrophobicContact CZ-CB 4.39Å; F54-I122 HydrophobicContact CZ-CG2 3.65Å; V57-I122 HydrophobicContact CB-CD1 4.18Å; V57-I122 HydrophobicContact CG1-CD1 4.02Å; V57-I122 HydrophobicContact CG1-CG1 4Å; L58-I122 HydrophobicContact CD2-CD1 4.35Å; L58-I122 HydrophobicContact CD2-CG1 4.41Å; L58-I122 HydrophobicContact CG-CD1 3.96Å; C120-I122 HydrophobicContact CB-CB 4.32Å; C120-I122 HydrophobicContact CB-CD1 4.11Å; C120-I122 HydrophobicContact CB-CG1 4.15Å; C120-I122 PolarHBondContact O-N 3.15Å; I122-D146 HydrophobicContact CG2-CB 4.23Å; I122-V147 HydrophobicContact CG2-CG2 3.75Å | ||
| 123 | R | 90.7 | Very high | 82.9 | Confident | 115 Ų | 115 | 56.5 Ų | 56.5 | 43% | 0.434 | 28% | 0.284 | S | S | . | . | trans | -98.8 | 120.9 | 176.4 | -64.7 | 179.3 | -67.7 | 173.7 | 6.1 | 109.8 | S143 G144 D146 V147 | R123-S143 VanDerWaalsContact CZ-O 3.32Å; R123-S143 PolarHBondContact NH1-O 3.04Å; R123-S143 PolarHBondContact NH2-O 3.13Å; R123-G144 PolarHBondContact NE-O 2.63Å; R123-G144 PolarHBondContact NH1-O 2.82Å; R123-G144 PolarHBondContact NH2-O 3.13Å; R123-D146 PolarHBondContact N-OD2 3.04Å; R123-D146 PolarHBondContact O-N 3.07Å; R123-V147 PolarHBondContact O-N 2.81Å; R123-V147 VanDerWaalsContact O-N 3.09Å | ||
| 124 | T | 92.5 | Very high | 82.2 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.4 | 174.1 | -51.3 | 0 | 0 | 0 | 0 | 110 | F110 S113 H145 V147 V149 | F110-T124 HydrophobicContact CD2-CG2 3.84Å; F110-T124 HydrophobicContact CE2-CG2 4.39Å; F110-T124 WeakPolarHBondContact CE2-O 3.38Å; S113-T124 WeakPolarHBondContact OG-CG2 3.29Å; S113-T124 PolarHBondContact OG-OG1 2.79Å; T124-H145 PolarHBondContact O-CD2 2.85Å; T124-V147 CarbonylContact C-O 3.43Å; T124-V147 VanDerWaalsContact CA-O 3.26Å; T124-V147 WeakPolarHBondContact CA-O 3.38Å; T124-V147 HydrophobicContact CG2-CB 4.07Å; T124-V147 HydrophobicContact CG2-CG1 4.03Å; T124-V149 HydrophobicContact CG2-CG2 3.73Å |
| 125 | A | 92.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 156.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M140 L141 H145 V147 L148 V149 | A125-M140 HydrophobicContact CB-CE 4Å; A125-L141 HydrophobicContact CB-CD2 4.08Å; A125-H145 HydrophobicContact CB-CB 3.95Å; A125-H145 VanDerWaalsContact CB-CD2 3.46Å; A125-H145 WeakPolarHBondContact CB-CD2 2.97Å; A125-H145 PolarHBondContact N-CD2 3.04Å; A125-V147 PolarHBondContact N-O 3.31Å; A125-L148 HydrophobicContact CB-CD1 3.71Å; A125-V149 PolarHBondContact O-N 3.34Å |
| 126 | I | 91.9 | Very high | 81.4 | Confident | 13 Ų | 13 | 65.7 Ų | 65.7 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 131.6 | 178 | -179.9 | 167.4 | 0 | 0 | 0 | 111.7 | T106 R107 F110 M140 V149 | T106-I126 HydrophobicContact CG2-CD1 3.88Å; T106-I126 HydrophobicContact CG2-CG1 3.63Å; R107-I126 VanDerWaalsContact CA-CD1 3.42Å; R107-I126 HydrophobicContact CB-CD1 3.76Å; R107-I126 HydrophobicContact CG-CD1 4.38Å; F110-I126 HydrophobicContact CB-CB 4.09Å; F110-I126 HydrophobicContact CB-CD1 3.82Å; F110-I126 HydrophobicContact CB-CG1 4.38Å; F110-I126 HydrophobicContact CD1-CB 4.5Å; F110-I126 HydrophobicContact CD1-CD1 4.47Å; F110-I126 HydrophobicContact CD1-CG2 4.24Å; F110-I126 HydrophobicContact CD2-CB 3.65Å; F110-I126 HydrophobicContact CD2-CG2 3.86Å; F110-I126 HydrophobicContact CE1-CG2 4.31Å; F110-I126 HydrophobicContact CE2-CB 4.18Å; F110-I126 HydrophobicContact CE2-CG2 3.92Å; F110-I126 HydrophobicContact CG-CB 3.83Å; F110-I126 HydrophobicContact CG-CD1 4.14Å; F110-I126 HydrophobicContact CG-CG2 4.02Å; F110-I126 HydrophobicContact CZ-CG2 4.16Å; I126-M140 HydrophobicContact CG2-CE 3.99Å; I126-V149 CarbonylContact C-O 3.46Å; I126-V149 VanDerWaalsContact CA-O 3.31Å; I126-V149 WeakPolarHBondContact CA-O 3.15Å |
| 127 | L | 91.8 | Very high | 81.1 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 113.7 | 179.3 | -61.2 | 179.7 | 0 | 0 | 0 | 112 | Q137 L141 L148 V149 A150 T151 R154 L155 L158 V164 | L127-Q137 HydrophobicContact CD2-CB 4Å; L127-Q137 HydrophobicContact CD2-CG 4.26Å; L127-L141 HydrophobicContact CD2-CD1 4.02Å; L127-L141 HydrophobicContact CD2-CD2 4.47Å; L127-L141 HydrophobicContact CD2-CG 4.38Å; L127-L148 HydrophobicContact CD1-CD1 3.62Å; L127-L148 HydrophobicContact CD1-CD2 3.7Å; L127-L148 HydrophobicContact CD1-CG 3.93Å; L127-L148 HydrophobicContact CG-CD1 3.74Å; L127-L148 HydrophobicContact CG-CG 4.37Å; L127-V149 PolarHBondContact N-O 2.81Å; L127-A150 HydrophobicContact CB-CB 3.84Å; L127-A150 HydrophobicContact CD1-CB 4.46Å; L127-A150 CarbonylContact O-C 3.53Å; L127-A150 WeakPolarHBondContact O-CA 3.49Å; L127-T151 PolarHBondContact O-N 3.38Å; L127-R154 HydrophobicContact CB-CG 4.03Å; L127-L155 HydrophobicContact CD1-CD1 4.14Å; L127-L158 HydrophobicContact CD1-CD1 3.73Å; L127-L158 HydrophobicContact CD2-CD1 3.51Å; L127-L158 HydrophobicContact CG-CD1 4.15Å; L127-V164 HydrophobicContact CD1-CG2 4.4Å |
| 128 | H | 86.8 | Confident | 80.9 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 3% | 0.032 | 32% | 0.319 | C | S | . | . | trans | -148.9 | 158 | 174.7 | 60.2 | 57.1 | 0 | 0 | 0 | 111.5 | R103 Q137 T151 R154 | R103-H128 HydrophobicContact CB-CB 3.88Å; R103-H128 VanDerWaalsContact CD-CE1 3.47Å; R103-H128 WeakPolarHBondContact CD-CE1 3.36Å; R103-H128 VanDerWaalsContact CD-ND1 3.26Å; R103-H128 WeakPolarHBondContact CD-ND1 3.24Å; R103-H128 HydrophobicContact CG-CB 4.09Å; R103-H128 VanDerWaalsContact CG-CG 3.49Å; R103-H128 PolarHBondContact NE-CE1 2.92Å; R103-H128 PolarHBondContact NE-ND1 3.47Å; R103-H128 PolarHBondContact NE-NE2 3.47Å; H128-Q137 PolarHBondContact O-NE2 2.85Å; H128-T151 WeakPolarHBondContact CA-OG1 3.47Å; H128-T151 HydrophobicContact CB-CG2 3.89Å; H128-R154 VanDerWaalsContact O-CZ 3.31Å; H128-R154 PolarHBondContact O-NH1 2.81Å | ||
| 129 | G | 74.5 | Confident | 80.6 | Confident | 25 Ų | 25 | 63.5 Ų | 63.5 | 26% | 0.258 | 31% | 0.312 | S | S | . | . | trans | -57.1 | 157.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 130 | G | 68.5 | Low | 80.3 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 17% | 0.165 | 29% | 0.286 | C | S | . | . | trans | 125.4 | 139.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R154 | G130-R154 PolarHBondContact O-NH2 3.1Š| ||
| 131 | S | 55.1 | Low | 80.3 | Confident | 112 Ų | 112 | 58.7 Ų | 58.7 | 78% | 0.783 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -73.6 | -35.1 | -175.3 | 43.6 | 0 | 0 | 0 | 0 | 113.1 | N133 | S131-N133 PolarHBondContact O-N 3.44Š|
| 132 | E | 59.5 | Low | 79.9 | Confident | 128 Ų | 128 | 57.4 Ų | 57.4 | 60% | 0.598 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.2 | -168 | -65.9 | 176.2 | 178.5 | 0 | 0 | 114.9 | ||
| 133 | N | 67.5 | Low | 79.2 | Confident | 55 Ų | 55 | 59.7 Ų | 59.7 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | 13.7 | -170.7 | -69.8 | -10.9 | 0 | 0 | 0 | 114.9 | S131 Y136 Q137 | S131-N133 PolarHBondContact O-N 3.44Å; N133-Y136 PolarHBondContact O-N 3.42Å; N133-Q137 VanDerWaalsContact O-CG 3.29Å; N133-Q137 WeakPolarHBondContact O-CG 3.48Å; N133-Q137 PolarHBondContact O-N 2.94Å |
| 134 | Y | 77.5 | Confident | 78.7 | Confident | 69 Ų | 69 | 55.3 Ų | 55.3 | 27% | 0.271 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.1 | -52 | -175.4 | -173.5 | -111.7 | 0 | 0 | 0 | 112.8 | Y136 Q137 L138 L158 Q161 | Y134-Y136 VanDerWaalsContact C-N 3.25Å; Y134-Y136 PolarHBondContact O-N 2.79Å; Y134-Q137 PolarHBondContact O-N 3.47Å; Y134-Q137 VanDerWaalsContact O-N 3.14Å; Y134-L138 HydrophobicContact CD1-CD1 3.92Å; Y134-L138 HydrophobicContact CD1-CG 4.35Å; Y134-L138 HydrophobicContact CE1-CD1 3.42Å; Y134-L138 VanDerWaalsContact CE1-CD1 3.42Å; Y134-L138 HydrophobicContact CE1-CG 4.01Å; Y134-L138 HydrophobicContact CE2-CD2 4.48Å; Y134-L138 HydrophobicContact CE2-CG 4.48Å; Y134-L138 WeakPolarHBondContact O-CG 3.18Å; Y134-L138 PolarHBondContact O-N 2.88Å; Y134-L158 HydrophobicContact CE2-CD2 3.81Å; Y134-L158 WeakPolarHBondContact OH-CD2 3.49Å; Y134-Q161 PolarHBondContact OH-NE2 2.94Å; Y134-Q161 VanDerWaalsContact OH-NE2 3.13Å; Y134-Q161 PolarHBondContact OH-OE1 3.14Å |
| 135 | R | 79.8 | Confident | 78.5 | Confident | 197 Ų | 197 | 55.8 Ų | 55.8 | 74% | 0.743 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.3 | -35.9 | 178.7 | -167.4 | 178.6 | 178.4 | 93.2 | -1.6 | 112.1 | L138 N139 | R135-L138 PolarHBondContact O-N 3.41Å; R135-N139 WeakPolarHBondContact O-CB 3.14Å; R135-N139 VanDerWaalsContact O-CG 3.3Å; R135-N139 PolarHBondContact O-N 3.36Å |
| 136 | Y | 79.4 | Confident | 78.5 | Confident | 144 Ų | 144 | 57.7 Ų | 57.7 | 57% | 0.565 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.7 | -48 | 174 | 177.2 | -92.9 | 0 | 0 | 0 | 111.8 | N133 Y134 L138 N139 M140 | N133-Y136 PolarHBondContact O-N 3.42Å; Y134-Y136 VanDerWaalsContact C-N 3.25Å; Y134-Y136 PolarHBondContact O-N 2.79Å; Y136-L138 VanDerWaalsContact C-N 3.31Å; Y136-L138 PolarHBondContact O-N 3.49Å; Y136-N139 PolarHBondContact O-N 3.21Å; Y136-M140 HydrophobicContact CE1-CE 4.21Å; Y136-M140 HydrophobicContact CE1-SD 3.87Å; Y136-M140 WeakPolarHBondContact O-CB 3.34Å; Y136-M140 PolarHBondContact O-N 2.94Å |
| 137 | Q | 79.9 | Confident | 78.7 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 176.5 | -73.1 | 174.5 | 32 | 0 | 0 | 111.3 | L127 H128 N133 Y134 M140 L141 | L127-Q137 HydrophobicContact CD2-CB 4Å; L127-Q137 HydrophobicContact CD2-CG 4.26Å; H128-Q137 PolarHBondContact O-NE2 2.85Å; N133-Q137 VanDerWaalsContact O-CG 3.29Å; N133-Q137 WeakPolarHBondContact O-CG 3.48Å; N133-Q137 PolarHBondContact O-N 2.94Å; Y134-Q137 PolarHBondContact O-N 3.47Å; Y134-Q137 VanDerWaalsContact O-N 3.14Å; Q137-M140 PolarHBondContact O-N 3.2Å; Q137-L141 WeakPolarHBondContact O-CG 2.78Å; Q137-L141 PolarHBondContact O-N 3.44Å; Q137-L141 VanDerWaalsContact O-N 3.1Å |
| 138 | L | 81.8 | Confident | 78.9 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 17% | 0.173 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 176.8 | -70.4 | -174.1 | 0 | 0 | 0 | 112.9 | Y134 R135 Y136 M140 L141 R142 L158 I163 | Y134-L138 HydrophobicContact CD1-CD1 3.92Å; Y134-L138 HydrophobicContact CD1-CG 4.35Å; Y134-L138 HydrophobicContact CE1-CD1 3.42Å; Y134-L138 VanDerWaalsContact CE1-CD1 3.42Å; Y134-L138 HydrophobicContact CE1-CG 4.01Å; Y134-L138 HydrophobicContact CE2-CD2 4.48Å; Y134-L138 HydrophobicContact CE2-CG 4.48Å; Y134-L138 WeakPolarHBondContact O-CG 3.18Å; Y134-L138 PolarHBondContact O-N 2.88Å; R135-L138 PolarHBondContact O-N 3.41Å; Y136-L138 VanDerWaalsContact C-N 3.31Å; Y136-L138 PolarHBondContact O-N 3.49Å; L138-M140 VanDerWaalsContact C-N 3.25Å; L138-M140 PolarHBondContact O-N 3.49Å; L138-L141 PolarHBondContact O-N 2.87Å; L138-R142 PolarHBondContact O-N 2.61Å; L138-L158 HydrophobicContact CD2-CD2 3.69Å; L138-I163 HydrophobicContact CD2-CD1 3.46Å; L138-I163 VanDerWaalsContact CD2-CD1 3.46Å; L138-I163 HydrophobicContact CD2-CG2 3.98Å |
| 139 | N | 78.7 | Confident | 79.4 | Confident | 79 Ų | 79 | 56.8 Ų | 56.8 | 42% | 0.422 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -36.4 | 179.6 | -74.9 | -12.2 | 0 | 0 | 0 | 111.9 | R135 Y136 | R135-N139 WeakPolarHBondContact O-CB 3.14Å; R135-N139 VanDerWaalsContact O-CG 3.3Å; R135-N139 PolarHBondContact O-N 3.36Å; Y136-N139 PolarHBondContact O-N 3.21Å |
| 140 | M | 78.4 | Confident | 80.4 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 14% | 0.138 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.3 | -51.2 | 176.4 | -162 | 162.8 | 64.3 | 0 | 0 | 110.1 | A125 I126 Y136 Q137 L138 R142 S143 H145 | A125-M140 HydrophobicContact CB-CE 4Å; I126-M140 HydrophobicContact CG2-CE 3.99Å; Y136-M140 HydrophobicContact CE1-CE 4.21Å; Y136-M140 HydrophobicContact CE1-SD 3.87Å; Y136-M140 WeakPolarHBondContact O-CB 3.34Å; Y136-M140 PolarHBondContact O-N 2.94Å; Q137-M140 PolarHBondContact O-N 3.2Å; L138-M140 VanDerWaalsContact C-N 3.25Å; L138-M140 PolarHBondContact O-N 3.49Å; M140-R142 PolarHBondContact O-N 3.17Å; M140-R142 VanDerWaalsContact O-N 3.1Å; M140-S143 PolarHBondContact O-N 2.74Å; M140-S143 VanDerWaalsContact O-N 3.12Å; M140-S143 PolarHBondContact O-OG 2.94Å; M140-H145 PolarHBondContact O-CE1 3.2Å; M140-H145 PolarHBondContact O-ND1 2.83Å |
| 141 | L | 84 | Confident | 81.5 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.6 | -34.4 | -178.3 | -72.1 | 176.9 | 0 | 0 | 0 | 114.3 | C92 A125 L127 Q137 L138 S143 G144 L148 L158 I163 V164 | C92-L141 HydrophobicContact CB-CB 4.17Å; C92-L141 HydrophobicContact CB-CD2 3.95Å; A125-L141 HydrophobicContact CB-CD2 4.08Å; L127-L141 HydrophobicContact CD2-CD1 4.02Å; L127-L141 HydrophobicContact CD2-CD2 4.47Å; L127-L141 HydrophobicContact CD2-CG 4.38Å; Q137-L141 WeakPolarHBondContact O-CG 2.78Å; Q137-L141 PolarHBondContact O-N 3.44Å; Q137-L141 VanDerWaalsContact O-N 3.1Å; L138-L141 PolarHBondContact O-N 2.87Å; L141-S143 PolarHBondContact O-N 3.07Å; L141-S143 VanDerWaalsContact O-N 3.13Å; L141-G144 PolarHBondContact O-N 3.14Å; L141-L148 HydrophobicContact CD2-CD1 4Å; L141-L158 HydrophobicContact CD1-CD1 4.01Å; L141-I163 HydrophobicContact CD1-CG2 3.77Å; L141-V164 HydrophobicContact CD1-CG2 3.72Å; L141-V164 HydrophobicContact CD2-CG2 4.3Å |
| 142 | R | 77 | Confident | 83.4 | Confident | 156 Ų | 156 | 50.1 Ų | 50.1 | 59% | 0.589 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.3 | -179.7 | -71.4 | 176 | 176 | 178 | -5.5 | 114.7 | L138 M140 G144 | L138-R142 PolarHBondContact O-N 2.61Å; M140-R142 PolarHBondContact O-N 3.17Å; M140-R142 VanDerWaalsContact O-N 3.1Å; R142-G144 PolarHBondContact O-N 2.78Å |
| 143 | S | 75.2 | Confident | 85 | Confident | 67 Ų | 67 | 44.8 Ų | 44.8 | 47% | 0.469 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -9.3 | 178.1 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | R123 M140 L141 H145 | R123-S143 VanDerWaalsContact CZ-O 3.32Å; R123-S143 PolarHBondContact NH1-O 3.04Å; R123-S143 PolarHBondContact NH2-O 3.13Å; M140-S143 PolarHBondContact O-N 2.74Å; M140-S143 VanDerWaalsContact O-N 3.12Å; M140-S143 PolarHBondContact O-OG 2.94Å; L141-S143 PolarHBondContact O-N 3.07Å; L141-S143 VanDerWaalsContact O-N 3.13Å; S143-H145 PolarHBondContact OG-CE1 2.98Å; S143-H145 VanDerWaalsContact OG-CE1 3.22Å |
| 144 | G | 80.3 | Confident | 86.1 | Confident | 22 Ų | 22 | 43.6 Ų | 43.6 | 23% | 0.227 | 20% | 0.204 | C | C | . | . | trans | 78.4 | 137.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R123 L141 R142 | R123-G144 PolarHBondContact NE-O 2.63Å; R123-G144 PolarHBondContact NH1-O 2.82Å; R123-G144 PolarHBondContact NH2-O 3.13Å; L141-G144 PolarHBondContact O-N 3.14Å; R142-G144 PolarHBondContact O-N 2.78Å | ||
| 145 | H | 88.6 | Confident | 86.9 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | trans | -141.1 | 139.8 | -177.3 | -76.2 | 76.3 | 0 | 0 | 0 | 110 | P94 T124 A125 M140 S143 | P94-H145 VanDerWaalsContact CA-O 3.29Å; P94-H145 WeakPolarHBondContact CA-O 3.23Å; T124-H145 PolarHBondContact O-CD2 2.85Å; A125-H145 HydrophobicContact CB-CB 3.95Å; A125-H145 VanDerWaalsContact CB-CD2 3.46Å; A125-H145 WeakPolarHBondContact CB-CD2 2.97Å; A125-H145 PolarHBondContact N-CD2 3.04Å; M140-H145 PolarHBondContact O-CE1 3.2Å; M140-H145 PolarHBondContact O-ND1 2.83Å; S143-H145 PolarHBondContact OG-CE1 2.98Å; S143-H145 VanDerWaalsContact OG-CE1 3.22Å | ||
| 146 | D | 92.9 | Very high | 87.6 | Confident | 41 Ų | 41 | 31 Ų | 31 | 22% | 0.219 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -84.9 | -34.3 | -177.1 | -46.3 | -71.4 | 0 | 0 | 0 | 111.3 | V57 S95 A96 I122 R123 | V57-D146 HydrophobicContact CG1-CB 4.19Å; S95-D146 PolarHBondContact N-O 3.18Å; A96-D146 PolarHBondContact N-O 3.2Å; I122-D146 HydrophobicContact CG2-CB 4.23Å; R123-D146 PolarHBondContact N-OD2 3.04Å; R123-D146 PolarHBondContact O-N 3.07Å |
| 147 | V | 95.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131 | -178.2 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | I53 F54 A96 I122 R123 T124 A125 | I53-V147 HydrophobicContact CG2-CG2 4.47Å; F54-V147 HydrophobicContact CD1-CG2 4.49Å; F54-V147 HydrophobicContact CE1-CG2 3.86Å; F54-V147 HydrophobicContact CZ-CG2 4.41Å; A96-V147 HydrophobicContact CB-CG1 4.37Å; A96-V147 HydrophobicContact CB-CG2 4.22Å; A96-V147 WeakPolarHBondContact O-CA 3.28Å; I122-V147 HydrophobicContact CG2-CG2 3.75Å; R123-V147 PolarHBondContact O-N 2.81Å; R123-V147 VanDerWaalsContact O-N 3.09Å; T124-V147 CarbonylContact C-O 3.43Å; T124-V147 VanDerWaalsContact CA-O 3.26Å; T124-V147 WeakPolarHBondContact CA-O 3.38Å; T124-V147 HydrophobicContact CG2-CB 4.07Å; T124-V147 HydrophobicContact CG2-CG1 4.03Å; A125-V147 PolarHBondContact N-O 3.31Å |
| 148 | L | 96.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124.6 | 175.1 | -165.1 | 63.4 | 0 | 0 | 0 | 110 | P94 A96 L97 V98 A125 L127 L141 L155 V164 | P94-L148 HydrophobicContact CB-CB 4.01Å; P94-L148 HydrophobicContact CG-CB 4.16Å; P94-L148 HydrophobicContact CG-CD2 4.26Å; A96-L148 PolarHBondContact O-N 3.39Å; L97-L148 CarbonylContact C-O 3.48Å; L97-L148 WeakPolarHBondContact CA-O 3.47Å; L97-L148 HydrophobicContact CD1-CB 4.18Å; L97-L148 HydrophobicContact CD1-CD2 4.24Å; L97-L148 HydrophobicContact CD1-CG 4.34Å; V98-L148 PolarHBondContact N-O 3.1Å; A125-L148 HydrophobicContact CB-CD1 3.71Å; L127-L148 HydrophobicContact CD1-CD1 3.62Å; L127-L148 HydrophobicContact CD1-CD2 3.7Å; L127-L148 HydrophobicContact CD1-CG 3.93Å; L127-L148 HydrophobicContact CG-CD1 3.74Å; L127-L148 HydrophobicContact CG-CG 4.37Å; L141-L148 HydrophobicContact CD2-CD1 4Å; L148-L155 HydrophobicContact CD2-CD1 3.67Å; L148-V164 HydrophobicContact CD2-CG1 3.95Å |
| 149 | V | 96 | Very high | 89.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119.6 | 171.2 | -165.9 | 0 | 0 | 0 | 0 | 108 | V98 T106 I109 T124 A125 I126 L127 | V98-V149 HydrophobicContact CB-CG1 4.21Å; V98-V149 HydrophobicContact CB-CG2 4.47Å; V98-V149 HydrophobicContact CG1-CG1 4.39Å; V98-V149 CarbonylContact O-C 3.57Å; V98-V149 WeakPolarHBondContact O-CA 3.43Å; T106-V149 VanDerWaalsContact CG2-C 3.49Å; T106-V149 HydrophobicContact CG2-CB 4.02Å; T106-V149 HydrophobicContact CG2-CG1 3.53Å; T106-V149 VanDerWaalsContact CG2-O 3.29Å; T106-V149 WeakPolarHBondContact CG2-O 2.95Å; T106-V149 WeakPolarHBondContact O-CG1 3.37Å; I109-V149 HydrophobicContact CB-CG1 3.79Å; I109-V149 HydrophobicContact CD1-CG1 4.3Å; I109-V149 HydrophobicContact CG2-CB 4.49Å; I109-V149 HydrophobicContact CG2-CG1 3.65Å; I109-V149 HydrophobicContact CG2-CG2 3.93Å; T124-V149 HydrophobicContact CG2-CG2 3.73Å; A125-V149 PolarHBondContact O-N 3.34Å; I126-V149 CarbonylContact C-O 3.46Å; I126-V149 VanDerWaalsContact CA-O 3.31Å; I126-V149 WeakPolarHBondContact CA-O 3.15Å; L127-V149 PolarHBondContact N-O 2.81Å |
| 150 | A | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 152.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L97 V98 M99 A100 L127 L155 | L97-A150 HydrophobicContact CD1-CB 4.28Å; V98-A150 PolarHBondContact O-N 2.73Å; M99-A150 VanDerWaalsContact CA-O 3.29Å; M99-A150 WeakPolarHBondContact CA-O 3.29Å; A100-A150 PolarHBondContact N-O 2.89Å; L127-A150 HydrophobicContact CB-CB 3.84Å; L127-A150 HydrophobicContact CD1-CB 4.46Å; L127-A150 CarbonylContact O-C 3.53Å; L127-A150 WeakPolarHBondContact O-CA 3.49Å; A150-L155 HydrophobicContact CB-CB 3.97Å; A150-L155 HydrophobicContact CB-CD2 4.13Å |
| 151 | T | 93.4 | Very high | 90.5 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 8% | 0.08 | 17% | 0.165 | C | C | . | . | trans | -83.2 | 139.9 | 158 | 60.8 | 0 | 0 | 0 | 0 | 109.8 | A100 T106 L127 H128 G153 R154 L155 | A100-T151 WeakPolarHBondContact O-CA 3.41Å; T106-T151 WeakPolarHBondContact OG1-CG2 3.2Å; L127-T151 PolarHBondContact O-N 3.38Å; H128-T151 WeakPolarHBondContact CA-OG1 3.47Å; H128-T151 HydrophobicContact CB-CG2 3.89Å; T151-G153 VanDerWaalsContact C-N 3.33Å; T151-G153 PolarHBondContact O-N 2.7Å; T151-R154 PolarHBondContact O-N 2.95Å; T151-L155 PolarHBondContact O-N 3.22Å | ||
| 152 | P | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53.7 | -42.7 | -174.9 | -29.4 | 35 | 0 | 0 | 0 | 114.6 | M99 L155 N156 M180 F185 Q188 I189 I192 | M99-P152 HydrophobicContact SD-CG 4.31Å; P152-L155 PolarHBondContact O-N 3.25Å; P152-N156 PolarHBondContact O-N 3.08Å; P152-M180 HydrophobicContact CG-SD 3.82Å; P152-F185 HydrophobicContact CB-CB 4.36Å; P152-F185 HydrophobicContact CB-CD1 4.28Å; P152-F185 HydrophobicContact CB-CG 4.37Å; P152-F185 HydrophobicContact CG-CB 4.19Å; P152-F185 HydrophobicContact CG-CG 4.21Å; P152-Q188 HydrophobicContact CB-CB 3.93Å; P152-I189 HydrophobicContact CB-CG1 4.41Å; P152-I189 HydrophobicContact CG-CG1 4.13Å; P152-I192 HydrophobicContact CB-CD1 4.11Å |
| 153 | G | 92.3 | Very high | 91.4 | Very high | 17 Ų | 17 | 33.6 Ų | 33.6 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.3 | -55.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | T151 L155 N156 D157 | T151-G153 VanDerWaalsContact C-N 3.33Å; T151-G153 PolarHBondContact O-N 2.7Å; G153-L155 VanDerWaalsContact C-N 3.29Å; G153-L155 PolarHBondContact O-N 2.94Å; G153-N156 PolarHBondContact O-N 3.31Å; G153-D157 PolarHBondContact O-N 2.85Å |
| 154 | R | 91.1 | Very high | 92.2 | Very high | 30 Ų | 30 | 30.5 Ų | 30.5 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.8 | -34.8 | -179.6 | 177.6 | 55.6 | 62.1 | 83.8 | -5.2 | 112.5 | L127 H128 G130 T151 D157 L158 | L127-R154 HydrophobicContact CB-CG 4.03Å; H128-R154 VanDerWaalsContact O-CZ 3.31Å; H128-R154 PolarHBondContact O-NH1 2.81Å; G130-R154 PolarHBondContact O-NH2 3.1Å; T151-R154 PolarHBondContact O-N 2.95Å; R154-D157 PolarHBondContact O-N 2.77Å; R154-L158 HydrophobicContact CG-CD1 4.29Å; R154-L158 PolarHBondContact O-N 3.2Å |
| 155 | L | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.5 | -47.4 | 177.7 | 178.9 | 53.7 | 0 | 0 | 0 | 111.2 | L97 M99 L127 L148 A150 T151 P152 G153 D157 L158 I159 V164 I192 | L97-L155 HydrophobicContact CD1-CD2 3.52Å; L97-L155 HydrophobicContact CD2-CD2 3.55Å; L97-L155 HydrophobicContact CG-CD2 4.19Å; M99-L155 HydrophobicContact CG-CD2 4.41Å; M99-L155 HydrophobicContact SD-CD2 4.22Å; L127-L155 HydrophobicContact CD1-CD1 4.14Å; L148-L155 HydrophobicContact CD2-CD1 3.67Å; A150-L155 HydrophobicContact CB-CB 3.97Å; A150-L155 HydrophobicContact CB-CD2 4.13Å; T151-L155 PolarHBondContact O-N 3.22Å; P152-L155 PolarHBondContact O-N 3.25Å; G153-L155 VanDerWaalsContact C-N 3.29Å; G153-L155 PolarHBondContact O-N 2.94Å; L155-D157 VanDerWaalsContact C-N 3.28Å; L155-D157 PolarHBondContact O-N 2.86Å; L155-L158 PolarHBondContact O-N 2.67Å; L155-L158 VanDerWaalsContact O-N 3.13Å; L155-I159 HydrophobicContact CD1-CD1 3.78Å; L155-I159 HydrophobicContact CD1-CG1 4.01Å; L155-I159 HydrophobicContact CD2-CD1 4.46Å; L155-I159 HydrophobicContact CG-CD1 3.67Å; L155-I159 HydrophobicContact CG-CG1 4.37Å; L155-I159 WeakPolarHBondContact O-CG1 3.33Å; L155-I159 PolarHBondContact O-N 2.8Å; L155-V164 HydrophobicContact CD1-CG1 4.12Å; L155-I192 HydrophobicContact CB-CD1 4.27Å; L155-I192 HydrophobicContact CD2-CD1 4.02Å; L155-I192 HydrophobicContact CD2-CG2 4.3Å; L155-I192 HydrophobicContact CG-CD1 4.19Å |
| 156 | N | 94.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.011 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.7 | -43.1 | 174.9 | -90.2 | -37.7 | 0 | 0 | 0 | 112.4 | P152 G153 L158 I159 R160 Q188 I192 | P152-N156 PolarHBondContact O-N 3.08Å; G153-N156 PolarHBondContact O-N 3.31Å; N156-L158 VanDerWaalsContact C-N 3.28Å; N156-L158 PolarHBondContact O-N 2.8Å; N156-I159 PolarHBondContact O-N 3.46Å; N156-R160 VanDerWaalsContact O-CG 3.31Å; N156-R160 WeakPolarHBondContact O-CG 3.36Å; N156-R160 PolarHBondContact O-N 3.13Å; N156-Q188 WeakPolarHBondContact ND2-CA 3.37Å; N156-Q188 VanDerWaalsContact ND2-CB 3.29Å; N156-Q188 WeakPolarHBondContact ND2-CB 3.49Å; N156-Q188 PolarHBondContact ND2-O 2.93Å; N156-Q188 VanDerWaalsContact ND2-O 3.1Å; N156-I192 WeakPolarHBondContact OD1-CG1 3.44Å |
| 157 | D | 92 | Very high | 93.4 | Very high | 70 Ų | 70 | 34.3 Ų | 34.3 | 37% | 0.374 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.7 | -40.5 | 178.4 | -62.9 | -20.5 | 0 | 0 | 0 | 112.3 | G153 R154 L155 Q161 | G153-D157 PolarHBondContact O-N 2.85Å; R154-D157 PolarHBondContact O-N 2.77Å; L155-D157 VanDerWaalsContact C-N 3.28Å; L155-D157 PolarHBondContact O-N 2.86Å; D157-Q161 VanDerWaalsContact O-CG 3.31Å; D157-Q161 WeakPolarHBondContact O-CG 3.46Å; D157-Q161 PolarHBondContact O-N 2.83Å; D157-Q161 PolarHBondContact O-NE2 3.34Å |
| 158 | L | 91.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -82 | -27.5 | -177.4 | -68 | 177.9 | 0 | 0 | 0 | 113.2 | L127 Y134 L138 L141 R154 L155 N156 N162 I163 V164 | L127-L158 HydrophobicContact CD1-CD1 3.73Å; L127-L158 HydrophobicContact CD2-CD1 3.51Å; L127-L158 HydrophobicContact CG-CD1 4.15Å; Y134-L158 HydrophobicContact CE2-CD2 3.81Å; Y134-L158 WeakPolarHBondContact OH-CD2 3.49Å; L138-L158 HydrophobicContact CD2-CD2 3.69Å; L141-L158 HydrophobicContact CD1-CD1 4.01Å; R154-L158 HydrophobicContact CG-CD1 4.29Å; R154-L158 PolarHBondContact O-N 3.2Å; L155-L158 PolarHBondContact O-N 2.67Å; L155-L158 VanDerWaalsContact O-N 3.13Å; N156-L158 VanDerWaalsContact C-N 3.28Å; N156-L158 PolarHBondContact O-N 2.8Å; L158-N162 PolarHBondContact O-N 2.81Å; L158-I163 HydrophobicContact CD2-CB 4.47Å; L158-I163 HydrophobicContact CD2-CD1 3.91Å; L158-I163 WeakPolarHBondContact O-CB 3.22Å; L158-I163 PolarHBondContact O-N 2.91Å; L158-V164 HydrophobicContact CB-CG2 4.14Å; L158-V164 PolarHBondContact O-N 3.19Å |
| 159 | I | 94.1 | Very high | 93.3 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -47.2 | 169.6 | -70.2 | 165.9 | 0 | 0 | 0 | 110 | L155 N156 Q161 N162 V164 L166 I192 | L155-I159 HydrophobicContact CD1-CD1 3.78Å; L155-I159 HydrophobicContact CD1-CG1 4.01Å; L155-I159 HydrophobicContact CD2-CD1 4.46Å; L155-I159 HydrophobicContact CG-CD1 3.67Å; L155-I159 HydrophobicContact CG-CG1 4.37Å; L155-I159 WeakPolarHBondContact O-CG1 3.33Å; L155-I159 PolarHBondContact O-N 2.8Å; N156-I159 PolarHBondContact O-N 3.46Å; I159-Q161 PolarHBondContact O-N 3.39Å; I159-N162 WeakPolarHBondContact O-CA 3.37Å; I159-N162 PolarHBondContact O-N 3.41Å; I159-V164 HydrophobicContact CG1-CB 4.25Å; I159-V164 HydrophobicContact CG1-CG1 4.43Å; I159-L166 HydrophobicContact CD1-CD1 3.76Å; I159-L166 HydrophobicContact CD1-CG 4.13Å; I159-I192 HydrophobicContact CD1-CG1 4.41Å |
| 160 | R | 92.5 | Very high | 93.3 | Very high | 147 Ų | 147 | 44.3 Ų | 44.3 | 56% | 0.555 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -61.9 | -29.4 | 178.6 | -70.7 | 175.5 | -164.5 | 159.3 | -0.2 | 113 | N156 N162 | N156-R160 VanDerWaalsContact O-CG 3.31Å; N156-R160 WeakPolarHBondContact O-CG 3.36Å; N156-R160 PolarHBondContact O-N 3.13Å; R160-N162 PolarHBondContact O-N 3.28Å |
| 161 | Q | 89.7 | Confident | 93.5 | Very high | 98 Ų | 98 | 44.9 Ų | 44.9 | 46% | 0.458 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 4.5 | 174 | -70.6 | 172.6 | 63.5 | 0 | 0 | 113.2 | Y134 D157 I159 I163 | Y134-Q161 PolarHBondContact OH-NE2 2.94Å; Y134-Q161 VanDerWaalsContact OH-NE2 3.13Å; Y134-Q161 PolarHBondContact OH-OE1 3.14Å; D157-Q161 VanDerWaalsContact O-CG 3.31Å; D157-Q161 WeakPolarHBondContact O-CG 3.46Å; D157-Q161 PolarHBondContact O-N 2.83Å; D157-Q161 PolarHBondContact O-NE2 3.34Å; I159-Q161 PolarHBondContact O-N 3.39Å; Q161-I163 HydrophobicContact CB-CD1 3.77Å; Q161-I163 HydrophobicContact CB-CG1 3.79Å; Q161-I163 WeakPolarHBondContact O-CG1 3.46Å; Q161-I163 PolarHBondContact O-N 3.35Å |
| 162 | N | 89.4 | Confident | 93.7 | Very high | 121 Ų | 121 | 44.3 Ų | 44.3 | 65% | 0.647 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 24.5 | -175 | -66.3 | -40.6 | 0 | 0 | 0 | 114.3 | Q91 L158 I159 R160 | Q91-N162 PolarHBondContact NE2-O 2.89Å; L158-N162 PolarHBondContact O-N 2.81Å; I159-N162 WeakPolarHBondContact O-CA 3.37Å; I159-N162 PolarHBondContact O-N 3.41Å; R160-N162 PolarHBondContact O-N 3.28Å |
