| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 67.3 | Low | 77.2 | Confident | 141 Ų | 141 | 66 Ų | 66 | 70% | 0.695 | 36% | 0.363 | S | S | * | . | 0 | -76.1 | 0 | -81.5 | -159.5 | -179.9 | 0 | 0 | 110 | G3 D4 V23 V26 L31 | M1-G3 PolarHBondContact O-N 2.66Å; M1-D4 VanDerWaalsContact CA-CG 3.43Å; M1-D4 WeakPolarHBondContact CA-OD2 3.45Å; M1-D4 PolarHBondContact N-OD1 3.34Å; M1-D4 VanDerWaalsContact N-OD1 3.14Å; M1-D4 PolarHBondContact N-OD2 3.27Å; M1-D4 VanDerWaalsContact O-CB 3.23Å; M1-D4 WeakPolarHBondContact O-CB 3.31Å; M1-D4 VanDerWaalsContact O-CG 3.24Å; M1-D4 PolarHBondContact O-N 2.95Å; M1-V23 VanDerWaalsContact O-CB 3.26Å; M1-V23 WeakPolarHBondContact O-CB 3.29Å; M1-V26 HydrophobicContact CB-CG2 4.29Å; M1-L31 HydrophobicContact SD-CD2 4.01Å | |||
| 2 | I | 79.8 | Confident | 75.3 | Confident | 105 Ų | 105 | 64.5 Ų | 64.5 | 54% | 0.538 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 126.8 | 171.4 | -62.1 | 179 | 0 | 0 | 0 | 109.3 | L24 V26 | I2-L24 WeakPolarHBondContact CG2-O 3.2Å; I2-V26 HydrophobicContact CD1-CG2 4.49Å; I2-V26 HydrophobicContact CG1-CB 4.49Å; I2-V26 HydrophobicContact CG1-CG2 3.79Å |
| 3 | G | 80.3 | Confident | 73.3 | Confident | 28 Ų | 28 | 70.2 Ų | 70.2 | 29% | 0.289 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -18.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | M1 V23 | M1-G3 PolarHBondContact O-N 2.66Å; G3-V23 PolarHBondContact N-O 2.94Å |
| 4 | D | 81.5 | Confident | 71.6 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 34% | 0.337 | 42% | 0.42 | S | S | . | . | trans | -69.3 | 157.5 | 178.8 | -55.9 | -2.9 | 0 | 0 | 0 | 111.2 | M1 R22 V23 | M1-D4 VanDerWaalsContact CA-CG 3.43Å; M1-D4 WeakPolarHBondContact CA-OD2 3.45Å; M1-D4 PolarHBondContact N-OD1 3.34Å; M1-D4 VanDerWaalsContact N-OD1 3.14Å; M1-D4 PolarHBondContact N-OD2 3.27Å; M1-D4 VanDerWaalsContact O-CB 3.23Å; M1-D4 WeakPolarHBondContact O-CB 3.31Å; M1-D4 VanDerWaalsContact O-CG 3.24Å; M1-D4 PolarHBondContact O-N 2.95Å; D4-R22 WeakPolarHBondContact O-CA 3.47Å; D4-V23 PolarHBondContact O-N 2.83Å | ||
| 5 | Y | 86.3 | Confident | 70.2 | Confident | 70 Ų | 70 | 70.3 Ų | 70.3 | 28% | 0.275 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 139.5 | 171.1 | -68.9 | -95.1 | 0 | 0 | 0 | 110.6 | A21 R22 M52 V57 | Y5-A21 CarbonylContact C-O 3.57Å; Y5-A21 VanDerWaalsContact CA-O 3.28Å; Y5-A21 WeakPolarHBondContact CA-O 3.37Å; Y5-R22 HydrophobicContact CD1-CB 3.96Å; Y5-R22 HydrophobicContact CD1-CG 4.32Å; Y5-R22 HydrophobicContact CE1-CB 3.78Å; Y5-R22 HydrophobicContact CE1-CG 4.02Å; Y5-R22 HydrophobicContact CE2-CG 4.35Å; Y5-M52 WeakPolarHBondContact O-CB 3.34Å; Y5-M52 PolarHBondContact O-N 3.33Å; Y5-V57 HydrophobicContact CD1-CG1 4.41Å; Y5-V57 HydrophobicContact CD2-CB 4.43Å; Y5-V57 HydrophobicContact CD2-CG1 3.49Å; Y5-V57 VanDerWaalsContact CD2-CG1 3.49Å; Y5-V57 HydrophobicContact CD2-CG2 4.01Å; Y5-V57 HydrophobicContact CE1-CG1 4.48Å; Y5-V57 HydrophobicContact CE2-CG1 3.57Å; Y5-V57 HydrophobicContact CG-CG1 3.93Å; Y5-V57 HydrophobicContact CG-CG2 3.99Å |
| 6 | V | 86.9 | Confident | 69.2 | Low | 10 Ų | 10 | 66.9 Ų | 66.9 | 6% | 0.061 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 157.7 | -176 | -64.7 | 0 | 0 | 0 | 0 | 111.3 | I8 A21 V23 S50 | V6-I8 HydrophobicContact CG2-CG1 4.49Å; V6-A21 HydrophobicContact CG2-CB 4.35Å; V6-A21 PolarHBondContact N-O 3.26Å; V6-A21 PolarHBondContact O-N 2.59Å; V6-V23 HydrophobicContact CG1-CG2 4.38Å; V6-V23 HydrophobicContact CG2-CG2 4.37Å; V6-S50 CarbonylContact C-O 3.58Å; V6-S50 VanDerWaalsContact CA-O 3.29Å; V6-S50 WeakPolarHBondContact CA-O 3.46Å |
| 7 | W | 86.3 | Confident | 68.6 | Low | 8 Ų | 8 | 65.3 Ų | 65.3 | 3% | 0.03 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.8 | 167.9 | -63.6 | 113.8 | 0 | 0 | 0 | 110.1 | L49 S50 M52 D68 H70 A72 A73 R76 | W7-L49 VanDerWaalsContact O-CD2 3.3Å; W7-L49 WeakPolarHBondContact O-CD2 3.46Å; W7-S50 PolarHBondContact N-O 2.94Å; W7-M52 HydrophobicContact CD2-CE 3.89Å; W7-M52 HydrophobicContact CE3-CE 3.96Å; W7-M52 HydrophobicContact CH2-CE 3.88Å; W7-M52 HydrophobicContact CH2-SD 4.44Å; W7-M52 HydrophobicContact CZ2-CE 3.83Å; W7-M52 HydrophobicContact CZ2-CG 3.91Å; W7-M52 HydrophobicContact CZ2-SD 4.1Å; W7-M52 HydrophobicContact CZ3-CE 3.95Å; W7-D68 PolarHBondContact NE1-OD2 2.86Å; W7-H70 AromaticContact CD1-NE2 3.8Å; W7-H70 AromaticContact CD2-CE1 3.62Å; W7-H70 AromaticContact CD2-NE2 3.96Å; W7-H70 AromaticContact CE2-CE1 3.48Å; W7-H70 VanDerWaalsContact CE2-CE1 3.48Å; W7-H70 AromaticContact CE2-NE2 3.55Å; W7-H70 AromaticContact CE3-CE1 3.97Å; W7-H70 AromaticContact CZ2-CE1 3.75Å; W7-H70 AromaticContact NE1-CE1 3.85Å; W7-H70 AromaticContact NE1-NE2 3.44Å; W7-H70 PolarHBondContact NE1-NE2 3.41Å; W7-A72 HydrophobicContact CE3-CB 4.07Å; W7-A72 HydrophobicContact CH2-CB 4.3Å; W7-A72 HydrophobicContact CZ3-CB 3.67Å; W7-A73 HydrophobicContact CH2-CB 4.13Å; W7-A73 HydrophobicContact CZ2-CB 3.77Å; W7-R76 HydrophobicContact CH2-CB 3.88Å; W7-R76 HydrophobicContact CH2-CG 4.33Å; W7-R76 HydrophobicContact CZ3-CB 4.41Å |
| 8 | I | 84.4 | Confident | 68.7 | Low | 20 Ų | 20 | 63 Ų | 63 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122.8 | 174.3 | -48.7 | 173.9 | 0 | 0 | 0 | 109 | V6 A18 I19 A21 V33 L43 V47 L49 | V6-I8 HydrophobicContact CG2-CG1 4.49Å; I8-A18 CarbonylContact O-C 3.53Å; I8-A18 WeakPolarHBondContact O-CA 3.31Å; I8-A18 VanDerWaalsContact O-CB 3.25Å; I8-A18 WeakPolarHBondContact O-CB 3.41Å; I8-I19 HydrophobicContact CB-CG2 3.97Å; I8-I19 HydrophobicContact CD1-CG2 4.45Å; I8-I19 PolarHBondContact N-O 2.81Å; I8-I19 PolarHBondContact O-N 3.38Å; I8-A21 HydrophobicContact CD1-CB 3.38Å; I8-A21 HydrophobicContact CG1-CB 3.86Å; I8-V33 HydrophobicContact CD1-CG2 3.7Å; I8-L43 HydrophobicContact CD1-CD1 3.99Å; I8-L43 HydrophobicContact CD1-CD2 4.45Å; I8-L43 HydrophobicContact CG1-CD1 4.06Å; I8-L43 HydrophobicContact CG2-CD1 4.36Å; I8-L43 HydrophobicContact CG2-CD2 4.26Å; I8-V47 HydrophobicContact CG2-CG1 4.46Å; I8-L49 HydrophobicContact CB-CD2 4.19Å; I8-L49 HydrophobicContact CG1-CD2 3.95Å; I8-L49 HydrophobicContact CG2-CD2 4.32Å |
| 9 | P | 73.3 | Confident | 69.4 | Low | 62 Ų | 62 | 61.6 Ų | 61.6 | 40% | 0.403 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 136.4 | 174.1 | 27.8 | -33.8 | 0 | 0 | 0 | 111.3 | V47 C48 | P9-V47 HydrophobicContact CG-CG1 4.11Å; P9-C48 WeakPolarHBondContact CD-O 3.3Å |
| 10 | S | 65.9 | Low | 70.1 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 37% | 0.371 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -96.5 | 135.6 | 173.6 | -178.3 | 0 | 0 | 0 | 0 | 111 | S12 S15 | S10-S12 PolarHBondContact OG-N 3.14Å; S10-S15 WeakPolarHBondContact CB-OG 3.21Å; S10-S15 PolarHBondContact OG-OG 3.11Å |
| 11 | N | 57.8 | Low | 70.9 | Confident | 166 Ų | 166 | 55.8 Ų | 55.8 | 89% | 0.888 | 34% | 0.34 | S | S | * | . | trans | -89.6 | 1.6 | 174.9 | -71.3 | -16.1 | 0 | 0 | 0 | 113.5 | ||||
| 12 | S | 53.9 | Low | 72 | Confident | 48 Ų | 48 | 54.6 Ų | 54.6 | 34% | 0.336 | 33% | 0.328 | S | S | . | . | trans | -93.4 | 125.6 | 178.9 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | S10 S14 S15 | S10-S12 PolarHBondContact OG-N 3.14Å; S12-S14 PolarHBondContact O-N 2.64Å; S12-S14 PolarHBondContact OG-N 2.84Å; S12-S14 PolarHBondContact OG-OG 3.11Å; S12-S15 PolarHBondContact O-N 2.79Å; S12-S15 PolarHBondContact O-OG 2.74Å; S12-S15 VanDerWaalsContact O-OG 3.08Å | ||
| 13 | P | 49.9 | Very low | 72.4 | Confident | 138 Ų | 138 | 49.7 Ų | 49.7 | 90% | 0.896 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 4.4 | 175.3 | 32.3 | -36.8 | 0 | 0 | 0 | 113.7 | ||
| 14 | S | 49.3 | Very low | 72.8 | Confident | 94 Ų | 94 | 50.7 Ų | 50.7 | 66% | 0.657 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | 16.7 | 177.9 | 60 | 0 | 0 | 0 | 0 | 113.3 | S12 | S12-S14 PolarHBondContact O-N 2.64Å; S12-S14 PolarHBondContact OG-N 2.84Å; S12-S14 PolarHBondContact OG-OG 3.11Å |
| 15 | S | 50.8 | Low | 73.1 | Confident | 49 Ų | 49 | 51.3 Ų | 51.3 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -133.7 | 134.4 | 175.9 | 58.8 | 0 | 0 | 0 | 0 | 109.8 | S10 S12 | S10-S15 WeakPolarHBondContact CB-OG 3.21Å; S10-S15 PolarHBondContact OG-OG 3.11Å; S12-S15 PolarHBondContact O-N 2.79Å; S12-S15 PolarHBondContact O-OG 2.74Å; S12-S15 VanDerWaalsContact O-OG 3.08Å |
| 16 | A | 53.8 | Low | 73.1 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 12% | 0.124 | 31% | 0.306 | C | S | . | . | trans | -47.6 | 141.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A18 L75 Y620 | A16-A18 PolarHBondContact O-N 3.22Å; A16-L75 HydrophobicContact CB-CD2 3.82Å; A16-Y620 HydrophobicContact CB-CD1 4.16Å; A16-Y620 HydrophobicContact CB-CD2 3.52Å; A16-Y620 HydrophobicContact CB-CE1 4.42Å; A16-Y620 HydrophobicContact CB-CE2 3.84Å; A16-Y620 HydrophobicContact CB-CG 3.67Å | ||
| 17 | G | 58.4 | Low | 72.9 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -61.2 | 104.6 | -168 | 0 | 0 | 0 | 0 | 0 | 114.1 | A72 | G17-A72 VanDerWaalsContact O-CB 3.25Å; G17-A72 WeakPolarHBondContact O-CB 3.09Å |
| 18 | A | 71.2 | Confident | 72.6 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 20% | 0.198 | 35% | 0.351 | C | S | . | . | trans | 75.5 | 154.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116 | I8 A16 A72 | I8-A18 CarbonylContact O-C 3.53Å; I8-A18 WeakPolarHBondContact O-CA 3.31Å; I8-A18 VanDerWaalsContact O-CB 3.25Å; I8-A18 WeakPolarHBondContact O-CB 3.41Å; A16-A18 PolarHBondContact O-N 3.22Å; A18-A72 HydrophobicContact CB-CB 4.45Å; A18-A72 WeakPolarHBondContact O-CB 3.49Å | ||
| 19 | I | 80.8 | Confident | 72.1 | Confident | 37 Ų | 37 | 61.5 Ų | 61.5 | 19% | 0.19 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 141.9 | 176.8 | -170.9 | 165.5 | 0 | 0 | 0 | 110.2 | I8 D35 D37 | I8-I19 HydrophobicContact CB-CG2 3.97Å; I8-I19 HydrophobicContact CD1-CG2 4.45Å; I8-I19 PolarHBondContact N-O 2.81Å; I8-I19 PolarHBondContact O-N 3.38Å; I19-D35 HydrophobicContact CD1-CB 3.88Å; I19-D35 HydrophobicContact CG1-CB 4.24Å; I19-D35 HydrophobicContact CG2-CB 4.45Å; I19-D37 HydrophobicContact CD1-CB 4.32Å |
| 20 | G | 84.8 | Confident | 72.6 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 141.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | D36 | G20-D36 WeakPolarHBondContact CA-OD2 3.46Å; G20-D36 WeakPolarHBondContact O-CB 3.24Å; G20-D36 PolarHBondContact O-N 2.87Å |
| 21 | A | 86.7 | Confident | 73.5 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 158.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y5 V6 I8 V33 R34 D35 | Y5-A21 CarbonylContact C-O 3.57Å; Y5-A21 VanDerWaalsContact CA-O 3.28Å; Y5-A21 WeakPolarHBondContact CA-O 3.37Å; V6-A21 HydrophobicContact CG2-CB 4.35Å; V6-A21 PolarHBondContact N-O 3.26Å; V6-A21 PolarHBondContact O-N 2.59Å; I8-A21 HydrophobicContact CD1-CB 3.38Å; I8-A21 HydrophobicContact CG1-CB 3.86Å; A21-V33 HydrophobicContact CB-CB 4.26Å; A21-R34 CarbonylContact C-O 3.54Å; A21-R34 VanDerWaalsContact CA-O 3.27Å; A21-R34 WeakPolarHBondContact CA-O 3.38Å; A21-R34 WeakPolarHBondContact CB-O 3.47Å; A21-D35 HydrophobicContact CB-CB 4.28Å |
| 22 | R | 89.3 | Confident | 75 | Confident | 116 Ų | 116 | 56.2 Ų | 56.2 | 44% | 0.438 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.4 | 173.9 | -170.4 | -178.8 | -179.7 | -168.5 | -7.7 | 110.1 | D4 Y5 L24 V33 R34 | D4-R22 WeakPolarHBondContact O-CA 3.47Å; Y5-R22 HydrophobicContact CD1-CB 3.96Å; Y5-R22 HydrophobicContact CD1-CG 4.32Å; Y5-R22 HydrophobicContact CE1-CB 3.78Å; Y5-R22 HydrophobicContact CE1-CG 4.02Å; Y5-R22 HydrophobicContact CE2-CG 4.35Å; R22-L24 PolarHBondContact O-N 3.29Å; R22-V33 WeakPolarHBondContact O-CA 3.46Å; R22-R34 PolarHBondContact N-O 2.88Å; R22-R34 PolarHBondContact O-N 3.25Å |
| 23 | V | 88.3 | Confident | 76.7 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 121.7 | 175 | -175 | 0 | 0 | 0 | 0 | 109.5 | M1 G3 D4 V6 V26 L31 V33 | M1-V23 VanDerWaalsContact O-CB 3.26Å; M1-V23 WeakPolarHBondContact O-CB 3.29Å; G3-V23 PolarHBondContact N-O 2.94Å; D4-V23 PolarHBondContact O-N 2.83Å; V6-V23 HydrophobicContact CG1-CG2 4.38Å; V6-V23 HydrophobicContact CG2-CG2 4.37Å; V23-V26 HydrophobicContact CG1-CG2 3.96Å; V23-L31 HydrophobicContact CG1-CD2 4.43Å; V23-V33 HydrophobicContact CG2-CG1 4.22Å |
| 24 | L | 89.7 | Confident | 78.6 | Confident | 49 Ų | 49 | 52.7 Ų | 52.7 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -42.6 | 176.1 | -61.4 | -173.5 | 0 | 0 | 0 | 112.1 | I2 R22 Y32 R34 E40 | I2-L24 WeakPolarHBondContact CG2-O 3.2Å; R22-L24 PolarHBondContact O-N 3.29Å; L24-Y32 HydrophobicContact CB-CD1 3.9Å; L24-Y32 HydrophobicContact CB-CE1 4.44Å; L24-Y32 HydrophobicContact CD1-CD1 4.18Å; L24-Y32 HydrophobicContact CD1-CE1 3.97Å; L24-Y32 PolarHBondContact N-O 2.82Å; L24-R34 HydrophobicContact CD1-CB 4.02Å; L24-R34 HydrophobicContact CD2-CB 4.31Å; L24-R34 HydrophobicContact CG-CB 4.15Å; L24-E40 HydrophobicContact CD1-CG 4.26Å |
| 25 | D | 87.9 | Confident | 80.4 | Confident | 75 Ų | 75 | 49.2 Ų | 49.2 | 40% | 0.401 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 166.6 | -176 | -165.4 | 18.1 | 0 | 0 | 0 | 112.1 | Y32 | D25-Y32 HydrophobicContact CB-CD1 4.17Å; D25-Y32 PolarHBondContact N-O 3.12Å; D25-Y32 PolarHBondContact O-N 2.94Å |
| 26 | V | 85.3 | Confident | 81.8 | Confident | 51 Ų | 51 | 49.4 Ų | 49.4 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 110.5 | -178.2 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | M1 I2 V23 R30 L31 | M1-V26 HydrophobicContact CB-CG2 4.29Å; I2-V26 HydrophobicContact CD1-CG2 4.49Å; I2-V26 HydrophobicContact CG1-CB 4.49Å; I2-V26 HydrophobicContact CG1-CG2 3.79Å; V23-V26 HydrophobicContact CG1-CG2 3.96Å; V26-R30 WeakPolarHBondContact CA-O 3.33Å; V26-L31 HydrophobicContact CB-CD2 4.27Å; V26-L31 HydrophobicContact CG1-CD2 3.91Å; V26-L31 HydrophobicContact CG2-CD2 3.55Å |
| 27 | D | 83.6 | Confident | 83 | Confident | 53 Ų | 53 | 53 Ų | 53 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125.2 | 173.8 | 179.6 | 50.2 | 0 | 0 | 0 | 111.2 | G29 R30 W42 | D27-G29 PolarHBondContact O-N 3.15Å; D27-R30 PolarHBondContact N-O 3.15Å; D27-R30 VanDerWaalsContact N-O 3.1Å; D27-R30 WeakPolarHBondContact O-CB 3.18Å; D27-R30 PolarHBondContact O-N 2.79Å; D27-W42 HydrophobicContact CB-CH2 3.75Å; D27-W42 HydrophobicContact CB-CZ3 3.84Å |
| 28 | K | 80.1 | Confident | 84 | Confident | 172 Ų | 172 | 53.4 Ų | 53.4 | 75% | 0.748 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 35.4 | 171.9 | -63.5 | 167.7 | -160.9 | 83.5 | 0 | 114.7 | R30 | K28-R30 VanDerWaalsContact C-N 3.32Š|
| 29 | G | 74.7 | Confident | 84.6 | Confident | 47 Ų | 47 | 60.1 Ų | 60.1 | 49% | 0.485 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D27 | D27-G29 PolarHBondContact O-N 3.15Š|
| 30 | R | 82.6 | Confident | 85 | Confident | 86 Ų | 86 | 62.6 Ų | 62.6 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 145.8 | 168.8 | -61 | -173.2 | -63.9 | -177.9 | -0.5 | 110 | V26 D27 K28 W42 L43 E44 P45 | V26-R30 WeakPolarHBondContact CA-O 3.33Å; D27-R30 PolarHBondContact N-O 3.15Å; D27-R30 VanDerWaalsContact N-O 3.1Å; D27-R30 WeakPolarHBondContact O-CB 3.18Å; D27-R30 PolarHBondContact O-N 2.79Å; K28-R30 VanDerWaalsContact C-N 3.32Å; R30-W42 HydrophobicContact CB-CE3 3.91Å; R30-W42 HydrophobicContact CB-CZ3 4.24Å; R30-L43 VanDerWaalsContact CA-O 3.3Å; R30-L43 WeakPolarHBondContact CA-O 3.35Å; R30-L43 VanDerWaalsContact CB-O 3.31Å; R30-L43 WeakPolarHBondContact CB-O 3.04Å; R30-E44 WeakPolarHBondContact CD-OE1 3.37Å; R30-E44 WeakPolarHBondContact CD-OE2 3.37Å; R30-E44 IonicContact CZ-OE1 3.84Å; R30-E44 IonicContact NE-OE1 3.41Å; R30-E44 IonicContact NH1-OE1 2.82Å; R30-E44 PolarHBondContact NH1-OE1 2.98Å; R30-P45 HydrophobicContact CG-CG 3.95Å |
| 31 | L | 85.2 | Confident | 85.1 | Confident | 23 Ų | 23 | 65.9 Ų | 65.9 | 12% | 0.12 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.8 | -176.1 | -57.3 | 175.8 | 0 | 0 | 0 | 109.5 | M1 V23 V26 V33 L43 L49 | M1-L31 HydrophobicContact SD-CD2 4.01Å; V23-L31 HydrophobicContact CG1-CD2 4.43Å; V26-L31 HydrophobicContact CB-CD2 4.27Å; V26-L31 HydrophobicContact CG1-CD2 3.91Å; V26-L31 HydrophobicContact CG2-CD2 3.55Å; L31-V33 HydrophobicContact CB-CG1 4.03Å; L31-L43 HydrophobicContact CB-CB 4.44Å; L31-L43 PolarHBondContact N-O 2.87Å; L31-L43 VanDerWaalsContact N-O 3.14Å; L31-L43 PolarHBondContact O-N 3.37Å; L31-L49 HydrophobicContact CD1-CD1 3.41Å; L31-L49 VanDerWaalsContact CD1-CD1 3.41Å |
| 32 | Y | 89.6 | Confident | 85.1 | Confident | 61 Ų | 61 | 71 Ų | 71 | 24% | 0.239 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 119.1 | 167.8 | -172 | -140.6 | 0 | 0 | 0 | 108.1 | L24 D25 E40 W42 | L24-Y32 HydrophobicContact CB-CD1 3.9Å; L24-Y32 HydrophobicContact CB-CE1 4.44Å; L24-Y32 HydrophobicContact CD1-CD1 4.18Å; L24-Y32 HydrophobicContact CD1-CE1 3.97Å; L24-Y32 PolarHBondContact N-O 2.82Å; D25-Y32 HydrophobicContact CB-CD1 4.17Å; D25-Y32 PolarHBondContact N-O 3.12Å; D25-Y32 PolarHBondContact O-N 2.94Å; Y32-E40 HydrophobicContact CE2-CB 3.84Å; Y32-E40 PolarHBondContact OH-OE2 2.99Å; Y32-W42 HydrophobicContact CD1-CZ2 4.43Å; Y32-W42 AromaticContact CD2-CD1 3.65Å; Y32-W42 HydrophobicContact CD2-CD2 4.05Å; Y32-W42 AromaticContact CD2-CE2 3.75Å; Y32-W42 HydrophobicContact CD2-CG 4.02Å; Y32-W42 HydrophobicContact CD2-CZ2 4.37Å; Y32-W42 AromaticContact CD2-NE1 3.45Å; Y32-W42 AromaticContact CE2-NE1 3.84Å; Y32-W42 HydrophobicContact CG-CD2 4.24Å; Y32-W42 AromaticContact CG-CE2 3.79Å; Y32-W42 AromaticContact CG-CZ2 3.96Å; Y32-W42 HydrophobicContact CG-CZ2 3.96Å; Y32-W42 AromaticContact CG-NE1 3.94Å |
| 33 | V | 88.9 | Confident | 84.9 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.8 | -172.8 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | I8 A21 R22 V23 L31 E40 V41 L43 | I8-V33 HydrophobicContact CD1-CG2 3.7Å; A21-V33 HydrophobicContact CB-CB 4.26Å; R22-V33 WeakPolarHBondContact O-CA 3.46Å; V23-V33 HydrophobicContact CG2-CG1 4.22Å; L31-V33 HydrophobicContact CB-CG1 4.03Å; V33-E40 WeakPolarHBondContact O-CA 3.14Å; V33-V41 WeakPolarHBondContact CG2-O 3.39Å; V33-V41 PolarHBondContact N-O 3.17Å; V33-V41 PolarHBondContact O-N 3.49Å; V33-L43 HydrophobicContact CG1-CD1 3.92Å; V33-L43 HydrophobicContact CG1-CG 4.34Å; V33-L43 HydrophobicContact CG2-CD1 3.87Å; V33-L43 HydrophobicContact CG2-CD2 4.28Å; V33-L43 HydrophobicContact CG2-CG 3.79Å |
| 34 | R | 89.6 | Confident | 84.5 | Confident | 111 Ų | 111 | 70.8 Ų | 70.8 | 42% | 0.419 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.8 | 163.3 | -167.7 | -177.3 | -61.7 | 145.7 | 0.3 | 108.4 | A21 R22 L24 R39 E40 | A21-R34 CarbonylContact C-O 3.54Å; A21-R34 VanDerWaalsContact CA-O 3.27Å; A21-R34 WeakPolarHBondContact CA-O 3.38Å; A21-R34 WeakPolarHBondContact CB-O 3.47Å; R22-R34 PolarHBondContact N-O 2.88Å; R22-R34 PolarHBondContact O-N 3.25Å; L24-R34 HydrophobicContact CD1-CB 4.02Å; L24-R34 HydrophobicContact CD2-CB 4.31Å; L24-R34 HydrophobicContact CG-CB 4.15Å; R34-R39 CarbonylContact C-O 3.54Å; R34-R39 VanDerWaalsContact CA-O 3.31Å; R34-R39 WeakPolarHBondContact CA-O 3.46Å; R34-E40 HydrophobicContact CB-CG 4.1Å; R34-E40 HydrophobicContact CG-CG 3.86Å; R34-E40 IonicContact CZ-OE1 2.71Å; R34-E40 IonicContact NE-OE1 2.7Å; R34-E40 PolarHBondContact NE-OE1 2.61Å; R34-E40 IonicContact NH2-OE1 3.76Å; R34-E40 PolarHBondContact NH2-OE1 2.79Å |
| 35 | D | 86.8 | Confident | 83.9 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 11% | 0.112 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 162.9 | 172.6 | 73 | 21.4 | 0 | 0 | 0 | 111.6 | I19 A21 D37 G38 R39 | I19-D35 HydrophobicContact CD1-CB 3.88Å; I19-D35 HydrophobicContact CG1-CB 4.24Å; I19-D35 HydrophobicContact CG2-CB 4.45Å; A21-D35 HydrophobicContact CB-CB 4.28Å; D35-D37 PolarHBondContact O-N 3.2Å; D35-D37 VanDerWaalsContact OD1-C 3.31Å; D35-D37 WeakPolarHBondContact OD1-CA 3.43Å; D35-D37 WeakPolarHBondContact OD1-CB 3.49Å; D35-D37 PolarHBondContact OD1-N 3.43Å; D35-G38 WeakPolarHBondContact O-CA 3.23Å; D35-G38 PolarHBondContact O-N 3.03Å; D35-G38 PolarHBondContact OD1-N 3.14Å; D35-R39 PolarHBondContact N-O 2.92Å; D35-R39 WeakPolarHBondContact OD1-CB 3.05Å; D35-R39 PolarHBondContact OD1-N 2.86Å |
| 36 | D | 81.5 | Confident | 83.3 | Confident | 53 Ų | 53 | 75.1 Ų | 75.1 | 28% | 0.283 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -16.1 | 177.2 | -75.2 | -29.7 | 0 | 0 | 0 | 113.2 | G20 R76 R616 | G20-D36 WeakPolarHBondContact CA-OD2 3.46Å; G20-D36 WeakPolarHBondContact O-CB 3.24Å; G20-D36 PolarHBondContact O-N 2.87Å; D36-R76 VanDerWaalsContact CG-NE 3.35Å; D36-R76 IonicContact OD1-CZ 2.61Å; D36-R76 IonicContact OD1-NE 2.69Å; D36-R76 PolarHBondContact OD1-NE 3.15Å; D36-R76 VanDerWaalsContact OD1-NE 3.13Å; D36-R76 IonicContact OD1-NH2 3.47Å; D36-R76 PolarHBondContact OD1-NH2 3.01Å; D36-R76 VanDerWaalsContact OD2-CD 3.31Å; D36-R76 WeakPolarHBondContact OD2-CD 3.24Å; D36-R76 IonicContact OD2-CZ 3.67Å; D36-R76 IonicContact OD2-NE 2.63Å; D36-R76 PolarHBondContact OD2-NE 3.29Å; D36-R76 IonicContact OD2-NH2 3.12Å; D36-R616 IonicContact OD2-CZ 2.99Å; D36-R616 IonicContact OD2-NH2 3.77Å; D36-R616 PolarHBondContact OD2-NH2 3.02Å |
| 37 | D | 78.1 | Confident | 82.7 | Confident | 90 Ų | 90 | 75 Ų | 75 | 48% | 0.481 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 1.2 | 172 | -71.3 | -4.5 | 0 | 0 | 0 | 111.5 | I19 D35 R616 | I19-D37 HydrophobicContact CD1-CB 4.32Å; D35-D37 PolarHBondContact O-N 3.2Å; D35-D37 VanDerWaalsContact OD1-C 3.31Å; D35-D37 WeakPolarHBondContact OD1-CA 3.43Å; D35-D37 WeakPolarHBondContact OD1-CB 3.49Å; D35-D37 PolarHBondContact OD1-N 3.43Å; D37-R616 VanDerWaalsContact OD1-CD 3.31Å; D37-R616 WeakPolarHBondContact OD1-CD 3.35Å; D37-R616 IonicContact OD1-CZ 2.97Å; D37-R616 IonicContact OD1-NE 3.04Å; D37-R616 IonicContact OD1-NH1 3.58Å; D37-R616 PolarHBondContact OD1-NH1 2.76Å |
| 38 | G | 80.2 | Confident | 82 | Confident | 48 Ų | 48 | 77.9 Ų | 77.9 | 50% | 0.495 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 87.7 | 5.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D35 | D35-G38 WeakPolarHBondContact O-CA 3.23Å; D35-G38 PolarHBondContact O-N 3.03Å; D35-G38 PolarHBondContact OD1-N 3.14Å |
| 39 | R | 82.8 | Confident | 81.7 | Confident | 166 Ų | 166 | 72.1 Ų | 72.1 | 63% | 0.626 | 38% | 0.384 | S | S | * | . | trans | -84.6 | 136.2 | -177.4 | -54.7 | 173.9 | 173.8 | 177.4 | -0.5 | 110.7 | R34 D35 | R34-R39 CarbonylContact C-O 3.54Å; R34-R39 VanDerWaalsContact CA-O 3.31Å; R34-R39 WeakPolarHBondContact CA-O 3.46Å; D35-R39 PolarHBondContact N-O 2.92Å; D35-R39 WeakPolarHBondContact OD1-CB 3.05Å; D35-R39 PolarHBondContact OD1-N 2.86Å | ||
| 40 | E | 89.8 | Confident | 81.9 | Confident | 88 Ų | 88 | 72.9 Ų | 72.9 | 41% | 0.411 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120.6 | 179.8 | -64.1 | -178.2 | 158 | 0 | 0 | 110.5 | L24 Y32 V33 R34 | L24-E40 HydrophobicContact CD1-CG 4.26Å; Y32-E40 HydrophobicContact CE2-CB 3.84Å; Y32-E40 PolarHBondContact OH-OE2 2.99Å; V33-E40 WeakPolarHBondContact O-CA 3.14Å; R34-E40 HydrophobicContact CB-CG 4.1Å; R34-E40 HydrophobicContact CG-CG 3.86Å; R34-E40 IonicContact CZ-OE1 2.71Å; R34-E40 IonicContact NE-OE1 2.7Å; R34-E40 PolarHBondContact NE-OE1 2.61Å; R34-E40 IonicContact NH2-OE1 3.76Å; R34-E40 PolarHBondContact NH2-OE1 2.79Å |
| 41 | V | 86.7 | Confident | 81.8 | Confident | 70 Ų | 70 | 75 Ų | 75 | 42% | 0.424 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 144.5 | -169.8 | -177.4 | 0 | 0 | 0 | 0 | 110 | V33 L43 | V33-V41 WeakPolarHBondContact CG2-O 3.39Å; V33-V41 PolarHBondContact N-O 3.17Å; V33-V41 PolarHBondContact O-N 3.49Å; V41-L43 HydrophobicContact CG1-CD2 4.41Å |
| 42 | W | 86.7 | Confident | 81.8 | Confident | 107 Ų | 107 | 74.2 Ų | 74.2 | 41% | 0.405 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.2 | 166.9 | -77.2 | 91.1 | 0 | 0 | 0 | 110 | D27 R30 Y32 | D27-W42 HydrophobicContact CB-CH2 3.75Å; D27-W42 HydrophobicContact CB-CZ3 3.84Å; R30-W42 HydrophobicContact CB-CE3 3.91Å; R30-W42 HydrophobicContact CB-CZ3 4.24Å; Y32-W42 HydrophobicContact CD1-CZ2 4.43Å; Y32-W42 AromaticContact CD2-CD1 3.65Å; Y32-W42 HydrophobicContact CD2-CD2 4.05Å; Y32-W42 AromaticContact CD2-CE2 3.75Å; Y32-W42 HydrophobicContact CD2-CG 4.02Å; Y32-W42 HydrophobicContact CD2-CZ2 4.37Å; Y32-W42 AromaticContact CD2-NE1 3.45Å; Y32-W42 AromaticContact CE2-NE1 3.84Å; Y32-W42 HydrophobicContact CG-CD2 4.24Å; Y32-W42 AromaticContact CG-CE2 3.79Å; Y32-W42 AromaticContact CG-CZ2 3.96Å; Y32-W42 HydrophobicContact CG-CZ2 3.96Å; Y32-W42 AromaticContact CG-NE1 3.94Å |
| 43 | L | 84.2 | Confident | 81.4 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 10% | 0.099 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.3 | 173.7 | -57.2 | -178.1 | 0 | 0 | 0 | 110.4 | I8 R30 L31 V33 V41 V47 L49 | I8-L43 HydrophobicContact CD1-CD1 3.99Å; I8-L43 HydrophobicContact CD1-CD2 4.45Å; I8-L43 HydrophobicContact CG1-CD1 4.06Å; I8-L43 HydrophobicContact CG2-CD1 4.36Å; I8-L43 HydrophobicContact CG2-CD2 4.26Å; R30-L43 VanDerWaalsContact CA-O 3.3Å; R30-L43 WeakPolarHBondContact CA-O 3.35Å; R30-L43 VanDerWaalsContact CB-O 3.31Å; R30-L43 WeakPolarHBondContact CB-O 3.04Å; L31-L43 HydrophobicContact CB-CB 4.44Å; L31-L43 PolarHBondContact N-O 2.87Å; L31-L43 VanDerWaalsContact N-O 3.14Å; L31-L43 PolarHBondContact O-N 3.37Å; V33-L43 HydrophobicContact CG1-CD1 3.92Å; V33-L43 HydrophobicContact CG1-CG 4.34Å; V33-L43 HydrophobicContact CG2-CD1 3.87Å; V33-L43 HydrophobicContact CG2-CD2 4.28Å; V33-L43 HydrophobicContact CG2-CG 3.79Å; V41-L43 HydrophobicContact CG1-CD2 4.41Å; L43-V47 HydrophobicContact CB-CG2 4.45Å; L43-L49 HydrophobicContact CD1-CD1 3.85Å; L43-L49 HydrophobicContact CD1-CD2 3.95Å; L43-L49 HydrophobicContact CD1-CG 4.45Å |
| 44 | E | 81.5 | Confident | 80.9 | Confident | 95 Ų | 95 | 78 Ų | 78 | 44% | 0.444 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 154.4 | 173.2 | -69.5 | -63.4 | 147.6 | 0 | 0 | 111.4 | R30 T46 V47 | R30-E44 WeakPolarHBondContact CD-OE1 3.37Å; R30-E44 WeakPolarHBondContact CD-OE2 3.37Å; R30-E44 IonicContact CZ-OE1 3.84Å; R30-E44 IonicContact NE-OE1 3.41Å; R30-E44 IonicContact NH1-OE1 2.82Å; R30-E44 PolarHBondContact NH1-OE1 2.98Å; E44-T46 PolarHBondContact O-N 3.03Å; E44-V47 WeakPolarHBondContact O-CG2 3.45Å; E44-V47 PolarHBondContact O-N 3.34Å; E44-V47 VanDerWaalsContact O-N 3.15Å |
| 45 | P | 75.3 | Confident | 80.4 | Confident | 86 Ų | 86 | 74.2 Ų | 74.2 | 56% | 0.558 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -4.8 | -167.8 | -16.9 | 32.4 | 0 | 0 | 0 | 114.5 | R30 | R30-P45 HydrophobicContact CG-CG 3.95Š|
| 46 | T | 77 | Confident | 80.1 | Confident | 130 Ų | 130 | 73.3 Ų | 73.3 | 80% | 0.798 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -10.1 | 178.1 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | E44 C48 | E44-T46 PolarHBondContact O-N 3.03Å; T46-C48 PolarHBondContact O-N 3.44Å |
| 47 | V | 71.2 | Confident | 80.1 | Confident | 48 Ų | 48 | 72.5 Ų | 72.5 | 29% | 0.291 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -72.5 | 116.1 | 178.6 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | I8 P9 L43 E44 L49 | I8-V47 HydrophobicContact CG2-CG1 4.46Å; P9-V47 HydrophobicContact CG-CG1 4.11Å; L43-V47 HydrophobicContact CB-CG2 4.45Å; E44-V47 WeakPolarHBondContact O-CG2 3.45Å; E44-V47 PolarHBondContact O-N 3.34Å; E44-V47 VanDerWaalsContact O-N 3.15Å; V47-L49 HydrophobicContact CG1-CD2 3.86Å; V47-L49 HydrophobicContact CG1-CG 4.07Å; V47-L49 PolarHBondContact O-N 3.49Å; V47-L49 VanDerWaalsContact O-N 3.1Å |
| 48 | C | 70.1 | Confident | 80.1 | Confident | 114 Ų | 114 | 75.4 Ų | 75.4 | 77% | 0.77 | 41% | 0.412 | S | S | * | . | trans | -73.8 | 102.7 | 176.8 | -167.1 | 0 | 0 | 0 | 0 | 110.1 | P9 T46 | P9-C48 WeakPolarHBondContact CD-O 3.3Å; T46-C48 PolarHBondContact O-N 3.44Å | ||
| 49 | L | 74 | Confident | 80.2 | Confident | 50 Ų | 50 | 73.9 Ų | 73.9 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | trans | -101.7 | 147.7 | -179.5 | -64.8 | 170.5 | 0 | 0 | 0 | 111.2 | W7 I8 L31 L43 V47 | W7-L49 VanDerWaalsContact O-CD2 3.3Å; W7-L49 WeakPolarHBondContact O-CD2 3.46Å; I8-L49 HydrophobicContact CB-CD2 4.19Å; I8-L49 HydrophobicContact CG1-CD2 3.95Å; I8-L49 HydrophobicContact CG2-CD2 4.32Å; L31-L49 HydrophobicContact CD1-CD1 3.41Å; L31-L49 VanDerWaalsContact CD1-CD1 3.41Å; L43-L49 HydrophobicContact CD1-CD1 3.85Å; L43-L49 HydrophobicContact CD1-CD2 3.95Å; L43-L49 HydrophobicContact CD1-CG 4.45Å; V47-L49 HydrophobicContact CG1-CD2 3.86Å; V47-L49 HydrophobicContact CG1-CG 4.07Å; V47-L49 PolarHBondContact O-N 3.49Å; V47-L49 VanDerWaalsContact O-N 3.1Å | ||
| 50 | S | 78.2 | Confident | 80.4 | Confident | 64 Ų | 64 | 66.9 Ų | 66.9 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 143.2 | 166.6 | 53 | 0 | 0 | 0 | 0 | 110.5 | V6 W7 | V6-S50 CarbonylContact C-O 3.58Å; V6-S50 VanDerWaalsContact CA-O 3.29Å; V6-S50 WeakPolarHBondContact CA-O 3.46Å; W7-S50 PolarHBondContact N-O 2.94Å |
| 51 | I | 81.2 | Confident | 80.4 | Confident | 131 Ų | 131 | 66.5 Ų | 66.5 | 67% | 0.672 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 132.1 | 176.4 | -60 | 175 | 0 | 0 | 0 | 108.1 | ||
| 52 | M | 84.7 | Confident | 80.5 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 3% | 0.03 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 129.3 | -179.7 | -175.3 | -179.1 | -56.6 | 0 | 0 | 110.5 | Y5 W7 V57 | Y5-M52 WeakPolarHBondContact O-CB 3.34Å; Y5-M52 PolarHBondContact O-N 3.33Å; W7-M52 HydrophobicContact CD2-CE 3.89Å; W7-M52 HydrophobicContact CE3-CE 3.96Å; W7-M52 HydrophobicContact CH2-CE 3.88Å; W7-M52 HydrophobicContact CH2-SD 4.44Å; W7-M52 HydrophobicContact CZ2-CE 3.83Å; W7-M52 HydrophobicContact CZ2-CG 3.91Å; W7-M52 HydrophobicContact CZ2-SD 4.1Å; W7-M52 HydrophobicContact CZ3-CE 3.95Å; M52-V57 HydrophobicContact CB-CG2 4.2Å; M52-V57 HydrophobicContact CG-CG2 3.81Å; M52-V57 HydrophobicContact SD-CB 4.43Å; M52-V57 HydrophobicContact SD-CG2 3.74Å |
| 53 | H | 81.3 | Confident | 80.5 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 31% | 0.306 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 143.1 | 178.6 | -170.7 | -94.5 | 0 | 0 | 0 | 110.9 | T55 S56 V57 I67 D68 | H53-T55 PolarHBondContact ND1-N 3.49Å; H53-T55 PolarHBondContact ND1-OG1 3.38Å; H53-T55 PolarHBondContact O-N 2.92Å; H53-S56 WeakPolarHBondContact O-CA 3.28Å; H53-S56 VanDerWaalsContact O-CB 3.31Å; H53-S56 WeakPolarHBondContact O-CB 3.29Å; H53-S56 PolarHBondContact O-N 2.93Å; H53-S56 PolarHBondContact O-OG 2.93Å; H53-V57 PolarHBondContact O-N 3.46Å; H53-I67 HydrophobicContact CB-CB 4.41Å; H53-I67 HydrophobicContact CB-CG2 4.23Å; H53-I67 WeakPolarHBondContact CE1-CD1 3.4Å; H53-D68 VanDerWaalsContact CB-OD1 3.28Å; H53-D68 WeakPolarHBondContact CB-OD1 3.17Å; H53-D68 PolarHBondContact N-OD2 3Å |
| 54 | P | 77.9 | Confident | 80.4 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 49% | 0.494 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -51.2 | -32.7 | -177.3 | -33.2 | 37.5 | 0 | 0 | 0 | 116.2 | S56 V57 Q58 | P54-S56 VanDerWaalsContact C-N 3.26Å; P54-S56 PolarHBondContact O-N 2.92Å; P54-V57 WeakPolarHBondContact O-CB 3.38Å; P54-V57 PolarHBondContact O-N 2.67Å; P54-V57 VanDerWaalsContact O-N 3.17Å; P54-Q58 PolarHBondContact O-N 2.86Å |
| 55 | T | 80 | Confident | 80.5 | Confident | 31 Ų | 31 | 59 Ų | 59 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.8 | -34.7 | 172.8 | 52 | 0 | 0 | 0 | 0 | 113.1 | H53 G59 V60 I67 | H53-T55 PolarHBondContact ND1-N 3.49Å; H53-T55 PolarHBondContact ND1-OG1 3.38Å; H53-T55 PolarHBondContact O-N 2.92Å; T55-G59 CarbonylContact O-C 3.6Å; T55-G59 VanDerWaalsContact O-CA 3.28Å; T55-G59 WeakPolarHBondContact O-CA 3.44Å; T55-G59 PolarHBondContact O-N 3Å; T55-V60 HydrophobicContact CG2-CG1 4.15Å; T55-I67 PolarHBondContact OG1-N 3.11Å |
| 56 | S | 80.7 | Confident | 80.8 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -83.4 | -20.8 | 179.1 | -40 | 0 | 0 | 0 | 0 | 112 | H53 P54 D68 R76 | H53-S56 WeakPolarHBondContact O-CA 3.28Å; H53-S56 VanDerWaalsContact O-CB 3.31Å; H53-S56 WeakPolarHBondContact O-CB 3.29Å; H53-S56 PolarHBondContact O-N 2.93Å; H53-S56 PolarHBondContact O-OG 2.93Å; P54-S56 VanDerWaalsContact C-N 3.26Å; P54-S56 PolarHBondContact O-N 2.92Å; S56-D68 VanDerWaalsContact CB-OD2 3.29Å; S56-D68 WeakPolarHBondContact CB-OD2 3.27Å; S56-D68 WeakPolarHBondContact OG-CB 3.37Å; S56-D68 PolarHBondContact OG-OD2 2.99Å; S56-R76 PolarHBondContact O-NH1 3.01Å |
| 57 | V | 80.7 | Confident | 81 | Confident | 35 Ų | 35 | 53.5 Ų | 53.5 | 21% | 0.212 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.1 | -53.7 | 173.6 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | Y5 M52 H53 P54 R76 | Y5-V57 HydrophobicContact CD1-CG1 4.41Å; Y5-V57 HydrophobicContact CD2-CB 4.43Å; Y5-V57 HydrophobicContact CD2-CG1 3.49Å; Y5-V57 VanDerWaalsContact CD2-CG1 3.49Å; Y5-V57 HydrophobicContact CD2-CG2 4.01Å; Y5-V57 HydrophobicContact CE1-CG1 4.48Å; Y5-V57 HydrophobicContact CE2-CG1 3.57Å; Y5-V57 HydrophobicContact CG-CG1 3.93Å; Y5-V57 HydrophobicContact CG-CG2 3.99Å; M52-V57 HydrophobicContact CB-CG2 4.2Å; M52-V57 HydrophobicContact CG-CG2 3.81Å; M52-V57 HydrophobicContact SD-CB 4.43Å; M52-V57 HydrophobicContact SD-CG2 3.74Å; H53-V57 PolarHBondContact O-N 3.46Å; P54-V57 WeakPolarHBondContact O-CB 3.38Å; P54-V57 PolarHBondContact O-N 2.67Å; P54-V57 VanDerWaalsContact O-N 3.17Å; V57-R76 PolarHBondContact O-NH1 3.05Å |
| 58 | Q | 79 | Confident | 81.3 | Confident | 152 Ų | 152 | 52.6 Ų | 52.6 | 71% | 0.71 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -83.3 | -22.1 | -175.8 | -65.4 | 178.8 | -16 | 0 | 0 | 113.4 | P54 | P54-Q58 PolarHBondContact O-N 2.86Å |
| 59 | G | 80.4 | Confident | 81.5 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | trans | 80.7 | 163 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T55 N77 | T55-G59 CarbonylContact O-C 3.6Å; T55-G59 VanDerWaalsContact O-CA 3.28Å; T55-G59 WeakPolarHBondContact O-CA 3.44Å; T55-G59 PolarHBondContact O-N 3Å; G59-N77 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 60 | V | 88.7 | Confident | 81.7 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | trans | -137.6 | 145.4 | -177.2 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | T55 N62 L66 N77 R81 | T55-V60 HydrophobicContact CG2-CG1 4.15Å; V60-N62 VanDerWaalsContact CG2-O 3.22Å; V60-N62 WeakPolarHBondContact CG2-O 3.44Å; V60-N62 PolarHBondContact O-N 3.33Å; V60-L66 HydrophobicContact CG2-CD2 4.2Å; V60-L66 HydrophobicContact CG2-CG 3.72Å; V60-N77 PolarHBondContact N-OD1 3.3Å; V60-N77 PolarHBondContact O-ND2 3.03Å; V60-N77 VanDerWaalsContact O-ND2 3.08Å; V60-N77 PolarHBondContact O-OD1 3.15Å; V60-R81 WeakPolarHBondContact O-CD 3.38Å | ||
| 61 | E | 90.1 | Very high | 81.7 | Confident | 79 Ų | 79 | 50.1 Ų | 50.1 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -66.7 | -26.1 | 178.2 | -61.9 | -144.8 | 123.1 | 0 | 0 | 113.3 | T89 Y90 P124 P125 | E61-T89 WeakPolarHBondContact O-CG2 3.44Å; E61-Y90 PolarHBondContact O-N 2.88Å; E61-P124 WeakPolarHBondContact OE1-CB 3.44Å; E61-P125 HydrophobicContact CB-CG 3.81Å; E61-P125 VanDerWaalsContact CD-CD 3.42Å; E61-P125 HydrophobicContact CG-CG 4.48Å; E61-P125 WeakPolarHBondContact O-CG 3.38Å; E61-P125 VanDerWaalsContact OE1-CD 3.31Å; E61-P125 WeakPolarHBondContact OE1-CD 3.45Å |
| 62 | N | 87.1 | Confident | 81.6 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -130.1 | 121.4 | -179.4 | 167.2 | 35.5 | 0 | 0 | 0 | 110.4 | V60 V64 D65 Y90 S92 | V60-N62 VanDerWaalsContact CG2-O 3.22Å; V60-N62 WeakPolarHBondContact CG2-O 3.44Å; V60-N62 PolarHBondContact O-N 3.33Å; N62-V64 PolarHBondContact O-N 3.32Å; N62-V64 VanDerWaalsContact O-N 3.07Å; N62-V64 PolarHBondContact OD1-N 2.85Å; N62-D65 WeakPolarHBondContact CB-OD2 3.14Å; N62-D65 PolarHBondContact ND2-OD1 3.06Å; N62-D65 PolarHBondContact ND2-OD2 3.3Å; N62-D65 WeakPolarHBondContact O-CB 3.45Å; N62-D65 PolarHBondContact O-N 2.63Å; N62-Y90 CarbonylContact C-O 3.48Å; N62-Y90 WeakPolarHBondContact CA-O 3.38Å; N62-S92 PolarHBondContact OD1-N 3.46Å |
| 63 | M | 87.2 | Confident | 81.6 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -58.9 | -21.1 | -176.6 | -69.8 | -72.1 | -144.1 | 0 | 0 | 114.6 | D65 L66 V74 N77 L78 T89 Y90 A91 I96 I632 | M63-D65 PolarHBondContact O-N 3.39Å; M63-L66 PolarHBondContact O-N 2.93Å; M63-L66 HydrophobicContact SD-CD1 3.75Å; M63-V74 HydrophobicContact CE-CB 4.38Å; M63-V74 HydrophobicContact CE-CG1 3.54Å; M63-V74 HydrophobicContact SD-CG1 4.34Å; M63-N77 HydrophobicContact SD-CB 4.24Å; M63-N77 PolarHBondContact SD-ND2 3.29Å; M63-L78 HydrophobicContact CE-CD1 3.95Å; M63-L78 HydrophobicContact CE-CD2 3.69Å; M63-L78 HydrophobicContact CE-CG 3.54Å; M63-T89 HydrophobicContact CG-CG2 4.05Å; M63-T89 HydrophobicContact SD-CG2 4.41Å; M63-Y90 WeakPolarHBondContact CG-O 3.28Å; M63-Y90 PolarHBondContact N-O 2.79Å; M63-A91 HydrophobicContact CB-CB 4.13Å; M63-A91 HydrophobicContact CG-CB 4.34Å; M63-I96 HydrophobicContact CE-CD1 3.78Å; M63-I96 HydrophobicContact CG-CD1 4.05Å; M63-I632 HydrophobicContact CB-CD1 3.8Å; M63-I632 HydrophobicContact CB-CG1 3.97Å; M63-I632 HydrophobicContact CB-CG2 4.12Å; M63-I632 HydrophobicContact CE-CD1 4.41Å; M63-I632 HydrophobicContact CG-CD1 3.93Å; M63-I632 HydrophobicContact SD-CD1 4.47Å |
| 64 | V | 82.4 | Confident | 81.9 | Confident | 22 Ų | 22 | 40.8 Ų | 40.8 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -66.7 | -26.2 | 175.1 | 169.6 | 0 | 0 | 0 | 0 | 111.7 | N62 R635 K636 | N62-V64 PolarHBondContact O-N 3.32Å; N62-V64 VanDerWaalsContact O-N 3.07Å; N62-V64 PolarHBondContact OD1-N 2.85Å; V64-R635 HydrophobicContact CG2-CB 4.41Å; V64-K636 HydrophobicContact CG1-CB 4.04Å; V64-K636 HydrophobicContact CG1-CG 4.06Å; V64-K636 WeakPolarHBondContact O-CD 3.26Å; V64-K636 WeakPolarHBondContact O-CE 3.48Å |
| 65 | D | 82.8 | Confident | 82.4 | Confident | 88 Ų | 88 | 37.5 Ų | 37.5 | 47% | 0.471 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -87.9 | -4.5 | -176.4 | -50.9 | -35.7 | 0 | 0 | 0 | 112.7 | N62 M63 I67 | N62-D65 WeakPolarHBondContact CB-OD2 3.14Å; N62-D65 PolarHBondContact ND2-OD1 3.06Å; N62-D65 PolarHBondContact ND2-OD2 3.3Å; N62-D65 WeakPolarHBondContact O-CB 3.45Å; N62-D65 PolarHBondContact O-N 2.63Å; M63-D65 PolarHBondContact O-N 3.39Å; D65-I67 PolarHBondContact O-N 3.31Å |
| 66 | L | 81.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | trans | -63.9 | 116.7 | 166.5 | -86.2 | 169.8 | 0 | 0 | 0 | 109.3 | V60 M63 V74 N77 K636 | V60-L66 HydrophobicContact CG2-CD2 4.2Å; V60-L66 HydrophobicContact CG2-CG 3.72Å; M63-L66 PolarHBondContact O-N 2.93Å; M63-L66 HydrophobicContact SD-CD1 3.75Å; L66-V74 HydrophobicContact CD1-CG2 4.3Å; L66-N77 HydrophobicContact CD1-CB 4.08Å; L66-N77 HydrophobicContact CD2-CB 4.48Å; L66-K636 WeakPolarHBondContact O-CE 3.47Å; L66-K636 PolarHBondContact O-NZ 3.36Å | ||
| 67 | I | 80.8 | Confident | 83.3 | Confident | 99 Ų | 99 | 36.7 Ų | 36.7 | 51% | 0.508 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -71.2 | -48.7 | 174.5 | -81.4 | 162.2 | 0 | 0 | 0 | 110.8 | H53 T55 D65 M69 K636 | H53-I67 HydrophobicContact CB-CB 4.41Å; H53-I67 HydrophobicContact CB-CG2 4.23Å; H53-I67 WeakPolarHBondContact CE1-CD1 3.4Å; T55-I67 PolarHBondContact OG1-N 3.11Å; D65-I67 PolarHBondContact O-N 3.31Å; I67-M69 PolarHBondContact O-N 3.38Å; I67-M69 VanDerWaalsContact O-N 3.12Å; I67-K636 PolarHBondContact O-NZ 2.85Å |
| 68 | D | 77.7 | Confident | 83.8 | Confident | 28 Ų | 28 | 35.1 Ų | 35.1 | 15% | 0.15 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -67.5 | 106.6 | 169 | -53.3 | -21.2 | 0 | 0 | 0 | 109 | W7 H53 S56 A73 | W7-D68 PolarHBondContact NE1-OD2 2.86Å; H53-D68 VanDerWaalsContact CB-OD1 3.28Å; H53-D68 WeakPolarHBondContact CB-OD1 3.17Å; H53-D68 PolarHBondContact N-OD2 3Å; S56-D68 VanDerWaalsContact CB-OD2 3.29Å; S56-D68 WeakPolarHBondContact CB-OD2 3.27Å; S56-D68 WeakPolarHBondContact OG-CB 3.37Å; S56-D68 PolarHBondContact OG-OD2 2.99Å; D68-A73 HydrophobicContact CB-CB 3.86Å; D68-A73 WeakPolarHBondContact O-CB 3.49Å |
| 69 | M | 75.7 | Confident | 84.3 | Confident | 54 Ų | 54 | 28.7 Ų | 28.7 | 27% | 0.266 | 15% | 0.152 | S | C | . | . | trans | -111.2 | 68.7 | -175 | -172.2 | 170.5 | 51.3 | 0 | 0 | 111.2 | I67 H633 K636 | I67-M69 PolarHBondContact O-N 3.38Å; I67-M69 VanDerWaalsContact O-N 3.12Å; M69-H633 VanDerWaalsContact CE-CE1 3.42Å; M69-H633 WeakPolarHBondContact CE-CE1 2.81Å; M69-H633 HydrophobicContact SD-CB 4.31Å; M69-K636 HydrophobicContact CE-CD 3.81Å; M69-K636 HydrophobicContact SD-CB 4.09Å; M69-K636 HydrophobicContact SD-CD 3.4Å; M69-K636 WeakPolarHBondContact SD-CD 3.42Å; M69-K636 HydrophobicContact SD-CG 4.35Å | ||
| 70 | H | 77.7 | Confident | 84.7 | Confident | 62 Ų | 62 | 29.3 Ų | 29.3 | 29% | 0.287 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -135.8 | 169.6 | 172.9 | 59.7 | 82.6 | 0 | 0 | 0 | 110.8 | W7 A72 A73 V74 | W7-H70 AromaticContact CD1-NE2 3.8Å; W7-H70 AromaticContact CD2-CE1 3.62Å; W7-H70 AromaticContact CD2-NE2 3.96Å; W7-H70 AromaticContact CE2-CE1 3.48Å; W7-H70 VanDerWaalsContact CE2-CE1 3.48Å; W7-H70 AromaticContact CE2-NE2 3.55Å; W7-H70 AromaticContact CE3-CE1 3.97Å; W7-H70 AromaticContact CZ2-CE1 3.75Å; W7-H70 AromaticContact NE1-CE1 3.85Å; W7-H70 AromaticContact NE1-NE2 3.44Å; W7-H70 PolarHBondContact NE1-NE2 3.41Å; H70-A72 PolarHBondContact O-N 3.02Å; H70-A73 PolarHBondContact ND1-N 3.45Å; H70-A73 WeakPolarHBondContact O-CB 3.46Å; H70-A73 PolarHBondContact O-N 3.48Å; H70-A73 VanDerWaalsContact O-N 3.08Å; H70-V74 PolarHBondContact O-N 3.05Å; H70-V74 VanDerWaalsContact O-N 3.16Å |
| 71 | E | 77.2 | Confident | 85 | Confident | 60 Ų | 60 | 29.2 Ų | 29.2 | 28% | 0.28 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -55.6 | -47.3 | -171.2 | -63.2 | 176.6 | 160.2 | 0 | 0 | 113.3 | A73 V74 L75 Y620 M629 | E71-A73 VanDerWaalsContact C-N 3.34Å; E71-A73 PolarHBondContact O-N 2.85Å; E71-V74 PolarHBondContact O-N 3.36Å; E71-L75 WeakPolarHBondContact O-CB 3.45Å; E71-L75 PolarHBondContact O-N 3.01Å; E71-Y620 HydrophobicContact CB-CD2 4.48Å; E71-Y620 HydrophobicContact CB-CE2 3.88Å; E71-Y620 HydrophobicContact CG-CE2 4.06Å; E71-Y620 PolarHBondContact OE1-OH 2.57Å; E71-Y620 VanDerWaalsContact OE2-CE2 3.24Å; E71-Y620 WeakPolarHBondContact OE2-CE2 3.36Å; E71-Y620 PolarHBondContact OE2-OH 2.98Å; E71-M629 HydrophobicContact CB-CE 4.34Å; E71-M629 HydrophobicContact CG-CE 3.85Å; E71-M629 HydrophobicContact CG-CG 4.47Å; E71-M629 HydrophobicContact CG-SD 4.32Å |
| 72 | A | 80 | Confident | 85.1 | Confident | 6 Ų | 6 | 25.5 Ų | 25.5 | 5% | 0.05 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.7 | -32.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | W7 G17 A18 H70 R76 | W7-A72 HydrophobicContact CE3-CB 4.07Å; W7-A72 HydrophobicContact CH2-CB 4.3Å; W7-A72 HydrophobicContact CZ3-CB 3.67Å; G17-A72 VanDerWaalsContact O-CB 3.25Å; G17-A72 WeakPolarHBondContact O-CB 3.09Å; A18-A72 HydrophobicContact CB-CB 4.45Å; A18-A72 WeakPolarHBondContact O-CB 3.49Å; H70-A72 PolarHBondContact O-N 3.02Å; A72-R76 WeakPolarHBondContact O-CB 3.44Å; A72-R76 PolarHBondContact O-N 3.35Å |
| 73 | A | 84.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.5 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W7 D68 H70 E71 R76 N77 | W7-A73 HydrophobicContact CH2-CB 4.13Å; W7-A73 HydrophobicContact CZ2-CB 3.77Å; D68-A73 HydrophobicContact CB-CB 3.86Å; D68-A73 WeakPolarHBondContact O-CB 3.49Å; H70-A73 PolarHBondContact ND1-N 3.45Å; H70-A73 WeakPolarHBondContact O-CB 3.46Å; H70-A73 PolarHBondContact O-N 3.48Å; H70-A73 VanDerWaalsContact O-N 3.08Å; E71-A73 VanDerWaalsContact C-N 3.34Å; E71-A73 PolarHBondContact O-N 2.85Å; A73-R76 PolarHBondContact O-N 3.14Å; A73-N77 WeakPolarHBondContact O-CB 3.48Å; A73-N77 PolarHBondContact O-N 2.93Å |
| 74 | V | 86.9 | Confident | 85.4 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61 | -49 | 173.3 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | M63 L66 H70 E71 N77 L78 L623 M629 I632 | M63-V74 HydrophobicContact CE-CB 4.38Å; M63-V74 HydrophobicContact CE-CG1 3.54Å; M63-V74 HydrophobicContact SD-CG1 4.34Å; L66-V74 HydrophobicContact CD1-CG2 4.3Å; H70-V74 PolarHBondContact O-N 3.05Å; H70-V74 VanDerWaalsContact O-N 3.16Å; E71-V74 PolarHBondContact O-N 3.36Å; V74-N77 PolarHBondContact O-N 2.96Å; V74-L78 PolarHBondContact O-N 3.17Å; V74-L623 HydrophobicContact CG1-CD1 4.01Å; V74-L623 HydrophobicContact CG1-CD2 4.2Å; V74-M629 HydrophobicContact CB-CE 4.32Å; V74-M629 HydrophobicContact CB-SD 3.86Å; V74-M629 HydrophobicContact CG1-SD 3.77Å; V74-M629 HydrophobicContact CG2-CE 3.82Å; V74-M629 HydrophobicContact CG2-SD 3.86Å; V74-I632 HydrophobicContact CG1-CD1 4.14Å; V74-I632 HydrophobicContact CG2-CD1 4.35Å |
| 75 | L | 87.8 | Confident | 85.8 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | 179.8 | -172.7 | 66.3 | 0 | 0 | 0 | 112.3 | A16 E71 L78 A79 F614 R616 C619 L623 | A16-L75 HydrophobicContact CB-CD2 3.82Å; E71-L75 WeakPolarHBondContact O-CB 3.45Å; E71-L75 PolarHBondContact O-N 3.01Å; L75-L78 PolarHBondContact O-N 3.22Å; L75-A79 WeakPolarHBondContact O-CB 3.39Å; L75-A79 PolarHBondContact O-N 3.09Å; L75-F614 HydrophobicContact CD1-CE1 3.99Å; L75-F614 HydrophobicContact CD1-CZ 4.12Å; L75-R616 HydrophobicContact CD2-CB 3.98Å; L75-R616 HydrophobicContact CD2-CG 4.17Å; L75-R616 HydrophobicContact CG-CG 4.47Å; L75-C619 HydrophobicContact CD1-CB 3.71Å; L75-L623 HydrophobicContact CD1-CD1 4.02Å |
| 76 | R | 88 | Confident | 86.3 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 6% | 0.057 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.8 | -42.7 | 177.2 | -171.7 | 177.2 | -163.1 | -78.2 | -10.7 | 111.9 | W7 D36 S56 V57 A72 A73 L78 A79 V80 | W7-R76 HydrophobicContact CH2-CB 3.88Å; W7-R76 HydrophobicContact CH2-CG 4.33Å; W7-R76 HydrophobicContact CZ3-CB 4.41Å; D36-R76 VanDerWaalsContact CG-NE 3.35Å; D36-R76 IonicContact OD1-CZ 2.61Å; D36-R76 IonicContact OD1-NE 2.69Å; D36-R76 PolarHBondContact OD1-NE 3.15Å; D36-R76 VanDerWaalsContact OD1-NE 3.13Å; D36-R76 IonicContact OD1-NH2 3.47Å; D36-R76 PolarHBondContact OD1-NH2 3.01Å; D36-R76 VanDerWaalsContact OD2-CD 3.31Å; D36-R76 WeakPolarHBondContact OD2-CD 3.24Å; D36-R76 IonicContact OD2-CZ 3.67Å; D36-R76 IonicContact OD2-NE 2.63Å; D36-R76 PolarHBondContact OD2-NE 3.29Å; D36-R76 IonicContact OD2-NH2 3.12Å; S56-R76 PolarHBondContact O-NH1 3.01Å; V57-R76 PolarHBondContact O-NH1 3.05Å; A72-R76 WeakPolarHBondContact O-CB 3.44Å; A72-R76 PolarHBondContact O-N 3.35Å; A73-R76 PolarHBondContact O-N 3.14Å; R76-L78 VanDerWaalsContact C-N 3.3Å; R76-L78 PolarHBondContact O-N 3.41Å; R76-A79 PolarHBondContact O-N 3.1Å; R76-V80 HydrophobicContact CG-CG2 4.14Å; R76-V80 WeakPolarHBondContact O-CG2 3.3Å; R76-V80 PolarHBondContact O-N 3.35Å |
| 77 | N | 91.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.4 | -43.7 | 176.3 | -174.2 | 33.7 | 0 | 0 | 0 | 111.5 | G59 V60 M63 L66 A73 V74 R81 | G59-N77 WeakPolarHBondContact CA-OD1 3.42Å; V60-N77 PolarHBondContact N-OD1 3.3Å; V60-N77 PolarHBondContact O-ND2 3.03Å; V60-N77 VanDerWaalsContact O-ND2 3.08Å; V60-N77 PolarHBondContact O-OD1 3.15Å; M63-N77 HydrophobicContact SD-CB 4.24Å; M63-N77 PolarHBondContact SD-ND2 3.29Å; L66-N77 HydrophobicContact CD1-CB 4.08Å; L66-N77 HydrophobicContact CD2-CB 4.48Å; A73-N77 WeakPolarHBondContact O-CB 3.48Å; A73-N77 PolarHBondContact O-N 2.93Å; V74-N77 PolarHBondContact O-N 2.96Å; N77-R81 WeakPolarHBondContact O-CB 3.42Å; N77-R81 VanDerWaalsContact O-CG 3.25Å; N77-R81 WeakPolarHBondContact O-CG 3.47Å; N77-R81 PolarHBondContact O-N 3.26Å; N77-R81 VanDerWaalsContact O-N 3.1Å; N77-R81 WeakPolarHBondContact OD1-CD 3.26Å |
| 78 | L | 92 | Very high | 87.6 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.8 | -42 | 174.9 | -66.6 | -178.2 | 0 | 0 | 0 | 112.7 | M63 V74 L75 R76 F82 T89 I96 V98 I603 F614 L623 | M63-L78 HydrophobicContact CE-CD1 3.95Å; M63-L78 HydrophobicContact CE-CD2 3.69Å; M63-L78 HydrophobicContact CE-CG 3.54Å; V74-L78 PolarHBondContact O-N 3.17Å; L75-L78 PolarHBondContact O-N 3.22Å; R76-L78 VanDerWaalsContact C-N 3.3Å; R76-L78 PolarHBondContact O-N 3.41Å; L78-F82 WeakPolarHBondContact O-CB 3.46Å; L78-F82 PolarHBondContact O-N 2.97Å; L78-T89 HydrophobicContact CD2-CG2 4.44Å; L78-I96 HydrophobicContact CD1-CG2 4.16Å; L78-I96 HydrophobicContact CD2-CG2 4Å; L78-V98 HydrophobicContact CD2-CG2 4.4Å; L78-I603 HydrophobicContact CD1-CD1 3.89Å; L78-F614 HydrophobicContact CB-CE2 4.2Å; L78-F614 HydrophobicContact CB-CZ 4.03Å; L78-L623 HydrophobicContact CD1-CD1 4.31Å; L78-L623 HydrophobicContact CD1-CD2 3.95Å |
| 79 | A | 89.5 | Confident | 88.4 | Confident | 18 Ų | 18 | 32.8 Ų | 32.8 | 15% | 0.149 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.5 | -46.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | L75 R76 F82 S83 F614 | L75-A79 WeakPolarHBondContact O-CB 3.39Å; L75-A79 PolarHBondContact O-N 3.09Å; R76-A79 PolarHBondContact O-N 3.1Å; A79-F82 PolarHBondContact O-N 3.42Å; A79-S83 PolarHBondContact O-N 2.9Å; A79-F614 HydrophobicContact CB-CD1 3.87Å; A79-F614 HydrophobicContact CB-CE1 3.7Å; A79-F614 HydrophobicContact CB-CG 4.43Å; A79-F614 HydrophobicContact CB-CZ 4.12Å |
| 80 | V | 89.2 | Confident | 89.1 | Confident | 29 Ų | 29 | 30.8 Ų | 30.8 | 18% | 0.176 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -54.3 | 178 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | R76 F82 S83 E84 | R76-V80 HydrophobicContact CG-CG2 4.14Å; R76-V80 WeakPolarHBondContact O-CG2 3.3Å; R76-V80 PolarHBondContact O-N 3.35Å; V80-F82 VanDerWaalsContact C-N 3.3Å; V80-F82 PolarHBondContact O-N 3Å; V80-S83 PolarHBondContact O-N 3.09Å; V80-S83 VanDerWaalsContact O-N 3.13Å; V80-S83 PolarHBondContact O-OG 3.12Å; V80-E84 PolarHBondContact O-N 3.41Å; V80-E84 VanDerWaalsContact O-N 3.14Å |
| 81 | R | 93.8 | Very high | 89.5 | Confident | 16 Ų | 16 | 27.9 Ų | 27.9 | 6% | 0.06 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.8 | -39.7 | 179.1 | -68.8 | 178.9 | 63.4 | 74.7 | 0.6 | 112.2 | V60 N77 E84 K85 M86 Y88 T89 | V60-R81 WeakPolarHBondContact O-CD 3.38Å; N77-R81 WeakPolarHBondContact O-CB 3.42Å; N77-R81 VanDerWaalsContact O-CG 3.25Å; N77-R81 WeakPolarHBondContact O-CG 3.47Å; N77-R81 PolarHBondContact O-N 3.26Å; N77-R81 VanDerWaalsContact O-N 3.1Å; N77-R81 WeakPolarHBondContact OD1-CD 3.26Å; R81-E84 PolarHBondContact O-N 3.22Å; R81-K85 PolarHBondContact O-N 3.41Å; R81-M86 HydrophobicContact CB-CB 4.14Å; R81-M86 CarbonylContact O-C 3.55Å; R81-M86 WeakPolarHBondContact O-CA 3.36Å; R81-M86 WeakPolarHBondContact O-CB 3.15Å; R81-M86 PolarHBondContact O-N 2.95Å; R81-Y88 PolarHBondContact NE-O 3.37Å; R81-Y88 PolarHBondContact NH2-O 2.94Å; R81-T89 WeakPolarHBondContact CD-OG1 3.47Å; R81-T89 PolarHBondContact NE-OG1 3.03Å |
| 82 | F | 92.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.5 | -41.5 | 176.6 | -174.1 | -103.8 | 0 | 0 | 0 | 112.3 | L78 A79 V80 E84 K85 I87 V98 P605 M612 F614 | L78-F82 WeakPolarHBondContact O-CB 3.46Å; L78-F82 PolarHBondContact O-N 2.97Å; A79-F82 PolarHBondContact O-N 3.42Å; V80-F82 VanDerWaalsContact C-N 3.3Å; V80-F82 PolarHBondContact O-N 3Å; F82-E84 VanDerWaalsContact C-N 3.28Å; F82-E84 PolarHBondContact O-N 2.91Å; F82-K85 WeakPolarHBondContact O-CA 3.35Å; F82-K85 PolarHBondContact O-N 3.03Å; F82-I87 HydrophobicContact CD2-CG2 4.07Å; F82-I87 HydrophobicContact CE2-CG2 4.21Å; F82-V98 HydrophobicContact CD2-CB 3.75Å; F82-V98 HydrophobicContact CD2-CG1 3.48Å; F82-V98 VanDerWaalsContact CD2-CG1 3.48Å; F82-V98 HydrophobicContact CE2-CB 4.07Å; F82-V98 HydrophobicContact CE2-CG1 3.55Å; F82-V98 HydrophobicContact CG-CG1 4.19Å; F82-V98 HydrophobicContact CZ-CG1 4.3Å; F82-P605 HydrophobicContact CE1-CB 4.18Å; F82-P605 HydrophobicContact CE1-CG 4.47Å; F82-P605 HydrophobicContact CE2-CB 4.43Å; F82-P605 HydrophobicContact CE2-CG 4.32Å; F82-P605 HydrophobicContact CZ-CB 3.89Å; F82-P605 HydrophobicContact CZ-CG 3.78Å; F82-M612 VanDerWaalsContact CE1-C 3.49Å; F82-M612 WeakPolarHBondContact CE1-O 3.37Å; F82-M612 WeakPolarHBondContact O-CE 3.37Å; F82-F614 HydrophobicContact CB-CD2 4.03Å; F82-F614 HydrophobicContact CB-CE2 4.41Å; F82-F614 HydrophobicContact CD1-CB 3.78Å; F82-F614 AromaticContact CD1-CD2 3.69Å; F82-F614 HydrophobicContact CD1-CD2 3.69Å; F82-F614 HydrophobicContact CD1-CG 4.2Å; F82-F614 HydrophobicContact CE1-CB 4Å; F82-F614 HydrophobicContact CE1-CD2 4.23Å; F82-F614 AromaticContact CG-CD2 3.89Å; F82-F614 HydrophobicContact CG-CD2 3.89Å |
| 83 | S | 89.5 | Confident | 89.6 | Confident | 82 Ų | 82 | 26.7 Ų | 26.7 | 57% | 0.573 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -62.2 | -34.6 | 175.7 | 75.7 | 0 | 0 | 0 | 0 | 112.8 | A79 V80 K85 | A79-S83 PolarHBondContact O-N 2.9Å; V80-S83 PolarHBondContact O-N 3.09Å; V80-S83 VanDerWaalsContact O-N 3.13Å; V80-S83 PolarHBondContact O-OG 3.12Å; S83-K85 PolarHBondContact O-N 3.3Å |
| 84 | E | 90.8 | Very high | 89.6 | Confident | 124 Ų | 124 | 26.9 Ų | 26.9 | 58% | 0.579 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 3.2 | 172.7 | -64.6 | -172.2 | 157.8 | 0 | 0 | 113.9 | V80 R81 F82 M86 | V80-E84 PolarHBondContact O-N 3.41Å; V80-E84 VanDerWaalsContact O-N 3.14Å; R81-E84 PolarHBondContact O-N 3.22Å; F82-E84 VanDerWaalsContact C-N 3.28Å; F82-E84 PolarHBondContact O-N 2.91Å; E84-M86 HydrophobicContact CB-CG 4.35Å; E84-M86 PolarHBondContact O-N 3.35Å |
| 85 | K | 91.5 | Very high | 89.9 | Confident | 127 Ų | 127 | 26.8 Ų | 26.8 | 55% | 0.552 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 12.1 | -175.6 | -51.3 | 153.5 | -172.5 | 164.6 | 0 | 114.3 | R81 F82 S83 I87 L104 M612 | R81-K85 PolarHBondContact O-N 3.41Å; F82-K85 WeakPolarHBondContact O-CA 3.35Å; F82-K85 PolarHBondContact O-N 3.03Å; S83-K85 PolarHBondContact O-N 3.3Å; K85-I87 VanDerWaalsContact C-N 3.32Å; K85-I87 PolarHBondContact O-N 3Å; K85-I87 VanDerWaalsContact O-N 3.1Å; K85-L104 HydrophobicContact CB-CD1 4.25Å; K85-L104 HydrophobicContact CB-CD2 4.36Å; K85-L104 HydrophobicContact CG-CD2 4.46Å; K85-M612 HydrophobicContact CB-CE 4.25Å; K85-M612 HydrophobicContact CG-CE 3.6Å; K85-M612 HydrophobicContact CG-SD 4.28Å |
| 86 | M | 93.2 | Very high | 90.1 | Very high | 74 Ų | 74 | 26.5 Ų | 26.5 | 37% | 0.365 | 14% | 0.14 | S | C | . | . | trans | -85.4 | 70.4 | 175.3 | -61.8 | -61.8 | -73.8 | 0 | 0 | 110.4 | R81 E84 Y88 | R81-M86 HydrophobicContact CB-CB 4.14Å; R81-M86 CarbonylContact O-C 3.55Å; R81-M86 WeakPolarHBondContact O-CA 3.36Å; R81-M86 WeakPolarHBondContact O-CB 3.15Å; R81-M86 PolarHBondContact O-N 2.95Å; E84-M86 HydrophobicContact CB-CG 4.35Å; E84-M86 PolarHBondContact O-N 3.35Å; M86-Y88 PolarHBondContact O-N 2.73Å; M86-Y88 VanDerWaalsContact O-N 3.07Å | ||
| 87 | I | 94.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | trans | -64.2 | -12.5 | -172 | 62.5 | 166.3 | 0 | 0 | 0 | 116 | F82 K85 V98 P100 L104 I106 Y107 | F82-I87 HydrophobicContact CD2-CG2 4.07Å; F82-I87 HydrophobicContact CE2-CG2 4.21Å; K85-I87 VanDerWaalsContact C-N 3.32Å; K85-I87 PolarHBondContact O-N 3Å; K85-I87 VanDerWaalsContact O-N 3.1Å; I87-V98 WeakPolarHBondContact CB-O 3.44Å; I87-V98 PolarHBondContact O-N 2.88Å; I87-P100 HydrophobicContact CD1-CG 4.13Å; I87-P100 HydrophobicContact CG2-CB 3.94Å; I87-P100 HydrophobicContact CG2-CG 4.17Å; I87-L104 HydrophobicContact CD1-CD1 4.42Å; I87-L104 HydrophobicContact CG2-CD1 3.73Å; I87-I106 HydrophobicContact CD1-CD1 3.94Å; I87-I106 HydrophobicContact CG1-CD1 4.08Å; I87-Y107 WeakPolarHBondContact CD1-OH 3.27Å | ||
| 88 | Y | 96.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 2% | 0.02 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139.5 | -176.2 | -70.6 | -59.1 | 0 | 0 | 0 | 110.9 | R81 M86 L95 I96 S97 I106 Y107 P125 H126 I127 | R81-Y88 PolarHBondContact NE-O 3.37Å; R81-Y88 PolarHBondContact NH2-O 2.94Å; M86-Y88 PolarHBondContact O-N 2.73Å; M86-Y88 VanDerWaalsContact O-N 3.07Å; Y88-L95 HydrophobicContact CD1-CD1 4.3Å; Y88-L95 HydrophobicContact CD1-CD2 3.69Å; Y88-L95 HydrophobicContact CD1-CG 4.01Å; Y88-L95 HydrophobicContact CE1-CD2 3.97Å; Y88-L95 HydrophobicContact CG-CD2 4.43Å; Y88-I96 WeakPolarHBondContact CA-O 3.37Å; Y88-S97 VanDerWaalsContact CE1-OG 3.27Å; Y88-S97 WeakPolarHBondContact CE1-OG 3.45Å; Y88-I106 HydrophobicContact CD2-CD1 4.45Å; Y88-I106 HydrophobicContact CE2-CD1 4.12Å; Y88-Y107 HydrophobicContact CE2-CE1 4.16Å; Y88-Y107 PolarHBondContact OH-OH 3.41Å; Y88-P125 WeakPolarHBondContact CB-O 3.37Å; Y88-P125 WeakPolarHBondContact O-CB 3.41Å; Y88-H126 AromaticContact CD2-CD2 3.44Å; Y88-H126 VanDerWaalsContact CD2-CD2 3.44Å; Y88-H126 WeakPolarHBondContact CD2-CD2 3.37Å; Y88-H126 AromaticContact CD2-NE2 3.98Å; Y88-H126 AromaticContact CE2-CD2 3.48Å; Y88-H126 VanDerWaalsContact CE2-CD2 3.48Å; Y88-H126 WeakPolarHBondContact CE2-CD2 3.3Å; Y88-H126 AromaticContact CE2-NE2 3.54Å; Y88-I127 HydrophobicContact CE1-CB 4.12Å; Y88-I127 HydrophobicContact CE2-CG2 4.3Å; Y88-I127 WeakPolarHBondContact OH-CG2 3.39Å |
| 89 | T | 94.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 134.2 | 177.4 | -51.1 | 0 | 0 | 0 | 0 | 109.1 | E61 M63 L78 R81 I96 | E61-T89 WeakPolarHBondContact O-CG2 3.44Å; M63-T89 HydrophobicContact CG-CG2 4.05Å; M63-T89 HydrophobicContact SD-CG2 4.41Å; L78-T89 HydrophobicContact CD2-CG2 4.44Å; R81-T89 WeakPolarHBondContact CD-OG1 3.47Å; R81-T89 PolarHBondContact NE-OG1 3.03Å; T89-I96 PolarHBondContact N-O 2.87Å; T89-I96 WeakPolarHBondContact O-CB 3.48Å; T89-I96 PolarHBondContact O-N 3.24Å |
| 90 | Y | 90.3 | Very high | 90.7 | Very high | 12 Ų | 12 | 27.1 Ų | 27.1 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 154.5 | 172.8 | -67.2 | -56.2 | 0 | 0 | 0 | 111.4 | E61 N62 M63 I94 L95 I120 L123 P124 P125 A129 I130 | E61-Y90 PolarHBondContact O-N 2.88Å; N62-Y90 CarbonylContact C-O 3.48Å; N62-Y90 WeakPolarHBondContact CA-O 3.38Å; M63-Y90 WeakPolarHBondContact CG-O 3.28Å; M63-Y90 PolarHBondContact N-O 2.79Å; Y90-I94 CarbonylContact C-O 3.54Å; Y90-I94 WeakPolarHBondContact CA-O 3.3Å; Y90-L95 HydrophobicContact CD1-CD1 3.87Å; Y90-L95 HydrophobicContact CE1-CD1 3.94Å; Y90-I120 HydrophobicContact CD1-CG2 4.3Å; Y90-I120 HydrophobicContact CE1-CG2 3.74Å; Y90-L123 PolarHBondContact OH-O 2.82Å; Y90-P124 PolarHBondContact OH-O 3.45Å; Y90-P125 HydrophobicContact CD1-CB 4.49Å; Y90-P125 HydrophobicContact CD2-CB 4.03Å; Y90-P125 HydrophobicContact CD2-CG 3.61Å; Y90-P125 HydrophobicContact CE1-CB 4.49Å; Y90-P125 HydrophobicContact CE2-CB 4.03Å; Y90-P125 HydrophobicContact CE2-CG 3.83Å; Y90-P125 HydrophobicContact CG-CB 4.24Å; Y90-P125 HydrophobicContact CG-CG 4.15Å; Y90-A129 WeakPolarHBondContact OH-CB 3.49Å; Y90-I130 HydrophobicContact CE1-CD1 4.39Å |
| 91 | A | 86.4 | Confident | 90.6 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 82.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | M63 I94 I96 I632 | M63-A91 HydrophobicContact CB-CB 4.13Å; M63-A91 HydrophobicContact CG-CB 4.34Å; A91-I94 HydrophobicContact CB-CB 4.37Å; A91-I94 PolarHBondContact N-O 3.27Å; A91-I94 WeakPolarHBondContact O-CB 3.49Å; A91-I94 PolarHBondContact O-N 3.36Å; A91-I96 HydrophobicContact CB-CD1 4.27Å; A91-I632 HydrophobicContact CB-CD1 4.49Å; A91-I632 HydrophobicContact CB-CG1 3.9Å |
| 92 | S | 80.9 | Confident | 90.3 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | -138.7 | -161 | 169.8 | 0 | 0 | 0 | 0 | 109.2 | N62 I94 R635 D698 | N62-S92 PolarHBondContact OD1-N 3.46Å; S92-I94 PolarHBondContact O-N 2.72Å; S92-R635 PolarHBondContact OG-NH1 3.36Å; S92-R635 VanDerWaalsContact OG-NH1 3.09Å; S92-D698 WeakPolarHBondContact CA-OD2 3.38Å; S92-D698 WeakPolarHBondContact CB-OD2 3.29Å; S92-D698 PolarHBondContact OG-OD1 3.49Å; S92-D698 PolarHBondContact OG-OD2 3.2Å |
| 93 | S | 77.8 | Confident | 89.9 | Confident | 34 Ų | 34 | 44 Ų | 44 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 12.5 | 177.2 | 63.2 | 0 | 0 | 0 | 0 | 116.3 | R635 | S93-R635 PolarHBondContact OG-NH1 3.45Š|
| 94 | I | 85.6 | Confident | 89.8 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 140 | 172.1 | -53.6 | -175.2 | 0 | 0 | 0 | 108.7 | Y90 A91 S92 F599 R601 T631 | Y90-I94 CarbonylContact C-O 3.54Å; Y90-I94 WeakPolarHBondContact CA-O 3.3Å; A91-I94 HydrophobicContact CB-CB 4.37Å; A91-I94 PolarHBondContact N-O 3.27Å; A91-I94 WeakPolarHBondContact O-CB 3.49Å; A91-I94 PolarHBondContact O-N 3.36Å; S92-I94 PolarHBondContact O-N 2.72Å; I94-F599 HydrophobicContact CB-CB 4.47Å; I94-F599 HydrophobicContact CG1-CB 4.14Å; I94-F599 HydrophobicContact CG1-CD2 4.48Å; I94-F599 HydrophobicContact CG2-CB 3.98Å; I94-R601 HydrophobicContact CG2-CG 3.85Å; I94-T631 HydrophobicContact CD1-CG2 3.49Å; I94-T631 VanDerWaalsContact CD1-CG2 3.49Å |
| 95 | L | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 124 | 172.3 | -170.5 | 71.6 | 0 | 0 | 0 | 110.7 | Y88 Y90 P125 I127 I130 F599 V600 R601 | Y88-L95 HydrophobicContact CD1-CD1 4.3Å; Y88-L95 HydrophobicContact CD1-CD2 3.69Å; Y88-L95 HydrophobicContact CD1-CG 4.01Å; Y88-L95 HydrophobicContact CE1-CD2 3.97Å; Y88-L95 HydrophobicContact CG-CD2 4.43Å; Y90-L95 HydrophobicContact CD1-CD1 3.87Å; Y90-L95 HydrophobicContact CE1-CD1 3.94Å; L95-P125 HydrophobicContact CD1-CB 4.01Å; L95-I127 HydrophobicContact CD2-CB 4.13Å; L95-I127 HydrophobicContact CD2-CD1 4.11Å; L95-I130 HydrophobicContact CB-CD1 4.07Å; L95-I130 HydrophobicContact CB-CG1 3.77Å; L95-I130 HydrophobicContact CD2-CG1 3.9Å; L95-I130 HydrophobicContact CG-CG1 4.37Å; L95-F599 PolarHBondContact N-O 3.39Å; L95-V600 HydrophobicContact CB-CG1 4.3Å; L95-V600 HydrophobicContact CB-CG2 4.43Å; L95-V600 HydrophobicContact CD2-CG1 4.38Å; L95-V600 CarbonylContact O-C 3.43Å; L95-V600 VanDerWaalsContact O-CA 3.28Å; L95-V600 WeakPolarHBondContact O-CA 3.32Å; L95-R601 PolarHBondContact O-N 2.84Å |
| 96 | I | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 136.8 | 165.8 | -56.5 | 171.9 | 0 | 0 | 0 | 107.8 | M63 L78 Y88 T89 A91 R601 I603 L628 | M63-I96 HydrophobicContact CE-CD1 3.78Å; M63-I96 HydrophobicContact CG-CD1 4.05Å; L78-I96 HydrophobicContact CD1-CG2 4.16Å; L78-I96 HydrophobicContact CD2-CG2 4Å; Y88-I96 WeakPolarHBondContact CA-O 3.37Å; T89-I96 PolarHBondContact N-O 2.87Å; T89-I96 WeakPolarHBondContact O-CB 3.48Å; T89-I96 PolarHBondContact O-N 3.24Å; A91-I96 HydrophobicContact CB-CD1 4.27Å; I96-R601 CarbonylContact C-O 3.52Å; I96-R601 WeakPolarHBondContact CA-O 3.4Å; I96-I603 HydrophobicContact CG2-CD1 3.68Å; I96-I603 HydrophobicContact CG2-CG1 4.38Å; I96-L628 HydrophobicContact CD1-CD1 4.15Å; I96-L628 HydrophobicContact CD1-CD2 4.03Å; I96-L628 HydrophobicContact CG1-CD1 4.13Å; I96-L628 HydrophobicContact CG1-CD2 4.06Å |
| 97 | S | 94.6 | Very high | 89.2 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 108.8 | -176.4 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | Y88 R601 C602 I603 | Y88-S97 VanDerWaalsContact CE1-OG 3.27Å; Y88-S97 WeakPolarHBondContact CE1-OG 3.45Å; S97-R601 PolarHBondContact N-O 3.3Å; S97-C602 CarbonylContact O-C 3.57Å; S97-C602 VanDerWaalsContact O-CA 3.3Å; S97-C602 WeakPolarHBondContact O-CA 3.49Å; S97-I603 PolarHBondContact O-N 2.86Å |
| 98 | V | 94.5 | Very high | 88.7 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 117.3 | 179.4 | -171 | 0 | 0 | 0 | 0 | 109.4 | L78 F82 I87 P100 I603 P605 F614 | L78-V98 HydrophobicContact CD2-CG2 4.4Å; F82-V98 HydrophobicContact CD2-CB 3.75Å; F82-V98 HydrophobicContact CD2-CG1 3.48Å; F82-V98 VanDerWaalsContact CD2-CG1 3.48Å; F82-V98 HydrophobicContact CE2-CB 4.07Å; F82-V98 HydrophobicContact CE2-CG1 3.55Å; F82-V98 HydrophobicContact CG-CG1 4.19Å; F82-V98 HydrophobicContact CZ-CG1 4.3Å; I87-V98 WeakPolarHBondContact CB-O 3.44Å; I87-V98 PolarHBondContact O-N 2.88Å; V98-P100 VanDerWaalsContact O-CD 3.27Å; V98-P100 WeakPolarHBondContact O-CD 3.5Å; V98-I603 HydrophobicContact CG2-CB 4.42Å; V98-P605 HydrophobicContact CG1-CB 3.8Å; V98-P605 HydrophobicContact CG1-CG 4.26Å; V98-F614 HydrophobicContact CG1-CD2 4.28Å; V98-F614 HydrophobicContact CG1-CE2 4.15Å |
| 99 | N | 91.6 | Very high | 87.8 | Confident | 29 Ų | 29 | 40.3 Ų | 40.3 | 16% | 0.155 | 21% | 0.209 | C | C | . | . | trans | -64.9 | 114.3 | -172.5 | -179.3 | 1.7 | 0 | 0 | 0 | 112.2 | Y101 G154 I603 P605 | N99-Y101 WeakPolarHBondContact ND2-CE1 3.12Å; N99-Y101 PolarHBondContact O-N 3.01Å; N99-Y101 PolarHBondContact OD1-N 3.08Å; N99-G154 PolarHBondContact ND2-O 3.33Å; N99-I603 PolarHBondContact N-O 3.39Å; N99-P605 VanDerWaalsContact O-CD 3.24Å; N99-P605 WeakPolarHBondContact O-CD 3.35Å; N99-P605 WeakPolarHBondContact O-CG 3.47Å | ||
| 100 | P | 92.2 | Very high | 87 | Confident | 12 Ų | 12 | 45 Ų | 45 | 8% | 0.078 | 23% | 0.234 | C | C | . | . | trans | -69.8 | -13.4 | -178.2 | 27.3 | -34.9 | 0 | 0 | 0 | 115.2 | I87 V98 R102 L104 P611 M612 | I87-P100 HydrophobicContact CD1-CG 4.13Å; I87-P100 HydrophobicContact CG2-CB 3.94Å; I87-P100 HydrophobicContact CG2-CG 4.17Å; V98-P100 VanDerWaalsContact O-CD 3.27Å; V98-P100 WeakPolarHBondContact O-CD 3.5Å; P100-R102 VanDerWaalsContact CG-O 3.27Å; P100-R102 WeakPolarHBondContact CG-O 3.33Å; P100-R102 PolarHBondContact O-N 2.91Å; P100-R102 VanDerWaalsContact O-N 3.08Å; P100-L104 HydrophobicContact CB-CD1 4.02Å; P100-L104 HydrophobicContact CB-CG 4.33Å; P100-L104 HydrophobicContact CG-CD1 4.16Å; P100-L104 HydrophobicContact CG-CG 4.39Å; P100-P611 WeakPolarHBondContact O-CA 3.48Å; P100-M612 HydrophobicContact CB-SD 4.31Å; P100-M612 PolarHBondContact O-N 3.5Å | ||
| 101 | Y | 87.2 | Confident | 86.7 | Confident | 54 Ų | 54 | 46.6 Ų | 46.6 | 21% | 0.212 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 52.1 | 21.2 | -166.8 | -69.2 | -65.2 | 0 | 0 | 0 | 114.9 | N99 G154 K604 P605 K609 | N99-Y101 WeakPolarHBondContact ND2-CE1 3.12Å; N99-Y101 PolarHBondContact O-N 3.01Å; N99-Y101 PolarHBondContact OD1-N 3.08Å; Y101-G154 PolarHBondContact OH-O 2.66Å; Y101-K604 WeakPolarHBondContact OH-CE 3.4Å; Y101-K604 WeakPolarHBondContact OH-CG 3.37Å; Y101-P605 HydrophobicContact CD2-CG 4.12Å; Y101-P605 HydrophobicContact CE2-CG 4.07Å; Y101-K609 WeakPolarHBondContact CB-O 3.4Å; Y101-K609 HydrophobicContact CD1-CB 3.94Å; Y101-K609 HydrophobicContact CE1-CB 3.83Å; Y101-K609 HydrophobicContact CE1-CG 4.06Å; Y101-K609 HydrophobicContact CE2-CB 4.49Å; Y101-K609 HydrophobicContact CG-CB 4.33Å |
| 102 | R | 87.4 | Confident | 86.5 | Confident | 173 Ų | 173 | 47 Ų | 47 | 65% | 0.653 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -151.2 | 144.3 | 177.1 | -178.1 | 176.3 | 174.5 | 160.8 | 3.5 | 110 | P100 L104 P611 | P100-R102 VanDerWaalsContact CG-O 3.27Å; P100-R102 WeakPolarHBondContact CG-O 3.33Å; P100-R102 PolarHBondContact O-N 2.91Å; P100-R102 VanDerWaalsContact O-N 3.08Å; R102-L104 PolarHBondContact O-N 3.48Å; R102-P611 HydrophobicContact CB-CB 3.99Å |
| 103 | Q | 83.4 | Confident | 86.4 | Confident | 175 Ų | 175 | 54.7 Ų | 54.7 | 82% | 0.818 | 27% | 0.273 | S | S | * | . | trans | -65.2 | 127.3 | 169.4 | -69.6 | -171.9 | 2 | 0 | 0 | 110.9 | ||||
| 104 | L | 87.6 | Confident | 86.9 | Confident | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | trans | -107.5 | 147.7 | 173.6 | -62.7 | 177.1 | 0 | 0 | 0 | 109.4 | K85 I87 P100 R102 I106 | K85-L104 HydrophobicContact CB-CD1 4.25Å; K85-L104 HydrophobicContact CB-CD2 4.36Å; K85-L104 HydrophobicContact CG-CD2 4.46Å; I87-L104 HydrophobicContact CD1-CD1 4.42Å; I87-L104 HydrophobicContact CG2-CD1 3.73Å; P100-L104 HydrophobicContact CB-CD1 4.02Å; P100-L104 HydrophobicContact CB-CG 4.33Å; P100-L104 HydrophobicContact CG-CD1 4.16Å; P100-L104 HydrophobicContact CG-CG 4.39Å; R102-L104 PolarHBondContact O-N 3.48Å; L104-I106 HydrophobicContact CB-CD1 4.2Å; L104-I106 HydrophobicContact CB-CG1 4.08Å; L104-I106 HydrophobicContact CB-CG2 4.48Å; L104-I106 HydrophobicContact CD1-CD1 4.41Å; L104-I106 PolarHBondContact O-N 2.98Å | ||
| 105 | P | 86.3 | Confident | 87.1 | Confident | 112 Ų | 112 | 57.3 Ų | 57.3 | 73% | 0.727 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 36.4 | -175.8 | 33.5 | -37.7 | 0 | 0 | 0 | 113.8 | ||
| 106 | I | 89.3 | Confident | 86.7 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 21% | 0.205 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -7.8 | -176.8 | 62.9 | -179.6 | 0 | 0 | 0 | 113.1 | I87 Y88 L104 L111 | I87-I106 HydrophobicContact CD1-CD1 3.94Å; I87-I106 HydrophobicContact CG1-CD1 4.08Å; Y88-I106 HydrophobicContact CD2-CD1 4.45Å; Y88-I106 HydrophobicContact CE2-CD1 4.12Å; L104-I106 HydrophobicContact CB-CD1 4.2Å; L104-I106 HydrophobicContact CB-CG1 4.08Å; L104-I106 HydrophobicContact CB-CG2 4.48Å; L104-I106 HydrophobicContact CD1-CD1 4.41Å; L104-I106 PolarHBondContact O-N 2.98Å; I106-L111 WeakPolarHBondContact O-CD2 3.49Å |
| 107 | Y | 88.2 | Confident | 86 | Confident | 51 Ų | 51 | 65 Ų | 65 | 20% | 0.2 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -100.8 | 28.9 | -178.5 | -50 | -55.7 | 0 | 0 | 0 | 113.5 | I87 Y88 H126 I127 F128 L163 | I87-Y107 WeakPolarHBondContact CD1-OH 3.27Å; Y88-Y107 HydrophobicContact CE2-CE1 4.16Å; Y88-Y107 PolarHBondContact OH-OH 3.41Å; Y107-H126 AromaticContact CD1-CE1 3.76Å; Y107-H126 AromaticContact CD1-NE2 3.92Å; Y107-H126 AromaticContact CE1-CE1 3.82Å; Y107-H126 AromaticContact CE1-NE2 3.69Å; Y107-I127 HydrophobicContact CE1-CG2 4.46Å; Y107-F128 HydrophobicContact CD1-CE1 4.44Å; Y107-F128 HydrophobicContact CD1-CE2 4.49Å; Y107-F128 AromaticContact CD1-CZ 3.88Å; Y107-F128 HydrophobicContact CD1-CZ 3.88Å; Y107-L163 HydrophobicContact CD1-CD1 4.04Å; Y107-L163 HydrophobicContact CD1-CD2 3.54Å; Y107-L163 HydrophobicContact CD1-CG 4.39Å; Y107-L163 HydrophobicContact CD2-CD2 4.03Å; Y107-L163 HydrophobicContact CE1-CD1 3.5Å; Y107-L163 HydrophobicContact CE1-CD2 3.94Å; Y107-L163 HydrophobicContact CE1-CG 4.32Å; Y107-L163 HydrophobicContact CE2-CD1 4.06Å; Y107-L163 HydrophobicContact CE2-CD2 4.37Å; Y107-L163 HydrophobicContact CG-CD2 3.58Å |
| 108 | T | 83.5 | Confident | 85.4 | Confident | 59 Ų | 59 | 69.3 Ų | 69.3 | 36% | 0.362 | 35% | 0.345 | S | S | . | . | trans | -76.6 | 156.4 | -174.4 | 63.9 | 0 | 0 | 0 | 0 | 113 | D110 L111 L112 | T108-D110 PolarHBondContact O-N 2.97Å; T108-D110 VanDerWaalsContact O-N 3.12Å; T108-L111 PolarHBondContact O-N 2.83Å; T108-L111 WeakPolarHBondContact OG1-CD1 3.43Å; T108-L111 PolarHBondContact OG1-N 2.88Å; T108-L112 PolarHBondContact O-N 2.83Å | ||
| 109 | A | 76.4 | Confident | 84.4 | Confident | 56 Ų | 56 | 73 Ų | 73 | 46% | 0.463 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.7 | -25.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | R113 | A109-R113 WeakPolarHBondContact O-CD 3.48Å; A109-R113 VanDerWaalsContact O-CG 3.28Å; A109-R113 WeakPolarHBondContact O-CG 3.29Å; A109-R113 PolarHBondContact O-N 3.47Å |
| 110 | D | 78.7 | Confident | 84 | Confident | 100 Ų | 100 | 73.7 Ų | 73.7 | 54% | 0.535 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -82.9 | -30.3 | 176.6 | -63.2 | -56.4 | 0 | 0 | 0 | 113 | T108 R113 L114 | T108-D110 PolarHBondContact O-N 2.97Å; T108-D110 VanDerWaalsContact O-N 3.12Å; D110-R113 PolarHBondContact O-N 3.25Å; D110-R113 WeakPolarHBondContact OD1-CD 3.4Å; D110-R113 IonicContact OD1-CZ 3.53Å; D110-R113 IonicContact OD1-NE 2.74Å; D110-R113 IonicContact OD1-NH1 3.47Å; D110-R113 PolarHBondContact OD1-NH1 3.47Å; D110-L114 VanDerWaalsContact O-CB 3.29Å; D110-L114 WeakPolarHBondContact O-CB 3.48Å; D110-L114 PolarHBondContact O-N 3.34Å |
| 111 | L | 83.3 | Confident | 83.2 | Confident | 45 Ų | 45 | 75 Ų | 75 | 24% | 0.236 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 164.1 | -95.7 | 96.9 | 0 | 0 | 0 | 111.5 | I106 T108 R113 L114 Y115 F128 | I106-L111 WeakPolarHBondContact O-CD2 3.49Å; T108-L111 PolarHBondContact O-N 2.83Å; T108-L111 WeakPolarHBondContact OG1-CD1 3.43Å; T108-L111 PolarHBondContact OG1-N 2.88Å; L111-R113 PolarHBondContact O-N 3.17Å; L111-L114 PolarHBondContact O-N 2.75Å; L111-L114 VanDerWaalsContact O-N 3.13Å; L111-Y115 HydrophobicContact CD2-CD2 4.45Å; L111-Y115 HydrophobicContact CD2-CE2 3.79Å; L111-Y115 HydrophobicContact CG-CE2 4.35Å; L111-Y115 WeakPolarHBondContact O-CD2 3.25Å; L111-Y115 PolarHBondContact O-N 2.84Å; L111-Y115 VanDerWaalsContact O-N 3.08Å; L111-F128 HydrophobicContact CB-CD2 4.39Å; L111-F128 HydrophobicContact CB-CE2 4.17Å |
| 112 | L | 82 | Confident | 82.8 | Confident | 10 Ų | 10 | 75.1 Ų | 75.1 | 5% | 0.052 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55.5 | -40.3 | 173.8 | -64.2 | 178.5 | 0 | 0 | 0 | 111.8 | T108 F128 Y167 V170 | T108-L112 PolarHBondContact O-N 2.83Å; L112-F128 HydrophobicContact CD2-CD1 4.11Å; L112-F128 HydrophobicContact CD2-CD2 3.94Å; L112-F128 HydrophobicContact CD2-CE1 3.66Å; L112-F128 HydrophobicContact CD2-CE2 3.49Å; L112-F128 VanDerWaalsContact CD2-CE2 3.49Å; L112-F128 HydrophobicContact CD2-CG 4.26Å; L112-F128 HydrophobicContact CD2-CZ 3.33Å; L112-F128 HydrophobicContact CG-CE2 4.18Å; L112-F128 HydrophobicContact CG-CZ 4.26Å; L112-Y167 HydrophobicContact CD2-CD2 3.58Å; L112-Y167 HydrophobicContact CD2-CE2 4.35Å; L112-Y167 HydrophobicContact CD2-CG 4.39Å; L112-V170 HydrophobicContact CB-CG1 4.12Å; L112-V170 HydrophobicContact CD1-CB 4.04Å; L112-V170 HydrophobicContact CD1-CG1 4.02Å; L112-V170 HydrophobicContact CD1-CG2 3.88Å |
| 113 | R | 80.2 | Confident | 82.8 | Confident | 168 Ų | 168 | 68.5 Ų | 68.5 | 63% | 0.634 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -71.2 | -40.9 | 174.9 | -69.7 | 162.3 | 178.5 | 166.8 | -1.8 | 112.9 | A109 D110 L111 R116 | A109-R113 WeakPolarHBondContact O-CD 3.48Å; A109-R113 VanDerWaalsContact O-CG 3.28Å; A109-R113 WeakPolarHBondContact O-CG 3.29Å; A109-R113 PolarHBondContact O-N 3.47Å; D110-R113 PolarHBondContact O-N 3.25Å; D110-R113 WeakPolarHBondContact OD1-CD 3.4Å; D110-R113 IonicContact OD1-CZ 3.53Å; D110-R113 IonicContact OD1-NE 2.74Å; D110-R113 IonicContact OD1-NH1 3.47Å; D110-R113 PolarHBondContact OD1-NH1 3.47Å; L111-R113 PolarHBondContact O-N 3.17Å; R113-R116 WeakPolarHBondContact O-CB 3.4Å; R113-R116 PolarHBondContact O-N 2.79Å |
| 114 | L | 87.1 | Confident | 83.1 | Confident | 82 Ų | 82 | 62.6 Ų | 62.6 | 43% | 0.429 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | -176.4 | 179.2 | 60.8 | 0 | 0 | 0 | 112.5 | D110 L111 R116 R118 L123 | D110-L114 VanDerWaalsContact O-CB 3.29Å; D110-L114 WeakPolarHBondContact O-CB 3.48Å; D110-L114 PolarHBondContact O-N 3.34Å; L111-L114 PolarHBondContact O-N 2.75Å; L111-L114 VanDerWaalsContact O-N 3.13Å; L114-R116 VanDerWaalsContact C-N 3.31Å; L114-R118 WeakPolarHBondContact O-CG 3.41Å; L114-R118 PolarHBondContact O-NH1 3.2Å; L114-L123 HydrophobicContact CG-CD1 3.94Å |
| 115 | Y | 89.5 | Confident | 83.4 | Confident | 11 Ų | 11 | 62 Ų | 62 | 4% | 0.043 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -76.2 | -15.7 | 178.5 | -78.1 | -101.4 | 0 | 0 | 0 | 113.2 | L111 G117 R118 L123 P124 H126 F128 A129 Y167 | L111-Y115 HydrophobicContact CD2-CD2 4.45Å; L111-Y115 HydrophobicContact CD2-CE2 3.79Å; L111-Y115 HydrophobicContact CG-CE2 4.35Å; L111-Y115 WeakPolarHBondContact O-CD2 3.25Å; L111-Y115 PolarHBondContact O-N 2.84Å; L111-Y115 VanDerWaalsContact O-N 3.08Å; Y115-G117 PolarHBondContact O-N 2.94Å; Y115-R118 WeakPolarHBondContact O-CB 3.44Å; Y115-R118 PolarHBondContact O-N 3.37Å; Y115-R118 VanDerWaalsContact O-N 3.12Å; Y115-L123 HydrophobicContact CD1-CB 4.23Å; Y115-L123 HydrophobicContact CD1-CD1 3.75Å; Y115-L123 HydrophobicContact CD2-CD1 3.82Å; Y115-L123 HydrophobicContact CE1-CB 3.62Å; Y115-L123 HydrophobicContact CE1-CD1 3.83Å; Y115-L123 HydrophobicContact CE1-CG 4.41Å; Y115-L123 HydrophobicContact CE2-CD1 3.9Å; Y115-L123 HydrophobicContact CG-CD1 3.74Å; Y115-P124 PolarHBondContact OH-O 3.33Å; Y115-P124 VanDerWaalsContact OH-O 3.11Å; Y115-H126 HydrophobicContact CE1-CB 3.71Å; Y115-H126 HydrophobicContact CE2-CB 4.44Å; Y115-F128 HydrophobicContact CD1-CB 4.15Å; Y115-F128 HydrophobicContact CD2-CB 4.46Å; Y115-F128 HydrophobicContact CD2-CD2 4.48Å; Y115-F128 HydrophobicContact CG-CB 3.94Å; Y115-A129 HydrophobicContact CD1-CB 3.97Å; Y115-A129 HydrophobicContact CE1-CB 4.03Å; Y115-Y167 PolarHBondContact O-OH 3.07Å |
| 116 | R | 84.7 | Confident | 83.8 | Confident | 107 Ų | 107 | 57 Ų | 57 | 40% | 0.404 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 127.2 | 178.7 | -158.7 | -177.8 | -169.9 | -180 | 6.9 | 110.6 | R113 L114 R118 Y167 A171 S173 | R113-R116 WeakPolarHBondContact O-CB 3.4Å; R113-R116 PolarHBondContact O-N 2.79Å; L114-R116 VanDerWaalsContact C-N 3.31Å; R116-R118 VanDerWaalsContact C-N 3.33Å; R116-R118 PolarHBondContact O-NH1 3.44Å; R116-Y167 VanDerWaalsContact CA-OH 3.26Å; R116-Y167 WeakPolarHBondContact CA-OH 3.28Å; R116-Y167 PolarHBondContact N-OH 3.47Å; R116-A171 PolarHBondContact NE-O 3.01Å; R116-A171 PolarHBondContact NH2-O 3.34Å; R116-S173 PolarHBondContact NH2-O 2.88Å |
| 117 | G | 77.6 | Confident | 84 | Confident | 55 Ų | 55 | 55.1 Ų | 55.1 | 57% | 0.567 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 22.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y115 E132 | Y115-G117 PolarHBondContact O-N 2.94Å; G117-E132 WeakPolarHBondContact CA-OE1 3.23Å; G117-E132 PolarHBondContact N-OE1 3.32Å |
| 118 | R | 82.8 | Confident | 84.3 | Confident | 96 Ų | 96 | 52.7 Ų | 52.7 | 36% | 0.362 | 28% | 0.279 | S | S | . | . | trans | -107.6 | 146.4 | 174.9 | -61 | -57.8 | -163 | -65.2 | -6.7 | 111.8 | L114 Y115 R116 E122 L123 | L114-R118 WeakPolarHBondContact O-CG 3.41Å; L114-R118 PolarHBondContact O-NH1 3.2Å; Y115-R118 WeakPolarHBondContact O-CB 3.44Å; Y115-R118 PolarHBondContact O-N 3.37Å; Y115-R118 VanDerWaalsContact O-N 3.12Å; R116-R118 VanDerWaalsContact C-N 3.33Å; R116-R118 PolarHBondContact O-NH1 3.44Å; R118-E122 WeakPolarHBondContact CA-OE2 3.46Å; R118-L123 HydrophobicContact CB-CD1 4.21Å; R118-L123 HydrophobicContact CG-CD1 3.79Å; R118-L123 HydrophobicContact CG-CG 4.23Å | ||
| 119 | R | 73.6 | Confident | 84.7 | Confident | 78 Ų | 78 | 50 Ų | 50 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | trans | -86.8 | 154.4 | 175.7 | -58.9 | 172.5 | 178.7 | -102.3 | 14.6 | 110.3 | G121 E122 E705 D709 | R119-G121 PolarHBondContact O-N 3.33Å; R119-E122 HydrophobicContact CB-CG 4.06Å; R119-E122 PolarHBondContact N-OE2 3.01Å; R119-E122 WeakPolarHBondContact O-CB 3.38Å; R119-E122 PolarHBondContact O-N 3.21Å; R119-E705 VanDerWaalsContact CZ-CD 3.42Å; R119-E705 IonicContact CZ-OE1 3.38Å; R119-E705 IonicContact CZ-OE2 3.71Å; R119-E705 IonicContact NH1-OE1 3.13Å; R119-E705 PolarHBondContact NH1-OE1 3.47Å; R119-E705 IonicContact NH1-OE2 2.75Å; R119-E705 IonicContact NH2-OE1 2.95Å; R119-E705 PolarHBondContact NH2-OE1 3.12Å; R119-E705 IonicContact NH2-OE2 2.89Å; R119-E705 PolarHBondContact NH2-OE2 3.07Å; R119-D709 IonicContact CZ-OD2 2.79Å; R119-D709 VanDerWaalsContact CZ-OD2 3.24Å; R119-D709 IonicContact NE-OD2 2.67Å; R119-D709 PolarHBondContact NE-OD2 3.01Å; R119-D709 IonicContact NH2-OD1 3.37Å; R119-D709 PolarHBondContact NH2-OD1 3.42Å; R119-D709 VanDerWaalsContact NH2-OD1 3.1Å; R119-D709 IonicContact NH2-OD2 2.74Å; R119-D709 PolarHBondContact NH2-OD2 3.18Å | ||
| 120 | I | 82.4 | Confident | 85.4 | Confident | 44 Ų | 44 | 47.3 Ų | 47.3 | 23% | 0.226 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 127.1 | 170.9 | -63.2 | 168.8 | 0 | 0 | 0 | 108.2 | Y90 A129 I130 F598 | Y90-I120 HydrophobicContact CD1-CG2 4.3Å; Y90-I120 HydrophobicContact CE1-CG2 3.74Å; I120-A129 HydrophobicContact CG1-CB 4.39Å; I120-A129 VanDerWaalsContact CG1-O 3.31Å; I120-A129 WeakPolarHBondContact CG1-O 3.42Å; I120-I130 HydrophobicContact CD1-CD1 3.91Å; I120-I130 HydrophobicContact CG1-CD1 4.4Å; I120-F598 HydrophobicContact CD1-CD1 4.16Å; I120-F598 HydrophobicContact CD1-CE1 3.97Å |
| 121 | G | 76.8 | Confident | 86.1 | Confident | 40 Ų | 40 | 42.5 Ų | 42.5 | 41% | 0.412 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -3.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | R119 L123 | R119-G121 PolarHBondContact O-N 3.33Å; G121-L123 VanDerWaalsContact C-N 3.33Å |
| 122 | E | 79.1 | Confident | 86.4 | Confident | 56 Ų | 56 | 40.4 Ų | 40.4 | 26% | 0.262 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -81.8 | -14.9 | 166.7 | -74.8 | -173.6 | 140.3 | 0 | 0 | 113.2 | R118 R119 L702 | R118-E122 WeakPolarHBondContact CA-OE2 3.46Å; R119-E122 HydrophobicContact CB-CG 4.06Å; R119-E122 PolarHBondContact N-OE2 3.01Å; R119-E122 WeakPolarHBondContact O-CB 3.38Å; R119-E122 PolarHBondContact O-N 3.21Å; E122-L702 HydrophobicContact CG-CD1 4.26Å |
| 123 | L | 87.2 | Confident | 86.7 | Confident | 35 Ų | 35 | 40.6 Ų | 40.6 | 18% | 0.183 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -138.8 | 161.3 | 176.9 | -72 | -179 | 0 | 0 | 0 | 109.3 | Y90 L114 Y115 R118 G121 | Y90-L123 PolarHBondContact OH-O 2.82Å; L114-L123 HydrophobicContact CG-CD1 3.94Å; Y115-L123 HydrophobicContact CD1-CB 4.23Å; Y115-L123 HydrophobicContact CD1-CD1 3.75Å; Y115-L123 HydrophobicContact CD2-CD1 3.82Å; Y115-L123 HydrophobicContact CE1-CB 3.62Å; Y115-L123 HydrophobicContact CE1-CD1 3.83Å; Y115-L123 HydrophobicContact CE1-CG 4.41Å; Y115-L123 HydrophobicContact CE2-CD1 3.9Å; Y115-L123 HydrophobicContact CG-CD1 3.74Å; R118-L123 HydrophobicContact CB-CD1 4.21Å; R118-L123 HydrophobicContact CG-CD1 3.79Å; R118-L123 HydrophobicContact CG-CG 4.23Å; G121-L123 VanDerWaalsContact C-N 3.33Å |
| 124 | P | 88.8 | Confident | 87.1 | Confident | 51 Ų | 51 | 32.6 Ų | 32.6 | 33% | 0.331 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -47.8 | 160.7 | 176.3 | -34.2 | 39.4 | 0 | 0 | 0 | 115.2 | E61 Y90 Y115 H126 | E61-P124 WeakPolarHBondContact OE1-CB 3.44Å; Y90-P124 PolarHBondContact OH-O 3.45Å; Y115-P124 PolarHBondContact OH-O 3.33Å; Y115-P124 VanDerWaalsContact OH-O 3.11Å; P124-H126 PolarHBondContact O-N 2.65Å; P124-H126 VanDerWaalsContact O-N 3.17Å |
| 125 | P | 93.3 | Very high | 87 | Confident | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.039 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -56.4 | 120.3 | 176.3 | -23.6 | 32.5 | 0 | 0 | 0 | 111.9 | E61 Y88 Y90 L95 | E61-P125 HydrophobicContact CB-CG 3.81Å; E61-P125 VanDerWaalsContact CD-CD 3.42Å; E61-P125 HydrophobicContact CG-CG 4.48Å; E61-P125 WeakPolarHBondContact O-CG 3.38Å; E61-P125 VanDerWaalsContact OE1-CD 3.31Å; E61-P125 WeakPolarHBondContact OE1-CD 3.45Å; Y88-P125 WeakPolarHBondContact CB-O 3.37Å; Y88-P125 WeakPolarHBondContact O-CB 3.41Å; Y90-P125 HydrophobicContact CD1-CB 4.49Å; Y90-P125 HydrophobicContact CD2-CB 4.03Å; Y90-P125 HydrophobicContact CD2-CG 3.61Å; Y90-P125 HydrophobicContact CE1-CB 4.49Å; Y90-P125 HydrophobicContact CE2-CB 4.03Å; Y90-P125 HydrophobicContact CE2-CG 3.83Å; Y90-P125 HydrophobicContact CG-CB 4.24Å; Y90-P125 HydrophobicContact CG-CG 4.15Å; L95-P125 HydrophobicContact CD1-CB 4.01Å |
| 126 | H | 94.7 | Very high | 86.8 | Confident | 7 Ų | 7 | 31.1 Ų | 31.1 | 3% | 0.032 | 17% | 0.172 | C | C | . | . | trans | -156.3 | 149.1 | 175.4 | -154 | -104.6 | 0 | 0 | 0 | 111.7 | Y88 Y107 Y115 P124 F128 A129 | Y88-H126 AromaticContact CD2-CD2 3.44Å; Y88-H126 VanDerWaalsContact CD2-CD2 3.44Å; Y88-H126 WeakPolarHBondContact CD2-CD2 3.37Å; Y88-H126 AromaticContact CD2-NE2 3.98Å; Y88-H126 AromaticContact CE2-CD2 3.48Å; Y88-H126 VanDerWaalsContact CE2-CD2 3.48Å; Y88-H126 WeakPolarHBondContact CE2-CD2 3.3Å; Y88-H126 AromaticContact CE2-NE2 3.54Å; Y107-H126 AromaticContact CD1-CE1 3.76Å; Y107-H126 AromaticContact CD1-NE2 3.92Å; Y107-H126 AromaticContact CE1-CE1 3.82Å; Y107-H126 AromaticContact CE1-NE2 3.69Å; Y115-H126 HydrophobicContact CE1-CB 3.71Å; Y115-H126 HydrophobicContact CE2-CB 4.44Å; P124-H126 PolarHBondContact O-N 2.65Å; P124-H126 VanDerWaalsContact O-N 3.17Å; H126-F128 AromaticContact CE1-CD2 3.34Å; H126-F128 WeakPolarHBondContact CE1-CD2 3.14Å; H126-F128 AromaticContact CE1-CE2 3.37Å; H126-F128 WeakPolarHBondContact CE1-CE2 3.1Å; H126-F128 AromaticContact CE1-CG 3.68Å; H126-F128 AromaticContact CE1-CZ 3.76Å; H126-F128 AromaticContact ND1-CD1 3.85Å; H126-F128 AromaticContact ND1-CD2 3.15Å; H126-F128 WeakPolarHBondContact ND1-CD2 3.29Å; H126-F128 AromaticContact ND1-CE2 3.72Å; H126-F128 AromaticContact ND1-CG 3.2Å; H126-F128 WeakPolarHBondContact ND1-CG 3.44Å; H126-F128 PolarHBondContact ND1-N 3.36Å; H126-F128 PolarHBondContact O-N 2.87Å; H126-F128 VanDerWaalsContact O-N 3.16Å; H126-A129 WeakPolarHBondContact O-CB 3.43Å; H126-A129 PolarHBondContact O-N 3Å | ||
| 127 | I | 94.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58 | -30.5 | 176.7 | -172.1 | 57.8 | 0 | 0 | 0 | 112.6 | Y88 L95 Y107 A129 I130 A131 T160 L163 V164 V600 | Y88-I127 HydrophobicContact CE1-CB 4.12Å; Y88-I127 HydrophobicContact CE2-CG2 4.3Å; Y88-I127 WeakPolarHBondContact OH-CG2 3.39Å; L95-I127 HydrophobicContact CD2-CB 4.13Å; L95-I127 HydrophobicContact CD2-CD1 4.11Å; Y107-I127 HydrophobicContact CE1-CG2 4.46Å; I127-A129 VanDerWaalsContact C-N 3.31Å; I127-A129 PolarHBondContact O-N 3.39Å; I127-I130 PolarHBondContact O-N 3.36Å; I127-A131 PolarHBondContact O-N 3.04Å; I127-T160 HydrophobicContact CD1-CG2 3.58Å; I127-T160 HydrophobicContact CG1-CG2 3.99Å; I127-L163 HydrophobicContact CG2-CB 4.07Å; I127-L163 HydrophobicContact CG2-CD1 4.47Å; I127-V164 HydrophobicContact CD1-CG2 3.58Å; I127-V164 HydrophobicContact CG1-CG2 3.56Å; I127-V600 HydrophobicContact CD1-CG1 4.38Å; I127-V600 HydrophobicContact CD1-CG2 3.81Å |
| 128 | F | 93.8 | Very high | 87 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.7 | -30.3 | 175.6 | -60.9 | -17 | 0 | 0 | 0 | 113.4 | Y107 L111 L112 Y115 H126 E132 L163 Y167 | Y107-F128 HydrophobicContact CD1-CE1 4.44Å; Y107-F128 HydrophobicContact CD1-CE2 4.49Å; Y107-F128 AromaticContact CD1-CZ 3.88Å; Y107-F128 HydrophobicContact CD1-CZ 3.88Å; L111-F128 HydrophobicContact CB-CD2 4.39Å; L111-F128 HydrophobicContact CB-CE2 4.17Å; L112-F128 HydrophobicContact CD2-CD1 4.11Å; L112-F128 HydrophobicContact CD2-CD2 3.94Å; L112-F128 HydrophobicContact CD2-CE1 3.66Å; L112-F128 HydrophobicContact CD2-CE2 3.49Å; L112-F128 VanDerWaalsContact CD2-CE2 3.49Å; L112-F128 HydrophobicContact CD2-CG 4.26Å; L112-F128 HydrophobicContact CD2-CZ 3.33Å; L112-F128 HydrophobicContact CG-CE2 4.18Å; L112-F128 HydrophobicContact CG-CZ 4.26Å; Y115-F128 HydrophobicContact CD1-CB 4.15Å; Y115-F128 HydrophobicContact CD2-CB 4.46Å; Y115-F128 HydrophobicContact CD2-CD2 4.48Å; Y115-F128 HydrophobicContact CG-CB 3.94Å; H126-F128 AromaticContact CE1-CD2 3.34Å; H126-F128 WeakPolarHBondContact CE1-CD2 3.14Å; H126-F128 AromaticContact CE1-CE2 3.37Å; H126-F128 WeakPolarHBondContact CE1-CE2 3.1Å; H126-F128 AromaticContact CE1-CG 3.68Å; H126-F128 AromaticContact CE1-CZ 3.76Å; H126-F128 AromaticContact ND1-CD1 3.85Å; H126-F128 AromaticContact ND1-CD2 3.15Å; H126-F128 WeakPolarHBondContact ND1-CD2 3.29Å; H126-F128 AromaticContact ND1-CE2 3.72Å; H126-F128 AromaticContact ND1-CG 3.2Å; H126-F128 WeakPolarHBondContact ND1-CG 3.44Å; H126-F128 PolarHBondContact ND1-N 3.36Å; H126-F128 PolarHBondContact O-N 2.87Å; H126-F128 VanDerWaalsContact O-N 3.16Å; F128-E132 VanDerWaalsContact O-CB 3.32Å; F128-E132 WeakPolarHBondContact O-CB 3.29Å; F128-E132 PolarHBondContact O-N 3.49Å; F128-L163 HydrophobicContact CE1-CB 4.5Å; F128-Y167 HydrophobicContact CB-CD2 3.49Å; F128-Y167 VanDerWaalsContact CB-CD2 3.49Å; F128-Y167 HydrophobicContact CB-CE2 3.72Å; F128-Y167 HydrophobicContact CB-CG 4.23Å; F128-Y167 AromaticContact CD1-CD2 3.53Å; F128-Y167 HydrophobicContact CD1-CD2 3.53Å; F128-Y167 AromaticContact CD1-CG 3.93Å; F128-Y167 HydrophobicContact CD1-CG 3.93Å; F128-Y167 HydrophobicContact CD2-CD2 4.13Å; F128-Y167 HydrophobicContact CE1-CD2 4.29Å; F128-Y167 AromaticContact CG-CD2 3.44Å; F128-Y167 HydrophobicContact CG-CD2 3.44Å; F128-Y167 VanDerWaalsContact CG-CD2 3.44Å; F128-Y167 HydrophobicContact CG-CE2 4.06Å; F128-Y167 HydrophobicContact CG-CG 4.23Å |
| 129 | A | 91.8 | Very high | 86.9 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.5 | -35.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y90 Y115 I120 H126 I127 G133 | Y90-A129 WeakPolarHBondContact OH-CB 3.49Å; Y115-A129 HydrophobicContact CD1-CB 3.97Å; Y115-A129 HydrophobicContact CE1-CB 4.03Å; I120-A129 HydrophobicContact CG1-CB 4.39Å; I120-A129 VanDerWaalsContact CG1-O 3.31Å; I120-A129 WeakPolarHBondContact CG1-O 3.42Å; H126-A129 WeakPolarHBondContact O-CB 3.43Å; H126-A129 PolarHBondContact O-N 3Å; I127-A129 VanDerWaalsContact C-N 3.31Å; I127-A129 PolarHBondContact O-N 3.39Å; A129-G133 PolarHBondContact O-N 3.26Å |
| 130 | I | 92.5 | Very high | 87 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.6 | -44.4 | 175.5 | -56 | -57.5 | 0 | 0 | 0 | 110.6 | Y90 L95 I120 I127 G133 A134 I147 F598 V600 | Y90-I130 HydrophobicContact CE1-CD1 4.39Å; L95-I130 HydrophobicContact CB-CD1 4.07Å; L95-I130 HydrophobicContact CB-CG1 3.77Å; L95-I130 HydrophobicContact CD2-CG1 3.9Å; L95-I130 HydrophobicContact CG-CG1 4.37Å; I120-I130 HydrophobicContact CD1-CD1 3.91Å; I120-I130 HydrophobicContact CG1-CD1 4.4Å; I127-I130 PolarHBondContact O-N 3.36Å; I130-G133 PolarHBondContact O-N 3.08Å; I130-A134 PolarHBondContact O-N 3.01Å; I130-I147 HydrophobicContact CG2-CG2 4.23Å; I130-F598 HydrophobicContact CG2-CB 3.88Å; I130-F598 HydrophobicContact CG2-CD1 4.33Å; I130-F598 HydrophobicContact CG2-CG 4.45Å; I130-V600 HydrophobicContact CG2-CG2 4.26Å |
| 131 | A | 92.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | I127 A134 R135 V164 Y167 | I127-A131 PolarHBondContact O-N 3.04Å; A131-A134 PolarHBondContact O-N 3.36Å; A131-R135 WeakPolarHBondContact O-CB 3.16Å; A131-R135 PolarHBondContact O-N 3.2Å; A131-V164 HydrophobicContact CB-CG1 4.1Å; A131-V164 HydrophobicContact CB-CG2 4.44Å; A131-Y167 HydrophobicContact CB-CD1 3.5Å; A131-Y167 HydrophobicContact CB-CE1 4.32Å; A131-Y167 HydrophobicContact CB-CG 3.93Å |
| 132 | E | 90.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.1 | -36.7 | 175.9 | -174.3 | 64.3 | 164.5 | 0 | 0 | 112.7 | G117 F128 A134 R135 C136 Y167 | G117-E132 WeakPolarHBondContact CA-OE1 3.23Å; G117-E132 PolarHBondContact N-OE1 3.32Å; F128-E132 VanDerWaalsContact O-CB 3.32Å; F128-E132 WeakPolarHBondContact O-CB 3.29Å; F128-E132 PolarHBondContact O-N 3.49Å; E132-A134 PolarHBondContact O-N 3.22Å; E132-R135 VanDerWaalsContact CD-NH2 3.25Å; E132-R135 PolarHBondContact O-N 2.88Å; E132-R135 IonicContact OE1-CZ 3.57Å; E132-R135 IonicContact OE1-NE 2.69Å; E132-R135 IonicContact OE1-NH2 2.78Å; E132-R135 PolarHBondContact OE1-NH2 3.31Å; E132-R135 IonicContact OE2-CZ 2.73Å; E132-R135 VanDerWaalsContact OE2-CZ 3.24Å; E132-R135 IonicContact OE2-NE 2.65Å; E132-R135 PolarHBondContact OE2-NE 3Å; E132-R135 IonicContact OE2-NH2 2.92Å; E132-R135 PolarHBondContact OE2-NH2 2.93Å; E132-C136 VanDerWaalsContact O-CB 3.28Å; E132-C136 WeakPolarHBondContact O-CB 3.38Å; E132-C136 PolarHBondContact O-N 2.98Å; E132-C136 PolarHBondContact O-SG 3.47Å; E132-Y167 HydrophobicContact CB-CE1 3.7Å; E132-Y167 HydrophobicContact CG-CE1 4.46Å; E132-Y167 WeakPolarHBondContact OE2-CE1 3.34Å; E132-Y167 PolarHBondContact OE2-OH 3.06Å |
| 133 | G | 86.9 | Confident | 86.4 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 14% | 0.144 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.7 | -47.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A129 I130 H137 | A129-G133 PolarHBondContact O-N 3.26Å; I130-G133 PolarHBondContact O-N 3.08Å; G133-H137 WeakPolarHBondContact O-CB 3.45Å; G133-H137 PolarHBondContact O-N 3.4Å |
| 134 | A | 88.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.6 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I130 A131 E132 C136 H137 V138 C145 I147 I429 F598 | I130-A134 PolarHBondContact O-N 3.01Å; A131-A134 PolarHBondContact O-N 3.36Å; E132-A134 PolarHBondContact O-N 3.22Å; A134-C136 PolarHBondContact O-N 3.33Å; A134-H137 PolarHBondContact O-N 2.84Å; A134-V138 PolarHBondContact O-N 3.3Å; A134-C145 HydrophobicContact CB-CB 4.21Å; A134-I147 HydrophobicContact CB-CD1 3.82Å; A134-I147 HydrophobicContact CB-CG1 3.92Å; A134-I429 HydrophobicContact CB-CD1 4.15Å; A134-I429 HydrophobicContact CB-CG2 4.24Å; A134-F598 HydrophobicContact CB-CD2 3.94Å; A134-F598 HydrophobicContact CB-CE2 3.86Å; A134-F598 HydrophobicContact CB-CG 4.45Å; A134-F598 HydrophobicContact CB-CZ 4.28Å |
| 135 | R | 86.6 | Confident | 86.3 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 11% | 0.106 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 178.3 | -160.6 | -171.9 | 66.4 | 79.8 | 13.2 | 112.3 | A131 E132 I139 L168 F218 I429 | A131-R135 WeakPolarHBondContact O-CB 3.16Å; A131-R135 PolarHBondContact O-N 3.2Å; E132-R135 VanDerWaalsContact CD-NH2 3.25Å; E132-R135 PolarHBondContact O-N 2.88Å; E132-R135 IonicContact OE1-CZ 3.57Å; E132-R135 IonicContact OE1-NE 2.69Å; E132-R135 IonicContact OE1-NH2 2.78Å; E132-R135 PolarHBondContact OE1-NH2 3.31Å; E132-R135 IonicContact OE2-CZ 2.73Å; E132-R135 VanDerWaalsContact OE2-CZ 3.24Å; E132-R135 IonicContact OE2-NE 2.65Å; E132-R135 PolarHBondContact OE2-NE 3Å; E132-R135 IonicContact OE2-NH2 2.92Å; E132-R135 PolarHBondContact OE2-NH2 2.93Å; R135-I139 HydrophobicContact CG-CD1 4.05Å; R135-I139 WeakPolarHBondContact O-CD1 3.3Å; R135-I139 VanDerWaalsContact O-CG1 3.28Å; R135-I139 WeakPolarHBondContact O-CG1 3.22Å; R135-I139 PolarHBondContact O-N 3.4Å; R135-I139 VanDerWaalsContact O-N 3.12Å; R135-L168 HydrophobicContact CB-CD2 3.81Å; R135-L168 HydrophobicContact CG-CD2 4.02Å; R135-F218 HydrophobicContact CG-CE1 4.39Å; R135-I429 HydrophobicContact CB-CD1 4.19Å |
| 136 | C | 84.2 | Confident | 86 | Confident | 35 Ų | 35 | 35 Ų | 35 | 24% | 0.236 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.7 | -37.6 | 175.3 | -69.9 | 0 | 0 | 0 | 0 | 112.1 | E132 A134 I139 N140 | E132-C136 VanDerWaalsContact O-CB 3.28Å; E132-C136 WeakPolarHBondContact O-CB 3.38Å; E132-C136 PolarHBondContact O-N 2.98Å; E132-C136 PolarHBondContact O-SG 3.47Å; A134-C136 PolarHBondContact O-N 3.33Å; C136-I139 PolarHBondContact O-N 2.89Å; C136-N140 WeakPolarHBondContact O-CB 3.47Å; C136-N140 PolarHBondContact O-N 3.09Å; C136-N140 PolarHBondContact O-ND2 3.43Å; C136-N140 VanDerWaalsContact O-ND2 3.14Å |
| 137 | H | 83.8 | Confident | 85.8 | Confident | 42 Ų | 42 | 34.7 Ų | 34.7 | 19% | 0.194 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.7 | -45.6 | 176.3 | -166 | 98 | 0 | 0 | 0 | 111.7 | G133 A134 I139 E141 Q143 C145 F598 | G133-H137 WeakPolarHBondContact O-CB 3.45Å; G133-H137 PolarHBondContact O-N 3.4Å; A134-H137 PolarHBondContact O-N 2.84Å; H137-I139 PolarHBondContact O-N 3.44Å; H137-E141 WeakPolarHBondContact O-CB 3.17Å; H137-E141 PolarHBondContact O-N 3.08Å; H137-Q143 PolarHBondContact NE2-OE1 3.34Å; H137-C145 VanDerWaalsContact CD2-SG 3.53Å; H137-F598 HydrophobicContact CB-CE2 4.49Å; H137-F598 HydrophobicContact CB-CZ 4.26Å |
| 138 | V | 83.3 | Confident | 85.4 | Confident | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.036 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.9 | -44.8 | 174.5 | 165.6 | 0 | 0 | 0 | 0 | 112.1 | A134 R142 C145 F218 I429 | A134-V138 PolarHBondContact O-N 3.3Å; V138-R142 VanDerWaalsContact O-CA 3.28Å; V138-R142 WeakPolarHBondContact O-CA 3.36Å; V138-R142 PolarHBondContact O-N 2.89Å; V138-C145 HydrophobicContact CG2-CB 4.11Å; V138-F218 HydrophobicContact CG1-CD2 4.44Å; V138-I429 HydrophobicContact CG2-CD1 4.44Å; V138-I429 HydrophobicContact CG2-CG1 3.64Å |
| 139 | I | 79.5 | Confident | 85 | Confident | 55 Ų | 55 | 35 Ų | 35 | 28% | 0.282 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -74.1 | -43.8 | -176.2 | -67.1 | 165.3 | 0 | 0 | 0 | 112 | R135 C136 H137 | R135-I139 HydrophobicContact CG-CD1 4.05Å; R135-I139 WeakPolarHBondContact O-CD1 3.3Å; R135-I139 VanDerWaalsContact O-CG1 3.28Å; R135-I139 WeakPolarHBondContact O-CG1 3.22Å; R135-I139 PolarHBondContact O-N 3.4Å; R135-I139 VanDerWaalsContact O-N 3.12Å; C136-I139 PolarHBondContact O-N 2.89Å; H137-I139 PolarHBondContact O-N 3.44Å |
| 140 | N | 76.7 | Confident | 84.5 | Confident | 115 Ų | 115 | 34.9 Ų | 34.9 | 62% | 0.615 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -84.9 | -47.2 | -171.7 | -63.4 | -30.2 | 0 | 0 | 0 | 112.7 | C136 | C136-N140 WeakPolarHBondContact O-CB 3.47Å; C136-N140 PolarHBondContact O-N 3.09Å; C136-N140 PolarHBondContact O-ND2 3.43Å; C136-N140 VanDerWaalsContact O-ND2 3.14Å |
| 141 | E | 74.1 | Confident | 83.7 | Confident | 96 Ų | 96 | 34.9 Ų | 34.9 | 45% | 0.449 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -92.6 | -11 | -175.7 | -57.8 | -64.8 | 130.8 | 0 | 0 | 112.5 | H137 Q143 | H137-E141 WeakPolarHBondContact O-CB 3.17Å; H137-E141 PolarHBondContact O-N 3.08Å; E141-Q143 PolarHBondContact O-N 3.09Å |
| 142 | R | 73.6 | Confident | 82.6 | Confident | 194 Ų | 194 | 37.5 Ų | 37.5 | 73% | 0.732 | 18% | 0.181 | S | C | * | . | trans | 55 | 31 | -176.7 | -60.3 | -174.3 | 173.4 | -159 | -4.8 | 114 | V138 | V138-R142 VanDerWaalsContact O-CA 3.28Å; V138-R142 WeakPolarHBondContact O-CA 3.36Å; V138-R142 PolarHBondContact O-N 2.89Å | ||
| 143 | Q | 78 | Confident | 81.3 | Confident | 81 Ų | 81 | 39.1 Ų | 39.1 | 38% | 0.379 | 19% | 0.192 | S | C | . | . | trans | -109.2 | 136.5 | 175.2 | -171.5 | -171.2 | 10.5 | 0 | 0 | 109.7 | H137 E141 | H137-Q143 PolarHBondContact NE2-OE1 3.34Å; E141-Q143 PolarHBondContact O-N 3.09Å | ||
| 144 | N | 84.6 | Confident | 80.5 | Confident | 59 Ų | 59 | 39.8 Ų | 39.8 | 32% | 0.316 | 20% | 0.198 | S | C | . | . | trans | -63 | 145.6 | 174.6 | -66.1 | -6.6 | 0 | 0 | 0 | 111.3 | G427 S428 R595 K596 | N144-G427 WeakPolarHBondContact OD1-CA 3.47Å; N144-S428 CarbonylContact C-O 3.59Å; N144-S428 VanDerWaalsContact CA-O 3.3Å; N144-S428 WeakPolarHBondContact CA-O 3.42Å; N144-S428 PolarHBondContact OD1-N 3.32Å; N144-R595 HydrophobicContact CB-CG 3.88Å; N144-R595 CarbonylContact O-C 3.53Å; N144-R595 VanDerWaalsContact O-CA 3.25Å; N144-R595 WeakPolarHBondContact O-CA 3.21Å; N144-K596 PolarHBondContact O-N 3.33Å | ||
| 145 | C | 88.2 | Confident | 80 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 164.4 | -179.5 | -67.5 | 0 | 0 | 0 | 0 | 111.9 | A134 H137 V138 S428 I429 G430 R595 K596 F598 | A134-C145 HydrophobicContact CB-CB 4.21Å; H137-C145 VanDerWaalsContact CD2-SG 3.53Å; V138-C145 HydrophobicContact CG2-CB 4.11Å; C145-S428 PolarHBondContact N-O 3.1Å; C145-I429 HydrophobicContact CB-CG1 4.4Å; C145-I429 HydrophobicContact CB-CG2 4.45Å; C145-G430 PolarHBondContact O-N 3.22Å; C145-R595 PolarHBondContact O-NH1 3.14Å; C145-K596 CarbonylContact C-O 3.59Å; C145-K596 WeakPolarHBondContact CA-O 3.23Å; C145-F598 HydrophobicContact CB-CD2 4.49Å; C145-F598 HydrophobicContact CB-CE2 4.28Å |
| 146 | C | 88.6 | Confident | 79.6 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 134.6 | 162.4 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | G430 L592 R595 K596 P597 F598 | C146-G430 CarbonylContact C-O 3.57Å; C146-G430 VanDerWaalsContact CA-O 3.24Å; C146-G430 WeakPolarHBondContact CA-O 3.43Å; C146-L592 HydrophobicContact CB-CD2 3.78Å; C146-L592 WeakPolarHBondContact SG-CD2 3.21Å; C146-R595 HydrophobicContact CB-CB 4.4Å; C146-K596 PolarHBondContact N-O 3.49Å; C146-P597 CarbonylContact O-C 3.52Å; C146-P597 WeakPolarHBondContact O-CA 3.34Å; C146-F598 PolarHBondContact O-N 3.44Å |
| 147 | I | 90.4 | Very high | 79.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 105.7 | 168 | -58.9 | 170.7 | 0 | 0 | 0 | 106.6 | I130 A134 I149 V164 I429 G430 L432 F598 V600 | I130-I147 HydrophobicContact CG2-CG2 4.23Å; A134-I147 HydrophobicContact CB-CD1 3.82Å; A134-I147 HydrophobicContact CB-CG1 3.92Å; I147-I149 HydrophobicContact CG2-CG1 4.29Å; I147-V164 HydrophobicContact CD1-CG1 3.61Å; I147-I429 HydrophobicContact CD1-CG2 3.91Å; I147-I429 HydrophobicContact CG1-CG2 4.08Å; I147-G430 PolarHBondContact N-O 3.47Å; I147-L432 PolarHBondContact O-N 3.36Å; I147-F598 WeakPolarHBondContact CA-O 3.47Å; I147-F598 HydrophobicContact CG1-CB 4.31Å; I147-V600 HydrophobicContact CG2-CG2 4.22Å |
| 148 | T | 84.7 | Confident | 78.8 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 109.6 | -176.2 | -57.4 | 0 | 0 | 0 | 0 | 109.7 | L432 I434 F598 F599 V600 | T148-L432 CarbonylContact C-O 3.59Å; T148-L432 WeakPolarHBondContact CA-O 3.39Å; T148-I434 HydrophobicContact CG2-CG1 3.99Å; T148-I434 WeakPolarHBondContact CG2-O 3.3Å; T148-F598 PolarHBondContact N-O 2.73Å; T148-F599 HydrophobicContact CG2-CD1 4.2Å; T148-F599 HydrophobicContact CG2-CE1 4.28Å; T148-F599 WeakPolarHBondContact O-CA 3.2Å; T148-V600 PolarHBondContact O-N 3.12Å |
| 149 | I | 86.4 | Confident | 78.6 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 136.1 | -179.7 | -55.1 | 170.7 | 0 | 0 | 0 | 108 | I147 K157 T160 A161 I431 L432 D433 I434 V600 | I147-I149 HydrophobicContact CG2-CG1 4.29Å; I149-K157 HydrophobicContact CG2-CB 3.86Å; I149-K157 HydrophobicContact CG2-CG 4.15Å; I149-T160 HydrophobicContact CD1-CG2 3.95Å; I149-T160 HydrophobicContact CG1-CG2 4.33Å; I149-T160 HydrophobicContact CG2-CG2 4.21Å; I149-A161 HydrophobicContact CD1-CB 3.78Å; I149-I431 HydrophobicContact CD1-CG2 3.94Å; I149-L432 PolarHBondContact N-O 3.37Å; I149-D433 CarbonylContact O-C 3.46Å; I149-D433 WeakPolarHBondContact O-CA 3.39Å; I149-I434 PolarHBondContact O-N 3.03Å; I149-I434 VanDerWaalsContact O-O 3.1Å; I149-V600 CarbonylContact C-O 3.6Å; I149-V600 WeakPolarHBondContact CA-O 3.31Å; I149-V600 HydrophobicContact CG1-CB 4.25Å; I149-V600 HydrophobicContact CG1-CG2 4.42Å |
| 150 | S | 81.3 | Confident | 79 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 147.7 | -175.1 | 71.3 | 0 | 0 | 0 | 0 | 112.2 | I434 V600 R601 C602 | S150-I434 WeakPolarHBondContact CB-O 3.44Å; S150-V600 PolarHBondContact N-O 3.29Å; S150-R601 CarbonylContact O-C 3.5Å; S150-R601 WeakPolarHBondContact O-CA 3.46Å; S150-R601 WeakPolarHBondContact OG-CD 3.4Å; S150-R601 PolarHBondContact OG-NH1 3.07Å; S150-C602 PolarHBondContact O-N 3.12Å |
| 151 | G | 75 | Confident | 79.3 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | 160.1 | 169.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K157 Y435 C602 | G151-K157 PolarHBondContact O-NZ 2.87Å; G151-Y435 PolarHBondContact O-OH 3.04Å; G151-C602 VanDerWaalsContact CA-O 3.25Å; G151-C602 WeakPolarHBondContact CA-O 3.18Å | ||
| 152 | E | 69 | Low | 79.6 | Confident | 55 Ų | 55 | 36.4 Ų | 36.4 | 26% | 0.257 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -66.7 | 172.5 | -179.9 | -144.4 | -166.1 | 156.1 | 0 | 0 | 112.4 | G154 S155 K157 R203 | E152-G154 PolarHBondContact O-N 3.26Å; E152-S155 PolarHBondContact N-OG 3Å; E152-S155 WeakPolarHBondContact O-CB 3.24Å; E152-S155 PolarHBondContact O-N 3.5Å; E152-S155 PolarHBondContact O-OG 3.25Å; E152-K157 PolarHBondContact O-NZ 2.75Å; E152-R203 IonicContact OE1-NH1 3.65Å; E152-R203 PolarHBondContact OE1-NH1 2.77Å |
| 153 | S | 64.4 | Low | 80.4 | Confident | 34 Ų | 34 | 27.3 Ų | 27.3 | 24% | 0.238 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 132.5 | 172.7 | -158 | 0 | 0 | 0 | 0 | 109.9 | N204 S207 | S153-N204 PolarHBondContact OG-ND2 3.1Å; S153-S207 PolarHBondContact OG-OG 3.24Å |
| 154 | G | 68.8 | Low | 80.9 | Confident | 27 Ų | 27 | 23.5 Ų | 23.5 | 28% | 0.278 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -3.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | N99 Y101 E152 G156 | N99-G154 PolarHBondContact ND2-O 3.33Å; Y101-G154 PolarHBondContact OH-O 2.66Å; E152-G154 PolarHBondContact O-N 3.26Å; G154-G156 PolarHBondContact O-N 3.23Å; G154-G156 VanDerWaalsContact O-N 3.08Å |
| 155 | S | 78.8 | Confident | 80.9 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -71.2 | 4.2 | 178.4 | 62.2 | 0 | 0 | 0 | 0 | 115.8 | E152 K157 C602 | E152-S155 PolarHBondContact N-OG 3Å; E152-S155 WeakPolarHBondContact O-CB 3.24Å; E152-S155 PolarHBondContact O-N 3.5Å; E152-S155 PolarHBondContact O-OG 3.25Å; S155-K157 WeakPolarHBondContact OG-CG 3.04Å; S155-C602 WeakPolarHBondContact O-CB 3.45Å |
| 156 | G | 78.9 | Confident | 80.7 | Confident | 19 Ų | 19 | 24.1 Ų | 24.1 | 20% | 0.196 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 90 | 15.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | G154 T158 E159 T160 | G154-G156 PolarHBondContact O-N 3.23Å; G154-G156 VanDerWaalsContact O-N 3.08Å; G156-T158 PolarHBondContact O-N 3.05Å; G156-E159 PolarHBondContact O-N 2.79Å; G156-T160 WeakPolarHBondContact O-CB 3.39Å; G156-T160 PolarHBondContact O-N 2.87Å; G156-T160 PolarHBondContact O-OG1 3.43Å |
| 157 | K | 77.7 | Confident | 80.7 | Confident | 27 Ų | 27 | 24.2 Ų | 24.2 | 12% | 0.117 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.5 | -47.3 | -176.9 | -52.6 | -165.1 | -62.6 | -82.2 | 0 | 113.9 | I149 G151 E152 S155 E159 T160 A161 D433 C602 | I149-K157 HydrophobicContact CG2-CB 3.86Å; I149-K157 HydrophobicContact CG2-CG 4.15Å; G151-K157 PolarHBondContact O-NZ 2.87Å; E152-K157 PolarHBondContact O-NZ 2.75Å; S155-K157 WeakPolarHBondContact OG-CG 3.04Å; K157-E159 PolarHBondContact O-N 2.83Å; K157-T160 WeakPolarHBondContact O-CB 3.44Å; K157-T160 PolarHBondContact O-N 2.86Å; K157-A161 PolarHBondContact O-N 2.94Å; K157-D433 VanDerWaalsContact CB-OD2 3.24Å; K157-D433 WeakPolarHBondContact CB-OD2 3.45Å; K157-D433 WeakPolarHBondContact CD-OD1 3.47Å; K157-D433 WeakPolarHBondContact CE-OD1 3.42Å; K157-D433 WeakPolarHBondContact CE-OD2 3.4Å; K157-C602 HydrophobicContact CG-CB 4Å |
| 158 | T | 71.9 | Confident | 80.5 | Confident | 66 Ų | 66 | 24.2 Ų | 24.2 | 41% | 0.405 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -60.1 | -45.3 | 179 | -39 | 0 | 0 | 0 | 0 | 111.8 | G156 T160 A161 R162 | G156-T158 PolarHBondContact O-N 3.05Å; T158-T160 PolarHBondContact O-N 3Å; T158-A161 WeakPolarHBondContact O-CB 3.18Å; T158-A161 PolarHBondContact O-N 3.34Å; T158-R162 PolarHBondContact O-N 2.72Å |
| 159 | E | 79.2 | Confident | 80.2 | Confident | 76 Ų | 76 | 24 Ų | 24 | 36% | 0.355 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -68.4 | -35.9 | 177.3 | -172.1 | 60.6 | -168.9 | 0 | 0 | 111.6 | G156 K157 A161 R162 L163 | G156-E159 PolarHBondContact O-N 2.79Å; K157-E159 PolarHBondContact O-N 2.83Å; E159-A161 VanDerWaalsContact C-N 3.33Å; E159-A161 PolarHBondContact O-N 2.94Å; E159-R162 WeakPolarHBondContact O-CB 3.43Å; E159-R162 PolarHBondContact O-N 2.88Å; E159-R162 IonicContact OE1-CZ 2.66Å; E159-R162 IonicContact OE1-NE 3.01Å; E159-R162 PolarHBondContact OE1-NE 3.42Å; E159-R162 IonicContact OE1-NH2 2.73Å; E159-R162 PolarHBondContact OE1-NH2 3.12Å; E159-R162 IonicContact OE2-CZ 2.84Å; E159-R162 IonicContact OE2-NE 2.66Å; E159-R162 PolarHBondContact OE2-NE 3.48Å; E159-R162 IonicContact OE2-NH2 3.11Å; E159-L163 HydrophobicContact CG-CD1 4.12Å; E159-L163 HydrophobicContact CG-CG 4.44Å; E159-L163 WeakPolarHBondContact O-CB 3.27Å; E159-L163 WeakPolarHBondContact O-CD1 3.38Å; E159-L163 WeakPolarHBondContact O-CG 3.44Å; E159-L163 PolarHBondContact O-N 3.26Å |
| 160 | T | 87.8 | Confident | 79.9 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 3% | 0.025 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 172.2 | -58.7 | 0 | 0 | 0 | 0 | 111 | I127 I149 G156 K157 T158 L163 V164 V600 | I127-T160 HydrophobicContact CD1-CG2 3.58Å; I127-T160 HydrophobicContact CG1-CG2 3.99Å; I149-T160 HydrophobicContact CD1-CG2 3.95Å; I149-T160 HydrophobicContact CG1-CG2 4.33Å; I149-T160 HydrophobicContact CG2-CG2 4.21Å; G156-T160 WeakPolarHBondContact O-CB 3.39Å; G156-T160 PolarHBondContact O-N 2.87Å; G156-T160 PolarHBondContact O-OG1 3.43Å; K157-T160 WeakPolarHBondContact O-CB 3.44Å; K157-T160 PolarHBondContact O-N 2.86Å; T158-T160 PolarHBondContact O-N 3Å; T160-L163 PolarHBondContact O-N 2.94Å; T160-V164 WeakPolarHBondContact O-CG2 3.29Å; T160-V164 PolarHBondContact O-N 2.85Å; T160-V600 HydrophobicContact CG2-CG1 3.92Å |
| 161 | A | 83.6 | Confident | 79.7 | Confident | 23 Ų | 23 | 26 Ų | 26 | 19% | 0.19 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I149 K157 T158 E159 L163 V164 L165 I431 | I149-A161 HydrophobicContact CD1-CB 3.78Å; K157-A161 PolarHBondContact O-N 2.94Å; T158-A161 WeakPolarHBondContact O-CB 3.18Å; T158-A161 PolarHBondContact O-N 3.34Å; E159-A161 VanDerWaalsContact C-N 3.33Å; E159-A161 PolarHBondContact O-N 2.94Å; A161-L163 PolarHBondContact O-N 3.23Å; A161-V164 PolarHBondContact O-N 2.74Å; A161-L165 WeakPolarHBondContact O-CG 3.4Å; A161-L165 PolarHBondContact O-N 3.3Å; A161-I431 HydrophobicContact CB-CG2 4.04Å |
| 162 | R | 81.7 | Confident | 79.7 | Confident | 91 Ų | 91 | 26.1 Ų | 26.1 | 34% | 0.343 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.5 | -155.5 | -179.7 | 74.1 | 93.8 | 6.3 | 112.1 | T158 E159 L165 Q166 L187 | T158-R162 PolarHBondContact O-N 2.72Å; E159-R162 WeakPolarHBondContact O-CB 3.43Å; E159-R162 PolarHBondContact O-N 2.88Å; E159-R162 IonicContact OE1-CZ 2.66Å; E159-R162 IonicContact OE1-NE 3.01Å; E159-R162 PolarHBondContact OE1-NE 3.42Å; E159-R162 IonicContact OE1-NH2 2.73Å; E159-R162 PolarHBondContact OE1-NH2 3.12Å; E159-R162 IonicContact OE2-CZ 2.84Å; E159-R162 IonicContact OE2-NE 2.66Å; E159-R162 PolarHBondContact OE2-NE 3.48Å; E159-R162 IonicContact OE2-NH2 3.11Å; R162-L165 WeakPolarHBondContact O-CB 3.43Å; R162-L165 PolarHBondContact O-N 3.25Å; R162-Q166 WeakPolarHBondContact O-CB 3.21Å; R162-Q166 PolarHBondContact O-N 3.48Å; R162-L187 HydrophobicContact CG-CD2 3.61Å |
| 163 | L | 88.7 | Confident | 79.4 | Confident | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.7 | -35.4 | 176.4 | -70 | 165.4 | 0 | 0 | 0 | 112.7 | Y107 I127 F128 E159 T160 A161 Y167 | Y107-L163 HydrophobicContact CD1-CD1 4.04Å; Y107-L163 HydrophobicContact CD1-CD2 3.54Å; Y107-L163 HydrophobicContact CD1-CG 4.39Å; Y107-L163 HydrophobicContact CD2-CD2 4.03Å; Y107-L163 HydrophobicContact CE1-CD1 3.5Å; Y107-L163 HydrophobicContact CE1-CD2 3.94Å; Y107-L163 HydrophobicContact CE1-CG 4.32Å; Y107-L163 HydrophobicContact CE2-CD1 4.06Å; Y107-L163 HydrophobicContact CE2-CD2 4.37Å; Y107-L163 HydrophobicContact CG-CD2 3.58Å; I127-L163 HydrophobicContact CG2-CB 4.07Å; I127-L163 HydrophobicContact CG2-CD1 4.47Å; F128-L163 HydrophobicContact CE1-CB 4.5Å; E159-L163 HydrophobicContact CG-CD1 4.12Å; E159-L163 HydrophobicContact CG-CG 4.44Å; E159-L163 WeakPolarHBondContact O-CB 3.27Å; E159-L163 WeakPolarHBondContact O-CD1 3.38Å; E159-L163 WeakPolarHBondContact O-CG 3.44Å; E159-L163 PolarHBondContact O-N 3.26Å; T160-L163 PolarHBondContact O-N 2.94Å; A161-L163 PolarHBondContact O-N 3.23Å; L163-Y167 WeakPolarHBondContact O-CB 3.43Å; L163-Y167 PolarHBondContact O-N 3.49Å |
| 164 | V | 89.9 | Confident | 79 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | 170.3 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | I127 A131 I147 T160 A161 Y167 L168 I431 | I127-V164 HydrophobicContact CD1-CG2 3.58Å; I127-V164 HydrophobicContact CG1-CG2 3.56Å; A131-V164 HydrophobicContact CB-CG1 4.1Å; A131-V164 HydrophobicContact CB-CG2 4.44Å; I147-V164 HydrophobicContact CD1-CG1 3.61Å; T160-V164 WeakPolarHBondContact O-CG2 3.29Å; T160-V164 PolarHBondContact O-N 2.85Å; A161-V164 PolarHBondContact O-N 2.74Å; V164-Y167 PolarHBondContact O-N 3.33Å; V164-L168 HydrophobicContact CG1-CD1 3.81Å; V164-L168 HydrophobicContact CG1-CG 4.32Å; V164-L168 VanDerWaalsContact O-CG 3.31Å; V164-L168 WeakPolarHBondContact O-CG 3.5Å; V164-L168 PolarHBondContact O-N 3.44Å; V164-I431 HydrophobicContact CB-CD1 4.14Å; V164-I431 HydrophobicContact CG1-CD1 3.55Å; V164-I431 HydrophobicContact CG1-CG1 4.15Å |