| 163 | I | 89.7 | Confident | 93.8 | Very high | 39 Ų | 39 | 44.3 Ų | 44.3 | 20% | 0.2 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -86.2 | -29.7 | 179.8 | -57.1 | -179.6 | 0 | 0 | 0 | 110.7 | C92 L138 L141 L158 Q161 | C92-I163 PolarHBondContact N-O 2.9Å; L138-I163 HydrophobicContact CD2-CD1 3.46Å; L138-I163 VanDerWaalsContact CD2-CD1 3.46Å; L138-I163 HydrophobicContact CD2-CG2 3.98Å; L141-I163 HydrophobicContact CD1-CG2 3.77Å; L158-I163 HydrophobicContact CD2-CB 4.47Å; L158-I163 HydrophobicContact CD2-CD1 3.91Å; L158-I163 WeakPolarHBondContact O-CB 3.22Å; L158-I163 PolarHBondContact O-N 2.91Å; Q161-I163 HydrophobicContact CB-CD1 3.77Å; Q161-I163 HydrophobicContact CB-CG1 3.79Å; Q161-I163 WeakPolarHBondContact O-CG1 3.46Å; Q161-I163 PolarHBondContact O-N 3.35Å |
| 164 | V | 93 | Very high | 93.9 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -124.2 | 135.5 | 176.9 | 179 | 0 | 0 | 0 | 0 | 109.2 | C92 P94 L127 L141 L148 L155 L158 I159 L166 | C92-V164 HydrophobicContact CB-CG2 4.47Å; C92-V164 WeakPolarHBondContact O-CA 3.45Å; P94-V164 HydrophobicContact CG-CG1 4.49Å; L127-V164 HydrophobicContact CD1-CG2 4.4Å; L141-V164 HydrophobicContact CD1-CG2 3.72Å; L141-V164 HydrophobicContact CD2-CG2 4.3Å; L148-V164 HydrophobicContact CD2-CG1 3.95Å; L155-V164 HydrophobicContact CD1-CG1 4.12Å; L158-V164 HydrophobicContact CB-CG2 4.14Å; L158-V164 PolarHBondContact O-N 3.19Å; I159-V164 HydrophobicContact CG1-CB 4.25Å; I159-V164 HydrophobicContact CG1-CG1 4.43Å; V164-L166 HydrophobicContact CG1-CD2 3.93Å |
| 165 | S | 94.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | trans | -126.2 | 127.9 | 171.9 | 164.7 | 0 | 0 | 0 | 0 | 110.6 | C92 H93 P94 K167 | C92-S165 PolarHBondContact O-N 2.88Å; H93-S165 PolarHBondContact ND1-OG 3.4Å; P94-S165 WeakPolarHBondContact CD-O 3.32Å; S165-K167 VanDerWaalsContact C-N 3.31Å; S165-K167 WeakPolarHBondContact OG-CG 3.29Å | ||
| 166 | L | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -92.2 | 9 | -176.6 | -56.5 | -178.2 | 0 | 0 | 0 | 113.1 | P94 L97 I159 V164 Q168 C169 I192 L198 P199 | P94-L166 HydrophobicContact CG-CD2 3.95Å; L97-L166 HydrophobicContact CD2-CD1 3.98Å; L97-L166 HydrophobicContact CD2-CD2 4.32Å; I159-L166 HydrophobicContact CD1-CD1 3.76Å; I159-L166 HydrophobicContact CD1-CG 4.13Å; V164-L166 HydrophobicContact CG1-CD2 3.93Å; L166-Q168 PolarHBondContact O-N 3.28Å; L166-Q168 VanDerWaalsContact O-N 3.07Å; L166-C169 HydrophobicContact CB-CB 4.15Å; L166-C169 HydrophobicContact CD2-CB 4.44Å; L166-C169 VanDerWaalsContact O-CB 3.24Å; L166-C169 WeakPolarHBondContact O-CB 3.42Å; L166-C169 PolarHBondContact O-N 2.89Å; L166-I192 HydrophobicContact CD1-CG2 3.61Å; L166-L198 HydrophobicContact CB-CD2 3.98Å; L166-L198 HydrophobicContact CB-CG 3.78Å; L166-L198 HydrophobicContact CD1-CD1 3.95Å; L166-L198 HydrophobicContact CD1-CD2 4.42Å; L166-L198 HydrophobicContact CD1-CG 3.87Å; L166-L198 HydrophobicContact CG-CG 4.49Å; L166-P199 WeakPolarHBondContact O-CD 3.24Å | ||
| 167 | K | 95.3 | Very high | 92.9 | Very high | 150 Ų | 150 | 43.7 Ų | 43.7 | 65% | 0.652 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.1 | -178.3 | -68.1 | -179 | -178.9 | 179.1 | 0 | 114.6 | S165 G197 | S165-K167 VanDerWaalsContact C-N 3.31Å; S165-K167 WeakPolarHBondContact OG-CG 3.29Å; K167-G197 WeakPolarHBondContact CA-O 3.38Å; K167-G197 PolarHBondContact N-O 2.81Å |
| 168 | Q | 93.7 | Very high | 92.1 | Very high | 110 Ų | 110 | 40.8 Ų | 40.8 | 51% | 0.514 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 2.7 | 178.7 | -63.5 | -177.4 | -14.4 | 0 | 0 | 112.9 | H93 P94 L166 R170 | H93-Q168 HydrophobicContact CB-CB 4.38Å; H93-Q168 HydrophobicContact CB-CG 4.35Å; P94-Q168 CarbonylContact O-C 3.58Å; L166-Q168 PolarHBondContact O-N 3.28Å; L166-Q168 VanDerWaalsContact O-N 3.07Å; Q168-R170 PolarHBondContact O-N 2.83Å |
| 169 | C | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -80.5 | 92.8 | -173.3 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | P94 S95 L97 L166 Y171 L198 P199 | P94-C169 WeakPolarHBondContact O-CA 3.41Å; P94-C169 WeakPolarHBondContact O-CB 3.4Å; P94-C169 PolarHBondContact O-N 2.93Å; S95-C169 CarbonylContact O-C 3.53Å; S95-C169 WeakPolarHBondContact O-CA 3.18Å; L97-C169 WeakPolarHBondContact CB-SG 3.4Å; L97-C169 PolarHBondContact N-SG 3.01Å; L166-C169 HydrophobicContact CB-CB 4.15Å; L166-C169 HydrophobicContact CD2-CB 4.44Å; L166-C169 VanDerWaalsContact O-CB 3.24Å; L166-C169 WeakPolarHBondContact O-CB 3.42Å; L166-C169 PolarHBondContact O-N 2.89Å; C169-Y171 PolarHBondContact SG-O 2.92Å; C169-L198 HydrophobicContact CB-CD2 3.63Å; C169-P199 VanDerWaalsContact O-CD 3.24Å; C169-P199 WeakPolarHBondContact O-CD 3.18Å | ||
| 170 | R | 97.1 | Very high | 90.8 | Very high | 101 Ų | 101 | 40.8 Ų | 40.8 | 38% | 0.381 | 18% | 0.183 | S | C | . | . | trans | -85.1 | -12.7 | -179.2 | -68 | -170.9 | -73.9 | -131.8 | -2.6 | 114.2 | S95 Q168 R204 Q205 | S95-R170 PolarHBondContact O-N 2.83Å; Q168-R170 PolarHBondContact O-N 2.83Å; R170-R204 CarbonylContact O-C 3.51Å; R170-R204 VanDerWaalsContact O-CA 3.23Å; R170-R204 WeakPolarHBondContact O-CA 3.49Å; R170-R204 WeakPolarHBondContact O-CB 3.18Å; R170-Q205 PolarHBondContact O-N 3.07Å | ||
| 171 | Y | 98.1 | Very high | 90.2 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 119.3 | -180 | -49.5 | -79.9 | 0 | 0 | 0 | 110.6 | I53 H56 V57 S95 A96 L97 C169 Q205 | I53-Y171 HydrophobicContact CG1-CG 4.33Å; H56-Y171 HydrophobicContact CB-CE1 3.79Å; H56-Y171 HydrophobicContact CB-CE2 4.22Å; H56-Y171 VanDerWaalsContact CB-CZ 3.49Å; H56-Y171 VanDerWaalsContact CB-OH 3.27Å; H56-Y171 WeakPolarHBondContact CB-OH 3.45Å; H56-Y171 AromaticContact CD2-CE1 3.85Å; V57-Y171 HydrophobicContact CG2-CD2 4.37Å; V57-Y171 HydrophobicContact CG2-CE2 4.24Å; S95-Y171 WeakPolarHBondContact O-CD2 3.34Å; S95-Y171 PolarHBondContact O-N 3.08Å; S95-Y171 VanDerWaalsContact O-N 3.15Å; A96-Y171 CarbonylContact C-O 3.47Å; A96-Y171 VanDerWaalsContact CA-O 3.29Å; A96-Y171 WeakPolarHBondContact CA-O 3.41Å; A96-Y171 HydrophobicContact CB-CD2 4.21Å; A96-Y171 HydrophobicContact CB-CG 4.48Å; L97-Y171 PolarHBondContact N-O 3.04Å; C169-Y171 PolarHBondContact SG-O 2.92Å; Y171-Q205 WeakPolarHBondContact CA-O 3.33Å; Y171-Q205 HydrophobicContact CD1-CB 4.09Å |
| 172 | L | 97.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 129 | 179.4 | 179.3 | 62.3 | 0 | 0 | 0 | 110.2 | L97 M99 L174 I193 L198 Q205 T206 S207 | L97-L172 HydrophobicContact CB-CD1 4.21Å; L97-L172 HydrophobicContact CD2-CD1 3.85Å; L97-L172 HydrophobicContact CG-CD1 4.01Å; L97-L172 CarbonylContact O-C 3.52Å; L97-L172 WeakPolarHBondContact O-CA 3.26Å; M99-L172 HydrophobicContact CE-CD1 3.94Å; L172-L174 HydrophobicContact CD1-CD2 4.36Å; L172-L174 HydrophobicContact CG-CD2 4.5Å; L172-I193 HydrophobicContact CD2-CD1 3.82Å; L172-I193 HydrophobicContact CD2-CG1 3.88Å; L172-L198 HydrophobicContact CD2-CD1 4.43Å; L172-Q205 PolarHBondContact N-O 2.83Å; L172-T206 HydrophobicContact CB-CG2 4.36Å; L172-T206 HydrophobicContact CD2-CG2 4.06Å; L172-T206 HydrophobicContact CG-CG2 4.26Å; L172-T206 CarbonylContact O-C 3.6Å; L172-T206 WeakPolarHBondContact O-CA 3.38Å; L172-S207 PolarHBondContact O-N 2.81Å |
| 173 | V | 96.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 129.8 | 173.7 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | F49 I53 L97 V98 M99 S207 F209 | F49-V173 HydrophobicContact CB-CG1 4.21Å; F49-V173 HydrophobicContact CB-CG2 4.05Å; F49-V173 HydrophobicContact CD1-CG1 3.94Å; F49-V173 HydrophobicContact CD2-CB 4.42Å; F49-V173 HydrophobicContact CD2-CG1 3.94Å; F49-V173 HydrophobicContact CD2-CG2 3.97Å; F49-V173 HydrophobicContact CE1-CG1 4.22Å; F49-V173 HydrophobicContact CE2-CG1 4.25Å; F49-V173 HydrophobicContact CG-CG1 3.78Å; F49-V173 HydrophobicContact CG-CG2 4.17Å; F49-V173 HydrophobicContact CZ-CG1 4.37Å; I53-V173 HydrophobicContact CD1-CG2 3.46Å; I53-V173 VanDerWaalsContact CD1-CG2 3.46Å; L97-V173 PolarHBondContact O-N 3.48Å; V98-V173 HydrophobicContact CB-CB 4.25Å; V98-V173 HydrophobicContact CG1-CB 4.02Å; V98-V173 HydrophobicContact CG1-CG1 4.15Å; V98-V173 HydrophobicContact CG2-CB 4.03Å; V98-V173 HydrophobicContact CG2-CG2 4.01Å; M99-V173 PolarHBondContact N-O 3.38Å; V173-S207 CarbonylContact C-O 3.52Å; V173-S207 WeakPolarHBondContact CA-O 3.34Å; V173-S207 WeakPolarHBondContact CG2-OG 3.27Å; V173-F209 HydrophobicContact CG1-CD2 3.99Å; V173-F209 HydrophobicContact CG1-CE2 4.1Å |
| 174 | L | 93.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 99.8 | 166.9 | -53.2 | -175.7 | 0 | 0 | 0 | 108 | M99 L172 A177 M180 I189 I193 S207 M208 F209 | M99-L174 HydrophobicContact CB-CD2 4.05Å; M99-L174 HydrophobicContact CE-CD2 3.22Å; L172-L174 HydrophobicContact CD1-CD2 4.36Å; L172-L174 HydrophobicContact CG-CD2 4.5Å; L174-A177 HydrophobicContact CB-CB 4.06Å; L174-M180 HydrophobicContact CB-CE 3.7Å; L174-M180 HydrophobicContact CD2-CE 4.12Å; L174-M180 HydrophobicContact CG-CE 4.42Å; L174-I189 HydrophobicContact CD1-CG2 4.44Å; L174-I193 HydrophobicContact CD1-CD1 4.5Å; L174-S207 PolarHBondContact N-O 3.04Å; L174-M208 HydrophobicContact CB-CG 4.04Å; L174-M208 HydrophobicContact CD1-CE 4.38Å; L174-M208 HydrophobicContact CD1-CG 3.91Å; L174-M208 HydrophobicContact CD1-SD 4.12Å; L174-M208 HydrophobicContact CG-CG 4.21Å; L174-F209 PolarHBondContact O-N 3.19Å |
| 175 | D | 91.5 | Very high | 87.7 | Confident | 11 Ų | 11 | 32.2 Ų | 32.2 | 6% | 0.059 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 137.3 | 177.7 | -163.5 | 19.2 | 0 | 0 | 0 | 110.5 | F49 M99 P101 I109 A177 | F49-D175 HydrophobicContact CE1-CB 4.48Å; M99-D175 PolarHBondContact O-N 3.02Å; P101-D175 WeakPolarHBondContact CD-O 3.42Å; I109-D175 HydrophobicContact CD1-CB 4.32Å; D175-A177 PolarHBondContact O-N 3.41Å |
| 176 | E | 84.9 | Confident | 87.3 | Confident | 25 Ų | 25 | 34.4 Ų | 34.4 | 12% | 0.117 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 55.5 | -167 | -62.8 | -170.1 | 178.2 | 0 | 0 | 112.1 | P101 L105 D178 R179 M180 F209 G363 | P101-E176 HydrophobicContact CG-CB 3.79Å; L105-E176 HydrophobicContact CD2-CB 4.14Å; L105-E176 VanDerWaalsContact CD2-CD 3.47Å; L105-E176 HydrophobicContact CD2-CG 3.68Å; E176-D178 VanDerWaalsContact C-OD1 3.22Å; E176-D178 PolarHBondContact O-N 2.91Å; E176-R179 HydrophobicContact CB-CB 3.88Å; E176-R179 VanDerWaalsContact O-CB 3.3Å; E176-R179 WeakPolarHBondContact O-CB 3.49Å; E176-R179 PolarHBondContact O-N 3.43Å; E176-R179 VanDerWaalsContact O-N 3.09Å; E176-M180 PolarHBondContact O-N 2.85Å; E176-F209 WeakPolarHBondContact CA-O 3.45Å; E176-F209 PolarHBondContact N-O 3.39Å; E176-G363 WeakPolarHBondContact OE1-CA 3.49Å; E176-G363 PolarHBondContact OE1-N 3.15Å; E176-G363 VanDerWaalsContact OE1-N 3.13Å |
| 177 | A | 83.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.5 | -38.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L174 D175 R179 M180 L181 M208 F209 | L174-A177 HydrophobicContact CB-CB 4.06Å; D175-A177 PolarHBondContact O-N 3.41Å; A177-R179 PolarHBondContact O-N 2.86Å; A177-M180 HydrophobicContact CB-CE 4.35Å; A177-M180 PolarHBondContact O-N 3.21Å; A177-L181 WeakPolarHBondContact O-CG 3.31Å; A177-L181 PolarHBondContact O-N 2.86Å; A177-M208 HydrophobicContact CB-CE 3.58Å; A177-F209 PolarHBondContact N-O 3.19Å |
| 178 | D | 75.3 | Confident | 86.7 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -49 | -48.8 | 168.3 | 46.6 | -1.5 | 0 | 0 | 0 | 111.6 | E176 M180 L181 D182 S210 A211 T212 H226 | E176-D178 VanDerWaalsContact C-OD1 3.22Å; E176-D178 PolarHBondContact O-N 2.91Å; D178-M180 PolarHBondContact O-N 3.35Å; D178-L181 WeakPolarHBondContact O-CB 3.35Å; D178-L181 PolarHBondContact O-N 3.38Å; D178-D182 PolarHBondContact O-N 3.19Å; D178-S210 WeakPolarHBondContact CB-OG 3.25Å; D178-S210 PolarHBondContact OD2-OG 2.86Å; D178-S210 VanDerWaalsContact OD2-OG 3.04Å; D178-A211 PolarHBondContact OD2-N 3.49Å; D178-T212 PolarHBondContact OD2-N 2.89Å; D178-T212 VanDerWaalsContact OD2-N 3.13Å; D178-T212 PolarHBondContact OD2-OG1 2.9Å; D178-H226 WeakPolarHBondContact CA-NE2 3.31Å; D178-H226 WeakPolarHBondContact CB-NE2 2.97Å |
| 179 | R | 74 | Confident | 86.6 | Confident | 21 Ų | 21 | 28.2 Ų | 28.2 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | -177.9 | -171.1 | 69.7 | -150.5 | 142.4 | 8.5 | 112.1 | P101 E176 A177 L181 D182 M183 N358 | P101-R179 HydrophobicContact CB-CB 4.25Å; P101-R179 HydrophobicContact CB-CG 3.87Å; P101-R179 HydrophobicContact CG-CB 4.01Å; P101-R179 HydrophobicContact CG-CG 3.84Å; E176-R179 HydrophobicContact CB-CB 3.88Å; E176-R179 VanDerWaalsContact O-CB 3.3Å; E176-R179 WeakPolarHBondContact O-CB 3.49Å; E176-R179 PolarHBondContact O-N 3.43Å; E176-R179 VanDerWaalsContact O-N 3.09Å; A177-R179 PolarHBondContact O-N 2.86Å; R179-L181 VanDerWaalsContact C-N 3.31Å; R179-D182 IonicContact NH1-OD2 3.84Å; R179-D182 PolarHBondContact NH1-OD2 3.13Å; R179-D182 PolarHBondContact O-N 3.43Å; R179-M183 HydrophobicContact CG-SD 4.09Å; R179-M183 WeakPolarHBondContact O-CB 3.44Å; R179-M183 VanDerWaalsContact O-CG 3.22Å; R179-M183 WeakPolarHBondContact O-CG 3.36Å; R179-M183 PolarHBondContact O-N 3.26Å; R179-N358 PolarHBondContact NH2-ND2 3.37Å |
| 180 | M | 82.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 175.2 | -70.3 | -167.3 | -74.8 | 0 | 0 | 111.2 | M99 P101 P152 L174 E176 A177 D178 M183 G184 F185 I189 | M99-M180 HydrophobicContact CB-CE 4.41Å; M99-M180 HydrophobicContact CB-SD 4.16Å; P101-M180 HydrophobicContact CB-CG 3.66Å; P101-M180 HydrophobicContact CG-CG 4.2Å; P152-M180 HydrophobicContact CG-SD 3.82Å; L174-M180 HydrophobicContact CB-CE 3.7Å; L174-M180 HydrophobicContact CD2-CE 4.12Å; L174-M180 HydrophobicContact CG-CE 4.42Å; E176-M180 PolarHBondContact O-N 2.85Å; A177-M180 HydrophobicContact CB-CE 4.35Å; A177-M180 PolarHBondContact O-N 3.21Å; D178-M180 PolarHBondContact O-N 3.35Å; M180-M183 PolarHBondContact O-N 2.99Å; M180-G184 PolarHBondContact O-N 3.05Å; M180-F185 HydrophobicContact CB-CB 4.22Å; M180-F185 HydrophobicContact CB-CD2 4.36Å; M180-F185 HydrophobicContact CG-CD2 4.47Å; M180-F185 VanDerWaalsContact O-CB 3.32Å; M180-F185 WeakPolarHBondContact O-CB 3.46Å; M180-F185 PolarHBondContact O-N 2.93Å; M180-I189 HydrophobicContact CB-CD1 3.7Å; M180-I189 HydrophobicContact CE-CD1 4.08Å; M180-I189 HydrophobicContact CG-CD1 4.4Å; M180-I189 HydrophobicContact SD-CD1 3.92Å |
| 181 | L | 80.5 | Confident | 86.2 | Confident | 22 Ų | 22 | 28.6 Ų | 28.6 | 12% | 0.115 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62 | -49.8 | 175.1 | -68.4 | 176.5 | 0 | 0 | 0 | 111.9 | A177 D178 R179 M183 G184 E186 V225 L229 | A177-L181 WeakPolarHBondContact O-CG 3.31Å; A177-L181 PolarHBondContact O-N 2.86Å; D178-L181 WeakPolarHBondContact O-CB 3.35Å; D178-L181 PolarHBondContact O-N 3.38Å; R179-L181 VanDerWaalsContact C-N 3.31Å; L181-M183 PolarHBondContact O-N 3.3Å; L181-M183 VanDerWaalsContact O-N 3.14Å; L181-G184 WeakPolarHBondContact O-CA 3.41Å; L181-G184 PolarHBondContact O-N 3.33Å; L181-E186 HydrophobicContact CD2-CB 3.54Å; L181-E186 HydrophobicContact CD2-CG 3.62Å; L181-V225 HydrophobicContact CD1-CB 3.96Å; L181-V225 HydrophobicContact CD1-CG1 3.55Å; L181-V225 HydrophobicContact CD2-CG1 3.54Å; L181-V225 HydrophobicContact CG-CG1 4.1Å; L181-L229 HydrophobicContact CD1-CD1 3.81Å; L181-L229 HydrophobicContact CD1-CG 4.46Å; L181-L229 HydrophobicContact CD2-CD1 3.67Å; L181-L229 HydrophobicContact CD2-CG 4.27Å; L181-L229 HydrophobicContact CG-CD1 3.92Å |
| 182 | D | 72.5 | Confident | 86 | Confident | 84 Ų | 84 | 28.1 Ų | 28.1 | 45% | 0.449 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -55.1 | -34.2 | 177.1 | -81.5 | -9.7 | 0 | 0 | 0 | 113 | D178 R179 G184 R345 | D178-D182 PolarHBondContact O-N 3.19Å; R179-D182 IonicContact NH1-OD2 3.84Å; R179-D182 PolarHBondContact NH1-OD2 3.13Å; R179-D182 PolarHBondContact O-N 3.43Å; D182-G184 PolarHBondContact O-N 3.24Å; D182-R345 PolarHBondContact O-NH2 3.35Å |
| 183 | M | 72.3 | Confident | 85.9 | Confident | 52 Ų | 52 | 28.4 Ų | 28.4 | 26% | 0.256 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -1.5 | 179.3 | -71.5 | -179.6 | 65.3 | 0 | 0 | 113.1 | P101 R179 M180 L181 F185 | P101-M183 HydrophobicContact CB-SD 3.93Å; R179-M183 HydrophobicContact CG-SD 4.09Å; R179-M183 WeakPolarHBondContact O-CB 3.44Å; R179-M183 VanDerWaalsContact O-CG 3.22Å; R179-M183 WeakPolarHBondContact O-CG 3.36Å; R179-M183 PolarHBondContact O-N 3.26Å; M180-M183 PolarHBondContact O-N 2.99Å; L181-M183 PolarHBondContact O-N 3.3Å; L181-M183 VanDerWaalsContact O-N 3.14Å; M183-F185 HydrophobicContact CB-CD2 3.83Å; M183-F185 HydrophobicContact CB-CE2 3.93Å; M183-F185 HydrophobicContact CE-CE2 3.77Å; M183-F185 HydrophobicContact CE-CZ 4.31Å; M183-F185 HydrophobicContact SD-CE2 4.3Å |
| 184 | G | 79.7 | Confident | 85.6 | Confident | 42 Ų | 42 | 32.9 Ų | 32.9 | 43% | 0.433 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 23.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M180 L181 D182 E186 P187 Q188 | M180-G184 PolarHBondContact O-N 3.05Å; L181-G184 WeakPolarHBondContact O-CA 3.41Å; L181-G184 PolarHBondContact O-N 3.33Å; D182-G184 PolarHBondContact O-N 3.24Å; G184-E186 PolarHBondContact O-N 3Å; G184-P187 WeakPolarHBondContact O-CD 3.47Å; G184-Q188 PolarHBondContact O-OE1 3.5Å; G184-Q188 VanDerWaalsContact O-OE1 3.12Å |
| 185 | F | 85.3 | Confident | 85.4 | Confident | 28 Ų | 28 | 39.7 Ų | 39.7 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | trans | -80.8 | -1 | 174.5 | -69.5 | -54 | 0 | 0 | 0 | 113.6 | P101 P152 M180 M183 Q188 I189 | P101-F185 WeakPolarHBondContact O-CE2 3.24Å; P152-F185 HydrophobicContact CB-CB 4.36Å; P152-F185 HydrophobicContact CB-CD1 4.28Å; P152-F185 HydrophobicContact CB-CG 4.37Å; P152-F185 HydrophobicContact CG-CB 4.19Å; P152-F185 HydrophobicContact CG-CG 4.21Å; M180-F185 HydrophobicContact CB-CB 4.22Å; M180-F185 HydrophobicContact CB-CD2 4.36Å; M180-F185 HydrophobicContact CG-CD2 4.47Å; M180-F185 VanDerWaalsContact O-CB 3.32Å; M180-F185 WeakPolarHBondContact O-CB 3.46Å; M180-F185 PolarHBondContact O-N 2.93Å; M183-F185 HydrophobicContact CB-CD2 3.83Å; M183-F185 HydrophobicContact CB-CE2 3.93Å; M183-F185 HydrophobicContact CE-CE2 3.77Å; M183-F185 HydrophobicContact CE-CZ 4.31Å; M183-F185 HydrophobicContact SD-CE2 4.3Å; F185-Q188 VanDerWaalsContact CA-OE1 3.27Å; F185-Q188 WeakPolarHBondContact O-CB 3.26Å; F185-Q188 PolarHBondContact O-N 3.09Å; F185-Q188 VanDerWaalsContact O-N 3.1Å; F185-Q188 PolarHBondContact O-OE1 3.21Å; F185-I189 HydrophobicContact CB-CD1 4.31Å; F185-I189 WeakPolarHBondContact O-CG1 3.31Å; F185-I189 PolarHBondContact O-N 2.83Å | ||
| 186 | E | 85.4 | Confident | 85.3 | Confident | 54 Ų | 54 | 40 Ų | 40 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -51.5 | -50.2 | 179.1 | -168.8 | -171.3 | 162.5 | 0 | 0 | 112.6 | L181 G184 Q188 I189 R190 V225 | L181-E186 HydrophobicContact CD2-CB 3.54Å; L181-E186 HydrophobicContact CD2-CG 3.62Å; G184-E186 PolarHBondContact O-N 3Å; E186-Q188 VanDerWaalsContact C-N 3.27Å; E186-Q188 PolarHBondContact O-N 3.21Å; E186-I189 PolarHBondContact O-N 3.07Å; E186-R190 HydrophobicContact CG-CG 4.33Å; E186-R190 VanDerWaalsContact O-CG 3.31Å; E186-R190 WeakPolarHBondContact O-CG 2.94Å; E186-R190 PolarHBondContact O-N 3.38Å; E186-R190 IonicContact OE1-CZ 3.97Å; E186-R190 IonicContact OE1-NE 2.74Å; E186-R190 PolarHBondContact OE1-NE 3.45Å; E186-R190 IonicContact OE1-NH2 3.17Å; E186-R190 PolarHBondContact OE1-NH2 3.45Å; E186-V225 HydrophobicContact CG-CG1 4.45Å; E186-V225 WeakPolarHBondContact OE2-CG1 3.1Å |
| 187 | P | 87.1 | Confident | 85.6 | Confident | 83 Ų | 83 | 40.7 Ų | 40.7 | 54% | 0.539 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60 | -38.7 | 179.4 | -22.6 | 35.2 | 0 | 0 | 0 | 112.6 | G184 R190 Q191 | G184-P187 WeakPolarHBondContact O-CD 3.47Å; P187-R190 PolarHBondContact O-N 3.49Å; P187-Q191 WeakPolarHBondContact O-CB 3.29Å; P187-Q191 PolarHBondContact O-N 2.59Å |
| 188 | Q | 91.3 | Very high | 86.1 | Confident | 46 Ų | 46 | 41.5 Ų | 41.5 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.1 | -41.3 | 178.5 | -69.1 | 84.6 | -10.4 | 0 | 0 | 111.6 | P152 N156 G184 F185 E186 Q191 I192 | P152-Q188 HydrophobicContact CB-CB 3.93Å; N156-Q188 WeakPolarHBondContact ND2-CA 3.37Å; N156-Q188 VanDerWaalsContact ND2-CB 3.29Å; N156-Q188 WeakPolarHBondContact ND2-CB 3.49Å; N156-Q188 PolarHBondContact ND2-O 2.93Å; N156-Q188 VanDerWaalsContact ND2-O 3.1Å; G184-Q188 PolarHBondContact O-OE1 3.5Å; G184-Q188 VanDerWaalsContact O-OE1 3.12Å; F185-Q188 VanDerWaalsContact CA-OE1 3.27Å; F185-Q188 WeakPolarHBondContact O-CB 3.26Å; F185-Q188 PolarHBondContact O-N 3.09Å; F185-Q188 VanDerWaalsContact O-N 3.1Å; F185-Q188 PolarHBondContact O-OE1 3.21Å; E186-Q188 VanDerWaalsContact C-N 3.27Å; E186-Q188 PolarHBondContact O-N 3.21Å; Q188-Q191 PolarHBondContact O-N 2.78Å; Q188-I192 WeakPolarHBondContact O-CD1 3.29Å; Q188-I192 VanDerWaalsContact O-CG1 3.25Å; Q188-I192 WeakPolarHBondContact O-CG1 3.29Å; Q188-I192 PolarHBondContact O-N 3.41Å |
| 189 | I | 92.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -47.3 | 176 | -71 | 167.6 | 0 | 0 | 0 | 109.8 | M99 P152 L174 M180 F185 E186 Q191 I192 I193 F233 | M99-I189 HydrophobicContact CE-CG2 4.45Å; P152-I189 HydrophobicContact CB-CG1 4.41Å; P152-I189 HydrophobicContact CG-CG1 4.13Å; L174-I189 HydrophobicContact CD1-CG2 4.44Å; M180-I189 HydrophobicContact CB-CD1 3.7Å; M180-I189 HydrophobicContact CE-CD1 4.08Å; M180-I189 HydrophobicContact CG-CD1 4.4Å; M180-I189 HydrophobicContact SD-CD1 3.92Å; F185-I189 HydrophobicContact CB-CD1 4.31Å; F185-I189 WeakPolarHBondContact O-CG1 3.31Å; F185-I189 PolarHBondContact O-N 2.83Å; E186-I189 PolarHBondContact O-N 3.07Å; I189-Q191 VanDerWaalsContact C-N 3.33Å; I189-Q191 PolarHBondContact O-N 3.34Å; I189-I192 PolarHBondContact O-N 3.42Å; I189-I192 VanDerWaalsContact O-N 3.16Å; I189-I193 HydrophobicContact CG2-CD1 3.6Å; I189-I193 HydrophobicContact CG2-CG1 4.38Å; I189-I193 WeakPolarHBondContact O-CG1 3.39Å; I189-I193 PolarHBondContact O-N 2.96Å; I189-F233 HydrophobicContact CG2-CE2 4.32Å |
| 190 | R | 91.7 | Very high | 88.1 | Confident | 48 Ų | 48 | 44.7 Ų | 44.7 | 18% | 0.181 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 176.6 | -68.6 | -178.1 | 167.7 | -76.5 | 1.5 | 111.3 | E186 P187 I192 I193 Q194 E232 F233 | E186-R190 HydrophobicContact CG-CG 4.33Å; E186-R190 VanDerWaalsContact O-CG 3.31Å; E186-R190 WeakPolarHBondContact O-CG 2.94Å; E186-R190 PolarHBondContact O-N 3.38Å; E186-R190 IonicContact OE1-CZ 3.97Å; E186-R190 IonicContact OE1-NE 2.74Å; E186-R190 PolarHBondContact OE1-NE 3.45Å; E186-R190 IonicContact OE1-NH2 3.17Å; E186-R190 PolarHBondContact OE1-NH2 3.45Å; P187-R190 PolarHBondContact O-N 3.49Å; R190-I192 VanDerWaalsContact C-N 3.34Å; R190-I192 PolarHBondContact O-N 2.88Å; R190-I193 PolarHBondContact O-N 3.33Å; R190-Q194 VanDerWaalsContact O-CB 3.3Å; R190-Q194 WeakPolarHBondContact O-CB 3.31Å; R190-Q194 PolarHBondContact O-N 3.39Å; R190-E232 IonicContact CZ-OE1 3.83Å; R190-E232 IonicContact CZ-OE2 3.74Å; R190-E232 VanDerWaalsContact NH1-CD 3.29Å; R190-E232 IonicContact NH1-OE1 3.63Å; R190-E232 PolarHBondContact NH1-OE1 3.33Å; R190-E232 IonicContact NH1-OE2 2.75Å; R190-E232 PolarHBondContact NH1-OE2 3.01Å; R190-E232 IonicContact NH2-OE1 3.04Å; R190-E232 PolarHBondContact NH2-OE1 2.82Å; R190-E232 IonicContact NH2-OE2 3.97Å; R190-F233 HydrophobicContact CB-CZ 4.43Å; R190-F233 HydrophobicContact CG-CE2 4.21Å; R190-F233 HydrophobicContact CG-CZ 3.94Å |
| 191 | Q | 93.9 | Very high | 88.6 | Confident | 62 Ų | 62 | 47 Ų | 47 | 29% | 0.29 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 174.5 | -179.4 | 170.1 | 12.5 | 0 | 0 | 112.6 | P187 Q188 I189 H195 S196 | P187-Q191 WeakPolarHBondContact O-CB 3.29Å; P187-Q191 PolarHBondContact O-N 2.59Å; Q188-Q191 PolarHBondContact O-N 2.78Å; I189-Q191 VanDerWaalsContact C-N 3.33Å; I189-Q191 PolarHBondContact O-N 3.34Å; Q191-H195 CarbonylContact O-C 3.52Å; Q191-H195 WeakPolarHBondContact O-CA 3.28Å; Q191-H195 WeakPolarHBondContact O-CB 3.26Å; Q191-H195 PolarHBondContact O-N 2.85Å; Q191-S196 PolarHBondContact O-N 3Å; Q191-S196 PolarHBondContact O-OG 2.87Å; Q191-S196 VanDerWaalsContact O-OG 3.08Å |
| 192 | I | 94.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -51.6 | 179.1 | -69.1 | 163.4 | 0 | 0 | 0 | 110.2 | L97 M99 P152 L155 N156 I159 L166 Q188 I189 R190 S196 L198 | L97-I192 HydrophobicContact CD2-CG2 4.14Å; M99-I192 HydrophobicContact CE-CG2 4.19Å; M99-I192 HydrophobicContact SD-CB 4.47Å; M99-I192 HydrophobicContact SD-CD1 3.55Å; M99-I192 VanDerWaalsContact SD-CD1 3.55Å; M99-I192 HydrophobicContact SD-CG2 4.1Å; P152-I192 HydrophobicContact CB-CD1 4.11Å; L155-I192 HydrophobicContact CB-CD1 4.27Å; L155-I192 HydrophobicContact CD2-CD1 4.02Å; L155-I192 HydrophobicContact CD2-CG2 4.3Å; L155-I192 HydrophobicContact CG-CD1 4.19Å; N156-I192 WeakPolarHBondContact OD1-CG1 3.44Å; I159-I192 HydrophobicContact CD1-CG1 4.41Å; L166-I192 HydrophobicContact CD1-CG2 3.61Å; Q188-I192 WeakPolarHBondContact O-CD1 3.29Å; Q188-I192 VanDerWaalsContact O-CG1 3.25Å; Q188-I192 WeakPolarHBondContact O-CG1 3.29Å; Q188-I192 PolarHBondContact O-N 3.41Å; I189-I192 PolarHBondContact O-N 3.42Å; I189-I192 VanDerWaalsContact O-N 3.16Å; R190-I192 VanDerWaalsContact C-N 3.34Å; R190-I192 PolarHBondContact O-N 2.88Å; I192-S196 WeakPolarHBondContact CA-OG 3.25Å; I192-S196 WeakPolarHBondContact O-CB 3.39Å; I192-S196 PolarHBondContact O-N 3.3Å; I192-L198 HydrophobicContact CG2-CD1 3.98Å |
| 193 | I | 93.8 | Very high | 90.2 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.3 | -41.5 | -172.3 | -62.3 | 173.2 | 0 | 0 | 0 | 112.3 | M99 L172 L174 I189 R190 L198 F233 | M99-I193 HydrophobicContact CE-CG1 4.48Å; L172-I193 HydrophobicContact CD2-CD1 3.82Å; L172-I193 HydrophobicContact CD2-CG1 3.88Å; L174-I193 HydrophobicContact CD1-CD1 4.5Å; I189-I193 HydrophobicContact CG2-CD1 3.6Å; I189-I193 HydrophobicContact CG2-CG1 4.38Å; I189-I193 WeakPolarHBondContact O-CG1 3.39Å; I189-I193 PolarHBondContact O-N 2.96Å; R190-I193 PolarHBondContact O-N 3.33Å; I193-L198 HydrophobicContact CB-CD1 4.4Å; I193-L198 HydrophobicContact CG1-CD1 4.13Å; I193-F233 HydrophobicContact CB-CD1 4.31Å; I193-F233 HydrophobicContact CB-CE1 4.22Å; I193-F233 HydrophobicContact CB-CE2 4.43Å; I193-F233 HydrophobicContact CB-CG 4.49Å; I193-F233 HydrophobicContact CB-CZ 4.27Å; I193-F233 HydrophobicContact CD1-CB 4.29Å; I193-F233 HydrophobicContact CD1-CD1 4.48Å; I193-F233 HydrophobicContact CD1-CD2 3.42Å; I193-F233 VanDerWaalsContact CD1-CD2 3.42Å; I193-F233 HydrophobicContact CD1-CE2 3.74Å; I193-F233 HydrophobicContact CD1-CG 3.84Å; I193-F233 HydrophobicContact CD1-CZ 4.42Å; I193-F233 HydrophobicContact CG2-CB 4.32Å; I193-F233 HydrophobicContact CG2-CD1 3.5Å; I193-F233 VanDerWaalsContact CG2-CD1 3.5Å; I193-F233 HydrophobicContact CG2-CD2 4.36Å; I193-F233 HydrophobicContact CG2-CE1 3.79Å; I193-F233 HydrophobicContact CG2-CG 3.82Å; I193-F233 HydrophobicContact CG2-CZ 4.31Å |
| 194 | Q | 91 | Very high | 91.4 | Very high | 94 Ų | 94 | 51 Ų | 51 | 44% | 0.439 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -94.3 | -29.3 | -172.6 | -63.6 | 171.1 | -42.7 | 0 | 0 | 113.2 | R190 F233 | R190-Q194 VanDerWaalsContact O-CB 3.3Å; R190-Q194 WeakPolarHBondContact O-CB 3.31Å; R190-Q194 PolarHBondContact O-N 3.39Å; Q194-F233 HydrophobicContact CG-CE1 3.64Å; Q194-F233 HydrophobicContact CG-CZ 4.11Å |
| 195 | H | 88.9 | Confident | 92.2 | Very high | 142 Ų | 142 | 49.6 Ų | 49.6 | 66% | 0.657 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -122.2 | 1 | -166.5 | -53.8 | 91.7 | 0 | 0 | 0 | 114.5 | Q191 | Q191-H195 CarbonylContact O-C 3.52Å; Q191-H195 WeakPolarHBondContact O-CA 3.28Å; Q191-H195 WeakPolarHBondContact O-CB 3.26Å; Q191-H195 PolarHBondContact O-N 2.85Å |
| 196 | S | 90.3 | Very high | 92.7 | Very high | 17 Ų | 17 | 48.3 Ų | 48.3 | 12% | 0.119 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -109.3 | 19.3 | -177.4 | -53.1 | 0 | 0 | 0 | 0 | 114 | Q191 I192 L198 | Q191-S196 PolarHBondContact O-N 3Å; Q191-S196 PolarHBondContact O-OG 2.87Å; Q191-S196 VanDerWaalsContact O-OG 3.08Å; I192-S196 WeakPolarHBondContact CA-OG 3.25Å; I192-S196 WeakPolarHBondContact O-CB 3.39Å; I192-S196 PolarHBondContact O-N 3.3Å; S196-L198 VanDerWaalsContact C-N 3.35Å; S196-L198 PolarHBondContact O-N 2.99Å |