| 165 | L | 84.1 | Confident | 78.1 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.6 | -50.2 | 177.1 | -79.2 | 162.3 | 0 | 0 | 0 | 112 | A161 R162 Y167 L168 A169 I186 I216 I431 | A161-L165 WeakPolarHBondContact O-CG 3.4Å; A161-L165 PolarHBondContact O-N 3.3Å; R162-L165 WeakPolarHBondContact O-CB 3.43Å; R162-L165 PolarHBondContact O-N 3.25Å; L165-Y167 VanDerWaalsContact C-N 3.3Å; L165-Y167 PolarHBondContact O-N 2.93Å; L165-L168 PolarHBondContact O-N 2.97Å; L165-A169 WeakPolarHBondContact O-CB 3.19Å; L165-A169 PolarHBondContact O-N 3.43Å; L165-I186 HydrophobicContact CD1-CG2 3.81Å; L165-I186 HydrophobicContact CD2-CD1 4.36Å; L165-I186 HydrophobicContact CD2-CG2 3.76Å; L165-I186 HydrophobicContact CG-CG2 4.44Å; L165-I216 HydrophobicContact CD2-CD1 3.56Å; L165-I216 HydrophobicContact CD2-CG1 4.29Å; L165-I431 HydrophobicContact CD2-CD1 4.1Å; L165-I431 HydrophobicContact CG-CD1 3.86Å |
| 166 | Q | 83.3 | Confident | 76.5 | Confident | 58 Ų | 58 | 39 Ų | 39 | 27% | 0.271 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.6 | -40.8 | 177.1 | -170.4 | -174.9 | 17.8 | 0 | 0 | 111.9 | R162 V170 | R162-Q166 WeakPolarHBondContact O-CB 3.21Å; R162-Q166 PolarHBondContact O-N 3.48Å; Q166-V170 PolarHBondContact O-N 2.75Å; Q166-V170 VanDerWaalsContact O-N 3.14Å |
| 167 | Y | 88.6 | Confident | 74.7 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -52 | 174.5 | -175.2 | -87.5 | 0 | 0 | 0 | 111.9 | L112 Y115 R116 F128 A131 E132 L163 V164 L165 A169 V170 A171 | L112-Y167 HydrophobicContact CD2-CD2 3.58Å; L112-Y167 HydrophobicContact CD2-CE2 4.35Å; L112-Y167 HydrophobicContact CD2-CG 4.39Å; Y115-Y167 PolarHBondContact O-OH 3.07Å; R116-Y167 VanDerWaalsContact CA-OH 3.26Å; R116-Y167 WeakPolarHBondContact CA-OH 3.28Å; R116-Y167 PolarHBondContact N-OH 3.47Å; F128-Y167 HydrophobicContact CB-CD2 3.49Å; F128-Y167 VanDerWaalsContact CB-CD2 3.49Å; F128-Y167 HydrophobicContact CB-CE2 3.72Å; F128-Y167 HydrophobicContact CB-CG 4.23Å; F128-Y167 AromaticContact CD1-CD2 3.53Å; F128-Y167 HydrophobicContact CD1-CD2 3.53Å; F128-Y167 AromaticContact CD1-CG 3.93Å; F128-Y167 HydrophobicContact CD1-CG 3.93Å; F128-Y167 HydrophobicContact CD2-CD2 4.13Å; F128-Y167 HydrophobicContact CE1-CD2 4.29Å; F128-Y167 AromaticContact CG-CD2 3.44Å; F128-Y167 HydrophobicContact CG-CD2 3.44Å; F128-Y167 VanDerWaalsContact CG-CD2 3.44Å; F128-Y167 HydrophobicContact CG-CE2 4.06Å; F128-Y167 HydrophobicContact CG-CG 4.23Å; A131-Y167 HydrophobicContact CB-CD1 3.5Å; A131-Y167 HydrophobicContact CB-CE1 4.32Å; A131-Y167 HydrophobicContact CB-CG 3.93Å; E132-Y167 HydrophobicContact CB-CE1 3.7Å; E132-Y167 HydrophobicContact CG-CE1 4.46Å; E132-Y167 WeakPolarHBondContact OE2-CE1 3.34Å; E132-Y167 PolarHBondContact OE2-OH 3.06Å; L163-Y167 WeakPolarHBondContact O-CB 3.43Å; L163-Y167 PolarHBondContact O-N 3.49Å; V164-Y167 PolarHBondContact O-N 3.33Å; L165-Y167 VanDerWaalsContact C-N 3.3Å; L165-Y167 PolarHBondContact O-N 2.93Å; Y167-A169 VanDerWaalsContact C-N 3.27Å; Y167-A169 PolarHBondContact O-N 2.95Å; Y167-V170 PolarHBondContact O-N 3.43Å; Y167-A171 HydrophobicContact CD1-CB 4.18Å; Y167-A171 HydrophobicContact CE1-CB 3.72Å; Y167-A171 WeakPolarHBondContact O-CB 3.5Å; Y167-A171 PolarHBondContact O-N 2.84Å |
| 168 | L | 86.7 | Confident | 73 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.7 | -37.2 | -178.1 | -70.1 | 173.2 | 0 | 0 | 0 | 111.7 | R135 V164 L165 S172 I216 F218 M224 I429 | R135-L168 HydrophobicContact CB-CD2 3.81Å; R135-L168 HydrophobicContact CG-CD2 4.02Å; V164-L168 HydrophobicContact CG1-CD1 3.81Å; V164-L168 HydrophobicContact CG1-CG 4.32Å; V164-L168 VanDerWaalsContact O-CG 3.31Å; V164-L168 WeakPolarHBondContact O-CG 3.5Å; V164-L168 PolarHBondContact O-N 3.44Å; L165-L168 PolarHBondContact O-N 2.97Å; L168-S172 WeakPolarHBondContact O-CB 3.49Å; L168-S172 PolarHBondContact O-N 2.88Å; L168-S172 PolarHBondContact O-OG 2.84Å; L168-I216 HydrophobicContact CD1-CD1 3.66Å; L168-F218 HydrophobicContact CB-CZ 4.43Å; L168-F218 HydrophobicContact CD1-CZ 4.34Å; L168-F218 HydrophobicContact CD2-CZ 4.17Å; L168-M224 HydrophobicContact CB-SD 4.31Å; L168-I429 HydrophobicContact CD1-CD1 4.08Å; L168-I429 HydrophobicContact CD2-CD1 3.69Å |
| 169 | A | 79.1 | Confident | 71.9 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.1 | -50.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L165 Y167 A171 S172 S173 E183 M224 | L165-A169 WeakPolarHBondContact O-CB 3.19Å; L165-A169 PolarHBondContact O-N 3.43Å; Y167-A169 VanDerWaalsContact C-N 3.27Å; Y167-A169 PolarHBondContact O-N 2.95Å; A169-A171 PolarHBondContact O-N 2.83Å; A169-S172 WeakPolarHBondContact O-CB 3.31Å; A169-S172 PolarHBondContact O-N 3.26Å; A169-S172 VanDerWaalsContact O-N 3.17Å; A169-S173 PolarHBondContact O-N 3.36Å; A169-E183 HydrophobicContact CB-CB 3.86Å; A169-E183 HydrophobicContact CB-CG 3.49Å; A169-E183 VanDerWaalsContact CB-CG 3.49Å; A169-E183 WeakPolarHBondContact CB-OE1 3.37Å; A169-M224 HydrophobicContact CB-CE 3.57Å; A169-M224 HydrophobicContact CB-SD 4.44Å |
| 170 | V | 78.4 | Confident | 70.8 | Confident | 38 Ų | 38 | 59.5 Ų | 59.5 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 178.1 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | L112 Q166 Y167 S172 S173 | L112-V170 HydrophobicContact CB-CG1 4.12Å; L112-V170 HydrophobicContact CD1-CB 4.04Å; L112-V170 HydrophobicContact CD1-CG1 4.02Å; L112-V170 HydrophobicContact CD1-CG2 3.88Å; Q166-V170 PolarHBondContact O-N 2.75Å; Q166-V170 VanDerWaalsContact O-N 3.14Å; Y167-V170 PolarHBondContact O-N 3.43Å; V170-S172 VanDerWaalsContact C-N 3.29Å; V170-S172 PolarHBondContact O-N 3.49Å; V170-S173 WeakPolarHBondContact O-CB 3.32Å; V170-S173 PolarHBondContact O-N 2.97Å; V170-S173 PolarHBondContact O-OG 2.96Å |
| 171 | A | 77.9 | Confident | 69.8 | Low | 4 Ų | 4 | 67.3 Ų | 67.3 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.3 | -23.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R116 Y167 A169 | R116-A171 PolarHBondContact NE-O 3.01Å; R116-A171 PolarHBondContact NH2-O 3.34Å; Y167-A171 HydrophobicContact CD1-CB 4.18Å; Y167-A171 HydrophobicContact CE1-CB 3.72Å; Y167-A171 WeakPolarHBondContact O-CB 3.5Å; Y167-A171 PolarHBondContact O-N 2.84Å; A169-A171 PolarHBondContact O-N 2.83Å |
| 172 | S | 74.3 | Confident | 69.4 | Low | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -82.8 | -19.7 | 171.8 | -65.8 | 0 | 0 | 0 | 0 | 113.5 | L168 A169 V170 R174 G222 V223 M224 | L168-S172 WeakPolarHBondContact O-CB 3.49Å; L168-S172 PolarHBondContact O-N 2.88Å; L168-S172 PolarHBondContact O-OG 2.84Å; A169-S172 WeakPolarHBondContact O-CB 3.31Å; A169-S172 PolarHBondContact O-N 3.26Å; A169-S172 VanDerWaalsContact O-N 3.17Å; V170-S172 VanDerWaalsContact C-N 3.29Å; V170-S172 PolarHBondContact O-N 3.49Å; S172-R174 PolarHBondContact O-N 3.43Å; S172-G222 PolarHBondContact OG-O 3.08Å; S172-V223 WeakPolarHBondContact O-CG2 3.49Å; S172-M224 WeakPolarHBondContact OG-CG 3.48Å |
| 173 | S | 63 | Low | 68.8 | Low | 54 Ų | 54 | 63.8 Ų | 63.8 | 38% | 0.378 | 30% | 0.299 | S | S | . | . | trans | -63.5 | 129.4 | -176.8 | 73.2 | 0 | 0 | 0 | 0 | 112.1 | R116 A169 V170 | R116-S173 PolarHBondContact NH2-O 2.88Å; A169-S173 PolarHBondContact O-N 3.36Å; V170-S173 WeakPolarHBondContact O-CB 3.32Å; V170-S173 PolarHBondContact O-N 2.97Å; V170-S173 PolarHBondContact O-OG 2.96Å | ||
| 174 | R | 57.5 | Low | 68.2 | Low | 88 Ų | 88 | 68.1 Ų | 68.1 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | trans | -94.6 | 131.3 | 169.6 | -55.9 | -172.9 | -165.6 | -153 | 3.2 | 108 | S172 S176 R177 D219 E221 V223 | S172-R174 PolarHBondContact O-N 3.43Å; R174-S176 PolarHBondContact O-N 2.81Å; R174-R177 PolarHBondContact O-N 3.02Å; R174-D219 IonicContact NH2-OD2 3.56Å; R174-D219 PolarHBondContact NH2-OD2 2.99Å; R174-E221 IonicContact CZ-OE2 3.01Å; R174-E221 IonicContact NH1-OE2 3.24Å; R174-E221 PolarHBondContact NH1-OE2 3.48Å; R174-E221 IonicContact NH2-OE2 3.93Å; R174-E221 PolarHBondContact NH2-OE2 2.82Å; R174-V223 HydrophobicContact CG-CG2 4.01Å; R174-V223 VanDerWaalsContact NE-CG2 3.28Å | ||
| 175 | P | 49 | Very low | 67.8 | Low | 134 Ų | 134 | 68.8 Ų | 68.8 | 87% | 0.87 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 14.2 | -174.7 | 29.8 | -37.3 | 0 | 0 | 0 | 115.2 | ||
| 176 | S | 44.8 | Very low | 67.6 | Low | 112 Ų | 112 | 68.2 Ų | 68.2 | 78% | 0.783 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134 | 10.6 | -178.6 | 38 | 0 | 0 | 0 | 0 | 113.4 | R174 | R174-S176 PolarHBondContact O-N 2.81Š|
| 177 | R | 41.6 | Very low | 67.4 | Low | 200 Ų | 200 | 67.6 Ų | 67.6 | 76% | 0.755 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -128.2 | 143.3 | 165.3 | -89.5 | -177.7 | 166.4 | 170.5 | -4.4 | 109.1 | R174 | R174-R177 PolarHBondContact O-N 3.02Š|
| 178 | R | 41.8 | Very low | 67.1 | Low | 206 Ų | 206 | 70 Ų | 70 | 78% | 0.777 | 33% | 0.329 | S | S | * | . | trans | -56.4 | 155.2 | 168.2 | -74.3 | -179.4 | 169.8 | 179.1 | -6.6 | 109.9 | T180 | R178-T180 PolarHBondContact O-N 3.03Š| ||
| 179 | R | 49.5 | Very low | 67.2 | Low | 180 Ų | 180 | 70 Ų | 70 | 68% | 0.679 | 33% | 0.329 | S | S | * | . | trans | -44.8 | 137.4 | 176.4 | -90.6 | -177 | 166.7 | 142.9 | -2.9 | 111 | W181 E183 | R179-W181 PolarHBondContact O-N 2.9Å; R179-E183 IonicContact NE-OE2 3.87Å | ||
| 180 | T | 54.7 | Low | 67.5 | Low | 33 Ų | 33 | 70.8 Ų | 70.8 | 20% | 0.202 | 33% | 0.333 | C | S | . | . | trans | -76.7 | 110.3 | 170.7 | 42 | 0 | 0 | 0 | 0 | 108.8 | R178 I182 E183 | R178-T180 PolarHBondContact O-N 3.03Å; T180-I182 PolarHBondContact O-N 3.04Å; T180-E183 PolarHBondContact O-N 2.97Å | ||
| 181 | W | 67.8 | Low | 68 | Low | 167 Ų | 167 | 70 Ų | 70 | 63% | 0.633 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | -19 | 176.7 | -68 | 79.8 | 0 | 0 | 0 | 115 | R179 E183 E184 Q185 | R179-W181 PolarHBondContact O-N 2.9Å; W181-E183 PolarHBondContact O-N 3.27Å; W181-E184 WeakPolarHBondContact O-CB 3.4Å; W181-E184 PolarHBondContact O-N 3.16Å; W181-E184 VanDerWaalsContact O-N 3.16Å; W181-Q185 WeakPolarHBondContact O-CG 3.07Å; W181-Q185 PolarHBondContact O-N 2.83Å |
| 182 | I | 74.8 | Confident | 68.7 | Low | 14 Ų | 14 | 69.8 Ų | 69.8 | 7% | 0.072 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.3 | -31.6 | 171.9 | -158.5 | 74.8 | 0 | 0 | 0 | 113.2 | T180 I186 M224 L416 | T180-I182 PolarHBondContact O-N 3.04Å; I182-I186 HydrophobicContact CG1-CD1 4.17Å; I182-I186 VanDerWaalsContact O-CD1 3.25Å; I182-I186 WeakPolarHBondContact O-CD1 3.46Å; I182-I186 WeakPolarHBondContact O-CG1 3.04Å; I182-I186 PolarHBondContact O-N 3.29Å; I182-I186 VanDerWaalsContact O-N 3.11Å; I182-M224 HydrophobicContact CG2-CB 4.2Å; I182-M224 HydrophobicContact CG2-CE 3.87Å; I182-L416 HydrophobicContact CD1-CB 4.05Å; I182-L416 HydrophobicContact CD1-CD2 3.67Å; I182-L416 VanDerWaalsContact CD1-O 3.27Å; I182-L416 WeakPolarHBondContact CD1-O 3.32Å; I182-L416 HydrophobicContact CG1-CD2 4.42Å |
| 183 | E | 70 | Confident | 69.4 | Low | 27 Ų | 27 | 69.8 Ų | 69.8 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.3 | -52.2 | 173.9 | 174.7 | -178.7 | -166.1 | 0 | 0 | 110.2 | A169 R179 T180 W181 I186 L187 M224 | A169-E183 HydrophobicContact CB-CB 3.86Å; A169-E183 HydrophobicContact CB-CG 3.49Å; A169-E183 VanDerWaalsContact CB-CG 3.49Å; A169-E183 WeakPolarHBondContact CB-OE1 3.37Å; R179-E183 IonicContact NE-OE2 3.87Å; T180-E183 PolarHBondContact O-N 2.97Å; W181-E183 PolarHBondContact O-N 3.27Å; E183-I186 PolarHBondContact O-N 2.75Å; E183-L187 HydrophobicContact CG-CD1 4.41Å; E183-L187 WeakPolarHBondContact O-CG 3.22Å; E183-L187 PolarHBondContact O-N 3.08Å; E183-M224 HydrophobicContact CB-CE 4.36Å |
| 184 | E | 74.8 | Confident | 70.6 | Confident | 93 Ų | 93 | 69.1 Ų | 69.1 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -49 | -179.1 | -152.9 | 155.8 | -153.4 | 0 | 0 | 110 | W181 I186 L187 E188 | W181-E184 WeakPolarHBondContact O-CB 3.4Å; W181-E184 PolarHBondContact O-N 3.16Å; W181-E184 VanDerWaalsContact O-N 3.16Å; E184-I186 VanDerWaalsContact C-N 3.33Å; E184-I186 PolarHBondContact O-N 3.45Å; E184-L187 CarbonylContact O-C 3.53Å; E184-L187 WeakPolarHBondContact O-CA 3.39Å; E184-L187 WeakPolarHBondContact O-CB 3.05Å; E184-L187 PolarHBondContact O-N 2.98Å; E184-E188 WeakPolarHBondContact O-CG 3.45Å; E184-E188 PolarHBondContact O-N 2.92Å |
| 185 | Q | 82.5 | Confident | 72.2 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -32.1 | 177.8 | -68.7 | 170.3 | -38.9 | 0 | 0 | 114.1 | W181 L187 A189 L306 L416 | W181-Q185 WeakPolarHBondContact O-CG 3.07Å; W181-Q185 PolarHBondContact O-N 2.83Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-A189 PolarHBondContact O-N 3.4Å; Q185-A189 VanDerWaalsContact O-N 3.15Å; Q185-L306 HydrophobicContact CB-CD2 4.36Å; Q185-L416 HydrophobicContact CB-CD2 3.63Å |
| 186 | I | 79.6 | Confident | 74.4 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.9 | -28.1 | 174.3 | -62.8 | 160.3 | 0 | 0 | 0 | 111.3 | L165 I182 E183 E184 N190 T214 A227 L416 | L165-I186 HydrophobicContact CD1-CG2 3.81Å; L165-I186 HydrophobicContact CD2-CD1 4.36Å; L165-I186 HydrophobicContact CD2-CG2 3.76Å; L165-I186 HydrophobicContact CG-CG2 4.44Å; I182-I186 HydrophobicContact CG1-CD1 4.17Å; I182-I186 VanDerWaalsContact O-CD1 3.25Å; I182-I186 WeakPolarHBondContact O-CD1 3.46Å; I182-I186 WeakPolarHBondContact O-CG1 3.04Å; I182-I186 PolarHBondContact O-N 3.29Å; I182-I186 VanDerWaalsContact O-N 3.11Å; E183-I186 PolarHBondContact O-N 2.75Å; E184-I186 VanDerWaalsContact C-N 3.33Å; E184-I186 PolarHBondContact O-N 3.45Å; I186-N190 PolarHBondContact O-OD1 3.1Å; I186-T214 HydrophobicContact CG2-CG2 4.39Å; I186-A227 HydrophobicContact CD1-CB 3.53Å; I186-A227 HydrophobicContact CG1-CB 3.93Å; I186-L416 HydrophobicContact CG1-CD1 4.27Å; I186-L416 HydrophobicContact CG1-CD2 3.69Å |
| 187 | L | 78.7 | Confident | 76.4 | Confident | 45 Ų | 45 | 53.4 Ų | 53.4 | 24% | 0.236 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -78.2 | -44.5 | 175.9 | -66.1 | 171.6 | 0 | 0 | 0 | 111.6 | R162 E183 E184 Q185 A189 N190 | R162-L187 HydrophobicContact CG-CD2 3.61Å; E183-L187 HydrophobicContact CG-CD1 4.41Å; E183-L187 WeakPolarHBondContact O-CG 3.22Å; E183-L187 PolarHBondContact O-N 3.08Å; E184-L187 CarbonylContact O-C 3.53Å; E184-L187 WeakPolarHBondContact O-CA 3.39Å; E184-L187 WeakPolarHBondContact O-CB 3.05Å; E184-L187 PolarHBondContact O-N 2.98Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; L187-A189 PolarHBondContact O-N 2.95Å; L187-N190 WeakPolarHBondContact O-CB 3.15Å; L187-N190 PolarHBondContact O-N 3.05Å; L187-N190 PolarHBondContact O-ND2 3.08Å; L187-N190 VanDerWaalsContact O-ND2 3.15Å |
| 188 | E | 83.4 | Confident | 78.6 | Confident | 53 Ų | 53 | 44 Ų | 44 | 25% | 0.248 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.2 | -21.6 | 173.9 | -64.2 | -52.7 | 121.6 | 0 | 0 | 112.8 | E184 N190 P191 A302 V305 L306 | E184-E188 WeakPolarHBondContact O-CG 3.45Å; E184-E188 PolarHBondContact O-N 2.92Å; E188-N190 PolarHBondContact O-N 3.46Å; E188-P191 WeakPolarHBondContact O-CD 3.38Å; E188-A302 WeakPolarHBondContact O-CB 3.44Å; E188-V305 HydrophobicContact CB-CG1 4.45Å; E188-V305 HydrophobicContact CG-CB 4.28Å; E188-V305 HydrophobicContact CG-CG1 3.98Å; E188-L306 HydrophobicContact CB-CG 4.43Å |
| 189 | A | 88.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -18.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q185 L187 L193 I229 I412 | Q185-A189 PolarHBondContact O-N 3.4Å; Q185-A189 VanDerWaalsContact O-N 3.15Å; L187-A189 PolarHBondContact O-N 2.95Å; A189-L193 HydrophobicContact CB-CD1 4.33Å; A189-L193 VanDerWaalsContact O-CB 3.3Å; A189-L193 WeakPolarHBondContact O-CB 3.33Å; A189-L193 WeakPolarHBondContact O-CD1 3.43Å; A189-L193 WeakPolarHBondContact O-CG 3.26Å; A189-L193 PolarHBondContact O-N 3.02Å; A189-L193 VanDerWaalsContact O-N 3.07Å; A189-I229 HydrophobicContact CB-CD1 3.86Å; A189-I412 HydrophobicContact CB-CG2 3.91Å |
| 190 | N | 84.6 | Confident | 82.3 | Confident | 20 Ų | 20 | 26 Ų | 26 | 11% | 0.107 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.7 | -53.8 | -174.9 | -57.2 | -30.9 | 0 | 0 | 0 | 113 | I186 L187 E188 V192 L193 E194 R212 | I186-N190 PolarHBondContact O-OD1 3.1Å; L187-N190 WeakPolarHBondContact O-CB 3.15Å; L187-N190 PolarHBondContact O-N 3.05Å; L187-N190 PolarHBondContact O-ND2 3.08Å; L187-N190 VanDerWaalsContact O-ND2 3.15Å; E188-N190 PolarHBondContact O-N 3.46Å; N190-V192 VanDerWaalsContact C-N 3.25Å; N190-V192 PolarHBondContact O-N 3.29Å; N190-L193 PolarHBondContact O-N 2.98Å; N190-E194 WeakPolarHBondContact O-CG 3.46Å; N190-E194 PolarHBondContact O-N 2.82Å; N190-R212 VanDerWaalsContact OD1-CZ 3.31Å; N190-R212 PolarHBondContact OD1-NH1 2.95Å; N190-R212 PolarHBondContact OD1-NH2 2.6Å |
| 191 | P | 88.6 | Confident | 83.3 | Confident | 21 Ų | 21 | 25.3 Ų | 25.3 | 14% | 0.136 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -51.7 | -42.4 | 176 | -29.4 | 35.6 | 0 | 0 | 0 | 113.5 | E188 E194 A195 E298 A302 | E188-P191 WeakPolarHBondContact O-CD 3.38Å; P191-E194 PolarHBondContact O-N 3.35Å; P191-A195 VanDerWaalsContact O-CB 3.29Å; P191-A195 WeakPolarHBondContact O-CB 3.46Å; P191-A195 PolarHBondContact O-N 3.06Å; P191-E298 HydrophobicContact CB-CG 4.01Å; P191-E298 HydrophobicContact CG-CG 3.86Å; P191-A302 HydrophobicContact CB-CB 4.14Å; P191-A302 HydrophobicContact CG-CB 4.35Å |
| 192 | V | 92.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | 177 | -170 | 0 | 0 | 0 | 0 | 111.9 | N190 F196 L299 A302 M303 L306 I408 I412 | N190-V192 VanDerWaalsContact C-N 3.25Å; N190-V192 PolarHBondContact O-N 3.29Å; V192-F196 HydrophobicContact CG1-CD2 4.47Å; V192-F196 WeakPolarHBondContact O-CD2 3.33Å; V192-F196 PolarHBondContact O-N 3.43Å; V192-L299 HydrophobicContact CB-CD1 4.23Å; V192-L299 HydrophobicContact CG1-CD1 4.34Å; V192-L299 HydrophobicContact CG2-CD1 4.14Å; V192-A302 HydrophobicContact CG2-CB 3.87Å; V192-M303 HydrophobicContact CG1-CE 4.06Å; V192-M303 HydrophobicContact CG2-CG 4.07Å; V192-L306 HydrophobicContact CG2-CD1 3.83Å; V192-I408 HydrophobicContact CG1-CG2 3.63Å; V192-I412 HydrophobicContact CB-CD1 4.34Å; V192-I412 HydrophobicContact CG1-CD1 4.17Å |
| 193 | L | 89.5 | Confident | 82.9 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.8 | -34.3 | 178.9 | -75.3 | 169.7 | 0 | 0 | 0 | 112.9 | A189 N190 G197 F210 I229 F405 V409 | A189-L193 HydrophobicContact CB-CD1 4.33Å; A189-L193 VanDerWaalsContact O-CB 3.3Å; A189-L193 WeakPolarHBondContact O-CB 3.33Å; A189-L193 WeakPolarHBondContact O-CD1 3.43Å; A189-L193 WeakPolarHBondContact O-CG 3.26Å; A189-L193 PolarHBondContact O-N 3.02Å; A189-L193 VanDerWaalsContact O-N 3.07Å; N190-L193 PolarHBondContact O-N 2.98Å; L193-G197 VanDerWaalsContact O-CA 3.24Å; L193-G197 WeakPolarHBondContact O-CA 3.38Å; L193-G197 PolarHBondContact O-N 2.92Å; L193-F210 HydrophobicContact CB-CZ 4.13Å; L193-F210 HydrophobicContact CD2-CE2 4.28Å; L193-F210 HydrophobicContact CD2-CZ 4.25Å; L193-I229 HydrophobicContact CD1-CD1 3.92Å; L193-I229 HydrophobicContact CD1-CG2 4.14Å; L193-F405 HydrophobicContact CD2-CE2 4.19Å; L193-F405 HydrophobicContact CD2-CZ 4.17Å; L193-V409 HydrophobicContact CD2-CG2 3.67Å |
| 194 | E | 87.3 | Confident | 82.8 | Confident | 39 Ų | 39 | 28 Ų | 28 | 18% | 0.182 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -75.8 | -39.8 | 178.4 | -66.9 | -156.1 | -164.1 | 0 | 0 | 112.1 | N190 P191 F196 N198 N206 | N190-E194 WeakPolarHBondContact O-CG 3.46Å; N190-E194 PolarHBondContact O-N 2.82Å; P191-E194 PolarHBondContact O-N 3.35Å; E194-F196 PolarHBondContact O-N 2.85Å; E194-N198 VanDerWaalsContact CG-ND2 3.31Å; E194-N198 WeakPolarHBondContact CG-ND2 3.39Å; E194-N198 WeakPolarHBondContact O-CA 3.44Å; E194-N198 VanDerWaalsContact O-CB 3.25Å; E194-N198 WeakPolarHBondContact O-CB 3.41Å; E194-N198 PolarHBondContact O-N 2.77Å; E194-N198 PolarHBondContact OE2-ND2 3.23Å; E194-N198 VanDerWaalsContact OE2-ND2 3.12Å; E194-N206 PolarHBondContact OE2-ND2 3.14Å |
| 195 | A | 92.4 | Very high | 82.7 | Confident | 5 Ų | 5 | 24.7 Ų | 24.7 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.3 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P191 H250 V251 L299 | P191-A195 VanDerWaalsContact O-CB 3.29Å; P191-A195 WeakPolarHBondContact O-CB 3.46Å; P191-A195 PolarHBondContact O-N 3.06Å; A195-H250 PolarHBondContact O-N 2.84Å; A195-V251 HydrophobicContact CB-CB 4.11Å; A195-V251 WeakPolarHBondContact O-CB 3.35Å; A195-V251 PolarHBondContact O-N 2.87Å; A195-L299 HydrophobicContact CB-CD1 3.77Å; A195-L299 HydrophobicContact CB-CD2 3.97Å; A195-L299 HydrophobicContact CB-CG 4.42Å |
| 196 | F | 94.5 | Very high | 82.6 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -88.6 | -20.8 | -178.1 | -73.9 | -101.8 | 0 | 0 | 0 | 114.5 | V192 E194 F249 V251 L299 M303 I316 L320 Y401 L404 F405 I408 | V192-F196 HydrophobicContact CG1-CD2 4.47Å; V192-F196 WeakPolarHBondContact O-CD2 3.33Å; V192-F196 PolarHBondContact O-N 3.43Å; E194-F196 PolarHBondContact O-N 2.85Å; F196-F249 WeakPolarHBondContact O-CD1 3.25Å; F196-V251 HydrophobicContact CD1-CG1 4.02Å; F196-V251 HydrophobicContact CD2-CB 4.26Å; F196-V251 HydrophobicContact CD2-CG1 4.49Å; F196-V251 HydrophobicContact CD2-CG2 4.17Å; F196-V251 HydrophobicContact CE1-CG1 4.19Å; F196-V251 HydrophobicContact CE1-CG2 4.2Å; F196-V251 HydrophobicContact CE2-CB 4.28Å; F196-V251 HydrophobicContact CE2-CG2 3.69Å; F196-V251 HydrophobicContact CG-CB 4.42Å; F196-V251 HydrophobicContact CG-CG1 4.17Å; F196-V251 HydrophobicContact CZ-CB 4.46Å; F196-V251 HydrophobicContact CZ-CG2 3.7Å; F196-L299 HydrophobicContact CE2-CD1 4.32Å; F196-L299 HydrophobicContact CE2-CD2 4.42Å; F196-M303 HydrophobicContact CE2-CE 3.65Å; F196-M303 HydrophobicContact CZ-CE 4.07Å; F196-I316 HydrophobicContact CE1-CG2 4.01Å; F196-I316 HydrophobicContact CZ-CG2 3.52Å; F196-L320 HydrophobicContact CE1-CD1 3.93Å; F196-L320 HydrophobicContact CE1-CD2 4.23Å; F196-L320 HydrophobicContact CE1-CG 4.44Å; F196-L320 HydrophobicContact CZ-CD1 4.06Å; F196-Y401 WeakPolarHBondContact CA-OH 3.43Å; F196-Y401 HydrophobicContact CD1-CE2 4.43Å; F196-Y401 PolarHBondContact O-OH 2.85Å; F196-L404 HydrophobicContact CE1-CD2 4.21Å; F196-L404 HydrophobicContact CE1-CG 4.39Å; F196-F405 HydrophobicContact CB-CD2 3.64Å; F196-F405 HydrophobicContact CB-CE2 3.88Å; F196-I408 HydrophobicContact CD1-CD1 3.74Å; F196-I408 HydrophobicContact CD2-CD1 4.3Å; F196-I408 HydrophobicContact CE1-CD1 3.42Å; F196-I408 VanDerWaalsContact CE1-CD1 3.42Å; F196-I408 HydrophobicContact CE2-CD1 4.03Å; F196-I408 HydrophobicContact CG-CD1 4.17Å; F196-I408 HydrophobicContact CZ-CD1 3.59Å |
| 197 | G | 88.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -112.7 | -17.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L193 R209 F210 | L193-G197 VanDerWaalsContact O-CA 3.24Å; L193-G197 WeakPolarHBondContact O-CA 3.38Å; L193-G197 PolarHBondContact O-N 2.92Å; G197-R209 PolarHBondContact O-N 2.96Å; G197-F210 WeakPolarHBondContact O-CD1 3.49Å |
| 198 | N | 87.4 | Confident | 82.1 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.011 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 157.3 | 178.7 | -57.3 | 2.7 | 0 | 0 | 0 | 111.6 | E194 N206 S207 S208 F249 H250 | E194-N198 VanDerWaalsContact CG-ND2 3.31Å; E194-N198 WeakPolarHBondContact CG-ND2 3.39Å; E194-N198 WeakPolarHBondContact O-CA 3.44Å; E194-N198 VanDerWaalsContact O-CB 3.25Å; E194-N198 WeakPolarHBondContact O-CB 3.41Å; E194-N198 PolarHBondContact O-N 2.77Å; E194-N198 PolarHBondContact OE2-ND2 3.23Å; E194-N198 VanDerWaalsContact OE2-ND2 3.12Å; N198-N206 WeakPolarHBondContact CB-OD1 3.35Å; N198-N206 PolarHBondContact ND2-OD1 2.72Å; N198-S207 WeakPolarHBondContact CA-O 3.4Å; N198-S208 PolarHBondContact ND2-OG 3.47Å; N198-S208 WeakPolarHBondContact OD1-CA 3.44Å; N198-S208 VanDerWaalsContact OD1-CB 3.27Å; N198-S208 WeakPolarHBondContact OD1-CB 3.21Å; N198-S208 PolarHBondContact OD1-OG 2.88Å; N198-F249 WeakPolarHBondContact O-CA 3.25Å; N198-H250 PolarHBondContact O-CD2 3.25Å; N198-H250 PolarHBondContact O-N 3.16Å |
| 199 | A | 85.4 | Confident | 82 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 160.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S207 R209 R238 N248 H250 | A199-S207 PolarHBondContact N-O 2.81Å; A199-S207 PolarHBondContact O-N 3.09Å; A199-R209 HydrophobicContact CB-CG 4Å; A199-R238 VanDerWaalsContact CB-CD 3.43Å; A199-N248 WeakPolarHBondContact CB-O 3.45Å; A199-H250 WeakPolarHBondContact CA-NE2 3.32Å |
| 200 | K | 84.1 | Confident | 81.6 | Confident | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.039 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.2 | 168.6 | 164.3 | 168.2 | 165.8 | -177.4 | 0 | 110.5 | D205 R245 E246 R247 D284 I286 A287 | K200-D205 WeakPolarHBondContact CA-O 3.45Å; K200-D205 WeakPolarHBondContact CB-O 3.33Å; K200-R245 WeakPolarHBondContact CE-O 3.46Å; K200-E246 WeakPolarHBondContact O-CA 3.46Å; K200-E246 WeakPolarHBondContact O-CB 3.36Å; K200-R247 HydrophobicContact CB-CB 3.99Å; K200-R247 HydrophobicContact CB-CG 3.91Å; K200-R247 HydrophobicContact CD-CG 4.2Å; K200-R247 HydrophobicContact CG-CG 4.31Å; K200-R247 PolarHBondContact O-N 2.97Å; K200-D284 WeakPolarHBondContact CE-OD2 3.42Å; K200-D284 IonicContact NZ-OD1 3.73Å; K200-D284 PolarHBondContact NZ-OD1 3.48Å; K200-D284 IonicContact NZ-OD2 3.09Å; K200-D284 PolarHBondContact NZ-OD2 3.33Å; K200-I286 WeakPolarHBondContact CD-O 3.28Å; K200-I286 PolarHBondContact NZ-O 2.92Å; K200-A287 HydrophobicContact CD-CB 4.26Å |
| 201 | T | 74.3 | Confident | 81 | Confident | 17 Ų | 17 | 29 Ų | 29 | 10% | 0.104 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 166.8 | 172.8 | 62.5 | 0 | 0 | 0 | 0 | 109.9 | R203 N204 E246 | T201-R203 PolarHBondContact O-N 2.98Å; T201-N204 PolarHBondContact N-O 2.92Å; T201-N204 PolarHBondContact O-N 3.15Å; T201-N204 PolarHBondContact OG1-N 3Å; T201-N204 PolarHBondContact OG1-O 3.49Å; T201-E246 WeakPolarHBondContact CA-OE1 3.43Å; T201-E246 WeakPolarHBondContact CB-OE1 3.49Å |
| 202 | C | 69.8 | Low | 80.5 | Confident | 84 Ų | 84 | 29.9 Ų | 29.9 | 57% | 0.568 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -8.4 | 179.6 | -60.1 | 0 | 0 | 0 | 0 | 115.9 | L244 | C202-L244 PolarHBondContact SG-O 2.94Å; C202-L244 VanDerWaalsContact SG-O 3.4Å |
| 203 | R | 64.5 | Low | 80 | Confident | 160 Ų | 160 | 30 Ų | 30 | 60% | 0.604 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | -14.7 | 176.9 | -69.3 | -170.9 | 179.9 | -168.9 | -3.9 | 114.8 | E152 T201 | E152-R203 IonicContact OE1-NH1 3.65Å; E152-R203 PolarHBondContact OE1-NH1 2.77Å; T201-R203 PolarHBondContact O-N 2.98Å |
| 204 | N | 67.6 | Low | 79.9 | Confident | 21 Ų | 21 | 30.1 Ų | 30.1 | 11% | 0.112 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 120.9 | -177.9 | 178.4 | 15.1 | 0 | 0 | 0 | 111 | S153 T201 N206 S207 | S153-N204 PolarHBondContact OG-ND2 3.1Å; T201-N204 PolarHBondContact N-O 2.92Å; T201-N204 PolarHBondContact O-N 3.15Å; T201-N204 PolarHBondContact OG1-N 3Å; T201-N204 PolarHBondContact OG1-O 3.49Å; N204-N206 VanDerWaalsContact C-N 3.28Å; N204-N206 PolarHBondContact ND2-O 2.73Å; N204-N206 PolarHBondContact O-N 2.79Å; N204-N206 PolarHBondContact OD1-N 2.76Å; N204-N206 PolarHBondContact OD1-O 2.71Å; N204-S207 WeakPolarHBondContact ND2-CA 3.26Å |
| 205 | D | 73.6 | Confident | 79.9 | Confident | 24 Ų | 24 | 29.3 Ų | 29.3 | 13% | 0.128 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | -20.4 | 179.8 | -50.2 | -93.8 | 0 | 0 | 0 | 114.7 | K200 H250 A287 Y288 K609 | K200-D205 WeakPolarHBondContact CA-O 3.45Å; K200-D205 WeakPolarHBondContact CB-O 3.33Å; D205-H250 PolarHBondContact O-CE1 3.43Å; D205-H250 PolarHBondContact O-NE2 3.49Å; D205-A287 HydrophobicContact CB-CB 4.22Å; D205-Y288 PolarHBondContact OD1-N 2.77Å; D205-K609 IonicContact OD2-NZ 2.89Å; D205-K609 PolarHBondContact OD2-NZ 2.98Å |
| 206 | N | 79.9 | Confident | 79.7 | Confident | 52 Ų | 52 | 29.1 Ų | 29.1 | 28% | 0.278 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 75.3 | 174.3 | -174.5 | 17.5 | 0 | 0 | 0 | 109.2 | E194 N198 N204 R290 | E194-N206 PolarHBondContact OE2-ND2 3.14Å; N198-N206 WeakPolarHBondContact CB-OD1 3.35Å; N198-N206 PolarHBondContact ND2-OD1 2.72Å; N204-N206 VanDerWaalsContact C-N 3.28Å; N204-N206 PolarHBondContact ND2-O 2.73Å; N204-N206 PolarHBondContact O-N 2.79Å; N204-N206 PolarHBondContact OD1-N 2.76Å; N204-N206 PolarHBondContact OD1-O 2.71Å; N206-R290 PolarHBondContact ND2-NH1 3.03Å; N206-R290 PolarHBondContact OD1-NH1 3.45Å |
| 207 | S | 74.1 | Confident | 79.4 | Confident | 7 Ų | 7 | 31 Ų | 31 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.8 | 179.2 | -168.2 | 0 | 0 | 0 | 0 | 110.8 | S153 N198 A199 N204 R209 | S153-S207 PolarHBondContact OG-OG 3.24Å; N198-S207 WeakPolarHBondContact CA-O 3.4Å; A199-S207 PolarHBondContact N-O 2.81Å; A199-S207 PolarHBondContact O-N 3.09Å; N204-S207 WeakPolarHBondContact ND2-CA 3.26Å; S207-R209 WeakPolarHBondContact O-CG 3.48Å; S207-R209 PolarHBondContact O-N 2.62Å |
| 208 | S | 74.4 | Confident | 79.2 | Confident | 47 Ų | 47 | 31.1 Ų | 31.1 | 33% | 0.329 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 131.4 | 168.3 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | N198 | N198-S208 PolarHBondContact ND2-OG 3.47Å; N198-S208 WeakPolarHBondContact OD1-CA 3.44Å; N198-S208 VanDerWaalsContact OD1-CB 3.27Å; N198-S208 WeakPolarHBondContact OD1-CB 3.21Å; N198-S208 PolarHBondContact OD1-OG 2.88Å |
| 209 | R | 80.3 | Confident | 78.6 | Confident | 75 Ų | 75 | 33.1 Ų | 33.1 | 28% | 0.283 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -115 | 27.5 | 177.6 | -50.2 | -54.2 | -60 | 153.6 | -4.9 | 111.2 | G197 A199 S207 L234 E235 F249 | G197-R209 PolarHBondContact O-N 2.96Å; A199-R209 HydrophobicContact CB-CG 4Å; S207-R209 WeakPolarHBondContact O-CG 3.48Å; S207-R209 PolarHBondContact O-N 2.62Å; R209-L234 CarbonylContact O-C 3.26Å; R209-L234 WeakPolarHBondContact O-CA 3.35Å; R209-E235 HydrophobicContact CB-CB 3.9Å; R209-E235 IonicContact CZ-OE1 3.61Å; R209-E235 IonicContact CZ-OE2 3.78Å; R209-E235 IonicContact NE-OE1 2.69Å; R209-E235 IonicContact NE-OE2 2.76Å; R209-E235 PolarHBondContact NE-OE2 3.38Å; R209-E235 VanDerWaalsContact NH2-CD 3.28Å; R209-E235 IonicContact NH2-OE1 3.67Å; R209-E235 PolarHBondContact NH2-OE1 3.22Å; R209-E235 IonicContact NH2-OE2 3.24Å; R209-E235 PolarHBondContact NH2-OE2 3.28Å; R209-E235 PolarHBondContact O-N 3.1Å; R209-F249 HydrophobicContact CB-CE1 3.99Å; R209-F249 HydrophobicContact CB-CZ 4.4Å; R209-F249 HydrophobicContact CG-CE1 4.48Å |
| 210 | F | 79.9 | Confident | 78 | Confident | 23 Ų | 23 | 37.2 Ų | 37.2 | 10% | 0.101 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -147.4 | 154.6 | 170.6 | 76.3 | -68.3 | 0 | 0 | 0 | 108.2 | L193 G197 R212 P231 Y232 L234 F405 | L193-F210 HydrophobicContact CB-CZ 4.13Å; L193-F210 HydrophobicContact CD2-CE2 4.28Å; L193-F210 HydrophobicContact CD2-CZ 4.25Å; G197-F210 WeakPolarHBondContact O-CD1 3.49Å; F210-R212 HydrophobicContact CE2-CB 3.92Å; F210-R212 HydrophobicContact CE2-CG 4.48Å; F210-R212 HydrophobicContact CZ-CB 4.47Å; F210-P231 HydrophobicContact CD2-CB 4.41Å; F210-Y232 CarbonylContact C-O 3.43Å; F210-Y232 WeakPolarHBondContact CA-O 3.45Å; F210-L234 HydrophobicContact CB-CB 4.31Å; F210-L234 HydrophobicContact CB-CD1 4.07Å; F210-F405 HydrophobicContact CD1-CZ 4.34Å; F210-F405 HydrophobicContact CD2-CE1 4.1Å; F210-F405 AromaticContact CD2-CZ 3.84Å; F210-F405 HydrophobicContact CD2-CZ 3.84Å; F210-F405 HydrophobicContact CE1-CZ 4.47Å; F210-F405 AromaticContact CE2-CZ 3.98Å; F210-F405 HydrophobicContact CE2-CZ 3.98Å; F210-F405 HydrophobicContact CG-CE1 4.31Å; F210-F405 HydrophobicContact CG-CZ 4.04Å; F210-F405 HydrophobicContact CZ-CZ 4.31Å |
| 211 | G | 71.7 | Confident | 77.3 | Confident | 20 Ų | 20 | 43 Ų | 43 | 21% | 0.206 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 144.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y232 | G211-Y232 PolarHBondContact N-O 3.12Å; G211-Y232 PolarHBondContact O-N 2.92Å |
| 212 | R | 78.3 | Confident | 77.2 | Confident | 41 Ų | 41 | 42.2 Ų | 42.2 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.1 | -179.9 | -179.9 | 177.9 | 173.2 | 173.5 | -1.2 | 110.7 | N190 F210 T214 I229 D433 | N190-R212 VanDerWaalsContact OD1-CZ 3.31Å; N190-R212 PolarHBondContact OD1-NH1 2.95Å; N190-R212 PolarHBondContact OD1-NH2 2.6Å; F210-R212 HydrophobicContact CE2-CB 3.92Å; F210-R212 HydrophobicContact CE2-CG 4.48Å; F210-R212 HydrophobicContact CZ-CB 4.47Å; R212-T214 PolarHBondContact NE-OG1 3.2Å; R212-T214 VanDerWaalsContact NE-OG1 3.09Å; R212-I229 HydrophobicContact CG-CG2 4.08Å; R212-D433 PolarHBondContact O-N 3.24Å |
| 213 | Y | 83.5 | Confident | 77.6 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137.7 | 161.8 | -169.8 | -134.2 | 0 | 0 | 0 | 109.1 | D215 I229 E230 I431 L432 R595 | Y213-D215 HydrophobicContact CE1-CB 4.16Å; Y213-I229 CarbonylContact O-C 3.53Å; Y213-I229 WeakPolarHBondContact O-CA 3.32Å; Y213-E230 PolarHBondContact N-O 2.84Å; Y213-E230 PolarHBondContact O-N 3.07Å; Y213-I431 WeakPolarHBondContact CA-O 3.34Å; Y213-I431 WeakPolarHBondContact CD2-O 3.21Å; Y213-L432 HydrophobicContact CD2-CB 3.72Å; Y213-L432 HydrophobicContact CD2-CD1 3.73Å; Y213-L432 HydrophobicContact CD2-CD2 4.47Å; Y213-L432 HydrophobicContact CD2-CG 4.16Å; Y213-L432 HydrophobicContact CE2-CB 4.04Å; Y213-L432 HydrophobicContact CG-CD1 4.2Å; Y213-R595 WeakPolarHBondContact OH-CD 3.39Å; Y213-R595 PolarHBondContact OH-NE 3.39Å; Y213-R595 PolarHBondContact OH-NH1 2.62Å; Y213-R595 PolarHBondContact OH-NH2 3.29Å |
| 214 | T | 87.3 | Confident | 78.4 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 102.6 | 176 | -59.1 | 0 | 0 | 0 | 0 | 108.7 | I186 R212 I216 R228 I229 G430 I431 | I186-T214 HydrophobicContact CG2-CG2 4.39Å; R212-T214 PolarHBondContact NE-OG1 3.2Å; R212-T214 VanDerWaalsContact NE-OG1 3.09Å; T214-I216 HydrophobicContact CG2-CG1 4.49Å; T214-R228 CarbonylContact C-O 3.52Å; T214-R228 WeakPolarHBondContact CA-O 3.38Å; T214-I229 HydrophobicContact CG2-CG1 4.1Å; T214-G430 CarbonylContact O-C 3.33Å; T214-I431 PolarHBondContact N-O 2.94Å; T214-I431 PolarHBondContact O-N 2.99Å |
| 215 | D | 87.6 | Confident | 78.8 | Confident | 23 Ų | 23 | 33 Ų | 33 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 119.8 | 179.4 | -161.2 | 28.1 | 0 | 0 | 0 | 110.8 | Y213 A227 R228 S428 I429 G430 R595 | Y213-D215 HydrophobicContact CE1-CB 4.16Å; D215-A227 CarbonylContact O-C 3.5Å; D215-A227 VanDerWaalsContact O-CA 3.31Å; D215-A227 WeakPolarHBondContact O-CA 3.46Å; D215-R228 PolarHBondContact N-O 2.72Å; D215-R228 PolarHBondContact O-N 3.34Å; D215-S428 VanDerWaalsContact CG-OG 3.31Å; D215-S428 WeakPolarHBondContact OD1-CB 3.18Å; D215-S428 PolarHBondContact OD1-OG 3.41Å; D215-S428 WeakPolarHBondContact OD2-CB 3.31Å; D215-S428 PolarHBondContact OD2-OG 3.05Å; D215-I429 VanDerWaalsContact OD1-C 3.22Å; D215-G430 PolarHBondContact OD1-N 3.04Å; D215-G430 VanDerWaalsContact OD1-N 3.13Å; D215-R595 VanDerWaalsContact CG-NH2 3.31Å; D215-R595 IonicContact OD1-CZ 3.68Å; D215-R595 IonicContact OD1-NH1 2.71Å; D215-R595 PolarHBondContact OD1-NH1 2.8Å; D215-R595 IonicContact OD1-NH2 3.47Å; D215-R595 IonicContact OD2-CZ 2.79Å; D215-R595 IonicContact OD2-NH1 3.95Å; D215-R595 PolarHBondContact OD2-NH1 3.39Å; D215-R595 IonicContact OD2-NH2 2.72Å; D215-R595 PolarHBondContact OD2-NH2 2.98Å |
| 216 | I | 88.4 | Confident | 79.3 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.7 | -175.3 | -53.3 | 164.1 | 0 | 0 | 0 | 107.9 | L165 L168 T214 F218 M224 S428 I429 I431 | L165-I216 HydrophobicContact CD2-CD1 3.56Å; L165-I216 HydrophobicContact CD2-CG1 4.29Å; L168-I216 HydrophobicContact CD1-CD1 3.66Å; T214-I216 HydrophobicContact CG2-CG1 4.49Å; I216-F218 HydrophobicContact CB-CE2 3.93Å; I216-F218 HydrophobicContact CB-CZ 4.33Å; I216-F218 HydrophobicContact CG2-CD2 4.42Å; I216-F218 HydrophobicContact CG2-CE2 3.64Å; I216-F218 HydrophobicContact CG2-CZ 3.69Å; I216-F218 WeakPolarHBondContact O-CD2 3.29Å; I216-F218 VanDerWaalsContact O-CE2 3.3Å; I216-F218 WeakPolarHBondContact O-CE2 3.22Å; I216-M224 HydrophobicContact CG2-CB 4.36Å; I216-M224 HydrophobicContact CG2-CG 3.77Å; I216-M224 HydrophobicContact CG2-SD 3.75Å; I216-S428 CarbonylContact O-C 3.51Å; I216-S428 WeakPolarHBondContact O-CA 3.19Å; I216-S428 WeakPolarHBondContact O-CB 3.35Å; I216-I429 PolarHBondContact N-O 3.46Å; I216-I429 PolarHBondContact O-N 3.35Å; I216-I431 HydrophobicContact CD1-CD1 3.71Å; I216-I431 HydrophobicContact CD1-CG1 4.18Å |
| 217 | C | 87 | Confident | 79.7 | Confident | 39 Ų | 39 | 30.2 Ų | 30.2 | 26% | 0.264 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133.4 | -178.4 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | M224 E225 S226 | C217-M224 WeakPolarHBondContact O-CA 3.49Å; C217-E225 PolarHBondContact O-N 2.99Å; C217-S226 WeakPolarHBondContact CB-O 3.4Å; C217-S226 WeakPolarHBondContact CB-OG 3.49Å; C217-S226 PolarHBondContact N-O 3.39Å |
| 218 | F | 83.6 | Confident | 80.3 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 146.3 | 179 | -63.2 | -98.5 | 0 | 0 | 0 | 111.4 | R135 V138 L168 I216 V223 M224 G426 G427 I429 | R135-F218 HydrophobicContact CG-CE1 4.39Å; V138-F218 HydrophobicContact CG1-CD2 4.44Å; L168-F218 HydrophobicContact CB-CZ 4.43Å; L168-F218 HydrophobicContact CD1-CZ 4.34Å; L168-F218 HydrophobicContact CD2-CZ 4.17Å; I216-F218 HydrophobicContact CB-CE2 3.93Å; I216-F218 HydrophobicContact CB-CZ 4.33Å; I216-F218 HydrophobicContact CG2-CD2 4.42Å; I216-F218 HydrophobicContact CG2-CE2 3.64Å; I216-F218 HydrophobicContact CG2-CZ 3.69Å; I216-F218 WeakPolarHBondContact O-CD2 3.29Å; I216-F218 VanDerWaalsContact O-CE2 3.3Å; I216-F218 WeakPolarHBondContact O-CE2 3.22Å; F218-V223 CarbonylContact C-O 3Å; F218-V223 VanDerWaalsContact CA-O 3.31Å; F218-V223 WeakPolarHBondContact CA-O 3.5Å; F218-M224 HydrophobicContact CD1-CG 4.08Å; F218-M224 HydrophobicContact CE1-CG 3.56Å; F218-M224 HydrophobicContact CZ-CG 4Å; F218-G426 WeakPolarHBondContact O-CA 3.48Å; F218-G427 PolarHBondContact N-O 2.58Å; F218-G427 VanDerWaalsContact N-O 3.1Å; F218-I429 HydrophobicContact CD2-CD1 4.45Å; F218-I429 HydrophobicContact CD2-CG1 4.27Å; F218-I429 HydrophobicContact CE2-CB 3.99Å; F218-I429 HydrophobicContact CE2-CD1 3.54Å; F218-I429 HydrophobicContact CE2-CG1 3.56Å; F218-I429 HydrophobicContact CZ-CD1 3.69Å; F218-I429 HydrophobicContact CZ-CG1 4.24Å |
| 219 | D | 75.5 | Confident | 81 | Confident | 44 Ų | 44 | 34.1 Ų | 34.1 | 24% | 0.235 | 17% | 0.174 | C | C | . | . | trans | -66.9 | 170 | 167.6 | 78.2 | 6.6 | 0 | 0 | 0 | 111.2 | R174 E221 G222 V223 | R174-D219 IonicContact NH2-OD2 3.56Å; R174-D219 PolarHBondContact NH2-OD2 2.99Å; D219-E221 PolarHBondContact O-N 2.74Å; D219-E221 VanDerWaalsContact OD1-CA 3.31Å; D219-E221 WeakPolarHBondContact OD1-CA 3.35Å; D219-E221 PolarHBondContact OD1-N 3.14Å; D219-G222 PolarHBondContact O-N 3.13Å; D219-G222 VanDerWaalsContact O-N 3.12Å; D219-G222 PolarHBondContact OD1-N 3.24Å; D219-V223 PolarHBondContact N-O 3.36Å; D219-V223 PolarHBondContact OD1-N 3.33Å | ||
| 220 | S | 72.4 | Confident | 81.2 | Confident | 85 Ų | 85 | 31.8 Ų | 31.8 | 59% | 0.594 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 0.2 | 179.3 | 58.1 | 0 | 0 | 0 | 0 | 115 | ||
| 221 | E | 70.2 | Confident | 81.3 | Confident | 130 Ų | 130 | 33 Ų | 33 | 61% | 0.607 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | 3.3 | 177.8 | -61.6 | -176.6 | 164.1 | 0 | 0 | 112.1 | R174 D219 | R174-E221 IonicContact CZ-OE2 3.01Å; R174-E221 IonicContact NH1-OE2 3.24Å; R174-E221 PolarHBondContact NH1-OE2 3.48Å; R174-E221 IonicContact NH2-OE2 3.93Å; R174-E221 PolarHBondContact NH2-OE2 2.82Å; D219-E221 PolarHBondContact O-N 2.74Å; D219-E221 VanDerWaalsContact OD1-CA 3.31Å; D219-E221 WeakPolarHBondContact OD1-CA 3.35Å; D219-E221 PolarHBondContact OD1-N 3.14Å |
| 222 | G | 72.7 | Confident | 81.5 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 88.6 | 27 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116 | S172 D219 | S172-G222 PolarHBondContact OG-O 3.08Å; D219-G222 PolarHBondContact O-N 3.13Å; D219-G222 VanDerWaalsContact O-N 3.12Å; D219-G222 PolarHBondContact OD1-N 3.24Å |
| 223 | V | 77.5 | Confident | 81.2 | Confident | 20 Ų | 20 | 34.8 Ų | 34.8 | 12% | 0.121 | 18% | 0.182 | C | C | . | . | trans | -107 | 136.6 | 174.6 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | S172 R174 F218 D219 E225 | S172-V223 WeakPolarHBondContact O-CG2 3.49Å; R174-V223 HydrophobicContact CG-CG2 4.01Å; R174-V223 VanDerWaalsContact NE-CG2 3.28Å; F218-V223 CarbonylContact C-O 3Å; F218-V223 VanDerWaalsContact CA-O 3.31Å; F218-V223 WeakPolarHBondContact CA-O 3.5Å; D219-V223 PolarHBondContact N-O 3.36Å; D219-V223 PolarHBondContact OD1-N 3.33Å; V223-E225 PolarHBondContact O-N 3.18Å | ||
| 224 | M | 80.7 | Confident | 81.2 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 123.6 | 174.1 | -56.9 | -175.2 | -44.2 | 0 | 0 | 112 | L168 A169 S172 I182 E183 I216 C217 F218 | L168-M224 HydrophobicContact CB-SD 4.31Å; A169-M224 HydrophobicContact CB-CE 3.57Å; A169-M224 HydrophobicContact CB-SD 4.44Å; S172-M224 WeakPolarHBondContact OG-CG 3.48Å; I182-M224 HydrophobicContact CG2-CB 4.2Å; I182-M224 HydrophobicContact CG2-CE 3.87Å; E183-M224 HydrophobicContact CB-CE 4.36Å; I216-M224 HydrophobicContact CG2-CB 4.36Å; I216-M224 HydrophobicContact CG2-CG 3.77Å; I216-M224 HydrophobicContact CG2-SD 3.75Å; C217-M224 WeakPolarHBondContact O-CA 3.49Å; F218-M224 HydrophobicContact CD1-CG 4.08Å; F218-M224 HydrophobicContact CE1-CG 3.56Å; F218-M224 HydrophobicContact CZ-CG 4Å |
| 225 | E | 77.3 | Confident | 80.8 | Confident | 45 Ų | 45 | 38.1 Ų | 38.1 | 21% | 0.21 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -43.6 | -179.6 | -177.6 | 173.5 | -163.6 | 0 | 0 | 112.1 | C217 V223 | C217-E225 PolarHBondContact O-N 2.99Å; V223-E225 PolarHBondContact O-N 3.18Å |
| 226 | S | 83.7 | Confident | 80.6 | Confident | 14 Ų | 14 | 38.8 Ų | 38.8 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 166.1 | -178.7 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | C217 L416 | C217-S226 WeakPolarHBondContact CB-O 3.4Å; C217-S226 WeakPolarHBondContact CB-OG 3.49Å; C217-S226 PolarHBondContact N-O 3.39Å; S226-L416 VanDerWaalsContact CA-O 3.28Å; S226-L416 WeakPolarHBondContact CA-O 3.44Å; S226-L416 WeakPolarHBondContact CB-O 3.39Å |
| 227 | A | 86.8 | Confident | 80.3 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 161.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I186 D215 L416 | I186-A227 HydrophobicContact CD1-CB 3.53Å; I186-A227 HydrophobicContact CG1-CB 3.93Å; D215-A227 CarbonylContact O-C 3.5Å; D215-A227 VanDerWaalsContact O-CA 3.31Å; D215-A227 WeakPolarHBondContact O-CA 3.46Å; A227-L416 HydrophobicContact CB-CB 4.48Å; A227-L416 HydrophobicContact CB-CD1 4.36Å; A227-L416 PolarHBondContact N-O 2.72Å; A227-L416 VanDerWaalsContact O-CB 3.25Å; A227-L416 WeakPolarHBondContact O-CB 3.37Å |
| 228 | R | 88.1 | Confident | 80.3 | Confident | 135 Ų | 135 | 39.2 Ų | 39.2 | 51% | 0.509 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 124.7 | 175.6 | -172 | 171.5 | 175.5 | -117.4 | -14.2 | 110.7 | T214 D215 E230 N413 | T214-R228 CarbonylContact C-O 3.52Å; T214-R228 WeakPolarHBondContact CA-O 3.38Å; D215-R228 PolarHBondContact N-O 2.72Å; D215-R228 PolarHBondContact O-N 3.34Å; R228-E230 IonicContact CZ-OE1 3.49Å; R228-E230 IonicContact NH1-OE1 3.41Å; R228-E230 PolarHBondContact NH1-OE1 3.07Å; R228-E230 IonicContact NH2-OE1 2.69Å; R228-E230 PolarHBondContact NH2-OE1 3.21Å; R228-N413 WeakPolarHBondContact CA-OD1 3.42Å |
| 229 | I | 88.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 119.8 | 175.1 | -57.5 | 177.9 | 0 | 0 | 0 | 108.1 | A189 L193 R212 Y213 T214 V409 I412 N413 L416 | A189-I229 HydrophobicContact CB-CD1 3.86Å; L193-I229 HydrophobicContact CD1-CD1 3.92Å; L193-I229 HydrophobicContact CD1-CG2 4.14Å; R212-I229 HydrophobicContact CG-CG2 4.08Å; Y213-I229 CarbonylContact O-C 3.53Å; Y213-I229 WeakPolarHBondContact O-CA 3.32Å; T214-I229 HydrophobicContact CG2-CG1 4.1Å; I229-V409 HydrophobicContact CB-CG1 4.24Å; I229-V409 HydrophobicContact CG2-CG1 4.11Å; I229-V409 WeakPolarHBondContact O-CG1 3.44Å; I229-I412 HydrophobicContact CD1-CG2 4.14Å; I229-N413 PolarHBondContact N-OD1 3.29Å; I229-N413 PolarHBondContact O-ND2 2.75Å; I229-N413 PolarHBondContact O-OD1 2.85Å; I229-L416 HydrophobicContact CD1-CD1 4.08Å; I229-L416 HydrophobicContact CG1-CD1 4.16Å |
| 230 | E | 84.6 | Confident | 81.4 | Confident | 26 Ų | 26 | 37.6 Ų | 37.6 | 12% | 0.121 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122.2 | 171.8 | -69.3 | -171.7 | 150.4 | 0 | 0 | 109.3 | Y213 R228 Y232 Q591 | Y213-E230 PolarHBondContact N-O 2.84Å; Y213-E230 PolarHBondContact O-N 3.07Å; R228-E230 IonicContact CZ-OE1 3.49Å; R228-E230 IonicContact NH1-OE1 3.41Å; R228-E230 PolarHBondContact NH1-OE1 3.07Å; R228-E230 IonicContact NH2-OE1 2.69Å; R228-E230 PolarHBondContact NH2-OE1 3.21Å; E230-Y232 HydrophobicContact CB-CD2 4.29Å; E230-Y232 HydrophobicContact CB-CE2 3.5Å; E230-Y232 WeakPolarHBondContact O-CD2 3.31Å; E230-Y232 PolarHBondContact OE2-OH 2.91Å; E230-Q591 PolarHBondContact OE2-NE2 2.7Å |
| 231 | P | 83.1 | Confident | 81.9 | Confident | 50 Ų | 50 | 36.6 Ų | 36.6 | 33% | 0.325 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 135.5 | 177.8 | 34 | -29.1 | 0 | 0 | 0 | 110.6 | F210 F405 V409 | F210-P231 HydrophobicContact CD2-CB 4.41Å; P231-F405 HydrophobicContact CB-CD1 4.49Å; P231-F405 HydrophobicContact CB-CE1 3.77Å; P231-F405 HydrophobicContact CB-CZ 4.49Å; P231-V409 HydrophobicContact CB-CG2 4.38Å; P231-V409 HydrophobicContact CG-CB 4.12Å; P231-V409 HydrophobicContact CG-CG1 3.99Å; P231-V409 HydrophobicContact CG-CG2 4.18Å |
| 232 | Y | 74.8 | Confident | 82.6 | Confident | 22 Ų | 22 | 31.1 Ų | 31.1 | 9% | 0.086 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 144.3 | -179.5 | -71.7 | -91.8 | 0 | 0 | 0 | 110.1 | F210 G211 E230 L234 S584 L588 Q591 | F210-Y232 CarbonylContact C-O 3.43Å; F210-Y232 WeakPolarHBondContact CA-O 3.45Å; G211-Y232 PolarHBondContact N-O 3.12Å; G211-Y232 PolarHBondContact O-N 2.92Å; E230-Y232 HydrophobicContact CB-CD2 4.29Å; E230-Y232 HydrophobicContact CB-CE2 3.5Å; E230-Y232 WeakPolarHBondContact O-CD2 3.31Å; E230-Y232 PolarHBondContact OE2-OH 2.91Å; Y232-L234 PolarHBondContact O-N 2.88Å; Y232-S584 WeakPolarHBondContact CE1-O 3.49Å; Y232-L588 HydrophobicContact CD1-CB 4.37Å; Y232-L588 HydrophobicContact CD1-CD2 4.37Å; Y232-L588 HydrophobicContact CE1-CB 3.89Å; Y232-L588 HydrophobicContact CE1-CD1 4.32Å; Y232-L588 HydrophobicContact CE1-CG 4.48Å; Y232-L588 HydrophobicContact CE2-CD1 4.07Å; Y232-Q591 PolarHBondContact OH-NE2 3.29Å |
| 233 | L | 73.1 | Confident | 82.8 | Confident | 75 Ų | 75 | 33.6 Ų | 33.6 | 39% | 0.393 | 18% | 0.181 | S | C | . | . | trans | 54.8 | 42.9 | 163.5 | -48.4 | -177.8 | 0 | 0 | 0 | 116.6 | E235 F581 | L233-E235 PolarHBondContact O-N 3.29Å; L233-F581 HydrophobicContact CD1-CD2 4.13Å; L233-F581 HydrophobicContact CD1-CE2 3.68Å; L233-F581 HydrophobicContact CD1-CZ 4.15Å; L233-F581 HydrophobicContact CD2-CB 4.26Å; L233-F581 HydrophobicContact CD2-CD2 3.53Å; L233-F581 HydrophobicContact CD2-CE2 3.99Å; L233-F581 HydrophobicContact CD2-CG 3.93Å; L233-F581 HydrophobicContact CG-CD2 4.34Å; L233-F581 HydrophobicContact CG-CE2 4.37Å | ||
| 234 | L | 82.7 | Confident | 82.8 | Confident | 28 Ų | 28 | 38 Ų | 38 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | trans | -60.5 | 129.5 | 172 | -178.6 | 72.9 | 0 | 0 | 0 | 111.4 | R209 F210 Y232 K236 F249 Y401 F405 | R209-L234 CarbonylContact O-C 3.26Å; R209-L234 WeakPolarHBondContact O-CA 3.35Å; F210-L234 HydrophobicContact CB-CB 4.31Å; F210-L234 HydrophobicContact CB-CD1 4.07Å; Y232-L234 PolarHBondContact O-N 2.88Å; L234-K236 HydrophobicContact CD2-CG 4.36Å; L234-K236 PolarHBondContact O-N 2.72Å; L234-F249 HydrophobicContact CD1-CE1 3.74Å; L234-F249 HydrophobicContact CD1-CZ 3.73Å; L234-F249 HydrophobicContact CG-CZ 4.3Å; L234-Y401 HydrophobicContact CD2-CD1 4.13Å; L234-Y401 HydrophobicContact CD2-CE1 4.2Å; L234-F405 HydrophobicContact CB-CD1 4.41Å; L234-F405 HydrophobicContact CB-CE1 4.47Å; L234-F405 HydrophobicContact CD1-CD1 4.21Å; L234-F405 HydrophobicContact CD1-CE1 4.11Å; L234-F405 HydrophobicContact CD1-CZ 4.47Å; L234-F405 HydrophobicContact CD2-CB 3.99Å; L234-F405 HydrophobicContact CD2-CD1 3.71Å; L234-F405 HydrophobicContact CD2-CE1 4.4Å; L234-F405 HydrophobicContact CD2-CG 3.99Å; L234-F405 HydrophobicContact CG-CD1 4.33Å | ||
| 235 | E | 79.3 | Confident | 82.7 | Confident | 49 Ų | 49 | 46.1 Ų | 46.1 | 23% | 0.229 | 23% | 0.234 | C | C | . | . | trans | -73.2 | 66.6 | 176.1 | -167.4 | 179.1 | -129.7 | 0 | 0 | 112.4 | R209 L233 S237 R238 | R209-E235 HydrophobicContact CB-CB 3.9Å; R209-E235 IonicContact CZ-OE1 3.61Å; R209-E235 IonicContact CZ-OE2 3.78Å; R209-E235 IonicContact NE-OE1 2.69Å; R209-E235 IonicContact NE-OE2 2.76Å; R209-E235 PolarHBondContact NE-OE2 3.38Å; R209-E235 VanDerWaalsContact NH2-CD 3.28Å; R209-E235 IonicContact NH2-OE1 3.67Å; R209-E235 PolarHBondContact NH2-OE1 3.22Å; R209-E235 IonicContact NH2-OE2 3.24Å; R209-E235 PolarHBondContact NH2-OE2 3.28Å; R209-E235 PolarHBondContact O-N 3.1Å; L233-E235 PolarHBondContact O-N 3.29Å; E235-S237 PolarHBondContact O-N 2.95Å; E235-R238 HydrophobicContact CG-CB 4.17Å; E235-R238 WeakPolarHBondContact O-CB 3.48Å; E235-R238 PolarHBondContact O-N 3.46Å; E235-R238 IonicContact OE1-NH2 3.96Å; E235-R238 IonicContact OE2-CZ 2.95Å; E235-R238 VanDerWaalsContact OE2-CZ 3.29Å; E235-R238 IonicContact OE2-NE 2.72Å; E235-R238 PolarHBondContact OE2-NE 3.17Å; E235-R238 IonicContact OE2-NH2 3.58Å; E235-R238 PolarHBondContact OE2-NH2 3.37Å | ||
| 236 | K | 84.1 | Confident | 83 | Confident | 37 Ų | 37 | 45.4 Ų | 45.4 | 16% | 0.161 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -53.7 | -30.1 | -178.3 | -55.1 | 178.5 | -154.7 | 145.4 | 0 | 113.3 | L234 R238 V239 K398 E536 | L234-K236 HydrophobicContact CD2-CG 4.36Å; L234-K236 PolarHBondContact O-N 2.72Å; K236-R238 PolarHBondContact O-N 2.93Å; K236-V239 WeakPolarHBondContact O-CB 3.26Å; K236-V239 VanDerWaalsContact O-CG2 3.28Å; K236-V239 WeakPolarHBondContact O-CG2 3.3Å; K236-V239 PolarHBondContact O-N 3.18Å; K236-K398 HydrophobicContact CB-CB 4.48Å; K236-E536 WeakPolarHBondContact CD-OE1 3.43Å; K236-E536 IonicContact NZ-OE1 3.77Å; K236-E536 PolarHBondContact NZ-OE1 3.41Å; K236-E536 IonicContact NZ-OE2 3.99Å; K236-E536 PolarHBondContact NZ-OE2 2.96Å |
| 237 | S | 81.7 | Confident | 83.3 | Confident | 39 Ų | 39 | 44.7 Ų | 44.7 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -59.9 | -29.5 | 177.1 | 47 | 0 | 0 | 0 | 0 | 113.5 | E235 V239 V240 S241 | E235-S237 PolarHBondContact O-N 2.95Å; S237-V239 PolarHBondContact O-N 2.91Å; S237-V240 WeakPolarHBondContact O-CG2 3.49Å; S237-V240 PolarHBondContact O-N 2.73Å; S237-V240 VanDerWaalsContact O-N 3.15Å; S237-S241 PolarHBondContact O-N 3.4Å |
| 238 | R | 86.5 | Confident | 83.6 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 4% | 0.038 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -60.4 | -29.4 | 177.9 | 179.2 | 165.6 | -61.5 | -80.4 | -13.4 | 113.2 | A199 E235 K236 V240 S241 H242 E246 R247 N248 F249 | A199-R238 VanDerWaalsContact CB-CD 3.43Å; E235-R238 HydrophobicContact CG-CB 4.17Å; E235-R238 WeakPolarHBondContact O-CB 3.48Å; E235-R238 PolarHBondContact O-N 3.46Å; E235-R238 IonicContact OE1-NH2 3.96Å; E235-R238 IonicContact OE2-CZ 2.95Å; E235-R238 VanDerWaalsContact OE2-CZ 3.29Å; E235-R238 IonicContact OE2-NE 2.72Å; E235-R238 PolarHBondContact OE2-NE 3.17Å; E235-R238 IonicContact OE2-NH2 3.58Å; E235-R238 PolarHBondContact OE2-NH2 3.37Å; K236-R238 PolarHBondContact O-N 2.93Å; R238-V240 PolarHBondContact O-N 3.03Å; R238-S241 WeakPolarHBondContact CA-O 3.46Å; R238-H242 HydrophobicContact CG-CB 4.43Å; R238-E246 IonicContact CZ-OE2 2.79Å; R238-E246 VanDerWaalsContact CZ-OE2 3.26Å; R238-E246 IonicContact NH1-OE2 2.69Å; R238-E246 PolarHBondContact NH1-OE2 3.34Å; R238-E246 IonicContact NH2-OE2 2.67Å; R238-E246 PolarHBondContact NH2-OE2 3.39Å; R238-R247 PolarHBondContact NH1-O 3.43Å; R238-N248 PolarHBondContact O-ND2 3.22Å; R238-N248 PolarHBondContact O-OD1 3.46Å; R238-F249 HydrophobicContact CB-CE2 3.84Å; R238-F249 HydrophobicContact CB-CZ 4.24Å; R238-F249 HydrophobicContact CG-CD2 4.36Å; R238-F249 HydrophobicContact CG-CE2 4.15Å |
| 239 | V | 91 | Very high | 83.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -56.7 | -37.4 | 177.6 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | K236 S237 N248 F249 F252 Y278 I323 A397 Y401 | K236-V239 WeakPolarHBondContact O-CB 3.26Å; K236-V239 VanDerWaalsContact O-CG2 3.28Å; K236-V239 WeakPolarHBondContact O-CG2 3.3Å; K236-V239 PolarHBondContact O-N 3.18Å; S237-V239 PolarHBondContact O-N 2.91Å; V239-N248 WeakPolarHBondContact CA-OD1 3.15Å; V239-N248 PolarHBondContact O-ND2 3.42Å; V239-F249 HydrophobicContact CG2-CD2 4.06Å; V239-F249 HydrophobicContact CG2-CE2 3.81Å; V239-F252 HydrophobicContact CG1-CZ 4.33Å; V239-Y278 WeakPolarHBondContact O-CB 3.47Å; V239-I323 HydrophobicContact CG1-CG2 3.78Å; V239-A397 HydrophobicContact CG1-CB 4.35Å; V239-Y401 HydrophobicContact CG1-CG 4.44Å; V239-Y401 HydrophobicContact CG2-CD1 3.55Å; V239-Y401 HydrophobicContact CG2-CD2 4.18Å; V239-Y401 HydrophobicContact CG2-CE1 4.18Å; V239-Y401 HydrophobicContact CG2-CG 3.55Å |
| 240 | V | 90.3 | Very high | 84.2 | Confident | 12 Ų | 12 | 38 Ų | 38 | 7% | 0.073 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -26.6 | -173.7 | -58.9 | 0 | 0 | 0 | 0 | 113.7 | S237 R238 Y278 Q281 D394 A397 K398 | S237-V240 WeakPolarHBondContact O-CG2 3.49Å; S237-V240 PolarHBondContact O-N 2.73Å; S237-V240 VanDerWaalsContact O-N 3.15Å; R238-V240 PolarHBondContact O-N 3.03Å; V240-Y278 HydrophobicContact CB-CD1 4.31Å; V240-Y278 HydrophobicContact CB-CE1 3.82Å; V240-Y278 HydrophobicContact CG1-CE1 3.86Å; V240-Y278 HydrophobicContact CG1-CE2 4.39Å; V240-Q281 PolarHBondContact O-NE2 3.46Å; V240-D394 HydrophobicContact CB-CB 4.11Å; V240-D394 HydrophobicContact CG1-CB 3.87Å; V240-D394 HydrophobicContact CG2-CB 4.24Å; V240-A397 HydrophobicContact CG1-CB 3.58Å; V240-K398 HydrophobicContact CG1-CG 4.21Å; V240-K398 HydrophobicContact CG2-CD 4.29Å; V240-K398 HydrophobicContact CG2-CG 4.2Å |
| 241 | S | 83.9 | Confident | 84.7 | Confident | 64 Ų | 64 | 36.8 Ų | 36.8 | 45% | 0.448 | 19% | 0.194 | S | C | . | . | trans | -149.2 | 133.1 | 176.2 | -172.2 | 0 | 0 | 0 | 0 | 113.8 | S237 R238 Q281 | S237-S241 PolarHBondContact O-N 3.4Å; R238-S241 WeakPolarHBondContact CA-O 3.46Å; S241-Q281 PolarHBondContact OG-OE1 3.45Å | ||
| 242 | H | 84.2 | Confident | 85.4 | Confident | 16 Ų | 16 | 34.4 Ų | 34.4 | 7% | 0.074 | 18% | 0.179 | C | C | . | . | trans | -139.8 | 158.9 | 176.1 | 57.2 | -93.2 | 0 | 0 | 0 | 111 | R238 E246 Y278 G282 | R238-H242 HydrophobicContact CG-CB 4.43Å; H242-E246 HydrophobicContact CB-CB 4.43Å; H242-E246 PolarHBondContact CD2-O 3.47Å; H242-Y278 PolarHBondContact CE1-O 3.31Å; H242-G282 PolarHBondContact CD2-N 3.18Å; H242-G282 PolarHBondContact NE2-N 3.07Å | ||
| 243 | A | 76.9 | Confident | 86.3 | Confident | 53 Ų | 53 | 33.8 Ų | 33.8 | 44% | 0.438 | 18% | 0.176 | S | C | . | . | trans | -81.7 | 165.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R245 E246 G282 | A243-R245 PolarHBondContact O-N 3.42Å; A243-E246 HydrophobicContact CB-CG 4.07Å; A243-E246 WeakPolarHBondContact O-CB 3.37Å; A243-E246 PolarHBondContact O-N 2.7Å; A243-G282 WeakPolarHBondContact O-CA 3.29Å | ||
| 244 | L | 78.6 | Confident | 87.3 | Confident | 114 Ų | 114 | 30.2 Ų | 30.2 | 60% | 0.597 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 133.2 | 173.7 | -167.6 | 69.7 | 0 | 0 | 0 | 110.5 | C202 E246 R283 | C202-L244 PolarHBondContact SG-O 2.94Å; C202-L244 VanDerWaalsContact SG-O 3.4Å; L244-E246 PolarHBondContact O-N 2.91Å; L244-R283 HydrophobicContact CD1-CB 4.19Å; L244-R283 HydrophobicContact CD1-CG 4.08Å |
| 245 | R | 78.8 | Confident | 87.8 | Confident | 174 Ų | 174 | 28.9 Ų | 28.9 | 66% | 0.657 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 7.1 | -171.5 | -54.8 | -179.3 | 177.8 | 173.9 | -2.2 | 116.5 | K200 A243 G282 | K200-R245 WeakPolarHBondContact CE-O 3.46Å; A243-R245 PolarHBondContact O-N 3.42Å; R245-G282 PolarHBondContact N-O 3.49Å |
| 246 | E | 82.8 | Confident | 88.5 | Confident | 30 Ų | 30 | 26.6 Ų | 26.6 | 14% | 0.14 | 14% | 0.14 | C | C | . | . | trans | -97.1 | 161.4 | 166.5 | -54.8 | -154.7 | 137.2 | 0 | 0 | 111.6 | K200 T201 R238 H242 A243 L244 G282 | K200-E246 WeakPolarHBondContact O-CA 3.46Å; K200-E246 WeakPolarHBondContact O-CB 3.36Å; T201-E246 WeakPolarHBondContact CA-OE1 3.43Å; T201-E246 WeakPolarHBondContact CB-OE1 3.49Å; R238-E246 IonicContact CZ-OE2 2.79Å; R238-E246 VanDerWaalsContact CZ-OE2 3.26Å; R238-E246 IonicContact NH1-OE2 2.69Å; R238-E246 PolarHBondContact NH1-OE2 3.34Å; R238-E246 IonicContact NH2-OE2 2.67Å; R238-E246 PolarHBondContact NH2-OE2 3.39Å; H242-E246 HydrophobicContact CB-CB 4.43Å; H242-E246 PolarHBondContact CD2-O 3.47Å; A243-E246 HydrophobicContact CB-CG 4.07Å; A243-E246 WeakPolarHBondContact O-CB 3.37Å; A243-E246 PolarHBondContact O-N 2.7Å; L244-E246 PolarHBondContact O-N 2.91Å; E246-G282 WeakPolarHBondContact O-CA 3.44Å | ||
| 247 | R | 89.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -107.1 | 166.2 | 167.1 | -64 | -157.1 | -57 | 168.6 | 0.8 | 111.2 | K200 R238 H250 Y253 D284 P285 A287 D292 | K200-R247 HydrophobicContact CB-CB 3.99Å; K200-R247 HydrophobicContact CB-CG 3.91Å; K200-R247 HydrophobicContact CD-CG 4.2Å; K200-R247 HydrophobicContact CG-CG 4.31Å; K200-R247 PolarHBondContact O-N 2.97Å; R238-R247 PolarHBondContact NH1-O 3.43Å; R247-H250 PolarHBondContact NH2-ND1 3.14Å; R247-Y253 HydrophobicContact CB-CE2 3.73Å; R247-Y253 HydrophobicContact CG-CE2 4.34Å; R247-D284 WeakPolarHBondContact CG-O 3.41Å; R247-P285 VanDerWaalsContact CD-C 3.48Å; R247-P285 WeakPolarHBondContact CD-O 3.45Å; R247-P285 PolarHBondContact NH1-O 3.42Å; R247-A287 VanDerWaalsContact NH2-CB 3.3Å; R247-D292 IonicContact CZ-OD1 3.98Å; R247-D292 IonicContact CZ-OD2 2.74Å; R247-D292 IonicContact NH1-OD1 2.61Å; R247-D292 PolarHBondContact NH1-OD1 2.92Å; R247-D292 IonicContact NH1-OD2 2.7Å; R247-D292 PolarHBondContact NH1-OD2 3.2Å; R247-D292 IonicContact NH2-OD1 2.88Å; R247-D292 PolarHBondContact NH2-OD1 3.33Å; R247-D292 IonicContact NH2-OD2 3.71Å | ||
| 248 | N | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -69.7 | -174.3 | 158 | -150.1 | -35.2 | 0 | 0 | 0 | 110.1 | A199 R238 V239 F252 Y253 Y278 L279 | A199-N248 WeakPolarHBondContact CB-O 3.45Å; R238-N248 PolarHBondContact O-ND2 3.22Å; R238-N248 PolarHBondContact O-OD1 3.46Å; V239-N248 WeakPolarHBondContact CA-OD1 3.15Å; V239-N248 PolarHBondContact O-ND2 3.42Å; N248-F252 HydrophobicContact CB-CD2 4.36Å; N248-Y253 HydrophobicContact CB-CE2 3.95Å; N248-Y253 PolarHBondContact N-OH 2.95Å; N248-Y253 VanDerWaalsContact N-OH 3.11Å; N248-Y278 PolarHBondContact ND2-O 3.11Å; N248-L279 HydrophobicContact CB-CD2 3.65Å |
| 249 | F | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -59.5 | 143.3 | 174.2 | -66.9 | -81.1 | 0 | 0 | 0 | 112.2 | F196 N198 R209 L234 R238 V239 V251 F252 Y401 | F196-F249 WeakPolarHBondContact O-CD1 3.25Å; N198-F249 WeakPolarHBondContact O-CA 3.25Å; R209-F249 HydrophobicContact CB-CE1 3.99Å; R209-F249 HydrophobicContact CB-CZ 4.4Å; R209-F249 HydrophobicContact CG-CE1 4.48Å; L234-F249 HydrophobicContact CD1-CE1 3.74Å; L234-F249 HydrophobicContact CD1-CZ 3.73Å; L234-F249 HydrophobicContact CG-CZ 4.3Å; R238-F249 HydrophobicContact CB-CE2 3.84Å; R238-F249 HydrophobicContact CB-CZ 4.24Å; R238-F249 HydrophobicContact CG-CD2 4.36Å; R238-F249 HydrophobicContact CG-CE2 4.15Å; V239-F249 HydrophobicContact CG2-CD2 4.06Å; V239-F249 HydrophobicContact CG2-CE2 3.81Å; F249-V251 VanDerWaalsContact C-N 3.32Å; F249-V251 PolarHBondContact O-N 2.97Å; F249-F252 HydrophobicContact CB-CD2 4.21Å; F249-F252 HydrophobicContact CB-CE2 4.41Å; F249-F252 PolarHBondContact O-N 3.35Å; F249-Y401 WeakPolarHBondContact CB-OH 3.43Å; F249-Y401 HydrophobicContact CD2-CD1 4.47Å; F249-Y401 AromaticContact CD2-CE1 3.68Å; F249-Y401 HydrophobicContact CD2-CE1 3.68Å; F249-Y401 AromaticContact CD2-CZ 3.74Å; F249-Y401 HydrophobicContact CE2-CD1 4.39Å; F249-Y401 AromaticContact CE2-CE1 3.82Å; F249-Y401 HydrophobicContact CE2-CE1 3.82Å; F249-Y401 HydrophobicContact CG-CE1 4.07Å; F249-Y401 AromaticContact CG-CZ 3.87Å; F249-Y401 WeakPolarHBondContact CG-OH 3.49Å; F249-Y401 HydrophobicContact CZ-CE1 4.31Å |
| 250 | H | 94.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -39.6 | -170.9 | -70.7 | -65.2 | 0 | 0 | 0 | 113.8 | A195 N198 A199 D205 R247 F252 Y253 C254 R290 | A195-H250 PolarHBondContact O-N 2.84Å; N198-H250 PolarHBondContact O-CD2 3.25Å; N198-H250 PolarHBondContact O-N 3.16Å; A199-H250 WeakPolarHBondContact CA-NE2 3.32Å; D205-H250 PolarHBondContact O-CE1 3.43Å; D205-H250 PolarHBondContact O-NE2 3.49Å; R247-H250 PolarHBondContact NH2-ND1 3.14Å; H250-F252 PolarHBondContact O-N 2.73Å; H250-Y253 WeakPolarHBondContact O-CA 3.39Å; H250-Y253 PolarHBondContact O-N 3.45Å; H250-C254 PolarHBondContact O-N 3.26Å; H250-C254 PolarHBondContact O-SG 3.48Å; H250-R290 PolarHBondContact CD2-NH1 2.89Å; H250-R290 PolarHBondContact NE2-NH1 3.31Å |
| 251 | V | 95.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -52.1 | -33.9 | -176.7 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | A195 F196 F249 Y253 C254 F255 L299 L320 Y401 | A195-V251 HydrophobicContact CB-CB 4.11Å; A195-V251 WeakPolarHBondContact O-CB 3.35Å; A195-V251 PolarHBondContact O-N 2.87Å; F196-V251 HydrophobicContact CD1-CG1 4.02Å; F196-V251 HydrophobicContact CD2-CB 4.26Å; F196-V251 HydrophobicContact CD2-CG1 4.49Å; F196-V251 HydrophobicContact CD2-CG2 4.17Å; F196-V251 HydrophobicContact CE1-CG1 4.19Å; F196-V251 HydrophobicContact CE1-CG2 4.2Å; F196-V251 HydrophobicContact CE2-CB 4.28Å; F196-V251 HydrophobicContact CE2-CG2 3.69Å; F196-V251 HydrophobicContact CG-CB 4.42Å; F196-V251 HydrophobicContact CG-CG1 4.17Å; F196-V251 HydrophobicContact CZ-CB 4.46Å; F196-V251 HydrophobicContact CZ-CG2 3.7Å; F249-V251 VanDerWaalsContact C-N 3.32Å; F249-V251 PolarHBondContact O-N 2.97Å; V251-Y253 VanDerWaalsContact C-N 3.31Å; V251-Y253 PolarHBondContact O-N 3.36Å; V251-C254 PolarHBondContact O-N 3.18Å; V251-F255 VanDerWaalsContact O-CD1 3.27Å; V251-F255 WeakPolarHBondContact O-CD1 3.34Å; V251-F255 PolarHBondContact O-N 2.91Å; V251-L299 HydrophobicContact CG2-CD2 3.92Å; V251-L320 HydrophobicContact CB-CD1 4.36Å; V251-L320 HydrophobicContact CG1-CD1 3.93Å; V251-L320 HydrophobicContact CG1-CD2 4.47Å; V251-L320 HydrophobicContact CG2-CD1 3.51Å; V251-Y401 HydrophobicContact CG1-CE2 4.36Å |
| 252 | F | 96 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.6 | -28.9 | 177.6 | -68.9 | -68.4 | 0 | 0 | 0 | 113.7 | V239 N248 F249 H250 F255 L256 L279 L320 I323 L324 Y401 | V239-F252 HydrophobicContact CG1-CZ 4.33Å; N248-F252 HydrophobicContact CB-CD2 4.36Å; F249-F252 HydrophobicContact CB-CD2 4.21Å; F249-F252 HydrophobicContact CB-CE2 4.41Å; F249-F252 PolarHBondContact O-N 3.35Å; H250-F252 PolarHBondContact O-N 2.73Å; F252-F255 HydrophobicContact CD1-CE1 4.37Å; F252-F255 WeakPolarHBondContact O-CD1 3.34Å; F252-F255 WeakPolarHBondContact O-CE1 3.31Å; F252-L256 WeakPolarHBondContact O-CD1 3.38Å; F252-L256 VanDerWaalsContact O-CG 3.29Å; F252-L256 WeakPolarHBondContact O-CG 3.17Å; F252-L279 HydrophobicContact CB-CD1 4.21Å; F252-L279 HydrophobicContact CB-CD2 3.59Å; F252-L279 HydrophobicContact CD2-CD2 4.37Å; F252-L279 HydrophobicContact CG-CD2 4.07Å; F252-L320 HydrophobicContact CD1-CB 4.36Å; F252-L320 HydrophobicContact CD1-CD2 4.4Å; F252-L320 HydrophobicContact CE1-CB 4.07Å; F252-L320 HydrophobicContact CE1-CD2 3.72Å; F252-L320 HydrophobicContact CE1-CG 4.43Å; F252-L320 HydrophobicContact CZ-CD2 3.94Å; F252-I323 HydrophobicContact CE1-CB 4.38Å; F252-I323 HydrophobicContact CE1-CG2 4.13Å; F252-I323 HydrophobicContact CZ-CG2 3.98Å; F252-L324 HydrophobicContact CD1-CD1 4.24Å; F252-L324 HydrophobicContact CD1-CD2 3.59Å; F252-L324 HydrophobicContact CD1-CG 3.84Å; F252-L324 HydrophobicContact CE1-CD2 3.94Å; F252-L324 HydrophobicContact CE1-CG 4.16Å; F252-L324 HydrophobicContact CG-CD2 4.22Å; F252-Y401 HydrophobicContact CD2-CE2 4.49Å; F252-Y401 AromaticContact CE2-CD2 3.96Å; F252-Y401 HydrophobicContact CE2-CD2 3.96Å; F252-Y401 AromaticContact CE2-CE2 3.52Å; F252-Y401 HydrophobicContact CE2-CE2 3.52Å; F252-Y401 AromaticContact CZ-CD2 3.62Å; F252-Y401 HydrophobicContact CZ-CD2 3.62Å; F252-Y401 AromaticContact CZ-CE2 3.56Å; F252-Y401 HydrophobicContact CZ-CE2 3.56Å |
| 253 | Y | 95.3 | Very high | 90 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -84.7 | -41 | 174.1 | -56.6 | -91 | 0 | 0 | 0 | 109.6 | R247 N248 H250 V251 L256 A257 P273 L279 P285 | R247-Y253 HydrophobicContact CB-CE2 3.73Å; R247-Y253 HydrophobicContact CG-CE2 4.34Å; N248-Y253 HydrophobicContact CB-CE2 3.95Å; N248-Y253 PolarHBondContact N-OH 2.95Å; N248-Y253 VanDerWaalsContact N-OH 3.11Å; H250-Y253 WeakPolarHBondContact O-CA 3.39Å; H250-Y253 PolarHBondContact O-N 3.45Å; V251-Y253 VanDerWaalsContact C-N 3.31Å; V251-Y253 PolarHBondContact O-N 3.36Å; Y253-L256 PolarHBondContact O-N 3.48Å; Y253-A257 WeakPolarHBondContact O-CB 3.13Å; Y253-A257 PolarHBondContact O-N 3.22Å; Y253-P273 HydrophobicContact CD1-CB 3.99Å; Y253-P273 HydrophobicContact CD1-CG 4.23Å; Y253-P273 HydrophobicContact CE1-CB 4Å; Y253-P273 HydrophobicContact CE1-CG 4.45Å; Y253-L279 HydrophobicContact CE1-CB 4.21Å; Y253-L279 HydrophobicContact CE1-CD2 4.44Å; Y253-L279 HydrophobicContact CE2-CD2 4.04Å; Y253-L279 PolarHBondContact OH-O 2.71Å; Y253-P285 HydrophobicContact CE1-CB 4.44Å |
| 254 | C | 93.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.5 | -51.6 | -179.4 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | H250 V251 L256 A257 G258 D292 F296 | H250-C254 PolarHBondContact O-N 3.26Å; H250-C254 PolarHBondContact O-SG 3.48Å; V251-C254 PolarHBondContact O-N 3.18Å; C254-L256 VanDerWaalsContact C-N 3.34Å; C254-L256 PolarHBondContact O-N 3.48Å; C254-A257 PolarHBondContact O-N 3.03Å; C254-G258 PolarHBondContact O-N 3.43Å; C254-D292 WeakPolarHBondContact CA-O 3.15Å; C254-D292 WeakPolarHBondContact CB-O 3.42Å; C254-F296 HydrophobicContact CB-CB 4.1Å; C254-F296 HydrophobicContact CB-CD2 4.46Å; C254-F296 WeakPolarHBondContact O-CB 3.35Å |
| 255 | F | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.6 | -29.6 | -177.1 | 92.1 | -53.3 | 0 | 0 | 0 | 113.5 | V251 F252 M259 L269 F296 F317 L320 A321 L324 | V251-F255 VanDerWaalsContact O-CD1 3.27Å; V251-F255 WeakPolarHBondContact O-CD1 3.34Å; V251-F255 PolarHBondContact O-N 2.91Å; F252-F255 HydrophobicContact CD1-CE1 4.37Å; F252-F255 WeakPolarHBondContact O-CD1 3.34Å; F252-F255 WeakPolarHBondContact O-CE1 3.31Å; F255-M259 HydrophobicContact CD2-CE 3.9Å; F255-M259 HydrophobicContact CD2-SD 3.83Å; F255-M259 HydrophobicContact CE2-SD 4.49Å; F255-M259 WeakPolarHBondContact O-CB 3.18Å; F255-M259 WeakPolarHBondContact O-CG 3.34Å; F255-M259 PolarHBondContact O-N 3.26Å; F255-L269 HydrophobicContact CD2-CD1 4.42Å; F255-L269 HydrophobicContact CE2-CD1 3.56Å; F255-L269 HydrophobicContact CZ-CD1 3.84Å; F255-F296 VanDerWaalsContact CA-CD2 3.47Å; F255-F296 HydrophobicContact CB-CD2 3.81Å; F255-F296 HydrophobicContact CB-CE2 3.44Å; F255-F296 VanDerWaalsContact CB-CE2 3.44Å; F255-F296 HydrophobicContact CB-CZ 4.25Å; F255-F317 HydrophobicContact CB-CD1 4.45Å; F255-F317 HydrophobicContact CD2-CB 4.19Å; F255-F317 HydrophobicContact CD2-CD1 4.44Å; F255-F317 HydrophobicContact CD2-CG 4.45Å; F255-L320 HydrophobicContact CE2-CB 4.31Å; F255-L320 HydrophobicContact CZ-CB 4.12Å; F255-A321 HydrophobicContact CE2-CB 4.34Å; F255-L324 HydrophobicContact CE1-CD1 3.8Å; F255-L324 HydrophobicContact CZ-CD1 3.87Å |
| 256 | L | 94.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.6 | -40.4 | 171.1 | -66.4 | 179.9 | 0 | 0 | 0 | 111.4 | F252 Y253 C254 L264 L269 R271 P273 Y276 L279 L324 | F252-L256 WeakPolarHBondContact O-CD1 3.38Å; F252-L256 VanDerWaalsContact O-CG 3.29Å; F252-L256 WeakPolarHBondContact O-CG 3.17Å; Y253-L256 PolarHBondContact O-N 3.48Å; C254-L256 VanDerWaalsContact C-N 3.34Å; C254-L256 PolarHBondContact O-N 3.48Å; L256-L264 HydrophobicContact CD2-CD2 4.4Å; L256-L269 HydrophobicContact CD2-CB 4.17Å; L256-L269 HydrophobicContact CD2-CD1 4.06Å; L256-L269 HydrophobicContact CD2-CD2 4.32Å; L256-L269 HydrophobicContact CD2-CG 4.42Å; L256-R271 WeakPolarHBondContact O-CG 3.43Å; L256-R271 PolarHBondContact O-NH1 2.97Å; L256-P273 HydrophobicContact CD1-CB 4.33Å; L256-Y276 HydrophobicContact CD1-CD2 3.97Å; L256-Y276 HydrophobicContact CD1-CE2 3.58Å; L256-Y276 HydrophobicContact CD2-CE2 4.17Å; L256-L279 HydrophobicContact CD1-CD1 3.81Å; L256-L324 HydrophobicContact CD1-CD1 4.07Å; L256-L324 HydrophobicContact CD2-CD1 4.4Å; L256-L324 HydrophobicContact CG-CD1 4.44Å |
| 257 | A | 93.3 | Very high | 91.9 | Very high | 40 Ų | 40 | 33.2 Ų | 33.2 | 33% | 0.331 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.8 | -43.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y253 C254 R271 D292 A293 | Y253-A257 WeakPolarHBondContact O-CB 3.13Å; Y253-A257 PolarHBondContact O-N 3.22Å; C254-A257 PolarHBondContact O-N 3.03Å; A257-R271 PolarHBondContact O-NH1 3.14Å; A257-D292 HydrophobicContact CB-CB 4.04Å; A257-A293 HydrophobicContact CB-CB 3.95Å |
| 258 | G | 91.4 | Very high | 91.9 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 25% | 0.247 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -95.8 | -15.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | C254 | C254-G258 PolarHBondContact O-N 3.43Å |
| 259 | M | 91.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -65.1 | 145.7 | 178.5 | -87 | -172.3 | 164 | 0 | 0 | 112.8 | F255 Q263 L264 M267 R271 F296 F317 | F255-M259 HydrophobicContact CD2-CE 3.9Å; F255-M259 HydrophobicContact CD2-SD 3.83Å; F255-M259 HydrophobicContact CE2-SD 4.49Å; F255-M259 WeakPolarHBondContact O-CB 3.18Å; F255-M259 WeakPolarHBondContact O-CG 3.34Å; F255-M259 PolarHBondContact O-N 3.26Å; M259-Q263 HydrophobicContact CB-CB 4.22Å; M259-Q263 HydrophobicContact CE-CB 4.43Å; M259-Q263 HydrophobicContact CG-CB 4.15Å; M259-Q263 HydrophobicContact SD-CB 3.93Å; M259-L264 HydrophobicContact CB-CD2 3.92Å; M259-L264 HydrophobicContact CB-CG 4.02Å; M259-L264 HydrophobicContact SD-CD2 4.44Å; M259-M267 HydrophobicContact CE-CE 4.01Å; M259-M267 HydrophobicContact CE-SD 4.02Å; M259-M267 HydrophobicContact SD-SD 4.37Å; M259-R271 PolarHBondContact O-NH1 3.27Å; M259-R271 PolarHBondContact O-NH2 3.27Å; M259-F296 HydrophobicContact CE-CZ 4.45Å; M259-F296 HydrophobicContact CG-CE1 4.16Å; M259-F296 HydrophobicContact CG-CZ 3.81Å; M259-F317 HydrophobicContact CE-CB 3.6Å; M259-F317 HydrophobicContact CE-CD2 3.54Å; M259-F317 HydrophobicContact CE-CE2 4.41Å; M259-F317 HydrophobicContact CE-CG 3.76Å |
| 260 | S | 91.3 | Very high | 91.8 | Very high | 58 Ų | 58 | 41.5 Ų | 41.5 | 41% | 0.406 | 22% | 0.216 | S | C | . | . | trans | -70.2 | 152.8 | 169.8 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | H262 Q263 L264 | S260-H262 PolarHBondContact O-N 3.36Å; S260-H262 VanDerWaalsContact O-N 3.15Å; S260-Q263 WeakPolarHBondContact O-CB 3.32Å; S260-Q263 PolarHBondContact O-N 3.19Å; S260-Q263 VanDerWaalsContact OG-CD 3.32Å; S260-Q263 WeakPolarHBondContact OG-CG 3.4Å; S260-Q263 PolarHBondContact OG-OE1 3.09Å; S260-L264 PolarHBondContact O-N 3.32Å | ||
| 261 | E | 90.3 | Very high | 91.8 | Very high | 126 Ų | 126 | 45.8 Ų | 45.8 | 59% | 0.589 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -52.5 | -38.3 | 179.6 | -62.2 | -57.2 | 139.5 | 0 | 0 | 112.7 | Q263 L264 E265 R271 | E261-Q263 PolarHBondContact O-N 3.07Å; E261-L264 PolarHBondContact O-N 3.45Å; E261-E265 WeakPolarHBondContact O-CB 3.45Å; E261-E265 PolarHBondContact O-N 3.36Å; E261-R271 IonicContact OE1-CZ 3.53Å; E261-R271 IonicContact OE1-NE 2.64Å; E261-R271 PolarHBondContact OE1-NE 3.2Å; E261-R271 IonicContact OE1-NH2 2.68Å; E261-R271 PolarHBondContact OE1-NH2 2.77Å |
| 262 | H | 88 | Confident | 91.6 | Very high | 116 Ų | 116 | 49 Ų | 49 | 54% | 0.537 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.5 | -32.7 | 178 | -174.3 | 49.3 | 0 | 0 | 0 | 113.4 | S260 E265 I266 | S260-H262 PolarHBondContact O-N 3.36Å; S260-H262 VanDerWaalsContact O-N 3.15Å; H262-E265 IonicContact ND1-OE2 2.73Å; H262-E265 PolarHBondContact ND1-OE2 2.85Å; H262-I266 WeakPolarHBondContact O-CB 3.32Å; H262-I266 VanDerWaalsContact O-CG1 3.29Å; H262-I266 WeakPolarHBondContact O-CG1 3.11Å; H262-I266 PolarHBondContact O-N 3.15Å; H262-I266 VanDerWaalsContact O-N 3.09Å |
| 263 | Q | 87.7 | Confident | 91.4 | Very high | 69 Ų | 69 | 50.2 Ų | 50.2 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -73.7 | -39.1 | 174.3 | -69.7 | 164.7 | -55.1 | 0 | 0 | 111.4 | M259 S260 E261 I266 M267 | M259-Q263 HydrophobicContact CB-CB 4.22Å; M259-Q263 HydrophobicContact CE-CB 4.43Å; M259-Q263 HydrophobicContact CG-CB 4.15Å; M259-Q263 HydrophobicContact SD-CB 3.93Å; S260-Q263 WeakPolarHBondContact O-CB 3.32Å; S260-Q263 PolarHBondContact O-N 3.19Å; S260-Q263 VanDerWaalsContact OG-CD 3.32Å; S260-Q263 WeakPolarHBondContact OG-CG 3.4Å; S260-Q263 PolarHBondContact OG-OE1 3.09Å; E261-Q263 PolarHBondContact O-N 3.07Å; Q263-I266 PolarHBondContact O-N 3.18Å; Q263-M267 WeakPolarHBondContact O-CG 3.35Å; Q263-M267 PolarHBondContact O-N 3.29Å; Q263-M267 VanDerWaalsContact O-N 3.09Å |
| 264 | L | 92 | Very high | 91.2 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -45 | 173.2 | -68.1 | 179.4 | 0 | 0 | 0 | 111.2 | L256 M259 S260 E261 M267 E268 L269 R271 | L256-L264 HydrophobicContact CD2-CD2 4.4Å; M259-L264 HydrophobicContact CB-CD2 3.92Å; M259-L264 HydrophobicContact CB-CG 4.02Å; M259-L264 HydrophobicContact SD-CD2 4.44Å; S260-L264 PolarHBondContact O-N 3.32Å; E261-L264 PolarHBondContact O-N 3.45Å; L264-M267 CarbonylContact O-C 3.53Å; L264-M267 PolarHBondContact O-N 3.32Å; L264-E268 CarbonylContact O-C 3.47Å; L264-E268 WeakPolarHBondContact O-CA 3.37Å; L264-E268 PolarHBondContact O-N 2.79Å; L264-L269 HydrophobicContact CD2-CB 3.75Å; L264-L269 HydrophobicContact CD2-CD1 4.24Å; L264-L269 PolarHBondContact O-N 2.9Å; L264-R271 HydrophobicContact CD1-CB 4.1Å; L264-R271 VanDerWaalsContact CD1-CZ 3.48Å |
| 265 | E | 89.4 | Confident | 91.1 | Very high | 136 Ų | 136 | 58.3 Ų | 58.3 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.7 | -49.9 | 174.6 | -177.8 | -175.4 | -147.6 | 0 | 0 | 112 | E261 H262 M267 E268 | E261-E265 WeakPolarHBondContact O-CB 3.45Å; E261-E265 PolarHBondContact O-N 3.36Å; H262-E265 IonicContact ND1-OE2 2.73Å; H262-E265 PolarHBondContact ND1-OE2 2.85Å; E265-M267 VanDerWaalsContact C-N 3.3Å; E265-M267 PolarHBondContact O-N 3.06Å; E265-E268 PolarHBondContact O-N 2.84Å; E265-E268 VanDerWaalsContact O-N 3.08Å |
| 266 | I | 85.4 | Confident | 91.1 | Very high | 99 Ų | 99 | 58.5 Ų | 58.5 | 51% | 0.508 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 179.4 | -75.6 | 169.7 | 0 | 0 | 0 | 112.3 | H262 Q263 E268 | H262-I266 WeakPolarHBondContact O-CB 3.32Å; H262-I266 VanDerWaalsContact O-CG1 3.29Å; H262-I266 WeakPolarHBondContact O-CG1 3.11Å; H262-I266 PolarHBondContact O-N 3.15Å; H262-I266 VanDerWaalsContact O-N 3.09Å; Q263-I266 PolarHBondContact O-N 3.18Å; I266-E268 VanDerWaalsContact C-N 3.35Å |
| 267 | M | 88.7 | Confident | 91.1 | Very high | 11 Ų | 11 | 63.7 Ų | 63.7 | 5% | 0.054 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 3.9 | 178.7 | -59.6 | -167.5 | -173.8 | 0 | 0 | 113.4 | M259 Q263 L264 E265 L269 I314 F317 A321 H325 I356 | M259-M267 HydrophobicContact CE-CE 4.01Å; M259-M267 HydrophobicContact CE-SD 4.02Å; M259-M267 HydrophobicContact SD-SD 4.37Å; Q263-M267 WeakPolarHBondContact O-CG 3.35Å; Q263-M267 PolarHBondContact O-N 3.29Å; Q263-M267 VanDerWaalsContact O-N 3.09Å; L264-M267 CarbonylContact O-C 3.53Å; L264-M267 PolarHBondContact O-N 3.32Å; E265-M267 VanDerWaalsContact C-N 3.3Å; E265-M267 PolarHBondContact O-N 3.06Å; M267-L269 HydrophobicContact CB-CD1 3.74Å; M267-L269 HydrophobicContact CB-CG 3.86Å; M267-L269 PolarHBondContact O-N 3.15Å; M267-L269 HydrophobicContact SD-CD1 4.45Å; M267-I314 HydrophobicContact CE-CG2 4.35Å; M267-F317 HydrophobicContact CE-CB 4.06Å; M267-F317 HydrophobicContact SD-CB 4.27Å; M267-A321 HydrophobicContact CB-CB 4.06Å; M267-A321 HydrophobicContact SD-CB 4.06Å; M267-H325 PolarHBondContact O-NE2 2.82Å; M267-H325 VanDerWaalsContact O-NE2 3.12Å; M267-I356 WeakPolarHBondContact O-CD1 3.46Å |
| 268 | E | 90.8 | Very high | 91.2 | Very high | 61 Ų | 61 | 61.8 Ų | 61.8 | 29% | 0.285 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 41.3 | -175.1 | -60.2 | -175.6 | -140.5 | 0 | 0 | 113.8 | L264 E265 I266 H325 K352 K355 | L264-E268 CarbonylContact O-C 3.47Å; L264-E268 WeakPolarHBondContact O-CA 3.37Å; L264-E268 PolarHBondContact O-N 2.79Å; E265-E268 PolarHBondContact O-N 2.84Å; E265-E268 VanDerWaalsContact O-N 3.08Å; I266-E268 VanDerWaalsContact C-N 3.35Å; E268-H325 PolarHBondContact O-CE1 2.89Å; E268-H325 PolarHBondContact O-NE2 3Å; E268-K352 HydrophobicContact CB-CD 3.83Å; E268-K352 HydrophobicContact CB-CG 4.38Å; E268-K352 PolarHBondContact O-NZ 2.97Å; E268-K352 WeakPolarHBondContact OE2-CE 3.26Å; E268-K352 WeakPolarHBondContact OE2-CG 3.48Å; E268-K352 IonicContact OE2-NZ 2.77Å; E268-K355 VanDerWaalsContact OE1-CD 3.26Å; E268-K355 WeakPolarHBondContact OE1-CD 3.44Å; E268-K355 WeakPolarHBondContact OE1-CE 3.39Å; E268-K355 IonicContact OE1-NZ 2.59Å; E268-K355 PolarHBondContact OE1-NZ 3.09Å |
| 269 | L | 93.3 | Very high | 91.3 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | trans | -98.1 | 134.2 | -177.4 | -68 | 171 | 0 | 0 | 0 | 112.2 | F255 L256 L264 M267 Y276 A321 | F255-L269 HydrophobicContact CD2-CD1 4.42Å; F255-L269 HydrophobicContact CE2-CD1 3.56Å; F255-L269 HydrophobicContact CZ-CD1 3.84Å; L256-L269 HydrophobicContact CD2-CB 4.17Å; L256-L269 HydrophobicContact CD2-CD1 4.06Å; L256-L269 HydrophobicContact CD2-CD2 4.32Å; L256-L269 HydrophobicContact CD2-CG 4.42Å; L264-L269 HydrophobicContact CD2-CB 3.75Å; L264-L269 HydrophobicContact CD2-CD1 4.24Å; L264-L269 PolarHBondContact O-N 2.9Å; M267-L269 HydrophobicContact CB-CD1 3.74Å; M267-L269 HydrophobicContact CB-CG 3.86Å; M267-L269 PolarHBondContact O-N 3.15Å; M267-L269 HydrophobicContact SD-CD1 4.45Å; L269-Y276 VanDerWaalsContact CA-OH 3.31Å; L269-Y276 WeakPolarHBondContact CA-OH 3.4Å; L269-Y276 WeakPolarHBondContact CB-OH 3.44Å; L269-Y276 HydrophobicContact CD2-CE1 3.97Å; L269-Y276 VanDerWaalsContact CD2-OH 3.29Å; L269-Y276 WeakPolarHBondContact CD2-OH 3.45Å; L269-A321 HydrophobicContact CD1-CB 3.9Å; L269-A321 HydrophobicContact CD2-CB 4.03Å; L269-A321 HydrophobicContact CG-CB 4.21Å | ||
| 270 | E | 92.3 | Very high | 91.2 | Very high | 103 Ų | 103 | 62.4 Ų | 62.4 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | trans | -79.8 | 143.4 | 161.3 | -57.4 | -58.9 | 156.9 | 0 | 0 | 110.5 | H275 Y276 | E270-H275 HydrophobicContact CB-CB 4.11Å; E270-H275 HydrophobicContact CG-CB 4.37Å; E270-Y276 PolarHBondContact N-OH 3.12Å; E270-Y276 WeakPolarHBondContact O-CE2 3.2Å; E270-Y276 PolarHBondContact O-OH 2.91Å | ||
| 271 | R | 93.8 | Very high | 91.1 | Very high | 91 Ų | 91 | 61.5 Ų | 61.5 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -71 | -28.2 | -178.7 | -173.2 | 172.4 | -66 | -77.1 | 13.6 | 114 | L256 A257 M259 E261 L264 | L256-R271 WeakPolarHBondContact O-CG 3.43Å; L256-R271 PolarHBondContact O-NH1 2.97Å; A257-R271 PolarHBondContact O-NH1 3.14Å; M259-R271 PolarHBondContact O-NH1 3.27Å; M259-R271 PolarHBondContact O-NH2 3.27Å; E261-R271 IonicContact OE1-CZ 3.53Å; E261-R271 IonicContact OE1-NE 2.64Å; E261-R271 PolarHBondContact OE1-NE 3.2Å; E261-R271 IonicContact OE1-NH2 2.68Å; E261-R271 PolarHBondContact OE1-NH2 2.77Å; L264-R271 HydrophobicContact CD1-CB 4.1Å; L264-R271 VanDerWaalsContact CD1-CZ 3.48Å |
| 272 | D | 91.9 | Very high | 90.7 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | trans | -81.4 | 120.8 | -179.5 | 161.1 | 38.9 | 0 | 0 | 0 | 112 | M274 H275 | D272-M274 PolarHBondContact O-N 2.74Å; D272-M274 VanDerWaalsContact O-N 3.14Å; D272-M274 WeakPolarHBondContact OD1-CB 3.3Å; D272-M274 PolarHBondContact OD1-N 3.18Å; D272-M274 WeakPolarHBondContact OD2-CB 3.35Å; D272-H275 WeakPolarHBondContact O-CB 3.44Å; D272-H275 PolarHBondContact O-N 2.59Å; D272-H275 IonicContact OD2-CE1 2.96Å; D272-H275 PolarHBondContact OD2-CE1 3.34Å; D272-H275 VanDerWaalsContact OD2-CE1 3.27Å; D272-H275 IonicContact OD2-ND1 3.77Å; D272-H275 PolarHBondContact OD2-ND1 3.45Å | ||
| 273 | P | 92.1 | Very high | 90.5 | Very high | 25 Ų | 25 | 59.6 Ų | 59.6 | 16% | 0.162 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -63.4 | -18.9 | -179.8 | 26.6 | -35.4 | 0 | 0 | 0 | 114.3 | Y253 L256 H275 Y276 L279 P285 | Y253-P273 HydrophobicContact CD1-CB 3.99Å; Y253-P273 HydrophobicContact CD1-CG 4.23Å; Y253-P273 HydrophobicContact CE1-CB 4Å; Y253-P273 HydrophobicContact CE1-CG 4.45Å; L256-P273 HydrophobicContact CD1-CB 4.33Å; P273-H275 PolarHBondContact O-N 2.72Å; P273-Y276 PolarHBondContact O-N 2.86Å; P273-L279 HydrophobicContact CB-CB 4.16Å; P273-L279 HydrophobicContact CB-CD1 3.85Å; P273-L279 WeakPolarHBondContact O-CB 3.45Å; P273-P285 HydrophobicContact CG-CB 3.85Å |
| 274 | M | 90.5 | Very high | 90.2 | Very high | 75 Ų | 75 | 58 Ų | 58 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -67.7 | -14.8 | 177 | -66.9 | -67.8 | 168.8 | 0 | 0 | 113.5 | D272 Y276 C280 P285 | D272-M274 PolarHBondContact O-N 2.74Å; D272-M274 VanDerWaalsContact O-N 3.14Å; D272-M274 WeakPolarHBondContact OD1-CB 3.3Å; D272-M274 PolarHBondContact OD1-N 3.18Å; D272-M274 WeakPolarHBondContact OD2-CB 3.35Å; M274-Y276 PolarHBondContact O-N 3.22Å; M274-C280 HydrophobicContact SD-CB 3.74Å; M274-P285 HydrophobicContact CE-CB 3.97Å; M274-P285 HydrophobicContact CE-CG 3.63Å |
| 275 | H | 91.7 | Very high | 89.7 | Confident | 104 Ų | 104 | 59.6 Ų | 59.6 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -70.1 | -10.5 | 173.2 | -75.4 | 69.3 | 0 | 0 | 0 | 113.9 | E270 D272 P273 N328 | E270-H275 HydrophobicContact CB-CB 4.11Å; E270-H275 HydrophobicContact CG-CB 4.37Å; D272-H275 WeakPolarHBondContact O-CB 3.44Å; D272-H275 PolarHBondContact O-N 2.59Å; D272-H275 IonicContact OD2-CE1 2.96Å; D272-H275 PolarHBondContact OD2-CE1 3.34Å; D272-H275 VanDerWaalsContact OD2-CE1 3.27Å; D272-H275 IonicContact OD2-ND1 3.77Å; D272-H275 PolarHBondContact OD2-ND1 3.45Å; P273-H275 PolarHBondContact O-N 2.72Å; H275-N328 PolarHBondContact O-ND2 3.48Å |
| 276 | Y | 94.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | trans | -117.2 | 123.4 | -175 | -50.1 | -81.8 | 0 | 0 | 0 | 112.8 | L256 L269 E270 P273 M274 Y278 L279 C280 L324 | L256-Y276 HydrophobicContact CD1-CD2 3.97Å; L256-Y276 HydrophobicContact CD1-CE2 3.58Å; L256-Y276 HydrophobicContact CD2-CE2 4.17Å; L269-Y276 VanDerWaalsContact CA-OH 3.31Å; L269-Y276 WeakPolarHBondContact CA-OH 3.4Å; L269-Y276 WeakPolarHBondContact CB-OH 3.44Å; L269-Y276 HydrophobicContact CD2-CE1 3.97Å; L269-Y276 VanDerWaalsContact CD2-OH 3.29Å; L269-Y276 WeakPolarHBondContact CD2-OH 3.45Å; E270-Y276 PolarHBondContact N-OH 3.12Å; E270-Y276 WeakPolarHBondContact O-CE2 3.2Å; E270-Y276 PolarHBondContact O-OH 2.91Å; P273-Y276 PolarHBondContact O-N 2.86Å; M274-Y276 PolarHBondContact O-N 3.22Å; Y276-Y278 PolarHBondContact O-N 3.11Å; Y276-Y278 VanDerWaalsContact O-N 3.11Å; Y276-L279 HydrophobicContact CD2-CD1 4.04Å; Y276-L279 HydrophobicContact CG-CD1 4.46Å; Y276-L279 PolarHBondContact O-N 3.31Å; Y276-C280 PolarHBondContact O-N 3.06Å; Y276-L324 HydrophobicContact CD1-CB 3.63Å; Y276-L324 HydrophobicContact CD1-CD1 4.22Å; Y276-L324 HydrophobicContact CD1-CG 4.43Å; Y276-L324 HydrophobicContact CD2-CD1 4.21Å; Y276-L324 HydrophobicContact CE1-CB 4Å; Y276-L324 HydrophobicContact CE1-CD1 4.29Å; Y276-L324 HydrophobicContact CE2-CD1 4.32Å; Y276-L324 HydrophobicContact CG-CB 4.13Å; Y276-L324 HydrophobicContact CG-CD1 4.14Å; Y276-L324 HydrophobicContact CG-CD2 4.5Å | ||
| 277 | Y | 93.4 | Very high | 89.2 | Confident | 110 Ų | 110 | 53.1 Ų | 53.1 | 43% | 0.431 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -29.5 | 179.9 | 177.5 | -101.6 | 0 | 0 | 0 | 114 | L279 Q281 G327 N328 | Y277-L279 VanDerWaalsContact C-N 3.34Å; Y277-Q281 WeakPolarHBondContact O-CG 3.45Å; Y277-Q281 PolarHBondContact O-NE2 2.88Å; Y277-G327 WeakPolarHBondContact CB-O 3.43Å; Y277-G327 WeakPolarHBondContact CD1-O 3.19Å; Y277-N328 PolarHBondContact N-OD1 2.94Å |
| 278 | Y | 94.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -5.9 | 176.5 | -68.1 | -27 | 0 | 0 | 0 | 114.3 | V239 V240 H242 N248 Y276 I323 G327 D394 A397 | V239-Y278 WeakPolarHBondContact O-CB 3.47Å; V240-Y278 HydrophobicContact CB-CD1 4.31Å; V240-Y278 HydrophobicContact CB-CE1 3.82Å; V240-Y278 HydrophobicContact CG1-CE1 3.86Å; V240-Y278 HydrophobicContact CG1-CE2 4.39Å; H242-Y278 PolarHBondContact CE1-O 3.31Å; N248-Y278 PolarHBondContact ND2-O 3.11Å; Y276-Y278 PolarHBondContact O-N 3.11Å; Y276-Y278 VanDerWaalsContact O-N 3.11Å; Y278-I323 HydrophobicContact CD2-CG2 4.11Å; Y278-I323 VanDerWaalsContact CD2-O 3.28Å; Y278-I323 WeakPolarHBondContact CD2-O 3.42Å; Y278-I323 HydrophobicContact CE2-CG2 4.24Å; Y278-I323 VanDerWaalsContact CE2-O 3.25Å; Y278-I323 WeakPolarHBondContact CE2-O 3.46Å; Y278-G327 VanDerWaalsContact CE2-N 3.35Å; Y278-D394 PolarHBondContact OH-OD1 2.68Å; Y278-A397 HydrophobicContact CE2-CB 3.84Å |
| 279 | L | 93.8 | Very high | 87.5 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -24.6 | 179.3 | -55.9 | -176.9 | 0 | 0 | 0 | 113.6 | N248 F252 Y253 L256 P273 Y276 Y277 L324 | N248-L279 HydrophobicContact CB-CD2 3.65Å; F252-L279 HydrophobicContact CB-CD1 4.21Å; F252-L279 HydrophobicContact CB-CD2 3.59Å; F252-L279 HydrophobicContact CD2-CD2 4.37Å; F252-L279 HydrophobicContact CG-CD2 4.07Å; Y253-L279 HydrophobicContact CE1-CB 4.21Å; Y253-L279 HydrophobicContact CE1-CD2 4.44Å; Y253-L279 HydrophobicContact CE2-CD2 4.04Å; Y253-L279 PolarHBondContact OH-O 2.71Å; L256-L279 HydrophobicContact CD1-CD1 3.81Å; P273-L279 HydrophobicContact CB-CB 4.16Å; P273-L279 HydrophobicContact CB-CD1 3.85Å; P273-L279 WeakPolarHBondContact O-CB 3.45Å; Y276-L279 HydrophobicContact CD2-CD1 4.04Å; Y276-L279 HydrophobicContact CG-CD1 4.46Å; Y276-L279 PolarHBondContact O-N 3.31Å; Y277-L279 VanDerWaalsContact C-N 3.34Å; L279-L324 HydrophobicContact CD1-CD1 4.04Å; L279-L324 HydrophobicContact CD1-CD2 3.82Å; L279-L324 HydrophobicContact CD2-CD2 4Å; L279-L324 HydrophobicContact CG-CD2 3.76Å |
| 280 | C | 90.9 | Very high | 87.1 | Confident | 37 Ų | 37 | 64.2 Ų | 64.2 | 25% | 0.25 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -83.4 | -11.8 | -173.7 | 75.5 | 0 | 0 | 0 | 0 | 115.3 | M274 Y276 G282 R283 | M274-C280 HydrophobicContact SD-CB 3.74Å; Y276-C280 PolarHBondContact O-N 3.06Å; C280-G282 PolarHBondContact O-N 2.99Å; C280-R283 PolarHBondContact O-N 3.48Å; C280-R283 VanDerWaalsContact O-N 3.14Å |
| 281 | Q | 87.6 | Confident | 86.9 | Confident | 39 Ų | 39 | 63.9 Ų | 63.9 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -40.6 | -168.3 | -50.7 | -178.4 | 15.8 | 0 | 0 | 112.7 | V240 S241 Y277 R283 | V240-Q281 PolarHBondContact O-NE2 3.46Å; S241-Q281 PolarHBondContact OG-OE1 3.45Å; Y277-Q281 WeakPolarHBondContact O-CG 3.45Å; Y277-Q281 PolarHBondContact O-NE2 2.88Å; Q281-R283 PolarHBondContact O-N 2.8Å |
| 282 | G | 83.3 | Confident | 86.8 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | H242 A243 R245 E246 C280 D284 | H242-G282 PolarHBondContact CD2-N 3.18Å; H242-G282 PolarHBondContact NE2-N 3.07Å; A243-G282 WeakPolarHBondContact O-CA 3.29Å; R245-G282 PolarHBondContact N-O 3.49Å; E246-G282 WeakPolarHBondContact O-CA 3.44Å; C280-G282 PolarHBondContact O-N 2.99Å; G282-D284 PolarHBondContact O-N 2.78Å; G282-D284 VanDerWaalsContact O-N 3.14Å |
| 283 | R | 83.8 | Confident | 86.8 | Confident | 201 Ų | 201 | 59.2 Ų | 59.2 | 76% | 0.758 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 55.7 | 17.3 | -176.1 | -53.1 | -173.2 | -179 | -168.5 | -1.1 | 115.7 | L244 C280 Q281 | L244-R283 HydrophobicContact CD1-CB 4.19Å; L244-R283 HydrophobicContact CD1-CG 4.08Å; C280-R283 PolarHBondContact O-N 3.48Å; C280-R283 VanDerWaalsContact O-N 3.14Å; Q281-R283 PolarHBondContact O-N 2.8Å |
| 284 | D | 81.5 | Confident | 86.7 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 19% | 0.193 | 32% | 0.319 | C | S | . | . | trans | -140.2 | 88 | -178.6 | -176 | -7.3 | 0 | 0 | 0 | 108.4 | K200 R247 G282 I286 | K200-D284 WeakPolarHBondContact CE-OD2 3.42Å; K200-D284 IonicContact NZ-OD1 3.73Å; K200-D284 PolarHBondContact NZ-OD1 3.48Å; K200-D284 IonicContact NZ-OD2 3.09Å; K200-D284 PolarHBondContact NZ-OD2 3.33Å; R247-D284 WeakPolarHBondContact CG-O 3.41Å; G282-D284 PolarHBondContact O-N 2.78Å; G282-D284 VanDerWaalsContact O-N 3.14Å; D284-I286 VanDerWaalsContact C-N 3.29Å; D284-I286 PolarHBondContact O-N 2.91Å | ||
| 285 | P | 81.4 | Confident | 86.7 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | trans | -81.5 | -7.8 | -171.2 | 33.1 | -33 | 0 | 0 | 0 | 113 | R247 Y253 P273 M274 | R247-P285 VanDerWaalsContact CD-C 3.48Å; R247-P285 WeakPolarHBondContact CD-O 3.45Å; R247-P285 PolarHBondContact NH1-O 3.42Å; Y253-P285 HydrophobicContact CE1-CB 4.44Å; P273-P285 HydrophobicContact CG-CB 3.85Å; M274-P285 HydrophobicContact CE-CB 3.97Å; M274-P285 HydrophobicContact CE-CG 3.63Å | ||
| 286 | I | 82.6 | Confident | 86.8 | Confident | 96 Ų | 96 | 54.7 Ų | 54.7 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | trans | -96.3 | 143.7 | -174.4 | -63 | 169.8 | 0 | 0 | 0 | 109.6 | K200 D284 | K200-I286 WeakPolarHBondContact CD-O 3.28Å; K200-I286 PolarHBondContact NZ-O 2.92Å; D284-I286 VanDerWaalsContact C-N 3.29Å; D284-I286 PolarHBondContact O-N 2.91Å | ||
| 287 | A | 80 | Confident | 86.6 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 31% | 0.314 | C | S | . | . | trans | -109.1 | 124 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | K200 D205 R247 G289 R290 | K200-A287 HydrophobicContact CD-CB 4.26Å; D205-A287 HydrophobicContact CB-CB 4.22Å; R247-A287 VanDerWaalsContact NH2-CB 3.3Å; A287-G289 PolarHBondContact O-N 3.08Å; A287-R290 HydrophobicContact CB-CB 4.19Å; A287-R290 HydrophobicContact CB-CG 4.18Å; A287-R290 PolarHBondContact O-N 3.04Å | ||
| 288 | Y | 73.5 | Confident | 86.5 | Confident | 170 Ų | 170 | 59.4 Ų | 59.4 | 67% | 0.667 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 120.6 | -175.7 | -71.9 | -82.3 | 0 | 0 | 0 | 110.2 | D205 | D205-Y288 PolarHBondContact OD1-N 2.77Š|
| 289 | G | 71.6 | Confident | 86.4 | Confident | 88 Ų | 88 | 59.5 Ų | 59.5 | 91% | 0.907 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 16.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A287 | A287-G289 PolarHBondContact O-N 3.08Š|
| 290 | R | 83.7 | Confident | 86.3 | Confident | 57 Ų | 57 | 60.6 Ų | 60.6 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | trans | -117.7 | 148.7 | 163.2 | -62 | -173.4 | 72 | 124.8 | 20.2 | 109.9 | N206 H250 A287 D295 | N206-R290 PolarHBondContact ND2-NH1 3.03Å; N206-R290 PolarHBondContact OD1-NH1 3.45Å; H250-R290 PolarHBondContact CD2-NH1 2.89Å; H250-R290 PolarHBondContact NE2-NH1 3.31Å; A287-R290 HydrophobicContact CB-CB 4.19Å; A287-R290 HydrophobicContact CB-CG 4.18Å; A287-R290 PolarHBondContact O-N 3.04Å; R290-D295 IonicContact CZ-OD2 2.69Å; R290-D295 IonicContact NE-OD2 2.62Å; R290-D295 PolarHBondContact NE-OD2 3.48Å; R290-D295 IonicContact NH2-OD2 3.2Å; R290-D295 PolarHBondContact NH2-OD2 3.34Å | ||
| 291 | D | 88 | Confident | 86.3 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | trans | -112.6 | 102.5 | 164.8 | -178.6 | -31.4 | 0 | 0 | 0 | 106.5 | A293 S294 D295 | D291-A293 PolarHBondContact O-N 3.09Å; D291-A293 VanDerWaalsContact O-N 3.15Å; D291-A293 WeakPolarHBondContact OD1-CA 3.29Å; D291-A293 WeakPolarHBondContact OD1-CB 3.2Å; D291-A293 PolarHBondContact OD1-N 3.48Å; D291-S294 PolarHBondContact O-N 2.99Å; D291-S294 PolarHBondContact OD1-N 3.18Å; D291-D295 WeakPolarHBondContact O-CB 3.37Å; D291-D295 PolarHBondContact O-N 3.28Å | ||
| 292 | D | 92.6 | Very high | 86.5 | Confident | 26 Ų | 26 | 61 Ų | 61 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.3 | -23.6 | -174.5 | -63.5 | -63.1 | 0 | 0 | 0 | 112 | R247 C254 A257 F296 | R247-D292 IonicContact CZ-OD1 3.98Å; R247-D292 IonicContact CZ-OD2 2.74Å; R247-D292 IonicContact NH1-OD1 2.61Å; R247-D292 PolarHBondContact NH1-OD1 2.92Å; R247-D292 IonicContact NH1-OD2 2.7Å; R247-D292 PolarHBondContact NH1-OD2 3.2Å; R247-D292 IonicContact NH2-OD1 2.88Å; R247-D292 PolarHBondContact NH2-OD1 3.33Å; R247-D292 IonicContact NH2-OD2 3.71Å; C254-D292 WeakPolarHBondContact CA-O 3.15Å; C254-D292 WeakPolarHBondContact CB-O 3.42Å; A257-D292 HydrophobicContact CB-CB 4.04Å; D292-F296 PolarHBondContact O-N 3Å |
| 293 | A | 90.8 | Very high | 87 | Confident | 34 Ų | 34 | 61 Ų | 61 | 28% | 0.281 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -77.5 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A257 D291 D295 F296 D297 | A257-A293 HydrophobicContact CB-CB 3.95Å; D291-A293 PolarHBondContact O-N 3.09Å; D291-A293 VanDerWaalsContact O-N 3.15Å; D291-A293 WeakPolarHBondContact OD1-CA 3.29Å; D291-A293 WeakPolarHBondContact OD1-CB 3.2Å; D291-A293 PolarHBondContact OD1-N 3.48Å; A293-D295 VanDerWaalsContact C-N 3.29Å; A293-D295 PolarHBondContact O-N 3.07Å; A293-F296 WeakPolarHBondContact O-CB 3.22Å; A293-F296 PolarHBondContact O-N 3.49Å; A293-F296 VanDerWaalsContact O-N 3.09Å; A293-D297 PolarHBondContact O-N 3.13Å |
| 294 | S | 90.3 | Very high | 87.3 | Confident | 73 Ų | 73 | 56.6 Ų | 56.6 | 51% | 0.51 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 173.7 | -170.5 | 0 | 0 | 0 | 0 | 111.9 | D291 F296 D297 E298 | D291-S294 PolarHBondContact O-N 2.99Å; D291-S294 PolarHBondContact OD1-N 3.18Å; S294-F296 PolarHBondContact O-N 2.9Å; S294-D297 PolarHBondContact O-N 2.91Å; S294-E298 PolarHBondContact O-N 3.47Å |
| 295 | D | 90.2 | Very high | 87.5 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 15% | 0.15 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.6 | -25.5 | 175 | -70.1 | -2.1 | 0 | 0 | 0 | 112 | R290 D291 A293 L299 | R290-D295 IonicContact CZ-OD2 2.69Å; R290-D295 IonicContact NE-OD2 2.62Å; R290-D295 PolarHBondContact NE-OD2 3.48Å; R290-D295 IonicContact NH2-OD2 3.2Å; R290-D295 PolarHBondContact NH2-OD2 3.34Å; D291-D295 WeakPolarHBondContact O-CB 3.37Å; D291-D295 PolarHBondContact O-N 3.28Å; A293-D295 VanDerWaalsContact C-N 3.29Å; A293-D295 PolarHBondContact O-N 3.07Å; D295-L299 VanDerWaalsContact O-CB 3.23Å; D295-L299 WeakPolarHBondContact O-CB 3.49Å; D295-L299 PolarHBondContact O-N 2.9Å |
| 296 | F | 94.5 | Very high | 87.9 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.035 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -76.9 | -38.5 | 177.2 | -177.2 | -107.9 | 0 | 0 | 0 | 113.2 | C254 F255 M259 D292 A293 S294 L299 C300 F317 | C254-F296 HydrophobicContact CB-CB 4.1Å; C254-F296 HydrophobicContact CB-CD2 4.46Å; C254-F296 WeakPolarHBondContact O-CB 3.35Å; F255-F296 VanDerWaalsContact CA-CD2 3.47Å; F255-F296 HydrophobicContact CB-CD2 3.81Å; F255-F296 HydrophobicContact CB-CE2 3.44Å; F255-F296 VanDerWaalsContact CB-CE2 3.44Å; F255-F296 HydrophobicContact CB-CZ 4.25Å; M259-F296 HydrophobicContact CE-CZ 4.45Å; M259-F296 HydrophobicContact CG-CE1 4.16Å; M259-F296 HydrophobicContact CG-CZ 3.81Å; D292-F296 PolarHBondContact O-N 3Å; A293-F296 WeakPolarHBondContact O-CB 3.22Å; A293-F296 PolarHBondContact O-N 3.49Å; A293-F296 VanDerWaalsContact O-N 3.09Å; S294-F296 PolarHBondContact O-N 2.9Å; F296-L299 HydrophobicContact CD2-CD2 4.4Å; F296-L299 WeakPolarHBondContact O-CB 3.48Å; F296-L299 PolarHBondContact O-N 2.89Å; F296-C300 WeakPolarHBondContact O-CB 3.25Å; F296-C300 PolarHBondContact O-N 2.71Å; F296-C300 PolarHBondContact O-SG 3.26Å; F296-F317 HydrophobicContact CD2-CZ 4.45Å; F296-F317 HydrophobicContact CE2-CD2 4.49Å; F296-F317 AromaticContact CE2-CE1 3.93Å; F296-F317 HydrophobicContact CE2-CE1 3.93Å; F296-F317 AromaticContact CE2-CE2 3.76Å; F296-F317 HydrophobicContact CE2-CE2 3.76Å; F296-F317 AromaticContact CE2-CZ 3.45Å; F296-F317 HydrophobicContact CE2-CZ 3.45Å; F296-F317 VanDerWaalsContact CE2-CZ 3.45Å; F296-F317 HydrophobicContact CZ-CD2 4.43Å; F296-F317 AromaticContact CZ-CE2 3.77Å; F296-F317 HydrophobicContact CZ-CE2 3.77Å; F296-F317 AromaticContact CZ-CZ 3.95Å; F296-F317 HydrophobicContact CZ-CZ 3.95Å |
| 297 | D | 89.7 | Confident | 88.2 | Confident | 106 Ų | 106 | 57.7 Ų | 57.7 | 57% | 0.567 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68.4 | -38 | 174.5 | -84.1 | -10 | 0 | 0 | 0 | 111.3 | A293 S294 T301 | A293-D297 PolarHBondContact O-N 3.13Å; S294-D297 PolarHBondContact O-N 2.91Å; D297-T301 WeakPolarHBondContact O-CB 3.35Å; D297-T301 PolarHBondContact O-N 2.77Å; D297-T301 PolarHBondContact O-OG1 3.33Å |
| 298 | E | 91 | Very high | 88.8 | Confident | 107 Ų | 107 | 58.1 Ų | 58.1 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -47.6 | 170.4 | -169.8 | -178.6 | -138.4 | 0 | 0 | 110.9 | P191 S294 C300 T301 A302 | P191-E298 HydrophobicContact CB-CG 4.01Å; P191-E298 HydrophobicContact CG-CG 3.86Å; S294-E298 PolarHBondContact O-N 3.47Å; E298-C300 PolarHBondContact O-N 2.93Å; E298-T301 PolarHBondContact O-N 2.66Å; E298-A302 WeakPolarHBondContact O-CB 3.39Å; E298-A302 PolarHBondContact O-N 3.26Å |
| 299 | L | 93.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.3 | -46.7 | 176.6 | 177.8 | 64.1 | 0 | 0 | 0 | 112.7 | V192 A195 F196 V251 D295 F296 T301 M303 F317 | V192-L299 HydrophobicContact CB-CD1 4.23Å; V192-L299 HydrophobicContact CG1-CD1 4.34Å; V192-L299 HydrophobicContact CG2-CD1 4.14Å; A195-L299 HydrophobicContact CB-CD1 3.77Å; A195-L299 HydrophobicContact CB-CD2 3.97Å; A195-L299 HydrophobicContact CB-CG 4.42Å; F196-L299 HydrophobicContact CE2-CD1 4.32Å; F196-L299 HydrophobicContact CE2-CD2 4.42Å; V251-L299 HydrophobicContact CG2-CD2 3.92Å; D295-L299 VanDerWaalsContact O-CB 3.23Å; D295-L299 WeakPolarHBondContact O-CB 3.49Å; D295-L299 PolarHBondContact O-N 2.9Å; F296-L299 HydrophobicContact CD2-CD2 4.4Å; F296-L299 WeakPolarHBondContact O-CB 3.48Å; F296-L299 PolarHBondContact O-N 2.89Å; L299-T301 VanDerWaalsContact C-N 3.35Å; L299-M303 HydrophobicContact CD1-CE 4.05Å; L299-M303 HydrophobicContact CG-CE 4.38Å; L299-M303 WeakPolarHBondContact O-CB 3.49Å; L299-M303 WeakPolarHBondContact O-CG 3.43Å; L299-M303 PolarHBondContact O-N 3.11Å; L299-F317 HydrophobicContact CD2-CE1 4.37Å |
| 300 | C | 91.9 | Very high | 90.5 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.7 | -35.7 | 179.3 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | F296 E298 K304 | F296-C300 WeakPolarHBondContact O-CB 3.25Å; F296-C300 PolarHBondContact O-N 2.71Å; F296-C300 PolarHBondContact O-SG 3.26Å; E298-C300 PolarHBondContact O-N 2.93Å; C300-K304 WeakPolarHBondContact O-CG 3.32Å; C300-K304 PolarHBondContact O-N 3.36Å |
| 301 | T | 90.1 | Very high | 90.8 | Very high | 85 Ų | 85 | 55.2 Ų | 55.2 | 52% | 0.521 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.5 | -49.5 | 175.9 | -59.3 | 0 | 0 | 0 | 0 | 111 | D297 E298 L299 M303 K304 V305 | D297-T301 WeakPolarHBondContact O-CB 3.35Å; D297-T301 PolarHBondContact O-N 2.77Å; D297-T301 PolarHBondContact O-OG1 3.33Å; E298-T301 PolarHBondContact O-N 2.66Å; L299-T301 VanDerWaalsContact C-N 3.35Å; T301-M303 VanDerWaalsContact C-N 3.35Å; T301-M303 PolarHBondContact O-N 2.9Å; T301-K304 PolarHBondContact O-N 2.87Å; T301-V305 PolarHBondContact O-N 3.27Å; T301-V305 VanDerWaalsContact O-N 3.07Å |
| 302 | A | 92.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.9 | -44 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E188 P191 V192 E298 K304 V305 L306 | E188-A302 WeakPolarHBondContact O-CB 3.44Å; P191-A302 HydrophobicContact CB-CB 4.14Å; P191-A302 HydrophobicContact CG-CB 4.35Å; V192-A302 HydrophobicContact CG2-CB 3.87Å; E298-A302 WeakPolarHBondContact O-CB 3.39Å; E298-A302 PolarHBondContact O-N 3.26Å; A302-K304 VanDerWaalsContact C-N 3.27Å; A302-K304 PolarHBondContact O-N 2.89Å; A302-V305 PolarHBondContact O-N 3.02Å; A302-L306 WeakPolarHBondContact O-CB 3.28Å; A302-L306 WeakPolarHBondContact O-CD1 3.39Å; A302-L306 VanDerWaalsContact O-CG 3.28Å; A302-L306 WeakPolarHBondContact O-CG 3.48Å; A302-L306 PolarHBondContact O-N 3.15Å |
| 303 | M | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57 | -38.2 | 174 | -79.6 | -173.2 | 175.9 | 0 | 0 | 112.8 | V192 F196 L299 T301 L306 Y307 F308 I313 I316 | V192-M303 HydrophobicContact CG1-CE 4.06Å; V192-M303 HydrophobicContact CG2-CG 4.07Å; F196-M303 HydrophobicContact CE2-CE 3.65Å; F196-M303 HydrophobicContact CZ-CE 4.07Å; L299-M303 HydrophobicContact CD1-CE 4.05Å; L299-M303 HydrophobicContact CG-CE 4.38Å; L299-M303 WeakPolarHBondContact O-CB 3.49Å; L299-M303 WeakPolarHBondContact O-CG 3.43Å; L299-M303 PolarHBondContact O-N 3.11Å; T301-M303 VanDerWaalsContact C-N 3.35Å; T301-M303 PolarHBondContact O-N 2.9Å; M303-L306 CarbonylContact O-C 3.24Å; M303-L306 PolarHBondContact O-N 2.91Å; M303-Y307 PolarHBondContact O-N 2.94Å; M303-F308 HydrophobicContact CB-CB 4.16Å; M303-F308 HydrophobicContact CB-CD2 4.29Å; M303-F308 HydrophobicContact CB-CG 4.3Å; M303-F308 HydrophobicContact CG-CD2 4.4Å; M303-F308 HydrophobicContact CG-CG 4.42Å; M303-F308 WeakPolarHBondContact O-CB 3.28Å; M303-F308 WeakPolarHBondContact O-CD2 3.38Å; M303-F308 PolarHBondContact O-N 3.22Å; M303-I313 HydrophobicContact CB-CD1 3.99Å; M303-I313 HydrophobicContact CB-CG1 4.27Å; M303-I313 HydrophobicContact SD-CG1 4.02Å; M303-I313 HydrophobicContact SD-CG2 4.38Å; M303-I316 HydrophobicContact CE-CD1 4.32Å; M303-I316 HydrophobicContact CE-CG2 4.44Å |
| 304 | K | 89.6 | Confident | 90.8 | Very high | 110 Ų | 110 | 55.7 Ų | 55.7 | 48% | 0.478 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.8 | -37.1 | 178.3 | -71.1 | -175.6 | 177.4 | -159.2 | 0 | 112.9 | C300 T301 A302 L306 Y307 D310 I313 | C300-K304 WeakPolarHBondContact O-CG 3.32Å; C300-K304 PolarHBondContact O-N 3.36Å; T301-K304 PolarHBondContact O-N 2.87Å; A302-K304 VanDerWaalsContact C-N 3.27Å; A302-K304 PolarHBondContact O-N 2.89Å; K304-L306 PolarHBondContact O-N 3.35Å; K304-Y307 PolarHBondContact O-N 3.36Å; K304-D310 WeakPolarHBondContact CE-OD1 3.4Å; K304-D310 IonicContact NZ-OD1 3.72Å; K304-D310 PolarHBondContact NZ-OD1 3.27Å; K304-I313 HydrophobicContact CG-CD1 4.08Å |
| 305 | V | 86.6 | Confident | 90.9 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 30% | 0.303 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.8 | -31.4 | 171.6 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | E188 T301 A302 Y307 | E188-V305 HydrophobicContact CB-CG1 4.45Å; E188-V305 HydrophobicContact CG-CB 4.28Å; E188-V305 HydrophobicContact CG-CG1 3.98Å; T301-V305 PolarHBondContact O-N 3.27Å; T301-V305 VanDerWaalsContact O-N 3.07Å; A302-V305 PolarHBondContact O-N 3.02Å; V305-Y307 VanDerWaalsContact C-N 3.25Å; V305-Y307 PolarHBondContact O-N 3.41Å |
| 306 | L | 89.5 | Confident | 91.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 20 | 175.7 | -63.9 | 164.4 | 0 | 0 | 0 | 113.7 | Q185 E188 V192 A302 M303 K304 F308 I412 T415 | Q185-L306 HydrophobicContact CB-CD2 4.36Å; E188-L306 HydrophobicContact CB-CG 4.43Å; V192-L306 HydrophobicContact CG2-CD1 3.83Å; A302-L306 WeakPolarHBondContact O-CB 3.28Å; A302-L306 WeakPolarHBondContact O-CD1 3.39Å; A302-L306 VanDerWaalsContact O-CG 3.28Å; A302-L306 WeakPolarHBondContact O-CG 3.48Å; A302-L306 PolarHBondContact O-N 3.15Å; M303-L306 CarbonylContact O-C 3.24Å; M303-L306 PolarHBondContact O-N 2.91Å; K304-L306 PolarHBondContact O-N 3.35Å; L306-F308 HydrophobicContact CB-CD2 3.93Å; L306-F308 HydrophobicContact CB-CE2 3.96Å; L306-F308 WeakPolarHBondContact O-CD2 3.41Å; L306-F308 PolarHBondContact O-N 3.33Å; L306-F308 VanDerWaalsContact O-N 3.12Å; L306-I412 HydrophobicContact CD1-CD1 4.45Å; L306-I412 HydrophobicContact CD1-CG1 4.21Å; L306-T415 VanDerWaalsContact O-CG2 3.32Å; L306-T415 WeakPolarHBondContact O-CG2 3.2Å |
| 307 | Y | 89.6 | Confident | 91.1 | Very high | 142 Ų | 142 | 51.4 Ų | 51.4 | 56% | 0.557 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 32.5 | 174.3 | -49.2 | -49.4 | 0 | 0 | 0 | 115.3 | M303 K304 V305 K411 T415 | M303-Y307 PolarHBondContact O-N 2.94Å; K304-Y307 PolarHBondContact O-N 3.36Å; V305-Y307 VanDerWaalsContact C-N 3.25Å; V305-Y307 PolarHBondContact O-N 3.41Å; Y307-K411 WeakPolarHBondContact O-CE 3.47Å; Y307-K411 PolarHBondContact O-NZ 2.7Å; Y307-T415 HydrophobicContact CD2-CG2 3.69Å; Y307-T415 HydrophobicContact CG-CG2 4.33Å |
| 308 | F | 92.2 | Very high | 91.2 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 5% | 0.053 | 25% | 0.247 | C | C | . | . | trans | -73.1 | 127.4 | 159.7 | -68.4 | -110.9 | 0 | 0 | 0 | 108.3 | M303 L306 I313 I316 I408 K411 I412 | M303-F308 HydrophobicContact CB-CB 4.16Å; M303-F308 HydrophobicContact CB-CD2 4.29Å; M303-F308 HydrophobicContact CB-CG 4.3Å; M303-F308 HydrophobicContact CG-CD2 4.4Å; M303-F308 HydrophobicContact CG-CG 4.42Å; M303-F308 WeakPolarHBondContact O-CB 3.28Å; M303-F308 WeakPolarHBondContact O-CD2 3.38Å; M303-F308 PolarHBondContact O-N 3.22Å; L306-F308 HydrophobicContact CB-CD2 3.93Å; L306-F308 HydrophobicContact CB-CE2 3.96Å; L306-F308 WeakPolarHBondContact O-CD2 3.41Å; L306-F308 PolarHBondContact O-N 3.33Å; L306-F308 VanDerWaalsContact O-N 3.12Å; F308-I313 HydrophobicContact CB-CD1 4.17Å; F308-I313 HydrophobicContact CB-CG1 3.85Å; F308-I316 HydrophobicContact CD1-CD1 3.7Å; F308-I316 HydrophobicContact CE1-CD1 3.77Å; F308-I408 HydrophobicContact CE1-CG1 4.28Å; F308-I408 HydrophobicContact CZ-CG2 4.07Å; F308-K411 HydrophobicContact CD1-CG 3.95Å; F308-K411 HydrophobicContact CD2-CG 4Å; F308-K411 HydrophobicContact CE1-CB 3.98Å; F308-K411 HydrophobicContact CE1-CG 3.58Å; F308-K411 HydrophobicContact CE2-CB 4.31Å; F308-K411 HydrophobicContact CE2-CG 3.63Å; F308-K411 HydrophobicContact CG-CG 4.16Å; F308-K411 HydrophobicContact CZ-CB 3.71Å; F308-K411 HydrophobicContact CZ-CG 3.41Å; F308-K411 VanDerWaalsContact CZ-CG 3.41Å; F308-I412 HydrophobicContact CE2-CG1 4.08Å; F308-I412 HydrophobicContact CZ-CG1 4.25Å | ||
| 309 | S | 91.7 | Very high | 91.4 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 37% | 0.371 | 22% | 0.224 | S | C | . | . | trans | -74.8 | 154.2 | 172.8 | 61.3 | 0 | 0 | 0 | 0 | 111 | V311 E312 I313 | S309-V311 PolarHBondContact O-N 3.05Å; S309-V311 VanDerWaalsContact O-N 3.09Å; S309-E312 WeakPolarHBondContact CB-OE2 3.38Å; S309-E312 PolarHBondContact N-OE2 2.9Å; S309-E312 WeakPolarHBondContact O-CB 3.46Å; S309-E312 PolarHBondContact O-N 2.76Å; S309-E312 WeakPolarHBondContact OG-CG 3.3Å; S309-E312 PolarHBondContact OG-N 3.08Å; S309-E312 PolarHBondContact OG-OE2 3.49Å; S309-I313 WeakPolarHBondContact O-CG1 3.33Å; S309-I313 PolarHBondContact O-N 3.42Å | ||
| 310 | D | 89.3 | Confident | 91.4 | Very high | 90 Ų | 90 | 42.1 Ų | 42.1 | 48% | 0.481 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.4 | -29.8 | 178.1 | -59.9 | -80.8 | 0 | 0 | 0 | 112.7 | K304 I313 I314 | K304-D310 WeakPolarHBondContact CE-OD1 3.4Å; K304-D310 IonicContact NZ-OD1 3.72Å; K304-D310 PolarHBondContact NZ-OD1 3.27Å; D310-I313 PolarHBondContact O-N 3.36Å; D310-I314 WeakPolarHBondContact O-CB 3.24Å; D310-I314 WeakPolarHBondContact O-CD1 3.32Å; D310-I314 WeakPolarHBondContact O-CG1 3.44Å; D310-I314 PolarHBondContact O-N 2.91Å |
| 311 | V | 88.6 | Confident | 91.6 | Very high | 110 Ų | 110 | 40.9 Ų | 40.9 | 67% | 0.667 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -68.6 | -40 | 174.7 | -177.6 | 0 | 0 | 0 | 0 | 112.1 | S309 S315 | S309-V311 PolarHBondContact O-N 3.05Å; S309-V311 VanDerWaalsContact O-N 3.09Å; V311-S315 WeakPolarHBondContact O-CB 3.24Å; V311-S315 PolarHBondContact O-N 2.82Å; V311-S315 PolarHBondContact O-OG 2.84Å |
| 312 | E | 91 | Very high | 91.8 | Very high | 63 Ų | 63 | 36.9 Ų | 36.9 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 173.3 | -71.3 | 164.1 | 116.1 | 0 | 0 | 110.7 | S309 S315 I316 K411 | S309-E312 WeakPolarHBondContact CB-OE2 3.38Å; S309-E312 PolarHBondContact N-OE2 2.9Å; S309-E312 WeakPolarHBondContact O-CB 3.46Å; S309-E312 PolarHBondContact O-N 2.76Å; S309-E312 WeakPolarHBondContact OG-CG 3.3Å; S309-E312 PolarHBondContact OG-N 3.08Å; S309-E312 PolarHBondContact OG-OE2 3.49Å; E312-S315 WeakPolarHBondContact O-CB 3.48Å; E312-S315 PolarHBondContact O-N 2.9Å; E312-I316 WeakPolarHBondContact O-CD1 3.46Å; E312-I316 VanDerWaalsContact O-CG1 3.25Å; E312-I316 WeakPolarHBondContact O-CG1 3.14Å; E312-I316 PolarHBondContact O-N 2.75Å; E312-K411 IonicContact OE1-NZ 3.62Å; E312-K411 PolarHBondContact OE1-NZ 3Å; E312-K411 IonicContact OE2-NZ 2.74Å; E312-K411 PolarHBondContact OE2-NZ 3.2Å |
| 313 | I | 92.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.062 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.8 | -48.3 | 178.2 | -64.1 | 172 | 0 | 0 | 0 | 110.9 | M303 K304 F308 S309 D310 S315 I316 F317 | M303-I313 HydrophobicContact CB-CD1 3.99Å; M303-I313 HydrophobicContact CB-CG1 4.27Å; M303-I313 HydrophobicContact SD-CG1 4.02Å; M303-I313 HydrophobicContact SD-CG2 4.38Å; K304-I313 HydrophobicContact CG-CD1 4.08Å; F308-I313 HydrophobicContact CB-CD1 4.17Å; F308-I313 HydrophobicContact CB-CG1 3.85Å; S309-I313 WeakPolarHBondContact O-CG1 3.33Å; S309-I313 PolarHBondContact O-N 3.42Å; D310-I313 PolarHBondContact O-N 3.36Å; I313-S315 VanDerWaalsContact C-N 3.3Å; I313-S315 PolarHBondContact O-N 2.88Å; I313-I316 PolarHBondContact O-N 2.94Å; I313-F317 HydrophobicContact CG2-CD2 3.85Å; I313-F317 HydrophobicContact CG2-CE2 3.3Å; I313-F317 HydrophobicContact CG2-CZ 3.93Å; I313-F317 WeakPolarHBondContact O-CD2 3.38Å; I313-F317 WeakPolarHBondContact O-CG 3.5Å; I313-F317 PolarHBondContact O-N 2.92Å |
| 314 | I | 89.6 | Confident | 92 | Very high | 92 Ų | 92 | 36.9 Ų | 36.9 | 47% | 0.472 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62 | -38.4 | 175.5 | -69.2 | 164.6 | 0 | 0 | 0 | 111.1 | M267 D310 S318 | M267-I314 HydrophobicContact CE-CG2 4.35Å; D310-I314 WeakPolarHBondContact O-CB 3.24Å; D310-I314 WeakPolarHBondContact O-CD1 3.32Å; D310-I314 WeakPolarHBondContact O-CG1 3.44Å; D310-I314 PolarHBondContact O-N 2.91Å; I314-S318 WeakPolarHBondContact O-CB 3.35Å; I314-S318 PolarHBondContact O-N 2.8Å; I314-S318 PolarHBondContact O-OG 3.28Å |
| 315 | S | 91.3 | Very high | 92.3 | Very high | 14 Ų | 14 | 32 Ų | 32 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.9 | -41.4 | 177 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | V311 E312 I313 S318 L319 | V311-S315 WeakPolarHBondContact O-CB 3.24Å; V311-S315 PolarHBondContact O-N 2.82Å; V311-S315 PolarHBondContact O-OG 2.84Å; E312-S315 WeakPolarHBondContact O-CB 3.48Å; E312-S315 PolarHBondContact O-N 2.9Å; I313-S315 VanDerWaalsContact C-N 3.3Å; I313-S315 PolarHBondContact O-N 2.88Å; S315-S318 PolarHBondContact O-N 3.45Å; S315-L319 WeakPolarHBondContact O-CG 3.42Å; S315-L319 PolarHBondContact O-N 3.04Å; S315-L319 VanDerWaalsContact O-N 3.07Å |
| 316 | I | 94.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.7 | -52 | 174.8 | -72 | 160.2 | 0 | 0 | 0 | 110.3 | F196 M303 F308 E312 I313 S318 L319 L320 L404 I408 M553 | F196-I316 HydrophobicContact CE1-CG2 4.01Å; F196-I316 HydrophobicContact CZ-CG2 3.52Å; M303-I316 HydrophobicContact CE-CD1 4.32Å; M303-I316 HydrophobicContact CE-CG2 4.44Å; F308-I316 HydrophobicContact CD1-CD1 3.7Å; F308-I316 HydrophobicContact CE1-CD1 3.77Å; E312-I316 WeakPolarHBondContact O-CD1 3.46Å; E312-I316 VanDerWaalsContact O-CG1 3.25Å; E312-I316 WeakPolarHBondContact O-CG1 3.14Å; E312-I316 PolarHBondContact O-N 2.75Å; I313-I316 PolarHBondContact O-N 2.94Å; I316-S318 PolarHBondContact O-N 2.83Å; I316-L319 PolarHBondContact O-N 2.86Å; I316-L320 PolarHBondContact O-N 3.1Å; I316-L320 VanDerWaalsContact O-N 3.16Å; I316-L404 HydrophobicContact CB-CD1 4.36Å; I316-L404 HydrophobicContact CG1-CD1 3.98Å; I316-L404 HydrophobicContact CG2-CD1 4.25Å; I316-I408 HydrophobicContact CD1-CD1 4.45Å; I316-I408 HydrophobicContact CD1-CG1 4.21Å; I316-I408 HydrophobicContact CG2-CD1 4.2Å; I316-M553 HydrophobicContact CG1-CE 3.75Å; I316-M553 HydrophobicContact CG1-SD 3.99Å |