| 197 | G | 91.5 | Very high | 93.2 | Very high | 40 Ų | 40 | 46 Ų | 46 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | trans | 73.4 | 20.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | K167 | K167-G197 WeakPolarHBondContact CA-O 3.38Å; K167-G197 PolarHBondContact N-O 2.81Å | ||
| 198 | L | 94.9 | Very high | 93.4 | Very high | 17 Ų | 17 | 42 Ų | 42 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 139.6 | 169.1 | -93.4 | 164.9 | 0 | 0 | 0 | 110 | L166 C169 L172 I192 I193 S196 | L166-L198 HydrophobicContact CB-CD2 3.98Å; L166-L198 HydrophobicContact CB-CG 3.78Å; L166-L198 HydrophobicContact CD1-CD1 3.95Å; L166-L198 HydrophobicContact CD1-CD2 4.42Å; L166-L198 HydrophobicContact CD1-CG 3.87Å; L166-L198 HydrophobicContact CG-CG 4.49Å; C169-L198 HydrophobicContact CB-CD2 3.63Å; L172-L198 HydrophobicContact CD2-CD1 4.43Å; I192-L198 HydrophobicContact CG2-CD1 3.98Å; I193-L198 HydrophobicContact CB-CD1 4.4Å; I193-L198 HydrophobicContact CG1-CD1 4.13Å; S196-L198 VanDerWaalsContact C-N 3.35Å; S196-L198 PolarHBondContact O-N 2.99Å |
| 199 | P | 96 | Very high | 93.2 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -54.1 | 155.5 | 172.1 | -23.9 | 33 | 0 | 0 | 0 | 111.4 | L166 C169 D203 R204 | L166-P199 WeakPolarHBondContact O-CD 3.24Å; C169-P199 VanDerWaalsContact O-CD 3.24Å; C169-P199 WeakPolarHBondContact O-CD 3.18Å; P199-D203 HydrophobicContact CB-CB 3.81Å; P199-R204 HydrophobicContact CB-CB 4.4Å; P199-R204 WeakPolarHBondContact O-CD 3.21Å; P199-R204 PolarHBondContact O-NH1 3.07Å |
| 200 | T | 94 | Very high | 92.6 | Very high | 75 Ų | 75 | 39.8 Ų | 39.8 | 46% | 0.46 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 168.9 | -176.7 | 77.5 | 0 | 0 | 0 | 0 | 112.2 | Q202 D203 R204 | T200-Q202 PolarHBondContact O-N 3.34Å; T200-Q202 VanDerWaalsContact O-N 3.08Å; T200-Q202 PolarHBondContact OG1-N 3.12Å; T200-D203 PolarHBondContact O-N 3.28Å; T200-D203 PolarHBondContact OG1-OD2 3.26Å; T200-R204 WeakPolarHBondContact O-CG 3.41Å; T200-R204 PolarHBondContact O-N 3.34Å; T200-R204 VanDerWaalsContact O-N 3.12Å |
| 201 | I | 93.5 | Very high | 91.4 | Very high | 49 Ų | 49 | 38.3 Ų | 38.3 | 25% | 0.251 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -25.2 | 176.1 | 58.6 | 171.7 | 0 | 0 | 0 | 113 | R204 K235 | I201-R204 VanDerWaalsContact CG2-NH2 3.3Å; I201-K235 WeakPolarHBondContact O-CE 3.36Å; I201-K235 WeakPolarHBondContact O-CG 3.35Å; I201-K235 PolarHBondContact O-NZ 2.88Å |
| 202 | Q | 92.8 | Very high | 89.6 | Confident | 126 Ų | 126 | 36.7 Ų | 36.7 | 59% | 0.589 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -31.3 | 178.8 | -59.3 | -57.3 | -29.3 | 0 | 0 | 111.9 | T200 | T200-Q202 PolarHBondContact O-N 3.34Å; T200-Q202 VanDerWaalsContact O-N 3.08Å; T200-Q202 PolarHBondContact OG1-N 3.12Å |
| 203 | D | 94.9 | Very high | 87.9 | Confident | 102 Ų | 102 | 37.1 Ų | 37.1 | 55% | 0.545 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -4.2 | -172.3 | -54.2 | -56.5 | 0 | 0 | 0 | 113.8 | P199 T200 | P199-D203 HydrophobicContact CB-CB 3.81Å; T200-D203 PolarHBondContact O-N 3.28Å; T200-D203 PolarHBondContact OG1-OD2 3.26Å |
| 204 | R | 96 | Very high | 85.5 | Confident | 14 Ų | 14 | 39 Ų | 39 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -124.1 | 154.6 | 175.7 | 78.6 | -175.8 | -179.2 | -105.4 | -1.4 | 111.4 | R170 P199 T200 I201 T206 F233 K235 | R170-R204 CarbonylContact O-C 3.51Å; R170-R204 VanDerWaalsContact O-CA 3.23Å; R170-R204 WeakPolarHBondContact O-CA 3.49Å; R170-R204 WeakPolarHBondContact O-CB 3.18Å; P199-R204 HydrophobicContact CB-CB 4.4Å; P199-R204 WeakPolarHBondContact O-CD 3.21Å; P199-R204 PolarHBondContact O-NH1 3.07Å; T200-R204 WeakPolarHBondContact O-CG 3.41Å; T200-R204 PolarHBondContact O-N 3.34Å; T200-R204 VanDerWaalsContact O-N 3.12Å; I201-R204 VanDerWaalsContact CG2-NH2 3.3Å; R204-T206 PolarHBondContact NE-OG1 2.83Å; R204-F233 PolarHBondContact NH2-O 2.85Å; R204-K235 PolarHBondContact O-NZ 3.35Å |
| 205 | Q | 97.3 | Very high | 83.3 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 127.6 | 164.6 | -177.6 | -179.1 | 40.1 | 0 | 0 | 109.2 | L33 R36 R37 D38 R170 Y171 L172 | L33-Q205 PolarHBondContact O-NE2 3.24Å; R36-Q205 VanDerWaalsContact C-NE2 3.28Å; R37-Q205 PolarHBondContact O-NE2 3.48Å; D38-Q205 WeakPolarHBondContact OD1-CA 3.3Å; R170-Q205 PolarHBondContact O-N 3.07Å; Y171-Q205 WeakPolarHBondContact CA-O 3.33Å; Y171-Q205 HydrophobicContact CD1-CB 4.09Å; L172-Q205 PolarHBondContact N-O 2.83Å |
| 206 | T | 96.4 | Very high | 81 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.6 | 177.2 | -52.7 | 0 | 0 | 0 | 0 | 110.5 | D38 L39 L172 R204 F233 M234 | D38-T206 WeakPolarHBondContact CA-O 3.5Å; D38-T206 VanDerWaalsContact CB-O 3.29Å; D38-T206 WeakPolarHBondContact CB-O 3.47Å; D38-T206 PolarHBondContact OD1-N 2.92Å; L39-T206 PolarHBondContact N-O 3.16Å; L39-T206 VanDerWaalsContact N-O 3.1Å; L172-T206 HydrophobicContact CB-CG2 4.36Å; L172-T206 HydrophobicContact CD2-CG2 4.06Å; L172-T206 HydrophobicContact CG-CG2 4.26Å; L172-T206 CarbonylContact O-C 3.6Å; L172-T206 WeakPolarHBondContact O-CA 3.38Å; R204-T206 PolarHBondContact NE-OG1 2.83Å; T206-F233 PolarHBondContact OG1-O 2.89Å; T206-M234 HydrophobicContact CG2-CG 3.9Å |
| 207 | S | 94.9 | Very high | 78.7 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 138.6 | 171.3 | 61.1 | 0 | 0 | 0 | 0 | 112.3 | L39 L172 V173 L174 | L39-S207 CarbonylContact O-C 3.54Å; L39-S207 WeakPolarHBondContact O-CA 3.43Å; L172-S207 PolarHBondContact O-N 2.81Å; V173-S207 CarbonylContact C-O 3.52Å; V173-S207 WeakPolarHBondContact CA-O 3.34Å; V173-S207 WeakPolarHBondContact CG2-OG 3.27Å; L174-S207 PolarHBondContact N-O 3.04Å |
| 208 | M | 90.9 | Very high | 76.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.9 | 179.1 | -73.5 | -174.3 | 62.2 | 0 | 0 | 110.1 | L39 M40 A41 L174 A177 L229 M234 | L39-M208 PolarHBondContact O-N 3.45Å; M40-M208 WeakPolarHBondContact CA-O 3.47Å; A41-M208 PolarHBondContact N-O 2.9Å; L174-M208 HydrophobicContact CB-CG 4.04Å; L174-M208 HydrophobicContact CD1-CE 4.38Å; L174-M208 HydrophobicContact CD1-CG 3.91Å; L174-M208 HydrophobicContact CD1-SD 4.12Å; L174-M208 HydrophobicContact CG-CG 4.21Å; A177-M208 HydrophobicContact CB-CE 3.58Å; M208-L229 HydrophobicContact CE-CB 4Å; M208-L229 HydrophobicContact CE-CD1 4.03Å; M208-L229 HydrophobicContact SD-CB 4.2Å; M208-M234 HydrophobicContact CB-SD 4.39Å; M208-M234 HydrophobicContact CG-SD 3.96Å; M208-M234 HydrophobicContact SD-SD 3.84Å |
| 209 | F | 87.6 | Confident | 73.4 | Confident | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.9 | 174.2 | -63.6 | -94 | 0 | 0 | 0 | 109.2 | L33 L39 A41 A48 F49 V173 L174 E176 A177 | L33-F209 HydrophobicContact CD1-CZ 4.44Å; L39-F209 HydrophobicContact CD2-CE1 4.44Å; L39-F209 HydrophobicContact CD2-CZ 4.12Å; A41-F209 HydrophobicContact CB-CD1 3.89Å; A41-F209 HydrophobicContact CB-CE1 3.81Å; A41-F209 WeakPolarHBondContact O-CA 3.3Å; A48-F209 HydrophobicContact CB-CE1 4.26Å; A48-F209 HydrophobicContact CB-CZ 4.4Å; F49-F209 HydrophobicContact CB-CE2 3.73Å; F49-F209 HydrophobicContact CB-CZ 3.97Å; F49-F209 AromaticContact CD1-CD2 3.85Å; F49-F209 HydrophobicContact CD1-CD2 3.85Å; F49-F209 AromaticContact CD1-CE2 3.53Å; F49-F209 HydrophobicContact CD1-CE2 3.53Å; F49-F209 AromaticContact CD1-CZ 3.9Å; F49-F209 HydrophobicContact CD1-CZ 3.9Å; F49-F209 HydrophobicContact CE1-CD2 4.43Å; F49-F209 HydrophobicContact CG-CE2 4.02Å; F49-F209 HydrophobicContact CG-CZ 4.44Å; V173-F209 HydrophobicContact CG1-CD2 3.99Å; V173-F209 HydrophobicContact CG1-CE2 4.1Å; L174-F209 PolarHBondContact O-N 3.19Å; E176-F209 WeakPolarHBondContact CA-O 3.45Å; E176-F209 PolarHBondContact N-O 3.39Å; A177-F209 PolarHBondContact N-O 3.19Å |
| 210 | S | 79.6 | Confident | 70.4 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 142.3 | -178 | 168.4 | 0 | 0 | 0 | 0 | 110.1 | A41 C42 S43 D178 T212 | A41-S210 PolarHBondContact O-N 3.26Å; A41-S210 VanDerWaalsContact O-N 3.12Å; C42-S210 CarbonylContact C-O 3.51Å; C42-S210 WeakPolarHBondContact CA-O 3.38Å; S43-S210 PolarHBondContact N-O 2.87Å; D178-S210 WeakPolarHBondContact CB-OG 3.25Å; D178-S210 PolarHBondContact OD2-OG 2.86Å; D178-S210 VanDerWaalsContact OD2-OG 3.04Å; S210-T212 PolarHBondContact OG-O 3.43Å |
| 211 | A | 65.7 | Low | 67.7 | Low | 17 Ų | 17 | 57.6 Ų | 57.6 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -82.9 | -37.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S43 D178 H386 | S43-A211 VanDerWaalsContact OG-CB 3.3Å; S43-A211 WeakPolarHBondContact OG-CB 3.14Å; D178-A211 PolarHBondContact OD2-N 3.49Å; A211-H386 WeakPolarHBondContact CB-CE1 3.37Å; A211-H386 WeakPolarHBondContact CB-NE2 3.29Å |
| 212 | T | 57.2 | Low | 65.2 | Low | 28 Ų | 28 | 63.3 Ų | 63.3 | 17% | 0.172 | 33% | 0.331 | C | S | . | . | trans | -109.5 | 106.6 | -178.4 | 45.6 | 0 | 0 | 0 | 0 | 109.8 | D178 S210 D382 | D178-T212 PolarHBondContact OD2-N 2.89Å; D178-T212 VanDerWaalsContact OD2-N 3.13Å; D178-T212 PolarHBondContact OD2-OG1 2.9Å; S210-T212 PolarHBondContact OG-O 3.43Å; T212-D382 HydrophobicContact CG2-CB 3.78Å | ||
| 213 | F | 57.8 | Low | 62.8 | Low | 8 Ų | 8 | 65.2 Ų | 65.2 | 4% | 0.035 | 34% | 0.339 | C | S | . | . | trans | -102 | 103.8 | 160.8 | -69.5 | -51.4 | 0 | 0 | 0 | 105.8 | M40 S215 I217 Y240 | M40-F213 HydrophobicContact CE-CD1 3.59Å; M40-F213 HydrophobicContact CE-CE1 3.09Å; M40-F213 HydrophobicContact CE-CZ 3.84Å; M40-F213 HydrophobicContact CG-CE1 3.99Å; M40-F213 HydrophobicContact CG-CZ 3.68Å; M40-F213 HydrophobicContact SD-CE1 4.26Å; F213-S215 PolarHBondContact O-N 3.42Å; F213-I217 HydrophobicContact CB-CD1 3.55Å; F213-I217 HydrophobicContact CD1-CD1 4Å; F213-I217 HydrophobicContact CG-CD1 4.06Å; F213-Y240 AromaticContact CD2-CE2 3.94Å; F213-Y240 HydrophobicContact CD2-CE2 3.94Å; F213-Y240 AromaticContact CD2-CZ 3.99Å; F213-Y240 VanDerWaalsContact CD2-OH 3.26Å; F213-Y240 WeakPolarHBondContact CD2-OH 3.29Å; F213-Y240 AromaticContact CE2-CE2 4Å; F213-Y240 HydrophobicContact CE2-CE2 4Å; F213-Y240 HydrophobicContact CG-CE2 4.23Å; F213-Y240 WeakPolarHBondContact CG-OH 3.27Å; F213-Y240 HydrophobicContact CZ-CE2 4.36Å | ||
| 214 | P | 45.1 | Very low | 60.8 | Low | 47 Ų | 47 | 61.6 Ų | 61.6 | 31% | 0.305 | 32% | 0.322 | S | S | . | . | trans | -52.2 | 135.8 | -179.7 | -22.9 | 31.4 | 0 | 0 | 0 | 109.7 | E216 I217 | P214-E216 WeakPolarHBondContact CB-OE2 3.36Å; P214-E216 PolarHBondContact O-N 2.92Å; P214-I217 WeakPolarHBondContact O-CG1 3.44Å; P214-I217 PolarHBondContact O-N 3.16Å | ||
| 215 | S | 43.8 | Very low | 59 | Low | 111 Ų | 111 | 63.5 Ų | 63.5 | 78% | 0.776 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -55.9 | -16.9 | -179.4 | 35.6 | 0 | 0 | 0 | 0 | 113.2 | F213 I217 | F213-S215 PolarHBondContact O-N 3.42Å; S215-I217 PolarHBondContact O-N 3Å |
| 216 | E | 40.2 | Very low | 57.3 | Low | 111 Ų | 111 | 63.8 Ų | 63.8 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -73.3 | -0.3 | 176.2 | -58.1 | 78.7 | -158.6 | 0 | 0 | 114.9 | P214 R218 V219 S220 | P214-E216 WeakPolarHBondContact CB-OE2 3.36Å; P214-E216 PolarHBondContact O-N 2.92Å; E216-R218 PolarHBondContact O-N 3.03Å; E216-V219 PolarHBondContact O-N 3.42Å; E216-S220 PolarHBondContact O-N 3.43Å |
| 217 | I | 42.6 | Very low | 55.6 | Low | 39 Ų | 39 | 64.4 Ų | 64.4 | 20% | 0.2 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -52 | -23 | 175.8 | -75.3 | 175.4 | 0 | 0 | 0 | 112.9 | F213 P214 S215 L221 T227 | F213-I217 HydrophobicContact CB-CD1 3.55Å; F213-I217 HydrophobicContact CD1-CD1 4Å; F213-I217 HydrophobicContact CG-CD1 4.06Å; P214-I217 WeakPolarHBondContact O-CG1 3.44Å; P214-I217 PolarHBondContact O-N 3.16Å; S215-I217 PolarHBondContact O-N 3Å; I217-L221 VanDerWaalsContact O-CD2 3.3Å; I217-L221 WeakPolarHBondContact O-CD2 3.28Å; I217-L221 VanDerWaalsContact O-CG 3.28Å; I217-L221 WeakPolarHBondContact O-CG 3.36Å; I217-T227 HydrophobicContact CG1-CG2 4.29Å; I217-T227 HydrophobicContact CG2-CG2 4.33Å |
| 218 | R | 38.4 | Very low | 54.4 | Low | 228 Ų | 228 | 67.2 Ų | 67.2 | 86% | 0.86 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -91.7 | -19.6 | 175 | -91.9 | 178.6 | 76.6 | -137.4 | 7.1 | 116.4 | E216 | E216-R218 PolarHBondContact O-N 3.03Š|
| 219 | V | 36.2 | Very low | 53.7 | Low | 136 Ų | 136 | 67.2 Ų | 67.2 | 82% | 0.824 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | -24 | -170.2 | -171.8 | 0 | 0 | 0 | 0 | 113 | E216 | E216-V219 PolarHBondContact O-N 3.42Š|
| 220 | S | 33.4 | Very low | 53.1 | Low | 74 Ų | 74 | 67.1 Ų | 67.1 | 52% | 0.517 | 35% | 0.352 | S | S | . | . | trans | -129.8 | 46.7 | -178.2 | -142.8 | 0 | 0 | 0 | 0 | 112.7 | E216 H222 H223 | E216-S220 PolarHBondContact O-N 3.43Å; S220-H222 PolarHBondContact O-N 3.37Å; S220-H223 PolarHBondContact O-N 3.12Å | ||
| 221 | L | 36.9 | Very low | 53 | Low | 101 Ų | 101 | 71.2 Ų | 71.2 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -28.6 | -176.6 | -86.2 | 158.5 | 0 | 0 | 0 | 114.7 | I217 H223 T227 | I217-L221 VanDerWaalsContact O-CD2 3.3Å; I217-L221 WeakPolarHBondContact O-CD2 3.28Å; I217-L221 VanDerWaalsContact O-CG 3.28Å; I217-L221 WeakPolarHBondContact O-CG 3.36Å; L221-H223 PolarHBondContact O-N 3.22Å; L221-T227 HydrophobicContact CD2-CG2 4.05Å; L221-T227 PolarHBondContact O-OG1 3.42Å; L221-T227 VanDerWaalsContact O-OG1 3.09Å |
| 222 | H | 40.5 | Very low | 53.9 | Low | 168 Ų | 168 | 73.9 Ų | 73.9 | 78% | 0.778 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -3.5 | -172.3 | -106.9 | -121.9 | 0 | 0 | 0 | 116.1 | S220 H228 | S220-H222 PolarHBondContact O-N 3.37Å; H222-H228 PolarHBondContact O-CE1 3.2Å |
| 223 | H | 44.3 | Very low | 55.4 | Low | 166 Ų | 166 | 72.8 Ų | 72.8 | 77% | 0.769 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.6 | -1.5 | -178.3 | -105 | -67.6 | 0 | 0 | 0 | 116.4 | S220 L221 V225 | S220-H223 PolarHBondContact O-N 3.12Å; L221-H223 PolarHBondContact O-N 3.22Å; H223-V225 PolarHBondContact O-N 3.46Å |
| 224 | C | 52.4 | Low | 57.1 | Low | 27 Ų | 27 | 72.5 Ų | 72.5 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | trans | -80.2 | 120.8 | 178.2 | -158.7 | 0 | 0 | 0 | 0 | 110.1 | H226 T227 H228 | C224-H226 PolarHBondContact O-N 2.96Å; C224-H226 VanDerWaalsContact O-N 3.14Å; C224-T227 HydrophobicContact CB-CG2 4.35Å; C224-T227 PolarHBondContact O-N 3.01Å; C224-T227 PolarHBondContact O-OG1 2.77Å; C224-H228 PolarHBondContact O-N 3.19Å; C224-H228 PolarHBondContact O-ND1 3.31Å | ||
| 225 | V | 57.3 | Low | 59.3 | Low | 54 Ų | 54 | 71.6 Ų | 71.6 | 33% | 0.327 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.8 | -30.5 | -178.7 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | L181 E186 H223 H228 L229 | L181-V225 HydrophobicContact CD1-CB 3.96Å; L181-V225 HydrophobicContact CD1-CG1 3.55Å; L181-V225 HydrophobicContact CD2-CG1 3.54Å; L181-V225 HydrophobicContact CG-CG1 4.1Å; E186-V225 HydrophobicContact CG-CG1 4.45Å; E186-V225 WeakPolarHBondContact OE2-CG1 3.1Å; H223-V225 PolarHBondContact O-N 3.46Å; V225-H228 PolarHBondContact O-N 3.26Å; V225-L229 PolarHBondContact O-N 3.18Å |
| 226 | H | 61.2 | Low | 61.4 | Low | 19 Ų | 19 | 71.9 Ų | 71.9 | 9% | 0.088 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 174 | -62 | 96.7 | 0 | 0 | 0 | 113.1 | M40 D178 C224 H228 L229 A230 | M40-H226 HydrophobicContact CE-CB 4.33Å; D178-H226 WeakPolarHBondContact CA-NE2 3.31Å; D178-H226 WeakPolarHBondContact CB-NE2 2.97Å; C224-H226 PolarHBondContact O-N 2.96Å; C224-H226 VanDerWaalsContact O-N 3.14Å; H226-H228 VanDerWaalsContact C-N 3.29Å; H226-L229 PolarHBondContact O-N 3.38Å; H226-A230 WeakPolarHBondContact O-CB 3.35Å; H226-A230 PolarHBondContact O-N 3.43Å; H226-A230 VanDerWaalsContact O-N 3.07Å |
| 227 | T | 61.1 | Low | 63.7 | Low | 13 Ų | 13 | 70.7 Ų | 70.7 | 8% | 0.08 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.5 | -30.3 | 179.4 | 50.7 | 0 | 0 | 0 | 0 | 111 | I217 L221 C224 S231 | I217-T227 HydrophobicContact CG1-CG2 4.29Å; I217-T227 HydrophobicContact CG2-CG2 4.33Å; L221-T227 HydrophobicContact CD2-CG2 4.05Å; L221-T227 PolarHBondContact O-OG1 3.42Å; L221-T227 VanDerWaalsContact O-OG1 3.09Å; C224-T227 HydrophobicContact CB-CG2 4.35Å; C224-T227 PolarHBondContact O-N 3.01Å; C224-T227 PolarHBondContact O-OG1 2.77Å; T227-S231 VanDerWaalsContact O-CB 3.23Å; T227-S231 WeakPolarHBondContact O-CB 3.36Å; T227-S231 PolarHBondContact O-N 2.76Å; T227-S231 PolarHBondContact O-OG 3.1Å |
| 228 | H | 70.3 | Confident | 66 | Low | 63 Ų | 63 | 72.4 Ų | 72.4 | 29% | 0.292 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.2 | -47 | 173.6 | -70.1 | 74.1 | 0 | 0 | 0 | 112.3 | H222 C224 V225 H226 A230 S231 E232 | H222-H228 PolarHBondContact O-CE1 3.2Å; C224-H228 PolarHBondContact O-N 3.19Å; C224-H228 PolarHBondContact O-ND1 3.31Å; V225-H228 PolarHBondContact O-N 3.26Å; H226-H228 VanDerWaalsContact C-N 3.29Å; H228-A230 VanDerWaalsContact C-N 3.29Å; H228-A230 PolarHBondContact O-N 2.89Å; H228-S231 WeakPolarHBondContact CA-OG 3.15Å; H228-S231 PolarHBondContact O-N 3.43Å; H228-S231 PolarHBondContact O-OG 3.27Å; H228-S231 VanDerWaalsContact O-OG 3.09Å; H228-E232 VanDerWaalsContact O-CB 3.29Å; H228-E232 WeakPolarHBondContact O-CB 3.31Å; H228-E232 VanDerWaalsContact O-CG 3.27Å; H228-E232 WeakPolarHBondContact O-CG 3.25Å; H228-E232 PolarHBondContact O-N 3.4Å |
| 229 | L | 76.1 | Confident | 68.5 | Low | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.3 | -44 | 175.7 | -73.6 | -169.6 | 0 | 0 | 0 | 111.3 | L181 M208 V225 H226 F233 | L181-L229 HydrophobicContact CD1-CD1 3.81Å; L181-L229 HydrophobicContact CD1-CG 4.46Å; L181-L229 HydrophobicContact CD2-CD1 3.67Å; L181-L229 HydrophobicContact CD2-CG 4.27Å; L181-L229 HydrophobicContact CG-CD1 3.92Å; M208-L229 HydrophobicContact CE-CB 4Å; M208-L229 HydrophobicContact CE-CD1 4.03Å; M208-L229 HydrophobicContact SD-CB 4.2Å; V225-L229 PolarHBondContact O-N 3.18Å; H226-L229 PolarHBondContact O-N 3.38Å; L229-F233 HydrophobicContact CB-CD2 4.42Å; L229-F233 HydrophobicContact CD2-CD2 3.79Å; L229-F233 HydrophobicContact CD2-CE2 3.45Å; L229-F233 VanDerWaalsContact CD2-CE2 3.45Å; L229-F233 VanDerWaalsContact O-CB 3.24Å; L229-F233 WeakPolarHBondContact O-CB 3.01Å; L229-F233 PolarHBondContact O-N 3.13Å |
| 230 | A | 75.7 | Confident | 70.9 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.3 | -47.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M40 H226 H228 E232 M234 Y238 | M40-A230 HydrophobicContact SD-CB 4.11Å; H226-A230 WeakPolarHBondContact O-CB 3.35Å; H226-A230 PolarHBondContact O-N 3.43Å; H226-A230 VanDerWaalsContact O-N 3.07Å; H228-A230 VanDerWaalsContact C-N 3.29Å; H228-A230 PolarHBondContact O-N 2.89Å; A230-E232 VanDerWaalsContact C-N 3.29Å; A230-E232 PolarHBondContact O-N 3.39Å; A230-M234 HydrophobicContact CB-SD 3.96Å; A230-M234 VanDerWaalsContact O-CB 3.26Å; A230-M234 WeakPolarHBondContact O-CB 3.27Å; A230-M234 PolarHBondContact O-N 3.03Å; A230-Y238 HydrophobicContact CB-CE1 4.49Å |
| 231 | S | 77.5 | Confident | 73.2 | Confident | 85 Ų | 85 | 58.7 Ų | 58.7 | 59% | 0.594 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.5 | -30.9 | -178.7 | 66 | 0 | 0 | 0 | 0 | 113.3 | T227 H228 | T227-S231 VanDerWaalsContact O-CB 3.23Å; T227-S231 WeakPolarHBondContact O-CB 3.36Å; T227-S231 PolarHBondContact O-N 2.76Å; T227-S231 PolarHBondContact O-OG 3.1Å; H228-S231 WeakPolarHBondContact CA-OG 3.15Å; H228-S231 PolarHBondContact O-N 3.43Å; H228-S231 PolarHBondContact O-OG 3.27Å; H228-S231 VanDerWaalsContact O-OG 3.09Å |
| 232 | E | 84.5 | Confident | 75 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 35% | 0.346 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -87.5 | -35 | -179.9 | -69.1 | -177.8 | -128 | 0 | 0 | 113.3 | R190 H228 A230 | R190-E232 IonicContact CZ-OE1 3.83Å; R190-E232 IonicContact CZ-OE2 3.74Å; R190-E232 VanDerWaalsContact NH1-CD 3.29Å; R190-E232 IonicContact NH1-OE1 3.63Å; R190-E232 PolarHBondContact NH1-OE1 3.33Å; R190-E232 IonicContact NH1-OE2 2.75Å; R190-E232 PolarHBondContact NH1-OE2 3.01Å; R190-E232 IonicContact NH2-OE1 3.04Å; R190-E232 PolarHBondContact NH2-OE1 2.82Å; R190-E232 IonicContact NH2-OE2 3.97Å; H228-E232 VanDerWaalsContact O-CB 3.29Å; H228-E232 WeakPolarHBondContact O-CB 3.31Å; H228-E232 VanDerWaalsContact O-CG 3.27Å; H228-E232 WeakPolarHBondContact O-CG 3.25Å; H228-E232 PolarHBondContact O-N 3.4Å; A230-E232 VanDerWaalsContact C-N 3.29Å; A230-E232 PolarHBondContact O-N 3.39Å |
| 233 | F | 88.8 | Confident | 76.2 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -110.2 | -6.5 | -167.9 | -57.3 | -31.5 | 0 | 0 | 0 | 115.3 | I189 R190 I193 Q194 R204 T206 L229 | I189-F233 HydrophobicContact CG2-CE2 4.32Å; R190-F233 HydrophobicContact CB-CZ 4.43Å; R190-F233 HydrophobicContact CG-CE2 4.21Å; R190-F233 HydrophobicContact CG-CZ 3.94Å; I193-F233 HydrophobicContact CB-CD1 4.31Å; I193-F233 HydrophobicContact CB-CE1 4.22Å; I193-F233 HydrophobicContact CB-CE2 4.43Å; I193-F233 HydrophobicContact CB-CG 4.49Å; I193-F233 HydrophobicContact CB-CZ 4.27Å; I193-F233 HydrophobicContact CD1-CB 4.29Å; I193-F233 HydrophobicContact CD1-CD1 4.48Å; I193-F233 HydrophobicContact CD1-CD2 3.42Å; I193-F233 VanDerWaalsContact CD1-CD2 3.42Å; I193-F233 HydrophobicContact CD1-CE2 3.74Å; I193-F233 HydrophobicContact CD1-CG 3.84Å; I193-F233 HydrophobicContact CD1-CZ 4.42Å; I193-F233 HydrophobicContact CG2-CB 4.32Å; I193-F233 HydrophobicContact CG2-CD1 3.5Å; I193-F233 VanDerWaalsContact CG2-CD1 3.5Å; I193-F233 HydrophobicContact CG2-CD2 4.36Å; I193-F233 HydrophobicContact CG2-CE1 3.79Å; I193-F233 HydrophobicContact CG2-CG 3.82Å; I193-F233 HydrophobicContact CG2-CZ 4.31Å; Q194-F233 HydrophobicContact CG-CE1 3.64Å; Q194-F233 HydrophobicContact CG-CZ 4.11Å; R204-F233 PolarHBondContact NH2-O 2.85Å; T206-F233 PolarHBondContact OG1-O 2.89Å; L229-F233 HydrophobicContact CB-CD2 4.42Å; L229-F233 HydrophobicContact CD2-CD2 3.79Å; L229-F233 HydrophobicContact CD2-CE2 3.45Å; L229-F233 VanDerWaalsContact CD2-CE2 3.45Å; L229-F233 VanDerWaalsContact O-CB 3.24Å; L229-F233 WeakPolarHBondContact O-CB 3.01Å; L229-F233 PolarHBondContact O-N 3.13Å |
| 234 | M | 91.9 | Very high | 76.8 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -117.8 | 159.2 | 178.8 | -53 | 177.7 | 64.6 | 0 | 0 | 111.1 | D38 L39 M40 T206 M208 A230 Y238 | D38-M234 HydrophobicContact CB-CB 4.28Å; D38-M234 HydrophobicContact CB-CE 3.84Å; D38-M234 VanDerWaalsContact OD2-CA 3.25Å; D38-M234 WeakPolarHBondContact OD2-CA 3.44Å; L39-M234 VanDerWaalsContact O-CE 3.28Å; L39-M234 WeakPolarHBondContact O-CE 3.37Å; M40-M234 HydrophobicContact CB-CE 4.29Å; T206-M234 HydrophobicContact CG2-CG 3.9Å; M208-M234 HydrophobicContact CB-SD 4.39Å; M208-M234 HydrophobicContact CG-SD 3.96Å; M208-M234 HydrophobicContact SD-SD 3.84Å; A230-M234 HydrophobicContact CB-SD 3.96Å; A230-M234 VanDerWaalsContact O-CB 3.26Å; A230-M234 WeakPolarHBondContact O-CB 3.27Å; A230-M234 PolarHBondContact O-N 3.03Å; M234-Y238 HydrophobicContact CB-CD1 4.41Å; M234-Y238 HydrophobicContact CE-CD2 4Å; M234-Y238 HydrophobicContact CE-CG 3.96Å |
| 235 | K | 93 | Very high | 76.7 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 12% | 0.122 | 28% | 0.279 | C | S | . | . | trans | -62.9 | 145.9 | 172.2 | -62.6 | -176.2 | -169.8 | 75.5 | 0 | 110.5 | D38 I201 R204 D237 Y238 | D38-K235 IonicContact OD1-NZ 3.99Å; D38-K235 PolarHBondContact OD1-NZ 3.39Å; D38-K235 PolarHBondContact OD2-N 3.12Å; D38-K235 IonicContact OD2-NZ 2.83Å; I201-K235 WeakPolarHBondContact O-CE 3.36Å; I201-K235 WeakPolarHBondContact O-CG 3.35Å; I201-K235 PolarHBondContact O-NZ 2.88Å; R204-K235 PolarHBondContact O-NZ 3.35Å; K235-D237 WeakPolarHBondContact CB-OD1 3.2Å; K235-D237 PolarHBondContact O-N 3.39Å; K235-D237 VanDerWaalsContact O-N 3.07Å; K235-Y238 VanDerWaalsContact O-CD1 3.29Å; K235-Y238 WeakPolarHBondContact O-CD1 3.29Å; K235-Y238 PolarHBondContact O-N 3.07Å; K235-Y238 VanDerWaalsContact O-N 3.16Å | ||
| 236 | P | 87.1 | Confident | 76.2 | Confident | 116 Ų | 116 | 47.2 Ų | 47.2 | 75% | 0.753 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24.9 | -179.7 | -25.7 | 34.5 | 0 | 0 | 0 | 115 | ||
| 237 | D | 88.9 | Confident | 75.8 | Confident | 87 Ų | 87 | 47.6 Ų | 47.6 | 47% | 0.465 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 26.5 | -178.2 | 74.4 | -44 | 0 | 0 | 0 | 113.6 | R37 K235 | R37-D237 IonicContact NH1-OD2 3.95Å; R37-D237 PolarHBondContact NH1-OD2 3.43Å; K235-D237 WeakPolarHBondContact CB-OD1 3.2Å; K235-D237 PolarHBondContact O-N 3.39Å; K235-D237 VanDerWaalsContact O-N 3.07Å |
| 238 | Y | 90.3 | Very high | 75.7 | Confident | 74 Ų | 74 | 49.8 Ų | 49.8 | 29% | 0.29 | 30% | 0.302 | S | S | . | . | trans | -60.3 | 145.5 | 177 | 73.3 | -88.5 | 0 | 0 | 0 | 112.2 | D38 M40 A230 M234 K235 | D38-Y238 WeakPolarHBondContact O-CA 3.33Å; M40-Y238 HydrophobicContact CB-CD2 3.86Å; M40-Y238 HydrophobicContact CB-CE2 3.79Å; M40-Y238 HydrophobicContact SD-CE2 3.85Å; A230-Y238 HydrophobicContact CB-CE1 4.49Å; M234-Y238 HydrophobicContact CB-CD1 4.41Å; M234-Y238 HydrophobicContact CE-CD2 4Å; M234-Y238 HydrophobicContact CE-CG 3.96Å; K235-Y238 VanDerWaalsContact O-CD1 3.29Å; K235-Y238 WeakPolarHBondContact O-CD1 3.29Å; K235-Y238 PolarHBondContact O-N 3.07Å; K235-Y238 VanDerWaalsContact O-N 3.16Å | ||
| 239 | A | 90.6 | Very high | 75.6 | Confident | 26 Ų | 26 | 47 Ų | 47 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 140.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V32 D38 L39 M40 | V32-A239 HydrophobicContact CG1-CB 3.67Å; V32-A239 HydrophobicContact CG2-CB 4.21Å; D38-A239 PolarHBondContact O-N 2.93Å; L39-A239 HydrophobicContact CD1-CB 4.14Å; M40-A239 PolarHBondContact N-O 2.96Å |
| 240 | Y | 86.8 | Confident | 75.2 | Confident | 104 Ų | 104 | 49.8 Ų | 49.8 | 41% | 0.408 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.1 | 173 | -178.9 | -98.9 | 0 | 0 | 0 | 110.4 | M40 F213 | M40-Y240 HydrophobicContact CB-CD2 4.02Å; M40-Y240 HydrophobicContact CG-CD2 3.87Å; M40-Y240 HydrophobicContact CG-CE2 4.12Å; M40-Y240 CarbonylContact O-C 3.54Å; M40-Y240 WeakPolarHBondContact O-CA 3.46Å; M40-Y240 HydrophobicContact SD-CD2 3.91Å; M40-Y240 HydrophobicContact SD-CE2 4.13Å; F213-Y240 AromaticContact CD2-CE2 3.94Å; F213-Y240 HydrophobicContact CD2-CE2 3.94Å; F213-Y240 AromaticContact CD2-CZ 3.99Å; F213-Y240 VanDerWaalsContact CD2-OH 3.26Å; F213-Y240 WeakPolarHBondContact CD2-OH 3.29Å; F213-Y240 AromaticContact CE2-CE2 4Å; F213-Y240 HydrophobicContact CE2-CE2 4Å; F213-Y240 HydrophobicContact CG-CE2 4.23Å; F213-Y240 WeakPolarHBondContact CG-OH 3.27Å; F213-Y240 HydrophobicContact CZ-CE2 4.36Å |
| 241 | I | 83 | Confident | 75.1 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 110.5 | -179.4 | -59.3 | 175.2 | 0 | 0 | 0 | 109.6 | Y28 A29 V32 L39 M40 A41 C42 I243 | Y28-I241 VanDerWaalsContact C-CD1 3.5Å; A29-I241 HydrophobicContact CB-CD1 4.34Å; V32-I241 HydrophobicContact CG2-CD1 4.33Å; L39-I241 HydrophobicContact CD1-CB 4.32Å; L39-I241 HydrophobicContact CD1-CD1 3.4Å; L39-I241 HydrophobicContact CD1-CG1 3.67Å; L39-I241 HydrophobicContact CD2-CD1 4.45Å; M40-I241 PolarHBondContact O-N 2.97Å; A41-I241 WeakPolarHBondContact CA-O 3.37Å; A41-I241 HydrophobicContact CB-CB 4.2Å; C42-I241 PolarHBondContact N-O 3.18Å; C42-I241 VanDerWaalsContact N-O 3.13Å; I241-I243 HydrophobicContact CG2-CD1 3.93Å; I241-I243 HydrophobicContact CG2-CG1 4.21Å |
| 242 | S | 74.6 | Confident | 75.2 | Confident | 52 Ų | 52 | 57 Ų | 57 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | trans | -113.3 | 131 | 168.4 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 243 | I | 65.5 | Low | 75.2 | Confident | 47 Ų | 47 | 53.6 Ų | 53.6 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | trans | -119.3 | 123 | 179.6 | -73.6 | 152.6 | 0 | 0 | 0 | 109.1 | D24 V25 Y28 I241 | D24-I243 VanDerWaalsContact C-CD1 3.42Å; D24-I243 HydrophobicContact CB-CD1 3.71Å; D24-I243 HydrophobicContact CB-CG1 4.25Å; D24-I243 HydrophobicContact CB-CG2 3.79Å; V25-I243 HydrophobicContact CB-CD1 3.69Å; V25-I243 HydrophobicContact CG1-CD1 4.45Å; V25-I243 HydrophobicContact CG2-CB 4.49Å; V25-I243 HydrophobicContact CG2-CD1 3.32Å; V25-I243 HydrophobicContact CG2-CG1 4.49Å; Y28-I243 HydrophobicContact CD2-CD1 4.16Å; I241-I243 HydrophobicContact CG2-CD1 3.93Å; I241-I243 HydrophobicContact CG2-CG1 4.21Å | ||