| 317 | F | 94.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.3 | -33.5 | -179.3 | -60.3 | -35.6 | 0 | 0 | 0 | 112.8 | F255 M259 M267 F296 L299 I313 L319 L320 A321 | F255-F317 HydrophobicContact CB-CD1 4.45Å; F255-F317 HydrophobicContact CD2-CB 4.19Å; F255-F317 HydrophobicContact CD2-CD1 4.44Å; F255-F317 HydrophobicContact CD2-CG 4.45Å; M259-F317 HydrophobicContact CE-CB 3.6Å; M259-F317 HydrophobicContact CE-CD2 3.54Å; M259-F317 HydrophobicContact CE-CE2 4.41Å; M259-F317 HydrophobicContact CE-CG 3.76Å; M267-F317 HydrophobicContact CE-CB 4.06Å; M267-F317 HydrophobicContact SD-CB 4.27Å; F296-F317 HydrophobicContact CD2-CZ 4.45Å; F296-F317 HydrophobicContact CE2-CD2 4.49Å; F296-F317 AromaticContact CE2-CE1 3.93Å; F296-F317 HydrophobicContact CE2-CE1 3.93Å; F296-F317 AromaticContact CE2-CE2 3.76Å; F296-F317 HydrophobicContact CE2-CE2 3.76Å; F296-F317 AromaticContact CE2-CZ 3.45Å; F296-F317 HydrophobicContact CE2-CZ 3.45Å; F296-F317 VanDerWaalsContact CE2-CZ 3.45Å; F296-F317 HydrophobicContact CZ-CD2 4.43Å; F296-F317 AromaticContact CZ-CE2 3.77Å; F296-F317 HydrophobicContact CZ-CE2 3.77Å; F296-F317 AromaticContact CZ-CZ 3.95Å; F296-F317 HydrophobicContact CZ-CZ 3.95Å; L299-F317 HydrophobicContact CD2-CE1 4.37Å; I313-F317 HydrophobicContact CG2-CD2 3.85Å; I313-F317 HydrophobicContact CG2-CE2 3.3Å; I313-F317 HydrophobicContact CG2-CZ 3.93Å; I313-F317 WeakPolarHBondContact O-CD2 3.38Å; I313-F317 WeakPolarHBondContact O-CG 3.5Å; I313-F317 PolarHBondContact O-N 2.92Å; F317-L319 VanDerWaalsContact C-N 3.32Å; F317-L319 PolarHBondContact O-N 2.95Å; F317-L320 HydrophobicContact CD1-CD1 4.27Å; F317-L320 PolarHBondContact O-N 3.24Å; F317-A321 WeakPolarHBondContact O-CB 3.39Å; F317-A321 PolarHBondContact O-N 3.36Å |
| 318 | S | 91.8 | Very high | 93 | Very high | 18 Ų | 18 | 24.5 Ų | 24.5 | 13% | 0.126 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 172.1 | -59.1 | 0 | 0 | 0 | 0 | 112 | I314 S315 I316 A321 A322 I356 | I314-S318 WeakPolarHBondContact O-CB 3.35Å; I314-S318 PolarHBondContact O-N 2.8Å; I314-S318 PolarHBondContact O-OG 3.28Å; S315-S318 PolarHBondContact O-N 3.45Å; I316-S318 PolarHBondContact O-N 2.83Å; S318-A321 PolarHBondContact O-N 3.25Å; S318-A322 WeakPolarHBondContact O-CB 3.46Å; S318-A322 PolarHBondContact O-N 3.5Å; S318-I356 WeakPolarHBondContact O-CG2 3.46Å |
| 319 | L | 94.2 | Very high | 93 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68 | -36.4 | 176.2 | -70.2 | 168.4 | 0 | 0 | 0 | 112.3 | S315 I316 F317 I323 L357 L400 L404 L551 M553 L554 L557 | S315-L319 WeakPolarHBondContact O-CG 3.42Å; S315-L319 PolarHBondContact O-N 3.04Å; S315-L319 VanDerWaalsContact O-N 3.07Å; I316-L319 PolarHBondContact O-N 2.86Å; F317-L319 VanDerWaalsContact C-N 3.32Å; F317-L319 PolarHBondContact O-N 2.95Å; L319-I323 WeakPolarHBondContact O-CD1 3.47Å; L319-I323 WeakPolarHBondContact O-CG1 3.11Å; L319-I323 PolarHBondContact O-N 3.18Å; L319-I323 VanDerWaalsContact O-N 3.11Å; L319-L357 HydrophobicContact CD2-CD2 3.82Å; L319-L400 HydrophobicContact CD2-CD2 4.48Å; L319-L404 HydrophobicContact CB-CD2 4.11Å; L319-L404 HydrophobicContact CD1-CD1 4.02Å; L319-L551 HydrophobicContact CD2-CD2 3.93Å; L319-L551 HydrophobicContact CG-CD2 4.1Å; L319-M553 HydrophobicContact CD1-CE 4.42Å; L319-M553 HydrophobicContact CD1-CG 4.12Å; L319-M553 HydrophobicContact CD1-SD 3.79Å; L319-L554 HydrophobicContact CD2-CB 4.41Å; L319-L554 HydrophobicContact CD2-CD1 4.1Å; L319-L557 HydrophobicContact CD1-CD1 3.68Å |
| 320 | L | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.8 | -43.2 | 172.6 | -63.8 | -179.9 | 0 | 0 | 0 | 112.1 | F196 V251 F252 F255 I316 F317 A322 I323 L324 Y401 L404 | F196-L320 HydrophobicContact CE1-CD1 3.93Å; F196-L320 HydrophobicContact CE1-CD2 4.23Å; F196-L320 HydrophobicContact CE1-CG 4.44Å; F196-L320 HydrophobicContact CZ-CD1 4.06Å; V251-L320 HydrophobicContact CB-CD1 4.36Å; V251-L320 HydrophobicContact CG1-CD1 3.93Å; V251-L320 HydrophobicContact CG1-CD2 4.47Å; V251-L320 HydrophobicContact CG2-CD1 3.51Å; F252-L320 HydrophobicContact CD1-CB 4.36Å; F252-L320 HydrophobicContact CD1-CD2 4.4Å; F252-L320 HydrophobicContact CE1-CB 4.07Å; F252-L320 HydrophobicContact CE1-CD2 3.72Å; F252-L320 HydrophobicContact CE1-CG 4.43Å; F252-L320 HydrophobicContact CZ-CD2 3.94Å; F255-L320 HydrophobicContact CE2-CB 4.31Å; F255-L320 HydrophobicContact CZ-CB 4.12Å; I316-L320 PolarHBondContact O-N 3.1Å; I316-L320 VanDerWaalsContact O-N 3.16Å; F317-L320 HydrophobicContact CD1-CD1 4.27Å; F317-L320 PolarHBondContact O-N 3.24Å; L320-A322 VanDerWaalsContact C-N 3.32Å; L320-A322 PolarHBondContact O-N 3.04Å; L320-I323 HydrophobicContact CD2-CD1 4.48Å; L320-I323 PolarHBondContact O-N 2.85Å; L320-I323 VanDerWaalsContact O-N 3.16Å; L320-L324 PolarHBondContact O-N 2.98Å; L320-Y401 HydrophobicContact CD2-CD2 3.83Å; L320-Y401 HydrophobicContact CD2-CE2 3.67Å; L320-L404 HydrophobicContact CD2-CD2 3.68Å; L320-L404 HydrophobicContact CG-CD2 4.04Å |
| 321 | A | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.2 | -44.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F255 M267 L269 F317 S318 I323 L324 H325 I356 | F255-A321 HydrophobicContact CE2-CB 4.34Å; M267-A321 HydrophobicContact CB-CB 4.06Å; M267-A321 HydrophobicContact SD-CB 4.06Å; L269-A321 HydrophobicContact CD1-CB 3.9Å; L269-A321 HydrophobicContact CD2-CB 4.03Å; L269-A321 HydrophobicContact CG-CB 4.21Å; F317-A321 WeakPolarHBondContact O-CB 3.39Å; F317-A321 PolarHBondContact O-N 3.36Å; S318-A321 PolarHBondContact O-N 3.25Å; A321-I323 PolarHBondContact O-N 3.34Å; A321-L324 PolarHBondContact O-N 2.89Å; A321-H325 PolarHBondContact O-CD2 3.29Å; A321-H325 PolarHBondContact O-N 2.9Å; A321-I356 HydrophobicContact CB-CD1 4.43Å |
| 322 | A | 94.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.008 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62 | -39.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S318 L320 H325 L326 I356 L357 | S318-A322 WeakPolarHBondContact O-CB 3.46Å; S318-A322 PolarHBondContact O-N 3.5Å; L320-A322 VanDerWaalsContact C-N 3.32Å; L320-A322 PolarHBondContact O-N 3.04Å; A322-H325 PolarHBondContact O-N 2.67Å; A322-L326 WeakPolarHBondContact O-CB 3.48Å; A322-L326 PolarHBondContact O-N 2.81Å; A322-I356 HydrophobicContact CB-CB 4.43Å; A322-I356 HydrophobicContact CB-CG2 4Å; A322-L357 HydrophobicContact CB-CD1 4.38Å; A322-L357 HydrophobicContact CB-CD2 3.4Å; A322-L357 VanDerWaalsContact CB-CD2 3.4Å; A322-L357 HydrophobicContact CB-CG 3.72Å |
| 323 | I | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 175 | -69.8 | 161.2 | 0 | 0 | 0 | 111 | V239 F252 Y278 L319 L320 A321 L326 G327 A397 L400 Y401 | V239-I323 HydrophobicContact CG1-CG2 3.78Å; F252-I323 HydrophobicContact CE1-CB 4.38Å; F252-I323 HydrophobicContact CE1-CG2 4.13Å; F252-I323 HydrophobicContact CZ-CG2 3.98Å; Y278-I323 HydrophobicContact CD2-CG2 4.11Å; Y278-I323 VanDerWaalsContact CD2-O 3.28Å; Y278-I323 WeakPolarHBondContact CD2-O 3.42Å; Y278-I323 HydrophobicContact CE2-CG2 4.24Å; Y278-I323 VanDerWaalsContact CE2-O 3.25Å; Y278-I323 WeakPolarHBondContact CE2-O 3.46Å; L319-I323 WeakPolarHBondContact O-CD1 3.47Å; L319-I323 WeakPolarHBondContact O-CG1 3.11Å; L319-I323 PolarHBondContact O-N 3.18Å; L319-I323 VanDerWaalsContact O-N 3.11Å; L320-I323 HydrophobicContact CD2-CD1 4.48Å; L320-I323 PolarHBondContact O-N 2.85Å; L320-I323 VanDerWaalsContact O-N 3.16Å; A321-I323 PolarHBondContact O-N 3.34Å; I323-L326 WeakPolarHBondContact O-CB 3.39Å; I323-L326 PolarHBondContact O-N 2.93Å; I323-G327 PolarHBondContact O-N 3.35Å; I323-A397 HydrophobicContact CG2-CB 4.28Å; I323-L400 HydrophobicContact CD1-CB 3.9Å; I323-L400 HydrophobicContact CG1-CB 4.06Å; I323-L400 HydrophobicContact CG1-CD1 4.06Å; I323-Y401 HydrophobicContact CD1-CD2 4.14Å |
| 324 | L | 95.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.9 | -45.5 | 177.8 | -69.5 | -169.7 | 0 | 0 | 0 | 112.7 | F252 F255 L256 Y276 L279 L320 A321 L326 G327 | F252-L324 HydrophobicContact CD1-CD1 4.24Å; F252-L324 HydrophobicContact CD1-CD2 3.59Å; F252-L324 HydrophobicContact CD1-CG 3.84Å; F252-L324 HydrophobicContact CE1-CD2 3.94Å; F252-L324 HydrophobicContact CE1-CG 4.16Å; F252-L324 HydrophobicContact CG-CD2 4.22Å; F255-L324 HydrophobicContact CE1-CD1 3.8Å; F255-L324 HydrophobicContact CZ-CD1 3.87Å; L256-L324 HydrophobicContact CD1-CD1 4.07Å; L256-L324 HydrophobicContact CD2-CD1 4.4Å; L256-L324 HydrophobicContact CG-CD1 4.44Å; Y276-L324 HydrophobicContact CD1-CB 3.63Å; Y276-L324 HydrophobicContact CD1-CD1 4.22Å; Y276-L324 HydrophobicContact CD1-CG 4.43Å; Y276-L324 HydrophobicContact CD2-CD1 4.21Å; Y276-L324 HydrophobicContact CE1-CB 4Å; Y276-L324 HydrophobicContact CE1-CD1 4.29Å; Y276-L324 HydrophobicContact CE2-CD1 4.32Å; Y276-L324 HydrophobicContact CG-CB 4.13Å; Y276-L324 HydrophobicContact CG-CD1 4.14Å; Y276-L324 HydrophobicContact CG-CD2 4.5Å; L279-L324 HydrophobicContact CD1-CD1 4.04Å; L279-L324 HydrophobicContact CD1-CD2 3.82Å; L279-L324 HydrophobicContact CD2-CD2 4Å; L279-L324 HydrophobicContact CG-CD2 3.76Å; L320-L324 PolarHBondContact O-N 2.98Å; A321-L324 PolarHBondContact O-N 2.89Å; L324-L326 VanDerWaalsContact C-N 3.33Å; L324-L326 PolarHBondContact O-N 2.95Å; L324-G327 PolarHBondContact O-N 3.3Å |
| 325 | H | 95.2 | Very high | 91 | Very high | 7 Ų | 7 | 23.7 Ų | 23.7 | 3% | 0.032 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.8 | -33.4 | 176.2 | -70.1 | -53.5 | 0 | 0 | 0 | 112.6 | M267 E268 A321 A322 G327 N328 K352 V353 I356 | M267-H325 PolarHBondContact O-NE2 2.82Å; M267-H325 VanDerWaalsContact O-NE2 3.12Å; E268-H325 PolarHBondContact O-CE1 2.89Å; E268-H325 PolarHBondContact O-NE2 3Å; A321-H325 PolarHBondContact O-CD2 3.29Å; A321-H325 PolarHBondContact O-N 2.9Å; A322-H325 PolarHBondContact O-N 2.67Å; H325-G327 PolarHBondContact O-N 3.14Å; H325-N328 WeakPolarHBondContact O-CB 3.25Å; H325-N328 PolarHBondContact O-N 3.36Å; H325-N328 VanDerWaalsContact O-N 3.15Å; H325-K352 HydrophobicContact CB-CB 4.23Å; H325-K352 VanDerWaalsContact CE1-CD 3.44Å; H325-K352 WeakPolarHBondContact CE1-CD 3.25Å; H325-V353 HydrophobicContact CB-CG2 3.67Å; H325-I356 VanDerWaalsContact CD2-CD1 3.48Å; H325-I356 WeakPolarHBondContact CD2-CD1 3.23Å |
| 326 | L | 93.6 | Very high | 90 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 176.8 | -170.6 | 78 | 0 | 0 | 0 | 111.6 | A322 I323 L324 N328 I329 V353 L368 R393 L396 A397 | A322-L326 WeakPolarHBondContact O-CB 3.48Å; A322-L326 PolarHBondContact O-N 2.81Å; I323-L326 WeakPolarHBondContact O-CB 3.39Å; I323-L326 PolarHBondContact O-N 2.93Å; L324-L326 VanDerWaalsContact C-N 3.33Å; L324-L326 PolarHBondContact O-N 2.95Å; L326-N328 PolarHBondContact O-N 3.48Å; L326-I329 HydrophobicContact CD1-CD1 3.73Å; L326-I329 HydrophobicContact CG-CD1 4.5Å; L326-I329 WeakPolarHBondContact O-CB 3.45Å; L326-I329 WeakPolarHBondContact O-CG1 3.48Å; L326-I329 PolarHBondContact O-N 3.34Å; L326-I329 VanDerWaalsContact O-N 3.09Å; L326-V353 HydrophobicContact CB-CG2 4.08Å; L326-V353 HydrophobicContact CD1-CG1 4.04Å; L326-V353 HydrophobicContact CD1-CG2 4.34Å; L326-L368 HydrophobicContact CD1-CD1 4.41Å; L326-R393 HydrophobicContact CD1-CG 4.35Å; L326-R393 HydrophobicContact CD2-CG 4.34Å; L326-R393 WeakPolarHBondContact CD2-O 3.24Å; L326-R393 HydrophobicContact CG-CG 3.85Å; L326-R393 WeakPolarHBondContact O-CD 3.5Å; L326-L396 HydrophobicContact CD1-CD2 3.83Å; L326-L396 HydrophobicContact CD2-CB 4Å; L326-L396 HydrophobicContact CD2-CD2 3.74Å; L326-L396 HydrophobicContact CD2-CG 3.8Å; L326-L396 HydrophobicContact CG-CD2 4.48Å; L326-A397 HydrophobicContact CD2-CB 4.12Å |
| 327 | G | 92.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -24 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y277 Y278 I323 L324 H325 I329 R393 | Y277-G327 WeakPolarHBondContact CB-O 3.43Å; Y277-G327 WeakPolarHBondContact CD1-O 3.19Å; Y278-G327 VanDerWaalsContact CE2-N 3.35Å; I323-G327 PolarHBondContact O-N 3.35Å; L324-G327 PolarHBondContact O-N 3.3Å; H325-G327 PolarHBondContact O-N 3.14Å; G327-I329 VanDerWaalsContact C-N 3.33Å; G327-R393 PolarHBondContact O-NH1 3.44Å |
| 328 | N | 93.9 | Very high | 87.4 | Confident | 33 Ų | 33 | 41.7 Ų | 41.7 | 18% | 0.176 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -5.2 | 177.1 | -80.4 | -8.7 | 0 | 0 | 0 | 114.1 | H275 Y277 H325 L326 R330 N346 | H275-N328 PolarHBondContact O-ND2 3.48Å; Y277-N328 PolarHBondContact N-OD1 2.94Å; H325-N328 WeakPolarHBondContact O-CB 3.25Å; H325-N328 PolarHBondContact O-N 3.36Å; H325-N328 VanDerWaalsContact O-N 3.15Å; L326-N328 PolarHBondContact O-N 3.48Å; N328-R330 PolarHBondContact O-N 2.92Å; N328-N346 PolarHBondContact O-ND2 3.5Å |
| 329 | I | 93.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -65.5 | 127.7 | 172 | -63.2 | 175 | 0 | 0 | 0 | 109.8 | L326 G327 Y331 I344 A349 V350 L368 R393 | L326-I329 HydrophobicContact CD1-CD1 3.73Å; L326-I329 HydrophobicContact CG-CD1 4.5Å; L326-I329 WeakPolarHBondContact O-CB 3.45Å; L326-I329 WeakPolarHBondContact O-CG1 3.48Å; L326-I329 PolarHBondContact O-N 3.34Å; L326-I329 VanDerWaalsContact O-N 3.09Å; G327-I329 VanDerWaalsContact C-N 3.33Å; I329-Y331 HydrophobicContact CG2-CE1 3.96Å; I329-Y331 HydrophobicContact CG2-CE2 4.37Å; I329-I344 HydrophobicContact CG2-CD1 4.19Å; I329-I344 HydrophobicContact CG2-CG1 4.24Å; I329-I344 HydrophobicContact CG2-CG2 3.86Å; I329-A349 HydrophobicContact CG1-CB 4Å; I329-V350 HydrophobicContact CD1-CG2 4.09Å; I329-V350 HydrophobicContact CG1-CG2 4.21Å; I329-L368 HydrophobicContact CD1-CD1 3.99Å; I329-R393 PolarHBondContact O-NH1 3.29Å; I329-R393 VanDerWaalsContact O-NH1 3.14Å | ||
| 330 | R | 89.7 | Confident | 85.4 | Confident | 175 Ų | 175 | 53.9 Ų | 53.9 | 66% | 0.66 | 29% | 0.288 | S | S | * | . | trans | -120.1 | 139.3 | 179.5 | -60.4 | -179.2 | -175.4 | 179.3 | 2 | 110.8 | N328 K345 N346 | N328-R330 PolarHBondContact O-N 2.92Å; R330-K345 HydrophobicContact CB-CB 4.5Å; R330-K345 PolarHBondContact O-N 3.06Å; R330-N346 PolarHBondContact N-OD1 2.91Å | ||
| 331 | Y | 89.4 | Confident | 84.7 | Confident | 27 Ų | 27 | 54 Ų | 54 | 11% | 0.106 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 156.2 | -174.5 | -62.8 | -67.9 | 0 | 0 | 0 | 113 | I329 T342 E343 I344 T369 S389 L390 R393 | I329-Y331 HydrophobicContact CG2-CE1 3.96Å; I329-Y331 HydrophobicContact CG2-CE2 4.37Å; Y331-T342 HydrophobicContact CD1-CG2 3.44Å; Y331-T342 VanDerWaalsContact CD1-CG2 3.44Å; Y331-T342 HydrophobicContact CE1-CG2 4.3Å; Y331-T342 HydrophobicContact CG-CG2 3.74Å; Y331-E343 CarbonylContact C-O 3.58Å; Y331-E343 VanDerWaalsContact CA-O 3.29Å; Y331-E343 WeakPolarHBondContact CA-O 3.27Å; Y331-I344 HydrophobicContact CD1-CG1 3.7Å; Y331-I344 HydrophobicContact CE1-CD1 4.04Å; Y331-I344 HydrophobicContact CE1-CG1 3.57Å; Y331-T369 HydrophobicContact CE1-CG2 4.23Å; Y331-S389 VanDerWaalsContact CE2-C 3.43Å; Y331-S389 WeakPolarHBondContact CE2-O 3.14Å; Y331-S389 PolarHBondContact OH-O 3.04Å; Y331-L390 HydrophobicContact CD2-CD2 3.78Å; Y331-L390 HydrophobicContact CD2-CG 3.84Å; Y331-L390 HydrophobicContact CE2-CD2 3.89Å; Y331-L390 HydrophobicContact CE2-CG 4.05Å; Y331-R393 HydrophobicContact CE2-CB 4.5Å |
| 332 | S | 83.5 | Confident | 84.3 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.5 | 157 | -28 | 0 | 0 | 0 | 0 | 109.5 | T342 E343 K345 | S332-T342 WeakPolarHBondContact O-CA 3.39Å; S332-E343 WeakPolarHBondContact CB-OE1 3.44Å; S332-E343 PolarHBondContact N-O 2.87Å; S332-E343 PolarHBondContact O-N 3.21Å; S332-E343 VanDerWaalsContact O-N 3.11Å; S332-E343 VanDerWaalsContact OG-CG 3.27Å; S332-E343 WeakPolarHBondContact OG-CG 3.39Å; S332-E343 PolarHBondContact OG-OE1 3Å; S332-K345 WeakPolarHBondContact OG-CE 3.21Å; S332-K345 WeakPolarHBondContact OG-CG 3.32Å |
| 333 | A | 81.4 | Confident | 83.9 | Confident | 75 Ų | 75 | 59.3 Ų | 59.3 | 62% | 0.62 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 135.5 | 156 | 0 | 0 | 0 | 0 | 0 | 109.1 | A386 | A333-A386 HydrophobicContact CB-CB 4.49Å |
| 334 | T | 81.2 | Confident | 83.5 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 172.1 | 175.4 | 53.9 | 0 | 0 | 0 | 0 | 108.7 | A341 E343 | T334-A341 PolarHBondContact N-O 3.35Å; T334-A341 PolarHBondContact O-N 2.89Å; T334-A341 VanDerWaalsContact O-O 3.14Å; T334-A341 PolarHBondContact OG1-O 2.76Å; T334-E343 HydrophobicContact CG2-CB 4.23Å; T334-E343 HydrophobicContact CG2-CG 3.7Å |
| 335 | A | 75.1 | Confident | 82.9 | Confident | 82 Ų | 82 | 67.8 Ų | 67.8 | 68% | 0.678 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | H339 | A335-H339 WeakPolarHBondContact CA-O 3.22Å |
| 336 | I | 69.8 | Low | 82.5 | Confident | 88 Ų | 88 | 69.3 Ų | 69.3 | 45% | 0.451 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121.6 | 172.7 | -61.3 | 177.5 | 0 | 0 | 0 | 106.9 | N338 H339 A341 | I336-N338 VanDerWaalsContact C-N 3.28Å; I336-N338 PolarHBondContact O-N 2.99Å; I336-H339 PolarHBondContact N-O 3.25Å; I336-H339 PolarHBondContact O-N 3.38Å; I336-A341 HydrophobicContact CB-CB 3.99Å; I336-A341 HydrophobicContact CD1-CB 3.73Å; I336-A341 HydrophobicContact CG1-CB 3.72Å |
| 337 | N | 63.6 | Low | 82 | Confident | 143 Ų | 143 | 72.1 Ų | 72.1 | 77% | 0.765 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 43 | -178.4 | -58 | -18.2 | 0 | 0 | 0 | 113.7 | H339 | N337-H339 PolarHBondContact O-CD2 2.96Å; N337-H339 VanDerWaalsContact O-CD2 3.32Å; N337-H339 PolarHBondContact O-N 3.35Å; N337-H339 VanDerWaalsContact O-N 3.14Å |
| 338 | N | 71.5 | Confident | 81.7 | Confident | 166 Ų | 166 | 76 Ų | 76 | 89% | 0.888 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 11.4 | -175.4 | -61.7 | -15.6 | 0 | 0 | 0 | 116 | I336 | I336-N338 VanDerWaalsContact C-N 3.28Å; I336-N338 PolarHBondContact O-N 2.99Å |
| 339 | H | 67.7 | Low | 81.4 | Confident | 138 Ų | 138 | 74.8 Ų | 74.8 | 64% | 0.639 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 145.7 | 167.7 | -64.8 | -72.3 | 0 | 0 | 0 | 110.6 | A335 I336 N337 A341 | A335-H339 WeakPolarHBondContact CA-O 3.22Å; I336-H339 PolarHBondContact N-O 3.25Å; I336-H339 PolarHBondContact O-N 3.38Å; N337-H339 PolarHBondContact O-CD2 2.96Å; N337-H339 VanDerWaalsContact O-CD2 3.32Å; N337-H339 PolarHBondContact O-N 3.35Å; N337-H339 VanDerWaalsContact O-N 3.14Å; H339-A341 PolarHBondContact O-N 2.84Å |
| 340 | E | 75.5 | Confident | 81.2 | Confident | 138 Ų | 138 | 74.9 Ų | 74.9 | 65% | 0.645 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 128.5 | 170 | -68.4 | -170.7 | 164.9 | 0 | 0 | 109.9 | T385 | E340-T385 HydrophobicContact CB-CG2 4.14Å |
| 341 | A | 82.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.008 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 171.5 | -180 | 0 | 0 | 0 | 0 | 0 | 109.9 | T334 I336 H339 M384 | T334-A341 PolarHBondContact N-O 3.35Å; T334-A341 PolarHBondContact O-N 2.89Å; T334-A341 VanDerWaalsContact O-O 3.14Å; T334-A341 PolarHBondContact OG1-O 2.76Å; I336-A341 HydrophobicContact CB-CB 3.99Å; I336-A341 HydrophobicContact CD1-CB 3.73Å; I336-A341 HydrophobicContact CG1-CB 3.72Å; H339-A341 PolarHBondContact O-N 2.84Å; A341-M384 CarbonylContact C-O 3.59Å |
| 342 | T | 85.3 | Confident | 81.4 | Confident | 12 Ų | 12 | 72 Ų | 72 | 7% | 0.074 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 130.3 | -175.9 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | Y331 S332 T369 M384 T385 A386 S389 | Y331-T342 HydrophobicContact CD1-CG2 3.44Å; Y331-T342 VanDerWaalsContact CD1-CG2 3.44Å; Y331-T342 HydrophobicContact CE1-CG2 4.3Å; Y331-T342 HydrophobicContact CG-CG2 3.74Å; S332-T342 WeakPolarHBondContact O-CA 3.39Å; T342-T369 HydrophobicContact CG2-CG2 4.43Å; T342-T369 WeakPolarHBondContact O-CB 3.47Å; T342-T369 WeakPolarHBondContact O-CG2 3.17Å; T342-M384 WeakPolarHBondContact CB-O 3.26Å; T342-M384 PolarHBondContact N-O 3.46Å; T342-M384 PolarHBondContact OG1-O 3.25Å; T342-T385 PolarHBondContact OG1-O 3.24Å; T342-A386 HydrophobicContact CG2-CB 4.34Å; T342-A386 WeakPolarHBondContact OG1-CA 3.14Å; T342-A386 PolarHBondContact OG1-N 3.41Å; T342-S389 WeakPolarHBondContact CB-OG 3.07Å; T342-S389 PolarHBondContact OG1-OG 2.67Å |
| 343 | E | 85 | Confident | 81.9 | Confident | 102 Ų | 102 | 71.4 Ų | 71.4 | 48% | 0.477 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 162.6 | 166.8 | 69.7 | -179.6 | -171.7 | 0 | 0 | 110.4 | Y331 S332 T334 | Y331-E343 CarbonylContact C-O 3.58Å; Y331-E343 VanDerWaalsContact CA-O 3.29Å; Y331-E343 WeakPolarHBondContact CA-O 3.27Å; S332-E343 WeakPolarHBondContact CB-OE1 3.44Å; S332-E343 PolarHBondContact N-O 2.87Å; S332-E343 PolarHBondContact O-N 3.21Å; S332-E343 VanDerWaalsContact O-N 3.11Å; S332-E343 VanDerWaalsContact OG-CG 3.27Å; S332-E343 WeakPolarHBondContact OG-CG 3.39Å; S332-E343 PolarHBondContact OG-OE1 3Å; T334-E343 HydrophobicContact CG2-CB 4.23Å; T334-E343 HydrophobicContact CG2-CG 3.7Å |
| 344 | I | 88 | Confident | 82.4 | Confident | 29 Ų | 29 | 68.1 Ų | 68.1 | 15% | 0.149 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 118.3 | 174.8 | -63.6 | 172.6 | 0 | 0 | 0 | 109.5 | I329 Y331 N346 V350 V365 T369 | I329-I344 HydrophobicContact CG2-CD1 4.19Å; I329-I344 HydrophobicContact CG2-CG1 4.24Å; I329-I344 HydrophobicContact CG2-CG2 3.86Å; Y331-I344 HydrophobicContact CD1-CG1 3.7Å; Y331-I344 HydrophobicContact CE1-CD1 4.04Å; Y331-I344 HydrophobicContact CE1-CG1 3.57Å; I344-N346 VanDerWaalsContact C-N 3.34Å; I344-N346 PolarHBondContact O-N 3.2Å; I344-V350 HydrophobicContact CB-CG2 4.46Å; I344-V350 HydrophobicContact CD1-CG2 3.74Å; I344-V350 HydrophobicContact CG2-CG2 3.68Å; I344-V365 HydrophobicContact CD1-CG1 4.34Å; I344-V365 HydrophobicContact CD1-CG2 4.36Å; I344-T369 HydrophobicContact CD1-CG2 4.11Å; I344-T369 HydrophobicContact CG1-CG2 3.98Å |
| 345 | K | 84 | Confident | 82.8 | Confident | 149 Ų | 149 | 71.7 Ų | 71.7 | 65% | 0.648 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -67.3 | -30.7 | -177.3 | -70.9 | -168.1 | 174.7 | -172.6 | 0 | 113.9 | R330 S332 | R330-K345 HydrophobicContact CB-CB 4.5Å; R330-K345 PolarHBondContact O-N 3.06Å; S332-K345 WeakPolarHBondContact OG-CE 3.21Å; S332-K345 WeakPolarHBondContact OG-CG 3.32Å |
| 346 | N | 86.4 | Confident | 83.6 | Confident | 38 Ų | 38 | 68.6 Ų | 68.6 | 20% | 0.203 | 36% | 0.355 | C | S | . | . | trans | -125.4 | 76.2 | -173.8 | 61.3 | -31.3 | 0 | 0 | 0 | 111.8 | N328 R330 I344 S348 A349 | N328-N346 PolarHBondContact O-ND2 3.5Å; R330-N346 PolarHBondContact N-OD1 2.91Å; I344-N346 VanDerWaalsContact C-N 3.34Å; I344-N346 PolarHBondContact O-N 3.2Å; N346-S348 PolarHBondContact O-N 2.73Å; N346-A349 PolarHBondContact O-N 2.9Å | ||
| 347 | A | 81.7 | Confident | 84.6 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 50% | 0.496 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -52.9 | -24.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A349 V350 L351 | A347-A349 PolarHBondContact O-N 2.89Å; A347-V350 PolarHBondContact O-N 3.12Å; A347-L351 PolarHBondContact O-N 3.41Å |
| 348 | S | 87.2 | Confident | 85.9 | Confident | 83 Ų | 83 | 62.2 Ų | 62.2 | 58% | 0.58 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60 | -39.3 | 173.7 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | N346 V350 L351 K352 | N346-S348 PolarHBondContact O-N 2.73Å; S348-V350 VanDerWaalsContact C-N 3.34Å; S348-V350 PolarHBondContact O-N 2.72Å; S348-L351 PolarHBondContact O-N 3.27Å; S348-K352 PolarHBondContact O-N 2.69Å |
| 349 | A | 87.1 | Confident | 86.8 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 7% | 0.066 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I329 N346 A347 K352 V353 | I329-A349 HydrophobicContact CG1-CB 4Å; N346-A349 PolarHBondContact O-N 2.9Å; A347-A349 PolarHBondContact O-N 2.89Å; A349-K352 PolarHBondContact O-N 2.81Å; A349-V353 WeakPolarHBondContact O-CG2 3.28Å; A349-V353 PolarHBondContact O-N 3.09Å; A349-V353 VanDerWaalsContact O-N 3.12Å |
| 350 | V | 89.7 | Confident | 87.9 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 175.8 | -164.3 | 0 | 0 | 0 | 0 | 111.4 | I329 I344 A347 S348 V353 A354 Q361 L364 V365 | I329-V350 HydrophobicContact CD1-CG2 4.09Å; I329-V350 HydrophobicContact CG1-CG2 4.21Å; I344-V350 HydrophobicContact CB-CG2 4.46Å; I344-V350 HydrophobicContact CD1-CG2 3.74Å; I344-V350 HydrophobicContact CG2-CG2 3.68Å; A347-V350 PolarHBondContact O-N 3.12Å; S348-V350 VanDerWaalsContact C-N 3.34Å; S348-V350 PolarHBondContact O-N 2.72Å; V350-V353 PolarHBondContact O-N 2.69Å; V350-A354 VanDerWaalsContact O-CB 3.29Å; V350-A354 WeakPolarHBondContact O-CB 3.44Å; V350-A354 PolarHBondContact O-N 3.03Å; V350-Q361 HydrophobicContact CG1-CG 4.4Å; V350-L364 HydrophobicContact CG1-CD2 3.95Å; V350-L364 HydrophobicContact CG1-CG 4.21Å; V350-V365 HydrophobicContact CG1-CG2 3.84Å |
| 351 | L | 91.3 | Very high | 88.6 | Confident | 95 Ų | 95 | 49 Ų | 49 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 176.2 | -176.5 | 64.3 | 0 | 0 | 0 | 111.4 | A347 S348 A354 K355 | A347-L351 PolarHBondContact O-N 3.41Å; S348-L351 PolarHBondContact O-N 3.27Å; L351-A354 PolarHBondContact O-N 2.78Å; L351-K355 VanDerWaalsContact O-CB 3.28Å; L351-K355 WeakPolarHBondContact O-CB 3.48Å; L351-K355 PolarHBondContact O-N 3.29Å |
| 352 | K | 92.9 | Very high | 88.9 | Confident | 48 Ų | 48 | 54.4 Ų | 54.4 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.7 | -50.7 | 173.8 | -69 | -163.8 | 178.9 | -164.9 | 0 | 111.6 | E268 H325 S348 A349 A354 K355 I356 | E268-K352 HydrophobicContact CB-CD 3.83Å; E268-K352 HydrophobicContact CB-CG 4.38Å; E268-K352 PolarHBondContact O-NZ 2.97Å; E268-K352 WeakPolarHBondContact OE2-CE 3.26Å; E268-K352 WeakPolarHBondContact OE2-CG 3.48Å; E268-K352 IonicContact OE2-NZ 2.77Å; H325-K352 HydrophobicContact CB-CB 4.23Å; H325-K352 VanDerWaalsContact CE1-CD 3.44Å; H325-K352 WeakPolarHBondContact CE1-CD 3.25Å; S348-K352 PolarHBondContact O-N 2.69Å; A349-K352 PolarHBondContact O-N 2.81Å; K352-A354 PolarHBondContact O-N 2.66Å; K352-K355 PolarHBondContact O-N 2.86Å; K352-I356 WeakPolarHBondContact O-CB 3.29Å; K352-I356 WeakPolarHBondContact O-CD1 3.44Å; K352-I356 VanDerWaalsContact O-CG1 3.25Å; K352-I356 WeakPolarHBondContact O-CG1 3.45Å; K352-I356 PolarHBondContact O-N 2.9Å |
| 353 | V | 93 | Very high | 89 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61 | -45.6 | 178.8 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | H325 L326 A349 V350 K355 I356 L357 L364 | H325-V353 HydrophobicContact CB-CG2 3.67Å; L326-V353 HydrophobicContact CB-CG2 4.08Å; L326-V353 HydrophobicContact CD1-CG1 4.04Å; L326-V353 HydrophobicContact CD1-CG2 4.34Å; A349-V353 WeakPolarHBondContact O-CG2 3.28Å; A349-V353 PolarHBondContact O-N 3.09Å; A349-V353 VanDerWaalsContact O-N 3.12Å; V350-V353 PolarHBondContact O-N 2.69Å; V353-K355 PolarHBondContact O-N 3.06Å; V353-I356 PolarHBondContact O-N 3.47Å; V353-L357 HydrophobicContact CG1-CD1 3.65Å; V353-L357 HydrophobicContact CG1-CG 4.18Å; V353-L357 WeakPolarHBondContact O-CB 3.37Å; V353-L357 WeakPolarHBondContact O-CG 3.37Å; V353-L357 PolarHBondContact O-N 3.47Å; V353-L364 HydrophobicContact CB-CD2 4.15Å; V353-L364 HydrophobicContact CG1-CD2 3.75Å |
| 354 | A | 91.8 | Very high | 89.3 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V350 L351 K352 Q358 V359 Q361 L364 | V350-A354 VanDerWaalsContact O-CB 3.29Å; V350-A354 WeakPolarHBondContact O-CB 3.44Å; V350-A354 PolarHBondContact O-N 3.03Å; L351-A354 PolarHBondContact O-N 2.78Å; K352-A354 PolarHBondContact O-N 2.66Å; A354-Q358 WeakPolarHBondContact O-CA 3.4Å; A354-Q358 PolarHBondContact O-N 3.34Å; A354-V359 HydrophobicContact CB-CG2 4.35Å; A354-V359 PolarHBondContact O-N 3.34Å; A354-Q361 HydrophobicContact CB-CB 3.99Å; A354-Q361 HydrophobicContact CB-CG 4.25Å; A354-L364 HydrophobicContact CB-CD2 4.04Å |
| 355 | K | 90.7 | Very high | 89.4 | Confident | 119 Ų | 119 | 54.9 Ų | 54.9 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.4 | -50.4 | 175.8 | 179.3 | -177.3 | 168.3 | -172.7 | 0 | 111.6 | E268 L351 K352 V353 Q358 | E268-K355 VanDerWaalsContact OE1-CD 3.26Å; E268-K355 WeakPolarHBondContact OE1-CD 3.44Å; E268-K355 WeakPolarHBondContact OE1-CE 3.39Å; E268-K355 IonicContact OE1-NZ 2.59Å; E268-K355 PolarHBondContact OE1-NZ 3.09Å; L351-K355 VanDerWaalsContact O-CB 3.28Å; L351-K355 WeakPolarHBondContact O-CB 3.48Å; L351-K355 PolarHBondContact O-N 3.29Å; K352-K355 PolarHBondContact O-N 2.86Å; V353-K355 PolarHBondContact O-N 3.06Å; K355-Q358 PolarHBondContact O-N 3.37Å |
| 356 | I | 91.2 | Very high | 89.6 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 9% | 0.087 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.1 | -42.1 | -174.8 | -63 | 163.6 | 0 | 0 | 0 | 111.7 | M267 S318 A321 A322 H325 K352 V353 Q358 | M267-I356 WeakPolarHBondContact O-CD1 3.46Å; S318-I356 WeakPolarHBondContact O-CG2 3.46Å; A321-I356 HydrophobicContact CB-CD1 4.43Å; A322-I356 HydrophobicContact CB-CB 4.43Å; A322-I356 HydrophobicContact CB-CG2 4Å; H325-I356 VanDerWaalsContact CD2-CD1 3.48Å; H325-I356 WeakPolarHBondContact CD2-CD1 3.23Å; K352-I356 WeakPolarHBondContact O-CB 3.29Å; K352-I356 WeakPolarHBondContact O-CD1 3.44Å; K352-I356 VanDerWaalsContact O-CG1 3.25Å; K352-I356 WeakPolarHBondContact O-CG1 3.45Å; K352-I356 PolarHBondContact O-N 2.9Å; V353-I356 PolarHBondContact O-N 3.47Å; I356-Q358 PolarHBondContact O-N 2.91Å |
| 357 | L | 90.6 | Very high | 89.6 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -5.7 | 173.6 | -61.6 | -177.7 | 0 | 0 | 0 | 113.2 | L319 A322 V353 V359 S549 L554 | L319-L357 HydrophobicContact CD2-CD2 3.82Å; A322-L357 HydrophobicContact CB-CD1 4.38Å; A322-L357 HydrophobicContact CB-CD2 3.4Å; A322-L357 VanDerWaalsContact CB-CD2 3.4Å; A322-L357 HydrophobicContact CB-CG 3.72Å; V353-L357 HydrophobicContact CG1-CD1 3.65Å; V353-L357 HydrophobicContact CG1-CG 4.18Å; V353-L357 WeakPolarHBondContact O-CB 3.37Å; V353-L357 WeakPolarHBondContact O-CG 3.37Å; V353-L357 PolarHBondContact O-N 3.47Å; L357-V359 VanDerWaalsContact C-N 3.31Å; L357-V359 HydrophobicContact CB-CG1 4.28Å; L357-V359 HydrophobicContact CB-CG2 4.1Å; L357-V359 PolarHBondContact O-N 2.97Å; L357-S549 PolarHBondContact O-OG 2.84Å; L357-L554 HydrophobicContact CB-CD2 4.15Å; L357-L554 HydrophobicContact CD2-CD2 4.09Å |
| 358 | Q | 91.4 | Very high | 89.9 | Confident | 90 Ų | 90 | 46.9 Ų | 46.9 | 42% | 0.421 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 45.5 | -177.3 | -50.6 | -174.8 | 17 | 0 | 0 | 113.2 | A354 K355 I356 S549 K550 | A354-Q358 WeakPolarHBondContact O-CA 3.4Å; A354-Q358 PolarHBondContact O-N 3.34Å; K355-Q358 PolarHBondContact O-N 3.37Å; I356-Q358 PolarHBondContact O-N 2.91Å; Q358-S549 WeakPolarHBondContact O-CA 3.3Å; Q358-K550 HydrophobicContact CB-CB 3.96Å; Q358-K550 PolarHBondContact O-N 3Å; Q358-K550 VanDerWaalsContact O-N 3.15Å |
| 359 | V | 91.1 | Very high | 90 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 10% | 0.103 | 22% | 0.218 | C | C | . | . | trans | -114.6 | 162.9 | 178.8 | -64.8 | 0 | 0 | 0 | 0 | 111.4 | A354 L357 Q361 L364 V545 | A354-V359 HydrophobicContact CB-CG2 4.35Å; A354-V359 PolarHBondContact O-N 3.34Å; L357-V359 VanDerWaalsContact C-N 3.31Å; L357-V359 HydrophobicContact CB-CG1 4.28Å; L357-V359 HydrophobicContact CB-CG2 4.1Å; L357-V359 PolarHBondContact O-N 2.97Å; V359-Q361 PolarHBondContact O-N 3.37Å; V359-L364 HydrophobicContact CG2-CB 4.38Å; V359-L364 HydrophobicContact CG2-CD2 4.23Å; V359-V545 HydrophobicContact CB-CG1 3.87Å; V359-V545 HydrophobicContact CG1-CG1 3.94Å; V359-V545 HydrophobicContact CG2-CG1 3.97Å | ||
| 360 | D | 89.8 | Confident | 89.9 | Confident | 75 Ų | 75 | 44.6 Ų | 44.6 | 40% | 0.401 | 22% | 0.223 | S | C | . | . | trans | -68.4 | 128.4 | 173.8 | -178.7 | -88.4 | 0 | 0 | 0 | 111.6 | I362 K363 L364 | D360-I362 PolarHBondContact O-N 3.32Å; D360-I362 WeakPolarHBondContact OD1-CA 3.11Å; D360-I362 WeakPolarHBondContact OD1-CB 3.33Å; D360-I362 PolarHBondContact OD1-N 2.87Å; D360-K363 HydrophobicContact CB-CB 4.17Å; D360-K363 HydrophobicContact CB-CD 4.04Å; D360-K363 HydrophobicContact CB-CG 4.1Å; D360-K363 WeakPolarHBondContact OD1-CG 3.48Å; D360-K363 PolarHBondContact OD1-N 3.22Å; D360-L364 WeakPolarHBondContact O-CB 3.2Å; D360-L364 PolarHBondContact O-N 3.5Å | ||
| 361 | Q | 90.2 | Very high | 89.5 | Confident | 71 Ų | 71 | 50 Ų | 50 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.1 | -39.4 | -176.4 | -171.8 | -174.4 | 6.3 | 0 | 0 | 112.5 | V350 A354 V359 L364 V365 | V350-Q361 HydrophobicContact CG1-CG 4.4Å; A354-Q361 HydrophobicContact CB-CB 3.99Å; A354-Q361 HydrophobicContact CB-CG 4.25Å; V359-Q361 PolarHBondContact O-N 3.37Å; Q361-L364 PolarHBondContact O-N 3.06Å; Q361-V365 WeakPolarHBondContact O-CG2 3.47Å; Q361-V365 PolarHBondContact O-N 3.16Å |
| 362 | I | 88.4 | Confident | 88.9 | Confident | 116 Ų | 116 | 47.7 Ų | 47.7 | 60% | 0.595 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -70.5 | -43.7 | -176.7 | -61.7 | 170 | 0 | 0 | 0 | 109.5 | D360 L364 V365 N366 | D360-I362 PolarHBondContact O-N 3.32Å; D360-I362 WeakPolarHBondContact OD1-CA 3.11Å; D360-I362 WeakPolarHBondContact OD1-CB 3.33Å; D360-I362 PolarHBondContact OD1-N 2.87Å; I362-L364 VanDerWaalsContact C-N 3.31Å; I362-L364 PolarHBondContact O-N 2.86Å; I362-V365 PolarHBondContact O-N 2.88Å; I362-N366 WeakPolarHBondContact O-CB 3.49Å; I362-N366 PolarHBondContact O-N 2.65Å; I362-N366 PolarHBondContact O-OD1 3Å |
| 363 | K | 88.2 | Confident | 87.9 | Confident | 106 Ų | 106 | 49.1 Ų | 49.1 | 46% | 0.461 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.5 | -39 | 173.4 | -63.7 | -178.2 | -174.5 | 177.2 | 0 | 111.9 | D360 N366 A367 V545 | D360-K363 HydrophobicContact CB-CB 4.17Å; D360-K363 HydrophobicContact CB-CD 4.04Å; D360-K363 HydrophobicContact CB-CG 4.1Å; D360-K363 WeakPolarHBondContact OD1-CG 3.48Å; D360-K363 PolarHBondContact OD1-N 3.22Å; K363-N366 PolarHBondContact O-N 2.92Å; K363-A367 WeakPolarHBondContact O-CB 3.47Å; K363-A367 PolarHBondContact O-N 2.87Å; K363-V545 HydrophobicContact CB-CG2 3.94Å; K363-V545 WeakPolarHBondContact O-CG2 3.27Å |
| 364 | L | 90 | Very high | 86.5 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 176 | -180 | 63 | 0 | 0 | 0 | 112.3 | V350 V353 A354 V359 D360 Q361 I362 L368 V545 | V350-L364 HydrophobicContact CG1-CD2 3.95Å; V350-L364 HydrophobicContact CG1-CG 4.21Å; V353-L364 HydrophobicContact CB-CD2 4.15Å; V353-L364 HydrophobicContact CG1-CD2 3.75Å; A354-L364 HydrophobicContact CB-CD2 4.04Å; V359-L364 HydrophobicContact CG2-CB 4.38Å; V359-L364 HydrophobicContact CG2-CD2 4.23Å; D360-L364 WeakPolarHBondContact O-CB 3.2Å; D360-L364 PolarHBondContact O-N 3.5Å; Q361-L364 PolarHBondContact O-N 3.06Å; I362-L364 VanDerWaalsContact C-N 3.31Å; I362-L364 PolarHBondContact O-N 2.86Å; L364-L368 HydrophobicContact CD1-CD1 4Å; L364-L368 HydrophobicContact CD1-CG 4.37Å; L364-L368 HydrophobicContact CG-CD1 4.14Å; L364-L368 WeakPolarHBondContact O-CG 3.4Å; L364-L368 PolarHBondContact O-N 2.9Å; L364-V545 HydrophobicContact CB-CG1 4.34Å; L364-V545 HydrophobicContact CD1-CG1 4.23Å |
| 365 | V | 89.8 | Confident | 84.9 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.9 | -53 | 172.5 | 170.7 | 0 | 0 | 0 | 0 | 109.8 | I344 V350 Q361 I362 A367 L368 T369 | I344-V365 HydrophobicContact CD1-CG1 4.34Å; I344-V365 HydrophobicContact CD1-CG2 4.36Å; V350-V365 HydrophobicContact CG1-CG2 3.84Å; Q361-V365 WeakPolarHBondContact O-CG2 3.47Å; Q361-V365 PolarHBondContact O-N 3.16Å; I362-V365 PolarHBondContact O-N 2.88Å; V365-A367 VanDerWaalsContact C-N 3.33Å; V365-A367 PolarHBondContact O-N 3.41Å; V365-L368 PolarHBondContact O-N 2.93Å; V365-T369 PolarHBondContact O-N 3.03Å; V365-T369 PolarHBondContact O-OG1 3.04Å |
| 366 | N | 88.1 | Confident | 83.3 | Confident | 76 Ų | 76 | 59.6 Ų | 59.6 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | -176.7 | -67.1 | -3.4 | 0 | 0 | 0 | 112.1 | I362 K363 L368 T369 T370 | I362-N366 WeakPolarHBondContact O-CB 3.49Å; I362-N366 PolarHBondContact O-N 2.65Å; I362-N366 PolarHBondContact O-OD1 3Å; K363-N366 PolarHBondContact O-N 2.92Å; N366-L368 PolarHBondContact O-N 2.78Å; N366-T369 PolarHBondContact O-N 2.68Å; N366-T370 CarbonylContact O-C 3.58Å; N366-T370 WeakPolarHBondContact O-CA 3.23Å; N366-T370 WeakPolarHBondContact O-CB 3.22Å; N366-T370 PolarHBondContact O-N 3.03Å; N366-T370 VanDerWaalsContact O-O 3.05Å; N366-T370 PolarHBondContact O-OG1 3.11Å |
| 367 | A | 87.3 | Confident | 81.9 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 3% | 0.033 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -73.2 | -7.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K363 V365 D541 L542 V545 | K363-A367 WeakPolarHBondContact O-CB 3.47Å; K363-A367 PolarHBondContact O-N 2.87Å; V365-A367 VanDerWaalsContact C-N 3.33Å; V365-A367 PolarHBondContact O-N 3.41Å; A367-D541 HydrophobicContact CB-CB 3.9Å; A367-L542 HydrophobicContact CB-CD2 3.95Å; A367-L542 HydrophobicContact CB-CG 4.32Å; A367-V545 HydrophobicContact CB-CG2 3.67Å |
| 368 | L | 88.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -105.3 | -22.2 | 175 | -71.3 | 173.4 | 0 | 0 | 0 | 113.5 | L326 I329 L364 V365 N366 S389 R393 L542 | L326-L368 HydrophobicContact CD1-CD1 4.41Å; I329-L368 HydrophobicContact CD1-CD1 3.99Å; L364-L368 HydrophobicContact CD1-CD1 4Å; L364-L368 HydrophobicContact CD1-CG 4.37Å; L364-L368 HydrophobicContact CG-CD1 4.14Å; L364-L368 WeakPolarHBondContact O-CG 3.4Å; L364-L368 PolarHBondContact O-N 2.9Å; V365-L368 PolarHBondContact O-N 2.93Å; N366-L368 PolarHBondContact O-N 2.78Å; L368-S389 WeakPolarHBondContact O-CA 3.35Å; L368-S389 VanDerWaalsContact O-CB 3.27Å; L368-S389 WeakPolarHBondContact O-CB 3.38Å; L368-S389 PolarHBondContact O-OG 3.04Å; L368-R393 HydrophobicContact CD2-CB 4.33Å; L368-L542 HydrophobicContact CD2-CD2 4.24Å |
| 369 | T | 88.8 | Confident | 79.8 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 7% | 0.074 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -117.2 | -9.1 | -178.9 | 62.5 | 0 | 0 | 0 | 0 | 114.8 | Y331 T342 I344 V365 N366 M384 | Y331-T369 HydrophobicContact CE1-CG2 4.23Å; T342-T369 HydrophobicContact CG2-CG2 4.43Å; T342-T369 WeakPolarHBondContact O-CB 3.47Å; T342-T369 WeakPolarHBondContact O-CG2 3.17Å; I344-T369 HydrophobicContact CD1-CG2 4.11Å; I344-T369 HydrophobicContact CG1-CG2 3.98Å; V365-T369 PolarHBondContact O-N 3.03Å; V365-T369 PolarHBondContact O-OG1 3.04Å; N366-T369 PolarHBondContact O-N 2.68Å; T369-M384 WeakPolarHBondContact O-CB 3.46Å; T369-M384 PolarHBondContact O-N 2.99Å |
| 370 | T | 84.8 | Confident | 79 | Confident | 30 Ų | 30 | 74.7 Ų | 74.7 | 18% | 0.184 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 157.1 | 178.4 | 74.3 | 0 | 0 | 0 | 0 | 111.1 | N366 V381 T382 M384 | N366-T370 CarbonylContact O-C 3.58Å; N366-T370 WeakPolarHBondContact O-CA 3.23Å; N366-T370 WeakPolarHBondContact O-CB 3.22Å; N366-T370 PolarHBondContact O-N 3.03Å; N366-T370 VanDerWaalsContact O-O 3.05Å; N366-T370 PolarHBondContact O-OG1 3.11Å; T370-V381 HydrophobicContact CG2-CG1 4.46Å; T370-T382 CarbonylContact C-O 3.54Å; T370-T382 WeakPolarHBondContact CA-O 3.46Å; T370-M384 VanDerWaalsContact O-SD 3.39Å |
| 371 | R | 81 | Confident | 78.5 | Confident | 114 Ų | 114 | 75.5 Ų | 75.5 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.4 | -179.3 | -175.1 | -178.7 | -168.6 | 158.1 | 8.7 | 110.4 | I373 T382 M384 | R371-I373 HydrophobicContact CG-CG1 4.49Å; R371-T382 PolarHBondContact N-O 2.89Å; R371-T382 PolarHBondContact O-N 3.23Å; R371-T382 PolarHBondContact O-OG1 2.78Å; R371-M384 HydrophobicContact CB-CG 4Å; R371-M384 HydrophobicContact CB-SD 3.92Å |
| 372 | T | 79.7 | Confident | 78.1 | Confident | 47 Ų | 47 | 74.6 Ų | 74.6 | 29% | 0.288 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 125.2 | 169.8 | -52.7 | 0 | 0 | 0 | 0 | 110.4 | D541 | T372-D541 WeakPolarHBondContact CB-OD1 3.23Å; T372-D541 PolarHBondContact N-OD2 2.92Å; T372-D541 PolarHBondContact OG1-OD1 2.79Å |
| 373 | I | 70.3 | Confident | 77.8 | Confident | 79 Ų | 79 | 71.5 Ų | 71.5 | 41% | 0.405 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 96.4 | 172.5 | -56.1 | 178.8 | 0 | 0 | 0 | 107.8 | R371 T375 V380 T382 | R371-I373 HydrophobicContact CG-CG1 4.49Å; I373-T375 PolarHBondContact O-N 2.92Å; I373-V380 PolarHBondContact N-O 3.2Å; I373-V380 PolarHBondContact O-N 3.29Å; I373-T382 HydrophobicContact CD1-CG2 4.23Å |
| 374 | T | 63.7 | Low | 77.6 | Confident | 98 Ų | 98 | 67.2 Ų | 67.2 | 60% | 0.601 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 111.3 | 168.1 | 38.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 375 | T | 59.1 | Low | 77.3 | Confident | 84 Ų | 84 | 68.6 Ų | 68.6 | 52% | 0.515 | 38% | 0.376 | S | S | . | . | trans | -83.1 | -160.7 | 164.7 | 70.9 | 0 | 0 | 0 | 0 | 109.5 | I373 E378 | I373-T375 PolarHBondContact O-N 2.92Å; T375-E378 PolarHBondContact N-O 3.18Å; T375-E378 PolarHBondContact OG1-O 3.14Å | ||
| 376 | K | 56.3 | Low | 77 | Confident | 163 Ų | 163 | 67.9 Ų | 67.9 | 71% | 0.709 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -66.2 | -39.7 | -174.4 | -86.6 | -175.7 | 172.9 | 178.2 | 0 | 113.3 | ||
| 377 | D | 63.3 | Low | 76.5 | Confident | 154 Ų | 154 | 70.9 Ų | 70.9 | 82% | 0.824 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -133.2 | -8.1 | -170.2 | -53.2 | -81.7 | 0 | 0 | 0 | 112.7 | ||
| 378 | E | 66.5 | Low | 76.2 | Confident | 142 Ų | 142 | 74.9 Ų | 74.9 | 66% | 0.664 | 40% | 0.404 | S | S | * | . | trans | -133.7 | 142 | -179.4 | -66 | -174.4 | 163.1 | 0 | 0 | 112.9 | T375 | T375-E378 PolarHBondContact N-O 3.18Å; T375-E378 PolarHBondContact OG1-O 3.14Å | ||
| 379 | S | 71 | Confident | 76.1 | Confident | 82 Ų | 82 | 74.9 Ų | 74.9 | 57% | 0.573 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 106.8 | 174.1 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 380 | V | 74.4 | Confident | 76 | Confident | 70 Ų | 70 | 77.6 Ų | 77.6 | 42% | 0.424 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127.1 | 179.2 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | I373 T382 | I373-V380 PolarHBondContact N-O 3.2Å; I373-V380 PolarHBondContact O-N 3.29Å; V380-T382 HydrophobicContact CG1-CG2 4.19Å |
| 381 | V | 79.8 | Confident | 75.6 | Confident | 91 Ų | 91 | 78.4 Ų | 78.4 | 55% | 0.552 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124.4 | 173.3 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | T370 | T370-V381 HydrophobicContact CG2-CG1 4.46Å |
| 382 | T | 81.6 | Confident | 75.7 | Confident | 52 Ų | 52 | 73.6 Ų | 73.6 | 32% | 0.319 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 136.2 | 179.5 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | T370 R371 I373 V380 | T370-T382 CarbonylContact C-O 3.54Å; T370-T382 WeakPolarHBondContact CA-O 3.46Å; R371-T382 PolarHBondContact N-O 2.89Å; R371-T382 PolarHBondContact O-N 3.23Å; R371-T382 PolarHBondContact O-OG1 2.78Å; I373-T382 HydrophobicContact CD1-CG2 4.23Å; V380-T382 HydrophobicContact CG1-CG2 4.19Å |
| 383 | S | 81.7 | Confident | 76.2 | Confident | 51 Ų | 51 | 71.8 Ų | 71.8 | 36% | 0.357 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 146 | 168.6 | -54 | 0 | 0 | 0 | 0 | 111.4 | ||
| 384 | M | 84.8 | Confident | 77 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 8% | 0.084 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -101.8 | 153 | 176.3 | -64.7 | 173.3 | 61.3 | 0 | 0 | 110.8 | A341 T342 T369 T370 R371 Q388 A392 | A341-M384 CarbonylContact C-O 3.59Å; T342-M384 WeakPolarHBondContact CB-O 3.26Å; T342-M384 PolarHBondContact N-O 3.46Å; T342-M384 PolarHBondContact OG1-O 3.25Å; T369-M384 WeakPolarHBondContact O-CB 3.46Å; T369-M384 PolarHBondContact O-N 2.99Å; T370-M384 VanDerWaalsContact O-SD 3.39Å; R371-M384 HydrophobicContact CB-CG 4Å; R371-M384 HydrophobicContact CB-SD 3.92Å; M384-Q388 HydrophobicContact CB-CB 4.09Å; M384-Q388 HydrophobicContact CE-CB 3.79Å; M384-Q388 WeakPolarHBondContact CE-O 3.45Å; M384-A392 HydrophobicContact CE-CB 3.95Å |
| 385 | T | 83.5 | Confident | 77.8 | Confident | 31 Ų | 31 | 65 Ų | 65 | 19% | 0.19 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -76 | 164.1 | 171.1 | 73.3 | 0 | 0 | 0 | 0 | 111 | E340 T342 E387 Q388 S389 | E340-T385 HydrophobicContact CB-CG2 4.14Å; T342-T385 PolarHBondContact OG1-O 3.24Å; T385-E387 PolarHBondContact O-N 3.04Å; T385-Q388 PolarHBondContact O-N 3.5Å; T385-Q388 VanDerWaalsContact OG1-CG 3.31Å; T385-Q388 WeakPolarHBondContact OG1-CG 3.29Å; T385-Q388 PolarHBondContact OG1-N 3.08Å; T385-S389 WeakPolarHBondContact O-CB 3.22Å; T385-S389 PolarHBondContact O-N 3.47Å; T385-S389 PolarHBondContact O-OG 3.31Å |
| 386 | A | 82.5 | Confident | 79.2 | Confident | 28 Ų | 28 | 61.2 Ų | 61.2 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.3 | -33.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A333 T342 S389 L390 | A333-A386 HydrophobicContact CB-CB 4.49Å; T342-A386 HydrophobicContact CG2-CB 4.34Å; T342-A386 WeakPolarHBondContact OG1-CA 3.14Å; T342-A386 PolarHBondContact OG1-N 3.41Å; A386-S389 PolarHBondContact O-N 2.97Å; A386-L390 WeakPolarHBondContact O-CG 3.19Å; A386-L390 PolarHBondContact O-N 3.07Å |
| 387 | E | 78.6 | Confident | 80.8 | Confident | 140 Ų | 140 | 53.4 Ų | 53.4 | 65% | 0.654 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66.9 | -47 | 173.8 | -172.9 | 173.8 | -117 | 0 | 0 | 111.5 | T385 S389 L390 D391 | T385-E387 PolarHBondContact O-N 3.04Å; E387-S389 VanDerWaalsContact C-N 3.25Å; E387-S389 PolarHBondContact O-N 2.95Å; E387-L390 WeakPolarHBondContact O-CB 3.38Å; E387-L390 PolarHBondContact O-N 3.03Å; E387-D391 PolarHBondContact O-N 3Å |
| 388 | Q | 80.1 | Confident | 81.9 | Confident | 87 Ų | 87 | 46.7 Ų | 46.7 | 41% | 0.407 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.9 | -33.5 | 174.7 | -68.1 | 169.9 | 3 | 0 | 0 | 112.6 | M384 T385 D391 A392 | M384-Q388 HydrophobicContact CB-CB 4.09Å; M384-Q388 HydrophobicContact CE-CB 3.79Å; M384-Q388 WeakPolarHBondContact CE-O 3.45Å; T385-Q388 PolarHBondContact O-N 3.5Å; T385-Q388 VanDerWaalsContact OG1-CG 3.31Å; T385-Q388 WeakPolarHBondContact OG1-CG 3.29Å; T385-Q388 PolarHBondContact OG1-N 3.08Å; Q388-D391 WeakPolarHBondContact O-CB 3.48Å; Q388-D391 PolarHBondContact O-N 3.15Å; Q388-A392 PolarHBondContact O-N 2.95Å |
| 389 | S | 86.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.4 | -31.5 | 178.5 | -52.2 | 0 | 0 | 0 | 0 | 112 | Y331 T342 L368 T385 A386 E387 R393 | Y331-S389 VanDerWaalsContact CE2-C 3.43Å; Y331-S389 WeakPolarHBondContact CE2-O 3.14Å; Y331-S389 PolarHBondContact OH-O 3.04Å; T342-S389 WeakPolarHBondContact CB-OG 3.07Å; T342-S389 PolarHBondContact OG1-OG 2.67Å; L368-S389 WeakPolarHBondContact O-CA 3.35Å; L368-S389 VanDerWaalsContact O-CB 3.27Å; L368-S389 WeakPolarHBondContact O-CB 3.38Å; L368-S389 PolarHBondContact O-OG 3.04Å; T385-S389 WeakPolarHBondContact O-CB 3.22Å; T385-S389 PolarHBondContact O-N 3.47Å; T385-S389 PolarHBondContact O-OG 3.31Å; A386-S389 PolarHBondContact O-N 2.97Å; E387-S389 VanDerWaalsContact C-N 3.25Å; E387-S389 PolarHBondContact O-N 2.95Å; S389-R393 WeakPolarHBondContact O-CB 3.38Å; S389-R393 PolarHBondContact O-N 2.85Å; S389-R393 VanDerWaalsContact O-N 3.14Å |
| 390 | L | 86.3 | Confident | 83.7 | Confident | 69 Ų | 69 | 37 Ų | 37 | 36% | 0.361 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.8 | -44.6 | 166.6 | -71.3 | 165.7 | 0 | 0 | 0 | 111.1 | Y331 A386 E387 A392 R393 D394 | Y331-L390 HydrophobicContact CD2-CD2 3.78Å; Y331-L390 HydrophobicContact CD2-CG 3.84Å; Y331-L390 HydrophobicContact CE2-CD2 3.89Å; Y331-L390 HydrophobicContact CE2-CG 4.05Å; A386-L390 WeakPolarHBondContact O-CG 3.19Å; A386-L390 PolarHBondContact O-N 3.07Å; E387-L390 WeakPolarHBondContact O-CB 3.38Å; E387-L390 PolarHBondContact O-N 3.03Å; L390-A392 VanDerWaalsContact C-N 3.3Å; L390-A392 PolarHBondContact O-N 2.94Å; L390-R393 WeakPolarHBondContact O-CB 3.46Å; L390-R393 PolarHBondContact O-N 3.42Å; L390-D394 WeakPolarHBondContact O-CB 3.23Å; L390-D394 PolarHBondContact O-N 2.98Å |
| 391 | D | 77.7 | Confident | 84.7 | Confident | 47 Ų | 47 | 33.7 Ų | 33.7 | 25% | 0.251 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.5 | -42.9 | 176.5 | -121.3 | 8.7 | 0 | 0 | 0 | 111.4 | E387 Q388 A395 R535 | E387-D391 PolarHBondContact O-N 3Å; Q388-D391 WeakPolarHBondContact O-CB 3.48Å; Q388-D391 PolarHBondContact O-N 3.15Å; D391-A395 WeakPolarHBondContact O-CB 3.49Å; D391-A395 PolarHBondContact O-N 2.83Å; D391-R535 IonicContact OD2-NH1 3.31Å |
| 392 | A | 82.7 | Confident | 85 | Confident | 14 Ų | 14 | 30.1 Ų | 30.1 | 12% | 0.116 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.9 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | M384 Q388 L390 D394 A395 L396 | M384-A392 HydrophobicContact CE-CB 3.95Å; Q388-A392 PolarHBondContact O-N 2.95Å; L390-A392 VanDerWaalsContact C-N 3.3Å; L390-A392 PolarHBondContact O-N 2.94Å; A392-D394 VanDerWaalsContact C-N 3.33Å; A392-D394 PolarHBondContact O-N 3.47Å; A392-A395 PolarHBondContact O-N 2.98Å; A392-L396 PolarHBondContact O-N 3.34Å |
| 393 | R | 89.4 | Confident | 85.4 | Confident | 9 Ų | 9 | 31.5 Ų | 31.5 | 3% | 0.034 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 173.6 | -176.4 | -162 | 73.5 | 161.4 | 6 | 111.1 | L326 G327 I329 Y331 L368 S389 L390 L396 A397 | L326-R393 HydrophobicContact CD1-CG 4.35Å; L326-R393 HydrophobicContact CD2-CG 4.34Å; L326-R393 WeakPolarHBondContact CD2-O 3.24Å; L326-R393 HydrophobicContact CG-CG 3.85Å; L326-R393 WeakPolarHBondContact O-CD 3.5Å; G327-R393 PolarHBondContact O-NH1 3.44Å; I329-R393 PolarHBondContact O-NH1 3.29Å; I329-R393 VanDerWaalsContact O-NH1 3.14Å; Y331-R393 HydrophobicContact CE2-CB 4.5Å; L368-R393 HydrophobicContact CD2-CB 4.33Å; S389-R393 WeakPolarHBondContact O-CB 3.38Å; S389-R393 PolarHBondContact O-N 2.85Å; S389-R393 VanDerWaalsContact O-N 3.14Å; L390-R393 WeakPolarHBondContact O-CB 3.46Å; L390-R393 PolarHBondContact O-N 3.42Å; R393-L396 WeakPolarHBondContact O-CB 3.46Å; R393-L396 PolarHBondContact O-N 2.93Å; R393-A397 PolarHBondContact O-N 3.02Å |
| 394 | D | 87.4 | Confident | 85.9 | Confident | 27 Ų | 27 | 29.1 Ų | 29.1 | 14% | 0.144 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -77.8 | -29.3 | -176.4 | -72.8 | 12.2 | 0 | 0 | 0 | 111.8 | V240 Y278 L390 A392 A397 K398 | V240-D394 HydrophobicContact CB-CB 4.11Å; V240-D394 HydrophobicContact CG1-CB 3.87Å; V240-D394 HydrophobicContact CG2-CB 4.24Å; Y278-D394 PolarHBondContact OH-OD1 2.68Å; L390-D394 WeakPolarHBondContact O-CB 3.23Å; L390-D394 PolarHBondContact O-N 2.98Å; A392-D394 VanDerWaalsContact C-N 3.33Å; A392-D394 PolarHBondContact O-N 3.47Å; D394-A397 PolarHBondContact O-N 3.25Å; D394-K398 VanDerWaalsContact O-CB 3.31Å; D394-K398 WeakPolarHBondContact O-CB 3.4Å; D394-K398 WeakPolarHBondContact O-CE 3.42Å; D394-K398 VanDerWaalsContact O-CG 3.22Å; D394-K398 WeakPolarHBondContact O-CG 3.39Å; D394-K398 PolarHBondContact O-N 3.08Å |
| 395 | A | 82.1 | Confident | 86.3 | Confident | 7 Ų | 7 | 28.7 Ų | 28.7 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D391 A392 G399 | D391-A395 WeakPolarHBondContact O-CB 3.49Å; D391-A395 PolarHBondContact O-N 2.83Å; A392-A395 PolarHBondContact O-N 2.98Å; A395-G399 PolarHBondContact O-N 2.85Å |
| 396 | L | 86.8 | Confident | 86.5 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62 | -47.8 | 173.8 | 177.4 | 61.7 | 0 | 0 | 0 | 111.1 | L326 A392 R393 G399 L400 F538 L542 I546 | L326-L396 HydrophobicContact CD1-CD2 3.83Å; L326-L396 HydrophobicContact CD2-CB 4Å; L326-L396 HydrophobicContact CD2-CD2 3.74Å; L326-L396 HydrophobicContact CD2-CG 3.8Å; L326-L396 HydrophobicContact CG-CD2 4.48Å; A392-L396 PolarHBondContact O-N 3.34Å; R393-L396 WeakPolarHBondContact O-CB 3.46Å; R393-L396 PolarHBondContact O-N 2.93Å; L396-G399 PolarHBondContact O-N 3.24Å; L396-L400 HydrophobicContact CD1-CD1 3.89Å; L396-L400 HydrophobicContact CD1-CD2 4.48Å; L396-L400 HydrophobicContact CD1-CG 3.94Å; L396-L400 HydrophobicContact CG-CD1 3.91Å; L396-L400 HydrophobicContact CG-CG 4.4Å; L396-L400 WeakPolarHBondContact O-CB 3.43Å; L396-L400 VanDerWaalsContact O-CG 3.28Å; L396-L400 WeakPolarHBondContact O-CG 3.5Å; L396-L400 PolarHBondContact O-N 3.44Å; L396-F538 HydrophobicContact CD1-CE2 4.08Å; L396-F538 HydrophobicContact CD1-CZ 3.59Å; L396-L542 HydrophobicContact CB-CD1 4.29Å; L396-L542 HydrophobicContact CD2-CD2 4.11Å; L396-I546 HydrophobicContact CD1-CD1 4.28Å |
| 397 | A | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.9 | -51 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | V239 V240 Y278 I323 L326 R393 D394 G399 L400 Y401 | V239-A397 HydrophobicContact CG1-CB 4.35Å; V240-A397 HydrophobicContact CG1-CB 3.58Å; Y278-A397 HydrophobicContact CE2-CB 3.84Å; I323-A397 HydrophobicContact CG2-CB 4.28Å; L326-A397 HydrophobicContact CD2-CB 4.12Å; R393-A397 PolarHBondContact O-N 3.02Å; D394-A397 PolarHBondContact O-N 3.25Å; A397-G399 VanDerWaalsContact C-N 3.29Å; A397-G399 PolarHBondContact O-N 3Å; A397-L400 PolarHBondContact O-N 2.84Å; A397-Y401 PolarHBondContact O-N 3.15Å; A397-Y401 VanDerWaalsContact O-N 3.09Å |
| 398 | K | 86.7 | Confident | 87.6 | Confident | 13 Ų | 13 | 22.9 Ų | 22.9 | 6% | 0.057 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.3 | -42.6 | 176.6 | -75.8 | 179.2 | -70.6 | -177.8 | 0 | 111.6 | K236 V240 D394 G402 E532 R535 | K236-K398 HydrophobicContact CB-CB 4.48Å; V240-K398 HydrophobicContact CG1-CG 4.21Å; V240-K398 HydrophobicContact CG2-CD 4.29Å; V240-K398 HydrophobicContact CG2-CG 4.2Å; D394-K398 VanDerWaalsContact O-CB 3.31Å; D394-K398 WeakPolarHBondContact O-CB 3.4Å; D394-K398 WeakPolarHBondContact O-CE 3.42Å; D394-K398 VanDerWaalsContact O-CG 3.22Å; D394-K398 WeakPolarHBondContact O-CG 3.39Å; D394-K398 PolarHBondContact O-N 3.08Å; K398-G402 PolarHBondContact O-N 3.13Å; K398-E532 PolarHBondContact NZ-O 3.19Å; K398-R535 PolarHBondContact NZ-O 3.17Å |
| 399 | G | 84.6 | Confident | 88.2 | Confident | 18 Ų | 18 | 18.8 Ų | 18.8 | 19% | 0.186 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.6 | -47.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A395 L396 A397 G402 R403 | A395-G399 PolarHBondContact O-N 2.85Å; L396-G399 PolarHBondContact O-N 3.24Å; A397-G399 VanDerWaalsContact C-N 3.29Å; A397-G399 PolarHBondContact O-N 3Å; G399-G402 PolarHBondContact O-N 3.45Å; G399-R403 WeakPolarHBondContact O-CG 3.39Å; G399-R403 PolarHBondContact O-N 3.32Å |
| 400 | L | 90.6 | Very high | 88.4 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.6 | -52.4 | 176.4 | -73.3 | 170.1 | 0 | 0 | 0 | 111 | L319 I323 L396 A397 R403 L404 L554 F558 | L319-L400 HydrophobicContact CD2-CD2 4.48Å; I323-L400 HydrophobicContact CD1-CB 3.9Å; I323-L400 HydrophobicContact CG1-CB 4.06Å; I323-L400 HydrophobicContact CG1-CD1 4.06Å; L396-L400 HydrophobicContact CD1-CD1 3.89Å; L396-L400 HydrophobicContact CD1-CD2 4.48Å; L396-L400 HydrophobicContact CD1-CG 3.94Å; L396-L400 HydrophobicContact CG-CD1 3.91Å; L396-L400 HydrophobicContact CG-CG 4.4Å; L396-L400 WeakPolarHBondContact O-CB 3.43Å; L396-L400 VanDerWaalsContact O-CG 3.28Å; L396-L400 WeakPolarHBondContact O-CG 3.5Å; L396-L400 PolarHBondContact O-N 3.44Å; A397-L400 PolarHBondContact O-N 2.84Å; L400-R403 PolarHBondContact O-N 2.97Å; L400-L404 VanDerWaalsContact O-CB 3.24Å; L400-L404 WeakPolarHBondContact O-CB 3.49Å; L400-L404 PolarHBondContact O-N 2.66Å; L400-L554 HydrophobicContact CD2-CD1 3.51Å; L400-F558 HydrophobicContact CD2-CE2 4.06Å; L400-F558 HydrophobicContact CD2-CZ 4.32Å |