| 244 | G | 56 | Low | 75.2 | Confident | 61 Ų | 61 | 58.8 Ų | 58.8 | 63% | 0.629 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 65.9 | -178.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112 | T246 | G244-T246 PolarHBondContact O-N 2.95Š|
| 245 | A | 51 | Low | 75.1 | Confident | 63 Ų | 63 | 59.8 Ų | 59.8 | 52% | 0.521 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -73.7 | 110.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | G247 T248 | A245-G247 PolarHBondContact O-N 2.86Å; A245-T248 HydrophobicContact CB-CG2 3.43Å; A245-T248 VanDerWaalsContact CB-CG2 3.43Å; A245-T248 WeakPolarHBondContact O-CB 3.26Å; A245-T248 PolarHBondContact O-N 3.28Å; A245-T248 PolarHBondContact O-OG1 3.04Å |
| 246 | T | 47.2 | Very low | 75 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 32% | 0.319 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 129 | 172.3 | 32.5 | 0 | 0 | 0 | 0 | 109.6 | C42 G244 | C42-T246 HydrophobicContact CB-CG2 4.2Å; G244-T246 PolarHBondContact O-N 2.95Å |
| 247 | G | 51.1 | Low | 75.4 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 8.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A245 V385 | A245-G247 PolarHBondContact O-N 2.86Å; G247-V385 WeakPolarHBondContact O-CG2 3.24Å |
| 248 | T | 60.2 | Low | 75.6 | Confident | 59 Ų | 59 | 56.8 Ų | 56.8 | 36% | 0.362 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 146.8 | 173 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | A245 P250 | A245-T248 HydrophobicContact CB-CG2 3.43Å; A245-T248 VanDerWaalsContact CB-CG2 3.43Å; A245-T248 WeakPolarHBondContact O-CB 3.26Å; A245-T248 PolarHBondContact O-N 3.28Å; A245-T248 PolarHBondContact O-OG1 3.04Å; T248-P250 WeakPolarHBondContact O-CD 3.3Å |
| 249 | I | 67.7 | Low | 75.8 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 124.8 | 177.6 | -52.9 | 177.6 | 0 | 0 | 0 | 108.9 | K251 I253 Q255 Y384 V385 I388 V418 T422 | I249-K251 PolarHBondContact O-N 2.97Å; I249-I253 HydrophobicContact CG2-CB 4.5Å; I249-Q255 VanDerWaalsContact CD1-NE2 3.3Å; I249-Y384 HydrophobicContact CD1-CD1 4.47Å; I249-Y384 HydrophobicContact CD1-CE1 3.92Å; I249-V385 HydrophobicContact CG1-CG2 4.1Å; I249-I388 HydrophobicContact CB-CD1 4.22Å; I249-I388 HydrophobicContact CD1-CD1 3.69Å; I249-I388 HydrophobicContact CG1-CD1 3.81Å; I249-I388 HydrophobicContact CG2-CD1 3.46Å; I249-I388 VanDerWaalsContact CG2-CD1 3.46Å; I249-I388 HydrophobicContact CG2-CG1 4.45Å; I249-V418 HydrophobicContact CD1-CB 4.49Å; I249-V418 HydrophobicContact CD1-CG1 3.35Å; I249-V418 HydrophobicContact CG1-CG1 3.48Å; I249-V418 VanDerWaalsContact CG1-CG1 3.48Å; I249-T422 HydrophobicContact CB-CG2 4.07Å |
| 250 | P | 67 | Low | 76 | Confident | 58 Ų | 58 | 57.6 Ų | 57.6 | 38% | 0.377 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 131.2 | 173.7 | -24.6 | 32.1 | 0 | 0 | 0 | 111.7 | T248 T252 I253 | T248-P250 WeakPolarHBondContact O-CD 3.3Å; P250-T252 PolarHBondContact O-N 2.67Å; P250-I253 HydrophobicContact CB-CD1 4.17Å; P250-I253 HydrophobicContact CB-CG1 4.29Å; P250-I253 HydrophobicContact CG-CD1 4Å; P250-I253 PolarHBondContact O-N 2.84Å |
| 251 | K | 74.6 | Confident | 76.4 | Confident | 185 Ų | 185 | 55.1 Ų | 55.1 | 80% | 0.804 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.7 | 177.4 | -66.9 | -175.4 | 177.9 | -178.4 | 0 | 113.8 | I249 I253 | I249-K251 PolarHBondContact O-N 2.97Å; K251-I253 PolarHBondContact O-N 2.98Å |
| 252 | T | 79.2 | Confident | 76.8 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -11.4 | 177.4 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | P250 G392 Q397 G398 | P250-T252 PolarHBondContact O-N 2.67Å; T252-G392 PolarHBondContact OG1-O 3.24Å; T252-Q397 WeakPolarHBondContact O-CA 3.19Å; T252-G398 PolarHBondContact O-N 3.13Å |
| 253 | I | 85.7 | Confident | 77.7 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 109.4 | -178.3 | -57.3 | 173.8 | 0 | 0 | 0 | 109.2 | I249 P250 K251 Q255 I388 T391 G398 A400 H424 | I249-I253 HydrophobicContact CG2-CB 4.5Å; P250-I253 HydrophobicContact CB-CD1 4.17Å; P250-I253 HydrophobicContact CB-CG1 4.29Å; P250-I253 HydrophobicContact CG-CD1 4Å; P250-I253 PolarHBondContact O-N 2.84Å; K251-I253 PolarHBondContact O-N 2.98Å; I253-Q255 HydrophobicContact CG2-CG 4.17Å; I253-Q255 PolarHBondContact O-N 3.03Å; I253-I388 WeakPolarHBondContact CD1-O 3.44Å; I253-T391 HydrophobicContact CD1-CG2 4.27Å; I253-T391 HydrophobicContact CG1-CG2 4.2Å; I253-T391 HydrophobicContact CG2-CG2 3.89Å; I253-G398 CarbonylContact C-O 3.54Å; I253-G398 WeakPolarHBondContact CA-O 3.39Å; I253-A400 HydrophobicContact CG2-CB 3.67Å; I253-H424 PolarHBondContact O-NE2 2.81Å |
| 254 | K | 88.5 | Confident | 79.2 | Confident | 114 Ų | 114 | 63.4 Ų | 63.4 | 50% | 0.496 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 129.7 | 166.6 | -176.5 | 176.3 | -178.7 | 177.5 | 0 | 108.8 | L278 G398 L399 A400 | K254-L278 HydrophobicContact CD-CD2 4.43Å; K254-G398 PolarHBondContact N-O 2.99Å; K254-L399 HydrophobicContact CB-CD1 4.14Å; K254-L399 HydrophobicContact CD-CD1 4.26Å; K254-L399 HydrophobicContact CG-CD1 4.11Å; K254-L399 CarbonylContact O-C 3.45Å; K254-L399 WeakPolarHBondContact O-CA 3.43Å; K254-A400 PolarHBondContact O-N 3.31Å |
| 255 | Q | 90.2 | Very high | 81.1 | Confident | 23 Ų | 23 | 60.6 Ų | 60.6 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 140 | -179.1 | -62.8 | -174.9 | 84.2 | 0 | 0 | 111.4 | I249 I253 Y384 A400 H424 | I249-Q255 VanDerWaalsContact CD1-NE2 3.3Å; I253-Q255 HydrophobicContact CG2-CG 4.17Å; I253-Q255 PolarHBondContact O-N 3.03Å; Q255-Y384 PolarHBondContact OE1-OH 3.11Å; Q255-A400 CarbonylContact C-O 3.37Å; Q255-A400 WeakPolarHBondContact CA-O 3.38Å; Q255-A400 HydrophobicContact CG-CB 4.43Å; Q255-H424 PolarHBondContact NE2-CD2 3.42Å; Q255-H424 PolarHBondContact NE2-CE1 2.89Å; Q255-H424 VanDerWaalsContact NE2-CE1 3.31Å; Q255-H424 PolarHBondContact NE2-ND1 3.09Å; Q255-H424 PolarHBondContact NE2-NE2 2.93Å |
| 256 | Q | 90.8 | Very high | 83.3 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 34% | 0.341 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126.9 | 173.8 | -70.6 | 179.8 | -34.6 | 0 | 0 | 108.6 | L399 A400 T401 S402 | Q256-L399 HydrophobicContact CG-CD1 4.23Å; Q256-A400 PolarHBondContact N-O 3.22Å; Q256-T401 HydrophobicContact CB-CG2 4.19Å; Q256-T401 CarbonylContact O-C 3.43Å; Q256-T401 VanDerWaalsContact O-CA 3.24Å; Q256-T401 WeakPolarHBondContact O-CA 3.3Å; Q256-T401 PolarHBondContact OE1-OG1 2.91Å; Q256-S402 PolarHBondContact O-N 3.2Å |
| 257 | L | 93.7 | Very high | 85.6 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.4 | 174 | -64 | 84 | 0 | 0 | 0 | 108.2 | S402 L415 L419 P427 F429 L430 | L257-S402 WeakPolarHBondContact CA-O 3.19Å; L257-L415 HydrophobicContact CD2-CD2 3.54Å; L257-L415 HydrophobicContact CD2-CG 4.11Å; L257-L419 HydrophobicContact CD1-CD1 3.9Å; L257-L419 HydrophobicContact CD1-CD2 4.28Å; L257-L419 HydrophobicContact CD2-CD1 4.08Å; L257-P427 HydrophobicContact CB-CG 3.89Å; L257-P427 HydrophobicContact CD1-CG 4.39Å; L257-F429 HydrophobicContact CB-CZ 3.89Å; L257-L430 HydrophobicContact CD2-CD1 3.95Å |
| 258 | M | 93.4 | Very high | 87.7 | Confident | 73 Ų | 73 | 62 Ų | 62 | 36% | 0.36 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126.3 | -176.6 | -63.2 | 174.9 | 68.7 | 0 | 0 | 108.8 | V260 L272 T401 S402 L403 C404 | M258-V260 HydrophobicContact CB-CG2 4.04Å; M258-V260 PolarHBondContact O-N 3.13Å; M258-L272 HydrophobicContact SD-CD1 4.2Å; M258-T401 HydrophobicContact CG-CG2 4.22Å; M258-T401 HydrophobicContact SD-CG2 3.67Å; M258-S402 PolarHBondContact N-O 3.45Å; M258-L403 HydrophobicContact CB-CD2 4.12Å; M258-L403 WeakPolarHBondContact O-CA 3.34Å; M258-L403 HydrophobicContact SD-CD2 4.37Å; M258-C404 PolarHBondContact O-N 3.46Å |
| 259 | W | 95 | Very high | 89.4 | Confident | 109 Ų | 109 | 59.2 Ų | 59.2 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 118.7 | 169.8 | -171.9 | -87.2 | 0 | 0 | 0 | 109.2 | C404 N405 E406 F412 F429 | W259-C404 CarbonylContact C-O 3.57Å; W259-C404 WeakPolarHBondContact CA-O 3.02Å; W259-C404 HydrophobicContact CE3-CB 4.44Å; W259-N405 VanDerWaalsContact CH2-C 3.4Å; W259-E406 HydrophobicContact CH2-CB 4.26Å; W259-E406 VanDerWaalsContact CH2-N 3.27Å; W259-E406 HydrophobicContact CZ2-CB 4.35Å; W259-F412 HydrophobicContact CZ3-CE2 4.06Å; W259-F412 AromaticContact CZ3-CZ 3.97Å; W259-F412 HydrophobicContact CZ3-CZ 3.97Å; W259-F429 HydrophobicContact CB-CD1 4.28Å; W259-F429 HydrophobicContact CB-CE1 4.32Å; W259-F429 HydrophobicContact CE3-CB 4.14Å; W259-F429 HydrophobicContact CE3-CD1 4.42Å; W259-F429 AromaticContact CE3-CD2 3.72Å; W259-F429 HydrophobicContact CE3-CD2 3.72Å; W259-F429 HydrophobicContact CE3-CE2 4.19Å; W259-F429 AromaticContact CE3-CG 3.86Å; W259-F429 HydrophobicContact CE3-CG 3.86Å; W259-F429 HydrophobicContact CZ3-CD2 4.07Å; W259-F429 HydrophobicContact CZ3-CG 4.46Å |
| 260 | V | 95.5 | Very high | 90.6 | Very high | 9 Ų | 9 | 60.2 Ų | 60.2 | 6% | 0.055 | 30% | 0.302 | C | S | . | . | trans | -143.8 | 121.3 | -178.2 | -173 | 0 | 0 | 0 | 0 | 109.6 | M258 E264 K265 A268 L403 C404 N405 | M258-V260 HydrophobicContact CB-CG2 4.04Å; M258-V260 PolarHBondContact O-N 3.13Å; V260-E264 HydrophobicContact CG1-CB 3.92Å; V260-K265 HydrophobicContact CB-CG 4.14Å; V260-K265 HydrophobicContact CG1-CB 4.3Å; V260-K265 HydrophobicContact CG1-CG 3.77Å; V260-A268 HydrophobicContact CG1-CB 3.74Å; V260-A268 HydrophobicContact CG2-CB 4.11Å; V260-L403 HydrophobicContact CG2-CD2 4.02Å; V260-C404 PolarHBondContact N-O 3.09Å; V260-N405 WeakPolarHBondContact O-CB 3.48Å | ||
| 261 | V | 93.7 | Very high | 91.8 | Very high | 52 Ų | 52 | 63.4 Ų | 63.4 | 32% | 0.315 | 31% | 0.31 | S | S | . | . | trans | -65.9 | 147.4 | 177.8 | -168.4 | 0 | 0 | 0 | 0 | 109.6 | N263 E264 K265 | V261-N263 VanDerWaalsContact C-N 3.27Å; V261-N263 VanDerWaalsContact CG1-OD1 3.26Å; V261-N263 WeakPolarHBondContact CG1-OD1 3.17Å; V261-N263 PolarHBondContact O-N 3.04Å; V261-N263 VanDerWaalsContact O-N 3.12Å; V261-E264 PolarHBondContact O-N 3.05Å; V261-K265 PolarHBondContact O-N 3.19Å | ||
| 262 | E | 92.6 | Very high | 92.6 | Very high | 70 Ų | 70 | 55.3 Ų | 55.3 | 33% | 0.327 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -38.3 | -168 | -168.9 | 63 | -153.6 | 0 | 0 | 114.3 | E264 K265 K296 N405 | E262-E264 VanDerWaalsContact C-N 3.33Å; E262-K265 IonicContact OE1-NZ 2.67Å; E262-K265 VanDerWaalsContact OE2-CE 3.3Å; E262-K265 WeakPolarHBondContact OE2-CE 3.41Å; E262-K265 IonicContact OE2-NZ 3.67Å; E262-K265 PolarHBondContact OE2-NZ 3.18Å; E262-K296 IonicContact OE1-NZ 3.82Å; E262-K296 PolarHBondContact OE1-NZ 3.32Å; E262-N405 PolarHBondContact OE2-ND2 3.48Å |
| 263 | N | 94.3 | Very high | 93.1 | Very high | 120 Ų | 120 | 53 Ų | 53 | 64% | 0.642 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -23.2 | 178.7 | 62.6 | -45.7 | 0 | 0 | 0 | 113.8 | V261 P266 | V261-N263 VanDerWaalsContact C-N 3.27Å; V261-N263 VanDerWaalsContact CG1-OD1 3.26Å; V261-N263 WeakPolarHBondContact CG1-OD1 3.17Å; V261-N263 PolarHBondContact O-N 3.04Å; V261-N263 VanDerWaalsContact O-N 3.12Å; N263-P266 WeakPolarHBondContact O-CD 3.45Å |
| 264 | E | 95.9 | Very high | 93.2 | Very high | 102 Ų | 102 | 56.3 Ų | 56.3 | 48% | 0.477 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -14.6 | -179.3 | -63.1 | 177.1 | 170.3 | 0 | 0 | 112.6 | V260 V261 E262 P266 D267 A268 | V260-E264 HydrophobicContact CG1-CB 3.92Å; V261-E264 PolarHBondContact O-N 3.05Å; E262-E264 VanDerWaalsContact C-N 3.33Å; E264-P266 VanDerWaalsContact C-N 3.34Å; E264-D267 PolarHBondContact O-N 3.36Å; E264-D267 VanDerWaalsContact O-N 3.15Å; E264-A268 WeakPolarHBondContact O-CB 3.45Å; E264-A268 PolarHBondContact O-N 3.49Å |
| 265 | K | 97 | Very high | 92.6 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.1 | -38.4 | -179.8 | -73.5 | -175.7 | 172.4 | 171.4 | 0 | 114.5 | V260 V261 E262 A268 L269 Y375 D376 L403 N405 | V260-K265 HydrophobicContact CB-CG 4.14Å; V260-K265 HydrophobicContact CG1-CB 4.3Å; V260-K265 HydrophobicContact CG1-CG 3.77Å; V261-K265 PolarHBondContact O-N 3.19Å; E262-K265 IonicContact OE1-NZ 2.67Å; E262-K265 VanDerWaalsContact OE2-CE 3.3Å; E262-K265 WeakPolarHBondContact OE2-CE 3.41Å; E262-K265 IonicContact OE2-NZ 3.67Å; E262-K265 PolarHBondContact OE2-NZ 3.18Å; K265-A268 PolarHBondContact O-N 2.66Å; K265-L269 WeakPolarHBondContact O-CB 3.14Å; K265-L269 PolarHBondContact O-N 3.49Å; K265-Y375 HydrophobicContact CB-CD2 4.5Å; K265-Y375 HydrophobicContact CB-CE1 3.89Å; K265-Y375 HydrophobicContact CB-CE2 3.68Å; K265-Y375 WeakPolarHBondContact CB-OH 3.44Å; K265-Y375 HydrophobicContact CD-CD1 4.18Å; K265-Y375 HydrophobicContact CD-CE1 3.69Å; K265-Y375 WeakPolarHBondContact CE-O 3.37Å; K265-Y375 HydrophobicContact CG-CE1 4.48Å; K265-Y375 PolarHBondContact NZ-O 3.39Å; K265-Y375 WeakPolarHBondContact O-CE2 3.42Å; K265-D376 IonicContact NZ-OD1 3.79Å; K265-D376 PolarHBondContact NZ-OD1 3.27Å; K265-L403 HydrophobicContact CB-CD1 4.14Å; K265-L403 HydrophobicContact CD-CD1 4.36Å; K265-L403 HydrophobicContact CG-CD1 4Å; K265-N405 PolarHBondContact NZ-ND2 2.91Å |
| 266 | P | 96.5 | Very high | 91.3 | Very high | 36 Ų | 36 | 58.1 Ų | 58.1 | 23% | 0.234 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 176.2 | -23.6 | 34.4 | 0 | 0 | 0 | 112.3 | N263 E264 L269 V270 L300 L303 Y375 | N263-P266 WeakPolarHBondContact O-CD 3.45Å; E264-P266 VanDerWaalsContact C-N 3.34Å; P266-L269 WeakPolarHBondContact O-CB 3.3Å; P266-L269 PolarHBondContact O-N 3.09Å; P266-V270 WeakPolarHBondContact O-CG2 3.4Å; P266-V270 PolarHBondContact O-N 2.92Å; P266-L300 HydrophobicContact CB-CD2 4.35Å; P266-L303 HydrophobicContact CB-CD2 3.84Å; P266-Y375 VanDerWaalsContact CD-OH 3.25Å; P266-Y375 WeakPolarHBondContact CD-OH 3.36Å; P266-Y375 WeakPolarHBondContact CG-OH 3.13Å |
| 267 | D | 95.4 | Very high | 89.5 | Confident | 118 Ų | 118 | 55.3 Ų | 55.3 | 63% | 0.631 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -70 | -40.1 | -179.4 | -63.8 | -29.7 | 0 | 0 | 0 | 111.3 | E264 L269 V270 K271 | E264-D267 PolarHBondContact O-N 3.36Å; E264-D267 VanDerWaalsContact O-N 3.15Å; D267-L269 VanDerWaalsContact C-N 3.29Å; D267-L269 PolarHBondContact O-N 2.92Å; D267-V270 PolarHBondContact O-N 3.41Å; D267-K271 WeakPolarHBondContact O-CB 3.38Å; D267-K271 PolarHBondContact O-N 3Å |
| 268 | A | 95.4 | Very high | 87.5 | Confident | 19 Ų | 19 | 57 Ų | 57 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | V260 E264 K265 L272 | V260-A268 HydrophobicContact CG1-CB 3.74Å; V260-A268 HydrophobicContact CG2-CB 4.11Å; E264-A268 WeakPolarHBondContact O-CB 3.45Å; E264-A268 PolarHBondContact O-N 3.49Å; K265-A268 PolarHBondContact O-N 2.66Å; A268-L272 VanDerWaalsContact O-CB 3.26Å; A268-L272 WeakPolarHBondContact O-CB 3.31Å; A268-L272 PolarHBondContact O-N 3.35Å |
| 269 | L | 95.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 174.7 | 177 | 66.8 | 0 | 0 | 0 | 111 | K265 P266 D267 K271 L272 L273 I289 L300 I373 Y375 | K265-L269 WeakPolarHBondContact O-CB 3.14Å; K265-L269 PolarHBondContact O-N 3.49Å; P266-L269 WeakPolarHBondContact O-CB 3.3Å; P266-L269 PolarHBondContact O-N 3.09Å; D267-L269 VanDerWaalsContact C-N 3.29Å; D267-L269 PolarHBondContact O-N 2.92Å; L269-K271 VanDerWaalsContact C-N 3.35Å; L269-K271 PolarHBondContact O-N 2.86Å; L269-L272 PolarHBondContact O-N 3.12Å; L269-L273 HydrophobicContact CD1-CD1 4.24Å; L269-L273 HydrophobicContact CD1-CG 4.25Å; L269-L273 HydrophobicContact CG-CD1 4.1Å; L269-L273 HydrophobicContact CG-CG 4.47Å; L269-L273 VanDerWaalsContact O-CG 3.24Å; L269-L273 WeakPolarHBondContact O-CG 2.96Å; L269-L273 PolarHBondContact O-N 3.29Å; L269-I289 HydrophobicContact CD1-CD1 3.9Å; L269-I289 HydrophobicContact CD1-CG1 4.38Å; L269-I289 HydrophobicContact CD1-CG2 4.43Å; L269-I289 HydrophobicContact CD2-CD1 4.23Å; L269-L300 HydrophobicContact CD2-CD1 4.35Å; L269-L300 HydrophobicContact CD2-CD2 4.21Å; L269-I373 HydrophobicContact CD1-CD1 4.12Å; L269-I373 HydrophobicContact CD1-CG2 4.12Å; L269-Y375 HydrophobicContact CB-CD2 4.1Å; L269-Y375 HydrophobicContact CB-CE2 4.07Å; L269-Y375 HydrophobicContact CD1-CD2 4.47Å; L269-Y375 HydrophobicContact CD2-CD2 3.87Å; L269-Y375 HydrophobicContact CD2-CE2 4.06Å; L269-Y375 HydrophobicContact CG-CD2 4.36Å |
| 270 | V | 93.7 | Very high | 83 | Confident | 25 Ų | 25 | 56.9 Ų | 56.9 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 178.6 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | P266 D267 L272 L273 D274 L303 L304 T308 | P266-V270 WeakPolarHBondContact O-CG2 3.4Å; P266-V270 PolarHBondContact O-N 2.92Å; D267-V270 PolarHBondContact O-N 3.41Å; V270-L272 PolarHBondContact O-N 3.1Å; V270-L273 PolarHBondContact O-N 2.95Å; V270-L273 VanDerWaalsContact O-N 3.12Å; V270-D274 WeakPolarHBondContact O-CB 3.36Å; V270-D274 PolarHBondContact O-N 3.18Å; V270-L303 HydrophobicContact CG2-CD2 4.47Å; V270-L304 HydrophobicContact CG2-CD2 4.16Å; V270-T308 HydrophobicContact CG1-CG2 3.85Å; V270-T308 HydrophobicContact CG2-CG2 3.81Å |
| 271 | K | 91.9 | Very high | 80.7 | Confident | 126 Ų | 126 | 63.3 Ų | 63.3 | 55% | 0.548 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.1 | -47.3 | 176.1 | -176.3 | 177.1 | 176.6 | 179.5 | 0 | 112.1 | D267 L269 L273 D274 E275 | D267-K271 WeakPolarHBondContact O-CB 3.38Å; D267-K271 PolarHBondContact O-N 3Å; L269-K271 VanDerWaalsContact C-N 3.35Å; L269-K271 PolarHBondContact O-N 2.86Å; K271-L273 VanDerWaalsContact C-N 3.26Å; K271-L273 PolarHBondContact O-N 3.37Å; K271-D274 PolarHBondContact O-N 2.83Å; K271-E275 WeakPolarHBondContact CE-OE1 3.25Å; K271-E275 HydrophobicContact CG-CG 4.28Å; K271-E275 IonicContact NZ-OE1 3.87Å; K271-E275 WeakPolarHBondContact O-CG 3.32Å; K271-E275 PolarHBondContact O-N 2.91Å |
| 272 | L | 91.1 | Very high | 79 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 7% | 0.073 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.4 | -37.2 | 177.6 | -174.8 | 73.8 | 0 | 0 | 0 | 112.2 | M258 A268 L269 V270 S277 I373 T401 | M258-L272 HydrophobicContact SD-CD1 4.2Å; A268-L272 VanDerWaalsContact O-CB 3.26Å; A268-L272 WeakPolarHBondContact O-CB 3.31Å; A268-L272 PolarHBondContact O-N 3.35Å; L269-L272 PolarHBondContact O-N 3.12Å; V270-L272 PolarHBondContact O-N 3.1Å; L272-S277 PolarHBondContact O-OG 3.06Å; L272-S277 VanDerWaalsContact O-OG 3.04Å; L272-I373 HydrophobicContact CD2-CD1 3.65Å; L272-I373 HydrophobicContact CD2-CG1 3.79Å; L272-I373 HydrophobicContact CD2-CG2 3.97Å; L272-I373 HydrophobicContact CG-CD1 4.5Å; L272-T401 HydrophobicContact CD1-CG2 4Å; L272-T401 HydrophobicContact CD2-CG2 3.84Å |
| 273 | L | 90.2 | Very high | 77.4 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -75.6 | -32.5 | 178.4 | -66.8 | 175.8 | 0 | 0 | 0 | 112.8 | L269 V270 K271 K287 I289 L304 H310 I373 | L269-L273 HydrophobicContact CD1-CD1 4.24Å; L269-L273 HydrophobicContact CD1-CG 4.25Å; L269-L273 HydrophobicContact CG-CD1 4.1Å; L269-L273 HydrophobicContact CG-CG 4.47Å; L269-L273 VanDerWaalsContact O-CG 3.24Å; L269-L273 WeakPolarHBondContact O-CG 2.96Å; L269-L273 PolarHBondContact O-N 3.29Å; V270-L273 PolarHBondContact O-N 2.95Å; V270-L273 VanDerWaalsContact O-N 3.12Å; K271-L273 VanDerWaalsContact C-N 3.26Å; K271-L273 PolarHBondContact O-N 3.37Å; L273-K287 HydrophobicContact CD2-CD 3.38Å; L273-K287 PolarHBondContact O-NZ 3.17Å; L273-I289 HydrophobicContact CD1-CD1 4.45Å; L273-L304 HydrophobicContact CD1-CD1 3.87Å; L273-L304 HydrophobicContact CD1-CD2 3.6Å; L273-L304 HydrophobicContact CD1-CG 4.41Å; L273-H310 VanDerWaalsContact C-CE1 3.5Å; L273-H310 WeakPolarHBondContact CB-NE2 3.33Å; L273-H310 PolarHBondContact O-CE1 3.48Å; L273-I373 HydrophobicContact CD2-CD1 3.91Å |
| 274 | D | 86.6 | Confident | 76.3 | Confident | 71 Ų | 71 | 67.6 Ų | 67.6 | 38% | 0.38 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -76.4 | -40.8 | -179.7 | -80.8 | -22.7 | 0 | 0 | 0 | 113.6 | V270 K271 G276 K309 H310 | V270-D274 WeakPolarHBondContact O-CB 3.36Å; V270-D274 PolarHBondContact O-N 3.18Å; K271-D274 PolarHBondContact O-N 2.83Å; D274-G276 PolarHBondContact O-N 3.39Å; D274-G276 VanDerWaalsContact O-N 3.08Å; D274-K309 WeakPolarHBondContact OD1-CE 3.26Å; D274-K309 IonicContact OD1-NZ 3.82Å; D274-H310 IonicContact OD1-CD2 3.27Å; D274-H310 IonicContact OD1-CE1 3.82Å; D274-H310 IonicContact OD1-NE2 2.74Å; D274-H310 PolarHBondContact OD1-NE2 3.04Å |
| 275 | E | 77.3 | Confident | 75.6 | Confident | 134 Ų | 134 | 63.1 Ų | 63.1 | 63% | 0.626 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -67.6 | -7.3 | -175.8 | -74.4 | 178 | 167.2 | 0 | 0 | 113.8 | K271 | K271-E275 WeakPolarHBondContact CE-OE1 3.25Å; K271-E275 HydrophobicContact CG-CG 4.28Å; K271-E275 IonicContact NZ-OE1 3.87Å; K271-E275 WeakPolarHBondContact O-CG 3.32Å; K271-E275 PolarHBondContact O-N 2.91Å |
| 276 | G | 62.3 | Low | 75.2 | Confident | 41 Ų | 41 | 65.3 Ų | 65.3 | 42% | 0.423 | 37% | 0.365 | S | S | . | . | trans | 67.4 | 88.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | D274 L278 | D274-G276 PolarHBondContact O-N 3.39Å; D274-G276 VanDerWaalsContact O-N 3.08Å; G276-L278 PolarHBondContact O-N 3.3Å; G276-L278 VanDerWaalsContact O-O 3.1Å | ||
| 277 | S | 52.9 | Low | 74.9 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 10% | 0.098 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -67.2 | 103.7 | -174.2 | -31.6 | 0 | 0 | 0 | 0 | 110.1 | L272 L280 H371 L399 | L272-S277 PolarHBondContact O-OG 3.06Å; L272-S277 VanDerWaalsContact O-OG 3.04Å; S277-L280 WeakPolarHBondContact O-CD1 3.32Å; S277-L280 WeakPolarHBondContact O-CG 3.15Å; S277-H371 VanDerWaalsContact CB-CE1 3.41Å; S277-H371 WeakPolarHBondContact CB-CE1 3.5Å; S277-H371 VanDerWaalsContact CB-ND1 3.34Å; S277-H371 WeakPolarHBondContact CB-ND1 3.3Å; S277-H371 PolarHBondContact OG-CE1 3.42Å; S277-H371 PolarHBondContact OG-ND1 3.22Å; S277-H371 VanDerWaalsContact OG-ND1 3.1Å; S277-L399 VanDerWaalsContact CB-CD2 3.42Å |
| 278 | L | 51.6 | Low | 74.7 | Confident | 59 Ų | 59 | 59 Ų | 59 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 82.7 | 153.6 | -168 | -60.7 | 161.1 | 0 | 0 | 0 | 113.6 | K254 G276 L280 L399 | K254-L278 HydrophobicContact CD-CD2 4.43Å; G276-L278 PolarHBondContact O-N 3.3Å; G276-L278 VanDerWaalsContact O-O 3.1Å; L278-L280 HydrophobicContact CB-CD2 4.08Å; L278-L280 HydrophobicContact CB-CG 3.95Å; L278-L280 PolarHBondContact O-N 3.47Å; L278-L399 HydrophobicContact CD1-CB 3.87Å; L278-L399 HydrophobicContact CD1-CD2 4.35Å; L278-L399 HydrophobicContact CG-CD2 4.23Å |
| 279 | P | 45.7 | Very low | 74.6 | Confident | 124 Ų | 124 | 58.1 Ų | 58.1 | 81% | 0.805 | 32% | 0.321 | S | S | * | . | trans | -65.9 | 71 | 163.6 | 29.6 | -33.6 | 0 | 0 | 0 | 108.5 | T281 | P279-T281 PolarHBondContact O-N 2.89Å; P279-T281 VanDerWaalsContact O-N 3.13Å | ||
| 280 | L | 47.5 | Very low | 74.5 | Confident | 55 Ų | 55 | 58.1 Ų | 58.1 | 29% | 0.288 | 32% | 0.321 | S | S | . | . | trans | -76.4 | 99.4 | 171.5 | -61.9 | 166.9 | 0 | 0 | 0 | 103.9 | S277 L278 E282 V285 | S277-L280 WeakPolarHBondContact O-CD1 3.32Å; S277-L280 WeakPolarHBondContact O-CG 3.15Å; L278-L280 HydrophobicContact CB-CD2 4.08Å; L278-L280 HydrophobicContact CB-CG 3.95Å; L278-L280 PolarHBondContact O-N 3.47Å; L280-E282 PolarHBondContact O-N 3.42Å; L280-V285 HydrophobicContact CB-CG2 3.86Å; L280-V285 HydrophobicContact CD1-CB 3.79Å; L280-V285 HydrophobicContact CD1-CG1 3.74Å; L280-V285 HydrophobicContact CD1-CG2 3.54Å; L280-V285 HydrophobicContact CD2-CG2 4.07Å; L280-V285 HydrophobicContact CG-CG2 4Å | ||
| 281 | T | 47.7 | Very low | 74.5 | Confident | 143 Ų | 143 | 56.9 Ų | 56.9 | 88% | 0.877 | 31% | 0.314 | S | S | * | . | trans | -56.1 | -13.4 | 166.7 | 50.2 | 0 | 0 | 0 | 0 | 111.9 | P279 | P279-T281 PolarHBondContact O-N 2.89Å; P279-T281 VanDerWaalsContact O-N 3.13Å | ||
| 282 | E | 57.6 | Low | 74.3 | Confident | 103 Ų | 103 | 56 Ų | 56 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | trans | -90.2 | 110.4 | -179.8 | -68.2 | 172.3 | -168.9 | 0 | 0 | 111.7 | L280 N284 V285 | L280-E282 PolarHBondContact O-N 3.42Å; E282-N284 PolarHBondContact O-N 2.63Å; E282-V285 HydrophobicContact CB-CG2 3.86Å; E282-V285 WeakPolarHBondContact O-CG2 3.5Å | ||
| 283 | T | 59.6 | Low | 74.1 | Confident | 141 Ų | 141 | 57.9 Ų | 57.9 | 87% | 0.865 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 123.2 | 157 | 56.3 | 0 | 0 | 0 | 0 | 107.6 | ||
| 284 | N | 70.8 | Confident | 73.9 | Confident | 89 Ų | 89 | 59.3 Ų | 59.3 | 48% | 0.476 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | 39.3 | -178.6 | -153.1 | 24.9 | 0 | 0 | 0 | 117.3 | E282 G334 N337 | E282-N284 PolarHBondContact O-N 2.63Å; N284-G334 PolarHBondContact ND2-O 3.22Å; N284-N337 WeakPolarHBondContact OD1-CB 3.32Å; N284-N337 PolarHBondContact OD1-ND2 3.42Å |
| 285 | V | 81.7 | Confident | 74.1 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 5% | 0.048 | 34% | 0.343 | C | S | . | . | trans | -73.1 | 130.7 | 171 | 173.5 | 0 | 0 | 0 | 0 | 112.5 | L280 E282 K370 | L280-V285 HydrophobicContact CB-CG2 3.86Å; L280-V285 HydrophobicContact CD1-CB 3.79Å; L280-V285 HydrophobicContact CD1-CG1 3.74Å; L280-V285 HydrophobicContact CD1-CG2 3.54Å; L280-V285 HydrophobicContact CD2-CG2 4.07Å; L280-V285 HydrophobicContact CG-CG2 4Å; E282-V285 HydrophobicContact CB-CG2 3.86Å; E282-V285 WeakPolarHBondContact O-CG2 3.5Å; V285-K370 HydrophobicContact CG1-CB 3.4Å; V285-K370 HydrophobicContact CG1-CG 3.64Å | ||
| 286 | R | 87.4 | Confident | 74.9 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 18% | 0.181 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 131.8 | 177.5 | -63.7 | 176 | -168.6 | 153.1 | 1.5 | 111.9 | F331 R332 N337 P367 K370 H371 | R286-F331 HydrophobicContact CB-CE1 4.43Å; R286-F331 HydrophobicContact CB-CE2 4.09Å; R286-F331 HydrophobicContact CB-CZ 3.76Å; R286-F331 HydrophobicContact CG-CE2 4.49Å; R286-F331 HydrophobicContact CG-CZ 4.43Å; R286-F331 PolarHBondContact NE-O 2.87Å; R286-R332 PolarHBondContact NH1-O 2.68Å; R286-R332 PolarHBondContact NH2-O 3.19Å; R286-N337 CarbonylContact C-O 3.58Å; R286-N337 WeakPolarHBondContact CA-O 3.46Å; R286-P367 PolarHBondContact NH1-O 3.1Å; R286-P367 VanDerWaalsContact NH1-O 3.14Å; R286-K370 PolarHBondContact O-N 3.19Å; R286-K370 VanDerWaalsContact O-N 3.09Å; R286-H371 PolarHBondContact O-N 2.81Å |
| 287 | K | 90.5 | Very high | 76.3 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.5 | -174.8 | -51.1 | 175.1 | -169.8 | 168.1 | 0 | 110 | L273 F331 N337 T338 L339 H371 | L273-K287 HydrophobicContact CD2-CD 3.38Å; L273-K287 PolarHBondContact O-NZ 3.17Å; K287-F331 VanDerWaalsContact O-CE2 3.28Å; K287-F331 WeakPolarHBondContact O-CE2 3.14Å; K287-F331 WeakPolarHBondContact O-CZ 3.17Å; K287-N337 PolarHBondContact N-O 3.38Å; K287-T338 WeakPolarHBondContact O-CA 3.4Å; K287-L339 PolarHBondContact O-N 3.32Å; K287-H371 CarbonylContact C-O 3.55Å; K287-H371 VanDerWaalsContact CA-O 3.3Å; K287-H371 WeakPolarHBondContact CA-O 3.43Å; K287-H371 HydrophobicContact CG-CB 4.35Å |
| 288 | L | 92.1 | Very high | 78.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 118.7 | 178.2 | 178.5 | 56.5 | 0 | 0 | 0 | 109.8 | F290 L339 A341 I366 V369 H371 V372 I373 R390 | L288-F290 HydrophobicContact CD1-CE1 4.33Å; L288-F290 HydrophobicContact CD1-CZ 4.38Å; L288-F290 HydrophobicContact CD2-CE1 4.1Å; L288-F290 HydrophobicContact CD2-CE2 3.89Å; L288-F290 HydrophobicContact CD2-CZ 3.4Å; L288-F290 VanDerWaalsContact CD2-CZ 3.4Å; L288-F290 HydrophobicContact CG-CE1 4.14Å; L288-F290 HydrophobicContact CG-CE2 3.98Å; L288-F290 HydrophobicContact CG-CZ 3.73Å; L288-L339 WeakPolarHBondContact CA-O 3.48Å; L288-L339 HydrophobicContact CD1-CB 4.06Å; L288-L339 HydrophobicContact CD1-CD2 3.86Å; L288-L339 HydrophobicContact CD1-CG 3.84Å; L288-A341 HydrophobicContact CD1-CB 3.8Å; L288-I366 HydrophobicContact CD2-CD1 4.19Å; L288-V369 HydrophobicContact CB-CG1 3.72Å; L288-V369 HydrophobicContact CB-CG2 4.28Å; L288-H371 PolarHBondContact N-O 2.67Å; L288-V372 HydrophobicContact CB-CG2 4.49Å; L288-V372 CarbonylContact O-C 3.48Å; L288-V372 WeakPolarHBondContact O-CA 3.34Å; L288-I373 PolarHBondContact O-N 3.2Å; L288-R390 HydrophobicContact CD2-CB 3.98Å; L288-R390 HydrophobicContact CD2-CG 4.01Å |