| 401 | Y | 93.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.6 | -43.6 | -178.2 | -163.9 | -91.4 | 0 | 0 | 0 | 112.4 | F196 L234 V239 F249 V251 F252 L320 I323 A397 R403 L404 F405 | F196-Y401 WeakPolarHBondContact CA-OH 3.43Å; F196-Y401 HydrophobicContact CD1-CE2 4.43Å; F196-Y401 PolarHBondContact O-OH 2.85Å; L234-Y401 HydrophobicContact CD2-CD1 4.13Å; L234-Y401 HydrophobicContact CD2-CE1 4.2Å; V239-Y401 HydrophobicContact CG1-CG 4.44Å; V239-Y401 HydrophobicContact CG2-CD1 3.55Å; V239-Y401 HydrophobicContact CG2-CD2 4.18Å; V239-Y401 HydrophobicContact CG2-CE1 4.18Å; V239-Y401 HydrophobicContact CG2-CG 3.55Å; F249-Y401 WeakPolarHBondContact CB-OH 3.43Å; F249-Y401 HydrophobicContact CD2-CD1 4.47Å; F249-Y401 AromaticContact CD2-CE1 3.68Å; F249-Y401 HydrophobicContact CD2-CE1 3.68Å; F249-Y401 AromaticContact CD2-CZ 3.74Å; F249-Y401 HydrophobicContact CE2-CD1 4.39Å; F249-Y401 AromaticContact CE2-CE1 3.82Å; F249-Y401 HydrophobicContact CE2-CE1 3.82Å; F249-Y401 HydrophobicContact CG-CE1 4.07Å; F249-Y401 AromaticContact CG-CZ 3.87Å; F249-Y401 WeakPolarHBondContact CG-OH 3.49Å; F249-Y401 HydrophobicContact CZ-CE1 4.31Å; V251-Y401 HydrophobicContact CG1-CE2 4.36Å; F252-Y401 HydrophobicContact CD2-CE2 4.49Å; F252-Y401 AromaticContact CE2-CD2 3.96Å; F252-Y401 HydrophobicContact CE2-CD2 3.96Å; F252-Y401 AromaticContact CE2-CE2 3.52Å; F252-Y401 HydrophobicContact CE2-CE2 3.52Å; F252-Y401 AromaticContact CZ-CD2 3.62Å; F252-Y401 HydrophobicContact CZ-CD2 3.62Å; F252-Y401 AromaticContact CZ-CE2 3.56Å; F252-Y401 HydrophobicContact CZ-CE2 3.56Å; L320-Y401 HydrophobicContact CD2-CD2 3.83Å; L320-Y401 HydrophobicContact CD2-CE2 3.67Å; I323-Y401 HydrophobicContact CD1-CD2 4.14Å; A397-Y401 PolarHBondContact O-N 3.15Å; A397-Y401 VanDerWaalsContact O-N 3.09Å; Y401-R403 VanDerWaalsContact C-N 3.3Å; Y401-R403 PolarHBondContact O-N 3.25Å; Y401-L404 PolarHBondContact O-N 3.11Å; Y401-F405 PolarHBondContact O-N 3.05Å |
| 402 | G | 87.4 | Confident | 89.3 | Confident | 15 Ų | 15 | 22 Ų | 22 | 16% | 0.155 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.8 | -35.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K398 G399 A406 | K398-G402 PolarHBondContact O-N 3.13Å; G399-G402 PolarHBondContact O-N 3.45Å; G402-A406 PolarHBondContact O-N 3.42Å |
| 403 | R | 88.6 | Confident | 89.6 | Confident | 82 Ų | 82 | 22.7 Ų | 22.7 | 31% | 0.309 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -78.1 | -40.1 | 174.4 | -66.9 | -60.8 | 178.4 | 92.7 | -6.8 | 112.9 | G399 L400 Y401 F405 A406 C407 L557 F558 E561 | G399-R403 WeakPolarHBondContact O-CG 3.39Å; G399-R403 PolarHBondContact O-N 3.32Å; L400-R403 PolarHBondContact O-N 2.97Å; Y401-R403 VanDerWaalsContact C-N 3.3Å; Y401-R403 PolarHBondContact O-N 3.25Å; R403-F405 VanDerWaalsContact C-N 3.32Å; R403-F405 PolarHBondContact O-N 2.88Å; R403-A406 PolarHBondContact O-N 2.69Å; R403-C407 WeakPolarHBondContact O-CB 3.42Å; R403-C407 PolarHBondContact O-N 2.84Å; R403-L557 HydrophobicContact CB-CB 4.03Å; R403-L557 HydrophobicContact CB-CD2 4.15Å; R403-L557 HydrophobicContact CB-CG 4.47Å; R403-L557 PolarHBondContact NH1-O 3.45Å; R403-L557 WeakPolarHBondContact O-CD2 3.42Å; R403-F558 HydrophobicContact CG-CE1 4.39Å; R403-F558 HydrophobicContact CG-CZ 4.28Å; R403-E561 IonicContact CZ-OE1 3.42Å; R403-E561 IonicContact CZ-OE2 2.73Å; R403-E561 VanDerWaalsContact NH1-CD 3.32Å; R403-E561 IonicContact NH1-OE1 2.68Å; R403-E561 PolarHBondContact NH1-OE1 3.4Å; R403-E561 IonicContact NH1-OE2 2.8Å; R403-E561 PolarHBondContact NH1-OE2 3.41Å; R403-E561 VanDerWaalsContact NH2-CD 3.26Å; R403-E561 IonicContact NH2-OE1 3.3Å; R403-E561 PolarHBondContact NH2-OE1 3.31Å; R403-E561 IonicContact NH2-OE2 3.29Å |
| 404 | L | 93.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.5 | -47.5 | 174.8 | -178.6 | 57.9 | 0 | 0 | 0 | 111.1 | F196 I316 L319 L320 L400 Y401 C407 I408 M553 | F196-L404 HydrophobicContact CE1-CD2 4.21Å; F196-L404 HydrophobicContact CE1-CG 4.39Å; I316-L404 HydrophobicContact CB-CD1 4.36Å; I316-L404 HydrophobicContact CG1-CD1 3.98Å; I316-L404 HydrophobicContact CG2-CD1 4.25Å; L319-L404 HydrophobicContact CB-CD2 4.11Å; L319-L404 HydrophobicContact CD1-CD1 4.02Å; L320-L404 HydrophobicContact CD2-CD2 3.68Å; L320-L404 HydrophobicContact CG-CD2 4.04Å; L400-L404 VanDerWaalsContact O-CB 3.24Å; L400-L404 WeakPolarHBondContact O-CB 3.49Å; L400-L404 PolarHBondContact O-N 2.66Å; Y401-L404 PolarHBondContact O-N 3.11Å; L404-C407 PolarHBondContact O-N 3.31Å; L404-I408 HydrophobicContact CD1-CD1 4.13Å; L404-I408 HydrophobicContact CG-CD1 4.05Å; L404-I408 VanDerWaalsContact O-CG1 3.28Å; L404-I408 WeakPolarHBondContact O-CG1 3.46Å; L404-I408 PolarHBondContact O-N 3.41Å; L404-M553 HydrophobicContact CD1-CE 3.49Å; L404-M553 VanDerWaalsContact CD1-CE 3.49Å; L404-M553 HydrophobicContact CD1-SD 4.41Å |
| 405 | F | 92.9 | Very high | 89.5 | Confident | 7 Ų | 7 | 25.6 Ų | 25.6 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 176.1 | -173.4 | -116 | 0 | 0 | 0 | 112.6 | L193 F196 F210 P231 L234 Y401 R403 C407 I408 V409 | L193-F405 HydrophobicContact CD2-CE2 4.19Å; L193-F405 HydrophobicContact CD2-CZ 4.17Å; F196-F405 HydrophobicContact CB-CD2 3.64Å; F196-F405 HydrophobicContact CB-CE2 3.88Å; F210-F405 HydrophobicContact CD1-CZ 4.34Å; F210-F405 HydrophobicContact CD2-CE1 4.1Å; F210-F405 AromaticContact CD2-CZ 3.84Å; F210-F405 HydrophobicContact CD2-CZ 3.84Å; F210-F405 HydrophobicContact CE1-CZ 4.47Å; F210-F405 AromaticContact CE2-CZ 3.98Å; F210-F405 HydrophobicContact CE2-CZ 3.98Å; F210-F405 HydrophobicContact CG-CE1 4.31Å; F210-F405 HydrophobicContact CG-CZ 4.04Å; F210-F405 HydrophobicContact CZ-CZ 4.31Å; P231-F405 HydrophobicContact CB-CD1 4.49Å; P231-F405 HydrophobicContact CB-CE1 3.77Å; P231-F405 HydrophobicContact CB-CZ 4.49Å; L234-F405 HydrophobicContact CB-CD1 4.41Å; L234-F405 HydrophobicContact CB-CE1 4.47Å; L234-F405 HydrophobicContact CD1-CD1 4.21Å; L234-F405 HydrophobicContact CD1-CE1 4.11Å; L234-F405 HydrophobicContact CD1-CZ 4.47Å; L234-F405 HydrophobicContact CD2-CB 3.99Å; L234-F405 HydrophobicContact CD2-CD1 3.71Å; L234-F405 HydrophobicContact CD2-CE1 4.4Å; L234-F405 HydrophobicContact CD2-CG 3.99Å; L234-F405 HydrophobicContact CG-CD1 4.33Å; Y401-F405 PolarHBondContact O-N 3.05Å; R403-F405 VanDerWaalsContact C-N 3.32Å; R403-F405 PolarHBondContact O-N 2.88Å; F405-C407 VanDerWaalsContact C-N 3.34Å; F405-C407 PolarHBondContact O-N 3.03Å; F405-I408 PolarHBondContact O-N 3.46Å; F405-V409 HydrophobicContact CE1-CG2 4.48Å; F405-V409 HydrophobicContact CE2-CG2 4.4Å; F405-V409 HydrophobicContact CZ-CG2 4.33Å; F405-V409 WeakPolarHBondContact O-CG2 3.33Å; F405-V409 PolarHBondContact O-N 3.03Å |
| 406 | A | 88.4 | Confident | 89.6 | Confident | 38 Ų | 38 | 25.3 Ų | 25.3 | 31% | 0.314 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -58.7 | -45 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | G402 R403 I408 V409 E410 | G402-A406 PolarHBondContact O-N 3.42Å; R403-A406 PolarHBondContact O-N 2.69Å; A406-I408 PolarHBondContact O-N 3.11Å; A406-V409 PolarHBondContact O-N 3.42Å; A406-E410 WeakPolarHBondContact O-CG 3.42Å; A406-E410 PolarHBondContact O-N 2.79Å |
| 407 | C | 90.5 | Very high | 89.1 | Confident | 37 Ų | 37 | 34.1 Ų | 34.1 | 25% | 0.25 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 177.6 | -177.8 | 0 | 0 | 0 | 0 | 112.8 | R403 L404 F405 V409 E410 K411 L557 | R403-C407 WeakPolarHBondContact O-CB 3.42Å; R403-C407 PolarHBondContact O-N 2.84Å; L404-C407 PolarHBondContact O-N 3.31Å; F405-C407 VanDerWaalsContact C-N 3.34Å; F405-C407 PolarHBondContact O-N 3.03Å; C407-V409 VanDerWaalsContact C-N 3.34Å; C407-V409 PolarHBondContact O-N 3.14Å; C407-E410 PolarHBondContact O-N 3.42Å; C407-K411 WeakPolarHBondContact O-CB 3.38Å; C407-K411 PolarHBondContact O-N 3.34Å; C407-L557 HydrophobicContact CB-CD2 3.36Å |
| 408 | I | 93.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -44.7 | 173.4 | -72.7 | 165.6 | 0 | 0 | 0 | 110.5 | V192 F196 F308 I316 L404 F405 A406 K411 I412 | V192-I408 HydrophobicContact CG1-CG2 3.63Å; F196-I408 HydrophobicContact CD1-CD1 3.74Å; F196-I408 HydrophobicContact CD2-CD1 4.3Å; F196-I408 HydrophobicContact CE1-CD1 3.42Å; F196-I408 VanDerWaalsContact CE1-CD1 3.42Å; F196-I408 HydrophobicContact CE2-CD1 4.03Å; F196-I408 HydrophobicContact CG-CD1 4.17Å; F196-I408 HydrophobicContact CZ-CD1 3.59Å; F308-I408 HydrophobicContact CE1-CG1 4.28Å; F308-I408 HydrophobicContact CZ-CG2 4.07Å; I316-I408 HydrophobicContact CD1-CD1 4.45Å; I316-I408 HydrophobicContact CD1-CG1 4.21Å; I316-I408 HydrophobicContact CG2-CD1 4.2Å; L404-I408 HydrophobicContact CD1-CD1 4.13Å; L404-I408 HydrophobicContact CG-CD1 4.05Å; L404-I408 VanDerWaalsContact O-CG1 3.28Å; L404-I408 WeakPolarHBondContact O-CG1 3.46Å; L404-I408 PolarHBondContact O-N 3.41Å; F405-I408 PolarHBondContact O-N 3.46Å; A406-I408 PolarHBondContact O-N 3.11Å; I408-K411 PolarHBondContact O-N 3.33Å; I408-I412 HydrophobicContact CG2-CD1 4.11Å; I408-I412 VanDerWaalsContact O-CG1 3.31Å; I408-I412 WeakPolarHBondContact O-CG1 3.32Å; I408-I412 PolarHBondContact O-N 2.88Å |
| 409 | V | 91.6 | Very high | 85.9 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.2 | -33.2 | 178.7 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | L193 I229 P231 F405 A406 C407 I412 N413 | L193-V409 HydrophobicContact CD2-CG2 3.67Å; I229-V409 HydrophobicContact CB-CG1 4.24Å; I229-V409 HydrophobicContact CG2-CG1 4.11Å; I229-V409 WeakPolarHBondContact O-CG1 3.44Å; P231-V409 HydrophobicContact CB-CG2 4.38Å; P231-V409 HydrophobicContact CG-CB 4.12Å; P231-V409 HydrophobicContact CG-CG1 3.99Å; P231-V409 HydrophobicContact CG-CG2 4.18Å; F405-V409 HydrophobicContact CE1-CG2 4.48Å; F405-V409 HydrophobicContact CE2-CG2 4.4Å; F405-V409 HydrophobicContact CZ-CG2 4.33Å; F405-V409 WeakPolarHBondContact O-CG2 3.33Å; F405-V409 PolarHBondContact O-N 3.03Å; A406-V409 PolarHBondContact O-N 3.42Å; C407-V409 VanDerWaalsContact C-N 3.34Å; C407-V409 PolarHBondContact O-N 3.14Å; V409-I412 PolarHBondContact O-N 3.06Å; V409-N413 WeakPolarHBondContact O-CB 3.42Å; V409-N413 VanDerWaalsContact O-CG 3.27Å; V409-N413 PolarHBondContact O-N 3.37Å; V409-N413 PolarHBondContact O-ND2 3.35Å |
| 410 | E | 90.2 | Very high | 84 | Confident | 140 Ų | 140 | 49.2 Ų | 49.2 | 65% | 0.654 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | 170.7 | -74.9 | -175.7 | 166.8 | 0 | 0 | 112.6 | A406 C407 N413 S414 | A406-E410 WeakPolarHBondContact O-CG 3.42Å; A406-E410 PolarHBondContact O-N 2.79Å; C407-E410 PolarHBondContact O-N 3.42Å; E410-N413 WeakPolarHBondContact O-CB 3.44Å; E410-N413 PolarHBondContact O-N 3.14Å; E410-S414 PolarHBondContact O-N 3.21Å |
| 411 | K | 90.8 | Very high | 81.9 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 19% | 0.191 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 173.1 | 178.8 | 72.5 | 179.4 | -153.4 | 0 | 111.3 | Y307 F308 E312 C407 I408 N413 S414 T415 | Y307-K411 WeakPolarHBondContact O-CE 3.47Å; Y307-K411 PolarHBondContact O-NZ 2.7Å; F308-K411 HydrophobicContact CD1-CG 3.95Å; F308-K411 HydrophobicContact CD2-CG 4Å; F308-K411 HydrophobicContact CE1-CB 3.98Å; F308-K411 HydrophobicContact CE1-CG 3.58Å; F308-K411 HydrophobicContact CE2-CB 4.31Å; F308-K411 HydrophobicContact CE2-CG 3.63Å; F308-K411 HydrophobicContact CG-CG 4.16Å; F308-K411 HydrophobicContact CZ-CB 3.71Å; F308-K411 HydrophobicContact CZ-CG 3.41Å; F308-K411 VanDerWaalsContact CZ-CG 3.41Å; E312-K411 IonicContact OE1-NZ 3.62Å; E312-K411 PolarHBondContact OE1-NZ 3Å; E312-K411 IonicContact OE2-NZ 2.74Å; E312-K411 PolarHBondContact OE2-NZ 3.2Å; C407-K411 WeakPolarHBondContact O-CB 3.38Å; C407-K411 PolarHBondContact O-N 3.34Å; I408-K411 PolarHBondContact O-N 3.33Å; K411-N413 VanDerWaalsContact C-N 3.34Å; K411-N413 PolarHBondContact O-N 3.45Å; K411-S414 WeakPolarHBondContact O-CB 3.37Å; K411-S414 PolarHBondContact O-N 3.4Å; K411-S414 VanDerWaalsContact O-N 3.09Å; K411-S414 PolarHBondContact O-OG 2.73Å; K411-T415 PolarHBondContact O-N 2.88Å |
| 412 | I | 91.8 | Very high | 79.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 173.4 | -66.3 | 168.8 | 0 | 0 | 0 | 110.9 | A189 V192 I229 L306 F308 I408 V409 S414 T415 L416 | A189-I412 HydrophobicContact CB-CG2 3.91Å; V192-I412 HydrophobicContact CB-CD1 4.34Å; V192-I412 HydrophobicContact CG1-CD1 4.17Å; I229-I412 HydrophobicContact CD1-CG2 4.14Å; L306-I412 HydrophobicContact CD1-CD1 4.45Å; L306-I412 HydrophobicContact CD1-CG1 4.21Å; F308-I412 HydrophobicContact CE2-CG1 4.08Å; F308-I412 HydrophobicContact CZ-CG1 4.25Å; I408-I412 HydrophobicContact CG2-CD1 4.11Å; I408-I412 VanDerWaalsContact O-CG1 3.31Å; I408-I412 WeakPolarHBondContact O-CG1 3.32Å; I408-I412 PolarHBondContact O-N 2.88Å; V409-I412 PolarHBondContact O-N 3.06Å; I412-S414 PolarHBondContact O-N 3.42Å; I412-T415 PolarHBondContact O-N 3.23Å; I412-T415 PolarHBondContact O-OG1 2.92Å; I412-L416 HydrophobicContact CG2-CD1 3.87Å; I412-L416 HydrophobicContact CG2-CG 4.37Å; I412-L416 WeakPolarHBondContact O-CG 3.2Å; I412-L416 PolarHBondContact O-N 2.95Å; I412-L416 VanDerWaalsContact O-N 3.17Å |
| 413 | N | 90.5 | Very high | 77.4 | Confident | 28 Ų | 28 | 65.8 Ų | 65.8 | 15% | 0.15 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.3 | -28 | 175.4 | -76.8 | -41.2 | 0 | 0 | 0 | 113.7 | R228 I229 V409 E410 K411 | R228-N413 WeakPolarHBondContact CA-OD1 3.42Å; I229-N413 PolarHBondContact N-OD1 3.29Å; I229-N413 PolarHBondContact O-ND2 2.75Å; I229-N413 PolarHBondContact O-OD1 2.85Å; V409-N413 WeakPolarHBondContact O-CB 3.42Å; V409-N413 VanDerWaalsContact O-CG 3.27Å; V409-N413 PolarHBondContact O-N 3.37Å; V409-N413 PolarHBondContact O-ND2 3.35Å; E410-N413 WeakPolarHBondContact O-CB 3.44Å; E410-N413 PolarHBondContact O-N 3.14Å; K411-N413 VanDerWaalsContact C-N 3.34Å; K411-N413 PolarHBondContact O-N 3.45Å |
| 414 | S | 88.4 | Confident | 75.6 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.4 | -32.5 | 176.7 | 80.5 | 0 | 0 | 0 | 0 | 112.7 | E410 K411 I412 | E410-S414 PolarHBondContact O-N 3.21Å; K411-S414 WeakPolarHBondContact O-CB 3.37Å; K411-S414 PolarHBondContact O-N 3.4Å; K411-S414 VanDerWaalsContact O-N 3.09Å; K411-S414 PolarHBondContact O-OG 2.73Å; I412-S414 PolarHBondContact O-N 3.42Å |
| 415 | T | 86.4 | Confident | 73.7 | Confident | 24 Ų | 24 | 71.4 Ų | 71.4 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -84.7 | -29.9 | 179.4 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | L306 Y307 K411 I412 R417 | L306-T415 VanDerWaalsContact O-CG2 3.32Å; L306-T415 WeakPolarHBondContact O-CG2 3.2Å; Y307-T415 HydrophobicContact CD2-CG2 3.69Å; Y307-T415 HydrophobicContact CG-CG2 4.33Å; K411-T415 PolarHBondContact O-N 2.88Å; I412-T415 PolarHBondContact O-N 3.23Å; I412-T415 PolarHBondContact O-OG1 2.92Å; T415-R417 PolarHBondContact O-N 3.45Å |
| 416 | L | 84.4 | Confident | 72.2 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -74.2 | 0.7 | 174.9 | -64.9 | 177.8 | 0 | 0 | 0 | 114.4 | I182 Q185 I186 S226 A227 I229 I412 | I182-L416 HydrophobicContact CD1-CB 4.05Å; I182-L416 HydrophobicContact CD1-CD2 3.67Å; I182-L416 VanDerWaalsContact CD1-O 3.27Å; I182-L416 WeakPolarHBondContact CD1-O 3.32Å; I182-L416 HydrophobicContact CG1-CD2 4.42Å; Q185-L416 HydrophobicContact CB-CD2 3.63Å; I186-L416 HydrophobicContact CG1-CD1 4.27Å; I186-L416 HydrophobicContact CG1-CD2 3.69Å; S226-L416 VanDerWaalsContact CA-O 3.28Å; S226-L416 WeakPolarHBondContact CA-O 3.44Å; S226-L416 WeakPolarHBondContact CB-O 3.39Å; A227-L416 HydrophobicContact CB-CB 4.48Å; A227-L416 HydrophobicContact CB-CD1 4.36Å; A227-L416 PolarHBondContact N-O 2.72Å; A227-L416 VanDerWaalsContact O-CB 3.25Å; A227-L416 WeakPolarHBondContact O-CB 3.37Å; I229-L416 HydrophobicContact CD1-CD1 4.08Å; I229-L416 HydrophobicContact CG1-CD1 4.16Å; I412-L416 HydrophobicContact CG2-CD1 3.87Å; I412-L416 HydrophobicContact CG2-CG 4.37Å; I412-L416 WeakPolarHBondContact O-CG 3.2Å; I412-L416 PolarHBondContact O-N 2.95Å; I412-L416 VanDerWaalsContact O-N 3.17Å |
| 417 | R | 75.3 | Confident | 71.8 | Confident | 190 Ų | 190 | 71.5 Ų | 71.5 | 72% | 0.717 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -114 | 120.7 | -176.1 | -164.8 | 177.4 | -170.6 | -167.8 | 1.7 | 112.3 | T415 | T415-R417 PolarHBondContact O-N 3.45Š|
| 418 | R | 62.1 | Low | 71.6 | Confident | 149 Ų | 149 | 70.1 Ų | 70.1 | 56% | 0.562 | 39% | 0.387 | S | S | * | . | trans | -76.6 | 136.7 | 171.8 | -86.6 | -176.9 | 161.7 | 148.1 | -1 | 112.1 | T420 | R418-T420 VanDerWaalsContact C-N 3.34Å; R418-T420 PolarHBondContact O-N 3.09Å | ||
| 419 | S | 48.6 | Very low | 71.4 | Confident | 126 Ų | 126 | 70 Ų | 70 | 88% | 0.881 | 39% | 0.386 | S | S | * | . | trans | -81.6 | 72 | -178.4 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 420 | T | 45.2 | Very low | 71.1 | Confident | 73 Ų | 73 | 69.9 Ų | 69.9 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | trans | -142.6 | 121 | 173.8 | 34.7 | 0 | 0 | 0 | 0 | 111.4 | R418 E422 A423 | R418-T420 VanDerWaalsContact C-N 3.34Å; R418-T420 PolarHBondContact O-N 3.09Å; T420-E422 PolarHBondContact O-N 3.2Å; T420-A423 PolarHBondContact O-N 3.09Å | ||
| 421 | D | 45.4 | Very low | 70.7 | Confident | 182 Ų | 182 | 63.7 Ų | 63.7 | 97% | 0.973 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 5.5 | -176.2 | -61.3 | -51.4 | 0 | 0 | 0 | 115.4 | ||
| 422 | E | 45.5 | Very low | 70 | Confident | 130 Ų | 130 | 61.6 Ų | 61.6 | 61% | 0.607 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -5.8 | 175.5 | -70.9 | -109.6 | 117 | 0 | 0 | 113.5 | T420 G424 K425 | T420-E422 PolarHBondContact O-N 3.2Å; E422-G424 VanDerWaalsContact C-N 3.31Å; E422-G424 PolarHBondContact O-N 3.25Å; E422-K425 IonicContact OE1-NZ 2.74Å; E422-K425 PolarHBondContact OE1-NZ 3.41Å; E422-K425 IonicContact OE2-NZ 2.7Å; E422-K425 PolarHBondContact OE2-NZ 3.38Å |
| 423 | A | 42.4 | Very low | 68.7 | Low | 54 Ų | 54 | 63.9 Ų | 63.9 | 45% | 0.446 | 36% | 0.36 | S | S | . | . | trans | -67.6 | 77.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T420 | T420-A423 PolarHBondContact O-N 3.09Š| ||
| 424 | G | 49.7 | Very low | 67.1 | Low | 69 Ų | 69 | 64.1 Ų | 64.1 | 71% | 0.711 | 36% | 0.361 | S | S | * | . | trans | -177.8 | 22.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | E422 | E422-G424 VanDerWaalsContact C-N 3.31Å; E422-G424 PolarHBondContact O-N 3.25Å | ||
| 425 | K | 54.1 | Low | 65 | Low | 132 Ų | 132 | 67.1 Ų | 67.1 | 57% | 0.574 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -115.8 | -14.5 | -177.2 | -63.4 | 176.3 | -166.3 | 165.6 | 0 | 115 | E422 | E422-K425 IonicContact OE1-NZ 2.74Å; E422-K425 PolarHBondContact OE1-NZ 3.41Å; E422-K425 IonicContact OE2-NZ 2.7Å; E422-K425 PolarHBondContact OE2-NZ 3.38Å |
| 426 | G | 61.9 | Low | 62.6 | Low | 37 Ų | 37 | 67.3 Ų | 67.3 | 38% | 0.381 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -104.8 | 167.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F218 | F218-G426 WeakPolarHBondContact O-CA 3.48Š|
| 427 | G | 79.3 | Confident | 60.5 | Low | 9 Ų | 9 | 72.6 Ų | 72.6 | 9% | 0.093 | 39% | 0.392 | C | S | . | . | trans | -90.6 | 170.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N144 F218 | N144-G427 WeakPolarHBondContact OD1-CA 3.47Å; F218-G427 PolarHBondContact N-O 2.58Å; F218-G427 VanDerWaalsContact N-O 3.1Å | ||
| 428 | S | 87.7 | Confident | 58.7 | Low | 8 Ų | 8 | 66.4 Ų | 66.4 | 6% | 0.056 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 152.3 | 179 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | N144 C145 D215 I216 R595 | N144-S428 CarbonylContact C-O 3.59Å; N144-S428 VanDerWaalsContact CA-O 3.3Å; N144-S428 WeakPolarHBondContact CA-O 3.42Å; N144-S428 PolarHBondContact OD1-N 3.32Å; C145-S428 PolarHBondContact N-O 3.1Å; D215-S428 VanDerWaalsContact CG-OG 3.31Å; D215-S428 WeakPolarHBondContact OD1-CB 3.18Å; D215-S428 PolarHBondContact OD1-OG 3.41Å; D215-S428 WeakPolarHBondContact OD2-CB 3.31Å; D215-S428 PolarHBondContact OD2-OG 3.05Å; I216-S428 CarbonylContact O-C 3.51Å; I216-S428 WeakPolarHBondContact O-CA 3.19Å; I216-S428 WeakPolarHBondContact O-CB 3.35Å; S428-R595 PolarHBondContact OG-NH1 3.46Å; S428-R595 VanDerWaalsContact OG-NH1 3.12Å |
| 429 | I | 88.3 | Confident | 58 | Low | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 111.3 | 171.6 | -54.4 | 173.9 | 0 | 0 | 0 | 107.8 | A134 R135 V138 C145 I147 L168 D215 I216 F218 | A134-I429 HydrophobicContact CB-CD1 4.15Å; A134-I429 HydrophobicContact CB-CG2 4.24Å; R135-I429 HydrophobicContact CB-CD1 4.19Å; V138-I429 HydrophobicContact CG2-CD1 4.44Å; V138-I429 HydrophobicContact CG2-CG1 3.64Å; C145-I429 HydrophobicContact CB-CG1 4.4Å; C145-I429 HydrophobicContact CB-CG2 4.45Å; I147-I429 HydrophobicContact CD1-CG2 3.91Å; I147-I429 HydrophobicContact CG1-CG2 4.08Å; L168-I429 HydrophobicContact CD1-CD1 4.08Å; L168-I429 HydrophobicContact CD2-CD1 3.69Å; D215-I429 VanDerWaalsContact OD1-C 3.22Å; I216-I429 PolarHBondContact N-O 3.46Å; I216-I429 PolarHBondContact O-N 3.35Å; F218-I429 HydrophobicContact CD2-CD1 4.45Å; F218-I429 HydrophobicContact CD2-CG1 4.27Å; F218-I429 HydrophobicContact CE2-CB 3.99Å; F218-I429 HydrophobicContact CE2-CD1 3.54Å; F218-I429 HydrophobicContact CE2-CG1 3.56Å; F218-I429 HydrophobicContact CZ-CD1 3.69Å; F218-I429 HydrophobicContact CZ-CG1 4.24Å |
| 430 | G | 84.7 | Confident | 58.1 | Low | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 134.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | C145 C146 I147 T214 D215 | C145-G430 PolarHBondContact O-N 3.22Å; C146-G430 CarbonylContact C-O 3.57Å; C146-G430 VanDerWaalsContact CA-O 3.24Å; C146-G430 WeakPolarHBondContact CA-O 3.43Å; I147-G430 PolarHBondContact N-O 3.47Å; T214-G430 CarbonylContact O-C 3.33Å; D215-G430 PolarHBondContact OD1-N 3.04Å; D215-G430 VanDerWaalsContact OD1-N 3.13Å |
| 431 | I | 82.9 | Confident | 58.3 | Low | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.046 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.2 | 161.3 | -55.1 | 175.7 | 0 | 0 | 0 | 106.5 | I149 A161 V164 L165 Y213 T214 I216 | I149-I431 HydrophobicContact CD1-CG2 3.94Å; A161-I431 HydrophobicContact CB-CG2 4.04Å; V164-I431 HydrophobicContact CB-CD1 4.14Å; V164-I431 HydrophobicContact CG1-CD1 3.55Å; V164-I431 HydrophobicContact CG1-CG1 4.15Å; L165-I431 HydrophobicContact CD2-CD1 4.1Å; L165-I431 HydrophobicContact CG-CD1 3.86Å; Y213-I431 WeakPolarHBondContact CA-O 3.34Å; Y213-I431 WeakPolarHBondContact CD2-O 3.21Å; T214-I431 PolarHBondContact N-O 2.94Å; T214-I431 PolarHBondContact O-N 2.99Å; I216-I431 HydrophobicContact CD1-CD1 3.71Å; I216-I431 HydrophobicContact CD1-CG1 4.18Å |
| 432 | L | 75 | Confident | 58.6 | Low | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 130.4 | -176 | -174.5 | 58.6 | 0 | 0 | 0 | 111.1 | I147 T148 I149 Y213 I434 L588 L592 | I147-L432 PolarHBondContact O-N 3.36Å; T148-L432 CarbonylContact C-O 3.59Å; T148-L432 WeakPolarHBondContact CA-O 3.39Å; I149-L432 PolarHBondContact N-O 3.37Å; Y213-L432 HydrophobicContact CD2-CB 3.72Å; Y213-L432 HydrophobicContact CD2-CD1 3.73Å; Y213-L432 HydrophobicContact CD2-CD2 4.47Å; Y213-L432 HydrophobicContact CD2-CG 4.16Å; Y213-L432 HydrophobicContact CE2-CB 4.04Å; Y213-L432 HydrophobicContact CG-CD1 4.2Å; L432-I434 HydrophobicContact CD1-CG2 3.98Å; L432-I434 HydrophobicContact CD2-CD1 3.6Å; L432-I434 HydrophobicContact CD2-CG1 3.58Å; L432-I434 HydrophobicContact CD2-CG2 4.29Å; L432-I434 HydrophobicContact CG-CB 4.36Å; L432-I434 HydrophobicContact CG-CD1 4.35Å; L432-I434 HydrophobicContact CG-CG1 3.83Å; L432-I434 HydrophobicContact CG-CG2 3.97Å; L432-L588 HydrophobicContact CD1-CD1 4.04Å; L432-L588 HydrophobicContact CD1-CD2 4.21Å; L432-L588 HydrophobicContact CD2-CD1 3.89Å; L432-L588 HydrophobicContact CD2-CD2 4.2Å; L432-L588 HydrophobicContact CD2-CG 4.21Å; L432-L592 HydrophobicContact CD2-CD1 3.61Å; L432-L592 HydrophobicContact CD2-CD2 3.76Å; L432-L592 HydrophobicContact CD2-CG 4.13Å |
| 433 | D | 64.3 | Low | 59.1 | Low | 48 Ų | 48 | 52.3 Ų | 52.3 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 84.3 | 172.6 | -167.5 | -18 | 0 | 0 | 0 | 110.6 | I149 K157 R212 | I149-D433 CarbonylContact O-C 3.46Å; I149-D433 WeakPolarHBondContact O-CA 3.39Å; K157-D433 VanDerWaalsContact CB-OD2 3.24Å; K157-D433 WeakPolarHBondContact CB-OD2 3.45Å; K157-D433 WeakPolarHBondContact CD-OD1 3.47Å; K157-D433 WeakPolarHBondContact CE-OD1 3.42Å; K157-D433 WeakPolarHBondContact CE-OD2 3.4Å; R212-D433 PolarHBondContact O-N 3.24Å |
| 434 | I | 57.5 | Low | 60.1 | Low | 33 Ų | 33 | 56.5 Ų | 56.5 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | trans | -150.4 | 166.4 | 173.4 | 74.5 | 166.3 | 0 | 0 | 0 | 112.7 | T148 I149 S150 L432 L588 M589 L592 | T148-I434 HydrophobicContact CG2-CG1 3.99Å; T148-I434 WeakPolarHBondContact CG2-O 3.3Å; I149-I434 PolarHBondContact O-N 3.03Å; I149-I434 VanDerWaalsContact O-O 3.1Å; S150-I434 WeakPolarHBondContact CB-O 3.44Å; L432-I434 HydrophobicContact CD1-CG2 3.98Å; L432-I434 HydrophobicContact CD2-CD1 3.6Å; L432-I434 HydrophobicContact CD2-CG1 3.58Å; L432-I434 HydrophobicContact CD2-CG2 4.29Å; L432-I434 HydrophobicContact CG-CB 4.36Å; L432-I434 HydrophobicContact CG-CD1 4.35Å; L432-I434 HydrophobicContact CG-CG1 3.83Å; L432-I434 HydrophobicContact CG-CG2 3.97Å; I434-L588 HydrophobicContact CD1-CD2 4.26Å; I434-L588 HydrophobicContact CG2-CD2 4.32Å; I434-M589 HydrophobicContact CD1-CE 3.63Å; I434-L592 HydrophobicContact CD1-CD1 4Å | ||
| 435 | Y | 43.6 | Very low | 61.1 | Low | 135 Ų | 135 | 53.7 Ų | 53.7 | 53% | 0.529 | 27% | 0.274 | S | S | . | . | trans | -86.2 | 155.6 | 169.9 | -39.5 | -91.1 | 0 | 0 | 0 | 111.4 | G151 L626 | G151-Y435 PolarHBondContact O-OH 3.04Å; Y435-L626 HydrophobicContact CD1-CD2 4.15Å; Y435-L626 HydrophobicContact CE1-CD2 4.37Å | ||
| 436 | G | 36.3 | Very low | 61.8 | Low | 27 Ų | 27 | 54.9 Ų | 54.9 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | trans | -174.5 | 177.7 | -174 | 0 | 0 | 0 | 0 | 0 | 115.4 | R601 | G436-R601 PolarHBondContact O-NH2 3.25Š| ||
| 437 | F | 41.6 | Very low | 61.9 | Low | 112 Ų | 112 | 54 Ų | 54 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | trans | -136.2 | 161 | -165.1 | -98.6 | -98.8 | 0 | 0 | 0 | 115.5 | N457 | F437-N457 WeakPolarHBondContact CE2-ND2 3.06Š| ||
| 438 | E | 37.6 | Very low | 61 | Low | 61 Ų | 61 | 60.1 Ų | 60.1 | 29% | 0.285 | 30% | 0.296 | S | S | . | . | trans | -152.9 | 114.8 | 166.6 | -79 | -165.6 | 102.5 | 0 | 0 | 110.6 | F599 R635 R642 | E438-F599 HydrophobicContact CG-CE2 4.01Å; E438-F599 HydrophobicContact CG-CZ 4.24Å; E438-R635 IonicContact OE2-NH2 3.51Å; E438-R635 PolarHBondContact OE2-NH2 3.14Å; E438-R642 IonicContact OE1-CZ 3.77Å; E438-R642 IonicContact OE1-NH1 3.83Å; E438-R642 IonicContact OE1-NH2 3.71Å; E438-R642 PolarHBondContact OE1-NH2 2.87Å; E438-R642 IonicContact OE2-NH2 2.76Å | ||
| 439 | Q | 45.9 | Very low | 59.7 | Low | 60 Ų | 60 | 62.2 Ų | 62.2 | 28% | 0.28 | 30% | 0.303 | S | S | . | . | trans | -151.1 | -37.6 | 166.6 | -80.6 | -150.9 | 56.8 | 0 | 0 | 117.8 | E441 F454 I634 | Q439-E441 PolarHBondContact O-N 3.46Å; Q439-F454 VanDerWaalsContact OE1-CD1 3.31Å; Q439-F454 VanDerWaalsContact OE1-CE1 3.24Å; Q439-I634 HydrophobicContact CG-CD1 4.34Å; Q439-I634 VanDerWaalsContact NE2-CD1 3.33Å | ||
| 440 | E | 50.6 | Low | 58.3 | Low | 148 Ų | 148 | 68.9 Ų | 68.9 | 69% | 0.692 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -22.4 | -164.5 | -60.4 | -170.3 | 153.1 | 0 | 0 | 117.6 | Y442 R444 | E440-Y442 PolarHBondContact O-N 3.26Å; E440-R444 IonicContact OE2-CZ 3.6Å; E440-R444 IonicContact OE2-NH2 3.2Å; E440-R444 PolarHBondContact OE2-NH2 2.89Å |
| 441 | E | 50 | Low | 56.7 | Low | 34 Ų | 34 | 74.1 Ų | 74.1 | 16% | 0.159 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -76.1 | -22.4 | -159.5 | -163.7 | 163.2 | -124.8 | 0 | 0 | 114.5 | Q439 R444 R642 R693 | Q439-E441 PolarHBondContact O-N 3.46Å; E441-R444 PolarHBondContact O-N 3.23Å; E441-R642 WeakPolarHBondContact OE2-CD 3.26Å; E441-R642 IonicContact OE2-CZ 3.88Å; E441-R642 IonicContact OE2-NE 3.8Å; E441-R642 IonicContact OE2-NH1 2.65Å; E441-R642 PolarHBondContact OE2-NH1 3.13Å; E441-R693 IonicContact OE1-CZ 3.97Å; E441-R693 IonicContact OE1-NH1 3.69Å; E441-R693 PolarHBondContact OE1-NH1 3.11Å; E441-R693 IonicContact OE1-NH2 3.41Å; E441-R693 PolarHBondContact OE1-NH2 2.96Å; E441-R693 IonicContact OE2-CZ 2.87Å; E441-R693 IonicContact OE2-NH1 3.62Å; E441-R693 PolarHBondContact OE2-NH1 3.43Å |
| 442 | Y | 52.9 | Low | 55.4 | Low | 29 Ų | 29 | 75.5 Ų | 75.5 | 11% | 0.114 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.6 | -43.7 | 179.4 | -65.5 | -21.4 | 0 | 0 | 0 | 112.7 | E440 R444 E445 I447 W449 I634 Y639 F695 | E440-Y442 PolarHBondContact O-N 3.26Å; Y442-R444 PolarHBondContact O-N 2.88Å; Y442-E445 PolarHBondContact O-N 3.19Å; Y442-I447 HydrophobicContact CD1-CD1 3.51Å; Y442-I447 HydrophobicContact CE1-CD1 4.33Å; Y442-I447 HydrophobicContact CG-CD1 3.93Å; Y442-W449 HydrophobicContact CD2-CD2 4.48Å; Y442-W449 HydrophobicContact CD2-CZ2 4.37Å; Y442-I634 HydrophobicContact CE2-CG2 4.47Å; Y442-Y639 PolarHBondContact OH-N 2.92Å; Y442-Y639 PolarHBondContact OH-O 3.31Å; Y442-F695 HydrophobicContact CD1-CD1 4.37Å; Y442-F695 AromaticContact CD1-CE1 3.93Å; Y442-F695 HydrophobicContact CD1-CE1 3.93Å; Y442-F695 HydrophobicContact CE1-CD1 4.18Å; Y442-F695 HydrophobicContact CE1-CE1 4.01Å |
| 443 | A | 55.6 | Low | 54.2 | Low | 92 Ų | 92 | 83.2 Ų | 83.2 | 76% | 0.76 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.5 | -32.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E445 | A443-E445 VanDerWaalsContact C-N 3.33Å; A443-E445 PolarHBondContact O-N 3.15Å |
| 444 | R | 63.2 | Low | 53.9 | Low | 143 Ų | 143 | 84.6 Ų | 84.6 | 54% | 0.54 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.8 | -30.1 | -179.6 | -165.4 | 177 | -66.4 | 143.7 | 2.1 | 113.1 | E440 E441 Y442 | E440-R444 IonicContact OE2-CZ 3.6Å; E440-R444 IonicContact OE2-NH2 3.2Å; E440-R444 PolarHBondContact OE2-NH2 2.89Å; E441-R444 PolarHBondContact O-N 3.23Å; Y442-R444 PolarHBondContact O-N 2.88Å |
| 445 | E | 69.6 | Low | 54 | Low | 10 Ų | 10 | 86.6 Ų | 86.6 | 5% | 0.047 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -99.1 | -5.6 | -171.2 | -77 | -79.3 | 163.5 | 0 | 0 | 114.4 | Y442 A443 I447 G690 R691 T692 R693 F695 | Y442-E445 PolarHBondContact O-N 3.19Å; A443-E445 VanDerWaalsContact C-N 3.33Å; A443-E445 PolarHBondContact O-N 3.15Å; E445-I447 HydrophobicContact CB-CG1 4.19Å; E445-G690 CarbonylContact O-C 3.56Å; E445-G690 WeakPolarHBondContact O-CA 3.28Å; E445-R691 PolarHBondContact O-N 2.94Å; E445-R691 PolarHBondContact OE2-N 3.43Å; E445-T692 PolarHBondContact OE1-OG1 2.83Å; E445-T692 PolarHBondContact OE2-N 2.92Å; E445-R693 IonicContact OE1-NE 2.9Å; E445-R693 PolarHBondContact OE2-N 3.18Å; E445-F695 HydrophobicContact CB-CE2 3.8Å; E445-F695 HydrophobicContact CB-CZ 3.95Å; E445-F695 HydrophobicContact CG-CE2 4Å; E445-F695 HydrophobicContact CG-CZ 3.9Å |
| 446 | K | 69.4 | Low | 54.8 | Low | 156 Ų | 156 | 83.4 Ų | 83.4 | 68% | 0.678 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 50.3 | -177.6 | -66.2 | -161.7 | 168.4 | -153.4 | 0 | 114.1 | ||
| 447 | I | 63.1 | Low | 56.4 | Low | 20 Ų | 20 | 84 Ų | 84 | 10% | 0.103 | 43% | 0.427 | C | S | . | . | trans | -74.9 | 139 | 170.8 | -50.8 | 174.1 | 0 | 0 | 0 | 108.7 | Y442 E445 W449 Y639 Q688 F695 | Y442-I447 HydrophobicContact CD1-CD1 3.51Å; Y442-I447 HydrophobicContact CE1-CD1 4.33Å; Y442-I447 HydrophobicContact CG-CD1 3.93Å; E445-I447 HydrophobicContact CB-CG1 4.19Å; I447-W449 HydrophobicContact CG2-CB 4.23Å; I447-W449 PolarHBondContact O-N 2.98Å; I447-Y639 HydrophobicContact CG2-CD2 3.96Å; I447-Y639 HydrophobicContact CG2-CE2 4.01Å; I447-Q688 HydrophobicContact CG2-CB 4.43Å; I447-F695 HydrophobicContact CD1-CD1 3.57Å; I447-F695 HydrophobicContact CD1-CD2 3.71Å; I447-F695 HydrophobicContact CD1-CE1 3.5Å; I447-F695 VanDerWaalsContact CD1-CE1 3.5Å; I447-F695 HydrophobicContact CD1-CE2 3.65Å; I447-F695 HydrophobicContact CD1-CG 3.68Å; I447-F695 HydrophobicContact CD1-CZ 3.55Å; I447-F695 HydrophobicContact CG1-CD2 3.97Å; I447-F695 HydrophobicContact CG1-CE2 3.96Å; I447-F695 HydrophobicContact CG1-CG 4.33Å; I447-F695 HydrophobicContact CG1-CZ 4.31Å | ||
| 448 | D | 62.1 | Low | 57.8 | Low | 136 Ų | 136 | 84.1 Ų | 84.1 | 73% | 0.727 | 43% | 0.425 | S | S | * | . | trans | -82.3 | 90.4 | 174.7 | -170.2 | 25.8 | 0 | 0 | 0 | 109.2 | Q688 | D448-Q688 PolarHBondContact O-NE2 3.13Å; D448-Q688 PolarHBondContact O-OE1 3.05Å | ||
| 449 | W | 59.7 | Low | 59.7 | Low | 52 Ų | 52 | 83.4 Ų | 83.4 | 20% | 0.197 | 43% | 0.426 | C | S | . | . | trans | -141.5 | 140.7 | -173.1 | 128.1 | -69.6 | 0 | 0 | 0 | 109.7 | Y442 I447 P451 I452 I634 | Y442-W449 HydrophobicContact CD2-CD2 4.48Å; Y442-W449 HydrophobicContact CD2-CZ2 4.37Å; I447-W449 HydrophobicContact CG2-CB 4.23Å; I447-W449 PolarHBondContact O-N 2.98Å; W449-P451 WeakPolarHBondContact O-CD 3.24Å; W449-I452 HydrophobicContact CH2-CB 4.35Å; W449-I452 HydrophobicContact CH2-CD1 3.64Å; W449-I452 HydrophobicContact CH2-CG1 4.15Å; W449-I452 HydrophobicContact CZ2-CB 4.42Å; W449-I452 HydrophobicContact CZ2-CD1 4.45Å; W449-I452 HydrophobicContact CZ3-CD1 3.96Å; W449-I634 HydrophobicContact CH2-CB 4.34Å; W449-I634 HydrophobicContact CH2-CG1 4.35Å; W449-I634 HydrophobicContact CH2-CG2 3.98Å | ||
| 450 | N | 58.8 | Low | 61.4 | Low | 141 Ų | 141 | 80.9 Ų | 80.9 | 75% | 0.754 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 121.5 | 173.2 | -70.1 | -17.1 | 0 | 0 | 0 | 109.2 | I452 | N450-I452 PolarHBondContact O-N 2.67Š|
| 451 | P | 51.2 | Low | 62.6 | Low | 110 Ų | 110 | 77.7 Ų | 77.7 | 71% | 0.714 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 123.4 | 173.1 | -22.7 | 34.3 | 0 | 0 | 0 | 110.7 | W449 | W449-P451 WeakPolarHBondContact O-CD 3.24Š|
| 452 | I | 54.5 | Low | 64.1 | Low | 37 Ų | 37 | 77.6 Ų | 77.6 | 19% | 0.19 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -89.3 | 117.8 | 166.5 | -69.9 | 163 | 0 | 0 | 0 | 106.6 | W449 N450 F454 I634 | W449-I452 HydrophobicContact CH2-CB 4.35Å; W449-I452 HydrophobicContact CH2-CD1 3.64Å; W449-I452 HydrophobicContact CH2-CG1 4.15Å; W449-I452 HydrophobicContact CZ2-CB 4.42Å; W449-I452 HydrophobicContact CZ2-CD1 4.45Å; W449-I452 HydrophobicContact CZ3-CD1 3.96Å; N450-I452 PolarHBondContact O-N 2.67Å; I452-F454 PolarHBondContact O-N 3.09Å; I452-I634 HydrophobicContact CB-CG1 4.44Å; I452-I634 HydrophobicContact CD1-CG1 4.5Å; I452-I634 HydrophobicContact CG2-CG1 4.33Å |
| 453 | D | 51.9 | Low | 65.7 | Low | 163 Ų | 163 | 76.3 Ų | 76.3 | 87% | 0.872 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 133.2 | 171.2 | -83.4 | -36.7 | 0 | 0 | 0 | 109.9 | ||
| 454 | F | 56.4 | Low | 67.1 | Low | 77 Ų | 77 | 73.5 Ų | 73.5 | 34% | 0.338 | 37% | 0.37 | S | S | . | . | trans | -136 | 158.4 | 179.2 | 70.8 | -87.5 | 0 | 0 | 0 | 109.9 | Q439 I452 D456 | Q439-F454 VanDerWaalsContact OE1-CD1 3.31Å; Q439-F454 VanDerWaalsContact OE1-CE1 3.24Å; I452-F454 PolarHBondContact O-N 3.09Å; F454-D456 HydrophobicContact CE2-CB 4.1Å; F454-D456 PolarHBondContact O-N 2.85Å; F454-D456 VanDerWaalsContact O-N 3.08Å | ||
| 455 | T | 60.4 | Low | 67.8 | Low | 75 Ų | 75 | 67.4 Ų | 67.4 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | trans | -81.9 | 94.5 | -177.7 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | N457 Y519 | T455-N457 PolarHBondContact O-N 3.27Å; T455-Y519 HydrophobicContact CG2-CD2 4.19Å; T455-Y519 HydrophobicContact CG2-CE2 4.32Å; T455-Y519 WeakPolarHBondContact O-CD2 3.19Å; T455-Y519 VanDerWaalsContact O-CE2 3.31Å; T455-Y519 WeakPolarHBondContact O-CE2 3.5Å | ||
| 456 | D | 60.6 | Low | 67.7 | Low | 69 Ų | 69 | 72 Ų | 72 | 37% | 0.369 | 37% | 0.371 | S | S | . | . | trans | -60.7 | 129.7 | 174.9 | -179.9 | 24.3 | 0 | 0 | 0 | 112.4 | F454 Y458 P459 R502 | F454-D456 HydrophobicContact CE2-CB 4.1Å; F454-D456 PolarHBondContact O-N 2.85Å; F454-D456 VanDerWaalsContact O-N 3.08Å; D456-Y458 VanDerWaalsContact OD1-CB 3.3Å; D456-Y458 WeakPolarHBondContact OD1-CB 3.44Å; D456-Y458 PolarHBondContact OD1-N 2.76Å; D456-P459 WeakPolarHBondContact OD2-CD 3.41Å; D456-R502 PolarHBondContact O-NH2 3.08Å | ||
| 457 | N | 68.5 | Low | 67.7 | Low | 38 Ų | 38 | 71.9 Ų | 71.9 | 20% | 0.203 | 37% | 0.366 | C | S | . | . | trans | -99.7 | -10.2 | 178.8 | 71.4 | -15 | 0 | 0 | 0 | 113.4 | F437 T455 P459 V460 L461 Y519 | F437-N457 WeakPolarHBondContact CE2-ND2 3.06Å; T455-N457 PolarHBondContact O-N 3.27Å; N457-P459 VanDerWaalsContact C-CD 3.42Å; N457-P459 VanDerWaalsContact C-N 3.33Å; N457-V460 WeakPolarHBondContact O-CB 3.4Å; N457-V460 PolarHBondContact O-N 2.98Å; N457-L461 PolarHBondContact O-N 3.26Å; N457-Y519 HydrophobicContact CB-CD2 4.42Å | ||
| 458 | Y | 72.6 | Confident | 67.9 | Low | 115 Ų | 115 | 77.9 Ų | 77.9 | 45% | 0.451 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -53.2 | -39.8 | 178.3 | -175 | -85.8 | 0 | 0 | 0 | 113.5 | D456 V460 L461 D462 | D456-Y458 VanDerWaalsContact OD1-CB 3.3Å; D456-Y458 WeakPolarHBondContact OD1-CB 3.44Å; D456-Y458 PolarHBondContact OD1-N 2.76Å; Y458-V460 PolarHBondContact O-N 2.63Å; Y458-V460 VanDerWaalsContact O-N 3.1Å; Y458-L461 PolarHBondContact O-N 3.36Å; Y458-D462 HydrophobicContact CD1-CB 4.44Å; Y458-D462 HydrophobicContact CE1-CB 4.02Å; Y458-D462 PolarHBondContact O-N 3.09Å |
| 459 | P | 75.7 | Confident | 68.7 | Low | 46 Ų | 46 | 73.5 Ų | 73.5 | 30% | 0.299 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.8 | -22.5 | 176.5 | -25.9 | 35.9 | 0 | 0 | 0 | 114.5 | D456 N457 L463 R502 | D456-P459 WeakPolarHBondContact OD2-CD 3.41Å; N457-P459 VanDerWaalsContact C-CD 3.42Å; N457-P459 VanDerWaalsContact C-N 3.33Å; P459-L463 WeakPolarHBondContact O-CB 3.49Å; P459-L463 PolarHBondContact O-N 2.64Å; P459-R502 HydrophobicContact CB-CG 4.27Å |
| 460 | V | 82 | Confident | 70 | Confident | 7 Ų | 7 | 71.3 Ų | 71.3 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -81.8 | -38.2 | 174.5 | -169.9 | 0 | 0 | 0 | 0 | 110.5 | N457 Y458 L463 I464 R502 V516 I517 | N457-V460 WeakPolarHBondContact O-CB 3.4Å; N457-V460 PolarHBondContact O-N 2.98Å; Y458-V460 PolarHBondContact O-N 2.63Å; Y458-V460 VanDerWaalsContact O-N 3.1Å; V460-L463 PolarHBondContact O-N 3.34Å; V460-I464 HydrophobicContact CG1-CD1 3.91Å; V460-I464 VanDerWaalsContact O-CG1 3.26Å; V460-I464 WeakPolarHBondContact O-CG1 3.4Å; V460-I464 PolarHBondContact O-N 2.91Å; V460-I464 VanDerWaalsContact O-N 3.07Å; V460-R502 HydrophobicContact CG2-CB 4.27Å; V460-R502 HydrophobicContact CG2-CG 3.91Å; V460-V516 HydrophobicContact CG1-CG1 3.75Å; V460-I517 VanDerWaalsContact CG2-O 3.26Å; V460-I517 WeakPolarHBondContact CG2-O 3.46Å |
| 461 | L | 76.9 | Confident | 71.5 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 42% | 0.424 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.8 | -35.5 | 175.5 | -60.7 | 175.3 | 0 | 0 | 0 | 112.1 | N457 Y458 I464 A465 H466 | N457-L461 PolarHBondContact O-N 3.26Å; Y458-L461 PolarHBondContact O-N 3.36Å; L461-I464 PolarHBondContact O-N 3.19Å; L461-A465 PolarHBondContact O-N 3.41Å; L461-H466 PolarHBondContact O-N 3.01Å |
| 462 | D | 80.2 | Confident | 73.2 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 17% | 0.171 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -64.9 | -42.8 | 174.3 | -164.2 | 59.9 | 0 | 0 | 0 | 112.1 | Y458 R467 | Y458-D462 HydrophobicContact CD1-CB 4.44Å; Y458-D462 HydrophobicContact CE1-CB 4.02Å; Y458-D462 PolarHBondContact O-N 3.09Å; D462-R467 WeakPolarHBondContact O-CB 3.37Å; D462-R467 PolarHBondContact O-N 3.34Å; D462-R467 WeakPolarHBondContact OD1-CB 3.28Å; D462-R467 PolarHBondContact OD1-N 3.5Å; D462-R467 WeakPolarHBondContact OD2-CD 3.25Å; D462-R467 IonicContact OD2-NH1 2.88Å |
| 463 | L | 86.4 | Confident | 74.7 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -61.3 | -39.4 | 172.1 | 171.4 | 62.8 | 0 | 0 | 0 | 112.7 | P459 V460 N470 I471 F497 R502 Y503 V516 | P459-L463 WeakPolarHBondContact O-CB 3.49Å; P459-L463 PolarHBondContact O-N 2.64Å; V460-L463 PolarHBondContact O-N 3.34Å; L463-N470 WeakPolarHBondContact O-CA 3.42Å; L463-N470 WeakPolarHBondContact O-CB 3.5Å; L463-I471 HydrophobicContact CD1-CD1 4.1Å; L463-I471 HydrophobicContact CD1-CG1 4.24Å; L463-I471 HydrophobicContact CD2-CD1 4.44Å; L463-I471 HydrophobicContact CG-CD1 3.9Å; L463-I471 HydrophobicContact CG-CG1 4.43Å; L463-I471 WeakPolarHBondContact O-CG1 3.36Å; L463-I471 PolarHBondContact O-N 2.89Å; L463-F497 HydrophobicContact CD1-CB 3.93Å; L463-F497 HydrophobicContact CD1-CD1 3.58Å; L463-F497 HydrophobicContact CD1-CD2 3.77Å; L463-F497 HydrophobicContact CD1-CE1 4.01Å; L463-F497 HydrophobicContact CD1-CE2 4.18Å; L463-F497 HydrophobicContact CD1-CG 3.47Å; L463-F497 VanDerWaalsContact CD1-CG 3.47Å; L463-F497 HydrophobicContact CD1-CZ 4.3Å; L463-R502 HydrophobicContact CD2-CB 4.08Å; L463-Y503 HydrophobicContact CD1-CD2 4.45Å; L463-Y503 HydrophobicContact CD2-CD2 4.45Å; L463-V516 HydrophobicContact CD2-CG1 4.19Å |
| 464 | I | 85.3 | Confident | 76.4 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 17% | 0.169 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -84 | -46.4 | -173.8 | -66.6 | 168.7 | 0 | 0 | 0 | 112.8 | V460 L461 N470 I471 F472 | V460-I464 HydrophobicContact CG1-CD1 3.91Å; V460-I464 VanDerWaalsContact O-CG1 3.26Å; V460-I464 WeakPolarHBondContact O-CG1 3.4Å; V460-I464 PolarHBondContact O-N 2.91Å; V460-I464 VanDerWaalsContact O-N 3.07Å; L461-I464 PolarHBondContact O-N 3.19Å; I464-N470 PolarHBondContact O-OD1 3.4Å; I464-I471 HydrophobicContact CG1-CD1 4.29Å; I464-I471 PolarHBondContact O-N 3.37Å; I464-F472 HydrophobicContact CG2-CD1 4.2Å; I464-F472 HydrophobicContact CG2-CE1 3.75Å; I464-F472 HydrophobicContact CG2-CE2 4.19Å; I464-F472 HydrophobicContact CG2-CZ 3.74Å; I464-F472 WeakPolarHBondContact O-CG 3.38Å; I464-F472 PolarHBondContact O-N 3.34Å; I464-F472 VanDerWaalsContact O-N 3.13Å |
| 465 | A | 77.7 | Confident | 77.9 | Confident | 14 Ų | 14 | 51.3 Ų | 51.3 | 12% | 0.116 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -146.8 | -19.6 | -163.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | L461 N470 F472 | L461-A465 PolarHBondContact O-N 3.41Å; A465-N470 VanDerWaalsContact C-ND2 3.33Å; A465-N470 PolarHBondContact O-ND2 3.12Å; A465-F472 HydrophobicContact CB-CD2 3.83Å; A465-F472 HydrophobicContact CB-CE2 4.03Å |
| 466 | H | 69.2 | Low | 79 | Confident | 108 Ų | 108 | 49.2 Ų | 49.2 | 50% | 0.5 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -90 | -45.3 | -174 | -85.9 | 34.5 | 0 | 0 | 0 | 114.5 | L461 | L461-H466 PolarHBondContact O-N 3.01Å |
| 467 | R | 68.1 | Low | 80.1 | Confident | 153 Ų | 153 | 50 Ų | 50 | 58% | 0.577 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -64.2 | 154.4 | -176 | -159.5 | 172.6 | -176.9 | 143.5 | -3.5 | 112.3 | D462 S469 N470 | D462-R467 WeakPolarHBondContact O-CB 3.37Å; D462-R467 PolarHBondContact O-N 3.34Å; D462-R467 WeakPolarHBondContact OD1-CB 3.28Å; D462-R467 PolarHBondContact OD1-N 3.5Å; D462-R467 WeakPolarHBondContact OD2-CD 3.25Å; D462-R467 IonicContact OD2-NH1 2.88Å; R467-S469 PolarHBondContact O-N 3.27Å; R467-N470 PolarHBondContact O-ND2 2.99Å |
| 468 | T | 67.9 | Low | 80.9 | Confident | 145 Ų | 145 | 49 Ų | 49 | 89% | 0.89 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -61.4 | -22.9 | 177.6 | 47.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 469 | S | 78.1 | Confident | 81.2 | Confident | 45 Ų | 45 | 44 Ų | 44 | 32% | 0.315 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -124.9 | 113.6 | 162.5 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | R467 | R467-S469 PolarHBondContact O-N 3.27Š|
| 470 | N | 87.9 | Confident | 81.1 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | trans | -143.1 | 173.3 | -175.4 | 69.2 | 56.8 | 0 | 0 | 0 | 109.7 | L463 I464 A465 R467 F472 S473 L474 | L463-N470 WeakPolarHBondContact O-CA 3.42Å; L463-N470 WeakPolarHBondContact O-CB 3.5Å; I464-N470 PolarHBondContact O-OD1 3.4Å; A465-N470 VanDerWaalsContact C-ND2 3.33Å; A465-N470 PolarHBondContact O-ND2 3.12Å; R467-N470 PolarHBondContact O-ND2 2.99Å; N470-F472 VanDerWaalsContact C-N 3.33Å; N470-F472 PolarHBondContact O-N 3.49Å; N470-F472 WeakPolarHBondContact OD1-CA 3.34Å; N470-F472 WeakPolarHBondContact OD1-CB 3.46Å; N470-F472 PolarHBondContact OD1-N 3.41Å; N470-S473 PolarHBondContact N-OG 3.36Å; N470-S473 PolarHBondContact O-N 3.35Å; N470-S473 PolarHBondContact O-OG 3.42Å; N470-S473 PolarHBondContact OD1-N 3.31Å; N470-L474 WeakPolarHBondContact O-CG 3.49Å; N470-L474 PolarHBondContact O-N 3.06Å; N470-L474 VanDerWaalsContact O-N 3.14Å | ||
| 471 | I | 89.5 | Confident | 80.6 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.4 | -41.4 | -176.9 | -68.1 | 171.5 | 0 | 0 | 0 | 112.1 | L463 I464 L475 F489 F497 Y503 F514 V516 | L463-I471 HydrophobicContact CD1-CD1 4.1Å; L463-I471 HydrophobicContact CD1-CG1 4.24Å; L463-I471 HydrophobicContact CD2-CD1 4.44Å; L463-I471 HydrophobicContact CG-CD1 3.9Å; L463-I471 HydrophobicContact CG-CG1 4.43Å; L463-I471 WeakPolarHBondContact O-CG1 3.36Å; L463-I471 PolarHBondContact O-N 2.89Å; I464-I471 HydrophobicContact CG1-CD1 4.29Å; I464-I471 PolarHBondContact O-N 3.37Å; I471-L475 WeakPolarHBondContact O-CB 3.5Å; I471-L475 PolarHBondContact O-N 2.92Å; I471-F489 HydrophobicContact CG2-CE2 4.2Å; I471-F489 HydrophobicContact CG2-CZ 3.97Å; I471-F497 HydrophobicContact CG1-CD2 4.04Å; I471-F497 HydrophobicContact CG1-CE2 3.59Å; I471-F497 HydrophobicContact CG1-CZ 4.37Å; I471-Y503 HydrophobicContact CD1-CD2 4.5Å; I471-F514 HydrophobicContact CD1-CE2 4.09Å; I471-V516 HydrophobicContact CD1-CG2 4.11Å |
| 472 | F | 87.2 | Confident | 80.1 | Confident | 47 Ų | 47 | 51.9 Ų | 51.9 | 21% | 0.206 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 177.6 | -69 | -6 | 0 | 0 | 0 | 112.8 | I464 A465 N470 L475 D476 A578 F581 | I464-F472 HydrophobicContact CG2-CD1 4.2Å; I464-F472 HydrophobicContact CG2-CE1 3.75Å; I464-F472 HydrophobicContact CG2-CE2 4.19Å; I464-F472 HydrophobicContact CG2-CZ 3.74Å; I464-F472 WeakPolarHBondContact O-CG 3.38Å; I464-F472 PolarHBondContact O-N 3.34Å; I464-F472 VanDerWaalsContact O-N 3.13Å; A465-F472 HydrophobicContact CB-CD2 3.83Å; A465-F472 HydrophobicContact CB-CE2 4.03Å; N470-F472 VanDerWaalsContact C-N 3.33Å; N470-F472 PolarHBondContact O-N 3.49Å; N470-F472 WeakPolarHBondContact OD1-CA 3.34Å; N470-F472 WeakPolarHBondContact OD1-CB 3.46Å; N470-F472 PolarHBondContact OD1-N 3.41Å; F472-L475 PolarHBondContact O-N 3.22Å; F472-D476 WeakPolarHBondContact O-CB 3.48Å; F472-D476 PolarHBondContact O-N 3.24Å; F472-A578 HydrophobicContact CB-CB 4.13Å; F472-A578 HydrophobicContact CD1-CB 4.4Å; F472-A578 HydrophobicContact CD2-CB 4.24Å; F472-A578 HydrophobicContact CG-CB 4.02Å; F472-F581 AromaticContact CE2-CD1 3.87Å; F472-F581 HydrophobicContact CE2-CD1 3.87Å; F472-F581 HydrophobicContact CE2-CE1 4.14Å; F472-F581 HydrophobicContact CZ-CD1 4.35Å; F472-F581 HydrophobicContact CZ-CE1 4.38Å |
| 473 | S | 85.6 | Confident | 79.7 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 20% | 0.203 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.4 | -40.5 | -179.8 | 69.1 | 0 | 0 | 0 | 0 | 112.1 | N470 L475 D476 E477 | N470-S473 PolarHBondContact N-OG 3.36Å; N470-S473 PolarHBondContact O-N 3.35Å; N470-S473 PolarHBondContact O-OG 3.42Å; N470-S473 PolarHBondContact OD1-N 3.31Å; S473-L475 VanDerWaalsContact C-N 3.3Å; S473-L475 PolarHBondContact O-N 2.9Å; S473-D476 PolarHBondContact O-N 3.42Å; S473-E477 WeakPolarHBondContact O-CG 3.44Å; S473-E477 PolarHBondContact O-N 3.43Å |
| 474 | L | 88.5 | Confident | 79.2 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.5 | -32.4 | 175.3 | -64 | 178.9 | 0 | 0 | 0 | 112.3 | N470 E478 F489 K492 F497 | N470-L474 WeakPolarHBondContact O-CG 3.49Å; N470-L474 PolarHBondContact O-N 3.06Å; N470-L474 VanDerWaalsContact O-N 3.14Å; L474-E478 PolarHBondContact O-N 3.31Å; L474-F489 HydrophobicContact CB-CD2 4.33Å; L474-F489 HydrophobicContact CB-CE2 4.46Å; L474-K492 HydrophobicContact CD1-CB 4.27Å; L474-K492 HydrophobicContact CD2-CB 4.39Å; L474-K492 HydrophobicContact CD2-CD 4.45Å; L474-F497 HydrophobicContact CD1-CE2 3.59Å; L474-F497 HydrophobicContact CD1-CZ 3.67Å |
| 475 | L | 87.9 | Confident | 79.1 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72.5 | -41.7 | 174.1 | -175.4 | 61.9 | 0 | 0 | 0 | 111.8 | I471 F472 S473 E477 E478 C479 F489 F530 V531 N534 | I471-L475 WeakPolarHBondContact O-CB 3.5Å; I471-L475 PolarHBondContact O-N 2.92Å; F472-L475 PolarHBondContact O-N 3.22Å; S473-L475 VanDerWaalsContact C-N 3.3Å; S473-L475 PolarHBondContact O-N 2.9Å; L475-E477 VanDerWaalsContact C-N 3.34Å; L475-E477 PolarHBondContact O-N 2.99Å; L475-E478 PolarHBondContact O-N 2.74Å; L475-C479 PolarHBondContact O-N 2.95Å; L475-C479 PolarHBondContact O-SG 3.06Å; L475-F489 HydrophobicContact CB-CD2 3.93Å; L475-F489 HydrophobicContact CB-CE2 3.83Å; L475-F489 HydrophobicContact CD1-CD1 4.3Å; L475-F489 HydrophobicContact CD1-CD2 4.03Å; L475-F489 HydrophobicContact CD1-CE2 4.35Å; L475-F489 HydrophobicContact CD1-CG 4.01Å; L475-F530 HydrophobicContact CD1-CB 3.91Å; L475-F530 HydrophobicContact CD2-CD1 4.2Å; L475-V531 HydrophobicContact CD1-CG2 3.88Å; L475-N534 HydrophobicContact CD2-CB 3.98Å; L475-N534 HydrophobicContact CG-CB 4.21Å |
| 476 | D | 83.7 | Confident | 79.3 | Confident | 30 Ų | 30 | 59.9 Ų | 59.9 | 16% | 0.16 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -38.3 | 176.3 | -79.4 | -8.2 | 0 | 0 | 0 | 111.8 | F472 S473 C479 I480 N534 T576 | F472-D476 WeakPolarHBondContact O-CB 3.48Å; F472-D476 PolarHBondContact O-N 3.24Å; S473-D476 PolarHBondContact O-N 3.42Å; D476-C479 WeakPolarHBondContact O-CB 3.31Å; D476-C479 PolarHBondContact O-N 3.47Å; D476-I480 WeakPolarHBondContact O-CD1 3.44Å; D476-I480 VanDerWaalsContact O-CG1 3.25Å; D476-I480 WeakPolarHBondContact O-CG1 3.35Å; D476-I480 PolarHBondContact O-N 2.9Å; D476-N534 PolarHBondContact OD1-ND2 2.69Å; D476-T576 HydrophobicContact CB-CG2 4.38Å; D476-T576 WeakPolarHBondContact OD1-CB 3.4Å; D476-T576 WeakPolarHBondContact OD1-CG2 3.33Å; D476-T576 PolarHBondContact OD1-OG1 2.96Å; D476-T576 PolarHBondContact OD2-OG1 3.4Å |
| 477 | E | 83.4 | Confident | 80.2 | Confident | 87 Ų | 87 | 59.9 Ų | 59.9 | 41% | 0.407 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.2 | -54.1 | 170.8 | -78.6 | 176.6 | -157.3 | 0 | 0 | 112.1 | S473 L475 C479 I480 M481 K492 | S473-E477 WeakPolarHBondContact O-CG 3.44Å; S473-E477 PolarHBondContact O-N 3.43Å; L475-E477 VanDerWaalsContact C-N 3.34Å; L475-E477 PolarHBondContact O-N 2.99Å; E477-C479 PolarHBondContact O-N 3.05Å; E477-I480 WeakPolarHBondContact O-CA 3.28Å; E477-I480 WeakPolarHBondContact O-CB 3.35Å; E477-I480 PolarHBondContact O-N 3.43Å; E477-M481 WeakPolarHBondContact O-CG 3.37Å; E477-M481 PolarHBondContact O-N 2.95Å; E477-K492 IonicContact OE2-NZ 3.74Å; E477-K492 PolarHBondContact OE2-NZ 3.32Å |
| 478 | E | 85.2 | Confident | 81.1 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.7 | -26.9 | 180 | -67.4 | -59.3 | 115.8 | 0 | 0 | 112.8 | L474 L475 I480 G484 T485 F489 K492 V531 R535 | L474-E478 PolarHBondContact O-N 3.31Å; L475-E478 PolarHBondContact O-N 2.74Å; E478-I480 VanDerWaalsContact C-N 3.32Å; E478-G484 WeakPolarHBondContact O-CA 3.44Å; E478-G484 WeakPolarHBondContact OE2-CA 3.41Å; E478-T485 PolarHBondContact OE2-N 3.31Å; E478-F489 HydrophobicContact CB-CB 4.45Å; E478-F489 HydrophobicContact CG-CB 3.95Å; E478-K492 HydrophobicContact CG-CD 4.41Å; E478-K492 WeakPolarHBondContact OE1-CE 3.15Å; E478-K492 IonicContact OE1-NZ 3.54Å; E478-K492 PolarHBondContact OE1-NZ 3.34Å; E478-V531 HydrophobicContact CB-CG2 3.95Å; E478-R535 PolarHBondContact O-NH2 3.03Å |
| 479 | C | 78.8 | Confident | 82.2 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70 | -29.3 | 171.1 | -65.9 | 0 | 0 | 0 | 0 | 112.8 | L475 D476 E477 V531 N534 R535 T576 | L475-C479 PolarHBondContact O-N 2.95Å; L475-C479 PolarHBondContact O-SG 3.06Å; D476-C479 WeakPolarHBondContact O-CB 3.31Å; D476-C479 PolarHBondContact O-N 3.47Å; E477-C479 PolarHBondContact O-N 3.05Å; C479-V531 PolarHBondContact SG-O 3.34Å; C479-N534 PolarHBondContact SG-ND2 3.48Å; C479-R535 HydrophobicContact CB-CG 4.1Å; C479-T576 HydrophobicContact CB-CG2 3.99Å |
| 480 | I | 74.4 | Confident | 82.8 | Confident | 82 Ų | 82 | 45 Ų | 45 | 42% | 0.421 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -82.9 | -35.8 | 178.4 | -67.7 | 162.6 | 0 | 0 | 0 | 111.7 | D476 E477 E478 K574 | D476-I480 WeakPolarHBondContact O-CD1 3.44Å; D476-I480 VanDerWaalsContact O-CG1 3.25Å; D476-I480 WeakPolarHBondContact O-CG1 3.35Å; D476-I480 PolarHBondContact O-N 2.9Å; E477-I480 WeakPolarHBondContact O-CA 3.28Å; E477-I480 WeakPolarHBondContact O-CB 3.35Å; E477-I480 PolarHBondContact O-N 3.43Å; E478-I480 VanDerWaalsContact C-N 3.32Å; I480-K574 HydrophobicContact CB-CD 4.43Å; I480-K574 HydrophobicContact CG1-CB 4.25Å; I480-K574 HydrophobicContact CG1-CD 4.16Å; I480-K574 HydrophobicContact CG2-CD 4.33Å; I480-K574 PolarHBondContact O-NZ 2.8Å |
| 481 | M | 71.7 | Confident | 82.8 | Confident | 103 Ų | 103 | 47.5 Ų | 47.5 | 51% | 0.507 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -61.2 | 138.3 | -179.9 | -72.7 | -66 | -79.1 | 0 | 0 | 112.4 | E477 N483 G484 | E477-M481 WeakPolarHBondContact O-CG 3.37Å; E477-M481 PolarHBondContact O-N 2.95Å; M481-N483 VanDerWaalsContact C-N 3.31Å; M481-N483 PolarHBondContact O-N 3.03Å; M481-G484 PolarHBondContact O-N 3Å |
| 482 | P | 64.6 | Low | 82.8 | Confident | 115 Ų | 115 | 49.5 Ų | 49.5 | 75% | 0.747 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -40.7 | -178.4 | -25.5 | 34.5 | 0 | 0 | 0 | 113.8 | ||
| 483 | N | 72.4 | Confident | 82.9 | Confident | 147 Ų | 147 | 47.2 Ų | 47.2 | 79% | 0.786 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | 28.6 | -176.9 | -57.5 | 8.4 | 0 | 0 | 0 | 111.1 | M481 | M481-N483 VanDerWaalsContact C-N 3.31Å; M481-N483 PolarHBondContact O-N 3.03Å |
| 484 | G | 75.6 | Confident | 83.1 | Confident | 8 Ų | 8 | 47 Ų | 47 | 8% | 0.082 | 27% | 0.266 | C | S | . | . | trans | -71 | 140.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E478 M481 R535 | E478-G484 WeakPolarHBondContact O-CA 3.44Å; E478-G484 WeakPolarHBondContact OE2-CA 3.41Å; M481-G484 PolarHBondContact O-N 3Å; G484-R535 PolarHBondContact O-NH2 2.95Å; G484-R535 VanDerWaalsContact O-NH2 3.08Å | ||
| 485 | T | 83.5 | Confident | 83.1 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | trans | -138.1 | 158.8 | -170.5 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | E478 L487 G488 F489 | E478-T485 PolarHBondContact OE2-N 3.31Å; T485-L487 PolarHBondContact O-N 3.43Å; T485-G488 PolarHBondContact O-N 2.98Å; T485-G488 VanDerWaalsContact O-N 3.08Å; T485-G488 PolarHBondContact OG1-N 3.21Å; T485-G488 VanDerWaalsContact OG1-N 3.14Å; T485-F489 PolarHBondContact O-N 3.49Å | ||
| 486 | D | 83.2 | Confident | 83.1 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.7 | -32.2 | 176.5 | -58.5 | -40 | 0 | 0 | 0 | 113 | L490 V527 K528 G529 F530 V531 | D486-L490 WeakPolarHBondContact O-CB 3.35Å; D486-L490 PolarHBondContact O-N 3.24Å; D486-V527 HydrophobicContact CB-CB 4.14Å; D486-V527 HydrophobicContact CB-CG2 3.89Å; D486-V527 WeakPolarHBondContact CB-O 3.49Å; D486-K528 WeakPolarHBondContact OD2-CA 3.34Å; D486-G529 PolarHBondContact OD2-N 3Å; D486-F530 PolarHBondContact OD1-N 3.13Å; D486-V531 PolarHBondContact OD1-N 3.06Å |