| 289 | I | 93.9 | Very high | 80.4 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.1 | -176.2 | -55.8 | 165.7 | 0 | 0 | 0 | 109.2 | L269 L273 V291 L304 T338 L339 I340 A341 I373 | L269-I289 HydrophobicContact CD1-CD1 3.9Å; L269-I289 HydrophobicContact CD1-CG1 4.38Å; L269-I289 HydrophobicContact CD1-CG2 4.43Å; L269-I289 HydrophobicContact CD2-CD1 4.23Å; L273-I289 HydrophobicContact CD1-CD1 4.45Å; I289-V291 HydrophobicContact CG2-CG1 4.39Å; I289-L304 HydrophobicContact CD1-CD1 4.36Å; I289-T338 HydrophobicContact CD1-CG2 3.42Å; I289-T338 VanDerWaalsContact CD1-CG2 3.42Å; I289-T338 HydrophobicContact CG1-CG2 4.25Å; I289-L339 PolarHBondContact N-O 3.26Å; I289-I340 HydrophobicContact CB-CG1 4.06Å; I289-I340 HydrophobicContact CD1-CG1 3.94Å; I289-I340 CarbonylContact O-C 3.57Å; I289-I340 WeakPolarHBondContact O-CA 3.46Å; I289-A341 PolarHBondContact O-N 2.9Å; I289-I373 CarbonylContact C-O 3.53Å; I289-I373 VanDerWaalsContact CA-O 3.29Å; I289-I373 WeakPolarHBondContact CA-O 3.3Å; I289-I373 HydrophobicContact CG1-CB 4.11Å; I289-I373 HydrophobicContact CG1-CD1 3.99Å; I289-I373 HydrophobicContact CG2-CB 4.43Å; I289-I373 HydrophobicContact CG2-CG2 4.43Å |
| 290 | F | 93.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.4 | 175.1 | -67.1 | -63.5 | 0 | 0 | 0 | 112 | L288 A341 S343 A361 V372 I373 Y375 D376 R387 R390 | L288-F290 HydrophobicContact CD1-CE1 4.33Å; L288-F290 HydrophobicContact CD1-CZ 4.38Å; L288-F290 HydrophobicContact CD2-CE1 4.1Å; L288-F290 HydrophobicContact CD2-CE2 3.89Å; L288-F290 HydrophobicContact CD2-CZ 3.4Å; L288-F290 VanDerWaalsContact CD2-CZ 3.4Å; L288-F290 HydrophobicContact CG-CE1 4.14Å; L288-F290 HydrophobicContact CG-CE2 3.98Å; L288-F290 HydrophobicContact CG-CZ 3.73Å; F290-A341 WeakPolarHBondContact CA-O 3.49Å; F290-A341 HydrophobicContact CD1-CB 3.68Å; F290-A341 HydrophobicContact CE1-CB 3.76Å; F290-S343 WeakPolarHBondContact CD1-OG 3.14Å; F290-A361 HydrophobicContact CD1-CB 3.87Å; F290-A361 VanDerWaalsContact CE1-CA 3.47Å; F290-A361 HydrophobicContact CE1-CB 3.16Å; F290-A361 HydrophobicContact CZ-CB 3.62Å; F290-V372 HydrophobicContact CD2-CG1 3.88Å; F290-V372 HydrophobicContact CE2-CG1 3.73Å; F290-I373 PolarHBondContact N-O 2.81Å; F290-Y375 WeakPolarHBondContact O-CA 3.28Å; F290-Y375 VanDerWaalsContact O-CB 3.32Å; F290-Y375 WeakPolarHBondContact O-CB 3.48Å; F290-Y375 PolarHBondContact O-N 2.78Å; F290-D376 PolarHBondContact O-N 3.33Å; F290-D376 VanDerWaalsContact O-N 3.12Å; F290-R387 HydrophobicContact CD1-CG 4.38Å; F290-R387 HydrophobicContact CD2-CB 3.68Å; F290-R387 HydrophobicContact CD2-CG 3.65Å; F290-R387 HydrophobicContact CE1-CG 4.45Å; F290-R387 HydrophobicContact CE2-CB 3.53Å; F290-R387 HydrophobicContact CE2-CG 3.69Å; F290-R387 HydrophobicContact CG-CB 4.5Å; F290-R387 HydrophobicContact CG-CG 3.99Å; F290-R387 HydrophobicContact CZ-CB 4.29Å; F290-R387 HydrophobicContact CZ-CG 4.08Å; F290-R390 HydrophobicContact CE2-CG 4.45Å; F290-R390 HydrophobicContact CZ-CG 4.15Å |
| 291 | V | 93.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 161.9 | 174.8 | -64 | 0 | 0 | 0 | 0 | 109.6 | I289 K296 A297 L300 I340 A341 T342 S343 Y375 D376 | I289-V291 HydrophobicContact CG2-CG1 4.39Å; V291-K296 HydrophobicContact CB-CD 4.33Å; V291-K296 HydrophobicContact CG1-CD 4.4Å; V291-A297 HydrophobicContact CG2-CB 3.6Å; V291-L300 HydrophobicContact CG1-CD1 3.72Å; V291-I340 HydrophobicContact CG1-CG2 4.08Å; V291-I340 HydrophobicContact CG2-CG2 3.77Å; V291-A341 PolarHBondContact N-O 3.38Å; V291-T342 HydrophobicContact CG2-CG2 4.04Å; V291-T342 VanDerWaalsContact O-CA 3.28Å; V291-T342 WeakPolarHBondContact O-CA 3.24Å; V291-S343 PolarHBondContact O-N 3.42Å; V291-S343 VanDerWaalsContact O-N 3.1Å; V291-Y375 HydrophobicContact CG1-CD1 4.01Å; V291-Y375 HydrophobicContact CG1-CG 4.03Å; V291-D376 WeakPolarHBondContact CA-OD2 3.44Å |
| 292 | E | 87 | Confident | 87.6 | Confident | 107 Ų | 107 | 49.1 Ų | 49.1 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -85.3 | -44.6 | -178.1 | -174.5 | 171.6 | -161.9 | 0 | 0 | 112.3 | D376 | E292-D376 HydrophobicContact CB-CB 4Å; E292-D376 PolarHBondContact N-OD2 3.31Å |
| 293 | T | 88 | Confident | 89.4 | Confident | 54 Ų | 54 | 45.9 Ų | 45.9 | 33% | 0.331 | 24% | 0.244 | S | C | . | . | trans | -110.3 | 145.5 | -171.5 | 76.2 | 0 | 0 | 0 | 0 | 113.1 | L295 K296 A297 T342 | T293-L295 VanDerWaalsContact C-N 3.28Å; T293-L295 PolarHBondContact O-N 3.25Å; T293-K296 PolarHBondContact O-N 2.63Å; T293-K296 WeakPolarHBondContact OG1-CB 3.29Å; T293-K296 PolarHBondContact OG1-N 3.01Å; T293-A297 PolarHBondContact O-N 3.03Å; T293-T342 VanDerWaalsContact C-CG2 3.49Å | ||
| 294 | K | 85.4 | Confident | 91.1 | Very high | 33 Ų | 33 | 39.2 Ų | 39.2 | 14% | 0.143 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -34.8 | 175.3 | 61.6 | -168.5 | -179.9 | -166.1 | 0 | 113 | A297 N298 H316 N318 T342 D348 | K294-A297 WeakPolarHBondContact O-CB 3.44Å; K294-A297 PolarHBondContact O-N 3.5Å; K294-N298 PolarHBondContact O-N 3.2Å; K294-N298 VanDerWaalsContact O-N 3.09Å; K294-N298 PolarHBondContact O-ND2 3.1Å; K294-H316 HydrophobicContact CB-CB 4.04Å; K294-N318 HydrophobicContact CD-CB 4.28Å; K294-N318 WeakPolarHBondContact CD-OD1 3.16Å; K294-N318 PolarHBondContact NZ-OD1 2.82Å; K294-T342 HydrophobicContact CB-CG2 4.35Å; K294-D348 WeakPolarHBondContact CE-OD2 3.28Å; K294-D348 IonicContact NZ-OD2 2.89Å; K294-D348 PolarHBondContact NZ-OD2 2.94Å |
| 295 | L | 91.2 | Very high | 92.3 | Very high | 126 Ų | 126 | 38.5 Ų | 38.5 | 66% | 0.66 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -63.4 | -51.1 | 175.8 | -70.4 | 174.7 | 0 | 0 | 0 | 110.2 | T293 A297 N298 S299 | T293-L295 VanDerWaalsContact C-N 3.28Å; T293-L295 PolarHBondContact O-N 3.25Å; L295-A297 VanDerWaalsContact C-N 3.29Å; L295-A297 PolarHBondContact O-N 3.09Å; L295-N298 PolarHBondContact O-N 3.29Å; L295-N298 VanDerWaalsContact O-N 3.14Å; L295-S299 PolarHBondContact O-N 3.43Å; L295-S299 PolarHBondContact O-OG 3.35Å; L295-S299 VanDerWaalsContact O-OG 3.11Å |
| 296 | K | 93.4 | Very high | 92.8 | Very high | 42 Ų | 42 | 47.3 Ų | 47.3 | 18% | 0.183 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.2 | -39.5 | 176.7 | -171.2 | -176.5 | -74.1 | -174.3 | 0 | 111.8 | E262 V291 T293 N298 S299 L300 Y375 D376 | E262-K296 IonicContact OE1-NZ 3.82Å; E262-K296 PolarHBondContact OE1-NZ 3.32Å; V291-K296 HydrophobicContact CB-CD 4.33Å; V291-K296 HydrophobicContact CG1-CD 4.4Å; T293-K296 PolarHBondContact O-N 2.63Å; T293-K296 WeakPolarHBondContact OG1-CB 3.29Å; T293-K296 PolarHBondContact OG1-N 3.01Å; K296-N298 VanDerWaalsContact C-N 3.34Å; K296-N298 PolarHBondContact O-N 3.02Å; K296-S299 PolarHBondContact O-N 3.3Å; K296-L300 HydrophobicContact CG-CD1 3.96Å; K296-L300 HydrophobicContact CG-CG 4.34Å; K296-L300 WeakPolarHBondContact O-CB 3.21Å; K296-L300 WeakPolarHBondContact O-CG 3.46Å; K296-L300 PolarHBondContact O-N 2.79Å; K296-Y375 HydrophobicContact CD-CD1 3.96Å; K296-Y375 HydrophobicContact CD-CE1 3.62Å; K296-Y375 HydrophobicContact CG-CE1 4.4Å; K296-D376 WeakPolarHBondContact CD-OD2 3.32Å; K296-D376 VanDerWaalsContact NZ-CG 3.28Å; K296-D376 IonicContact NZ-OD1 2.72Å; K296-D376 PolarHBondContact NZ-OD1 2.99Å; K296-D376 IonicContact NZ-OD2 2.82Å; K296-D376 PolarHBondContact NZ-OD2 3.4Å |
| 297 | A | 92.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.8 | -45.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V291 T293 K294 L295 T301 T314 I340 T342 | V291-A297 HydrophobicContact CG2-CB 3.6Å; T293-A297 PolarHBondContact O-N 3.03Å; K294-A297 WeakPolarHBondContact O-CB 3.44Å; K294-A297 PolarHBondContact O-N 3.5Å; L295-A297 VanDerWaalsContact C-N 3.29Å; L295-A297 PolarHBondContact O-N 3.09Å; A297-T301 WeakPolarHBondContact O-CB 3.46Å; A297-T301 PolarHBondContact O-N 3.03Å; A297-T301 VanDerWaalsContact O-N 3.1Å; A297-T301 PolarHBondContact O-OG1 3.14Å; A297-T314 WeakPolarHBondContact CB-OG1 3.47Å; A297-I340 HydrophobicContact CB-CG2 3.97Å; A297-T342 HydrophobicContact CB-CG2 3.88Å |
| 298 | N | 94.8 | Very high | 92.9 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 34% | 0.342 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.2 | -47.8 | 176.8 | -72.9 | -34.5 | 0 | 0 | 0 | 111.9 | K294 L295 K296 L300 T301 E302 T314 H316 | K294-N298 PolarHBondContact O-N 3.2Å; K294-N298 VanDerWaalsContact O-N 3.09Å; K294-N298 PolarHBondContact O-ND2 3.1Å; L295-N298 PolarHBondContact O-N 3.29Å; L295-N298 VanDerWaalsContact O-N 3.14Å; K296-N298 VanDerWaalsContact C-N 3.34Å; K296-N298 PolarHBondContact O-N 3.02Å; N298-L300 VanDerWaalsContact C-N 3.34Å; N298-L300 PolarHBondContact O-N 3.05Å; N298-T301 WeakPolarHBondContact O-CB 3.37Å; N298-T301 PolarHBondContact O-N 3.13Å; N298-T301 VanDerWaalsContact O-N 3.14Å; N298-E302 PolarHBondContact O-N 2.94Å; N298-T314 WeakPolarHBondContact OD1-CG2 3.44Å; N298-H316 VanDerWaalsContact CG-NE2 3.33Å; N298-H316 PolarHBondContact ND2-NE2 3.46Å; N298-H316 PolarHBondContact OD1-NE2 2.88Å |
| 299 | S | 96.1 | Very high | 92.7 | Very high | 75 Ų | 75 | 61.7 Ų | 61.7 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 179.7 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | L295 K296 E302 L303 | L295-S299 PolarHBondContact O-N 3.43Å; L295-S299 PolarHBondContact O-OG 3.35Å; L295-S299 VanDerWaalsContact O-OG 3.11Å; K296-S299 PolarHBondContact O-N 3.3Å; S299-E302 PolarHBondContact O-N 2.85Å; S299-L303 WeakPolarHBondContact O-CB 3.31Å; S299-L303 PolarHBondContact O-N 3.2Å |
| 300 | L | 96.8 | Very high | 92.5 | Very high | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.4 | -36.7 | 176.4 | -70.4 | 174.3 | 0 | 0 | 0 | 112.2 | P266 L269 V291 K296 N298 E302 L303 L304 I340 Y375 | P266-L300 HydrophobicContact CB-CD2 4.35Å; L269-L300 HydrophobicContact CD2-CD1 4.35Å; L269-L300 HydrophobicContact CD2-CD2 4.21Å; V291-L300 HydrophobicContact CG1-CD1 3.72Å; K296-L300 HydrophobicContact CG-CD1 3.96Å; K296-L300 HydrophobicContact CG-CG 4.34Å; K296-L300 WeakPolarHBondContact O-CB 3.21Å; K296-L300 WeakPolarHBondContact O-CG 3.46Å; K296-L300 PolarHBondContact O-N 2.79Å; N298-L300 VanDerWaalsContact C-N 3.34Å; N298-L300 PolarHBondContact O-N 3.05Å; L300-E302 VanDerWaalsContact C-N 3.33Å; L300-E302 PolarHBondContact O-N 3.48Å; L300-L303 HydrophobicContact CD2-CD2 4.09Å; L300-L303 PolarHBondContact O-N 3.06Å; L300-L304 VanDerWaalsContact O-CG 3.32Å; L300-L304 WeakPolarHBondContact O-CG 3.48Å; L300-L304 PolarHBondContact O-N 3.34Å; L300-I340 HydrophobicContact CB-CD1 3.87Å; L300-Y375 HydrophobicContact CD1-CD1 4.19Å; L300-Y375 HydrophobicContact CD1-CD2 3.88Å; L300-Y375 HydrophobicContact CD1-CE1 4.11Å; L300-Y375 HydrophobicContact CD1-CE2 3.69Å; L300-Y375 HydrophobicContact CD1-CG 4.1Å; L300-Y375 HydrophobicContact CD2-CE2 3.98Å |
| 301 | T | 96.6 | Very high | 92.4 | Very high | 15 Ų | 15 | 67.9 Ų | 67.9 | 9% | 0.092 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63 | -42.6 | 175.3 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | A297 N298 N305 A312 T314 I340 | A297-T301 WeakPolarHBondContact O-CB 3.46Å; A297-T301 PolarHBondContact O-N 3.03Å; A297-T301 VanDerWaalsContact O-N 3.1Å; A297-T301 PolarHBondContact O-OG1 3.14Å; N298-T301 WeakPolarHBondContact O-CB 3.37Å; N298-T301 PolarHBondContact O-N 3.13Å; N298-T301 VanDerWaalsContact O-N 3.14Å; T301-N305 WeakPolarHBondContact CG2-ND2 3.48Å; T301-N305 WeakPolarHBondContact O-CB 3.46Å; T301-N305 PolarHBondContact O-N 3.49Å; T301-N305 VanDerWaalsContact O-N 3.1Å; T301-N305 PolarHBondContact O-ND2 2.96Å; T301-A312 HydrophobicContact CG2-CB 4.31Å; T301-A312 WeakPolarHBondContact CG2-O 3.47Å; T301-T314 HydrophobicContact CG2-CG2 4.38Å; T301-T314 WeakPolarHBondContact OG1-CB 3.43Å; T301-I340 WeakPolarHBondContact OG1-CD1 3.38Å |
| 302 | E | 96.9 | Very high | 92.5 | Very high | 99 Ų | 99 | 68 Ų | 68 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 174.9 | -175 | 179 | 177.7 | 0 | 0 | 111.5 | N298 S299 L300 L304 N305 R306 | N298-E302 PolarHBondContact O-N 2.94Å; S299-E302 PolarHBondContact O-N 2.85Å; L300-E302 VanDerWaalsContact C-N 3.33Å; L300-E302 PolarHBondContact O-N 3.48Å; E302-L304 PolarHBondContact O-N 2.83Å; E302-N305 PolarHBondContact O-N 3.16Å; E302-R306 VanDerWaalsContact CG-CD 3.45Å; E302-R306 HydrophobicContact CG-CG 4.05Å; E302-R306 VanDerWaalsContact O-CB 3.31Å; E302-R306 WeakPolarHBondContact O-CB 3.33Å; E302-R306 WeakPolarHBondContact O-CG 3.46Å; E302-R306 PolarHBondContact O-N 3.34Å; E302-R306 WeakPolarHBondContact OE1-CD 3.4Å; E302-R306 IonicContact OE1-CZ 2.8Å; E302-R306 IonicContact OE1-NE 3.05Å; E302-R306 IonicContact OE1-NH1 2.59Å; E302-R306 PolarHBondContact OE1-NH1 2.98Å |
| 303 | L | 95.8 | Very high | 92.8 | Very high | 35 Ų | 35 | 63.5 Ų | 63.5 | 18% | 0.183 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -53.9 | -52.1 | 176.9 | 177.6 | 70 | 0 | 0 | 0 | 111.3 | P266 V270 S299 L300 K307 | P266-L303 HydrophobicContact CB-CD2 3.84Å; V270-L303 HydrophobicContact CG2-CD2 4.47Å; S299-L303 WeakPolarHBondContact O-CB 3.31Å; S299-L303 PolarHBondContact O-N 3.2Å; L300-L303 HydrophobicContact CD2-CD2 4.09Å; L300-L303 PolarHBondContact O-N 3.06Å; L303-K307 HydrophobicContact CD1-CB 4.17Å; L303-K307 HydrophobicContact CD1-CD 3.68Å; L303-K307 HydrophobicContact CD1-CG 4.09Å; L303-K307 WeakPolarHBondContact O-CA 3.11Å; L303-K307 WeakPolarHBondContact O-CB 3.41Å; L303-K307 PolarHBondContact O-N 3.03Å |
| 304 | L | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.3 | -49.9 | -178.8 | -67.2 | -178.7 | 0 | 0 | 0 | 111.1 | V270 L273 I289 L300 E302 R306 T308 H310 A312 T338 I340 | V270-L304 HydrophobicContact CG2-CD2 4.16Å; L273-L304 HydrophobicContact CD1-CD1 3.87Å; L273-L304 HydrophobicContact CD1-CD2 3.6Å; L273-L304 HydrophobicContact CD1-CG 4.41Å; I289-L304 HydrophobicContact CD1-CD1 4.36Å; L300-L304 VanDerWaalsContact O-CG 3.32Å; L300-L304 WeakPolarHBondContact O-CG 3.48Å; L300-L304 PolarHBondContact O-N 3.34Å; E302-L304 PolarHBondContact O-N 2.83Å; L304-R306 PolarHBondContact O-N 2.93Å; L304-T308 WeakPolarHBondContact CA-OG1 3.5Å; L304-T308 HydrophobicContact CD2-CG2 4.25Å; L304-T308 WeakPolarHBondContact O-CB 3.37Å; L304-T308 PolarHBondContact O-N 3.43Å; L304-T308 PolarHBondContact O-OG1 3.01Å; L304-H310 CarbonylContact C-O 3.56Å; L304-H310 VanDerWaalsContact O-O 3.11Å; L304-A312 HydrophobicContact CB-CB 4.09Å; L304-A312 HydrophobicContact CD1-CB 3.82Å; L304-T338 HydrophobicContact CD1-CG2 4.13Å; L304-I340 HydrophobicContact CD1-CD1 3.92Å |
| 305 | N | 96 | Very high | 93 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 40% | 0.401 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.7 | -31.4 | -176.3 | -73.5 | -44.5 | 0 | 0 | 0 | 114 | T301 E302 Q311 A312 | T301-N305 WeakPolarHBondContact CG2-ND2 3.48Å; T301-N305 WeakPolarHBondContact O-CB 3.46Å; T301-N305 PolarHBondContact O-N 3.49Å; T301-N305 VanDerWaalsContact O-N 3.1Å; T301-N305 PolarHBondContact O-ND2 2.96Å; E302-N305 PolarHBondContact O-N 3.16Å; N305-Q311 WeakPolarHBondContact OD1-CA 3.23Å; N305-A312 PolarHBondContact ND2-O 3.32Å; N305-A312 PolarHBondContact OD1-N 3.48Å; N305-A312 PolarHBondContact OD1-O 3.04Å |
| 306 | R | 93.3 | Very high | 92.6 | Very high | 193 Ų | 193 | 54 Ų | 54 | 73% | 0.728 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -96.7 | -35.4 | -175 | -65.9 | -174.8 | 71.3 | -168.8 | 0.5 | 113.8 | E302 L304 | E302-R306 VanDerWaalsContact CG-CD 3.45Å; E302-R306 HydrophobicContact CG-CG 4.05Å; E302-R306 VanDerWaalsContact O-CB 3.31Å; E302-R306 WeakPolarHBondContact O-CB 3.33Å; E302-R306 WeakPolarHBondContact O-CG 3.46Å; E302-R306 PolarHBondContact O-N 3.34Å; E302-R306 WeakPolarHBondContact OE1-CD 3.4Å; E302-R306 IonicContact OE1-CZ 2.8Å; E302-R306 IonicContact OE1-NE 3.05Å; E302-R306 IonicContact OE1-NH1 2.59Å; E302-R306 PolarHBondContact OE1-NH1 2.98Å; L304-R306 PolarHBondContact O-N 2.93Å |
| 307 | K | 88.2 | Confident | 91.5 | Very high | 169 Ų | 169 | 53.7 Ų | 53.7 | 74% | 0.735 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -110.2 | -3.8 | -170.5 | -53.4 | -160.1 | -166.9 | 173.8 | 0 | 113.8 | L303 | L303-K307 HydrophobicContact CD1-CB 4.17Å; L303-K307 HydrophobicContact CD1-CD 3.68Å; L303-K307 HydrophobicContact CD1-CG 4.09Å; L303-K307 WeakPolarHBondContact O-CA 3.11Å; L303-K307 WeakPolarHBondContact O-CB 3.41Å; L303-K307 PolarHBondContact O-N 3.03Å |
| 308 | T | 89.9 | Confident | 90.9 | Very high | 33 Ų | 33 | 59 Ų | 59 | 20% | 0.202 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -133.3 | 171.9 | -179.3 | 83.3 | 0 | 0 | 0 | 0 | 110.8 | V270 L304 H310 | V270-T308 HydrophobicContact CG1-CG2 3.85Å; V270-T308 HydrophobicContact CG2-CG2 3.81Å; L304-T308 WeakPolarHBondContact CA-OG1 3.5Å; L304-T308 HydrophobicContact CD2-CG2 4.25Å; L304-T308 WeakPolarHBondContact O-CB 3.37Å; L304-T308 PolarHBondContact O-N 3.43Å; L304-T308 PolarHBondContact O-OG1 3.01Å; T308-H310 WeakPolarHBondContact OG1-CB 3.44Å; T308-H310 PolarHBondContact OG1-CD2 2.97Å; T308-H310 PolarHBondContact OG1-N 3.34Å |
| 309 | K | 87.9 | Confident | 90.1 | Very high | 168 Ų | 168 | 57.4 Ų | 57.4 | 73% | 0.73 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -78.2 | -6.1 | 171.5 | 64.4 | -174.1 | 175.2 | -173.3 | 0 | 113.6 | D274 | D274-K309 WeakPolarHBondContact OD1-CE 3.26Å; D274-K309 IonicContact OD1-NZ 3.82Å |
| 310 | H | 90.2 | Very high | 89.2 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | trans | -81.7 | 144.2 | -177.5 | -58.3 | -71 | 0 | 0 | 0 | 110.9 | L273 D274 L304 T308 | L273-H310 VanDerWaalsContact C-CE1 3.5Å; L273-H310 WeakPolarHBondContact CB-NE2 3.33Å; L273-H310 PolarHBondContact O-CE1 3.48Å; D274-H310 IonicContact OD1-CD2 3.27Å; D274-H310 IonicContact OD1-CE1 3.82Å; D274-H310 IonicContact OD1-NE2 2.74Å; D274-H310 PolarHBondContact OD1-NE2 3.04Å; L304-H310 CarbonylContact C-O 3.56Å; L304-H310 VanDerWaalsContact O-O 3.11Å; T308-H310 WeakPolarHBondContact OG1-CB 3.44Å; T308-H310 PolarHBondContact OG1-CD2 2.97Å; T308-H310 PolarHBondContact OG1-N 3.34Å | ||
| 311 | Q | 91.5 | Very high | 87.9 | Confident | 114 Ų | 114 | 56.4 Ų | 56.4 | 53% | 0.533 | 28% | 0.278 | S | S | . | . | trans | -106.3 | 130.7 | 171.6 | -67.7 | -176.9 | -21.7 | 0 | 0 | 109.6 | N305 I336 T338 | N305-Q311 WeakPolarHBondContact OD1-CA 3.23Å; Q311-I336 HydrophobicContact CB-CG2 4.24Å; Q311-I336 WeakPolarHBondContact O-CG2 3.29Å; Q311-T338 VanDerWaalsContact O-CB 3.29Å; Q311-T338 WeakPolarHBondContact O-CB 3.4Å | ||
| 312 | A | 95 | Very high | 87 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T301 L304 N305 T338 I340 | T301-A312 HydrophobicContact CG2-CB 4.31Å; T301-A312 WeakPolarHBondContact CG2-O 3.47Å; L304-A312 HydrophobicContact CB-CB 4.09Å; L304-A312 HydrophobicContact CD1-CB 3.82Å; N305-A312 PolarHBondContact ND2-O 3.32Å; N305-A312 PolarHBondContact OD1-N 3.48Å; N305-A312 PolarHBondContact OD1-O 3.04Å; A312-T338 VanDerWaalsContact CA-O 3.31Å; A312-T338 WeakPolarHBondContact CA-O 3.14Å; A312-T338 HydrophobicContact CB-CG2 4.1Å; A312-I340 HydrophobicContact CB-CD1 4.21Å |
| 313 | V | 94 | Very high | 86.3 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 158.9 | 165 | -77.8 | 0 | 0 | 0 | 0 | 109.8 | N327 L330 I336 T338 L339 I340 | V313-N327 HydrophobicContact CB-CB 3.92Å; V313-N327 HydrophobicContact CG1-CB 4.31Å; V313-N327 HydrophobicContact CG2-CB 4.21Å; V313-L330 HydrophobicContact CG1-CD1 4.44Å; V313-I336 HydrophobicContact CG1-CD1 3.4Å; V313-I336 VanDerWaalsContact CG1-CD1 3.4Å; V313-I336 HydrophobicContact CG1-CG2 4.32Å; V313-I336 HydrophobicContact CG2-CB 4.44Å; V313-I336 HydrophobicContact CG2-CG2 3.99Å; V313-T338 PolarHBondContact N-O 3.14Å; V313-L339 HydrophobicContact CG2-CD1 4.01Å; V313-L339 CarbonylContact O-C 3.55Å; V313-L339 WeakPolarHBondContact O-CA 3.47Å; V313-I340 PolarHBondContact O-N 3.09Å |
| 314 | T | 93.1 | Very high | 85.6 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 151.3 | 178.6 | -178 | 0 | 0 | 0 | 0 | 112.8 | A297 N298 T301 L319 N327 I340 | A297-T314 WeakPolarHBondContact CB-OG1 3.47Å; N298-T314 WeakPolarHBondContact OD1-CG2 3.44Å; T301-T314 HydrophobicContact CG2-CG2 4.38Å; T301-T314 WeakPolarHBondContact OG1-CB 3.43Å; T314-L319 HydrophobicContact CG2-CD1 4.3Å; T314-L319 WeakPolarHBondContact O-CD1 3.41Å; T314-N327 PolarHBondContact O-ND2 3.24Å; T314-I340 CarbonylContact C-O 3.46Å; T314-I340 WeakPolarHBondContact CA-O 3.48Å; T314-I340 PolarHBondContact OG1-O 3.35Å |
| 315 | V | 84.8 | Confident | 84.6 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 114.2 | 172.9 | 175.1 | 0 | 0 | 0 | 0 | 109 | R324 N327 L328 L339 I340 T342 V359 A360 | V315-R324 HydrophobicContact CG1-CB 4.37Å; V315-R324 HydrophobicContact CG1-CG 4.09Å; V315-N327 HydrophobicContact CG2-CB 4.18Å; V315-L328 HydrophobicContact CG2-CD2 4.04Å; V315-L328 HydrophobicContact CG2-CG 3.94Å; V315-L339 HydrophobicContact CB-CD1 4.27Å; V315-L339 HydrophobicContact CG2-CD1 3.69Å; V315-I340 PolarHBondContact N-O 2.94Å; V315-T342 PolarHBondContact O-N 2.63Å; V315-V359 HydrophobicContact CG1-CG1 4.34Å; V315-A360 HydrophobicContact CB-CB 4.25Å; V315-A360 HydrophobicContact CG1-CB 4.1Å; V315-A360 WeakPolarHBondContact O-CB 3.4Å |
| 316 | H | 82.5 | Confident | 84.2 | Confident | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.019 | 33% | 0.332 | C | S | . | . | trans | -152.1 | 171.4 | 176.2 | 63.9 | 59 | 0 | 0 | 0 | 111.7 | K294 N298 N318 L319 R324 T342 | K294-H316 HydrophobicContact CB-CB 4.04Å; N298-H316 VanDerWaalsContact CG-NE2 3.33Å; N298-H316 PolarHBondContact ND2-NE2 3.46Å; N298-H316 PolarHBondContact OD1-NE2 2.88Å; H316-N318 PolarHBondContact ND1-N 3.35Å; H316-N318 VanDerWaalsContact ND1-N 3.19Å; H316-N318 PolarHBondContact O-N 3.24Å; H316-L319 PolarHBondContact O-N 2.94Å; H316-L319 VanDerWaalsContact O-N 3.17Å; H316-R324 WeakPolarHBondContact O-CD 3.26Å; H316-T342 WeakPolarHBondContact CA-OG1 3.24Å; H316-T342 HydrophobicContact CB-CG2 3.63Å; H316-T342 VanDerWaalsContact CB-OG1 3.27Å; H316-T342 WeakPolarHBondContact CB-OG1 3.27Å | ||
| 317 | G | 70.4 | Confident | 84 | Confident | 35 Ų | 35 | 64.2 Ų | 64.2 | 36% | 0.361 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -34.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117 | L319 | G317-L319 VanDerWaalsContact C-N 3.26Å; G317-L319 PolarHBondContact O-N 3.4Å |
| 318 | N | 78.8 | Confident | 83.7 | Confident | 113 Ų | 113 | 56.7 Ų | 56.7 | 60% | 0.604 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -8.2 | 179.3 | -79.2 | 23.7 | 0 | 0 | 0 | 115 | K294 H316 | K294-N318 HydrophobicContact CD-CB 4.28Å; K294-N318 WeakPolarHBondContact CD-OD1 3.16Å; K294-N318 PolarHBondContact NZ-OD1 2.82Å; H316-N318 PolarHBondContact ND1-N 3.35Å; H316-N318 VanDerWaalsContact ND1-N 3.19Å; H316-N318 PolarHBondContact O-N 3.24Å |
| 319 | L | 79 | Confident | 83.3 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -81.1 | 140.8 | 176.1 | -65.9 | -178.5 | 0 | 0 | 0 | 110.4 | T314 H316 G317 M323 R324 | T314-L319 HydrophobicContact CG2-CD1 4.3Å; T314-L319 WeakPolarHBondContact O-CD1 3.41Å; H316-L319 PolarHBondContact O-N 2.94Å; H316-L319 VanDerWaalsContact O-N 3.17Å; G317-L319 VanDerWaalsContact C-N 3.26Å; G317-L319 PolarHBondContact O-N 3.4Å; L319-M323 HydrophobicContact CB-CB 4.33Å; L319-M323 HydrophobicContact CD2-SD 4.26Å; L319-R324 HydrophobicContact CB-CG 3.55Å; L319-R324 HydrophobicContact CD1-CG 4.06Å; L319-R324 HydrophobicContact CG-CG 4.44Å; L319-R324 PolarHBondContact O-NE 3.45Å |
| 320 | S | 77 | Confident | 83.4 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 34% | 0.336 | 25% | 0.25 | S | C | . | . | trans | -58.4 | 153.5 | 170.3 | 78.8 | 0 | 0 | 0 | 0 | 110.2 | R322 M323 R324 | S320-R322 VanDerWaalsContact C-N 3.28Å; S320-R322 PolarHBondContact O-N 3.1Å; S320-M323 PolarHBondContact O-N 2.79Å; S320-M323 VanDerWaalsContact O-N 3.12Å; S320-M323 VanDerWaalsContact OG-CG 3.29Å; S320-M323 WeakPolarHBondContact OG-CG 3.43Å; S320-M323 PolarHBondContact OG-N 2.85Å; S320-R324 PolarHBondContact O-N 2.89Å | ||
| 321 | Q | 68.8 | Low | 83.2 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.4 | -47.5 | 179.1 | -177.1 | 82.5 | 40.9 | 0 | 0 | 111.1 | R103 E104 M323 R324 E325 | R103-Q321 VanDerWaalsContact NE-CD 3.35Å; R103-Q321 VanDerWaalsContact NH1-CG 3.35Å; E104-Q321 PolarHBondContact OE1-NE2 2.84Å; E104-Q321 PolarHBondContact OE1-OE1 3.15Å; Q321-M323 PolarHBondContact O-N 2.75Å; Q321-R324 PolarHBondContact O-N 2.87Å; Q321-E325 HydrophobicContact CG-CG 4.23Å; Q321-E325 WeakPolarHBondContact CG-OE1 3.5Å; Q321-E325 PolarHBondContact NE2-OE1 2.92Å; Q321-E325 WeakPolarHBondContact O-CG 3.45Å; Q321-E325 PolarHBondContact O-N 2.85Å |
| 322 | R | 78 | Confident | 82.7 | Confident | 200 Ų | 200 | 48.5 Ų | 48.5 | 76% | 0.755 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -54.6 | -40.7 | 178.7 | -177.4 | 177.7 | 175.7 | 142.1 | -0.3 | 111.9 | S320 R326 | S320-R322 VanDerWaalsContact C-N 3.28Å; S320-R322 PolarHBondContact O-N 3.1Å; R322-R326 VanDerWaalsContact O-CB 3.29Å; R322-R326 WeakPolarHBondContact O-CB 3.3Å; R322-R326 PolarHBondContact O-N 3.08Å |
| 323 | M | 83.1 | Confident | 82.2 | Confident | 102 Ų | 102 | 53.4 Ų | 53.4 | 50% | 0.502 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 176.2 | -71.2 | 177.8 | -159.8 | 0 | 0 | 112.1 | L319 S320 Q321 E325 R326 N327 | L319-M323 HydrophobicContact CB-CB 4.33Å; L319-M323 HydrophobicContact CD2-SD 4.26Å; S320-M323 PolarHBondContact O-N 2.79Å; S320-M323 VanDerWaalsContact O-N 3.12Å; S320-M323 VanDerWaalsContact OG-CG 3.29Å; S320-M323 WeakPolarHBondContact OG-CG 3.43Å; S320-M323 PolarHBondContact OG-N 2.85Å; Q321-M323 PolarHBondContact O-N 2.75Å; M323-E325 PolarHBondContact O-N 3.39Å; M323-R326 PolarHBondContact O-N 2.98Å; M323-N327 WeakPolarHBondContact O-CB 3.42Å; M323-N327 PolarHBondContact O-N 3.04Å; M323-N327 PolarHBondContact O-OD1 2.77Å |
| 324 | R | 80 | Confident | 81.7 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 178 | -69.4 | -172.8 | -68.9 | 98.8 | -4.5 | 112.3 | E104 V315 H316 L319 S320 Q321 N327 L328 W357 | E104-R324 IonicContact OE1-CZ 2.66Å; E104-R324 IonicContact OE1-NH1 2.63Å; E104-R324 PolarHBondContact OE1-NH1 3.48Å; E104-R324 IonicContact OE1-NH2 3.57Å; V315-R324 HydrophobicContact CG1-CB 4.37Å; V315-R324 HydrophobicContact CG1-CG 4.09Å; H316-R324 WeakPolarHBondContact O-CD 3.26Å; L319-R324 HydrophobicContact CB-CG 3.55Å; L319-R324 HydrophobicContact CD1-CG 4.06Å; L319-R324 HydrophobicContact CG-CG 4.44Å; L319-R324 PolarHBondContact O-NE 3.45Å; S320-R324 PolarHBondContact O-N 2.89Å; Q321-R324 PolarHBondContact O-N 2.87Å; R324-N327 PolarHBondContact O-N 3.04Å; R324-L328 WeakPolarHBondContact O-CB 3.45Å; R324-L328 VanDerWaalsContact O-CG 3.25Å; R324-L328 WeakPolarHBondContact O-CG 3.45Å; R324-L328 PolarHBondContact O-N 2.81Å; R324-W357 VanDerWaalsContact NH2-CE2 3.31Å |
| 325 | E | 76.1 | Confident | 81.5 | Confident | 71 Ų | 71 | 61 Ų | 61 | 33% | 0.332 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61 | -47.9 | 174.9 | -72.5 | 173 | -147.8 | 0 | 0 | 111.5 | R107 Q321 M323 N327 L328 S329 | R107-E325 VanDerWaalsContact CZ-CD 3.48Å; R107-E325 IonicContact CZ-OE1 3.75Å; R107-E325 IonicContact CZ-OE2 2.75Å; R107-E325 IonicContact NH1-OE1 3.89Å; R107-E325 PolarHBondContact NH1-OE1 3.39Å; R107-E325 IonicContact NH1-OE2 3.93Å; R107-E325 PolarHBondContact NH1-OE2 3.49Å; R107-E325 VanDerWaalsContact NH1-OE2 3.17Å; R107-E325 IonicContact NH2-OE1 2.67Å; R107-E325 PolarHBondContact NH2-OE1 2.7Å; Q321-E325 HydrophobicContact CG-CG 4.23Å; Q321-E325 WeakPolarHBondContact CG-OE1 3.5Å; Q321-E325 PolarHBondContact NE2-OE1 2.92Å; Q321-E325 WeakPolarHBondContact O-CG 3.45Å; Q321-E325 PolarHBondContact O-N 2.85Å; M323-E325 PolarHBondContact O-N 3.39Å; E325-N327 VanDerWaalsContact C-N 3.34Å; E325-N327 PolarHBondContact O-N 3.14Å; E325-L328 PolarHBondContact O-N 3.33Å; E325-S329 WeakPolarHBondContact O-CB 3.41Å; E325-S329 PolarHBondContact O-N 2.78Å |
| 326 | R | 86.1 | Confident | 81.7 | Confident | 174 Ų | 174 | 62.1 Ų | 62.1 | 66% | 0.657 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -55.9 | -49.8 | 175.5 | 178.7 | -176.1 | 177.1 | 177.1 | -0.2 | 111.1 | R322 M323 S329 L330 | R322-R326 VanDerWaalsContact O-CB 3.29Å; R322-R326 WeakPolarHBondContact O-CB 3.3Å; R322-R326 PolarHBondContact O-N 3.08Å; M323-R326 PolarHBondContact O-N 2.98Å; R326-S329 WeakPolarHBondContact O-CB 3.34Å; R326-S329 PolarHBondContact O-N 3.1Å; R326-L330 HydrophobicContact CG-CD1 4.16Å; R326-L330 VanDerWaalsContact O-CG 3.31Å; R326-L330 WeakPolarHBondContact O-CG 3.47Å; R326-L330 PolarHBondContact O-N 2.82Å |
| 327 | N | 88.7 | Confident | 82.1 | Confident | 25 Ų | 25 | 63.6 Ų | 63.6 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | -178 | -71.2 | 2.3 | 0 | 0 | 0 | 111.6 | V313 T314 V315 M323 R324 E325 S329 L330 F331 | V313-N327 HydrophobicContact CB-CB 3.92Å; V313-N327 HydrophobicContact CG1-CB 4.31Å; V313-N327 HydrophobicContact CG2-CB 4.21Å; T314-N327 PolarHBondContact O-ND2 3.24Å; V315-N327 HydrophobicContact CG2-CB 4.18Å; M323-N327 WeakPolarHBondContact O-CB 3.42Å; M323-N327 PolarHBondContact O-N 3.04Å; M323-N327 PolarHBondContact O-OD1 2.77Å; R324-N327 PolarHBondContact O-N 3.04Å; E325-N327 VanDerWaalsContact C-N 3.34Å; E325-N327 PolarHBondContact O-N 3.14Å; N327-S329 VanDerWaalsContact C-N 3.34Å; N327-S329 PolarHBondContact O-N 3.4Å; N327-L330 PolarHBondContact O-N 2.74Å; N327-F331 PolarHBondContact O-N 3.39Å; N327-F331 VanDerWaalsContact O-N 3.07Å |
| 328 | L | 83.8 | Confident | 83.1 | Confident | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 173.9 | -73.2 | 170.8 | 0 | 0 | 0 | 112 | V315 R324 E325 F331 R332 L339 L364 | V315-L328 HydrophobicContact CG2-CD2 4.04Å; V315-L328 HydrophobicContact CG2-CG 3.94Å; R324-L328 WeakPolarHBondContact O-CB 3.45Å; R324-L328 VanDerWaalsContact O-CG 3.25Å; R324-L328 WeakPolarHBondContact O-CG 3.45Å; R324-L328 PolarHBondContact O-N 2.81Å; E325-L328 PolarHBondContact O-N 3.33Å; L328-F331 PolarHBondContact O-N 2.91Å; L328-R332 WeakPolarHBondContact O-CB 3.37Å; L328-R332 VanDerWaalsContact O-CG 3.26Å; L328-R332 WeakPolarHBondContact O-CG 3.11Å; L328-R332 PolarHBondContact O-N 3.12Å; L328-L339 HydrophobicContact CD2-CD2 3.88Å; L328-L364 HydrophobicContact CD1-CD1 3.92Å; L328-L364 HydrophobicContact CD1-CD2 3.94Å; L328-L364 HydrophobicContact CD2-CD1 4Å |
| 329 | S | 81.3 | Confident | 83.8 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.3 | -49.8 | 176.1 | -148.5 | 0 | 0 | 0 | 0 | 111 | E325 R326 N327 F331 R332 E333 | E325-S329 WeakPolarHBondContact O-CB 3.41Å; E325-S329 PolarHBondContact O-N 2.78Å; R326-S329 WeakPolarHBondContact O-CB 3.34Å; R326-S329 PolarHBondContact O-N 3.1Å; N327-S329 VanDerWaalsContact C-N 3.34Å; N327-S329 PolarHBondContact O-N 3.4Å; S329-F331 PolarHBondContact O-N 3.18Å; S329-R332 PolarHBondContact O-N 3.31Å; S329-R332 VanDerWaalsContact O-N 3.15Å; S329-E333 VanDerWaalsContact O-CB 3.32Å; S329-E333 WeakPolarHBondContact O-CB 3.22Å; S329-E333 VanDerWaalsContact O-CG 3.27Å; S329-E333 WeakPolarHBondContact O-CG 3.38Å; S329-E333 PolarHBondContact O-N 2.98Å; S329-E333 PolarHBondContact OG-OE1 2.94Å |
| 330 | L | 88.8 | Confident | 84.5 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.2 | -38.5 | 177.2 | -68.9 | 172.3 | 0 | 0 | 0 | 111.8 | V313 R326 N327 G334 R335 I336 | V313-L330 HydrophobicContact CG1-CD1 4.44Å; R326-L330 HydrophobicContact CG-CD1 4.16Å; R326-L330 VanDerWaalsContact O-CG 3.31Å; R326-L330 WeakPolarHBondContact O-CG 3.47Å; R326-L330 PolarHBondContact O-N 2.82Å; N327-L330 PolarHBondContact O-N 2.74Å; L330-G334 PolarHBondContact O-N 3.14Å; L330-R335 HydrophobicContact CD2-CB 4.18Å; L330-R335 PolarHBondContact O-N 3.49Å; L330-I336 HydrophobicContact CB-CB 4.46Å; L330-I336 HydrophobicContact CB-CD1 4.17Å; L330-I336 HydrophobicContact CB-CG1 4.3Å; L330-I336 HydrophobicContact CD1-CD1 3.92Å; L330-I336 PolarHBondContact O-N 2.9Å; L330-I336 VanDerWaalsContact O-N 3.09Å |
| 331 | F | 86.3 | Confident | 85.1 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71 | -47.7 | 175.9 | -172.3 | -107.3 | 0 | 0 | 0 | 113.2 | R286 K287 N327 L328 S329 E333 G334 I336 N337 L339 I366 V369 | R286-F331 HydrophobicContact CB-CE1 4.43Å; R286-F331 HydrophobicContact CB-CE2 4.09Å; R286-F331 HydrophobicContact CB-CZ 3.76Å; R286-F331 HydrophobicContact CG-CE2 4.49Å; R286-F331 HydrophobicContact CG-CZ 4.43Å; R286-F331 PolarHBondContact NE-O 2.87Å; K287-F331 VanDerWaalsContact O-CE2 3.28Å; K287-F331 WeakPolarHBondContact O-CE2 3.14Å; K287-F331 WeakPolarHBondContact O-CZ 3.17Å; N327-F331 PolarHBondContact O-N 3.39Å; N327-F331 VanDerWaalsContact O-N 3.07Å; L328-F331 PolarHBondContact O-N 2.91Å; S329-F331 PolarHBondContact O-N 3.18Å; F331-E333 VanDerWaalsContact C-N 3.32Å; F331-E333 PolarHBondContact O-N 3.32Å; F331-G334 PolarHBondContact O-N 3.1Å; F331-I336 WeakPolarHBondContact CA-O 3.37Å; F331-I336 VanDerWaalsContact CD2-O 3.31Å; F331-I336 WeakPolarHBondContact CD2-O 3.36Å; F331-N337 WeakPolarHBondContact CE2-O 3.35Å; F331-L339 HydrophobicContact CB-CB 4.43Å; F331-L339 HydrophobicContact CD1-CB 4.01Å; F331-L339 HydrophobicContact CD1-CD2 3.8Å; F331-L339 HydrophobicContact CD2-CB 3.49Å; F331-L339 VanDerWaalsContact CD2-CB 3.49Å; F331-L339 HydrophobicContact CE1-CB 4.09Å; F331-L339 HydrophobicContact CE1-CD2 4.17Å; F331-L339 HydrophobicContact CE2-CB 3.55Å; F331-L339 HydrophobicContact CG-CB 3.71Å; F331-L339 HydrophobicContact CG-CD2 4.09Å; F331-L339 HydrophobicContact CG-CG 4.45Å; F331-L339 HydrophobicContact CZ-CB 3.85Å; F331-I366 HydrophobicContact CD1-CG2 3.63Å; F331-I366 HydrophobicContact CE1-CG2 3.33Å; F331-V369 HydrophobicContact CE1-CG2 3.96Å; F331-V369 HydrophobicContact CZ-CG2 4.16Å |
| 332 | R | 82.1 | Confident | 85.7 | Confident | 86 Ų | 86 | 52.6 Ų | 52.6 | 33% | 0.325 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.8 | -37.7 | 179.6 | -77.7 | 174.7 | 172.9 | 172.2 | -3.5 | 112.6 | R286 L328 S329 G334 D365 | R286-R332 PolarHBondContact NH1-O 2.68Å; R286-R332 PolarHBondContact NH2-O 3.19Å; L328-R332 WeakPolarHBondContact O-CB 3.37Å; L328-R332 VanDerWaalsContact O-CG 3.26Å; L328-R332 WeakPolarHBondContact O-CG 3.11Å; L328-R332 PolarHBondContact O-N 3.12Å; S329-R332 PolarHBondContact O-N 3.31Å; S329-R332 VanDerWaalsContact O-N 3.15Å; R332-G334 PolarHBondContact O-N 3.34Å; R332-D365 PolarHBondContact NE-O 3.06Å; R332-D365 PolarHBondContact NH2-O 3.06Å |
| 333 | E | 84.2 | Confident | 84.9 | Confident | 107 Ų | 107 | 43.4 Ų | 43.4 | 50% | 0.5 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -11.8 | 175.5 | -69.5 | 162.2 | -149.7 | 0 | 0 | 112.3 | S329 F331 R335 | S329-E333 VanDerWaalsContact O-CB 3.32Å; S329-E333 WeakPolarHBondContact O-CB 3.22Å; S329-E333 VanDerWaalsContact O-CG 3.27Å; S329-E333 WeakPolarHBondContact O-CG 3.38Å; S329-E333 PolarHBondContact O-N 2.98Å; S329-E333 PolarHBondContact OG-OE1 2.94Å; F331-E333 VanDerWaalsContact C-N 3.32Å; F331-E333 PolarHBondContact O-N 3.32Å; E333-R335 HydrophobicContact CB-CG 4.08Å; E333-R335 PolarHBondContact O-N 3.43Å; E333-R335 WeakPolarHBondContact OE2-CD 3.46Å |
| 334 | G | 83.3 | Confident | 83.2 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 8% | 0.082 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 15.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | N284 L330 F331 R332 I336 | N284-G334 PolarHBondContact ND2-O 3.22Å; L330-G334 PolarHBondContact O-N 3.14Å; F331-G334 PolarHBondContact O-N 3.1Å; R332-G334 PolarHBondContact O-N 3.34Å; G334-I336 VanDerWaalsContact C-N 3.31Å |
| 335 | R | 87.8 | Confident | 81.1 | Confident | 170 Ų | 170 | 45.7 Ų | 45.7 | 64% | 0.642 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -69.5 | -33.3 | 172.3 | -67.6 | -179.1 | 63 | -179.7 | 3.6 | 111.6 | L330 E333 | L330-R335 HydrophobicContact CD2-CB 4.18Å; L330-R335 PolarHBondContact O-N 3.49Å; E333-R335 HydrophobicContact CB-CG 4.08Å; E333-R335 PolarHBondContact O-N 3.43Å; E333-R335 WeakPolarHBondContact OE2-CD 3.46Å |
| 336 | I | 90.2 | Very high | 78.7 | Confident | 26 Ų | 26 | 44.1 Ų | 44.1 | 13% | 0.133 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -125.7 | 128.1 | 170 | -62.6 | 179.8 | 0 | 0 | 0 | 106.6 | Q311 V313 L330 F331 G334 | Q311-I336 HydrophobicContact CB-CG2 4.24Å; Q311-I336 WeakPolarHBondContact O-CG2 3.29Å; V313-I336 HydrophobicContact CG1-CD1 3.4Å; V313-I336 VanDerWaalsContact CG1-CD1 3.4Å; V313-I336 HydrophobicContact CG1-CG2 4.32Å; V313-I336 HydrophobicContact CG2-CB 4.44Å; V313-I336 HydrophobicContact CG2-CG2 3.99Å; L330-I336 HydrophobicContact CB-CB 4.46Å; L330-I336 HydrophobicContact CB-CD1 4.17Å; L330-I336 HydrophobicContact CB-CG1 4.3Å; L330-I336 HydrophobicContact CD1-CD1 3.92Å; L330-I336 PolarHBondContact O-N 2.9Å; L330-I336 VanDerWaalsContact O-N 3.09Å; F331-I336 WeakPolarHBondContact CA-O 3.37Å; F331-I336 VanDerWaalsContact CD2-O 3.31Å; F331-I336 WeakPolarHBondContact CD2-O 3.36Å; G334-I336 VanDerWaalsContact C-N 3.31Å |
| 337 | N | 89.5 | Confident | 75.8 | Confident | 35 Ų | 35 | 44 Ų | 44 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | trans | -101.9 | 1.6 | -170.8 | 65.1 | 12.7 | 0 | 0 | 0 | 113.9 | N284 R286 K287 F331 | N284-N337 WeakPolarHBondContact OD1-CB 3.32Å; N284-N337 PolarHBondContact OD1-ND2 3.42Å; R286-N337 CarbonylContact C-O 3.58Å; R286-N337 WeakPolarHBondContact CA-O 3.46Å; K287-N337 PolarHBondContact N-O 3.38Å; F331-N337 WeakPolarHBondContact CE2-O 3.35Å | ||
| 338 | T | 92.3 | Very high | 72.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 121.9 | 175.8 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | K287 I289 L304 Q311 A312 V313 | K287-T338 WeakPolarHBondContact O-CA 3.4Å; I289-T338 HydrophobicContact CD1-CG2 3.42Å; I289-T338 VanDerWaalsContact CD1-CG2 3.42Å; I289-T338 HydrophobicContact CG1-CG2 4.25Å; L304-T338 HydrophobicContact CD1-CG2 4.13Å; Q311-T338 VanDerWaalsContact O-CB 3.29Å; Q311-T338 WeakPolarHBondContact O-CB 3.4Å; A312-T338 VanDerWaalsContact CA-O 3.31Å; A312-T338 WeakPolarHBondContact CA-O 3.14Å; A312-T338 HydrophobicContact CB-CG2 4.1Å; V313-T338 PolarHBondContact N-O 3.14Å |
| 339 | L | 92.5 | Very high | 70.2 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.4 | 175 | 175.1 | 62 | 0 | 0 | 0 | 109.5 | K287 L288 I289 V313 V315 L328 F331 I366 | K287-L339 PolarHBondContact O-N 3.32Å; L288-L339 WeakPolarHBondContact CA-O 3.48Å; L288-L339 HydrophobicContact CD1-CB 4.06Å; L288-L339 HydrophobicContact CD1-CD2 3.86Å; L288-L339 HydrophobicContact CD1-CG 3.84Å; I289-L339 PolarHBondContact N-O 3.26Å; V313-L339 HydrophobicContact CG2-CD1 4.01Å; V313-L339 CarbonylContact O-C 3.55Å; V313-L339 WeakPolarHBondContact O-CA 3.47Å; V315-L339 HydrophobicContact CB-CD1 4.27Å; V315-L339 HydrophobicContact CG2-CD1 3.69Å; L328-L339 HydrophobicContact CD2-CD2 3.88Å; F331-L339 HydrophobicContact CB-CB 4.43Å; F331-L339 HydrophobicContact CD1-CB 4.01Å; F331-L339 HydrophobicContact CD1-CD2 3.8Å; F331-L339 HydrophobicContact CD2-CB 3.49Å; F331-L339 VanDerWaalsContact CD2-CB 3.49Å; F331-L339 HydrophobicContact CE1-CB 4.09Å; F331-L339 HydrophobicContact CE1-CD2 4.17Å; F331-L339 HydrophobicContact CE2-CB 3.55Å; F331-L339 HydrophobicContact CG-CB 3.71Å; F331-L339 HydrophobicContact CG-CD2 4.09Å; F331-L339 HydrophobicContact CG-CG 4.45Å; F331-L339 HydrophobicContact CZ-CB 3.85Å; L339-I366 HydrophobicContact CD2-CD1 4.16Å |
| 340 | I | 94.1 | Very high | 67.5 | Low | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.2 | 172.4 | -61.5 | 164.8 | 0 | 0 | 0 | 109 | I289 V291 A297 L300 T301 L304 A312 V313 T314 V315 | I289-I340 HydrophobicContact CB-CG1 4.06Å; I289-I340 HydrophobicContact CD1-CG1 3.94Å; I289-I340 CarbonylContact O-C 3.57Å; I289-I340 WeakPolarHBondContact O-CA 3.46Å; V291-I340 HydrophobicContact CG1-CG2 4.08Å; V291-I340 HydrophobicContact CG2-CG2 3.77Å; A297-I340 HydrophobicContact CB-CG2 3.97Å; L300-I340 HydrophobicContact CB-CD1 3.87Å; T301-I340 WeakPolarHBondContact OG1-CD1 3.38Å; L304-I340 HydrophobicContact CD1-CD1 3.92Å; A312-I340 HydrophobicContact CB-CD1 4.21Å; V313-I340 PolarHBondContact O-N 3.09Å; T314-I340 CarbonylContact C-O 3.46Å; T314-I340 WeakPolarHBondContact CA-O 3.48Å; T314-I340 PolarHBondContact OG1-O 3.35Å; V315-I340 PolarHBondContact N-O 2.94Å |
| 341 | A | 89.1 | Confident | 64.7 | Low | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 122.5 | -163.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L288 I289 F290 V291 S343 A360 | L288-A341 HydrophobicContact CD1-CB 3.8Å; I289-A341 PolarHBondContact O-N 2.9Å; F290-A341 WeakPolarHBondContact CA-O 3.49Å; F290-A341 HydrophobicContact CD1-CB 3.68Å; F290-A341 HydrophobicContact CE1-CB 3.76Å; V291-A341 PolarHBondContact N-O 3.38Å; A341-S343 PolarHBondContact O-N 3Å; A341-A360 HydrophobicContact CB-CB 3.23Å |
| 342 | T | 82.3 | Confident | 61.7 | Low | 6 Ų | 6 | 76.8 Ų | 76.8 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 120.3 | 167.2 | 58 | 0 | 0 | 0 | 0 | 109.5 | V291 T293 K294 A297 V315 H316 | V291-T342 HydrophobicContact CG2-CG2 4.04Å; V291-T342 VanDerWaalsContact O-CA 3.28Å; V291-T342 WeakPolarHBondContact O-CA 3.24Å; T293-T342 VanDerWaalsContact C-CG2 3.49Å; K294-T342 HydrophobicContact CB-CG2 4.35Å; A297-T342 HydrophobicContact CB-CG2 3.88Å; V315-T342 PolarHBondContact O-N 2.63Å; H316-T342 WeakPolarHBondContact CA-OG1 3.24Å; H316-T342 HydrophobicContact CB-CG2 3.63Å; H316-T342 VanDerWaalsContact CB-OG1 3.27Å; H316-T342 WeakPolarHBondContact CB-OG1 3.27Å |
| 343 | S | 61.1 | Low | 59 | Low | 7 Ų | 7 | 79.5 Ų | 79.5 | 5% | 0.049 | 39% | 0.392 | C | S | . | . | trans | -91.8 | 137.4 | 155.6 | -71.7 | 0 | 0 | 0 | 0 | 106.7 | F290 V291 A341 A361 R387 | F290-S343 WeakPolarHBondContact CD1-OG 3.14Å; V291-S343 PolarHBondContact O-N 3.42Å; V291-S343 VanDerWaalsContact O-N 3.1Å; A341-S343 PolarHBondContact O-N 3Å; S343-A361 WeakPolarHBondContact OG-CB 3.47Å; S343-R387 VanDerWaalsContact CB-CZ 3.42Å; S343-R387 PolarHBondContact OG-NE 2.74Å | ||
| 344 | V | 47.1 | Very low | 56.3 | Low | 40 Ų | 40 | 81.1 Ų | 81.1 | 24% | 0.242 | 40% | 0.4 | C | S | . | . | S | Bend | trans | 99.7 | 146.4 | 164.8 | -161.2 | 0 | 0 | 0 | 0 | 116.3 | S346 N358 | V344-S346 PolarHBondContact O-N 3.24Å; V344-N358 WeakPolarHBondContact CA-OD1 3.32Å; V344-N358 PolarHBondContact N-OD1 3.45Å |
| 345 | R | 35.8 | Very low | 53.6 | Low | 119 Ų | 119 | 87.6 Ų | 87.6 | 45% | 0.449 | 43% | 0.425 | S | S | . | . | trans | -45.3 | 105.4 | 169.3 | -67.6 | 171 | 159 | 133.8 | -2.4 | 112 | D182 F347 T356 | D182-R345 PolarHBondContact O-NH2 3.35Å; R345-F347 HydrophobicContact CB-CD2 4.34Å; R345-F347 PolarHBondContact O-N 2.96Å; R345-F347 VanDerWaalsContact O-N 3.07Å; R345-T356 VanDerWaalsContact CA-CG2 3.49Å; R345-T356 HydrophobicContact CB-CG2 3.86Å; R345-T356 HydrophobicContact CG-CG2 3.97Å | ||
| 346 | S | 26.9 | Very low | 50.7 | Low | 39 Ų | 39 | 83.3 Ų | 83.3 | 27% | 0.273 | 42% | 0.418 | S | S | . | . | trans | -70.6 | 101.9 | 155.9 | -56 | 0 | 0 | 0 | 0 | 107.6 | V344 D348 | V344-S346 PolarHBondContact O-N 3.24Å; S346-D348 PolarHBondContact O-N 3.2Å | ||
| 347 | F | 25.2 | Very low | 48.1 | Very low | 170 Ų | 170 | 85 Ų | 85 | 75% | 0.746 | 42% | 0.423 | S | S | * | . | trans | -71.1 | 79.1 | 158.9 | -97.2 | -91.3 | 0 | 0 | 0 | 107 | R345 F349 | R345-F347 HydrophobicContact CB-CD2 4.34Å; R345-F347 PolarHBondContact O-N 2.96Å; R345-F347 VanDerWaalsContact O-N 3.07Å; F347-F349 PolarHBondContact O-N 2.67Å | ||
| 348 | D | 28 | Very low | 45.5 | Very low | 113 Ų | 113 | 84.8 Ų | 84.8 | 60% | 0.604 | 42% | 0.422 | S | S | * | . | trans | -79.3 | 110.8 | 157.8 | -68.1 | -27.4 | 0 | 0 | 0 | 105.1 | K294 S346 | K294-D348 WeakPolarHBondContact CE-OD2 3.28Å; K294-D348 IonicContact NZ-OD2 2.89Å; K294-D348 PolarHBondContact NZ-OD2 2.94Å; S346-D348 PolarHBondContact O-N 3.2Å | ||
| 349 | F | 25.8 | Very low | 43.2 | Very low | 197 Ų | 197 | 85.1 Ų | 85.1 | 86% | 0.864 | 42% | 0.424 | S | S | * | . | trans | -56.1 | 150.8 | 171.7 | -130.1 | -100.6 | 0 | 0 | 0 | 109.1 | F347 | F347-F349 PolarHBondContact O-N 2.67Š| ||
| 350 | E | 24.4 | Very low | 40.4 | Very low | 179 Ų | 179 | 85.2 Ų | 85.2 | 84% | 0.836 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 98 | 94.1 | 171.9 | -147.6 | 164.7 | -163.8 | 0 | 0 | 116.6 | A352 | E350-A352 PolarHBondContact O-N 3.35Š|
| 351 | F | 29.8 | Very low | 37.9 | Very low | 216 Ų | 216 | 85.5 Ų | 85.5 | 95% | 0.947 | 43% | 0.427 | S | S | * | . | S | Bend | trans | 48.5 | 57.1 | 148.1 | -131.7 | -92.2 | 0 | 0 | 0 | 118.2 | ||
| 352 | A | 24.2 | Very low | 35.8 | Very low | 93 Ų | 93 | 87.6 Ų | 87.6 | 77% | 0.769 | 44% | 0.435 | S | S | * | . | trans | -146.2 | 98.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | E350 H354 | E350-A352 PolarHBondContact O-N 3.35Å; A352-H354 PolarHBondContact O-N 2.91Å | ||
| 353 | V | 25.6 | Very low | 34 | Very low | 144 Ų | 144 | 87.6 Ų | 87.6 | 87% | 0.873 | 44% | 0.437 | S | S | * | . | trans | -54.6 | 127.1 | 165.2 | 170 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 354 | H | 26.8 | Very low | 33.3 | Very low | 141 Ų | 141 | 87.6 Ų | 87.6 | 65% | 0.653 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 85.5 | 81.4 | 157.5 | -132 | 84.8 | 0 | 0 | 0 | 119.5 | A352 | A352-H354 PolarHBondContact O-N 2.91Š|
| 355 | K | 26.1 | Very low | 33.5 | Very low | 143 Ų | 143 | 88.9 Ų | 88.9 | 62% | 0.622 | 44% | 0.441 | S | S | * | . | trans | 167.6 | 74.4 | 134 | -98.6 | 173.7 | 178.6 | 170.3 | 0 | 111.8 | W357 | K355-W357 PolarHBondContact O-N 2.9Š| ||
| 356 | T | 27.9 | Very low | 34.7 | Very low | 81 Ų | 81 | 83.4 Ų | 83.4 | 50% | 0.497 | 42% | 0.421 | S | S | . | . | trans | -87.3 | 103.5 | 169.3 | -47.1 | 0 | 0 | 0 | 0 | 109.3 | R345 | R345-T356 VanDerWaalsContact CA-CG2 3.49Å; R345-T356 HydrophobicContact CB-CG2 3.86Å; R345-T356 HydrophobicContact CG-CG2 3.97Å | ||
| 357 | W | 34.5 | Very low | 36.2 | Very low | 62 Ų | 62 | 83.9 Ų | 83.9 | 24% | 0.235 | 42% | 0.423 | C | S | . | . | trans | -87.6 | 106 | -167.8 | -177.8 | -88.2 | 0 | 0 | 0 | 111.9 | R103 E104 R324 K355 V359 | R103-W357 HydrophobicContact CB-CH2 3.83Å; R103-W357 HydrophobicContact CB-CZ3 4.29Å; R103-W357 HydrophobicContact CG-CH2 4.28Å; E104-W357 VanDerWaalsContact OE1-CH2 3.27Å; E104-W357 WeakPolarHBondContact OE1-CH2 3.41Å; E104-W357 WeakPolarHBondContact OE1-CZ2 3.49Å; E104-W357 WeakPolarHBondContact OE2-CH2 3.2Å; E104-W357 WeakPolarHBondContact OE2-CZ2 3.36Å; R324-W357 VanDerWaalsContact NH2-CE2 3.31Å; K355-W357 PolarHBondContact O-N 2.9Å; W357-V359 HydrophobicContact CD2-CG2 3.9Å; W357-V359 HydrophobicContact CG-CG2 4.11Å; W357-V359 HydrophobicContact CH2-CG2 4.34Å; W357-V359 HydrophobicContact CZ2-CB 4.23Å; W357-V359 HydrophobicContact CZ2-CG1 4.28Å; W357-V359 HydrophobicContact CZ2-CG2 3.41Å; W357-V359 VanDerWaalsContact CZ2-CG2 3.41Å; W357-V359 VanDerWaalsContact NE1-CB 3.25Å | ||
| 358 | N | 36.8 | Very low | 38.2 | Very low | 30 Ų | 30 | 80.6 Ų | 80.6 | 16% | 0.16 | 41% | 0.413 | C | S | . | . | trans | -106.2 | 99.2 | -179.5 | -124 | -2.4 | 0 | 0 | 0 | 109.1 | R179 V344 | R179-N358 PolarHBondContact NH2-ND2 3.37Å; V344-N358 WeakPolarHBondContact CA-OD1 3.32Å; V344-N358 PolarHBondContact N-OD1 3.45Å | ||
| 359 | V | 42.6 | Very low | 40.8 | Very low | 6 Ų | 6 | 75.4 Ų | 75.4 | 4% | 0.036 | 39% | 0.386 | C | S | . | . | trans | -133.3 | -24.7 | -166.8 | 163.4 | 0 | 0 | 0 | 0 | 116.7 | E104 V315 W357 A361 L364 | E104-V359 HydrophobicContact CB-CG1 4.49Å; E104-V359 HydrophobicContact CG-CG1 3.68Å; E104-V359 VanDerWaalsContact OE2-CG2 3.31Å; E104-V359 WeakPolarHBondContact OE2-CG2 3.39Å; V315-V359 HydrophobicContact CG1-CG1 4.34Å; W357-V359 HydrophobicContact CD2-CG2 3.9Å; W357-V359 HydrophobicContact CG-CG2 4.11Å; W357-V359 HydrophobicContact CH2-CG2 4.34Å; W357-V359 HydrophobicContact CZ2-CB 4.23Å; W357-V359 HydrophobicContact CZ2-CG1 4.28Å; W357-V359 HydrophobicContact CZ2-CG2 3.41Å; W357-V359 VanDerWaalsContact CZ2-CG2 3.41Å; W357-V359 VanDerWaalsContact NE1-CB 3.25Å; V359-A361 PolarHBondContact O-N 2.89Å; V359-L364 HydrophobicContact CG1-CD1 4.04Å; V359-L364 WeakPolarHBondContact O-CD1 3.42Å | ||
| 360 | A | 35.3 | Very low | 43.7 | Very low | 3 Ų | 3 | 68.4 Ų | 68.4 | 3% | 0.025 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -85.2 | -10.5 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V315 A341 | V315-A360 HydrophobicContact CB-CB 4.25Å; V315-A360 HydrophobicContact CG1-CB 4.1Å; V315-A360 WeakPolarHBondContact O-CB 3.4Å; A341-A360 HydrophobicContact CB-CB 3.23Å |
| 361 | A | 40 | Very low | 46.9 | Very low | 7 Ų | 7 | 60 Ų | 60 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -118.5 | -22.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117 | F290 S343 V359 R387 R390 | F290-A361 HydrophobicContact CD1-CB 3.87Å; F290-A361 VanDerWaalsContact CE1-CA 3.47Å; F290-A361 HydrophobicContact CE1-CB 3.16Å; F290-A361 HydrophobicContact CZ-CB 3.62Å; S343-A361 WeakPolarHBondContact OG-CB 3.47Å; V359-A361 PolarHBondContact O-N 2.89Å; A361-R387 HydrophobicContact CB-CG 4.29Å; A361-R390 WeakPolarHBondContact O-CD 3.43Å; A361-R390 PolarHBondContact O-NE 3.06Å; A361-R390 PolarHBondContact O-NH2 2.88Å |
| 362 | R | 45.3 | Very low | 49.8 | Very low | 43 Ų | 43 | 49.7 Ų | 49.7 | 16% | 0.162 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -128.7 | 146.7 | -172.4 | -68.9 | 179.6 | 172.4 | 166.1 | -18.3 | 110 | L364 D382 D383 H386 | R362-L364 PolarHBondContact O-N 3.17Å; R362-D382 VanDerWaalsContact NH2-C 3.3Å; R362-D382 PolarHBondContact NH2-O 2.84Å; R362-D383 IonicContact CZ-OD1 2.74Å; R362-D383 IonicContact NH1-OD1 3.97Å; R362-D383 PolarHBondContact NH1-OD1 2.75Å; R362-D383 IonicContact NH1-OD2 3.2Å; R362-D383 VanDerWaalsContact NH2-CG 3.33Å; R362-D383 IonicContact NH2-OD1 3.92Å; R362-D383 PolarHBondContact NH2-OD1 3.36Å; R362-H386 HydrophobicContact CG-CB 4.31Å; R362-H386 VanDerWaalsContact CZ-ND1 3.29Å; R362-H386 PolarHBondContact NE-ND1 3.07Å; R362-H386 PolarHBondContact NH2-ND1 2.91Å |
| 363 | G | 44.5 | Very low | 53.1 | Low | 7 Ų | 7 | 45.2 Ų | 45.2 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 73.4 | -33.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | Q108 E176 D365 | Q108-G363 PolarHBondContact NE2-O 3.48Å; Q108-G363 PolarHBondContact OE1-O 3.43Å; E176-G363 WeakPolarHBondContact OE1-CA 3.49Å; E176-G363 PolarHBondContact OE1-N 3.15Å; E176-G363 VanDerWaalsContact OE1-N 3.13Å; G363-D365 PolarHBondContact O-N 3.26Å |
| 364 | L | 47.1 | Very low | 56.4 | Low | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | trans | -69 | 117.7 | 176.6 | -76.7 | 170.3 | 0 | 0 | 0 | 110.8 | E104 L328 V359 R362 I366 R390 | E104-L364 HydrophobicContact CB-CD2 3.86Å; E104-L364 HydrophobicContact CB-CG 4.36Å; E104-L364 HydrophobicContact CG-CD2 4.02Å; L328-L364 HydrophobicContact CD1-CD1 3.92Å; L328-L364 HydrophobicContact CD1-CD2 3.94Å; L328-L364 HydrophobicContact CD2-CD1 4Å; V359-L364 HydrophobicContact CG1-CD1 4.04Å; V359-L364 WeakPolarHBondContact O-CD1 3.42Å; R362-L364 PolarHBondContact O-N 3.17Å; L364-I366 HydrophobicContact CB-CD1 4.11Å; L364-I366 HydrophobicContact CB-CG1 3.85Å; L364-I366 PolarHBondContact O-N 2.89Å; L364-I366 VanDerWaalsContact O-N 3.12Å; L364-R390 PolarHBondContact O-NH1 2.94Å | ||
| 365 | D | 51.2 | Low | 59.8 | Low | 67 Ų | 67 | 32 Ų | 32 | 36% | 0.358 | 16% | 0.162 | S | C | . | . | trans | -70.1 | 103 | 162.6 | -170.7 | 31.7 | 0 | 0 | 0 | 108.3 | R332 G363 P367 R393 | R332-D365 PolarHBondContact NE-O 3.06Å; R332-D365 PolarHBondContact NH2-O 3.06Å; G363-D365 PolarHBondContact O-N 3.26Å; D365-P367 WeakPolarHBondContact O-CD 3.36Å; D365-R393 IonicContact OD1-NH1 2.74Å; D365-R393 PolarHBondContact OD1-NH1 2.95Å | ||
| 366 | I | 61.3 | Low | 63 | Low | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | trans | -113.2 | 92.1 | 175 | -51.8 | 174.6 | 0 | 0 | 0 | 106.2 | L288 F331 L339 L364 V369 | L288-I366 HydrophobicContact CD2-CD1 4.19Å; F331-I366 HydrophobicContact CD1-CG2 3.63Å; F331-I366 HydrophobicContact CE1-CG2 3.33Å; L339-I366 HydrophobicContact CD2-CD1 4.16Å; L364-I366 HydrophobicContact CB-CD1 4.11Å; L364-I366 HydrophobicContact CB-CG1 3.85Å; L364-I366 PolarHBondContact O-N 2.89Å; L364-I366 VanDerWaalsContact O-N 3.12Å; I366-V369 HydrophobicContact CB-CG2 4.37Å; I366-V369 HydrophobicContact CG2-CG2 3.72Å | ||
| 367 | P | 57.7 | Low | 66 | Low | 49 Ų | 49 | 22.1 Ų | 22.1 | 32% | 0.318 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 143 | -175.3 | 26.1 | -32.6 | 0 | 0 | 0 | 111.7 | R286 D365 | R286-P367 PolarHBondContact NH1-O 3.1Å; R286-P367 VanDerWaalsContact NH1-O 3.14Å; D365-P367 WeakPolarHBondContact O-CD 3.36Å |
| 368 | N | 67.1 | Low | 68.5 | Low | 101 Ų | 101 | 19.3 Ų | 19.3 | 54% | 0.54 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 34.3 | 169.6 | -56 | -14.4 | 0 | 0 | 0 | 116.2 | K370 | N368-K370 PolarHBondContact O-N 3.13Š|
| 369 | V | 83.2 | Confident | 70.5 | Confident | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.03 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 118.9 | 162.3 | -177.2 | 0 | 0 | 0 | 0 | 108 | L288 F331 I366 H371 V372 T391 | L288-V369 HydrophobicContact CB-CG1 3.72Å; L288-V369 HydrophobicContact CB-CG2 4.28Å; F331-V369 HydrophobicContact CE1-CG2 3.96Å; F331-V369 HydrophobicContact CZ-CG2 4.16Å; I366-V369 HydrophobicContact CB-CG2 4.37Å; I366-V369 HydrophobicContact CG2-CG2 3.72Å; V369-H371 VanDerWaalsContact CG1-O 3.25Å; V369-H371 WeakPolarHBondContact CG1-O 3.31Å; V369-V372 HydrophobicContact CG1-CG2 3.96Å; V369-T391 WeakPolarHBondContact O-CA 3.19Å; V369-T391 WeakPolarHBondContact O-CB 3.44Å; V369-T391 PolarHBondContact O-OG1 3.04Å |
| 370 | K | 86.8 | Confident | 72.3 | Confident | 49 Ų | 49 | 23.6 Ų | 23.6 | 21% | 0.213 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -30 | 175.2 | -59.4 | -80.8 | -170.3 | 166.3 | 0 | 111.4 | V285 R286 N368 T391 L399 | V285-K370 HydrophobicContact CG1-CB 3.4Å; V285-K370 HydrophobicContact CG1-CG 3.64Å; R286-K370 PolarHBondContact O-N 3.19Å; R286-K370 VanDerWaalsContact O-N 3.09Å; N368-K370 PolarHBondContact O-N 3.13Å; K370-T391 VanDerWaalsContact C-OG1 3.26Å; K370-T391 PolarHBondContact O-OG1 2.86Å; K370-L399 PolarHBondContact O-N 3.11Å |
| 371 | H | 90.4 | Very high | 74.5 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119 | -179.6 | -168.4 | -170.6 | 0 | 0 | 0 | 111.8 | S277 R286 K287 L288 V369 L399 T401 | S277-H371 VanDerWaalsContact CB-CE1 3.41Å; S277-H371 WeakPolarHBondContact CB-CE1 3.5Å; S277-H371 VanDerWaalsContact CB-ND1 3.34Å; S277-H371 WeakPolarHBondContact CB-ND1 3.3Å; S277-H371 PolarHBondContact OG-CE1 3.42Å; S277-H371 PolarHBondContact OG-ND1 3.22Å; S277-H371 VanDerWaalsContact OG-ND1 3.1Å; R286-H371 PolarHBondContact O-N 2.81Å; K287-H371 CarbonylContact C-O 3.55Å; K287-H371 VanDerWaalsContact CA-O 3.3Å; K287-H371 WeakPolarHBondContact CA-O 3.43Å; K287-H371 HydrophobicContact CG-CB 4.35Å; L288-H371 PolarHBondContact N-O 2.67Å; V369-H371 VanDerWaalsContact CG1-O 3.25Å; V369-H371 WeakPolarHBondContact CG1-O 3.31Å; H371-L399 CarbonylContact C-O 3.49Å; H371-L399 WeakPolarHBondContact CA-O 3.49Å; H371-L399 PolarHBondContact CD2-O 2.92Å; H371-L399 WeakPolarHBondContact NE2-CD2 3.22Å; H371-T401 WeakPolarHBondContact NE2-CB 3.35Å; H371-T401 PolarHBondContact NE2-OG1 3.12Å |
| 372 | V | 91.1 | Very high | 76 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.8 | 167.9 | 171.8 | 0 | 0 | 0 | 0 | 108.7 | L288 F290 V369 R390 T391 L399 A400 T401 | L288-V372 HydrophobicContact CB-CG2 4.49Å; L288-V372 CarbonylContact O-C 3.48Å; L288-V372 WeakPolarHBondContact O-CA 3.34Å; F290-V372 HydrophobicContact CD2-CG1 3.88Å; F290-V372 HydrophobicContact CE2-CG1 3.73Å; V369-V372 HydrophobicContact CG1-CG2 3.96Å; V372-R390 HydrophobicContact CG2-CB 3.84Å; V372-T391 HydrophobicContact CB-CG2 4.29Å; V372-T391 HydrophobicContact CG2-CG2 3.94Å; V372-L399 PolarHBondContact N-O 3.39Å; V372-A400 CarbonylContact O-C 3.52Å; V372-A400 VanDerWaalsContact O-CA 3.26Å; V372-A400 WeakPolarHBondContact O-CA 3.42Å; V372-T401 PolarHBondContact O-N 2.93Å |