| 487 | L | 87 | Confident | 83.4 | Confident | 107 Ų | 107 | 55.9 Ų | 55.9 | 56% | 0.56 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -74.5 | -36.2 | 176.3 | -64.7 | 178.5 | 0 | 0 | 0 | 111.9 | T485 L490 A491 | T485-L487 PolarHBondContact O-N 3.43Å; L487-L490 PolarHBondContact O-N 3.4Å; L487-A491 VanDerWaalsContact O-CB 3.32Å; L487-A491 WeakPolarHBondContact O-CB 3.15Å; L487-A491 PolarHBondContact O-N 2.91Å |
| 488 | G | 87.3 | Confident | 83.5 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T485 A491 K492 | T485-G488 PolarHBondContact O-N 2.98Å; T485-G488 VanDerWaalsContact O-N 3.08Å; T485-G488 PolarHBondContact OG1-N 3.21Å; T485-G488 VanDerWaalsContact OG1-N 3.14Å; G488-A491 PolarHBondContact O-N 3.3Å; G488-K492 WeakPolarHBondContact O-CG 3.47Å; G488-K492 PolarHBondContact O-N 3.25Å |
| 489 | F | 90.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.4 | -49.7 | 171.8 | 161.3 | -108.8 | 0 | 0 | 0 | 111.9 | I471 L474 L475 E478 T485 A491 K492 A493 F514 V527 F530 | I471-F489 HydrophobicContact CG2-CE2 4.2Å; I471-F489 HydrophobicContact CG2-CZ 3.97Å; L474-F489 HydrophobicContact CB-CD2 4.33Å; L474-F489 HydrophobicContact CB-CE2 4.46Å; L475-F489 HydrophobicContact CB-CD2 3.93Å; L475-F489 HydrophobicContact CB-CE2 3.83Å; L475-F489 HydrophobicContact CD1-CD1 4.3Å; L475-F489 HydrophobicContact CD1-CD2 4.03Å; L475-F489 HydrophobicContact CD1-CE2 4.35Å; L475-F489 HydrophobicContact CD1-CG 4.01Å; E478-F489 HydrophobicContact CB-CB 4.45Å; E478-F489 HydrophobicContact CG-CB 3.95Å; T485-F489 PolarHBondContact O-N 3.49Å; F489-A491 PolarHBondContact O-N 3.13Å; F489-K492 PolarHBondContact O-N 3.49Å; F489-A493 WeakPolarHBondContact O-CB 3.48Å; F489-A493 PolarHBondContact O-N 3.4Å; F489-F514 HydrophobicContact CE1-CE1 4.05Å; F489-F514 HydrophobicContact CZ-CE1 4.27Å; F489-V527 HydrophobicContact CD1-CB 4.37Å; F489-V527 HydrophobicContact CD1-CG1 4.09Å; F489-V527 HydrophobicContact CE1-CB 4.5Å; F489-V527 HydrophobicContact CE1-CG1 3.89Å; F489-F530 HydrophobicContact CD1-CD1 4.47Å; F489-F530 AromaticContact CE1-CD1 3.74Å; F489-F530 HydrophobicContact CE1-CD1 3.74Å; F489-F530 HydrophobicContact CE1-CE1 4.28Å; F489-F530 HydrophobicContact CE1-CG 4.46Å; F489-F530 HydrophobicContact CZ-CD1 4.2Å |
| 490 | L | 90.9 | Very high | 83.7 | Confident | 9 Ų | 9 | 68.2 Ų | 68.2 | 5% | 0.047 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.6 | -39.9 | -179.3 | -175.6 | 57.3 | 0 | 0 | 0 | 112.4 | D486 L487 A493 H494 F514 V527 | D486-L490 WeakPolarHBondContact O-CB 3.35Å; D486-L490 PolarHBondContact O-N 3.24Å; L487-L490 PolarHBondContact O-N 3.4Å; L490-A493 PolarHBondContact O-N 3.01Å; L490-H494 VanDerWaalsContact CD1-CE1 3.48Å; L490-H494 WeakPolarHBondContact CD1-CE1 3.41Å; L490-H494 VanDerWaalsContact CD1-NE2 3.31Å; L490-H494 WeakPolarHBondContact CD1-NE2 3.34Å; L490-H494 WeakPolarHBondContact CG-NE2 3.46Å; L490-H494 WeakPolarHBondContact O-CB 3.34Å; L490-H494 PolarHBondContact O-CD2 3.47Å; L490-H494 PolarHBondContact O-N 3.46Å; L490-F514 HydrophobicContact CD1-CB 4.15Å; L490-F514 HydrophobicContact CD1-CD1 4.13Å; L490-V527 HydrophobicContact CB-CG1 4.09Å; L490-V527 HydrophobicContact CB-CG2 4.19Å; L490-V527 HydrophobicContact CD1-CG1 3.84Å; L490-V527 HydrophobicContact CD2-CG1 4.21Å; L490-V527 HydrophobicContact CD2-CG2 3.91Å; L490-V527 HydrophobicContact CG-CG1 4.27Å |
| 491 | A | 87.7 | Confident | 84.3 | Confident | 59 Ų | 59 | 70.4 Ų | 70.4 | 49% | 0.488 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L487 G488 F489 A493 H494 Q495 | L487-A491 VanDerWaalsContact O-CB 3.32Å; L487-A491 WeakPolarHBondContact O-CB 3.15Å; L487-A491 PolarHBondContact O-N 2.91Å; G488-A491 PolarHBondContact O-N 3.3Å; F489-A491 PolarHBondContact O-N 3.13Å; A491-A493 VanDerWaalsContact C-N 3.34Å; A491-A493 PolarHBondContact O-N 3.18Å; A491-H494 PolarHBondContact O-N 3.27Å; A491-Q495 WeakPolarHBondContact O-CB 3.47Å; A491-Q495 PolarHBondContact O-N 3.08Å |
| 492 | K | 89.7 | Confident | 84.9 | Confident | 52 Ų | 52 | 68.3 Ų | 68.3 | 23% | 0.226 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.9 | -43.6 | 173.6 | -77.4 | 177.9 | 167.7 | -176.9 | 0 | 112.2 | L474 E477 E478 G488 F489 Q495 S496 | L474-K492 HydrophobicContact CD1-CB 4.27Å; L474-K492 HydrophobicContact CD2-CB 4.39Å; L474-K492 HydrophobicContact CD2-CD 4.45Å; E477-K492 IonicContact OE2-NZ 3.74Å; E477-K492 PolarHBondContact OE2-NZ 3.32Å; E478-K492 HydrophobicContact CG-CD 4.41Å; E478-K492 WeakPolarHBondContact OE1-CE 3.15Å; E478-K492 IonicContact OE1-NZ 3.54Å; E478-K492 PolarHBondContact OE1-NZ 3.34Å; G488-K492 WeakPolarHBondContact O-CG 3.47Å; G488-K492 PolarHBondContact O-N 3.25Å; F489-K492 PolarHBondContact O-N 3.49Å; K492-Q495 PolarHBondContact O-N 3.14Å; K492-S496 VanDerWaalsContact O-CB 3.28Å; K492-S496 WeakPolarHBondContact O-CB 3.36Å; K492-S496 PolarHBondContact O-N 2.85Å; K492-S496 PolarHBondContact O-OG 3.44Å |
| 493 | A | 88.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.9 | -44.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | F489 L490 A491 S496 F497 Y503 | F489-A493 WeakPolarHBondContact O-CB 3.48Å; F489-A493 PolarHBondContact O-N 3.4Å; L490-A493 PolarHBondContact O-N 3.01Å; A491-A493 VanDerWaalsContact C-N 3.34Å; A491-A493 PolarHBondContact O-N 3.18Å; A493-S496 PolarHBondContact O-N 3.38Å; A493-F497 HydrophobicContact CB-CD2 4.19Å; A493-F497 HydrophobicContact CB-CE2 4.37Å; A493-F497 WeakPolarHBondContact O-CB 3.3Å; A493-F497 VanDerWaalsContact O-CD2 3.27Å; A493-F497 WeakPolarHBondContact O-CD2 3.28Å; A493-F497 PolarHBondContact O-N 2.85Å; A493-Y503 WeakPolarHBondContact CB-OH 3.14Å |
| 494 | H | 91.3 | Very high | 87 | Confident | 25 Ų | 25 | 59.2 Ų | 59.2 | 12% | 0.116 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 172.6 | -70 | -35.9 | 0 | 0 | 0 | 112.1 | L490 A491 S496 V498 Y503 K505 T513 | L490-H494 VanDerWaalsContact CD1-CE1 3.48Å; L490-H494 WeakPolarHBondContact CD1-CE1 3.41Å; L490-H494 VanDerWaalsContact CD1-NE2 3.31Å; L490-H494 WeakPolarHBondContact CD1-NE2 3.34Å; L490-H494 WeakPolarHBondContact CG-NE2 3.46Å; L490-H494 WeakPolarHBondContact O-CB 3.34Å; L490-H494 PolarHBondContact O-CD2 3.47Å; L490-H494 PolarHBondContact O-N 3.46Å; A491-H494 PolarHBondContact O-N 3.27Å; H494-S496 VanDerWaalsContact C-N 3.31Å; H494-S496 PolarHBondContact O-N 2.97Å; H494-V498 VanDerWaalsContact O-CB 3.25Å; H494-V498 WeakPolarHBondContact O-CB 3.44Å; H494-V498 WeakPolarHBondContact O-CG1 3.5Å; H494-V498 PolarHBondContact O-N 3.39Å; H494-V498 VanDerWaalsContact O-N 3.11Å; H494-Y503 PolarHBondContact N-OH 2.94Å; H494-Y503 AromaticContact ND1-CE1 3.61Å; H494-Y503 AromaticContact ND1-CZ 3.75Å; H494-Y503 PolarHBondContact ND1-OH 3.26Å; H494-Y503 VanDerWaalsContact ND1-OH 3.09Å; H494-K505 HydrophobicContact CB-CD 4.27Å; H494-T513 PolarHBondContact CE1-O 3.38Å |
| 495 | Q | 88.6 | Confident | 87.5 | Confident | 165 Ų | 165 | 62.2 Ų | 62.2 | 77% | 0.771 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.4 | -41.1 | 178.1 | -173.8 | 179.7 | 13.4 | 0 | 0 | 112 | A491 K492 | A491-Q495 WeakPolarHBondContact O-CB 3.47Å; A491-Q495 PolarHBondContact O-N 3.08Å; K492-Q495 PolarHBondContact O-N 3.14Å |
| 496 | S | 86.6 | Confident | 87.6 | Confident | 56 Ų | 56 | 60 Ų | 60 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -78.4 | -36.6 | -176.6 | -56.4 | 0 | 0 | 0 | 0 | 113.3 | K492 A493 H494 | K492-S496 VanDerWaalsContact O-CB 3.28Å; K492-S496 WeakPolarHBondContact O-CB 3.36Å; K492-S496 PolarHBondContact O-N 2.85Å; K492-S496 PolarHBondContact O-OG 3.44Å; A493-S496 PolarHBondContact O-N 3.38Å; H494-S496 VanDerWaalsContact C-N 3.31Å; H494-S496 PolarHBondContact O-N 2.97Å |
| 497 | F | 89.5 | Confident | 87.6 | Confident | 15 Ų | 15 | 69.7 Ų | 69.7 | 7% | 0.066 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -117.6 | -2.3 | -164.2 | -50.5 | -47.2 | 0 | 0 | 0 | 115.8 | L463 I471 L474 A493 R499 N500 Y503 | L463-F497 HydrophobicContact CD1-CB 3.93Å; L463-F497 HydrophobicContact CD1-CD1 3.58Å; L463-F497 HydrophobicContact CD1-CD2 3.77Å; L463-F497 HydrophobicContact CD1-CE1 4.01Å; L463-F497 HydrophobicContact CD1-CE2 4.18Å; L463-F497 HydrophobicContact CD1-CG 3.47Å; L463-F497 VanDerWaalsContact CD1-CG 3.47Å; L463-F497 HydrophobicContact CD1-CZ 4.3Å; I471-F497 HydrophobicContact CG1-CD2 4.04Å; I471-F497 HydrophobicContact CG1-CE2 3.59Å; I471-F497 HydrophobicContact CG1-CZ 4.37Å; L474-F497 HydrophobicContact CD1-CE2 3.59Å; L474-F497 HydrophobicContact CD1-CZ 3.67Å; A493-F497 HydrophobicContact CB-CD2 4.19Å; A493-F497 HydrophobicContact CB-CE2 4.37Å; A493-F497 WeakPolarHBondContact O-CB 3.3Å; A493-F497 VanDerWaalsContact O-CD2 3.27Å; A493-F497 WeakPolarHBondContact O-CD2 3.28Å; A493-F497 PolarHBondContact O-N 2.85Å; F497-R499 PolarHBondContact O-N 3.32Å; F497-N500 WeakPolarHBondContact O-CB 3.34Å; F497-N500 PolarHBondContact O-N 3.03Å; F497-Y503 HydrophobicContact CB-CD1 3.61Å; F497-Y503 HydrophobicContact CB-CD2 3.88Å; F497-Y503 HydrophobicContact CB-CE1 4Å; F497-Y503 HydrophobicContact CB-CE2 4.25Å; F497-Y503 HydrophobicContact CB-CG 3.53Å; F497-Y503 HydrophobicContact CD2-CD2 4.3Å; F497-Y503 HydrophobicContact CD2-CE2 4.16Å |
| 498 | V | 85.4 | Confident | 87.2 | Confident | 84 Ų | 84 | 67.4 Ų | 67.4 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.4 | 178.4 | 67.7 | 0 | 0 | 0 | 0 | 114.8 | H494 K505 | H494-V498 VanDerWaalsContact O-CB 3.25Å; H494-V498 WeakPolarHBondContact O-CB 3.44Å; H494-V498 WeakPolarHBondContact O-CG1 3.5Å; H494-V498 PolarHBondContact O-N 3.39Å; H494-V498 VanDerWaalsContact O-N 3.11Å; V498-K505 HydrophobicContact CG2-CB 4.49Å |
| 499 | R | 84.6 | Confident | 86.4 | Confident | 245 Ų | 245 | 72.2 Ų | 72.2 | 93% | 0.925 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -3.9 | 173.5 | -63.8 | -175.1 | -179.9 | -179.2 | 0.3 | 114.3 | F497 | F497-R499 PolarHBondContact O-N 3.32Š|
| 500 | N | 85.2 | Confident | 85.6 | Confident | 43 Ų | 43 | 79.8 Ų | 79.8 | 23% | 0.23 | 40% | 0.403 | C | S | . | . | trans | -86.4 | 123.5 | 179.3 | -175.1 | -32.5 | 0 | 0 | 0 | 109.5 | F497 R502 Y503 | F497-N500 WeakPolarHBondContact O-CB 3.34Å; F497-N500 PolarHBondContact O-N 3.03Å; N500-R502 PolarHBondContact O-N 3.37Å; N500-R502 VanDerWaalsContact O-N 3.07Å; N500-R502 WeakPolarHBondContact OD1-CB 3.45Å; N500-R502 PolarHBondContact OD1-N 2.81Å; N500-Y503 PolarHBondContact O-N 3.29Å | ||
| 501 | N | 85.8 | Confident | 84.8 | Confident | 127 Ų | 127 | 81.3 Ų | 81.3 | 68% | 0.679 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -9.1 | -178.9 | 67.1 | -11.2 | 0 | 0 | 0 | 114.6 | ||
| 502 | R | 85.6 | Confident | 84.7 | Confident | 59 Ų | 59 | 80.5 Ų | 80.5 | 22% | 0.223 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -2 | 171.5 | -55.8 | -57 | -166.4 | -179.3 | 7 | 113.9 | D456 P459 V460 L463 N500 V516 I517 | D456-R502 PolarHBondContact O-NH2 3.08Å; P459-R502 HydrophobicContact CB-CG 4.27Å; V460-R502 HydrophobicContact CG2-CB 4.27Å; V460-R502 HydrophobicContact CG2-CG 3.91Å; L463-R502 HydrophobicContact CD2-CB 4.08Å; N500-R502 PolarHBondContact O-N 3.37Å; N500-R502 VanDerWaalsContact O-N 3.07Å; N500-R502 WeakPolarHBondContact OD1-CB 3.45Å; N500-R502 PolarHBondContact OD1-N 2.81Å; R502-V516 WeakPolarHBondContact O-CA 3.42Å; R502-I517 PolarHBondContact O-N 3.02Å |
| 503 | Y | 90.6 | Very high | 84.7 | Confident | 7 Ų | 7 | 79 Ų | 79 | 3% | 0.027 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 118.3 | 179.7 | -174.8 | -90.6 | 0 | 0 | 0 | 111 | L463 I471 A493 H494 F497 N500 F514 V516 | L463-Y503 HydrophobicContact CD1-CD2 4.45Å; L463-Y503 HydrophobicContact CD2-CD2 4.45Å; I471-Y503 HydrophobicContact CD1-CD2 4.5Å; A493-Y503 WeakPolarHBondContact CB-OH 3.14Å; H494-Y503 PolarHBondContact N-OH 2.94Å; H494-Y503 AromaticContact ND1-CE1 3.61Å; H494-Y503 AromaticContact ND1-CZ 3.75Å; H494-Y503 PolarHBondContact ND1-OH 3.26Å; H494-Y503 VanDerWaalsContact ND1-OH 3.09Å; F497-Y503 HydrophobicContact CB-CD1 3.61Å; F497-Y503 HydrophobicContact CB-CD2 3.88Å; F497-Y503 HydrophobicContact CB-CE1 4Å; F497-Y503 HydrophobicContact CB-CE2 4.25Å; F497-Y503 HydrophobicContact CB-CG 3.53Å; F497-Y503 HydrophobicContact CD2-CD2 4.3Å; F497-Y503 HydrophobicContact CD2-CE2 4.16Å; N500-Y503 PolarHBondContact O-N 3.29Å; Y503-F514 HydrophobicContact CD2-CD2 4.21Å; Y503-F514 HydrophobicContact CE2-CB 3.77Å; Y503-F514 AromaticContact CE2-CD2 3.55Å; Y503-F514 HydrophobicContact CE2-CD2 3.55Å; Y503-F514 HydrophobicContact CE2-CE2 4.42Å; Y503-F514 AromaticContact CE2-CG 3.89Å; Y503-F514 HydrophobicContact CE2-CG 3.89Å; Y503-F514 WeakPolarHBondContact OH-CB 3.41Å; Y503-V516 HydrophobicContact CD2-CG2 4.48Å |
| 504 | V | 89 | Confident | 84.8 | Confident | 65 Ų | 65 | 79.2 Ų | 79.2 | 39% | 0.394 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 116.9 | 180 | 173.9 | 0 | 0 | 0 | 0 | 109.3 | T515 I517 | V504-T515 HydrophobicContact CB-CG2 4.48Å; V504-T515 PolarHBondContact N-O 3.03Å; V504-T515 PolarHBondContact O-N 3.38Å; V504-I517 HydrophobicContact CG2-CD1 4.01Å; V504-I517 HydrophobicContact CG2-CG1 4.3Å |
| 505 | K | 87.6 | Confident | 84.7 | Confident | 70 Ų | 70 | 78.9 Ų | 78.9 | 30% | 0.304 | 40% | 0.4 | S | S | . | . | trans | -75.7 | 134.5 | 167.6 | 179.8 | 176.8 | -179.1 | -165.6 | 0 | 109.1 | H494 V498 D509 | H494-K505 HydrophobicContact CB-CD 4.27Å; V498-K505 HydrophobicContact CG2-CB 4.49Å; K505-D509 WeakPolarHBondContact CE-OD1 3.3Å; K505-D509 IonicContact NZ-OD1 2.73Å; K505-D509 PolarHBondContact NZ-OD1 3.15Å; K505-D509 IonicContact NZ-OD2 3.89Å; K505-D509 PolarHBondContact NZ-OD2 2.99Å | ||
| 506 | P | 85.5 | Confident | 84.7 | Confident | 26 Ų | 26 | 71 Ų | 71 | 17% | 0.169 | 36% | 0.364 | C | S | . | . | trans | -62.8 | 155 | 173.8 | 27.6 | -36.3 | 0 | 0 | 0 | 111.8 | S508 T513 | P506-S508 PolarHBondContact O-N 3.24Å; P506-S508 VanDerWaalsContact O-N 3.09Å; P506-T513 VanDerWaalsContact CD-O 3.23Å; P506-T513 WeakPolarHBondContact CD-O 3.47Å; P506-T513 WeakPolarHBondContact CG-O 3.33Å | ||
| 507 | K | 81.4 | Confident | 84.6 | Confident | 227 Ų | 227 | 70.8 Ų | 70.8 | 99% | 0.987 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -67.2 | -7.1 | -179 | -68.2 | -174.1 | 178.2 | -178.9 | 0 | 115.1 | ||
| 508 | S | 78.9 | Confident | 83.7 | Confident | 59 Ų | 59 | 72 Ų | 72 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | trans | -131.8 | 126.4 | -178.4 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | P506 L510 S511 | P506-S508 PolarHBondContact O-N 3.24Å; P506-S508 VanDerWaalsContact O-N 3.09Å; S508-L510 PolarHBondContact O-N 2.87Å; S508-L510 PolarHBondContact OG-N 2.96Å; S508-S511 WeakPolarHBondContact O-CB 3.4Å; S508-S511 PolarHBondContact O-N 3.33Å | ||
| 509 | D | 71.1 | Confident | 82.8 | Confident | 123 Ų | 123 | 71.2 Ų | 71.2 | 66% | 0.658 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -10.1 | -179.8 | -71.1 | 4.9 | 0 | 0 | 0 | 112.8 | K505 S511 | K505-D509 WeakPolarHBondContact CE-OD1 3.3Å; K505-D509 IonicContact NZ-OD1 2.73Å; K505-D509 PolarHBondContact NZ-OD1 3.15Å; K505-D509 IonicContact NZ-OD2 3.89Å; K505-D509 PolarHBondContact NZ-OD2 2.99Å; D509-S511 VanDerWaalsContact C-N 3.26Å |
| 510 | L | 73.8 | Confident | 81.5 | Confident | 159 Ų | 159 | 63.4 Ų | 63.4 | 83% | 0.832 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -16 | 167.3 | -61.6 | 172.1 | 0 | 0 | 0 | 112.4 | S508 C512 | S508-L510 PolarHBondContact O-N 2.87Å; S508-L510 PolarHBondContact OG-N 2.96Å; L510-C512 PolarHBondContact O-N 2.97Å |
| 511 | S | 74.8 | Confident | 80.6 | Confident | 41 Ų | 41 | 62.4 Ų | 62.4 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | trans | -78.2 | 109.5 | 177.6 | -168.5 | 0 | 0 | 0 | 0 | 109.8 | S508 D509 T513 | S508-S511 WeakPolarHBondContact O-CB 3.4Å; S508-S511 PolarHBondContact O-N 3.33Å; D509-S511 VanDerWaalsContact C-N 3.26Å; S511-T513 PolarHBondContact O-N 3.19Å; S511-T513 PolarHBondContact OG-OG1 3.14Å | ||
| 512 | C | 85.2 | Confident | 80.1 | Confident | 43 Ų | 43 | 61 Ų | 61 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | trans | -74.2 | 47.9 | 176.8 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | L510 H526 V527 | L510-C512 PolarHBondContact O-N 2.97Å; C512-H526 WeakPolarHBondContact O-CA 3.5Å; C512-V527 HydrophobicContact CB-CG2 4.2Å; C512-V527 PolarHBondContact O-N 3.24Å | ||
| 513 | T | 89.5 | Confident | 79.7 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 12% | 0.117 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 156.8 | -171.9 | 69.9 | 0 | 0 | 0 | 0 | 113.1 | H494 P506 S511 T524 Y525 H526 | H494-T513 PolarHBondContact CE1-O 3.38Å; P506-T513 VanDerWaalsContact CD-O 3.23Å; P506-T513 WeakPolarHBondContact CD-O 3.47Å; P506-T513 WeakPolarHBondContact CG-O 3.33Å; S511-T513 PolarHBondContact O-N 3.19Å; S511-T513 PolarHBondContact OG-OG1 3.14Å; T513-T524 HydrophobicContact CG2-CG2 4.27Å; T513-Y525 CarbonylContact C-O 3.48Å; T513-Y525 WeakPolarHBondContact CA-O 3.17Å; T513-Y525 WeakPolarHBondContact CB-O 3.02Å; T513-H526 HydrophobicContact CG2-CB 4.16Å |
| 514 | F | 91.5 | Very high | 79.5 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 148 | 165.5 | 68.1 | -85.9 | 0 | 0 | 0 | 109.6 | I471 F489 L490 Y503 V516 Y525 V527 F530 | I471-F514 HydrophobicContact CD1-CE2 4.09Å; F489-F514 HydrophobicContact CE1-CE1 4.05Å; F489-F514 HydrophobicContact CZ-CE1 4.27Å; L490-F514 HydrophobicContact CD1-CB 4.15Å; L490-F514 HydrophobicContact CD1-CD1 4.13Å; Y503-F514 HydrophobicContact CD2-CD2 4.21Å; Y503-F514 HydrophobicContact CE2-CB 3.77Å; Y503-F514 AromaticContact CE2-CD2 3.55Å; Y503-F514 HydrophobicContact CE2-CD2 3.55Å; Y503-F514 HydrophobicContact CE2-CE2 4.42Å; Y503-F514 AromaticContact CE2-CG 3.89Å; Y503-F514 HydrophobicContact CE2-CG 3.89Å; Y503-F514 WeakPolarHBondContact OH-CB 3.41Å; F514-V516 HydrophobicContact CD2-CG2 3.83Å; F514-V516 HydrophobicContact CE2-CG2 3.68Å; F514-Y525 HydrophobicContact CD2-CD2 4.24Å; F514-Y525 HydrophobicContact CE1-CG 4.41Å; F514-Y525 AromaticContact CE2-CD2 3.68Å; F514-Y525 HydrophobicContact CE2-CD2 3.68Å; F514-Y525 HydrophobicContact CE2-CE2 4.48Å; F514-Y525 HydrophobicContact CE2-CG 4.09Å; F514-Y525 AromaticContact CZ-CD2 3.98Å; F514-Y525 HydrophobicContact CZ-CD2 3.98Å; F514-Y525 AromaticContact CZ-CG 3.89Å; F514-Y525 HydrophobicContact CZ-CG 3.89Å; F514-Y525 PolarHBondContact N-O 3.21Å; F514-Y525 PolarHBondContact O-N 3.07Å; F514-V527 HydrophobicContact CD1-CG1 3.78Å; F514-V527 HydrophobicContact CE1-CG1 3.9Å; F514-F530 HydrophobicContact CE1-CE1 4.12Å; F514-F530 HydrophobicContact CE1-CZ 4.42Å; F514-F530 HydrophobicContact CZ-CE1 4.21Å |
| 515 | T | 88.6 | Confident | 79.3 | Confident | 17 Ų | 17 | 65 Ų | 65 | 10% | 0.104 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.2 | 179.5 | -58.1 | 0 | 0 | 0 | 0 | 109.8 | V504 P522 V523 T524 | V504-T515 HydrophobicContact CB-CG2 4.48Å; V504-T515 PolarHBondContact N-O 3.03Å; V504-T515 PolarHBondContact O-N 3.38Å; T515-P522 HydrophobicContact CG2-CB 3.73Å; T515-V523 CarbonylContact C-O 3.51Å; T515-V523 VanDerWaalsContact CA-O 3.3Å; T515-V523 WeakPolarHBondContact CA-O 3.21Å; T515-T524 PolarHBondContact OG1-OG1 2.92Å |
| 516 | V | 88.2 | Confident | 79.1 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.006 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.3 | 171.8 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | V460 L463 I471 R502 Y503 F514 H518 P522 V523 Y525 | V460-V516 HydrophobicContact CG1-CG1 3.75Å; L463-V516 HydrophobicContact CD2-CG1 4.19Å; I471-V516 HydrophobicContact CD1-CG2 4.11Å; R502-V516 WeakPolarHBondContact O-CA 3.42Å; Y503-V516 HydrophobicContact CD2-CG2 4.48Å; F514-V516 HydrophobicContact CD2-CG2 3.83Å; F514-V516 HydrophobicContact CE2-CG2 3.68Å; V516-H518 PolarHBondContact O-CD2 2.95Å; V516-H518 PolarHBondContact O-N 2.95Å; V516-P522 WeakPolarHBondContact O-CA 3.38Å; V516-V523 PolarHBondContact N-O 3.49Å; V516-V523 PolarHBondContact O-N 2.74Å; V516-Y525 HydrophobicContact CB-CE2 4.18Å; V516-Y525 HydrophobicContact CG2-CD2 4.39Å; V516-Y525 HydrophobicContact CG2-CE2 4.21Å |
| 517 | I | 83.9 | Confident | 79.2 | Confident | 50 Ų | 50 | 65.7 Ų | 65.7 | 26% | 0.256 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 93.5 | 174.6 | -54.6 | -179.1 | 0 | 0 | 0 | 107.7 | V460 R502 V504 | V460-I517 VanDerWaalsContact CG2-O 3.26Å; V460-I517 WeakPolarHBondContact CG2-O 3.46Å; R502-I517 PolarHBondContact O-N 3.02Å; V504-I517 HydrophobicContact CG2-CD1 4.01Å; V504-I517 HydrophobicContact CG2-CG1 4.3Å |
| 518 | H | 72.5 | Confident | 79.2 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 19% | 0.194 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 169.9 | 173.4 | -65.9 | -95.2 | 0 | 0 | 0 | 110.7 | V516 T520 G521 Y525 | V516-H518 PolarHBondContact O-CD2 2.95Å; V516-H518 PolarHBondContact O-N 2.95Å; H518-T520 PolarHBondContact O-N 3.44Å; H518-G521 PolarHBondContact N-O 2.71Å; H518-G521 PolarHBondContact O-N 3.07Å; H518-Y525 PolarHBondContact CE1-OH 3.04Å; H518-Y525 AromaticContact NE2-CE2 3.56Å; H518-Y525 AromaticContact NE2-CZ 3.66Å; H518-Y525 PolarHBondContact NE2-OH 3.38Å |
| 519 | Y | 64.9 | Low | 79 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 26% | 0.263 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -31.8 | 172.7 | -174.8 | -99.4 | 0 | 0 | 0 | 112.2 | T455 N457 G521 L624 G627 D630 | T455-Y519 HydrophobicContact CG2-CD2 4.19Å; T455-Y519 HydrophobicContact CG2-CE2 4.32Å; T455-Y519 WeakPolarHBondContact O-CD2 3.19Å; T455-Y519 VanDerWaalsContact O-CE2 3.31Å; T455-Y519 WeakPolarHBondContact O-CE2 3.5Å; N457-Y519 HydrophobicContact CB-CD2 4.42Å; Y519-G521 VanDerWaalsContact C-N 3.27Å; Y519-G521 PolarHBondContact O-N 2.8Å; Y519-L624 VanDerWaalsContact CE1-O 3.32Å; Y519-L624 WeakPolarHBondContact CE1-O 3.39Å; Y519-G627 WeakPolarHBondContact OH-CA 3.41Å; Y519-D630 PolarHBondContact OH-OD2 3.25Å |
| 520 | T | 57 | Low | 79.6 | Confident | 80 Ų | 80 | 56.4 Ų | 56.4 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 8.9 | 176.3 | 65.7 | 0 | 0 | 0 | 0 | 114 | H518 C625 | H518-T520 PolarHBondContact O-N 3.44Å; T520-C625 HydrophobicContact CG2-CB 3.77Å; T520-C625 VanDerWaalsContact CG2-SG 3.52Å |
| 521 | G | 66.3 | Low | 79.8 | Confident | 23 Ų | 23 | 49 Ų | 49 | 24% | 0.237 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 100.5 | -174.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | H518 Y519 | H518-G521 PolarHBondContact N-O 2.71Å; H518-G521 PolarHBondContact O-N 3.07Å; Y519-G521 VanDerWaalsContact C-N 3.27Å; Y519-G521 PolarHBondContact O-N 2.8Å |
| 522 | P | 75.7 | Confident | 79.5 | Confident | 97 Ų | 97 | 51.4 Ų | 51.4 | 63% | 0.63 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 125.4 | -175 | 29.5 | -33.8 | 0 | 0 | 0 | 112.8 | T515 V516 | T515-P522 HydrophobicContact CG2-CB 3.73Å; V516-P522 WeakPolarHBondContact O-CA 3.38Å |
| 523 | V | 78.1 | Confident | 78.9 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 32% | 0.321 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124 | 174.5 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | T515 V516 Y525 | T515-V523 CarbonylContact C-O 3.51Å; T515-V523 VanDerWaalsContact CA-O 3.3Å; T515-V523 WeakPolarHBondContact CA-O 3.21Å; V516-V523 PolarHBondContact N-O 3.49Å; V516-V523 PolarHBondContact O-N 2.74Å; V523-Y525 HydrophobicContact CB-CE2 3.98Å; V523-Y525 HydrophobicContact CG1-CD2 4.39Å; V523-Y525 HydrophobicContact CG1-CE1 4.21Å; V523-Y525 HydrophobicContact CG1-CE2 3.78Å |
| 524 | T | 85.3 | Confident | 78.4 | Confident | 85 Ų | 85 | 53.8 Ų | 53.8 | 52% | 0.521 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 117.2 | 180 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | T513 T515 | T513-T524 HydrophobicContact CG2-CG2 4.27Å; T515-T524 PolarHBondContact OG1-OG1 2.92Å |
| 525 | Y | 84.5 | Confident | 77.4 | Confident | 78 Ų | 78 | 56.1 Ų | 56.1 | 31% | 0.306 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 139.5 | 178.2 | -62.8 | -86.9 | 0 | 0 | 0 | 110.4 | T513 F514 V516 H518 V523 F530 | T513-Y525 CarbonylContact C-O 3.48Å; T513-Y525 WeakPolarHBondContact CA-O 3.17Å; T513-Y525 WeakPolarHBondContact CB-O 3.02Å; F514-Y525 HydrophobicContact CD2-CD2 4.24Å; F514-Y525 HydrophobicContact CE1-CG 4.41Å; F514-Y525 AromaticContact CE2-CD2 3.68Å; F514-Y525 HydrophobicContact CE2-CD2 3.68Å; F514-Y525 HydrophobicContact CE2-CE2 4.48Å; F514-Y525 HydrophobicContact CE2-CG 4.09Å; F514-Y525 AromaticContact CZ-CD2 3.98Å; F514-Y525 HydrophobicContact CZ-CD2 3.98Å; F514-Y525 AromaticContact CZ-CG 3.89Å; F514-Y525 HydrophobicContact CZ-CG 3.89Å; F514-Y525 PolarHBondContact N-O 3.21Å; F514-Y525 PolarHBondContact O-N 3.07Å; V516-Y525 HydrophobicContact CB-CE2 4.18Å; V516-Y525 HydrophobicContact CG2-CD2 4.39Å; V516-Y525 HydrophobicContact CG2-CE2 4.21Å; H518-Y525 PolarHBondContact CE1-OH 3.04Å; H518-Y525 AromaticContact NE2-CE2 3.56Å; H518-Y525 AromaticContact NE2-CZ 3.66Å; H518-Y525 PolarHBondContact NE2-OH 3.38Å; V523-Y525 HydrophobicContact CB-CE2 3.98Å; V523-Y525 HydrophobicContact CG1-CD2 4.39Å; V523-Y525 HydrophobicContact CG1-CE1 4.21Å; V523-Y525 HydrophobicContact CG1-CE2 3.78Å; Y525-F530 HydrophobicContact CD1-CZ 4.37Å |
| 526 | H | 85.2 | Confident | 76.4 | Confident | 107 Ų | 107 | 57.6 Ų | 57.6 | 50% | 0.495 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122 | 174.5 | -174.6 | -78.6 | 0 | 0 | 0 | 109.6 | C512 T513 K528 F530 | C512-H526 WeakPolarHBondContact O-CA 3.5Å; T513-H526 HydrophobicContact CG2-CB 4.16Å; H526-K528 VanDerWaalsContact C-N 3.32Å; H526-K528 PolarHBondContact ND1-N 3.26Å; H526-K528 PolarHBondContact O-N 3Å; H526-F530 VanDerWaalsContact O-CE2 3.23Å; H526-F530 WeakPolarHBondContact O-CE2 3.34Å |
| 527 | V | 86.9 | Confident | 75.2 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | trans | -74 | -15.5 | -163.5 | -60.6 | 0 | 0 | 0 | 0 | 115.4 | D486 F489 L490 C512 F514 G529 F530 | D486-V527 HydrophobicContact CB-CB 4.14Å; D486-V527 HydrophobicContact CB-CG2 3.89Å; D486-V527 WeakPolarHBondContact CB-O 3.49Å; F489-V527 HydrophobicContact CD1-CB 4.37Å; F489-V527 HydrophobicContact CD1-CG1 4.09Å; F489-V527 HydrophobicContact CE1-CB 4.5Å; F489-V527 HydrophobicContact CE1-CG1 3.89Å; L490-V527 HydrophobicContact CB-CG1 4.09Å; L490-V527 HydrophobicContact CB-CG2 4.19Å; L490-V527 HydrophobicContact CD1-CG1 3.84Å; L490-V527 HydrophobicContact CD2-CG1 4.21Å; L490-V527 HydrophobicContact CD2-CG2 3.91Å; L490-V527 HydrophobicContact CG-CG1 4.27Å; C512-V527 HydrophobicContact CB-CG2 4.2Å; C512-V527 PolarHBondContact O-N 3.24Å; F514-V527 HydrophobicContact CD1-CG1 3.78Å; F514-V527 HydrophobicContact CE1-CG1 3.9Å; V527-G529 PolarHBondContact O-N 3.27Å; V527-F530 VanDerWaalsContact O-CB 3.23Å; V527-F530 WeakPolarHBondContact O-CB 3.35Å; V527-F530 WeakPolarHBondContact O-CD2 3.47Å; V527-F530 WeakPolarHBondContact O-CG 3.44Å; V527-F530 PolarHBondContact O-N 2.8Å | ||
| 528 | K | 80.5 | Confident | 74.4 | Confident | 159 Ų | 159 | 61.2 Ų | 61.2 | 69% | 0.691 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 123.1 | -175.1 | -174.2 | 174.5 | -179.3 | 175.6 | 0 | 113.1 | D486 H526 | D486-K528 WeakPolarHBondContact OD2-CA 3.34Å; H526-K528 VanDerWaalsContact C-N 3.32Å; H526-K528 PolarHBondContact ND1-N 3.26Å; H526-K528 PolarHBondContact O-N 3Å |
| 529 | G | 75.5 | Confident | 74.3 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 16.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D486 V527 E532 K533 | D486-G529 PolarHBondContact OD2-N 3Å; V527-G529 PolarHBondContact O-N 3.27Å; G529-E532 WeakPolarHBondContact CA-OE2 3.23Å; G529-K533 VanDerWaalsContact O-CB 3.24Å; G529-K533 WeakPolarHBondContact O-CB 3.4Å; G529-K533 WeakPolarHBondContact O-CD 3.34Å; G529-K533 WeakPolarHBondContact O-CG 3.27Å; G529-K533 PolarHBondContact O-N 3.14Å; G529-K533 VanDerWaalsContact O-N 3.13Å |
| 530 | F | 83.3 | Confident | 74.6 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 23% | 0.232 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.9 | -47.4 | 177.5 | -95.2 | -131.4 | 0 | 0 | 0 | 111.3 | L475 D486 F489 F514 Y525 H526 V527 K533 N534 | L475-F530 HydrophobicContact CD1-CB 3.91Å; L475-F530 HydrophobicContact CD2-CD1 4.2Å; D486-F530 PolarHBondContact OD1-N 3.13Å; F489-F530 HydrophobicContact CD1-CD1 4.47Å; F489-F530 AromaticContact CE1-CD1 3.74Å; F489-F530 HydrophobicContact CE1-CD1 3.74Å; F489-F530 HydrophobicContact CE1-CE1 4.28Å; F489-F530 HydrophobicContact CE1-CG 4.46Å; F489-F530 HydrophobicContact CZ-CD1 4.2Å; F514-F530 HydrophobicContact CE1-CE1 4.12Å; F514-F530 HydrophobicContact CE1-CZ 4.42Å; F514-F530 HydrophobicContact CZ-CE1 4.21Å; Y525-F530 HydrophobicContact CD1-CZ 4.37Å; H526-F530 VanDerWaalsContact O-CE2 3.23Å; H526-F530 WeakPolarHBondContact O-CE2 3.34Å; V527-F530 VanDerWaalsContact O-CB 3.23Å; V527-F530 WeakPolarHBondContact O-CB 3.35Å; V527-F530 WeakPolarHBondContact O-CD2 3.47Å; V527-F530 WeakPolarHBondContact O-CG 3.44Å; V527-F530 PolarHBondContact O-N 2.8Å; F530-K533 PolarHBondContact O-N 3.44Å; F530-N534 WeakPolarHBondContact O-CB 3.45Å; F530-N534 PolarHBondContact O-N 2.94Å; F530-N534 VanDerWaalsContact O-N 3.08Å |
| 531 | V | 79.3 | Confident | 75.8 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.1 | -46.3 | -179 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | L475 E478 C479 D486 K533 N534 R535 | L475-V531 HydrophobicContact CD1-CG2 3.88Å; E478-V531 HydrophobicContact CB-CG2 3.95Å; C479-V531 PolarHBondContact SG-O 3.34Å; D486-V531 PolarHBondContact OD1-N 3.06Å; V531-K533 PolarHBondContact O-N 3.04Å; V531-N534 PolarHBondContact O-N 2.93Å; V531-R535 VanDerWaalsContact CG1-CZ 3.47Å; V531-R535 WeakPolarHBondContact O-CG 3.38Å; V531-R535 PolarHBondContact O-N 2.95Å |
| 532 | E | 68.7 | Low | 76.5 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 42% | 0.421 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.1 | -46.1 | 175.4 | -63.7 | 162.3 | -170.8 | 0 | 0 | 112.7 | K398 G529 N534 R535 | K398-E532 PolarHBondContact NZ-O 3.19Å; G529-E532 WeakPolarHBondContact CA-OE2 3.23Å; E532-N534 VanDerWaalsContact C-N 3.34Å; E532-N534 PolarHBondContact O-N 3.36Å; E532-R535 PolarHBondContact O-N 3.23Å |
| 533 | K | 72.7 | Confident | 76.9 | Confident | 104 Ų | 104 | 55.5 Ų | 55.5 | 45% | 0.452 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68 | -33.4 | 179.7 | -73 | 166 | -165.7 | 159.3 | 0 | 112.3 | G529 F530 V531 | G529-K533 VanDerWaalsContact O-CB 3.24Å; G529-K533 WeakPolarHBondContact O-CB 3.4Å; G529-K533 WeakPolarHBondContact O-CD 3.34Å; G529-K533 WeakPolarHBondContact O-CG 3.27Å; G529-K533 PolarHBondContact O-N 3.14Å; G529-K533 VanDerWaalsContact O-N 3.13Å; F530-K533 PolarHBondContact O-N 3.44Å; V531-K533 PolarHBondContact O-N 3.04Å |
| 534 | N | 77.8 | Confident | 77 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -82.3 | -18.2 | -179.8 | -169.2 | 44.9 | 0 | 0 | 0 | 113.6 | L475 D476 C479 F530 V531 E532 E536 T576 A577 A578 | L475-N534 HydrophobicContact CD2-CB 3.98Å; L475-N534 HydrophobicContact CG-CB 4.21Å; D476-N534 PolarHBondContact OD1-ND2 2.69Å; C479-N534 PolarHBondContact SG-ND2 3.48Å; F530-N534 WeakPolarHBondContact O-CB 3.45Å; F530-N534 PolarHBondContact O-N 2.94Å; F530-N534 VanDerWaalsContact O-N 3.08Å; V531-N534 PolarHBondContact O-N 2.93Å; E532-N534 VanDerWaalsContact C-N 3.34Å; E532-N534 PolarHBondContact O-N 3.36Å; N534-E536 PolarHBondContact O-N 3.37Å; N534-T576 WeakPolarHBondContact O-CA 3.12Å; N534-A577 PolarHBondContact O-N 3.5Å; N534-A577 VanDerWaalsContact O-N 3.1Å; N534-A577 WeakPolarHBondContact OD1-CB 3.49Å; N534-A577 PolarHBondContact OD1-N 3.04Å; N534-A577 VanDerWaalsContact OD1-N 3.11Å; N534-A578 WeakPolarHBondContact OD1-CB 3.44Å; N534-A578 PolarHBondContact OD1-N 3.35Å |
| 535 | R | 71.6 | Confident | 77.1 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 21% | 0.211 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -71.7 | 111.1 | 169.2 | -75.2 | 174.1 | -179.4 | 156.1 | 10.6 | 111.1 | D391 K398 E478 C479 G484 V531 E532 | D391-R535 IonicContact OD2-NH1 3.31Å; K398-R535 PolarHBondContact NZ-O 3.17Å; E478-R535 PolarHBondContact O-NH2 3.03Å; C479-R535 HydrophobicContact CB-CG 4.1Å; G484-R535 PolarHBondContact O-NH2 2.95Å; G484-R535 VanDerWaalsContact O-NH2 3.08Å; V531-R535 VanDerWaalsContact CG1-CZ 3.47Å; V531-R535 WeakPolarHBondContact O-CG 3.38Å; V531-R535 PolarHBondContact O-N 2.95Å; E532-R535 PolarHBondContact O-N 3.23Å |
| 536 | E | 66.2 | Low | 77.1 | Confident | 48 Ų | 48 | 48.4 Ų | 48.4 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | trans | -110 | 35.3 | 168.7 | -65.8 | -160.8 | -179.6 | 0 | 0 | 112.2 | K236 N534 F538 A577 Q580 | K236-E536 WeakPolarHBondContact CD-OE1 3.43Å; K236-E536 IonicContact NZ-OE1 3.77Å; K236-E536 PolarHBondContact NZ-OE1 3.41Å; K236-E536 IonicContact NZ-OE2 3.99Å; K236-E536 PolarHBondContact NZ-OE2 2.96Å; N534-E536 PolarHBondContact O-N 3.37Å; E536-F538 PolarHBondContact O-N 2.79Å; E536-A577 HydrophobicContact CG-CB 4.29Å; E536-Q580 PolarHBondContact OE2-NE2 3.03Å; E536-Q580 PolarHBondContact OE2-OE1 2.83Å | ||
| 537 | H | 63.5 | Low | 77 | Confident | 82 Ų | 82 | 48.9 Ų | 48.9 | 38% | 0.38 | 24% | 0.235 | S | C | . | . | trans | -83.9 | 90 | -166.3 | -142.1 | 48.5 | 0 | 0 | 0 | 113.1 | K574 | H537-K574 VanDerWaalsContact CE1-CG 3.46Å; H537-K574 WeakPolarHBondContact CE1-CG 3.49Å | ||
| 538 | F | 66.2 | Low | 76.9 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 19% | 0.193 | 25% | 0.254 | C | S | . | . | trans | -68.8 | 128.3 | 173.9 | -140.9 | -85.7 | 0 | 0 | 0 | 110.6 | L396 E536 L542 L543 I546 F558 | L396-F538 HydrophobicContact CD1-CE2 4.08Å; L396-F538 HydrophobicContact CD1-CZ 3.59Å; E536-F538 PolarHBondContact O-N 2.79Å; F538-L542 HydrophobicContact CD1-CB 4.02Å; F538-L542 HydrophobicContact CE1-CB 3.66Å; F538-L542 HydrophobicContact CZ-CB 4.42Å; F538-L543 HydrophobicContact CD1-CD2 3.8Å; F538-L543 HydrophobicContact CD1-CG 3.92Å; F538-L543 HydrophobicContact CE1-CD2 3.87Å; F538-L543 HydrophobicContact CE1-CG 4.26Å; F538-I546 HydrophobicContact CE1-CD1 3.82Å; F538-I546 HydrophobicContact CZ-CD1 3.64Å; F538-F558 HydrophobicContact CD2-CE1 4.43Å; F538-F558 HydrophobicContact CE1-CE1 4.11Å; F538-F558 AromaticContact CE2-CE1 3.84Å; F538-F558 HydrophobicContact CE2-CE1 3.84Å; F538-F558 HydrophobicContact CE2-CZ 4.1Å; F538-F558 AromaticContact CZ-CE1 3.64Å; F538-F558 HydrophobicContact CZ-CE1 3.64Å; F538-F558 AromaticContact CZ-CZ 3.89Å; F538-F558 HydrophobicContact CZ-CZ 3.89Å | ||
| 539 | S | 70.2 | Confident | 77.3 | Confident | 27 Ų | 27 | 45 Ų | 45 | 19% | 0.189 | 23% | 0.227 | C | C | . | . | trans | -83.2 | 153 | -177.1 | 73.4 | 0 | 0 | 0 | 0 | 112.6 | D541 L542 L543 | S539-D541 PolarHBondContact O-N 3.5Å; S539-L542 PolarHBondContact O-N 3.46Å; S539-L542 WeakPolarHBondContact OG-CB 3.3Å; S539-L542 VanDerWaalsContact OG-CG 3.26Å; S539-L542 WeakPolarHBondContact OG-CG 3.45Å; S539-L542 PolarHBondContact OG-N 3.17Å; S539-L542 VanDerWaalsContact OG-N 3.08Å; S539-L543 PolarHBondContact O-N 3.21Å | ||
| 540 | N | 72.7 | Confident | 77.7 | Confident | 112 Ų | 112 | 52.9 Ų | 52.9 | 60% | 0.599 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62 | -32 | 172.1 | -71.8 | -9.5 | 0 | 0 | 0 | 111.5 | L543 A544 | N540-L543 PolarHBondContact O-N 2.86Å; N540-A544 WeakPolarHBondContact O-CB 3.35Å; N540-A544 PolarHBondContact O-N 3.27Å |
| 541 | D | 81 | Confident | 77.9 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 16% | 0.155 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 176.1 | -52.6 | -65.8 | 0 | 0 | 0 | 111.1 | A367 T372 S539 A544 V545 | A367-D541 HydrophobicContact CB-CB 3.9Å; T372-D541 WeakPolarHBondContact CB-OD1 3.23Å; T372-D541 PolarHBondContact N-OD2 2.92Å; T372-D541 PolarHBondContact OG1-OD1 2.79Å; S539-D541 PolarHBondContact O-N 3.5Å; D541-A544 WeakPolarHBondContact O-CB 3.3Å; D541-A544 PolarHBondContact O-N 3.44Å; D541-V545 WeakPolarHBondContact O-CG2 3.4Å; D541-V545 PolarHBondContact O-N 2.86Å |
| 542 | L | 82.6 | Confident | 78.2 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.4 | -38 | 174.4 | -71.9 | 170.6 | 0 | 0 | 0 | 112.4 | A367 L368 L396 F538 S539 A544 V545 I546 | A367-L542 HydrophobicContact CB-CD2 3.95Å; A367-L542 HydrophobicContact CB-CG 4.32Å; L368-L542 HydrophobicContact CD2-CD2 4.24Å; L396-L542 HydrophobicContact CB-CD1 4.29Å; L396-L542 HydrophobicContact CD2-CD2 4.11Å; F538-L542 HydrophobicContact CD1-CB 4.02Å; F538-L542 HydrophobicContact CE1-CB 3.66Å; F538-L542 HydrophobicContact CZ-CB 4.42Å; S539-L542 PolarHBondContact O-N 3.46Å; S539-L542 WeakPolarHBondContact OG-CB 3.3Å; S539-L542 VanDerWaalsContact OG-CG 3.26Å; S539-L542 WeakPolarHBondContact OG-CG 3.45Å; S539-L542 PolarHBondContact OG-N 3.17Å; S539-L542 VanDerWaalsContact OG-N 3.08Å; L542-A544 VanDerWaalsContact C-N 3.32Å; L542-A544 PolarHBondContact O-N 2.97Å; L542-V545 PolarHBondContact O-N 3.21Å; L542-I546 WeakPolarHBondContact O-CG1 3.45Å; L542-I546 PolarHBondContact O-N 2.86Å |
| 543 | L | 82.3 | Confident | 79.1 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 171.9 | -69.2 | 176.9 | 0 | 0 | 0 | 111.9 | F538 S539 N540 I546 R547 F558 E561 L562 | F538-L543 HydrophobicContact CD1-CD2 3.8Å; F538-L543 HydrophobicContact CD1-CG 3.92Å; F538-L543 HydrophobicContact CE1-CD2 3.87Å; F538-L543 HydrophobicContact CE1-CG 4.26Å; S539-L543 PolarHBondContact O-N 3.21Å; N540-L543 PolarHBondContact O-N 2.86Å; L543-I546 PolarHBondContact O-N 3.22Å; L543-R547 WeakPolarHBondContact O-CB 3.12Å; L543-R547 PolarHBondContact O-N 2.87Å; L543-F558 HydrophobicContact CD2-CD1 4.01Å; L543-E561 HydrophobicContact CD1-CB 4.26Å; L543-E561 HydrophobicContact CD2-CB 4.17Å; L543-L562 HydrophobicContact CB-CD2 4.42Å |
| 544 | A | 82.2 | Confident | 79.8 | Confident | 53 Ų | 53 | 47.5 Ų | 47.5 | 44% | 0.438 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.8 | -36 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N540 D541 L542 C548 | N540-A544 WeakPolarHBondContact O-CB 3.35Å; N540-A544 PolarHBondContact O-N 3.27Å; D541-A544 WeakPolarHBondContact O-CB 3.3Å; D541-A544 PolarHBondContact O-N 3.44Å; L542-A544 VanDerWaalsContact C-N 3.32Å; L542-A544 PolarHBondContact O-N 2.97Å; A544-C548 PolarHBondContact O-N 3.36Å; A544-C548 PolarHBondContact O-SG 3.12Å |
| 545 | V | 85.7 | Confident | 80.1 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.055 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -49.6 | 170.1 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | V359 K363 L364 A367 D541 L542 R547 C548 | V359-V545 HydrophobicContact CB-CG1 3.87Å; V359-V545 HydrophobicContact CG1-CG1 3.94Å; V359-V545 HydrophobicContact CG2-CG1 3.97Å; K363-V545 HydrophobicContact CB-CG2 3.94Å; K363-V545 WeakPolarHBondContact O-CG2 3.27Å; L364-V545 HydrophobicContact CB-CG1 4.34Å; L364-V545 HydrophobicContact CD1-CG1 4.23Å; A367-V545 HydrophobicContact CB-CG2 3.67Å; D541-V545 WeakPolarHBondContact O-CG2 3.4Å; D541-V545 PolarHBondContact O-N 2.86Å; L542-V545 PolarHBondContact O-N 3.21Å; V545-R547 VanDerWaalsContact C-N 3.33Å; V545-R547 PolarHBondContact O-N 2.93Å; V545-C548 WeakPolarHBondContact O-CB 3.34Å; V545-C548 PolarHBondContact O-N 2.92Å |
| 546 | I | 85.5 | Confident | 80.8 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 178 | -76.7 | 176.3 | 0 | 0 | 0 | 111.9 | L396 F538 L542 L543 C548 S549 L554 F558 L562 | L396-I546 HydrophobicContact CD1-CD1 4.28Å; F538-I546 HydrophobicContact CE1-CD1 3.82Å; F538-I546 HydrophobicContact CZ-CD1 3.64Å; L542-I546 WeakPolarHBondContact O-CG1 3.45Å; L542-I546 PolarHBondContact O-N 2.86Å; L543-I546 PolarHBondContact O-N 3.22Å; I546-C548 PolarHBondContact O-N 3.49Å; I546-C548 VanDerWaalsContact O-N 3.14Å; I546-S549 VanDerWaalsContact O-CB 3.3Å; I546-S549 WeakPolarHBondContact O-CB 3.27Å; I546-S549 PolarHBondContact O-N 3.39Å; I546-L554 HydrophobicContact CD1-CD1 4.34Å; I546-L554 HydrophobicContact CG1-CD1 4.36Å; I546-L554 HydrophobicContact CG1-CD2 4.41Å; I546-L554 HydrophobicContact CG1-CG 4.45Å; I546-L554 HydrophobicContact CG2-CD1 4.46Å; I546-L554 HydrophobicContact CG2-CG 4.22Å; I546-F558 HydrophobicContact CD1-CD1 4.47Å; I546-F558 HydrophobicContact CD1-CD2 4.02Å; I546-F558 HydrophobicContact CD1-CE1 4.29Å; I546-F558 HydrophobicContact CD1-CE2 3.85Å; I546-F558 HydrophobicContact CD1-CG 4.35Å; I546-F558 HydrophobicContact CD1-CZ 3.98Å; I546-F558 HydrophobicContact CG2-CB 4.2Å; I546-F558 HydrophobicContact CG2-CD2 4.03Å; I546-F558 HydrophobicContact CG2-CG 4.22Å; I546-L562 HydrophobicContact CG2-CD1 4.39Å |
| 547 | R | 83.8 | Confident | 81.7 | Confident | 117 Ų | 117 | 51 Ų | 51 | 44% | 0.442 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.9 | -20.8 | 175.5 | -160.3 | 175.3 | -172.2 | 153.6 | 0.7 | 113.5 | L543 V545 L562 T565 N566 | L543-R547 WeakPolarHBondContact O-CB 3.12Å; L543-R547 PolarHBondContact O-N 2.87Å; V545-R547 VanDerWaalsContact C-N 3.33Å; V545-R547 PolarHBondContact O-N 2.93Å; R547-L562 HydrophobicContact CB-CD2 3.75Å; R547-L562 HydrophobicContact CG-CD2 4Å; R547-T565 PolarHBondContact NH1-OG1 2.82Å; R547-N566 PolarHBondContact NH2-OD1 3.11Å |
| 548 | C | 84.3 | Confident | 82.7 | Confident | 61 Ų | 61 | 47.3 Ų | 47.3 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -1.3 | 176.8 | -61.6 | 0 | 0 | 0 | 0 | 113.8 | A544 V545 I546 | A544-C548 PolarHBondContact O-N 3.36Å; A544-C548 PolarHBondContact O-SG 3.12Å; V545-C548 WeakPolarHBondContact O-CB 3.34Å; V545-C548 PolarHBondContact O-N 2.92Å; I546-C548 PolarHBondContact O-N 3.49Å; I546-C548 VanDerWaalsContact O-N 3.14Å |
| 549 | S | 87.8 | Confident | 83.4 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | trans | -67.9 | 143.5 | -180 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | L357 Q358 I546 L551 | L357-S549 PolarHBondContact O-OG 2.84Å; Q358-S549 WeakPolarHBondContact O-CA 3.3Å; I546-S549 VanDerWaalsContact O-CB 3.3Å; I546-S549 WeakPolarHBondContact O-CB 3.27Å; I546-S549 PolarHBondContact O-N 3.39Å; S549-L551 WeakPolarHBondContact OG-CB 3.23Å; S549-L551 PolarHBondContact OG-N 2.83Å | ||
| 550 | K | 85.5 | Confident | 83.4 | Confident | 168 Ų | 168 | 50.4 Ų | 50.4 | 73% | 0.73 | 27% | 0.272 | S | S | * | . | trans | -88.6 | -8 | 169.2 | -62.5 | 176.9 | -177.7 | 175.9 | 0 | 113.7 | Q358 P552 | Q358-K550 HydrophobicContact CB-CB 3.96Å; Q358-K550 PolarHBondContact O-N 3Å; Q358-K550 VanDerWaalsContact O-N 3.15Å; K550-P552 VanDerWaalsContact O-CD 3.28Å; K550-P552 WeakPolarHBondContact O-CD 3.32Å | ||
| 551 | L | 86.2 | Confident | 83.4 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | trans | -78 | 112 | 179.2 | -164.7 | 87.7 | 0 | 0 | 0 | 110 | L319 S549 M553 L554 | L319-L551 HydrophobicContact CD2-CD2 3.93Å; L319-L551 HydrophobicContact CG-CD2 4.1Å; S549-L551 WeakPolarHBondContact OG-CB 3.23Å; S549-L551 PolarHBondContact OG-N 2.83Å; L551-M553 VanDerWaalsContact C-N 3.29Å; L551-M553 PolarHBondContact O-N 2.97Å; L551-L554 HydrophobicContact CB-CB 4.14Å; L551-L554 HydrophobicContact CD2-CB 4.01Å; L551-L554 PolarHBondContact O-N 2.96Å; L551-L554 VanDerWaalsContact O-N 3.07Å | ||
| 552 | P | 85.3 | Confident | 83 | Confident | 104 Ų | 104 | 46.6 Ų | 46.6 | 68% | 0.675 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -61.1 | -37.2 | -170.7 | -25.2 | 35.6 | 0 | 0 | 0 | 113.5 | K550 L554 Y555 S556 | K550-P552 VanDerWaalsContact O-CD 3.28Å; K550-P552 WeakPolarHBondContact O-CD 3.32Å; P552-L554 PolarHBondContact O-N 3.45Å; P552-Y555 PolarHBondContact O-N 2.98Å; P552-S556 PolarHBondContact O-N 3.03Å |
| 553 | M | 88.2 | Confident | 82.3 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 177.9 | -169.5 | 177.5 | -174.1 | 0 | 0 | 111.9 | I316 L319 L404 L551 Y555 S556 L557 | I316-M553 HydrophobicContact CG1-CE 3.75Å; I316-M553 HydrophobicContact CG1-SD 3.99Å; L319-M553 HydrophobicContact CD1-CE 4.42Å; L319-M553 HydrophobicContact CD1-CG 4.12Å; L319-M553 HydrophobicContact CD1-SD 3.79Å; L404-M553 HydrophobicContact CD1-CE 3.49Å; L404-M553 VanDerWaalsContact CD1-CE 3.49Å; L404-M553 HydrophobicContact CD1-SD 4.41Å; L551-M553 VanDerWaalsContact C-N 3.29Å; L551-M553 PolarHBondContact O-N 2.97Å; M553-Y555 VanDerWaalsContact C-N 3.3Å; M553-Y555 PolarHBondContact O-N 3.07Å; M553-S556 PolarHBondContact O-N 2.84Å; M553-S556 VanDerWaalsContact O-N 3.1Å; M553-S556 PolarHBondContact O-OG 3.39Å; M553-L557 HydrophobicContact CE-CD2 4.46Å; M553-L557 HydrophobicContact CG-CG 4.48Å; M553-L557 WeakPolarHBondContact O-CG 3.47Å; M553-L557 PolarHBondContact O-N 2.98Å; M553-L557 VanDerWaalsContact O-N 3.12Å |
| 554 | L | 87.9 | Confident | 81.1 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.1 | -35.7 | -178.1 | -177.4 | 55.4 | 0 | 0 | 0 | 112 | L319 L357 L400 I546 L551 P552 F558 | L319-L554 HydrophobicContact CD2-CB 4.41Å; L319-L554 HydrophobicContact CD2-CD1 4.1Å; L357-L554 HydrophobicContact CB-CD2 4.15Å; L357-L554 HydrophobicContact CD2-CD2 4.09Å; L400-L554 HydrophobicContact CD2-CD1 3.51Å; I546-L554 HydrophobicContact CD1-CD1 4.34Å; I546-L554 HydrophobicContact CG1-CD1 4.36Å; I546-L554 HydrophobicContact CG1-CD2 4.41Å; I546-L554 HydrophobicContact CG1-CG 4.45Å; I546-L554 HydrophobicContact CG2-CD1 4.46Å; I546-L554 HydrophobicContact CG2-CG 4.22Å; L551-L554 HydrophobicContact CB-CB 4.14Å; L551-L554 HydrophobicContact CD2-CB 4.01Å; L551-L554 PolarHBondContact O-N 2.96Å; L551-L554 VanDerWaalsContact O-N 3.07Å; P552-L554 PolarHBondContact O-N 3.45Å; L554-F558 HydrophobicContact CD1-CD2 4.22Å; L554-F558 HydrophobicContact CD1-CE2 3.96Å |
| 555 | Y | 84.6 | Confident | 79.7 | Confident | 108 Ų | 108 | 56.6 Ų | 56.6 | 42% | 0.424 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 172.6 | -174.5 | -87.6 | 0 | 0 | 0 | 111.7 | P552 M553 L557 F558 A559 L562 | P552-Y555 PolarHBondContact O-N 2.98Å; M553-Y555 VanDerWaalsContact C-N 3.3Å; M553-Y555 PolarHBondContact O-N 3.07Å; Y555-L557 VanDerWaalsContact C-N 3.33Å; Y555-L557 PolarHBondContact O-N 3.06Å; Y555-F558 PolarHBondContact O-N 3.3Å; Y555-A559 PolarHBondContact O-N 2.96Å; Y555-L562 HydrophobicContact CD2-CD1 3.79Å; Y555-L562 HydrophobicContact CE2-CD1 3.75Å; Y555-L562 HydrophobicContact CG-CD1 4.39Å |
| 556 | S | 84.3 | Confident | 77.8 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 47% | 0.469 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.2 | -34.7 | -178.3 | 66.3 | 0 | 0 | 0 | 0 | 113.7 | P552 M553 F558 A559 | P552-S556 PolarHBondContact O-N 3.03Å; M553-S556 PolarHBondContact O-N 2.84Å; M553-S556 VanDerWaalsContact O-N 3.1Å; M553-S556 PolarHBondContact O-OG 3.39Å; S556-F558 PolarHBondContact O-N 3.3Å; S556-A559 PolarHBondContact O-N 2.93Å |
| 557 | L | 86.6 | Confident | 75.5 | Confident | 10 Ų | 10 | 68.6 Ų | 68.6 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.4 | 179.1 | -69.1 | -179 | 0 | 0 | 0 | 114.7 | L319 R403 C407 M553 Y555 | L319-L557 HydrophobicContact CD1-CD1 3.68Å; R403-L557 HydrophobicContact CB-CB 4.03Å; R403-L557 HydrophobicContact CB-CD2 4.15Å; R403-L557 HydrophobicContact CB-CG 4.47Å; R403-L557 PolarHBondContact NH1-O 3.45Å; R403-L557 WeakPolarHBondContact O-CD2 3.42Å; C407-L557 HydrophobicContact CB-CD2 3.36Å; M553-L557 HydrophobicContact CE-CD2 4.46Å; M553-L557 HydrophobicContact CG-CG 4.48Å; M553-L557 WeakPolarHBondContact O-CG 3.47Å; M553-L557 PolarHBondContact O-N 2.98Å; M553-L557 VanDerWaalsContact O-N 3.12Å; Y555-L557 VanDerWaalsContact C-N 3.33Å; Y555-L557 PolarHBondContact O-N 3.06Å |
| 558 | F | 85 | Confident | 73.4 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 14.9 | -177.1 | -64.9 | -92.9 | 0 | 0 | 0 | 113 | L400 R403 F538 L543 I546 L554 Y555 S556 N560 E561 L562 | L400-F558 HydrophobicContact CD2-CE2 4.06Å; L400-F558 HydrophobicContact CD2-CZ 4.32Å; R403-F558 HydrophobicContact CG-CE1 4.39Å; R403-F558 HydrophobicContact CG-CZ 4.28Å; F538-F558 HydrophobicContact CD2-CE1 4.43Å; F538-F558 HydrophobicContact CE1-CE1 4.11Å; F538-F558 AromaticContact CE2-CE1 3.84Å; F538-F558 HydrophobicContact CE2-CE1 3.84Å; F538-F558 HydrophobicContact CE2-CZ 4.1Å; F538-F558 AromaticContact CZ-CE1 3.64Å; F538-F558 HydrophobicContact CZ-CE1 3.64Å; F538-F558 AromaticContact CZ-CZ 3.89Å; F538-F558 HydrophobicContact CZ-CZ 3.89Å; L543-F558 HydrophobicContact CD2-CD1 4.01Å; I546-F558 HydrophobicContact CD1-CD1 4.47Å; I546-F558 HydrophobicContact CD1-CD2 4.02Å; I546-F558 HydrophobicContact CD1-CE1 4.29Å; I546-F558 HydrophobicContact CD1-CE2 3.85Å; I546-F558 HydrophobicContact CD1-CG 4.35Å; I546-F558 HydrophobicContact CD1-CZ 3.98Å; I546-F558 HydrophobicContact CG2-CB 4.2Å; I546-F558 HydrophobicContact CG2-CD2 4.03Å; I546-F558 HydrophobicContact CG2-CG 4.22Å; L554-F558 HydrophobicContact CD1-CD2 4.22Å; L554-F558 HydrophobicContact CD1-CE2 3.96Å; Y555-F558 PolarHBondContact O-N 3.3Å; S556-F558 PolarHBondContact O-N 3.3Å; F558-N560 VanDerWaalsContact C-N 3.28Å; F558-N560 PolarHBondContact O-N 2.92Å; F558-E561 PolarHBondContact O-N 2.88Å; F558-L562 HydrophobicContact CB-CD1 4.16Å; F558-L562 HydrophobicContact CB-CG 4.23Å; F558-L562 WeakPolarHBondContact O-CB 3.43Å; F558-L562 VanDerWaalsContact O-CG 3.25Å; F558-L562 WeakPolarHBondContact O-CG 3.28Å; F558-L562 PolarHBondContact O-N 2.89Å |
| 559 | A | 78.9 | Confident | 71.2 | Confident | 22 Ų | 22 | 68.8 Ų | 68.8 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.7 | -38.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y555 S556 Q563 | Y555-A559 PolarHBondContact O-N 2.96Å; S556-A559 PolarHBondContact O-N 2.93Å; A559-Q563 WeakPolarHBondContact O-CB 3.4Å; A559-Q563 VanDerWaalsContact O-CG 3.26Å; A559-Q563 WeakPolarHBondContact O-CG 3.31Å; A559-Q563 PolarHBondContact O-N 3.23Å |
| 560 | N | 72 | Confident | 68.9 | Low | 114 Ų | 114 | 77.6 Ų | 77.6 | 61% | 0.61 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.8 | -43.3 | 179.8 | -65.5 | -26.1 | 0 | 0 | 0 | 112 | F558 S564 | F558-N560 VanDerWaalsContact C-N 3.28Å; F558-N560 PolarHBondContact O-N 2.92Å; N560-S564 WeakPolarHBondContact O-CB 3.38Å; N560-S564 PolarHBondContact O-N 3.11Å; N560-S564 VanDerWaalsContact O-N 3.07Å; N560-S564 PolarHBondContact O-OG 3.27Å |
| 561 | E | 72.5 | Confident | 66.7 | Low | 57 Ų | 57 | 80 Ų | 80 | 27% | 0.266 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.4 | -46 | 177.4 | -68.6 | 64.5 | -146.1 | 0 | 0 | 110.5 | R403 L543 F558 Q563 S564 T565 | R403-E561 IonicContact CZ-OE1 3.42Å; R403-E561 IonicContact CZ-OE2 2.73Å; R403-E561 VanDerWaalsContact NH1-CD 3.32Å; R403-E561 IonicContact NH1-OE1 2.68Å; R403-E561 PolarHBondContact NH1-OE1 3.4Å; R403-E561 IonicContact NH1-OE2 2.8Å; R403-E561 PolarHBondContact NH1-OE2 3.41Å; R403-E561 VanDerWaalsContact NH2-CD 3.26Å; R403-E561 IonicContact NH2-OE1 3.3Å; R403-E561 PolarHBondContact NH2-OE1 3.31Å; R403-E561 IonicContact NH2-OE2 3.29Å; L543-E561 HydrophobicContact CD1-CB 4.26Å; L543-E561 HydrophobicContact CD2-CB 4.17Å; F558-E561 PolarHBondContact O-N 2.88Å; E561-Q563 VanDerWaalsContact C-N 3.32Å; E561-Q563 PolarHBondContact O-N 3.05Å; E561-S564 WeakPolarHBondContact O-CB 3.43Å; E561-S564 PolarHBondContact O-N 3.04Å; E561-S564 VanDerWaalsContact O-N 3.07Å; E561-T565 WeakPolarHBondContact O-CG2 3.24Å; E561-T565 PolarHBondContact O-N 3.43Å |
| 562 | L | 72.4 | Confident | 64.8 | Low | 3 Ų | 3 | 86 Ų | 86 | 2% | 0.016 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -60.4 | -40.2 | -179.9 | -69.5 | 173.5 | 0 | 0 | 0 | 112 | L543 I546 R547 Y555 F558 T565 | L543-L562 HydrophobicContact CB-CD2 4.42Å; I546-L562 HydrophobicContact CG2-CD1 4.39Å; R547-L562 HydrophobicContact CB-CD2 3.75Å; R547-L562 HydrophobicContact CG-CD2 4Å; Y555-L562 HydrophobicContact CD2-CD1 3.79Å; Y555-L562 HydrophobicContact CE2-CD1 3.75Å; Y555-L562 HydrophobicContact CG-CD1 4.39Å; F558-L562 HydrophobicContact CB-CD1 4.16Å; F558-L562 HydrophobicContact CB-CG 4.23Å; F558-L562 WeakPolarHBondContact O-CB 3.43Å; F558-L562 VanDerWaalsContact O-CG 3.25Å; F558-L562 WeakPolarHBondContact O-CG 3.28Å; F558-L562 PolarHBondContact O-N 2.89Å; L562-T565 PolarHBondContact O-OG1 2.92Å |
| 563 | Q | 67.2 | Low | 63 | Low | 133 Ų | 133 | 88.1 Ų | 88.1 | 62% | 0.621 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.8 | -39.3 | 172.9 | -71.4 | 174.2 | 28.7 | 0 | 0 | 112.2 | A559 E561 T565 N566 | A559-Q563 WeakPolarHBondContact O-CB 3.4Å; A559-Q563 VanDerWaalsContact O-CG 3.26Å; A559-Q563 WeakPolarHBondContact O-CG 3.31Å; A559-Q563 PolarHBondContact O-N 3.23Å; E561-Q563 VanDerWaalsContact C-N 3.32Å; E561-Q563 PolarHBondContact O-N 3.05Å; Q563-T565 PolarHBondContact O-N 2.93Å; Q563-N566 PolarHBondContact O-N 3.33Å |
| 564 | S | 58.4 | Low | 61.5 | Low | 87 Ų | 87 | 91 Ų | 91 | 61% | 0.608 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.2 | -17 | 179.6 | -59.8 | 0 | 0 | 0 | 0 | 114.2 | N560 E561 N566 | N560-S564 WeakPolarHBondContact O-CB 3.38Å; N560-S564 PolarHBondContact O-N 3.11Å; N560-S564 VanDerWaalsContact O-N 3.07Å; N560-S564 PolarHBondContact O-OG 3.27Å; E561-S564 WeakPolarHBondContact O-CB 3.43Å; E561-S564 PolarHBondContact O-N 3.04Å; E561-S564 VanDerWaalsContact O-N 3.07Å; S564-N566 VanDerWaalsContact C-N 3.26Å; S564-N566 PolarHBondContact O-N 3.27Å |
| 565 | T | 52.1 | Low | 60.3 | Low | 65 Ų | 65 | 94.2 Ų | 94.2 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -13.8 | 179.6 | 61.7 | 0 | 0 | 0 | 0 | 115.3 | R547 E561 L562 Q563 | R547-T565 PolarHBondContact NH1-OG1 2.82Å; E561-T565 WeakPolarHBondContact O-CG2 3.24Å; E561-T565 PolarHBondContact O-N 3.43Å; L562-T565 PolarHBondContact O-OG1 2.92Å; Q563-T565 PolarHBondContact O-N 2.93Å |
| 566 | N | 45.8 | Very low | 59.8 | Low | 129 Ų | 129 | 89.3 Ų | 89.3 | 69% | 0.69 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -10.8 | -174 | -87.3 | 37.5 | 0 | 0 | 0 | 114.5 | R547 Q563 S564 | R547-N566 PolarHBondContact NH2-OD1 3.11Å; Q563-N566 PolarHBondContact O-N 3.33Å; S564-N566 VanDerWaalsContact C-N 3.26Å; S564-N566 PolarHBondContact O-N 3.27Å |
| 567 | D | 37.5 | Very low | 59.1 | Low | 137 Ų | 137 | 87.5 Ų | 87.5 | 73% | 0.733 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -114.7 | 132.3 | -172.3 | -142.5 | -18.2 | 0 | 0 | 0 | 111.8 | S569 | D567-S569 PolarHBondContact O-N 3.32Š|
| 568 | G | 39.8 | Very low | 58.7 | Low | 81 Ų | 81 | 87.4 Ų | 87.4 | 84% | 0.835 | 48% | 0.477 | S | S | * | . | trans | -73.2 | 22.9 | -164 | 0 | 0 | 0 | 0 | 0 | 116.7 | R570 | G568-R570 PolarHBondContact O-N 3.35Š| ||
| 569 | S | 37.7 | Very low | 58.3 | Low | 102 Ų | 102 | 88.8 Ų | 88.8 | 71% | 0.713 | 49% | 0.488 | S | S | * | . | trans | -80.1 | 110.2 | -170.1 | -166.6 | 0 | 0 | 0 | 0 | 112.7 | D567 R571 | D567-S569 PolarHBondContact O-N 3.32Å; S569-R571 PolarHBondContact O-N 3.08Å | ||
| 570 | R | 38.9 | Very low | 58 | Low | 202 Ų | 202 | 90.7 Ų | 90.7 | 76% | 0.762 | 49% | 0.493 | S | S | * | . | trans | -75.3 | 33.2 | -163.7 | -139.7 | 177.1 | -147.8 | 122.3 | 14 | 115.9 | G568 | G568-R570 PolarHBondContact O-N 3.35Š| ||
| 571 | R | 40.6 | Very low | 58.1 | Low | 218 Ų | 218 | 89.2 Ų | 89.2 | 82% | 0.823 | 48% | 0.481 | S | S | * | . | trans | -140.4 | 47.4 | -171.7 | -73.9 | -170.3 | 173.1 | 170.3 | -1.5 | 115.5 | S569 L573 | S569-R571 PolarHBondContact O-N 3.08Å; R571-L573 PolarHBondContact O-N 3.43Å | ||
| 572 | T | 46.3 | Very low | 58.3 | Low | 138 Ų | 138 | 91.4 Ų | 91.4 | 85% | 0.847 | 49% | 0.487 | S | S | * | . | trans | -69.9 | 73.8 | 154.6 | 40.4 | 0 | 0 | 0 | 0 | 110.1 | K574 | T572-K574 PolarHBondContact O-N 3.12Š| ||
| 573 | L | 46.6 | Very low | 58.4 | Low | 147 Ų | 147 | 97.3 Ų | 97.3 | 77% | 0.77 | 51% | 0.512 | S | S | * | . | trans | -52 | 126.8 | 171.5 | -84.4 | 163 | 0 | 0 | 0 | 109.1 | R571 V575 | R571-L573 PolarHBondContact O-N 3.43Å; L573-V575 WeakPolarHBondContact O-CG2 3.39Å; L573-V575 PolarHBondContact O-N 3.36Å | ||