| 373 | I | 94.3 | Very high | 77.3 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 114.4 | 177.3 | -58.8 | 163.8 | 0 | 0 | 0 | 108.3 | L269 L272 L273 L288 I289 F290 Y375 T401 | L269-I373 HydrophobicContact CD1-CD1 4.12Å; L269-I373 HydrophobicContact CD1-CG2 4.12Å; L272-I373 HydrophobicContact CD2-CD1 3.65Å; L272-I373 HydrophobicContact CD2-CG1 3.79Å; L272-I373 HydrophobicContact CD2-CG2 3.97Å; L272-I373 HydrophobicContact CG-CD1 4.5Å; L273-I373 HydrophobicContact CD2-CD1 3.91Å; L288-I373 PolarHBondContact O-N 3.2Å; I289-I373 CarbonylContact C-O 3.53Å; I289-I373 VanDerWaalsContact CA-O 3.29Å; I289-I373 WeakPolarHBondContact CA-O 3.3Å; I289-I373 HydrophobicContact CG1-CB 4.11Å; I289-I373 HydrophobicContact CG1-CD1 3.99Å; I289-I373 HydrophobicContact CG2-CB 4.43Å; I289-I373 HydrophobicContact CG2-CG2 4.43Å; F290-I373 PolarHBondContact N-O 2.81Å; I373-Y375 PolarHBondContact O-N 3.09Å; I373-T401 CarbonylContact C-O 3.58Å; I373-T401 VanDerWaalsContact CA-O 3.24Å; I373-T401 WeakPolarHBondContact CA-O 3.28Å |
| 374 | N | 95.1 | Very high | 79.2 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 92.3 | 165.1 | -64.1 | -54.9 | 0 | 0 | 0 | 107.8 | D376 R387 T401 S402 L403 | N374-D376 VanDerWaalsContact C-N 3.33Å; N374-R387 WeakPolarHBondContact OD1-CD 3.5Å; N374-T401 PolarHBondContact N-O 3.05Å; N374-S402 PolarHBondContact ND2-OG 3.36Å; N374-L403 PolarHBondContact O-N 3.43Å |
| 375 | Y | 96.9 | Very high | 80.6 | Confident | 6 Ų | 6 | 25.9 Ų | 25.9 | 2% | 0.024 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -66 | -42.8 | 172.6 | -178.6 | -76.3 | 0 | 0 | 0 | 110.1 | K265 P266 L269 F290 V291 K296 L300 I373 L403 | K265-Y375 HydrophobicContact CB-CD2 4.5Å; K265-Y375 HydrophobicContact CB-CE1 3.89Å; K265-Y375 HydrophobicContact CB-CE2 3.68Å; K265-Y375 WeakPolarHBondContact CB-OH 3.44Å; K265-Y375 HydrophobicContact CD-CD1 4.18Å; K265-Y375 HydrophobicContact CD-CE1 3.69Å; K265-Y375 WeakPolarHBondContact CE-O 3.37Å; K265-Y375 HydrophobicContact CG-CE1 4.48Å; K265-Y375 PolarHBondContact NZ-O 3.39Å; K265-Y375 WeakPolarHBondContact O-CE2 3.42Å; P266-Y375 VanDerWaalsContact CD-OH 3.25Å; P266-Y375 WeakPolarHBondContact CD-OH 3.36Å; P266-Y375 WeakPolarHBondContact CG-OH 3.13Å; L269-Y375 HydrophobicContact CB-CD2 4.1Å; L269-Y375 HydrophobicContact CB-CE2 4.07Å; L269-Y375 HydrophobicContact CD1-CD2 4.47Å; L269-Y375 HydrophobicContact CD2-CD2 3.87Å; L269-Y375 HydrophobicContact CD2-CE2 4.06Å; L269-Y375 HydrophobicContact CG-CD2 4.36Å; F290-Y375 WeakPolarHBondContact O-CA 3.28Å; F290-Y375 VanDerWaalsContact O-CB 3.32Å; F290-Y375 WeakPolarHBondContact O-CB 3.48Å; F290-Y375 PolarHBondContact O-N 2.78Å; V291-Y375 HydrophobicContact CG1-CD1 4.01Å; V291-Y375 HydrophobicContact CG1-CG 4.03Å; K296-Y375 HydrophobicContact CD-CD1 3.96Å; K296-Y375 HydrophobicContact CD-CE1 3.62Å; K296-Y375 HydrophobicContact CG-CE1 4.4Å; L300-Y375 HydrophobicContact CD1-CD1 4.19Å; L300-Y375 HydrophobicContact CD1-CD2 3.88Å; L300-Y375 HydrophobicContact CD1-CE1 4.11Å; L300-Y375 HydrophobicContact CD1-CE2 3.69Å; L300-Y375 HydrophobicContact CD1-CG 4.1Å; L300-Y375 HydrophobicContact CD2-CE2 3.98Å; I373-Y375 PolarHBondContact O-N 3.09Å; Y375-L403 HydrophobicContact CD2-CD1 3.95Å; Y375-L403 HydrophobicContact CE2-CD1 4.42Å; Y375-L403 HydrophobicContact CG-CD1 4.32Å |
| 376 | D | 94.3 | Very high | 81.7 | Confident | 6 Ų | 6 | 24.1 Ų | 24.1 | 3% | 0.032 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -111.9 | 120.3 | 166.4 | -62.2 | -43.6 | 0 | 0 | 0 | 108.8 | K265 F290 V291 E292 K296 N374 R387 | K265-D376 IonicContact NZ-OD1 3.79Å; K265-D376 PolarHBondContact NZ-OD1 3.27Å; F290-D376 PolarHBondContact O-N 3.33Å; F290-D376 VanDerWaalsContact O-N 3.12Å; V291-D376 WeakPolarHBondContact CA-OD2 3.44Å; E292-D376 HydrophobicContact CB-CB 4Å; E292-D376 PolarHBondContact N-OD2 3.31Å; K296-D376 WeakPolarHBondContact CD-OD2 3.32Å; K296-D376 VanDerWaalsContact NZ-CG 3.28Å; K296-D376 IonicContact NZ-OD1 2.72Å; K296-D376 PolarHBondContact NZ-OD1 2.99Å; K296-D376 IonicContact NZ-OD2 2.82Å; K296-D376 PolarHBondContact NZ-OD2 3.4Å; N374-D376 VanDerWaalsContact C-N 3.33Å; D376-R387 PolarHBondContact O-NH1 3.12Å |
| 377 | L | 91.3 | Very high | 82.7 | Confident | 11 Ų | 11 | 24.2 Ų | 24.2 | 6% | 0.058 | 13% | 0.134 | C | C | . | . | trans | -60.1 | 140.2 | 171.9 | -90.2 | 174 | 0 | 0 | 0 | 110.5 | Y384 C404 N408 I411 F412 | L377-Y384 HydrophobicContact CD2-CD2 3.66Å; L377-Y384 HydrophobicContact CD2-CE2 3.69Å; L377-C404 HydrophobicContact CD1-CB 4.05Å; L377-C404 VanDerWaalsContact CD1-SG 3.55Å; L377-N408 HydrophobicContact CB-CB 4.31Å; L377-N408 HydrophobicContact CD1-CB 3.77Å; L377-I411 HydrophobicContact CD1-CG2 4.37Å; L377-F412 HydrophobicContact CD1-CE1 4.22Å | ||
| 378 | P | 85.5 | Confident | 83.9 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.019 | 12% | 0.119 | C | C | . | . | trans | -65.6 | 161.1 | 168.6 | 25.7 | -27.7 | 0 | 0 | 0 | 111.4 | D383 Y384 I411 | P378-D383 HydrophobicContact CB-CB 3.42Å; P378-D383 VanDerWaalsContact CB-CB 3.42Å; P378-D383 HydrophobicContact CG-CB 3.99Å; P378-Y384 HydrophobicContact CG-CD2 4.32Å; P378-I411 HydrophobicContact CG-CD1 4.09Å; P378-I411 VanDerWaalsContact O-CD1 3.28Å; P378-I411 WeakPolarHBondContact O-CD1 3.42Å | ||
| 379 | S | 80.6 | Confident | 84.5 | Confident | 72 Ų | 72 | 18.2 Ų | 18.2 | 50% | 0.503 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -80.4 | -14.2 | 177.8 | 55.1 | 0 | 0 | 0 | 0 | 114.4 | N410 | S379-N410 PolarHBondContact O-ND2 3.31Š|
| 380 | N | 79.2 | Confident | 84.2 | Confident | 54 Ų | 54 | 19.5 Ų | 19.5 | 29% | 0.289 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -134 | 155.3 | 179.9 | 72.5 | 71 | 0 | 0 | 0 | 111.4 | D382 D383 Y384 I411 | N380-D382 PolarHBondContact OD1-N 3.42Å; N380-D383 PolarHBondContact ND2-OD1 3.12Å; N380-D383 VanDerWaalsContact ND2-OD1 3.07Å; N380-D383 WeakPolarHBondContact OD1-CB 3.28Å; N380-D383 PolarHBondContact OD1-N 2.92Å; N380-D383 PolarHBondContact OD1-OD1 3.36Å; N380-D383 VanDerWaalsContact OD1-OD1 3.11Å; N380-Y384 PolarHBondContact O-N 3.31Å; N380-I411 VanDerWaalsContact C-CD1 3.45Å; N380-I411 VanDerWaalsContact O-CD1 3.25Å; N380-I411 WeakPolarHBondContact O-CD1 3.38Å |
| 381 | I | 81.2 | Confident | 83.9 | Confident | 19 Ų | 19 | 17.3 Ų | 17.3 | 10% | 0.097 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71.5 | -29.7 | -173.9 | -166.1 | 60.6 | 0 | 0 | 0 | 113.4 | Y384 V385 I411 D414 L415 V418 | I381-Y384 HydrophobicContact CD1-CD1 3.98Å; I381-Y384 HydrophobicContact CD1-CG 4.33Å; I381-Y384 VanDerWaalsContact O-CB 3.28Å; I381-Y384 WeakPolarHBondContact O-CB 3.25Å; I381-Y384 PolarHBondContact O-N 2.79Å; I381-Y384 VanDerWaalsContact O-N 3.12Å; I381-V385 HydrophobicContact CG1-CG2 4.44Å; I381-V385 WeakPolarHBondContact O-CG2 3.24Å; I381-V385 PolarHBondContact O-N 3.31Å; I381-I411 HydrophobicContact CD1-CG1 4.5Å; I381-D414 HydrophobicContact CB-CB 3.71Å; I381-D414 HydrophobicContact CD1-CB 4.32Å; I381-D414 HydrophobicContact CG1-CB 3.98Å; I381-D414 HydrophobicContact CG2-CB 4.04Å; I381-L415 HydrophobicContact CD1-CB 4.28Å; I381-L415 HydrophobicContact CD1-CD1 4.2Å; I381-V418 HydrophobicContact CD1-CB 4.34Å; I381-V418 HydrophobicContact CD1-CG2 4.03Å; I381-V418 HydrophobicContact CG1-CG2 3.68Å |
| 382 | D | 71 | Confident | 83.1 | Confident | 65 Ų | 65 | 17.8 Ų | 17.8 | 35% | 0.348 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -67.6 | -40.7 | 179.1 | -59.2 | -40.7 | 0 | 0 | 0 | 111.4 | T212 R362 N380 Y384 H386 | T212-D382 HydrophobicContact CG2-CB 3.78Å; R362-D382 VanDerWaalsContact NH2-C 3.3Å; R362-D382 PolarHBondContact NH2-O 2.84Å; N380-D382 PolarHBondContact OD1-N 3.42Å; D382-Y384 VanDerWaalsContact C-N 3.29Å; D382-Y384 PolarHBondContact O-N 2.91Å; D382-H386 VanDerWaalsContact O-CB 3.3Å; D382-H386 WeakPolarHBondContact O-CB 2.78Å; D382-H386 PolarHBondContact O-CD2 3.18Å; D382-H386 PolarHBondContact O-N 2.79Å |
| 383 | D | 74.4 | Confident | 82.1 | Confident | 20 Ų | 20 | 21.6 Ų | 21.6 | 11% | 0.107 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60 | -41.4 | 170.2 | -79.4 | 36 | 0 | 0 | 0 | 110.8 | R362 P378 N380 H386 R387 | R362-D383 IonicContact CZ-OD1 2.74Å; R362-D383 IonicContact NH1-OD1 3.97Å; R362-D383 PolarHBondContact NH1-OD1 2.75Å; R362-D383 IonicContact NH1-OD2 3.2Å; R362-D383 VanDerWaalsContact NH2-CG 3.33Å; R362-D383 IonicContact NH2-OD1 3.92Å; R362-D383 PolarHBondContact NH2-OD1 3.36Å; P378-D383 HydrophobicContact CB-CB 3.42Å; P378-D383 VanDerWaalsContact CB-CB 3.42Å; P378-D383 HydrophobicContact CG-CB 3.99Å; N380-D383 PolarHBondContact ND2-OD1 3.12Å; N380-D383 VanDerWaalsContact ND2-OD1 3.07Å; N380-D383 WeakPolarHBondContact OD1-CB 3.28Å; N380-D383 PolarHBondContact OD1-N 2.92Å; N380-D383 PolarHBondContact OD1-OD1 3.36Å; N380-D383 VanDerWaalsContact OD1-OD1 3.11Å; D383-H386 PolarHBondContact O-N 2.99Å; D383-R387 WeakPolarHBondContact O-CB 3.42Å; D383-R387 WeakPolarHBondContact O-CG 3.26Å; D383-R387 PolarHBondContact O-N 3.42Å |
| 384 | Y | 83.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -54.4 | 177.2 | -179.8 | -96.6 | 0 | 0 | 0 | 111.8 | I249 Q255 L377 P378 N380 I381 D382 H386 R387 I388 S402 L415 | I249-Y384 HydrophobicContact CD1-CD1 4.47Å; I249-Y384 HydrophobicContact CD1-CE1 3.92Å; Q255-Y384 PolarHBondContact OE1-OH 3.11Å; L377-Y384 HydrophobicContact CD2-CD2 3.66Å; L377-Y384 HydrophobicContact CD2-CE2 3.69Å; P378-Y384 HydrophobicContact CG-CD2 4.32Å; N380-Y384 PolarHBondContact O-N 3.31Å; I381-Y384 HydrophobicContact CD1-CD1 3.98Å; I381-Y384 HydrophobicContact CD1-CG 4.33Å; I381-Y384 VanDerWaalsContact O-CB 3.28Å; I381-Y384 WeakPolarHBondContact O-CB 3.25Å; I381-Y384 PolarHBondContact O-N 2.79Å; I381-Y384 VanDerWaalsContact O-N 3.12Å; D382-Y384 VanDerWaalsContact C-N 3.29Å; D382-Y384 PolarHBondContact O-N 2.91Å; Y384-H386 VanDerWaalsContact C-N 3.28Å; Y384-H386 PolarHBondContact O-N 3.2Å; Y384-R387 PolarHBondContact O-N 3.29Å; Y384-R387 VanDerWaalsContact O-N 3.16Å; Y384-I388 HydrophobicContact CD1-CD1 4.14Å; Y384-I388 HydrophobicContact CE1-CD1 3.65Å; Y384-I388 HydrophobicContact CE1-CG2 4.34Å; Y384-I388 HydrophobicContact CE2-CG2 4.28Å; Y384-I388 WeakPolarHBondContact O-CG1 3.32Å; Y384-I388 PolarHBondContact O-N 2.93Å; Y384-S402 WeakPolarHBondContact CE2-OG 3.35Å; Y384-L415 HydrophobicContact CD1-CD1 3.81Å; Y384-L415 HydrophobicContact CD2-CD1 4.37Å; Y384-L415 HydrophobicContact CE1-CD1 3.34Å; Y384-L415 HydrophobicContact CE2-CD1 3.97Å; Y384-L415 HydrophobicContact CG-CD1 4.29Å; Y384-L415 VanDerWaalsContact CZ-CD1 3.43Å |
| 385 | V | 77.7 | Confident | 79.1 | Confident | 11 Ų | 11 | 32.6 Ų | 32.6 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.1 | -41.5 | -180 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | G247 I249 I381 R387 I388 G389 | G247-V385 WeakPolarHBondContact O-CG2 3.24Å; I249-V385 HydrophobicContact CG1-CG2 4.1Å; I381-V385 HydrophobicContact CG1-CG2 4.44Å; I381-V385 WeakPolarHBondContact O-CG2 3.24Å; I381-V385 PolarHBondContact O-N 3.31Å; V385-R387 PolarHBondContact O-N 2.92Å; V385-I388 WeakPolarHBondContact O-CG1 3.43Å; V385-G389 PolarHBondContact O-N 2.92Å |
| 386 | H | 73 | Confident | 77.9 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 14% | 0.139 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.6 | -35.7 | 178.4 | -70.4 | 179.6 | 0 | 0 | 0 | 113.7 | A211 R362 D382 D383 Y384 R390 | A211-H386 WeakPolarHBondContact CB-CE1 3.37Å; A211-H386 WeakPolarHBondContact CB-NE2 3.29Å; R362-H386 HydrophobicContact CG-CB 4.31Å; R362-H386 VanDerWaalsContact CZ-ND1 3.29Å; R362-H386 PolarHBondContact NE-ND1 3.07Å; R362-H386 PolarHBondContact NH2-ND1 2.91Å; D382-H386 VanDerWaalsContact O-CB 3.3Å; D382-H386 WeakPolarHBondContact O-CB 2.78Å; D382-H386 PolarHBondContact O-CD2 3.18Å; D382-H386 PolarHBondContact O-N 2.79Å; D383-H386 PolarHBondContact O-N 2.99Å; Y384-H386 VanDerWaalsContact C-N 3.28Å; Y384-H386 PolarHBondContact O-N 3.2Å; H386-R390 PolarHBondContact O-NE 2.81Å |
| 387 | R | 83.2 | Confident | 77.3 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.5 | -50.5 | 176.9 | -77 | 177.2 | -167 | -165.3 | 8.8 | 110.6 | F290 S343 A361 N374 D376 D383 Y384 V385 G389 R390 | F290-R387 HydrophobicContact CD1-CG 4.38Å; F290-R387 HydrophobicContact CD2-CB 3.68Å; F290-R387 HydrophobicContact CD2-CG 3.65Å; F290-R387 HydrophobicContact CE1-CG 4.45Å; F290-R387 HydrophobicContact CE2-CB 3.53Å; F290-R387 HydrophobicContact CE2-CG 3.69Å; F290-R387 HydrophobicContact CG-CB 4.5Å; F290-R387 HydrophobicContact CG-CG 3.99Å; F290-R387 HydrophobicContact CZ-CB 4.29Å; F290-R387 HydrophobicContact CZ-CG 4.08Å; S343-R387 VanDerWaalsContact CB-CZ 3.42Å; S343-R387 PolarHBondContact OG-NE 2.74Å; A361-R387 HydrophobicContact CB-CG 4.29Å; N374-R387 WeakPolarHBondContact OD1-CD 3.5Å; D376-R387 PolarHBondContact O-NH1 3.12Å; D383-R387 WeakPolarHBondContact O-CB 3.42Å; D383-R387 WeakPolarHBondContact O-CG 3.26Å; D383-R387 PolarHBondContact O-N 3.42Å; Y384-R387 PolarHBondContact O-N 3.29Å; Y384-R387 VanDerWaalsContact O-N 3.16Å; V385-R387 PolarHBondContact O-N 2.92Å; R387-G389 VanDerWaalsContact C-N 3.31Å; R387-G389 PolarHBondContact O-N 3.48Å; R387-R390 VanDerWaalsContact O-CB 3.32Å; R387-R390 WeakPolarHBondContact O-CB 3.34Å; R387-R390 WeakPolarHBondContact O-CG 3.46Å; R387-R390 PolarHBondContact O-N 3.23Å |
| 388 | I | 83.4 | Confident | 77 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70 | -30.6 | -178.8 | 69.3 | 174.6 | 0 | 0 | 0 | 111.8 | I249 I253 Y384 V385 R390 T391 A400 | I249-I388 HydrophobicContact CB-CD1 4.22Å; I249-I388 HydrophobicContact CD1-CD1 3.69Å; I249-I388 HydrophobicContact CG1-CD1 3.81Å; I249-I388 HydrophobicContact CG2-CD1 3.46Å; I249-I388 VanDerWaalsContact CG2-CD1 3.46Å; I249-I388 HydrophobicContact CG2-CG1 4.45Å; I253-I388 WeakPolarHBondContact CD1-O 3.44Å; Y384-I388 HydrophobicContact CD1-CD1 4.14Å; Y384-I388 HydrophobicContact CE1-CD1 3.65Å; Y384-I388 HydrophobicContact CE1-CG2 4.34Å; Y384-I388 HydrophobicContact CE2-CG2 4.28Å; Y384-I388 WeakPolarHBondContact O-CG1 3.32Å; Y384-I388 PolarHBondContact O-N 2.93Å; V385-I388 WeakPolarHBondContact O-CG1 3.43Å; I388-R390 PolarHBondContact O-N 3.41Å; I388-T391 WeakPolarHBondContact O-CG2 3.43Å; I388-T391 PolarHBondContact O-N 3.3Å; I388-A400 HydrophobicContact CB-CB 3.75Å; I388-A400 HydrophobicContact CG2-CB 3.63Å |
| 389 | G | 78.2 | Confident | 77.3 | Confident | 25 Ų | 25 | 42.1 Ų | 42.1 | 26% | 0.258 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 0.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | V385 R387 T391 | V385-G389 PolarHBondContact O-N 2.92Å; R387-G389 VanDerWaalsContact C-N 3.31Å; R387-G389 PolarHBondContact O-N 3.48Å; G389-T391 VanDerWaalsContact C-N 3.3Å |
| 390 | R | 77 | Confident | 77.8 | Confident | 32 Ų | 32 | 38.7 Ų | 38.7 | 12% | 0.121 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -19.3 | 167.6 | -57 | -62.2 | 129.4 | 172.7 | 2 | 112.7 | L288 F290 A361 L364 V372 H386 R387 I388 | L288-R390 HydrophobicContact CD2-CB 3.98Å; L288-R390 HydrophobicContact CD2-CG 4.01Å; F290-R390 HydrophobicContact CE2-CG 4.45Å; F290-R390 HydrophobicContact CZ-CG 4.15Å; A361-R390 WeakPolarHBondContact O-CD 3.43Å; A361-R390 PolarHBondContact O-NE 3.06Å; A361-R390 PolarHBondContact O-NH2 2.88Å; L364-R390 PolarHBondContact O-NH1 2.94Å; V372-R390 HydrophobicContact CG2-CB 3.84Å; H386-R390 PolarHBondContact O-NE 2.81Å; R387-R390 VanDerWaalsContact O-CB 3.32Å; R387-R390 WeakPolarHBondContact O-CB 3.34Å; R387-R390 WeakPolarHBondContact O-CG 3.46Å; R387-R390 PolarHBondContact O-N 3.23Å; I388-R390 PolarHBondContact O-N 3.41Å |
| 391 | T | 80.4 | Confident | 78.5 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -105.8 | 175.8 | 170.9 | -170.2 | 0 | 0 | 0 | 0 | 111.5 | I253 V369 K370 V372 I388 G389 R393 G398 L399 | I253-T391 HydrophobicContact CD1-CG2 4.27Å; I253-T391 HydrophobicContact CG1-CG2 4.2Å; I253-T391 HydrophobicContact CG2-CG2 3.89Å; V369-T391 WeakPolarHBondContact O-CA 3.19Å; V369-T391 WeakPolarHBondContact O-CB 3.44Å; V369-T391 PolarHBondContact O-OG1 3.04Å; K370-T391 VanDerWaalsContact C-OG1 3.26Å; K370-T391 PolarHBondContact O-OG1 2.86Å; V372-T391 HydrophobicContact CB-CG2 4.29Å; V372-T391 HydrophobicContact CG2-CG2 3.94Å; I388-T391 WeakPolarHBondContact O-CG2 3.43Å; I388-T391 PolarHBondContact O-N 3.3Å; G389-T391 VanDerWaalsContact C-N 3.3Å; T391-R393 PolarHBondContact O-N 3.07Å; T391-G398 WeakPolarHBondContact OG1-CA 3.4Å; T391-L399 WeakPolarHBondContact CG2-O 3.37Å |
| 392 | G | 74.7 | Confident | 79.2 | Confident | 11 Ų | 11 | 35.2 Ų | 35.2 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 72.2 | 24.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T252 N396 | T252-G392 PolarHBondContact OG1-O 3.24Å; G392-N396 CarbonylContact C-O 3.56Å; G392-N396 VanDerWaalsContact CA-O 3.26Å; G392-N396 WeakPolarHBondContact CA-O 3.42Å |
| 393 | R | 68.6 | Low | 80.4 | Confident | 80 Ų | 80 | 32.1 Ų | 32.1 | 30% | 0.302 | 18% | 0.179 | S | C | . | . | trans | -83.2 | 152.4 | -176.5 | -67.3 | -175.9 | 169 | -163.2 | -2.8 | 112.5 | D365 T391 G395 N396 | D365-R393 IonicContact OD1-NH1 2.74Å; D365-R393 PolarHBondContact OD1-NH1 2.95Å; T391-R393 PolarHBondContact O-N 3.07Å; R393-G395 VanDerWaalsContact C-N 3.34Å; R393-G395 PolarHBondContact O-N 3.21Å; R393-N396 WeakPolarHBondContact O-CB 3.22Å; R393-N396 PolarHBondContact O-N 3.3Å; R393-N396 PolarHBondContact O-ND2 3.06Å | ||
| 394 | M | 62.8 | Low | 81.4 | Confident | 163 Ų | 163 | 31.2 Ų | 31.2 | 80% | 0.803 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 41.6 | 175.2 | -56.7 | -60.5 | -178.1 | 0 | 0 | 113.8 | N396 | M394-N396 PolarHBondContact O-N 3.37Å; M394-N396 VanDerWaalsContact O-N 3.13Å |
| 395 | G | 64.7 | Low | 81.8 | Confident | 69 Ų | 69 | 31.2 Ų | 31.2 | 71% | 0.711 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | -6.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R393 | R393-G395 VanDerWaalsContact C-N 3.34Å; R393-G395 PolarHBondContact O-N 3.21Å |
| 396 | N | 72.2 | Confident | 82.3 | Confident | 70 Ų | 70 | 35.9 Ų | 35.9 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | trans | -70.4 | 147.4 | 175.1 | -67.1 | -66 | 0 | 0 | 0 | 111.2 | G392 R393 M394 | G392-N396 CarbonylContact C-O 3.56Å; G392-N396 VanDerWaalsContact CA-O 3.26Å; G392-N396 WeakPolarHBondContact CA-O 3.42Å; R393-N396 WeakPolarHBondContact O-CB 3.22Å; R393-N396 PolarHBondContact O-N 3.3Å; R393-N396 PolarHBondContact O-ND2 3.06Å; M394-N396 PolarHBondContact O-N 3.37Å; M394-N396 VanDerWaalsContact O-N 3.13Å | ||
| 397 | Q | 80.8 | Confident | 83 | Confident | 151 Ų | 151 | 41.3 Ų | 41.3 | 71% | 0.706 | 22% | 0.223 | S | C | * | . | trans | -69.2 | 135.6 | 166.9 | -68.4 | -170.6 | -5.4 | 0 | 0 | 110.3 | T252 | T252-Q397 WeakPolarHBondContact O-CA 3.19Š| ||
| 398 | G | 85.8 | Confident | 83.3 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 153.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | T252 I253 K254 T391 | T252-G398 PolarHBondContact O-N 3.13Å; I253-G398 CarbonylContact C-O 3.54Å; I253-G398 WeakPolarHBondContact CA-O 3.39Å; K254-G398 PolarHBondContact N-O 2.99Å; T391-G398 WeakPolarHBondContact OG1-CA 3.4Å |
| 399 | L | 90.3 | Very high | 83.3 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.7 | 167.4 | -176.9 | 65.2 | 0 | 0 | 0 | 109.7 | K254 Q256 S277 L278 K370 H371 V372 T391 | K254-L399 HydrophobicContact CB-CD1 4.14Å; K254-L399 HydrophobicContact CD-CD1 4.26Å; K254-L399 HydrophobicContact CG-CD1 4.11Å; K254-L399 CarbonylContact O-C 3.45Å; K254-L399 WeakPolarHBondContact O-CA 3.43Å; Q256-L399 HydrophobicContact CG-CD1 4.23Å; S277-L399 VanDerWaalsContact CB-CD2 3.42Å; L278-L399 HydrophobicContact CD1-CB 3.87Å; L278-L399 HydrophobicContact CD1-CD2 4.35Å; L278-L399 HydrophobicContact CG-CD2 4.23Å; K370-L399 PolarHBondContact O-N 3.11Å; H371-L399 CarbonylContact C-O 3.49Å; H371-L399 WeakPolarHBondContact CA-O 3.49Å; H371-L399 PolarHBondContact CD2-O 2.92Å; H371-L399 WeakPolarHBondContact NE2-CD2 3.22Å; V372-L399 PolarHBondContact N-O 3.39Å; T391-L399 WeakPolarHBondContact CG2-O 3.37Å |
| 400 | A | 91.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 115.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I253 K254 Q255 Q256 V372 I388 | I253-A400 HydrophobicContact CG2-CB 3.67Å; K254-A400 PolarHBondContact O-N 3.31Å; Q255-A400 CarbonylContact C-O 3.37Å; Q255-A400 WeakPolarHBondContact CA-O 3.38Å; Q255-A400 HydrophobicContact CG-CB 4.43Å; Q256-A400 PolarHBondContact N-O 3.22Å; V372-A400 CarbonylContact O-C 3.52Å; V372-A400 VanDerWaalsContact O-CA 3.26Å; V372-A400 WeakPolarHBondContact O-CA 3.42Å; I388-A400 HydrophobicContact CB-CB 3.75Å; I388-A400 HydrophobicContact CG2-CB 3.63Å |
| 401 | T | 94.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 133.4 | 174.7 | -54 | 0 | 0 | 0 | 0 | 109.5 | Q256 M258 L272 H371 V372 I373 N374 | Q256-T401 HydrophobicContact CB-CG2 4.19Å; Q256-T401 CarbonylContact O-C 3.43Å; Q256-T401 VanDerWaalsContact O-CA 3.24Å; Q256-T401 WeakPolarHBondContact O-CA 3.3Å; Q256-T401 PolarHBondContact OE1-OG1 2.91Å; M258-T401 HydrophobicContact CG-CG2 4.22Å; M258-T401 HydrophobicContact SD-CG2 3.67Å; L272-T401 HydrophobicContact CD1-CG2 4Å; L272-T401 HydrophobicContact CD2-CG2 3.84Å; H371-T401 WeakPolarHBondContact NE2-CB 3.35Å; H371-T401 PolarHBondContact NE2-OG1 3.12Å; V372-T401 PolarHBondContact O-N 2.93Å; I373-T401 CarbonylContact C-O 3.58Å; I373-T401 VanDerWaalsContact CA-O 3.24Å; I373-T401 WeakPolarHBondContact CA-O 3.28Å; N374-T401 PolarHBondContact N-O 3.05Å |
| 402 | S | 95.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 123.6 | -180 | -56.4 | 0 | 0 | 0 | 0 | 111 | Q256 L257 M258 N374 Y384 C404 | Q256-S402 PolarHBondContact O-N 3.2Å; L257-S402 WeakPolarHBondContact CA-O 3.19Å; M258-S402 PolarHBondContact N-O 3.45Å; N374-S402 PolarHBondContact ND2-OG 3.36Å; Y384-S402 WeakPolarHBondContact CE2-OG 3.35Å; S402-C404 PolarHBondContact O-SG 3.49Å |
| 403 | L | 96.3 | Very high | 85.1 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 123.6 | 175.2 | -50.6 | -172.8 | 0 | 0 | 0 | 108.6 | M258 V260 K265 N374 Y375 | M258-L403 HydrophobicContact CB-CD2 4.12Å; M258-L403 WeakPolarHBondContact O-CA 3.34Å; M258-L403 HydrophobicContact SD-CD2 4.37Å; V260-L403 HydrophobicContact CG2-CD2 4.02Å; K265-L403 HydrophobicContact CB-CD1 4.14Å; K265-L403 HydrophobicContact CD-CD1 4.36Å; K265-L403 HydrophobicContact CG-CD1 4Å; N374-L403 PolarHBondContact O-N 3.43Å; Y375-L403 HydrophobicContact CD2-CD1 3.95Å; Y375-L403 HydrophobicContact CE2-CD1 4.42Å; Y375-L403 HydrophobicContact CG-CD1 4.32Å |
| 404 | C | 94.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 142.6 | -174.1 | -50.2 | 0 | 0 | 0 | 0 | 109.8 | M258 W259 V260 L377 S402 F412 F429 | M258-C404 PolarHBondContact O-N 3.46Å; W259-C404 CarbonylContact C-O 3.57Å; W259-C404 WeakPolarHBondContact CA-O 3.02Å; W259-C404 HydrophobicContact CE3-CB 4.44Å; V260-C404 PolarHBondContact N-O 3.09Å; L377-C404 HydrophobicContact CD1-CB 4.05Å; L377-C404 VanDerWaalsContact CD1-SG 3.55Å; S402-C404 PolarHBondContact O-SG 3.49Å; C404-F412 HydrophobicContact CB-CE1 4.25Å; C404-F412 HydrophobicContact CB-CZ 4.35Å; C404-F429 HydrophobicContact CB-CE2 3.98Å; C404-F429 HydrophobicContact CB-CZ 4.17Å |
| 405 | N | 92.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | trans | -147.3 | -176.6 | 169.5 | 63.6 | 24.3 | 0 | 0 | 0 | 111.3 | W259 V260 E262 K265 M407 N408 F412 | W259-N405 VanDerWaalsContact CH2-C 3.4Å; V260-N405 WeakPolarHBondContact O-CB 3.48Å; E262-N405 PolarHBondContact OE2-ND2 3.48Å; K265-N405 PolarHBondContact NZ-ND2 2.91Å; N405-M407 PolarHBondContact O-N 3.12Å; N405-M407 VanDerWaalsContact O-N 3.11Å; N405-M407 VanDerWaalsContact OD1-CB 3.3Å; N405-M407 WeakPolarHBondContact OD1-CB 3.41Å; N405-M407 PolarHBondContact OD1-N 3.21Å; N405-M407 VanDerWaalsContact OD1-N 3.1Å; N405-N408 PolarHBondContact N-OD1 2.99Å; N405-N408 PolarHBondContact O-N 3.43Å; N405-N408 PolarHBondContact OD1-OD1 3.49Å; N405-F412 VanDerWaalsContact O-CZ 3.3Å; N405-F412 WeakPolarHBondContact O-CZ 3.17Å | ||
| 406 | E | 87.7 | Confident | 88.2 | Confident | 108 Ų | 108 | 41.8 Ų | 41.8 | 51% | 0.505 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -57.6 | -24.4 | -178.1 | 62.8 | -77.5 | 175.3 | 0 | 0 | 114.1 | W259 N408 | W259-E406 HydrophobicContact CH2-CB 4.26Å; W259-E406 VanDerWaalsContact CH2-N 3.27Å; W259-E406 HydrophobicContact CZ2-CB 4.35Å; E406-N408 PolarHBondContact O-N 2.94Å |
| 407 | M | 87.2 | Confident | 88.8 | Confident | 145 Ų | 145 | 44.8 Ų | 44.8 | 71% | 0.714 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -73.9 | -16.1 | 179.3 | -56.5 | -60 | -67.2 | 0 | 0 | 112.7 | N405 G409 | N405-M407 PolarHBondContact O-N 3.12Å; N405-M407 VanDerWaalsContact O-N 3.11Å; N405-M407 VanDerWaalsContact OD1-CB 3.3Å; N405-M407 WeakPolarHBondContact OD1-CB 3.41Å; N405-M407 PolarHBondContact OD1-N 3.21Å; N405-M407 VanDerWaalsContact OD1-N 3.1Å; M407-G409 VanDerWaalsContact C-N 3.34Å; M407-G409 PolarHBondContact O-N 2.85Å |
| 408 | N | 89.7 | Confident | 88.9 | Confident | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -93.1 | 15.8 | -176.3 | -50 | 132.1 | 0 | 0 | 0 | 113.5 | L377 N405 E406 N410 I411 F412 | L377-N408 HydrophobicContact CB-CB 4.31Å; L377-N408 HydrophobicContact CD1-CB 3.77Å; N405-N408 PolarHBondContact N-OD1 2.99Å; N405-N408 PolarHBondContact O-N 3.43Å; N405-N408 PolarHBondContact OD1-OD1 3.49Å; E406-N408 PolarHBondContact O-N 2.94Å; N408-N410 PolarHBondContact O-N 3.43Å; N408-N410 VanDerWaalsContact O-N 3.09Å; N408-N410 PolarHBondContact O-OD1 2.92Å; N408-I411 HydrophobicContact CB-CG2 4.31Å; N408-I411 WeakPolarHBondContact O-CG2 3.33Å; N408-I411 PolarHBondContact O-N 3.16Å; N408-F412 HydrophobicContact CB-CD1 4.34Å; N408-F412 HydrophobicContact CB-CE1 3.56Å; N408-F412 HydrophobicContact CB-CZ 3.84Å; N408-F412 WeakPolarHBondContact O-CD1 3.3Å; N408-F412 WeakPolarHBondContact O-CE1 3.49Å |
| 409 | G | 84.3 | Confident | 88.9 | Confident | 45 Ų | 45 | 38 Ų | 38 | 46% | 0.464 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -27.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | M407 | M407-G409 VanDerWaalsContact C-N 3.34Å; M407-G409 PolarHBondContact O-N 2.85Å |
| 410 | N | 83.9 | Confident | 88.7 | Confident | 100 Ų | 100 | 43.5 Ų | 43.5 | 54% | 0.535 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -35.5 | 179.2 | 60 | -20.8 | 0 | 0 | 0 | 113.9 | S379 N408 | S379-N410 PolarHBondContact O-ND2 3.31Å; N408-N410 PolarHBondContact O-N 3.43Å; N408-N410 VanDerWaalsContact O-N 3.09Å; N408-N410 PolarHBondContact O-OD1 2.92Å |
| 411 | I | 86.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -17 | -178 | -167.2 | 172.5 | 0 | 0 | 0 | 112.8 | L377 P378 N380 I381 N408 Q413 D414 L415 | L377-I411 HydrophobicContact CD1-CG2 4.37Å; P378-I411 HydrophobicContact CG-CD1 4.09Å; P378-I411 VanDerWaalsContact O-CD1 3.28Å; P378-I411 WeakPolarHBondContact O-CD1 3.42Å; N380-I411 VanDerWaalsContact C-CD1 3.45Å; N380-I411 VanDerWaalsContact O-CD1 3.25Å; N380-I411 WeakPolarHBondContact O-CD1 3.38Å; I381-I411 HydrophobicContact CD1-CG1 4.5Å; N408-I411 HydrophobicContact CB-CG2 4.31Å; N408-I411 WeakPolarHBondContact O-CG2 3.33Å; N408-I411 PolarHBondContact O-N 3.16Å; I411-Q413 VanDerWaalsContact C-N 3.3Å; I411-Q413 PolarHBondContact O-N 3.4Å; I411-D414 PolarHBondContact O-N 2.74Å; I411-L415 HydrophobicContact CG1-CB 4.48Å; I411-L415 VanDerWaalsContact O-CB 3.3Å; I411-L415 WeakPolarHBondContact O-CB 3.4Å; I411-L415 PolarHBondContact O-N 2.92Å |
| 412 | F | 90.4 | Very high | 87.3 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.6 | -35.7 | -171.6 | -73.1 | -9.9 | 0 | 0 | 0 | 114.8 | W259 L377 C404 N405 N408 R416 L430 | W259-F412 HydrophobicContact CZ3-CE2 4.06Å; W259-F412 AromaticContact CZ3-CZ 3.97Å; W259-F412 HydrophobicContact CZ3-CZ 3.97Å; L377-F412 HydrophobicContact CD1-CE1 4.22Å; C404-F412 HydrophobicContact CB-CE1 4.25Å; C404-F412 HydrophobicContact CB-CZ 4.35Å; N405-F412 VanDerWaalsContact O-CZ 3.3Å; N405-F412 WeakPolarHBondContact O-CZ 3.17Å; N408-F412 HydrophobicContact CB-CD1 4.34Å; N408-F412 HydrophobicContact CB-CE1 3.56Å; N408-F412 HydrophobicContact CB-CZ 3.84Å; N408-F412 WeakPolarHBondContact O-CD1 3.3Å; N408-F412 WeakPolarHBondContact O-CE1 3.49Å; F412-R416 VanDerWaalsContact O-CB 3.22Å; F412-R416 WeakPolarHBondContact O-CB 3.25Å; F412-R416 PolarHBondContact O-N 2.87Å; F412-L430 HydrophobicContact CB-CD2 3.76Å; F412-L430 HydrophobicContact CD1-CD2 3.5Å; F412-L430 HydrophobicContact CD2-CD2 4.16Å; F412-L430 HydrophobicContact CE1-CD2 4.07Å; F412-L430 HydrophobicContact CG-CD2 3.55Å |
| 413 | Q | 85.8 | Confident | 86.6 | Confident | 129 Ų | 129 | 53.9 Ų | 53.9 | 60% | 0.603 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.8 | -49.5 | 177.7 | 180 | 175.6 | -1.5 | 0 | 0 | 111.3 | I411 R416 R417 | I411-Q413 VanDerWaalsContact C-N 3.3Å; I411-Q413 PolarHBondContact O-N 3.4Å; Q413-R416 PolarHBondContact O-N 3.3Å; Q413-R417 PolarHBondContact O-N 3.43Å; Q413-R417 VanDerWaalsContact O-N 3.09Å |
| 414 | D | 85.2 | Confident | 85.9 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 179.4 | -69.1 | -40.8 | 0 | 0 | 0 | 111.4 | I381 I411 R416 R417 V418 | I381-D414 HydrophobicContact CB-CB 3.71Å; I381-D414 HydrophobicContact CD1-CB 4.32Å; I381-D414 HydrophobicContact CG1-CB 3.98Å; I381-D414 HydrophobicContact CG2-CB 4.04Å; I411-D414 PolarHBondContact O-N 2.74Å; D414-R416 VanDerWaalsContact C-N 3.33Å; D414-R416 PolarHBondContact O-N 3.43Å; D414-R417 WeakPolarHBondContact O-CB 3.48Å; D414-R417 PolarHBondContact O-N 2.8Å; D414-R417 VanDerWaalsContact O-N 3.16Å; D414-R417 IonicContact OD1-CZ 3.67Å; D414-R417 IonicContact OD1-NE 3.72Å; D414-R417 IonicContact OD1-NH2 2.76Å; D414-R417 PolarHBondContact OD1-NH2 3.27Å; D414-V418 WeakPolarHBondContact O-CG2 3.41Å; D414-V418 PolarHBondContact O-N 3.49Å |
| 415 | L | 88.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 177.4 | -175.4 | 54.4 | 0 | 0 | 0 | 111.5 | L257 I381 Y384 I411 R417 V418 L419 L430 | L257-L415 HydrophobicContact CD2-CD2 3.54Å; L257-L415 HydrophobicContact CD2-CG 4.11Å; I381-L415 HydrophobicContact CD1-CB 4.28Å; I381-L415 HydrophobicContact CD1-CD1 4.2Å; Y384-L415 HydrophobicContact CD1-CD1 3.81Å; Y384-L415 HydrophobicContact CD2-CD1 4.37Å; Y384-L415 HydrophobicContact CE1-CD1 3.34Å; Y384-L415 HydrophobicContact CE2-CD1 3.97Å; Y384-L415 HydrophobicContact CG-CD1 4.29Å; Y384-L415 VanDerWaalsContact CZ-CD1 3.43Å; I411-L415 HydrophobicContact CG1-CB 4.48Å; I411-L415 VanDerWaalsContact O-CB 3.3Å; I411-L415 WeakPolarHBondContact O-CB 3.4Å; I411-L415 PolarHBondContact O-N 2.92Å; L415-R417 PolarHBondContact O-N 3.49Å; L415-V418 PolarHBondContact O-N 2.94Å; L415-L419 HydrophobicContact CD1-CD1 4.26Å; L415-L419 HydrophobicContact CD1-CG 4.28Å; L415-L419 HydrophobicContact CG-CD1 4.12Å; L415-L419 WeakPolarHBondContact O-CB 3.45Å; L415-L419 VanDerWaalsContact O-CG 3.22Å; L415-L419 WeakPolarHBondContact O-CG 3.22Å; L415-L419 PolarHBondContact O-N 3.23Å; L415-L430 HydrophobicContact CG-CD1 4.41Å |
| 416 | R | 88 | Confident | 85.1 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 19% | 0.185 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 174.9 | 179.6 | 179.5 | -174.9 | -139.8 | 3.4 | 112 | F412 Q413 D414 K420 V426 N431 | F412-R416 VanDerWaalsContact O-CB 3.22Å; F412-R416 WeakPolarHBondContact O-CB 3.25Å; F412-R416 PolarHBondContact O-N 2.87Å; Q413-R416 PolarHBondContact O-N 3.3Å; D414-R416 VanDerWaalsContact C-N 3.33Å; D414-R416 PolarHBondContact O-N 3.43Å; R416-K420 WeakPolarHBondContact O-CG 3.44Å; R416-K420 PolarHBondContact O-N 3.15Å; R416-K420 VanDerWaalsContact O-N 3.12Å; R416-V426 HydrophobicContact CG-CG1 4Å; R416-N431 VanDerWaalsContact CZ-OD1 3.31Å; R416-N431 PolarHBondContact NE-OD1 3.11Å; R416-N431 PolarHBondContact NH2-OD1 3.22Å |
| 417 | R | 85.8 | Confident | 85.2 | Confident | 133 Ų | 133 | 61.2 Ų | 61.2 | 50% | 0.502 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.8 | -52.3 | 178.1 | 172.2 | 173.6 | 55.9 | 156.2 | -2.8 | 110.5 | Q413 D414 L415 L419 K420 E421 | Q413-R417 PolarHBondContact O-N 3.43Å; Q413-R417 VanDerWaalsContact O-N 3.09Å; D414-R417 WeakPolarHBondContact O-CB 3.48Å; D414-R417 PolarHBondContact O-N 2.8Å; D414-R417 VanDerWaalsContact O-N 3.16Å; D414-R417 IonicContact OD1-CZ 3.67Å; D414-R417 IonicContact OD1-NE 3.72Å; D414-R417 IonicContact OD1-NH2 2.76Å; D414-R417 PolarHBondContact OD1-NH2 3.27Å; L415-R417 PolarHBondContact O-N 3.49Å; R417-L419 PolarHBondContact O-N 2.74Å; R417-K420 PolarHBondContact O-N 2.82Å; R417-E421 HydrophobicContact CG-CG 4.48Å; R417-E421 WeakPolarHBondContact CG-OE1 3.3Å; R417-E421 WeakPolarHBondContact O-CG 3.33Å; R417-E421 PolarHBondContact O-N 3.4Å |
| 418 | V | 82.3 | Confident | 85.2 | Confident | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.1 | -40 | -177.9 | 177.4 | 0 | 0 | 0 | 0 | 112 | I249 I381 D414 L415 K420 E421 T422 | I249-V418 HydrophobicContact CD1-CB 4.49Å; I249-V418 HydrophobicContact CD1-CG1 3.35Å; I249-V418 HydrophobicContact CG1-CG1 3.48Å; I249-V418 VanDerWaalsContact CG1-CG1 3.48Å; I381-V418 HydrophobicContact CD1-CB 4.34Å; I381-V418 HydrophobicContact CD1-CG2 4.03Å; I381-V418 HydrophobicContact CG1-CG2 3.68Å; D414-V418 WeakPolarHBondContact O-CG2 3.41Å; D414-V418 PolarHBondContact O-N 3.49Å; L415-V418 PolarHBondContact O-N 2.94Å; V418-K420 PolarHBondContact O-N 2.72Å; V418-E421 PolarHBondContact O-N 3.18Å; V418-T422 WeakPolarHBondContact O-CB 3.44Å; V418-T422 WeakPolarHBondContact O-CG2 3.43Å; V418-T422 PolarHBondContact O-N 3.34Å; V418-T422 VanDerWaalsContact O-N 3.12Å; V418-T422 PolarHBondContact O-OG1 2.95Å |
| 419 | L | 86.3 | Confident | 85 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 175.5 | -72.4 | 170.2 | 0 | 0 | 0 | 111.8 | L257 L415 R417 T422 G423 H424 V426 L430 | L257-L419 HydrophobicContact CD1-CD1 3.9Å; L257-L419 HydrophobicContact CD1-CD2 4.28Å; L257-L419 HydrophobicContact CD2-CD1 4.08Å; L415-L419 HydrophobicContact CD1-CD1 4.26Å; L415-L419 HydrophobicContact CD1-CG 4.28Å; L415-L419 HydrophobicContact CG-CD1 4.12Å; L415-L419 WeakPolarHBondContact O-CB 3.45Å; L415-L419 VanDerWaalsContact O-CG 3.22Å; L415-L419 WeakPolarHBondContact O-CG 3.22Å; L415-L419 PolarHBondContact O-N 3.23Å; R417-L419 PolarHBondContact O-N 2.74Å; L419-T422 PolarHBondContact O-N 3.09Å; L419-T422 PolarHBondContact O-OG1 3.17Å; L419-G423 PolarHBondContact O-N 3.01Å; L419-G423 VanDerWaalsContact O-N 3.13Å; L419-H424 HydrophobicContact CB-CB 4.28Å; L419-H424 HydrophobicContact CD2-CB 3.64Å; L419-H424 PolarHBondContact O-N 3.22Å; L419-V426 HydrophobicContact CB-CG2 3.94Å; L419-L430 HydrophobicContact CD1-CD1 3.79Å |
| 420 | K | 85 | Confident | 85 | Confident | 118 Ų | 118 | 59.1 Ų | 59.1 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 177.2 | -73.5 | -173.3 | 176.4 | -170.4 | 0 | 112.7 | R416 R417 V418 T422 G423 V426 | R416-K420 WeakPolarHBondContact O-CG 3.44Å; R416-K420 PolarHBondContact O-N 3.15Å; R416-K420 VanDerWaalsContact O-N 3.12Å; R417-K420 PolarHBondContact O-N 2.82Å; V418-K420 PolarHBondContact O-N 2.72Å; K420-T422 PolarHBondContact O-N 3.46Å; K420-G423 PolarHBondContact O-N 3.19Å; K420-G423 VanDerWaalsContact O-N 3.1Å; K420-V426 HydrophobicContact CG-CG2 3.72Å |
| 421 | E | 81 | Confident | 84.7 | Confident | 130 Ų | 130 | 56.5 Ų | 56.5 | 61% | 0.607 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60 | -30.1 | 179.8 | -73.7 | 171 | -178.6 | 0 | 0 | 112.1 | R417 V418 | R417-E421 HydrophobicContact CG-CG 4.48Å; R417-E421 WeakPolarHBondContact CG-OE1 3.3Å; R417-E421 WeakPolarHBondContact O-CG 3.33Å; R417-E421 PolarHBondContact O-N 3.4Å; V418-E421 PolarHBondContact O-N 3.18Å |
| 422 | T | 76.7 | Confident | 84 | Confident | 19 Ų | 19 | 60.8 Ų | 60.8 | 12% | 0.117 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 0.5 | -179.6 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | I249 V418 L419 K420 H424 | I249-T422 HydrophobicContact CB-CG2 4.07Å; V418-T422 WeakPolarHBondContact O-CB 3.44Å; V418-T422 WeakPolarHBondContact O-CG2 3.43Å; V418-T422 PolarHBondContact O-N 3.34Å; V418-T422 VanDerWaalsContact O-N 3.12Å; V418-T422 PolarHBondContact O-OG1 2.95Å; L419-T422 PolarHBondContact O-N 3.09Å; L419-T422 PolarHBondContact O-OG1 3.17Å; K420-T422 PolarHBondContact O-N 3.46Å; T422-H424 WeakPolarHBondContact CB-ND1 3.22Å; T422-H424 PolarHBondContact OG1-ND1 3.16Å |
| 423 | G | 80 | Confident | 82.7 | Confident | 69 Ų | 69 | 61.8 Ų | 61.8 | 71% | 0.711 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 20.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L419 K420 | L419-G423 PolarHBondContact O-N 3.01Å; L419-G423 VanDerWaalsContact O-N 3.13Å; K420-G423 PolarHBondContact O-N 3.19Å; K420-G423 VanDerWaalsContact O-N 3.1Å |
| 424 | H | 82.2 | Confident | 81 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 17% | 0.167 | 31% | 0.307 | C | S | . | . | trans | -83.7 | 151.1 | 175.7 | -67.5 | 85.6 | 0 | 0 | 0 | 111.4 | I253 Q255 L419 T422 V426 | I253-H424 PolarHBondContact O-NE2 2.81Å; Q255-H424 PolarHBondContact NE2-CD2 3.42Å; Q255-H424 PolarHBondContact NE2-CE1 2.89Å; Q255-H424 VanDerWaalsContact NE2-CE1 3.31Å; Q255-H424 PolarHBondContact NE2-ND1 3.09Å; Q255-H424 PolarHBondContact NE2-NE2 2.93Å; L419-H424 HydrophobicContact CB-CB 4.28Å; L419-H424 HydrophobicContact CD2-CB 3.64Å; L419-H424 PolarHBondContact O-N 3.22Å; T422-H424 WeakPolarHBondContact CB-ND1 3.22Å; T422-H424 PolarHBondContact OG1-ND1 3.16Å; H424-V426 PolarHBondContact O-N 3.48Å | ||
| 425 | E | 83.9 | Confident | 79.3 | Confident | 178 Ų | 178 | 66.3 Ų | 66.3 | 83% | 0.832 | 33% | 0.325 | S | S | * | . | trans | -60.2 | 132.9 | 172.4 | -170.6 | 179.5 | 174.6 | 0 | 0 | 110.4 | P427 | E425-P427 WeakPolarHBondContact O-CD 3.3Š| ||
| 426 | V | 87.5 | Confident | 77.5 | Confident | 26 Ų | 26 | 74.4 Ų | 74.4 | 16% | 0.158 | 36% | 0.36 | C | S | . | . | trans | -103.8 | 110.4 | 178.4 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | R416 L419 K420 H424 L430 | R416-V426 HydrophobicContact CG-CG1 4Å; L419-V426 HydrophobicContact CB-CG2 3.94Å; K420-V426 HydrophobicContact CG-CG2 3.72Å; H424-V426 PolarHBondContact O-N 3.48Å; V426-L430 HydrophobicContact CG1-CB 3.99Å; V426-L430 HydrophobicContact CG1-CD1 4.21Å | ||
| 427 | P | 88.4 | Confident | 75.7 | Confident | 25 Ų | 25 | 76.8 Ų | 76.8 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | trans | -57.5 | 146.3 | 176.6 | -19.8 | 24.8 | 0 | 0 | 0 | 112.9 | L257 E425 F429 L430 | L257-P427 HydrophobicContact CB-CG 3.89Å; L257-P427 HydrophobicContact CD1-CG 4.39Å; E425-P427 WeakPolarHBondContact O-CD 3.3Å; P427-F429 HydrophobicContact CB-CD1 3.62Å; P427-F429 HydrophobicContact CB-CE1 3.27Å; P427-F429 HydrophobicContact CB-CE2 4.46Å; P427-F429 HydrophobicContact CB-CG 4.35Å; P427-F429 HydrophobicContact CB-CZ 3.75Å; P427-F429 HydrophobicContact CG-CE1 3.85Å; P427-F429 HydrophobicContact CG-CZ 3.92Å; P427-F429 PolarHBondContact O-N 2.94Å; P427-F429 VanDerWaalsContact O-N 3.16Å; P427-L430 WeakPolarHBondContact O-CB 3.49Å; P427-L430 PolarHBondContact O-N 3.2Å | ||
| 428 | D | 87.2 | Confident | 73.9 | Confident | 120 Ų | 120 | 73.9 Ų | 73.9 | 64% | 0.642 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.2 | -31.8 | -176.3 | -72.7 | -30.4 | 0 | 0 | 0 | 114.2 | L430 N431 N432 | D428-L430 PolarHBondContact O-N 3.05Å; D428-N431 CarbonylContact O-C 3.6Å; D428-N431 WeakPolarHBondContact O-CA 3.43Å; D428-N431 WeakPolarHBondContact O-CB 3.33Å; D428-N431 PolarHBondContact O-N 3.1Å; D428-N432 PolarHBondContact O-N 3.38Å |
| 429 | F | 86 | Confident | 72.1 | Confident | 40 Ų | 40 | 79.1 Ų | 79.1 | 18% | 0.175 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.4 | -28.4 | 178.1 | 64.2 | -102.5 | 0 | 0 | 0 | 112.6 | L257 W259 C404 P427 N431 S433 | L257-F429 HydrophobicContact CB-CZ 3.89Å; W259-F429 HydrophobicContact CB-CD1 4.28Å; W259-F429 HydrophobicContact CB-CE1 4.32Å; W259-F429 HydrophobicContact CE3-CB 4.14Å; W259-F429 HydrophobicContact CE3-CD1 4.42Å; W259-F429 AromaticContact CE3-CD2 3.72Å; W259-F429 HydrophobicContact CE3-CD2 3.72Å; W259-F429 HydrophobicContact CE3-CE2 4.19Å; W259-F429 AromaticContact CE3-CG 3.86Å; W259-F429 HydrophobicContact CE3-CG 3.86Å; W259-F429 HydrophobicContact CZ3-CD2 4.07Å; W259-F429 HydrophobicContact CZ3-CG 4.46Å; C404-F429 HydrophobicContact CB-CE2 3.98Å; C404-F429 HydrophobicContact CB-CZ 4.17Å; P427-F429 HydrophobicContact CB-CD1 3.62Å; P427-F429 HydrophobicContact CB-CE1 3.27Å; P427-F429 HydrophobicContact CB-CE2 4.46Å; P427-F429 HydrophobicContact CB-CG 4.35Å; P427-F429 HydrophobicContact CB-CZ 3.75Å; P427-F429 HydrophobicContact CG-CE1 3.85Å; P427-F429 HydrophobicContact CG-CZ 3.92Å; P427-F429 PolarHBondContact O-N 2.94Å; P427-F429 VanDerWaalsContact O-N 3.16Å; F429-N431 VanDerWaalsContact C-N 3.35Å; F429-S433 WeakPolarHBondContact O-CB 3.38Å; F429-S433 PolarHBondContact O-N 2.93Å; F429-S433 PolarHBondContact O-OG 3.3Å |
| 430 | L | 84.8 | Confident | 69.7 | Low | 2 Ų | 2 | 88.5 Ų | 88.5 | 1% | 0.01 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -71.6 | -30.5 | 171.7 | -67 | -177.3 | 0 | 0 | 0 | 112 | L257 F412 L415 L419 V426 P427 D428 | L257-L430 HydrophobicContact CD2-CD1 3.95Å; F412-L430 HydrophobicContact CB-CD2 3.76Å; F412-L430 HydrophobicContact CD1-CD2 3.5Å; F412-L430 HydrophobicContact CD2-CD2 4.16Å; F412-L430 HydrophobicContact CE1-CD2 4.07Å; F412-L430 HydrophobicContact CG-CD2 3.55Å; L415-L430 HydrophobicContact CG-CD1 4.41Å; L419-L430 HydrophobicContact CD1-CD1 3.79Å; V426-L430 HydrophobicContact CG1-CB 3.99Å; V426-L430 HydrophobicContact CG1-CD1 4.21Å; P427-L430 WeakPolarHBondContact O-CB 3.49Å; P427-L430 PolarHBondContact O-N 3.2Å; D428-L430 PolarHBondContact O-N 3.05Å |
| 431 | N | 77.6 | Confident | 67.3 | Low | 46 Ų | 46 | 88.2 Ų | 88.2 | 25% | 0.246 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -73.7 | -39.4 | 174.3 | -68.3 | -43.6 | 0 | 0 | 0 | 111.8 | R416 D428 F429 Y434 | R416-N431 VanDerWaalsContact CZ-OD1 3.31Å; R416-N431 PolarHBondContact NE-OD1 3.11Å; R416-N431 PolarHBondContact NH2-OD1 3.22Å; D428-N431 CarbonylContact O-C 3.6Å; D428-N431 WeakPolarHBondContact O-CA 3.43Å; D428-N431 WeakPolarHBondContact O-CB 3.33Å; D428-N431 PolarHBondContact O-N 3.1Å; F429-N431 VanDerWaalsContact C-N 3.35Å; N431-Y434 WeakPolarHBondContact O-CB 3.26Å |
| 432 | N | 71.4 | Confident | 65.4 | Low | 89 Ų | 89 | 91.7 Ų | 91.7 | 48% | 0.476 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -75 | -35.6 | -178.6 | -70.7 | -25 | 0 | 0 | 0 | 113 | D428 Y434 R435 K436 | D428-N432 PolarHBondContact O-N 3.38Å; N432-Y434 VanDerWaalsContact C-N 3.26Å; N432-Y434 PolarHBondContact O-N 2.94Å; N432-R435 PolarHBondContact O-N 2.89Å; N432-K436 PolarHBondContact O-N 3.12Å |
| 433 | S | 62.9 | Low | 63.6 | Low | 33 Ų | 33 | 102.2 Ų | 102.2 | 23% | 0.231 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -64.4 | -34 | 176.1 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | F429 K436 V437 | F429-S433 WeakPolarHBondContact O-CB 3.38Å; F429-S433 PolarHBondContact O-N 2.93Å; F429-S433 PolarHBondContact O-OG 3.3Å; S433-K436 PolarHBondContact O-N 2.73Å; S433-V437 PolarHBondContact O-N 3.02Å |
| 434 | Y | 50.8 | Low | 61.5 | Low | 105 Ų | 105 | 110.3 Ų | 110.3 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 174 | -177.2 | -101 | 0 | 0 | 0 | 111.9 | N431 N432 K436 V437 T438 | N431-Y434 WeakPolarHBondContact O-CB 3.26Å; N432-Y434 VanDerWaalsContact C-N 3.26Å; N432-Y434 PolarHBondContact O-N 2.94Å; Y434-K436 VanDerWaalsContact C-N 3.34Å; Y434-K436 PolarHBondContact O-N 2.97Å; Y434-V437 PolarHBondContact O-N 2.94Å; Y434-V437 VanDerWaalsContact O-N 3.08Å; Y434-T438 HydrophobicContact CD1-CG2 4.18Å; Y434-T438 HydrophobicContact CD2-CG2 4.5Å; Y434-T438 HydrophobicContact CE1-CG2 3.71Å; Y434-T438 HydrophobicContact CE2-CG2 4.05Å; Y434-T438 PolarHBondContact O-N 3.41Å; Y434-T438 PolarHBondContact O-OG1 3.02Å |
| 435 | R | 49.8 | Very low | 59.4 | Low | 165 Ų | 165 | 112.9 Ų | 112.9 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -58.6 | -44.1 | 177.4 | -73.8 | -175 | 174.4 | 167.2 | -1.5 | 111.7 | N432 V437 T438 D439 | N432-R435 PolarHBondContact O-N 2.89Å; R435-V437 PolarHBondContact O-N 3.26Å; R435-T438 PolarHBondContact O-N 3.25Å; R435-T438 PolarHBondContact O-OG1 3.27Å; R435-D439 WeakPolarHBondContact O-CB 3.16Å; R435-D439 PolarHBondContact O-N 3.24Å |
| 436 | K | 50.2 | Low | 57 | Low | 169 Ų | 169 | 111 Ų | 111 | 74% | 0.735 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -25.4 | 177.6 | -74 | -173.1 | 178.7 | 179 | 0 | 114 | N432 S433 Y434 R440 | N432-K436 PolarHBondContact O-N 3.12Å; S433-K436 PolarHBondContact O-N 2.73Å; Y434-K436 VanDerWaalsContact C-N 3.34Å; Y434-K436 PolarHBondContact O-N 2.97Å; K436-R440 WeakPolarHBondContact O-CG 3.18Å |
| 437 | V | 49.4 | Very low | 54.4 | Low | 99 Ų | 99 | 119.1 Ų | 119.1 | 60% | 0.6 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -83 | -40.8 | 176.4 | 176.8 | 0 | 0 | 0 | 0 | 111 | S433 Y434 R435 | S433-V437 PolarHBondContact O-N 3.02Å; Y434-V437 PolarHBondContact O-N 2.94Å; Y434-V437 VanDerWaalsContact O-N 3.08Å; R435-V437 PolarHBondContact O-N 3.26Å |
| 438 | T | 48 | Very low | 51.6 | Low | 73 Ų | 73 | 126.5 Ų | 126.5 | 45% | 0.448 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -76.4 | -31.2 | 178.9 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | Y434 R435 R440 | Y434-T438 HydrophobicContact CD1-CG2 4.18Å; Y434-T438 HydrophobicContact CD2-CG2 4.5Å; Y434-T438 HydrophobicContact CE1-CG2 3.71Å; Y434-T438 HydrophobicContact CE2-CG2 4.05Å; Y434-T438 PolarHBondContact O-N 3.41Å; Y434-T438 PolarHBondContact O-OG1 3.02Å; R435-T438 PolarHBondContact O-N 3.25Å; R435-T438 PolarHBondContact O-OG1 3.27Å; T438-R440 VanDerWaalsContact C-N 3.27Å; T438-R440 PolarHBondContact O-N 3.2Å |
| 439 | D | 45.6 | Very low | 48.9 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 64% | 0.642 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 1.2 | 178.8 | -70.7 | -22.9 | 0 | 0 | 0 | 113 | R435 P441 | R435-D439 WeakPolarHBondContact O-CB 3.16Å; R435-D439 PolarHBondContact O-N 3.24Å; D439-P441 WeakPolarHBondContact O-CD 3.49Å |
| 440 | R | 35.4 | Very low | 46.1 | Very low | 196 Ų | 196 | 133.8 Ų | 133.8 | 74% | 0.74 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -60.2 | 113.2 | 163.8 | -75.5 | -172.6 | -179.4 | -169.7 | -0 | 106.2 | K436 T438 K442 | K436-R440 WeakPolarHBondContact O-CG 3.18Å; T438-R440 VanDerWaalsContact C-N 3.27Å; T438-R440 PolarHBondContact O-N 3.2Å; R440-K442 PolarHBondContact O-N 3.08Å |
| 441 | P | 35.1 | Very low | 43.5 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | trans | -56.9 | 125.4 | -179.3 | -2.5 | 9.5 | 0 | 0 | 0 | 105.7 | D439 R443 | D439-P441 WeakPolarHBondContact O-CD 3.49Å; P441-R443 VanDerWaalsContact C-N 3.3Å; P441-R443 PolarHBondContact O-N 3.32Å | ||
| 442 | K | 41.3 | Very low | 41.3 | Very low | 203 Ų | 203 | 142.9 Ų | 142.9 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | trans | -44.7 | 105.8 | 169.7 | -74.9 | -178.5 | 178.4 | 177.8 | 0 | 105.3 | R440 R444 | R440-K442 PolarHBondContact O-N 3.08Å; K442-R444 PolarHBondContact O-N 3.39Å | ||
| 443 | R | 37.6 | Very low | 39.5 | Very low | 240 Ų | 240 | 148.9 Ų | 148.9 | 91% | 0.906 | 69% | 0.692 | S | S | * | * | trans | -47.1 | 114.4 | 178.6 | -104.5 | -179.5 | 156.7 | 169.3 | -5.9 | 103.8 | P441 A445 | P441-R443 VanDerWaalsContact C-N 3.3Å; P441-R443 PolarHBondContact O-N 3.32Å; R443-A445 VanDerWaalsContact C-N 3.27Å; R443-A445 PolarHBondContact O-N 3.34Å | ||
| 444 | R | 35.5 | Very low | 38 | Very low | 238 Ų | 238 | 155.4 Ų | 155.4 | 90% | 0.898 | 72% | 0.718 | S | S | * | * | trans | -48 | 104.9 | 178.8 | -84.4 | 178.2 | 167.5 | 166.6 | -4 | 104.4 | K442 N446 | K442-R444 PolarHBondContact O-N 3.39Å; R444-N446 VanDerWaalsContact C-N 3.26Å; R444-N446 PolarHBondContact O-N 3.11Å | ||
| 445 | A | 38.8 | Very low | 37.1 | Very low | 90 Ų | 90 | 160.2 Ų | 160.2 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | trans | -58.6 | 106.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 102.6 | R443 K447 | R443-A445 VanDerWaalsContact C-N 3.27Å; R443-A445 PolarHBondContact O-N 3.34Å; A445-K447 PolarHBondContact O-N 3.39Å | ||
| 446 | N | 33.5 | Very low | 36.2 | Very low | 139 Ų | 139 | 161.9 Ų | 161.9 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | -50 | 113.6 | 170.2 | -93.5 | -11.4 | 0 | 0 | 0 | 104.1 | R444 F448 | R444-N446 VanDerWaalsContact C-N 3.26Å; R444-N446 PolarHBondContact O-N 3.11Å; N446-F448 PolarHBondContact O-N 2.8Å | ||
| 447 | K | 33 | Very low | 35.3 | Very low | 196 Ų | 196 | 165.3 Ų | 165.3 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | trans | -63.2 | 74.3 | 168.4 | -83.6 | -179.6 | 171.6 | 179.1 | 0 | 106.1 | A445 T449 | A445-K447 PolarHBondContact O-N 3.39Å; K447-T449 PolarHBondContact O-N 3.27Å | ||
| 448 | F | 29.5 | Very low | 34.4 | Very low | 181 Ų | 181 | 165.5 Ų | 165.5 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -71.3 | 91.9 | 155.1 | -116.6 | -90.8 | 0 | 0 | 0 | 103.9 | N446 W450 | N446-F448 PolarHBondContact O-N 2.8Å; F448-W450 PolarHBondContact O-N 3.04Å | ||
| 449 | T | 31.1 | Very low | 33.6 | Very low | 115 Ų | 115 | 166.4 Ų | 166.4 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -64.3 | 88.9 | 167.1 | 47.5 | 0 | 0 | 0 | 0 | 106.5 | K447 N451 | K447-T449 PolarHBondContact O-N 3.27Å; T449-N451 PolarHBondContact O-N 3.22Å; T449-N451 VanDerWaalsContact O-N 3.12Å | ||
| 450 | W | 26.3 | Very low | 32.8 | Very low | 197 Ų | 197 | 168.2 Ų | 168.2 | 75% | 0.746 | 79% | 0.792 | S | S | * | * | trans | -73.8 | 101 | 170.1 | -157 | 69.2 | 0 | 0 | 0 | 106.8 | F448 D452 | F448-W450 PolarHBondContact O-N 3.04Å; W450-D452 VanDerWaalsContact C-N 3.3Å; W450-D452 HydrophobicContact CD2-CB 4.35Å; W450-D452 HydrophobicContact CE3-CB 3.51Å; W450-D452 HydrophobicContact CH2-CB 3.94Å; W450-D452 WeakPolarHBondContact CH2-OD2 2.8Å; W450-D452 HydrophobicContact CZ3-CB 3.28Å; W450-D452 WeakPolarHBondContact CZ3-OD2 2.98Å; W450-D452 PolarHBondContact O-N 3.45Å | ||
| 451 | N | 31.3 | Very low | 32.5 | Very low | 144 Ų | 144 | 164 Ų | 164 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -71.2 | 84.9 | 173.8 | -99.2 | -15.1 | 0 | 0 | 0 | 108.6 | T449 | T449-N451 PolarHBondContact O-N 3.22Å; T449-N451 VanDerWaalsContact O-N 3.12Å | ||
| 452 | D | 32 | Very low | 32.2 | Very low | 95 Ų | 95 | 167.6 Ų | 167.6 | 51% | 0.508 | 80% | 0.797 | S | S | . | * | trans | -113.9 | 95.6 | 161.8 | -104.2 | 26.5 | 0 | 0 | 0 | 109.5 | W450 | W450-D452 VanDerWaalsContact C-N 3.3Å; W450-D452 HydrophobicContact CD2-CB 4.35Å; W450-D452 HydrophobicContact CE3-CB 3.51Å; W450-D452 HydrophobicContact CH2-CB 3.94Å; W450-D452 WeakPolarHBondContact CH2-OD2 2.8Å; W450-D452 HydrophobicContact CZ3-CB 3.28Å; W450-D452 WeakPolarHBondContact CZ3-OD2 2.98Å; W450-D452 PolarHBondContact O-N 3.45Å | ||
| 453 | R | 32.7 | Very low | 31.4 | Very low | 215 Ų | 215 | 164.1 Ų | 164.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -57.8 | 139.3 | 145.6 | -57.3 | 178.5 | -151.2 | 176.3 | 7 | 105.8 | ||||
| 454 | H | 32.4 | Very low | 30.9 | Very low | 170 Ų | 170 | 160.3 Ų | 160.3 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | trans | 95 | 61.6 | -179.7 | -52.9 | -76 | 0 | 0 | 0 | 117 | ||||
| 455 | F | 30.2 | Very low | 30.7 | Very low | 207 Ų | 207 | 155.5 Ų | 155.5 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | trans | -135.2 | 93.5 | 134.5 | -108.7 | -88 | 0 | 0 | 0 | 108.9 | R457 | F455-R457 PolarHBondContact O-N 2.84Š| ||
| 456 | K | 32.5 | Very low | 30.2 | Very low | 200 Ų | 200 | 155.7 Ų | 155.7 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | trans | -56.5 | 123.5 | 168.2 | -85.1 | 178.8 | 172.6 | 178.9 | 0 | 107.6 | A458 | K456-A458 PolarHBondContact O-N 2.72Å; K456-A458 VanDerWaalsContact O-N 3.11Å | ||
| 457 | R | 29.6 | Very low | 30.1 | Very low | 241 Ų | 241 | 155.8 Ų | 155.8 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -50.4 | 112.8 | 167.5 | -77.6 | 174.5 | 166.3 | 164.9 | -5.5 | 109.3 | F455 | F455-R457 PolarHBondContact O-N 2.84Š| ||
| 458 | A | 31.2 | Very low | 30 | Very low | 102 Ų | 102 | 153.8 Ų | 153.8 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -117.7 | 80.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | K456 | K456-A458 PolarHBondContact O-N 2.72Å; K456-A458 VanDerWaalsContact O-N 3.11Å | ||
| 459 | S | 30.5 | Very low | 30.4 | Very low | 93 Ų | 93 | 154.5 Ų | 154.5 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | trans | -136.7 | 55.8 | 167.5 | 70.1 | 0 | 0 | 0 | 0 | 108.6 | S461 | S459-S461 PolarHBondContact O-N 2.72Š| ||
| 460 | D | 29.6 | Very low | 30.7 | Very low | 157 Ų | 157 | 156.7 Ų | 156.7 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -82.9 | 77 | 157.4 | -72.6 | -19.4 | 0 | 0 | 0 | 106.9 | ||||
| 461 | S | 28.9 | Very low | 31 | Very low | 107 Ų | 107 | 154.7 Ų | 154.7 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | -109.5 | 93.7 | 166.8 | 63.9 | 0 | 0 | 0 | 0 | 108.7 | S459 | S459-S461 PolarHBondContact O-N 2.72Š| ||
| 462 | F | 28 | Very low | 31 | Very low | 189 Ų | 189 | 155.2 Ų | 155.2 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | trans | -23.2 | 123.1 | 169.1 | -80.8 | -105.3 | 0 | 0 | 0 | 115.4 | I464 | F462-I464 PolarHBondContact O-N 3.04Š| ||
| 463 | T | 25.1 | Very low | 30.9 | Very low | 131 Ų | 131 | 158.6 Ų | 158.6 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | -74 | 106.8 | 160.8 | -23.3 | 0 | 0 | 0 | 0 | 107.5 | N465 | T463-N465 PolarHBondContact O-N 2.86Š| ||
| 464 | I | 27.3 | Very low | 30.8 | Very low | 160 Ų | 160 | 155.2 Ų | 155.2 | 82% | 0.821 | 84% | 0.838 | S | S | * | * | trans | -73 | 107.4 | 171.4 | -66.3 | 175.6 | 0 | 0 | 0 | 107 | F462 A466 | F462-I464 PolarHBondContact O-N 3.04Å; I464-A466 PolarHBondContact O-N 2.68Å | ||
| 465 | N | 30.3 | Very low | 30.7 | Very low | 137 Ų | 137 | 154.3 Ų | 154.3 | 73% | 0.733 | 84% | 0.841 | S | S | * | * | trans | -57.4 | 126.1 | 172.1 | -78.5 | -38.4 | 0 | 0 | 0 | 109.6 | T463 I467 | T463-N465 PolarHBondContact O-N 2.86Å; N465-I467 PolarHBondContact O-N 3.05Å | ||
| 466 | A | 29.7 | Very low | 30.7 | Very low | 93 Ų | 93 | 150.8 Ų | 150.8 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | trans | -56.6 | 109.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109 | I464 N468 | I464-A466 PolarHBondContact O-N 2.68Å; A466-N468 PolarHBondContact O-N 2.88Å | ||
| 467 | I | 31.1 | Very low | 30.6 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 73% | 0.728 | 83% | 0.834 | S | S | * | * | trans | -72.9 | 108.7 | 168.4 | -67.4 | 168.2 | 0 | 0 | 0 | 106.1 | N465 F469 | N465-I467 PolarHBondContact O-N 3.05Å; I467-F469 HydrophobicContact CG2-CE2 4.43Å; I467-F469 PolarHBondContact O-N 3.12Å | ||
| 468 | N | 30.6 | Very low | 30.7 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 83% | 0.829 | S | S | * | * | trans | -60.4 | 109.6 | 166.6 | -82.6 | -30.9 | 0 | 0 | 0 | 108.7 | A466 A470 | A466-N468 PolarHBondContact O-N 2.88Å; N468-A470 PolarHBondContact O-N 2.82Å | ||
| 469 | F | 39.2 | Very low | 30.6 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 86% | 0.855 | 83% | 0.828 | S | S | * | * | trans | -80.7 | 96.6 | 155.6 | -79 | -84.5 | 0 | 0 | 0 | 107.4 | I467 | I467-F469 HydrophobicContact CG2-CE2 4.43Å; I467-F469 PolarHBondContact O-N 3.12Å | ||
| 470 | A | 37.3 | Very low | 30.7 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 100% | 1.331 | 84% | 0.844 | S | S | * | * | trans | -80.8 | 0 | 134.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | N468 | N468-A470 PolarHBondContact O-N 2.82Š|
Retrieved 470 of 470 residues in 204.2 ms
(Link to these results)