| 574 | K | 55.7 | Low | 58.6 | Low | 84 Ų | 84 | 92.9 Ų | 92.9 | 37% | 0.365 | 50% | 0.496 | S | S | . | . | trans | -59.6 | 105.1 | -175.7 | -55.9 | -165.7 | -177.3 | 172.5 | 0 | 109.6 | I480 H537 T572 T576 | I480-K574 HydrophobicContact CB-CD 4.43Å; I480-K574 HydrophobicContact CG1-CB 4.25Å; I480-K574 HydrophobicContact CG1-CD 4.16Å; I480-K574 HydrophobicContact CG2-CD 4.33Å; I480-K574 PolarHBondContact O-NZ 2.8Å; H537-K574 VanDerWaalsContact CE1-CG 3.46Å; H537-K574 WeakPolarHBondContact CE1-CG 3.49Å; T572-K574 PolarHBondContact O-N 3.12Å; K574-T576 PolarHBondContact O-N 3.34Å | ||
| 575 | V | 63.3 | Low | 59.2 | Low | 68 Ų | 68 | 92 Ų | 92 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | trans | -76.6 | 123.1 | -179 | -171.8 | 0 | 0 | 0 | 0 | 109.2 | L573 Q580 | L573-V575 WeakPolarHBondContact O-CG2 3.39Å; L573-V575 PolarHBondContact O-N 3.36Å; V575-Q580 HydrophobicContact CG1-CG 3.54Å | ||
| 576 | T | 73.5 | Confident | 60.3 | Low | 5 Ų | 5 | 92.9 Ų | 92.9 | 3% | 0.031 | 48% | 0.484 | C | S | . | . | B | Isolated β-bridge | trans | -101.7 | 164.1 | 175 | 59.9 | 0 | 0 | 0 | 0 | 111.2 | D476 C479 N534 K574 S579 Q580 | D476-T576 HydrophobicContact CB-CG2 4.38Å; D476-T576 WeakPolarHBondContact OD1-CB 3.4Å; D476-T576 WeakPolarHBondContact OD1-CG2 3.33Å; D476-T576 PolarHBondContact OD1-OG1 2.96Å; D476-T576 PolarHBondContact OD2-OG1 3.4Å; C479-T576 HydrophobicContact CB-CG2 3.99Å; N534-T576 WeakPolarHBondContact O-CA 3.12Å; K574-T576 PolarHBondContact O-N 3.34Å; T576-S579 PolarHBondContact O-N 3.1Å; T576-S579 VanDerWaalsContact OG1-CB 3.24Å; T576-S579 WeakPolarHBondContact OG1-CB 3.48Å; T576-S579 PolarHBondContact OG1-N 3.22Å; T576-Q580 PolarHBondContact O-N 3.46Å; T576-Q580 VanDerWaalsContact O-N 3.14Å |
| 577 | A | 71.1 | Confident | 61.7 | Low | 29 Ų | 29 | 89.7 Ų | 89.7 | 24% | 0.24 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N534 E536 Q580 F581 | N534-A577 PolarHBondContact O-N 3.5Å; N534-A577 VanDerWaalsContact O-N 3.1Å; N534-A577 WeakPolarHBondContact OD1-CB 3.49Å; N534-A577 PolarHBondContact OD1-N 3.04Å; N534-A577 VanDerWaalsContact OD1-N 3.11Å; E536-A577 HydrophobicContact CG-CB 4.29Å; A577-Q580 PolarHBondContact O-N 3.25Å; A577-F581 WeakPolarHBondContact O-CB 3.43Å; A577-F581 PolarHBondContact O-N 2.72Å |
| 578 | A | 77.2 | Confident | 63.3 | Low | 8 Ų | 8 | 83.7 Ų | 83.7 | 7% | 0.066 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F472 N534 F581 R582 | F472-A578 HydrophobicContact CB-CB 4.13Å; F472-A578 HydrophobicContact CD1-CB 4.4Å; F472-A578 HydrophobicContact CD2-CB 4.24Å; F472-A578 HydrophobicContact CG-CB 4.02Å; N534-A578 WeakPolarHBondContact OD1-CB 3.44Å; N534-A578 PolarHBondContact OD1-N 3.35Å; A578-F581 WeakPolarHBondContact O-CB 3.35Å; A578-F581 PolarHBondContact O-N 2.78Å; A578-R582 PolarHBondContact O-N 3.42Å |
| 579 | S | 76.4 | Confident | 64.9 | Low | 36 Ų | 36 | 82.9 Ų | 82.9 | 25% | 0.252 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 174.5 | -166.8 | 0 | 0 | 0 | 0 | 112.4 | T576 K583 | T576-S579 PolarHBondContact O-N 3.1Å; T576-S579 VanDerWaalsContact OG1-CB 3.24Å; T576-S579 WeakPolarHBondContact OG1-CB 3.48Å; T576-S579 PolarHBondContact OG1-N 3.22Å; S579-K583 WeakPolarHBondContact O-CG 3.38Å; S579-K583 PolarHBondContact O-N 3.01Å |
| 580 | Q | 73.7 | Confident | 66.6 | Low | 62 Ų | 62 | 81.4 Ų | 81.4 | 29% | 0.29 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67 | -44.4 | 172.3 | -69.3 | 177.1 | 37.3 | 0 | 0 | 111.9 | E536 V575 T576 A577 R582 K583 S584 | E536-Q580 PolarHBondContact OE2-NE2 3.03Å; E536-Q580 PolarHBondContact OE2-OE1 2.83Å; V575-Q580 HydrophobicContact CG1-CG 3.54Å; T576-Q580 PolarHBondContact O-N 3.46Å; T576-Q580 VanDerWaalsContact O-N 3.14Å; A577-Q580 PolarHBondContact O-N 3.25Å; Q580-R582 VanDerWaalsContact C-N 3.34Å; Q580-R582 PolarHBondContact O-N 3.39Å; Q580-K583 PolarHBondContact O-N 3.22Å; Q580-S584 WeakPolarHBondContact O-CB 3.49Å; Q580-S584 PolarHBondContact O-N 3.41Å; Q580-S584 PolarHBondContact O-OG 2.94Å |
| 581 | F | 74 | Confident | 68.2 | Low | 82 Ų | 82 | 73.9 Ų | 73.9 | 36% | 0.36 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -54.4 | -50.8 | 176.6 | -179.8 | -76 | 0 | 0 | 0 | 110.6 | L233 F472 A577 A578 S584 L585 | L233-F581 HydrophobicContact CD1-CD2 4.13Å; L233-F581 HydrophobicContact CD1-CE2 3.68Å; L233-F581 HydrophobicContact CD1-CZ 4.15Å; L233-F581 HydrophobicContact CD2-CB 4.26Å; L233-F581 HydrophobicContact CD2-CD2 3.53Å; L233-F581 HydrophobicContact CD2-CE2 3.99Å; L233-F581 HydrophobicContact CD2-CG 3.93Å; L233-F581 HydrophobicContact CG-CD2 4.34Å; L233-F581 HydrophobicContact CG-CE2 4.37Å; F472-F581 AromaticContact CE2-CD1 3.87Å; F472-F581 HydrophobicContact CE2-CD1 3.87Å; F472-F581 HydrophobicContact CE2-CE1 4.14Å; F472-F581 HydrophobicContact CZ-CD1 4.35Å; F472-F581 HydrophobicContact CZ-CE1 4.38Å; A577-F581 WeakPolarHBondContact O-CB 3.43Å; A577-F581 PolarHBondContact O-N 2.72Å; A578-F581 WeakPolarHBondContact O-CB 3.35Å; A578-F581 PolarHBondContact O-N 2.78Å; F581-S584 PolarHBondContact O-N 3.29Å; F581-L585 HydrophobicContact CE1-CD1 3.89Å; F581-L585 HydrophobicContact CZ-CD1 4.28Å; F581-L585 WeakPolarHBondContact O-CB 3.37Å; F581-L585 PolarHBondContact O-N 3.45Å |
| 582 | R | 75.4 | Confident | 69.8 | Low | 104 Ų | 104 | 64.8 Ų | 64.8 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | -177 | -145.3 | -170.6 | 85.8 | 168.6 | 7.7 | 112.1 | A578 Q580 S584 L585 E586 | A578-R582 PolarHBondContact O-N 3.42Å; Q580-R582 VanDerWaalsContact C-N 3.34Å; Q580-R582 PolarHBondContact O-N 3.39Å; R582-S584 VanDerWaalsContact C-N 3.33Å; R582-S584 PolarHBondContact O-N 3.09Å; R582-L585 PolarHBondContact O-N 3.24Å; R582-E586 IonicContact CZ-OE1 2.66Å; R582-E586 IonicContact NE-OE1 2.68Å; R582-E586 PolarHBondContact NE-OE1 3.02Å; R582-E586 IonicContact NH2-OE1 3.86Å; R582-E586 PolarHBondContact NH2-OE1 3.17Å; R582-E586 WeakPolarHBondContact O-CB 3.2Å; R582-E586 VanDerWaalsContact O-CG 3.3Å; R582-E586 WeakPolarHBondContact O-CG 3.33Å; R582-E586 PolarHBondContact O-N 3.43Å |
| 583 | K | 75.2 | Confident | 70.8 | Confident | 126 Ų | 126 | 64.9 Ų | 64.9 | 55% | 0.548 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 176.9 | -72.7 | 172.6 | 179.3 | 173.1 | 0 | 112.8 | S579 Q580 L585 S587 | S579-K583 WeakPolarHBondContact O-CG 3.38Å; S579-K583 PolarHBondContact O-N 3.01Å; Q580-K583 PolarHBondContact O-N 3.22Å; K583-L585 VanDerWaalsContact C-N 3.34Å; K583-S587 WeakPolarHBondContact O-CB 3.23Å; K583-S587 PolarHBondContact O-N 2.81Å |
| 584 | S | 71.3 | Confident | 72.1 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 28% | 0.28 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 178.1 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | Y232 Q580 F581 R582 L588 | Y232-S584 WeakPolarHBondContact CE1-O 3.49Å; Q580-S584 WeakPolarHBondContact O-CB 3.49Å; Q580-S584 PolarHBondContact O-N 3.41Å; Q580-S584 PolarHBondContact O-OG 2.94Å; F581-S584 PolarHBondContact O-N 3.29Å; R582-S584 VanDerWaalsContact C-N 3.33Å; R582-S584 PolarHBondContact O-N 3.09Å; S584-L588 WeakPolarHBondContact O-CB 3.48Å; S584-L588 PolarHBondContact O-N 2.61Å; S584-L588 VanDerWaalsContact O-N 3.07Å |
| 585 | L | 72.1 | Confident | 73.3 | Confident | 68 Ų | 68 | 61.6 Ų | 61.6 | 36% | 0.356 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.1 | -43.2 | 178.7 | -167.6 | 151.5 | 0 | 0 | 0 | 112 | F581 R582 K583 S587 L588 M589 | F581-L585 HydrophobicContact CE1-CD1 3.89Å; F581-L585 HydrophobicContact CZ-CD1 4.28Å; F581-L585 WeakPolarHBondContact O-CB 3.37Å; F581-L585 PolarHBondContact O-N 3.45Å; R582-L585 PolarHBondContact O-N 3.24Å; K583-L585 VanDerWaalsContact C-N 3.34Å; L585-S587 VanDerWaalsContact C-N 3.33Å; L585-S587 PolarHBondContact O-N 3.33Å; L585-L588 PolarHBondContact O-N 3.31Å; L585-M589 HydrophobicContact CD2-CG 3.91Å; L585-M589 WeakPolarHBondContact O-CG 3.22Å; L585-M589 PolarHBondContact O-N 2.89Å |
| 586 | E | 74 | Confident | 74.2 | Confident | 85 Ų | 85 | 61.4 Ų | 61.4 | 40% | 0.397 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.4 | -47.1 | 172.8 | -75.1 | 167.5 | -177.2 | 0 | 0 | 111.6 | R582 M589 C590 | R582-E586 IonicContact CZ-OE1 2.66Å; R582-E586 IonicContact NE-OE1 2.68Å; R582-E586 PolarHBondContact NE-OE1 3.02Å; R582-E586 IonicContact NH2-OE1 3.86Å; R582-E586 PolarHBondContact NH2-OE1 3.17Å; R582-E586 WeakPolarHBondContact O-CB 3.2Å; R582-E586 VanDerWaalsContact O-CG 3.3Å; R582-E586 WeakPolarHBondContact O-CG 3.33Å; R582-E586 PolarHBondContact O-N 3.43Å; E586-M589 PolarHBondContact O-N 2.99Å; E586-C590 WeakPolarHBondContact O-CB 3.11Å; E586-C590 PolarHBondContact O-N 3.03Å; E586-C590 VanDerWaalsContact O-N 3.08Å |
| 587 | S | 74.6 | Confident | 74.5 | Confident | 61 Ų | 61 | 63 Ų | 63 | 43% | 0.427 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | K583 L585 C590 Q591 | K583-S587 WeakPolarHBondContact O-CB 3.23Å; K583-S587 PolarHBondContact O-N 2.81Å; L585-S587 VanDerWaalsContact C-N 3.33Å; L585-S587 PolarHBondContact O-N 3.33Å; S587-C590 PolarHBondContact O-N 2.89Å; S587-Q591 PolarHBondContact O-N 2.94Å; S587-Q591 VanDerWaalsContact O-N 3.12Å |
| 588 | L | 71.9 | Confident | 75.2 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 179.3 | -176 | 59.8 | 0 | 0 | 0 | 112.2 | Y232 L432 I434 S584 L585 C590 Q591 L592 | Y232-L588 HydrophobicContact CD1-CB 4.37Å; Y232-L588 HydrophobicContact CD1-CD2 4.37Å; Y232-L588 HydrophobicContact CE1-CB 3.89Å; Y232-L588 HydrophobicContact CE1-CD1 4.32Å; Y232-L588 HydrophobicContact CE1-CG 4.48Å; Y232-L588 HydrophobicContact CE2-CD1 4.07Å; L432-L588 HydrophobicContact CD1-CD1 4.04Å; L432-L588 HydrophobicContact CD1-CD2 4.21Å; L432-L588 HydrophobicContact CD2-CD1 3.89Å; L432-L588 HydrophobicContact CD2-CD2 4.2Å; L432-L588 HydrophobicContact CD2-CG 4.21Å; I434-L588 HydrophobicContact CD1-CD2 4.26Å; I434-L588 HydrophobicContact CG2-CD2 4.32Å; S584-L588 WeakPolarHBondContact O-CB 3.48Å; S584-L588 PolarHBondContact O-N 2.61Å; S584-L588 VanDerWaalsContact O-N 3.07Å; L585-L588 PolarHBondContact O-N 3.31Å; L588-C590 VanDerWaalsContact C-N 3.34Å; L588-C590 PolarHBondContact O-N 3.07Å; L588-Q591 PolarHBondContact O-N 2.97Å; L588-L592 HydrophobicContact CG-CD1 4.41Å; L588-L592 WeakPolarHBondContact O-CG 3.29Å; L588-L592 PolarHBondContact O-N 3.14Å; L588-L592 VanDerWaalsContact O-N 3.16Å |
| 589 | M | 73.5 | Confident | 75.6 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 32% | 0.32 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 177.1 | -64.4 | -55.1 | 97.7 | 0 | 0 | 111 | I434 L585 E586 Q591 L592 D593 | I434-M589 HydrophobicContact CD1-CE 3.63Å; L585-M589 HydrophobicContact CD2-CG 3.91Å; L585-M589 WeakPolarHBondContact O-CG 3.22Å; L585-M589 PolarHBondContact O-N 2.89Å; E586-M589 PolarHBondContact O-N 2.99Å; M589-Q591 VanDerWaalsContact C-N 3.26Å; M589-Q591 PolarHBondContact O-N 3.05Å; M589-L592 HydrophobicContact CE-CD1 3.72Å; M589-L592 WeakPolarHBondContact O-CA 3.35Å; M589-L592 WeakPolarHBondContact O-CB 3.32Å; M589-L592 PolarHBondContact O-N 2.86Å; M589-L592 HydrophobicContact SD-CD1 4.41Å; M589-D593 PolarHBondContact O-N 3.18Å |
| 590 | C | 74.3 | Confident | 76.3 | Confident | 70 Ų | 70 | 61 Ų | 61 | 47% | 0.473 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.4 | -32.2 | 177.8 | -169.2 | 0 | 0 | 0 | 0 | 113.2 | E586 S587 L588 Q594 | E586-C590 WeakPolarHBondContact O-CB 3.11Å; E586-C590 PolarHBondContact O-N 3.03Å; E586-C590 VanDerWaalsContact O-N 3.08Å; S587-C590 PolarHBondContact O-N 2.89Å; L588-C590 VanDerWaalsContact C-N 3.34Å; L588-C590 PolarHBondContact O-N 3.07Å; C590-Q594 WeakPolarHBondContact O-CG 3.34Å; C590-Q594 PolarHBondContact O-NE2 2.82Å |
| 591 | Q | 72.1 | Confident | 77 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 21% | 0.21 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.5 | -30 | 171.1 | -73.1 | -160.8 | 58.4 | 0 | 0 | 113.3 | E230 Y232 S587 L588 M589 R595 | E230-Q591 PolarHBondContact OE2-NE2 2.7Å; Y232-Q591 PolarHBondContact OH-NE2 3.29Å; S587-Q591 PolarHBondContact O-N 2.94Å; S587-Q591 VanDerWaalsContact O-N 3.12Å; L588-Q591 PolarHBondContact O-N 2.97Å; M589-Q591 VanDerWaalsContact C-N 3.26Å; M589-Q591 PolarHBondContact O-N 3.05Å; Q591-R595 VanDerWaalsContact O-CD 3.22Å; Q591-R595 WeakPolarHBondContact O-CD 3.15Å; Q591-R595 WeakPolarHBondContact O-CG 3.24Å; Q591-R595 PolarHBondContact O-NE 3.1Å |
| 592 | L | 72.8 | Confident | 77.7 | Confident | 27 Ų | 27 | 55 Ų | 55 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -80.6 | -42.6 | -177.9 | -69.3 | 172.4 | 0 | 0 | 0 | 112.9 | C146 L432 I434 L588 M589 Q594 R595 | C146-L592 HydrophobicContact CB-CD2 3.78Å; C146-L592 WeakPolarHBondContact SG-CD2 3.21Å; L432-L592 HydrophobicContact CD2-CD1 3.61Å; L432-L592 HydrophobicContact CD2-CD2 3.76Å; L432-L592 HydrophobicContact CD2-CG 4.13Å; I434-L592 HydrophobicContact CD1-CD1 4Å; L588-L592 HydrophobicContact CG-CD1 4.41Å; L588-L592 WeakPolarHBondContact O-CG 3.29Å; L588-L592 PolarHBondContact O-N 3.14Å; L588-L592 VanDerWaalsContact O-N 3.16Å; M589-L592 HydrophobicContact CE-CD1 3.72Å; M589-L592 WeakPolarHBondContact O-CA 3.35Å; M589-L592 WeakPolarHBondContact O-CB 3.32Å; M589-L592 PolarHBondContact O-N 2.86Å; M589-L592 HydrophobicContact SD-CD1 4.41Å; L592-Q594 PolarHBondContact O-N 3.4Å; L592-Q594 VanDerWaalsContact O-N 3.11Å; L592-R595 PolarHBondContact O-N 3.11Å |
| 593 | D | 69.1 | Low | 78.4 | Confident | 139 Ų | 139 | 50.1 Ų | 50.1 | 74% | 0.743 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.9 | -23.1 | -178.4 | -68.1 | -31.4 | 0 | 0 | 0 | 113.1 | M589 | M589-D593 PolarHBondContact O-N 3.18Å |
| 594 | Q | 72.4 | Confident | 78.9 | Confident | 138 Ų | 138 | 44.2 Ų | 44.2 | 65% | 0.645 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -10.4 | 176.8 | -63.7 | 177.8 | 56.1 | 0 | 0 | 113.4 | C590 L592 | C590-Q594 WeakPolarHBondContact O-CG 3.34Å; C590-Q594 PolarHBondContact O-NE2 2.82Å; L592-Q594 PolarHBondContact O-N 3.4Å; L592-Q594 VanDerWaalsContact O-N 3.11Å |
| 595 | R | 82.3 | Confident | 79.8 | Confident | 24 Ų | 24 | 42.3 Ų | 42.3 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -111.3 | 158.1 | -172.9 | -65.2 | 174.7 | -179.1 | -114.4 | 10.7 | 111.2 | N144 C145 C146 Y213 D215 S428 Q591 L592 P597 | N144-R595 HydrophobicContact CB-CG 3.88Å; N144-R595 CarbonylContact O-C 3.53Å; N144-R595 VanDerWaalsContact O-CA 3.25Å; N144-R595 WeakPolarHBondContact O-CA 3.21Å; C145-R595 PolarHBondContact O-NH1 3.14Å; C146-R595 HydrophobicContact CB-CB 4.4Å; Y213-R595 WeakPolarHBondContact OH-CD 3.39Å; Y213-R595 PolarHBondContact OH-NE 3.39Å; Y213-R595 PolarHBondContact OH-NH1 2.62Å; Y213-R595 PolarHBondContact OH-NH2 3.29Å; D215-R595 VanDerWaalsContact CG-NH2 3.31Å; D215-R595 IonicContact OD1-CZ 3.68Å; D215-R595 IonicContact OD1-NH1 2.71Å; D215-R595 PolarHBondContact OD1-NH1 2.8Å; D215-R595 IonicContact OD1-NH2 3.47Å; D215-R595 IonicContact OD2-CZ 2.79Å; D215-R595 IonicContact OD2-NH1 3.95Å; D215-R595 PolarHBondContact OD2-NH1 3.39Å; D215-R595 IonicContact OD2-NH2 2.72Å; D215-R595 PolarHBondContact OD2-NH2 2.98Å; S428-R595 PolarHBondContact OG-NH1 3.46Å; S428-R595 VanDerWaalsContact OG-NH1 3.12Å; Q591-R595 VanDerWaalsContact O-CD 3.22Å; Q591-R595 WeakPolarHBondContact O-CD 3.15Å; Q591-R595 WeakPolarHBondContact O-CG 3.24Å; Q591-R595 PolarHBondContact O-NE 3.1Å; L592-R595 PolarHBondContact O-N 3.11Å; R595-P597 WeakPolarHBondContact O-CD 3.08Å |
| 596 | K | 81 | Confident | 80.5 | Confident | 64 Ų | 64 | 39.1 Ų | 39.1 | 28% | 0.278 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 114.3 | 169.9 | 171.2 | 59 | -167.1 | 146.2 | 0 | 109.9 | N144 C145 C146 F598 | N144-K596 PolarHBondContact O-N 3.33Å; C145-K596 CarbonylContact C-O 3.59Å; C145-K596 WeakPolarHBondContact CA-O 3.23Å; C146-K596 PolarHBondContact N-O 3.49Å; K596-F598 HydrophobicContact CG-CD2 4.43Å; K596-F598 HydrophobicContact CG-CE2 3.8Å; K596-F598 HydrophobicContact CG-CZ 4.4Å |
| 597 | P | 80.1 | Confident | 80.7 | Confident | 38 Ų | 38 | 38.7 Ų | 38.7 | 25% | 0.247 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 145.6 | 176.7 | 31.1 | -37 | 0 | 0 | 0 | 112.9 | C146 R595 F599 | C146-P597 CarbonylContact O-C 3.52Å; C146-P597 WeakPolarHBondContact O-CA 3.34Å; R595-P597 WeakPolarHBondContact O-CD 3.08Å; P597-F599 HydrophobicContact CB-CE1 4.44Å; P597-F599 HydrophobicContact CB-CE2 3.92Å; P597-F599 HydrophobicContact CB-CZ 3.8Å; P597-F599 HydrophobicContact CG-CE2 4.19Å; P597-F599 HydrophobicContact CG-CZ 4.26Å |
| 598 | F | 86.2 | Confident | 81.1 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.7 | 164.1 | -66.7 | -101 | 0 | 0 | 0 | 107.2 | I120 I130 A134 H137 C145 C146 I147 T148 K596 | I120-F598 HydrophobicContact CD1-CD1 4.16Å; I120-F598 HydrophobicContact CD1-CE1 3.97Å; I130-F598 HydrophobicContact CG2-CB 3.88Å; I130-F598 HydrophobicContact CG2-CD1 4.33Å; I130-F598 HydrophobicContact CG2-CG 4.45Å; A134-F598 HydrophobicContact CB-CD2 3.94Å; A134-F598 HydrophobicContact CB-CE2 3.86Å; A134-F598 HydrophobicContact CB-CG 4.45Å; A134-F598 HydrophobicContact CB-CZ 4.28Å; H137-F598 HydrophobicContact CB-CE2 4.49Å; H137-F598 HydrophobicContact CB-CZ 4.26Å; C145-F598 HydrophobicContact CB-CD2 4.49Å; C145-F598 HydrophobicContact CB-CE2 4.28Å; C146-F598 PolarHBondContact O-N 3.44Å; I147-F598 WeakPolarHBondContact CA-O 3.47Å; I147-F598 HydrophobicContact CG1-CB 4.31Å; T148-F598 PolarHBondContact N-O 2.73Å; K596-F598 HydrophobicContact CG-CD2 4.43Å; K596-F598 HydrophobicContact CG-CE2 3.8Å; K596-F598 HydrophobicContact CG-CZ 4.4Å |
| 599 | F | 85.8 | Confident | 81.4 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 7% | 0.066 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138.3 | -172.2 | -64.4 | -77.2 | 0 | 0 | 0 | 112.8 | I94 L95 T148 E438 P597 | I94-F599 HydrophobicContact CB-CB 4.47Å; I94-F599 HydrophobicContact CG1-CB 4.14Å; I94-F599 HydrophobicContact CG1-CD2 4.48Å; I94-F599 HydrophobicContact CG2-CB 3.98Å; L95-F599 PolarHBondContact N-O 3.39Å; T148-F599 HydrophobicContact CG2-CD1 4.2Å; T148-F599 HydrophobicContact CG2-CE1 4.28Å; T148-F599 WeakPolarHBondContact O-CA 3.2Å; E438-F599 HydrophobicContact CG-CE2 4.01Å; E438-F599 HydrophobicContact CG-CZ 4.24Å; P597-F599 HydrophobicContact CB-CE1 4.44Å; P597-F599 HydrophobicContact CB-CE2 3.92Å; P597-F599 HydrophobicContact CB-CZ 3.8Å; P597-F599 HydrophobicContact CG-CE2 4.19Å; P597-F599 HydrophobicContact CG-CZ 4.26Å |
| 600 | V | 90.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 122.5 | 170.2 | -168.5 | 0 | 0 | 0 | 0 | 109.8 | L95 I127 I130 I147 T148 I149 S150 T160 | L95-V600 HydrophobicContact CB-CG1 4.3Å; L95-V600 HydrophobicContact CB-CG2 4.43Å; L95-V600 HydrophobicContact CD2-CG1 4.38Å; L95-V600 CarbonylContact O-C 3.43Å; L95-V600 VanDerWaalsContact O-CA 3.28Å; L95-V600 WeakPolarHBondContact O-CA 3.32Å; I127-V600 HydrophobicContact CD1-CG1 4.38Å; I127-V600 HydrophobicContact CD1-CG2 3.81Å; I130-V600 HydrophobicContact CG2-CG2 4.26Å; I147-V600 HydrophobicContact CG2-CG2 4.22Å; T148-V600 PolarHBondContact O-N 3.12Å; I149-V600 CarbonylContact C-O 3.6Å; I149-V600 WeakPolarHBondContact CA-O 3.31Å; I149-V600 HydrophobicContact CG1-CB 4.25Å; I149-V600 HydrophobicContact CG1-CG2 4.42Å; S150-V600 PolarHBondContact N-O 3.29Å; T160-V600 HydrophobicContact CG2-CG1 3.92Å |
| 601 | R | 88.6 | Confident | 82.3 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 7% | 0.068 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 104.6 | -179.7 | -59.9 | -54.4 | -158.3 | -153.7 | 0.7 | 109.4 | I94 L95 I96 S97 S150 G436 L626 L628 | I94-R601 HydrophobicContact CG2-CG 3.85Å; L95-R601 PolarHBondContact O-N 2.84Å; I96-R601 CarbonylContact C-O 3.52Å; I96-R601 WeakPolarHBondContact CA-O 3.4Å; S97-R601 PolarHBondContact N-O 3.3Å; S150-R601 CarbonylContact O-C 3.5Å; S150-R601 WeakPolarHBondContact O-CA 3.46Å; S150-R601 WeakPolarHBondContact OG-CD 3.4Å; S150-R601 PolarHBondContact OG-NH1 3.07Å; G436-R601 PolarHBondContact O-NH2 3.25Å; R601-L626 HydrophobicContact CB-CD1 4.37Å; R601-L628 HydrophobicContact CB-CD1 3.86Å; R601-L628 HydrophobicContact CB-CD2 4.38Å; R601-L628 HydrophobicContact CB-CG 4.4Å; R601-L628 HydrophobicContact CG-CD1 4.21Å; R601-L628 HydrophobicContact CG-CD2 3.98Å; R601-L628 HydrophobicContact CG-CG 4.2Å |
| 602 | C | 89.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 133 | -178 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | S97 S150 G151 S155 K157 | S97-C602 CarbonylContact O-C 3.57Å; S97-C602 VanDerWaalsContact O-CA 3.3Å; S97-C602 WeakPolarHBondContact O-CA 3.49Å; S150-C602 PolarHBondContact O-N 3.12Å; G151-C602 VanDerWaalsContact CA-O 3.25Å; G151-C602 WeakPolarHBondContact CA-O 3.18Å; S155-C602 WeakPolarHBondContact O-CB 3.45Å; K157-C602 HydrophobicContact CG-CB 4Å |
| 603 | I | 89.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.8 | -178.1 | -60.6 | 177.6 | 0 | 0 | 0 | 109.6 | L78 I96 S97 V98 N99 C619 Q622 L623 L626 L628 | L78-I603 HydrophobicContact CD1-CD1 3.89Å; I96-I603 HydrophobicContact CG2-CD1 3.68Å; I96-I603 HydrophobicContact CG2-CG1 4.38Å; S97-I603 PolarHBondContact O-N 2.86Å; V98-I603 HydrophobicContact CG2-CB 4.42Å; N99-I603 PolarHBondContact N-O 3.39Å; I603-C619 HydrophobicContact CG2-CB 4.35Å; I603-Q622 HydrophobicContact CG2-CB 4.44Å; I603-L623 HydrophobicContact CD1-CD2 3.9Å; I603-L623 HydrophobicContact CD1-CG 4.32Å; I603-L626 HydrophobicContact CG1-CD1 4.18Å; I603-L628 HydrophobicContact CD1-CD1 4.39Å |
| 604 | K | 85.3 | Confident | 84.8 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | trans | -82.9 | 114.1 | 171.1 | 176.3 | 174.2 | -166.9 | -170.7 | 0 | 109 | Y101 N606 E607 L618 Q622 | Y101-K604 WeakPolarHBondContact OH-CE 3.4Å; Y101-K604 WeakPolarHBondContact OH-CG 3.37Å; K604-N606 WeakPolarHBondContact CE-O 3.49Å; K604-N606 WeakPolarHBondContact CG-O 3.43Å; K604-E607 WeakPolarHBondContact CE-OE2 3.13Å; K604-E607 IonicContact NZ-OE2 3.9Å; K604-E607 PolarHBondContact NZ-OE2 3.31Å; K604-L618 HydrophobicContact CG-CD2 4.23Å; K604-Q622 PolarHBondContact O-NE2 3.23Å | ||
| 605 | P | 90.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -79.2 | -25.3 | -173.3 | 33.2 | -39.5 | 0 | 0 | 0 | 114.1 | F82 V98 N99 Y101 L613 F614 N615 | F82-P605 HydrophobicContact CE1-CB 4.18Å; F82-P605 HydrophobicContact CE1-CG 4.47Å; F82-P605 HydrophobicContact CE2-CB 4.43Å; F82-P605 HydrophobicContact CE2-CG 4.32Å; F82-P605 HydrophobicContact CZ-CB 3.89Å; F82-P605 HydrophobicContact CZ-CG 3.78Å; V98-P605 HydrophobicContact CG1-CB 3.8Å; V98-P605 HydrophobicContact CG1-CG 4.26Å; N99-P605 VanDerWaalsContact O-CD 3.24Å; N99-P605 WeakPolarHBondContact O-CD 3.35Å; N99-P605 WeakPolarHBondContact O-CG 3.47Å; Y101-P605 HydrophobicContact CD2-CG 4.12Å; Y101-P605 HydrophobicContact CE2-CG 4.07Å; P605-L613 WeakPolarHBondContact CB-O 3.38Å; P605-F614 HydrophobicContact CB-CD2 4.2Å; P605-N615 WeakPolarHBondContact O-CA 3.45Å; P605-N615 VanDerWaalsContact O-CB 3.3Å; P605-N615 WeakPolarHBondContact O-CB 3.32Å; P605-N615 PolarHBondContact O-N 3.03Å | ||
| 606 | N | 87.7 | Confident | 85.6 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | trans | -150 | 156.8 | 176.6 | 67.4 | 80.1 | 0 | 0 | 0 | 111 | K604 F608 K609 E610 L613 | K604-N606 WeakPolarHBondContact CE-O 3.49Å; K604-N606 WeakPolarHBondContact CG-O 3.43Å; N606-F608 PolarHBondContact OD1-N 3.07Å; N606-F608 VanDerWaalsContact OD1-N 3.16Å; N606-K609 PolarHBondContact OD1-N 3.21Å; N606-E610 PolarHBondContact ND2-O 3.08Å; N606-E610 PolarHBondContact OD1-N 3.07Å; N606-L613 HydrophobicContact CB-CB 4.45Å; N606-L613 HydrophobicContact CB-CD2 3.99Å; N606-L613 HydrophobicContact CB-CG 4.13Å; N606-L613 PolarHBondContact ND2-O 3.42Å | ||
| 607 | E | 78.4 | Confident | 85.5 | Confident | 75 Ų | 75 | 43.7 Ų | 43.7 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -34.3 | 178.6 | -77.2 | -72.9 | -160.3 | 0 | 0 | 112.9 | K604 K609 L618 | K604-E607 WeakPolarHBondContact CE-OE2 3.13Å; K604-E607 IonicContact NZ-OE2 3.9Å; K604-E607 PolarHBondContact NZ-OE2 3.31Å; E607-K609 VanDerWaalsContact C-N 3.26Å; E607-K609 PolarHBondContact O-N 2.85Å; E607-L618 HydrophobicContact CG-CD1 4.45Å; E607-L618 HydrophobicContact CG-CD2 4.08Å |
| 608 | F | 81.7 | Confident | 85.7 | Confident | 155 Ų | 155 | 42.9 Ų | 42.9 | 68% | 0.68 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -6 | -169.3 | -52 | -65.4 | 0 | 0 | 0 | 115.2 | N606 E610 L613 | N606-F608 PolarHBondContact OD1-N 3.07Å; N606-F608 VanDerWaalsContact OD1-N 3.16Å; F608-E610 HydrophobicContact CB-CG 4Å; F608-E610 PolarHBondContact O-N 3.24Å; F608-L613 HydrophobicContact CD2-CD2 4.39Å |
| 609 | K | 79.5 | Confident | 85.7 | Confident | 87 Ų | 87 | 42.1 Ų | 42.1 | 38% | 0.378 | 21% | 0.207 | S | C | . | . | trans | 62.8 | 22.8 | -171.2 | -44.7 | 173.3 | -166.4 | 166.3 | 0 | 113.4 | Y101 D205 N606 E607 | Y101-K609 WeakPolarHBondContact CB-O 3.4Å; Y101-K609 HydrophobicContact CD1-CB 3.94Å; Y101-K609 HydrophobicContact CE1-CB 3.83Å; Y101-K609 HydrophobicContact CE1-CG 4.06Å; Y101-K609 HydrophobicContact CE2-CB 4.49Å; Y101-K609 HydrophobicContact CG-CB 4.33Å; D205-K609 IonicContact OD2-NZ 2.89Å; D205-K609 PolarHBondContact OD2-NZ 2.98Å; N606-K609 PolarHBondContact OD1-N 3.21Å; E607-K609 VanDerWaalsContact C-N 3.26Å; E607-K609 PolarHBondContact O-N 2.85Å | ||
| 610 | E | 78.7 | Confident | 85.6 | Confident | 100 Ų | 100 | 43.4 Ų | 43.4 | 47% | 0.467 | 21% | 0.212 | S | C | . | . | trans | -74.9 | 141.4 | -179.2 | -76.8 | -169.2 | 163 | 0 | 0 | 112.1 | N606 F608 L613 | N606-E610 PolarHBondContact ND2-O 3.08Å; N606-E610 PolarHBondContact OD1-N 3.07Å; F608-E610 HydrophobicContact CB-CG 4Å; F608-E610 PolarHBondContact O-N 3.24Å; E610-L613 HydrophobicContact CB-CB 4.18Å; E610-L613 HydrophobicContact CB-CD2 4.31Å; E610-L613 WeakPolarHBondContact OE2-CD2 3.37Å | ||
| 611 | P | 86.5 | Confident | 84.9 | Confident | 75 Ų | 75 | 47 Ų | 47 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 134.4 | -178 | 30.3 | -35.5 | 0 | 0 | 0 | 111.5 | P100 R102 L613 | P100-P611 WeakPolarHBondContact O-CA 3.48Å; R102-P611 HydrophobicContact CB-CB 3.99Å; P611-L613 PolarHBondContact O-N 3.32Å; P611-L613 VanDerWaalsContact O-N 3.09Å |
| 612 | M | 88.9 | Confident | 84.5 | Confident | 57 Ų | 57 | 46.6 Ų | 46.6 | 28% | 0.281 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 7 | 176.5 | -51.6 | -59.6 | -53.3 | 0 | 0 | 117 | F82 K85 P100 | F82-M612 VanDerWaalsContact CE1-C 3.49Å; F82-M612 WeakPolarHBondContact CE1-O 3.37Å; F82-M612 WeakPolarHBondContact O-CE 3.37Å; K85-M612 HydrophobicContact CB-CE 4.25Å; K85-M612 HydrophobicContact CG-CE 3.6Å; K85-M612 HydrophobicContact CG-SD 4.28Å; P100-M612 HydrophobicContact CB-SD 4.31Å; P100-M612 PolarHBondContact O-N 3.5Å |
| 613 | L | 89 | Confident | 84.1 | Confident | 72 Ų | 72 | 46.7 Ų | 46.7 | 38% | 0.377 | 23% | 0.231 | S | C | . | . | trans | -84.4 | 124.1 | 173.6 | 177.2 | 67.2 | 0 | 0 | 0 | 111.6 | P605 N606 F608 E610 P611 | P605-L613 WeakPolarHBondContact CB-O 3.38Å; N606-L613 HydrophobicContact CB-CB 4.45Å; N606-L613 HydrophobicContact CB-CD2 3.99Å; N606-L613 HydrophobicContact CB-CG 4.13Å; N606-L613 PolarHBondContact ND2-O 3.42Å; F608-L613 HydrophobicContact CD2-CD2 4.39Å; E610-L613 HydrophobicContact CB-CB 4.18Å; E610-L613 HydrophobicContact CB-CD2 4.31Å; E610-L613 WeakPolarHBondContact OE2-CD2 3.37Å; P611-L613 PolarHBondContact O-N 3.32Å; P611-L613 VanDerWaalsContact O-N 3.09Å | ||
| 614 | F | 89 | Confident | 83.4 | Confident | 36 Ų | 36 | 49.8 Ų | 49.8 | 16% | 0.158 | 25% | 0.247 | C | C | . | . | trans | -112.3 | 107.2 | 179.9 | -167.6 | -84.3 | 0 | 0 | 0 | 111.9 | L75 L78 A79 F82 V98 P605 R616 C619 | L75-F614 HydrophobicContact CD1-CE1 3.99Å; L75-F614 HydrophobicContact CD1-CZ 4.12Å; L78-F614 HydrophobicContact CB-CE2 4.2Å; L78-F614 HydrophobicContact CB-CZ 4.03Å; A79-F614 HydrophobicContact CB-CD1 3.87Å; A79-F614 HydrophobicContact CB-CE1 3.7Å; A79-F614 HydrophobicContact CB-CG 4.43Å; A79-F614 HydrophobicContact CB-CZ 4.12Å; F82-F614 HydrophobicContact CB-CD2 4.03Å; F82-F614 HydrophobicContact CB-CE2 4.41Å; F82-F614 HydrophobicContact CD1-CB 3.78Å; F82-F614 AromaticContact CD1-CD2 3.69Å; F82-F614 HydrophobicContact CD1-CD2 3.69Å; F82-F614 HydrophobicContact CD1-CG 4.2Å; F82-F614 HydrophobicContact CE1-CB 4Å; F82-F614 HydrophobicContact CE1-CD2 4.23Å; F82-F614 AromaticContact CG-CD2 3.89Å; F82-F614 HydrophobicContact CG-CD2 3.89Å; V98-F614 HydrophobicContact CG1-CD2 4.28Å; V98-F614 HydrophobicContact CG1-CE2 4.15Å; P605-F614 HydrophobicContact CB-CD2 4.2Å; F614-R616 HydrophobicContact CD1-CG 4.13Å; F614-R616 HydrophobicContact CE1-CG 4.11Å; F614-C619 HydrophobicContact CE1-CB 3.91Å; F614-C619 HydrophobicContact CE2-CB 4.32Å; F614-C619 VanDerWaalsContact CE2-SG 3.58Å; F614-C619 HydrophobicContact CZ-CB 3.67Å; F614-C619 WeakPolarHBondContact CZ-SG 3.45Å | ||
| 615 | N | 87.5 | Confident | 82.6 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | trans | -87.3 | 114 | 172.7 | -177.5 | -47.3 | 0 | 0 | 0 | 109.9 | P605 S617 L618 C619 | P605-N615 WeakPolarHBondContact O-CA 3.45Å; P605-N615 VanDerWaalsContact O-CB 3.3Å; P605-N615 WeakPolarHBondContact O-CB 3.32Å; P605-N615 PolarHBondContact O-N 3.03Å; N615-S617 PolarHBondContact O-N 2.7Å; N615-S617 PolarHBondContact OD1-N 3.24Å; N615-L618 HydrophobicContact CB-CB 4.1Å; N615-L618 PolarHBondContact O-N 3.37Å; N615-L618 PolarHBondContact OD1-N 2.92Å; N615-C619 WeakPolarHBondContact O-CB 3.43Å; N615-C619 PolarHBondContact O-N 3.45Å; N615-C619 VanDerWaalsContact O-N 3.08Å; N615-C619 PolarHBondContact O-SG 3.45Å | ||
| 616 | R | 83.4 | Confident | 81.8 | Confident | 47 Ų | 47 | 53.3 Ų | 53.3 | 18% | 0.177 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | -176.9 | -79.5 | 173.2 | 146.3 | -175.6 | -12.3 | 114.1 | D36 D37 L75 F614 Y620 | D36-R616 IonicContact OD2-CZ 2.99Å; D36-R616 IonicContact OD2-NH2 3.77Å; D36-R616 PolarHBondContact OD2-NH2 3.02Å; D37-R616 VanDerWaalsContact OD1-CD 3.31Å; D37-R616 WeakPolarHBondContact OD1-CD 3.35Å; D37-R616 IonicContact OD1-CZ 2.97Å; D37-R616 IonicContact OD1-NE 3.04Å; D37-R616 IonicContact OD1-NH1 3.58Å; D37-R616 PolarHBondContact OD1-NH1 2.76Å; L75-R616 HydrophobicContact CD2-CB 3.98Å; L75-R616 HydrophobicContact CD2-CG 4.17Å; L75-R616 HydrophobicContact CG-CG 4.47Å; F614-R616 HydrophobicContact CD1-CG 4.13Å; F614-R616 HydrophobicContact CE1-CG 4.11Å; R616-Y620 VanDerWaalsContact O-CB 3.25Å; R616-Y620 WeakPolarHBondContact O-CB 3.49Å; R616-Y620 PolarHBondContact O-N 2.84Å |
| 617 | S | 80.8 | Confident | 81.1 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.9 | -52.1 | 178.2 | -164.8 | 0 | 0 | 0 | 0 | 110.8 | N615 C619 Y620 D621 | N615-S617 PolarHBondContact O-N 2.7Å; N615-S617 PolarHBondContact OD1-N 3.24Å; S617-C619 VanDerWaalsContact C-N 3.28Å; S617-C619 PolarHBondContact O-N 2.68Å; S617-Y620 WeakPolarHBondContact O-CB 3.39Å; S617-Y620 PolarHBondContact O-N 3.32Å; S617-D621 PolarHBondContact O-N 3.05Å; S617-D621 VanDerWaalsContact O-OD2 3.05Å; S617-D621 PolarHBondContact OG-OD2 3.08Å |
| 618 | L | 83 | Confident | 80.9 | Confident | 21 Ų | 21 | 50 Ų | 50 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.4 | -37.4 | -178.7 | -176 | 68.5 | 0 | 0 | 0 | 112.4 | K604 E607 N615 Q622 | K604-L618 HydrophobicContact CG-CD2 4.23Å; E607-L618 HydrophobicContact CG-CD1 4.45Å; E607-L618 HydrophobicContact CG-CD2 4.08Å; N615-L618 HydrophobicContact CB-CB 4.1Å; N615-L618 PolarHBondContact O-N 3.37Å; N615-L618 PolarHBondContact OD1-N 2.92Å; L618-Q622 WeakPolarHBondContact O-CG 3.37Å; L618-Q622 PolarHBondContact O-N 2.85Å; L618-Q622 PolarHBondContact O-NE2 3.08Å |
| 619 | C | 86.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.2 | -39.8 | 175.3 | -68.1 | 0 | 0 | 0 | 0 | 112.2 | L75 I603 F614 N615 S617 Q622 L623 | L75-C619 HydrophobicContact CD1-CB 3.71Å; I603-C619 HydrophobicContact CG2-CB 4.35Å; F614-C619 HydrophobicContact CE1-CB 3.91Å; F614-C619 HydrophobicContact CE2-CB 4.32Å; F614-C619 VanDerWaalsContact CE2-SG 3.58Å; F614-C619 HydrophobicContact CZ-CB 3.67Å; F614-C619 WeakPolarHBondContact CZ-SG 3.45Å; N615-C619 WeakPolarHBondContact O-CB 3.43Å; N615-C619 PolarHBondContact O-N 3.45Å; N615-C619 VanDerWaalsContact O-N 3.08Å; N615-C619 PolarHBondContact O-SG 3.45Å; S617-C619 VanDerWaalsContact C-N 3.28Å; S617-C619 PolarHBondContact O-N 2.68Å; C619-Q622 PolarHBondContact O-N 2.94Å; C619-L623 VanDerWaalsContact O-CG 3.29Å; C619-L623 WeakPolarHBondContact O-CG 3.14Å; C619-L623 PolarHBondContact O-N 3.03Å |
| 620 | Y | 83 | Confident | 80.1 | Confident | 43 Ų | 43 | 42 Ų | 42 | 17% | 0.169 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -49 | 175.5 | 172.2 | -105.1 | 0 | 0 | 0 | 112 | A16 E71 R616 S617 Q622 L623 L624 | A16-Y620 HydrophobicContact CB-CD1 4.16Å; A16-Y620 HydrophobicContact CB-CD2 3.52Å; A16-Y620 HydrophobicContact CB-CE1 4.42Å; A16-Y620 HydrophobicContact CB-CE2 3.84Å; A16-Y620 HydrophobicContact CB-CG 3.67Å; E71-Y620 HydrophobicContact CB-CD2 4.48Å; E71-Y620 HydrophobicContact CB-CE2 3.88Å; E71-Y620 HydrophobicContact CG-CE2 4.06Å; E71-Y620 PolarHBondContact OE1-OH 2.57Å; E71-Y620 VanDerWaalsContact OE2-CE2 3.24Å; E71-Y620 WeakPolarHBondContact OE2-CE2 3.36Å; E71-Y620 PolarHBondContact OE2-OH 2.98Å; R616-Y620 VanDerWaalsContact O-CB 3.25Å; R616-Y620 WeakPolarHBondContact O-CB 3.49Å; R616-Y620 PolarHBondContact O-N 2.84Å; S617-Y620 WeakPolarHBondContact O-CB 3.39Å; S617-Y620 PolarHBondContact O-N 3.32Å; Y620-Q622 PolarHBondContact O-N 2.98Å; Y620-L623 WeakPolarHBondContact O-CB 3.35Å; Y620-L623 PolarHBondContact O-N 3.46Å; Y620-L624 HydrophobicContact CD1-CD1 4.25Å; Y620-L624 HydrophobicContact CE1-CD1 3.67Å; Y620-L624 HydrophobicContact CE2-CD1 4.3Å; Y620-L624 HydrophobicContact CE2-CG 4.39Å; Y620-L624 PolarHBondContact O-N 2.89Å |
| 621 | D | 75.6 | Confident | 79.9 | Confident | 75 Ų | 75 | 38.8 Ų | 38.8 | 40% | 0.401 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.3 | -39 | 178 | -61.6 | -36.9 | 0 | 0 | 0 | 111.1 | S617 C625 | S617-D621 PolarHBondContact O-N 3.05Å; S617-D621 VanDerWaalsContact O-OD2 3.05Å; S617-D621 PolarHBondContact OG-OD2 3.08Å; D621-C625 WeakPolarHBondContact O-CB 3.44Å; D621-C625 PolarHBondContact O-N 3.38Å; D621-C625 PolarHBondContact O-SG 3.18Å |
| 622 | Q | 81.5 | Confident | 79.4 | Confident | 10 Ų | 10 | 35.4 Ų | 35.4 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.1 | -36.1 | 173.5 | -78 | 170.2 | 94.6 | 0 | 0 | 114.1 | I603 K604 L618 C619 Y620 L624 C625 L626 | I603-Q622 HydrophobicContact CG2-CB 4.44Å; K604-Q622 PolarHBondContact O-NE2 3.23Å; L618-Q622 WeakPolarHBondContact O-CG 3.37Å; L618-Q622 PolarHBondContact O-N 2.85Å; L618-Q622 PolarHBondContact O-NE2 3.08Å; C619-Q622 PolarHBondContact O-N 2.94Å; Y620-Q622 PolarHBondContact O-N 2.98Å; Q622-L624 VanDerWaalsContact C-N 3.3Å; Q622-L624 PolarHBondContact O-N 2.94Å; Q622-C625 PolarHBondContact O-N 2.9Å; Q622-L626 VanDerWaalsContact O-CB 3.31Å; Q622-L626 WeakPolarHBondContact O-CB 3.35Å; Q622-L626 VanDerWaalsContact O-CG 3.26Å; Q622-L626 WeakPolarHBondContact O-CG 3.4Å; Q622-L626 PolarHBondContact O-N 3.29Å |
| 623 | L | 80.1 | Confident | 78.6 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61 | -41.8 | 175.1 | -76.8 | 167.3 | 0 | 0 | 0 | 111.1 | V74 L75 L78 I603 C619 Y620 G627 L628 | V74-L623 HydrophobicContact CG1-CD1 4.01Å; V74-L623 HydrophobicContact CG1-CD2 4.2Å; L75-L623 HydrophobicContact CD1-CD1 4.02Å; L78-L623 HydrophobicContact CD1-CD1 4.31Å; L78-L623 HydrophobicContact CD1-CD2 3.95Å; I603-L623 HydrophobicContact CD1-CD2 3.9Å; I603-L623 HydrophobicContact CD1-CG 4.32Å; C619-L623 VanDerWaalsContact O-CG 3.29Å; C619-L623 WeakPolarHBondContact O-CG 3.14Å; C619-L623 PolarHBondContact O-N 3.03Å; Y620-L623 WeakPolarHBondContact O-CB 3.35Å; Y620-L623 PolarHBondContact O-N 3.46Å; L623-G627 PolarHBondContact O-N 3.43Å; L623-L628 HydrophobicContact CD2-CB 3.94Å; L623-L628 HydrophobicContact CD2-CD1 3.69Å; L623-L628 HydrophobicContact CD2-CG 4.47Å; L623-L628 PolarHBondContact O-N 3.26Å |
| 624 | L | 74 | Confident | 77.7 | Confident | 66 Ų | 66 | 33.2 Ų | 33.2 | 35% | 0.346 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.1 | -53.5 | 170.5 | -65.9 | 178.6 | 0 | 0 | 0 | 110.9 | Y519 Y620 Q622 L626 G627 M629 | Y519-L624 VanDerWaalsContact CE1-O 3.32Å; Y519-L624 WeakPolarHBondContact CE1-O 3.39Å; Y620-L624 HydrophobicContact CD1-CD1 4.25Å; Y620-L624 HydrophobicContact CE1-CD1 3.67Å; Y620-L624 HydrophobicContact CE2-CD1 4.3Å; Y620-L624 HydrophobicContact CE2-CG 4.39Å; Y620-L624 PolarHBondContact O-N 2.89Å; Q622-L624 VanDerWaalsContact C-N 3.3Å; Q622-L624 PolarHBondContact O-N 2.94Å; L624-L626 PolarHBondContact O-N 3.09Å; L624-L626 VanDerWaalsContact O-N 3.12Å; L624-G627 PolarHBondContact O-N 2.9Å; L624-M629 HydrophobicContact CD2-CG 4.43Å |
| 625 | C | 69.1 | Low | 76.9 | Confident | 58 Ų | 58 | 32.5 Ų | 32.5 | 39% | 0.392 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.7 | -26.2 | -177.3 | -69.2 | 0 | 0 | 0 | 0 | 114.6 | T520 D621 Q622 | T520-C625 HydrophobicContact CG2-CB 3.77Å; T520-C625 VanDerWaalsContact CG2-SG 3.52Å; D621-C625 WeakPolarHBondContact O-CB 3.44Å; D621-C625 PolarHBondContact O-N 3.38Å; D621-C625 PolarHBondContact O-SG 3.18Å; Q622-C625 PolarHBondContact O-N 2.9Å |
| 626 | L | 73.8 | Confident | 76.3 | Confident | 18 Ų | 18 | 31.7 Ų | 31.7 | 9% | 0.094 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -0.3 | 177.7 | -67.7 | 169.2 | 0 | 0 | 0 | 113.8 | Y435 R601 I603 Q622 L624 L628 | Y435-L626 HydrophobicContact CD1-CD2 4.15Å; Y435-L626 HydrophobicContact CE1-CD2 4.37Å; R601-L626 HydrophobicContact CB-CD1 4.37Å; I603-L626 HydrophobicContact CG1-CD1 4.18Å; Q622-L626 VanDerWaalsContact O-CB 3.31Å; Q622-L626 WeakPolarHBondContact O-CB 3.35Å; Q622-L626 VanDerWaalsContact O-CG 3.26Å; Q622-L626 WeakPolarHBondContact O-CG 3.4Å; Q622-L626 PolarHBondContact O-N 3.29Å; L624-L626 PolarHBondContact O-N 3.09Å; L624-L626 VanDerWaalsContact O-N 3.12Å; L626-L628 HydrophobicContact CB-CD1 4.17Å; L626-L628 HydrophobicContact CB-CG 4.19Å; L626-L628 HydrophobicContact CD1-CD1 4.31Å; L626-L628 PolarHBondContact O-N 3.35Å |
| 627 | G | 72.2 | Confident | 75.6 | Confident | 7 Ų | 7 | 32.2 Ų | 32.2 | 7% | 0.072 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 26.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y519 L623 L624 T631 | Y519-G627 WeakPolarHBondContact OH-CA 3.41Å; L623-G627 PolarHBondContact O-N 3.43Å; L624-G627 PolarHBondContact O-N 2.9Å; G627-T631 VanDerWaalsContact O-CB 3.3Å; G627-T631 WeakPolarHBondContact O-CB 3.22Å; G627-T631 PolarHBondContact O-N 3.21Å; G627-T631 VanDerWaalsContact O-N 3.1Å; G627-T631 PolarHBondContact O-OG1 2.72Å |
| 628 | L | 75.5 | Confident | 75 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.3 | -33 | -172.3 | -91.3 | 169.5 | 0 | 0 | 0 | 112.3 | I96 R601 I603 L623 L626 T631 I632 | I96-L628 HydrophobicContact CD1-CD1 4.15Å; I96-L628 HydrophobicContact CD1-CD2 4.03Å; I96-L628 HydrophobicContact CG1-CD1 4.13Å; I96-L628 HydrophobicContact CG1-CD2 4.06Å; R601-L628 HydrophobicContact CB-CD1 3.86Å; R601-L628 HydrophobicContact CB-CD2 4.38Å; R601-L628 HydrophobicContact CB-CG 4.4Å; R601-L628 HydrophobicContact CG-CD1 4.21Å; R601-L628 HydrophobicContact CG-CD2 3.98Å; R601-L628 HydrophobicContact CG-CG 4.2Å; I603-L628 HydrophobicContact CD1-CD1 4.39Å; L623-L628 HydrophobicContact CD2-CB 3.94Å; L623-L628 HydrophobicContact CD2-CD1 3.69Å; L623-L628 HydrophobicContact CD2-CG 4.47Å; L623-L628 PolarHBondContact O-N 3.26Å; L626-L628 HydrophobicContact CB-CD1 4.17Å; L626-L628 HydrophobicContact CB-CG 4.19Å; L626-L628 HydrophobicContact CD1-CD1 4.31Å; L626-L628 PolarHBondContact O-N 3.35Å; L628-T631 PolarHBondContact O-N 2.9Å; L628-I632 WeakPolarHBondContact O-CB 3.19Å; L628-I632 WeakPolarHBondContact O-CD1 3.4Å; L628-I632 WeakPolarHBondContact O-CG1 3.37Å; L628-I632 PolarHBondContact O-N 3.05Å |
| 629 | M | 74.9 | Confident | 74.6 | Confident | 27 Ų | 27 | 29.6 Ų | 29.6 | 13% | 0.133 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.4 | -59.7 | 176 | -66.6 | -53.7 | -54.3 | 0 | 0 | 111.4 | E71 V74 L624 T631 I632 H633 | E71-M629 HydrophobicContact CB-CE 4.34Å; E71-M629 HydrophobicContact CG-CE 3.85Å; E71-M629 HydrophobicContact CG-CG 4.47Å; E71-M629 HydrophobicContact CG-SD 4.32Å; V74-M629 HydrophobicContact CB-CE 4.32Å; V74-M629 HydrophobicContact CB-SD 3.86Å; V74-M629 HydrophobicContact CG1-SD 3.77Å; V74-M629 HydrophobicContact CG2-CE 3.82Å; V74-M629 HydrophobicContact CG2-SD 3.86Å; L624-M629 HydrophobicContact CD2-CG 4.43Å; M629-T631 VanDerWaalsContact C-N 3.26Å; M629-T631 PolarHBondContact O-N 3.22Å; M629-I632 PolarHBondContact O-N 3.19Å; M629-H633 PolarHBondContact O-N 2.73Å |
| 630 | D | 70.1 | Confident | 73.5 | Confident | 46 Ų | 46 | 30.3 Ų | 30.3 | 25% | 0.246 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -51.1 | -47.8 | 175.4 | -57.2 | -4.2 | 0 | 0 | 0 | 110.7 | Y519 I632 H633 I634 | Y519-D630 PolarHBondContact OH-OD2 3.25Å; D630-I632 PolarHBondContact O-N 2.95Å; D630-H633 PolarHBondContact O-N 3.25Å; D630-I634 HydrophobicContact CB-CD1 4.46Å; D630-I634 WeakPolarHBondContact O-CB 3.27Å; D630-I634 WeakPolarHBondContact O-CD1 3.42Å; D630-I634 VanDerWaalsContact O-CG1 3.24Å; D630-I634 WeakPolarHBondContact O-CG1 3.44Å; D630-I634 PolarHBondContact O-N 3.11Å |
| 631 | T | 72.9 | Confident | 72.9 | Confident | 34 Ų | 34 | 29.9 Ų | 29.9 | 21% | 0.209 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | -177.5 | -58 | 0 | 0 | 0 | 0 | 112.9 | I94 G627 L628 M629 R635 | I94-T631 HydrophobicContact CD1-CG2 3.49Å; I94-T631 VanDerWaalsContact CD1-CG2 3.49Å; G627-T631 VanDerWaalsContact O-CB 3.3Å; G627-T631 WeakPolarHBondContact O-CB 3.22Å; G627-T631 PolarHBondContact O-N 3.21Å; G627-T631 VanDerWaalsContact O-N 3.1Å; G627-T631 PolarHBondContact O-OG1 2.72Å; L628-T631 PolarHBondContact O-N 2.9Å; M629-T631 VanDerWaalsContact C-N 3.26Å; M629-T631 PolarHBondContact O-N 3.22Å; T631-R635 WeakPolarHBondContact O-CB 3.24Å; T631-R635 VanDerWaalsContact O-CG 3.3Å; T631-R635 WeakPolarHBondContact O-CG 3.34Å; T631-R635 PolarHBondContact O-N 3.02Å |
| 632 | I | 76.1 | Confident | 72.9 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.2 | -44.7 | 176.3 | -70.3 | 160.8 | 0 | 0 | 0 | 110 | M63 V74 A91 L628 M629 D630 I634 R635 K636 | M63-I632 HydrophobicContact CB-CD1 3.8Å; M63-I632 HydrophobicContact CB-CG1 3.97Å; M63-I632 HydrophobicContact CB-CG2 4.12Å; M63-I632 HydrophobicContact CE-CD1 4.41Å; M63-I632 HydrophobicContact CG-CD1 3.93Å; M63-I632 HydrophobicContact SD-CD1 4.47Å; V74-I632 HydrophobicContact CG1-CD1 4.14Å; V74-I632 HydrophobicContact CG2-CD1 4.35Å; A91-I632 HydrophobicContact CB-CD1 4.49Å; A91-I632 HydrophobicContact CB-CG1 3.9Å; L628-I632 WeakPolarHBondContact O-CB 3.19Å; L628-I632 WeakPolarHBondContact O-CD1 3.4Å; L628-I632 WeakPolarHBondContact O-CG1 3.37Å; L628-I632 PolarHBondContact O-N 3.05Å; M629-I632 PolarHBondContact O-N 3.19Å; D630-I632 PolarHBondContact O-N 2.95Å; I632-I634 PolarHBondContact O-N 3.15Å; I632-R635 PolarHBondContact O-N 3.45Å; I632-K636 PolarHBondContact O-N 2.72Å |
| 633 | H | 73.6 | Confident | 72.5 | Confident | 71 Ų | 71 | 31.7 Ų | 31.7 | 33% | 0.329 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.5 | -47.5 | -179.8 | -144.9 | 101.6 | 0 | 0 | 0 | 111.6 | M69 M629 D630 R635 K636 S637 | M69-H633 VanDerWaalsContact CE-CE1 3.42Å; M69-H633 WeakPolarHBondContact CE-CE1 2.81Å; M69-H633 HydrophobicContact SD-CB 4.31Å; M629-H633 PolarHBondContact O-N 2.73Å; D630-H633 PolarHBondContact O-N 3.25Å; H633-R635 PolarHBondContact O-N 2.97Å; H633-K636 PolarHBondContact O-N 3.32Å; H633-S637 PolarHBondContact O-N 3.05Å; H633-S637 PolarHBondContact O-OG 2.75Å |
| 634 | I | 69 | Low | 72.4 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 7% | 0.067 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 176.6 | -70.1 | 161.2 | 0 | 0 | 0 | 111.5 | Q439 Y442 W449 I452 D630 I632 G638 | Q439-I634 HydrophobicContact CG-CD1 4.34Å; Q439-I634 VanDerWaalsContact NE2-CD1 3.33Å; Y442-I634 HydrophobicContact CE2-CG2 4.47Å; W449-I634 HydrophobicContact CH2-CB 4.34Å; W449-I634 HydrophobicContact CH2-CG1 4.35Å; W449-I634 HydrophobicContact CH2-CG2 3.98Å; I452-I634 HydrophobicContact CB-CG1 4.44Å; I452-I634 HydrophobicContact CD1-CG1 4.5Å; I452-I634 HydrophobicContact CG2-CG1 4.33Å; D630-I634 HydrophobicContact CB-CD1 4.46Å; D630-I634 WeakPolarHBondContact O-CB 3.27Å; D630-I634 WeakPolarHBondContact O-CD1 3.42Å; D630-I634 VanDerWaalsContact O-CG1 3.24Å; D630-I634 WeakPolarHBondContact O-CG1 3.44Å; D630-I634 PolarHBondContact O-N 3.11Å; I632-I634 PolarHBondContact O-N 3.15Å; I634-G638 WeakPolarHBondContact O-CA 3.38Å; I634-G638 PolarHBondContact O-N 3.34Å |
| 635 | R | 73 | Confident | 72.7 | Confident | 20 Ų | 20 | 34.9 Ų | 34.9 | 8% | 0.075 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -79.2 | -22.7 | -177.4 | -71 | -169.4 | 171.7 | -143.2 | 4 | 114.3 | V64 S92 S93 E438 T631 I632 H633 P640 | V64-R635 HydrophobicContact CG2-CB 4.41Å; S92-R635 PolarHBondContact OG-NH1 3.36Å; S92-R635 VanDerWaalsContact OG-NH1 3.09Å; S93-R635 PolarHBondContact OG-NH1 3.45Å; E438-R635 IonicContact OE2-NH2 3.51Å; E438-R635 PolarHBondContact OE2-NH2 3.14Å; T631-R635 WeakPolarHBondContact O-CB 3.24Å; T631-R635 VanDerWaalsContact O-CG 3.3Å; T631-R635 WeakPolarHBondContact O-CG 3.34Å; T631-R635 PolarHBondContact O-N 3.02Å; I632-R635 PolarHBondContact O-N 3.45Å; H633-R635 PolarHBondContact O-N 2.97Å; R635-P640 HydrophobicContact CG-CB 4.45Å |
| 636 | K | 73.8 | Confident | 73.1 | Confident | 53 Ų | 53 | 34.4 Ų | 34.4 | 23% | 0.23 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -76.6 | -42.3 | 172 | -173.6 | -176.9 | -175.3 | -175 | 0 | 112.6 | V64 L66 I67 M69 I632 H633 | V64-K636 HydrophobicContact CG1-CB 4.04Å; V64-K636 HydrophobicContact CG1-CG 4.06Å; V64-K636 WeakPolarHBondContact O-CD 3.26Å; V64-K636 WeakPolarHBondContact O-CE 3.48Å; L66-K636 WeakPolarHBondContact O-CE 3.47Å; L66-K636 PolarHBondContact O-NZ 3.36Å; I67-K636 PolarHBondContact O-NZ 2.85Å; M69-K636 HydrophobicContact CE-CD 3.81Å; M69-K636 HydrophobicContact SD-CB 4.09Å; M69-K636 HydrophobicContact SD-CD 3.4Å; M69-K636 WeakPolarHBondContact SD-CD 3.42Å; M69-K636 HydrophobicContact SD-CG 4.35Å; I632-K636 PolarHBondContact O-N 2.72Å; H633-K636 PolarHBondContact O-N 3.32Å |
| 637 | S | 69.3 | Low | 73.1 | Confident | 58 Ų | 58 | 37 Ų | 37 | 41% | 0.406 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -80.8 | -26 | 179.9 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | H633 | H633-S637 PolarHBondContact O-N 3.05Å; H633-S637 PolarHBondContact O-OG 2.75Å |
| 638 | G | 68.3 | Low | 73.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -97.4 | -161.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I634 | I634-G638 WeakPolarHBondContact O-CA 3.38Å; I634-G638 PolarHBondContact O-N 3.34Å |
| 639 | Y | 74.3 | Confident | 74 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 7% | 0.071 | 19% | 0.187 | C | C | . | . | trans | -126.6 | 79.4 | -175.8 | -58.9 | -80.8 | 0 | 0 | 0 | 110.5 | Y442 I447 V641 Q688 F695 L696 K697 | Y442-Y639 PolarHBondContact OH-N 2.92Å; Y442-Y639 PolarHBondContact OH-O 3.31Å; I447-Y639 HydrophobicContact CG2-CD2 3.96Å; I447-Y639 HydrophobicContact CG2-CE2 4.01Å; Y639-V641 VanDerWaalsContact C-N 3.26Å; Y639-V641 PolarHBondContact O-N 3.46Å; Y639-Q688 HydrophobicContact CE1-CG 4.5Å; Y639-Q688 HydrophobicContact CE2-CB 4.32Å; Y639-Q688 HydrophobicContact CE2-CG 4.06Å; Y639-Q688 PolarHBondContact OH-NE2 3.35Å; Y639-F695 HydrophobicContact CD2-CB 4.45Å; Y639-F695 HydrophobicContact CG-CB 4.05Å; Y639-L696 CarbonylContact C-O 3.58Å; Y639-L696 VanDerWaalsContact C-O 3.29Å; Y639-L696 WeakPolarHBondContact CA-O 3.34Å; Y639-K697 HydrophobicContact CD1-CG 3.92Å; Y639-K697 HydrophobicContact CE1-CG 4.2Å | ||
| 640 | P | 64.3 | Low | 74.2 | Confident | 15 Ų | 15 | 40 Ų | 40 | 10% | 0.097 | 21% | 0.207 | C | C | . | . | trans | -62.9 | -26.8 | -170.2 | 22.7 | -33.5 | 0 | 0 | 0 | 114.4 | R635 D698 | R635-P640 HydrophobicContact CG-CB 4.45Å; P640-D698 WeakPolarHBondContact CG-OD2 3.39Å | ||
| 641 | V | 70 | Confident | 74.5 | Confident | 33 Ų | 33 | 39.1 Ų | 39.1 | 20% | 0.2 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.5 | -179.9 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | Y639 F643 L696 D698 A701 | Y639-V641 VanDerWaalsContact C-N 3.26Å; Y639-V641 PolarHBondContact O-N 3.46Å; V641-F643 HydrophobicContact CG1-CD2 4.15Å; V641-F643 HydrophobicContact CG1-CE2 3.54Å; V641-F643 HydrophobicContact CG1-CZ 4.08Å; V641-L696 HydrophobicContact CB-CB 4.14Å; V641-L696 HydrophobicContact CG1-CB 4.47Å; V641-L696 HydrophobicContact CG1-CD1 4.32Å; V641-L696 PolarHBondContact N-O 2.92Å; V641-L696 VanDerWaalsContact N-O 3.16Å; V641-L696 PolarHBondContact O-N 2.77Å; V641-D698 WeakPolarHBondContact CG2-OD1 3.03Å; V641-A701 HydrophobicContact CB-CB 3.92Å; V641-A701 HydrophobicContact CG1-CB 3.76Å; V641-A701 HydrophobicContact CG2-CB 3.84Å |
| 642 | R | 74.9 | Confident | 75.1 | Confident | 71 Ų | 71 | 37.7 Ų | 37.7 | 27% | 0.268 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 129.1 | -169.6 | -22.5 | 172.3 | -168.5 | 144.2 | 16.3 | 109.9 | E438 E441 V694 F695 | E438-R642 IonicContact OE1-CZ 3.77Å; E438-R642 IonicContact OE1-NH1 3.83Å; E438-R642 IonicContact OE1-NH2 3.71Å; E438-R642 PolarHBondContact OE1-NH2 2.87Å; E438-R642 IonicContact OE2-NH2 2.76Å; E441-R642 WeakPolarHBondContact OE2-CD 3.26Å; E441-R642 IonicContact OE2-CZ 3.88Å; E441-R642 IonicContact OE2-NE 3.8Å; E441-R642 IonicContact OE2-NH1 2.65Å; E441-R642 PolarHBondContact OE2-NH1 3.13Å; R642-V694 WeakPolarHBondContact CA-O 3.39Å; R642-F695 HydrophobicContact CB-CD1 4.13Å; R642-F695 HydrophobicContact CB-CE1 3.89Å; R642-F695 HydrophobicContact CG-CD1 4.03Å; R642-F695 HydrophobicContact CG-CE1 3.78Å |
| 643 | F | 74.3 | Confident | 75.4 | Confident | 53 Ų | 53 | 42.3 Ų | 42.3 | 23% | 0.232 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 135 | 175.1 | -64.9 | -81 | 0 | 0 | 0 | 111.5 | V641 F648 Y652 R693 V694 L696 | V641-F643 HydrophobicContact CG1-CD2 4.15Å; V641-F643 HydrophobicContact CG1-CE2 3.54Å; V641-F643 HydrophobicContact CG1-CZ 4.08Å; F643-F648 HydrophobicContact CB-CB 4.01Å; F643-F648 HydrophobicContact CB-CD2 3.98Å; F643-F648 HydrophobicContact CB-CG 4.5Å; F643-F648 AromaticContact CD2-CD2 3.82Å; F643-F648 HydrophobicContact CD2-CD2 3.82Å; F643-F648 HydrophobicContact CD2-CE2 4.31Å; F643-F648 HydrophobicContact CG-CD2 4.07Å; F643-Y652 HydrophobicContact CE1-CE2 4.47Å; F643-Y652 HydrophobicContact CE2-CE2 4.4Å; F643-Y652 HydrophobicContact CZ-CE2 4.33Å; F643-Y652 WeakPolarHBondContact CZ-OH 3.37Å; F643-R693 CarbonylContact O-C 3.56Å; F643-R693 WeakPolarHBondContact O-CA 3.38Å; F643-R693 VanDerWaalsContact O-CB 3.24Å; F643-R693 WeakPolarHBondContact O-CB 3.35Å; F643-V694 HydrophobicContact CB-CG1 3.94Å; F643-V694 PolarHBondContact N-O 3.13Å; F643-V694 PolarHBondContact O-N 3.17Å; F643-L696 HydrophobicContact CD2-CD1 3.86Å; F643-L696 HydrophobicContact CE2-CD1 3.8Å |
| 644 | K | 76.4 | Confident | 75.7 | Confident | 115 Ų | 115 | 42 Ų | 42 | 50% | 0.5 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 140.6 | 165.1 | -72.1 | -176.8 | 177.9 | 179.5 | 0 | 110 | S646 N647 F648 R693 | K644-S646 VanDerWaalsContact C-N 3.26Å; K644-S646 PolarHBondContact O-N 2.85Å; K644-N647 PolarHBondContact O-N 3.02Å; K644-F648 PolarHBondContact O-N 2.67Å; K644-R693 HydrophobicContact CG-CG 4.33Å |
| 645 | F | 80.6 | Confident | 76.4 | Confident | 19 Ų | 19 | 42.6 Ų | 42.6 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54 | -41.1 | -178.7 | -63.8 | -48.8 | 0 | 0 | 0 | 113 | N647 F648 A649 D669 C670 T673 L689 G690 T692 R693 V694 | F645-N647 PolarHBondContact O-N 3.44Å; F645-F648 PolarHBondContact O-N 3Å; F645-A649 VanDerWaalsContact O-CB 3.26Å; F645-A649 WeakPolarHBondContact O-CB 3.29Å; F645-A649 PolarHBondContact O-N 3.44Å; F645-D669 HydrophobicContact CB-CB 3.88Å; F645-C670 HydrophobicContact CD1-CB 4.33Å; F645-C670 HydrophobicContact CD2-CB 3.86Å; F645-C670 HydrophobicContact CE1-CB 4.44Å; F645-C670 HydrophobicContact CE2-CB 3.97Å; F645-C670 HydrophobicContact CG-CB 4.06Å; F645-C670 HydrophobicContact CZ-CB 4.27Å; F645-C670 VanDerWaalsContact CZ-SG 3.57Å; F645-T673 HydrophobicContact CD1-CG2 3.88Å; F645-T673 HydrophobicContact CE1-CG2 4.21Å; F645-L689 HydrophobicContact CE1-CD2 3.85Å; F645-L689 HydrophobicContact CZ-CB 4.4Å; F645-G690 WeakPolarHBondContact CZ-O 3.39Å; F645-T692 VanDerWaalsContact CD2-C 3.42Å; F645-T692 WeakPolarHBondContact CD2-O 3.31Å; F645-T692 VanDerWaalsContact CE2-C 3.42Å; F645-T692 PolarHBondContact N-O 2.99Å; F645-T692 VanDerWaalsContact N-O 3.15Å; F645-R693 WeakPolarHBondContact CE1-O 3.36Å; F645-R693 WeakPolarHBondContact CZ-O 3.44Å; F645-V694 HydrophobicContact CD1-CB 4.41Å; F645-V694 HydrophobicContact CE1-CB 4.1Å |
| 646 | S | 77.6 | Confident | 76.8 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.2 | -44.8 | 175.8 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | K644 T650 D669 | K644-S646 VanDerWaalsContact C-N 3.26Å; K644-S646 PolarHBondContact O-N 2.85Å; S646-T650 VanDerWaalsContact O-CB 3.23Å; S646-T650 WeakPolarHBondContact O-CB 3.22Å; S646-T650 PolarHBondContact O-N 3.3Å; S646-T650 PolarHBondContact O-OG1 2.91Å; S646-D669 WeakPolarHBondContact CA-OD2 3.44Å |
| 647 | N | 74.6 | Confident | 76.3 | Confident | 74 Ų | 74 | 44.3 Ų | 44.3 | 40% | 0.396 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -72.9 | -41.3 | -178.5 | -64 | 43.5 | 0 | 0 | 0 | 109.8 | K644 F645 T650 S651 | K644-N647 PolarHBondContact O-N 3.02Å; F645-N647 PolarHBondContact O-N 3.44Å; N647-T650 PolarHBondContact O-N 3.2Å; N647-S651 WeakPolarHBondContact O-CB 3.25Å; N647-S651 PolarHBondContact O-N 3.27Å |
| 648 | F | 85.2 | Confident | 75.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -52.2 | 177 | -168.6 | -82.8 | 0 | 0 | 0 | 111.9 | F643 K644 F645 T650 S651 Y652 T673 V676 V694 L696 L704 | F643-F648 HydrophobicContact CB-CB 4.01Å; F643-F648 HydrophobicContact CB-CD2 3.98Å; F643-F648 HydrophobicContact CB-CG 4.5Å; F643-F648 AromaticContact CD2-CD2 3.82Å; F643-F648 HydrophobicContact CD2-CD2 3.82Å; F643-F648 HydrophobicContact CD2-CE2 4.31Å; F643-F648 HydrophobicContact CG-CD2 4.07Å; K644-F648 PolarHBondContact O-N 2.67Å; F645-F648 PolarHBondContact O-N 3Å; F648-T650 VanDerWaalsContact C-N 3.28Å; F648-T650 PolarHBondContact O-N 3.49Å; F648-S651 PolarHBondContact O-N 3.33Å; F648-Y652 HydrophobicContact CB-CD2 4.28Å; F648-Y652 AromaticContact CD1-CD2 3.92Å; F648-Y652 HydrophobicContact CD1-CD2 3.92Å; F648-Y652 AromaticContact CD2-CD2 3.41Å; F648-Y652 HydrophobicContact CD2-CD2 3.41Å; F648-Y652 VanDerWaalsContact CD2-CD2 3.41Å; F648-Y652 AromaticContact CD2-CE2 3.61Å; F648-Y652 HydrophobicContact CD2-CE2 3.61Å; F648-Y652 HydrophobicContact CE1-CD2 4.06Å; F648-Y652 HydrophobicContact CE1-CG 4.42Å; F648-Y652 AromaticContact CE2-CD2 3.59Å; F648-Y652 HydrophobicContact CE2-CD2 3.59Å; F648-Y652 AromaticContact CE2-CE2 3.9Å; F648-Y652 HydrophobicContact CE2-CE2 3.9Å; F648-Y652 HydrophobicContact CE2-CG 4.35Å; F648-Y652 AromaticContact CG-CD2 3.61Å; F648-Y652 HydrophobicContact CG-CD2 3.61Å; F648-Y652 HydrophobicContact CG-CE2 4.17Å; F648-Y652 AromaticContact CZ-CD2 3.92Å; F648-Y652 HydrophobicContact CZ-CD2 3.92Å; F648-Y652 HydrophobicContact CZ-CG 4.31Å; F648-Y652 WeakPolarHBondContact O-CB 3.31Å; F648-Y652 WeakPolarHBondContact O-CD2 3.23Å; F648-Y652 PolarHBondContact O-N 2.77Å; F648-T673 HydrophobicContact CB-CG2 4.39Å; F648-T673 HydrophobicContact CD1-CG2 3.38Å; F648-T673 WeakPolarHBondContact CD1-OG1 3.49Å; F648-T673 HydrophobicContact CE1-CG2 3.67Å; F648-T673 HydrophobicContact CG-CG2 3.85Å; F648-T673 HydrophobicContact CZ-CG2 4.35Å; F648-V676 HydrophobicContact CE1-CB 3.94Å; F648-V676 HydrophobicContact CE1-CG1 3.78Å; F648-V676 HydrophobicContact CZ-CG1 3.97Å; F648-V694 HydrophobicContact CB-CG1 4.05Å; F648-V694 HydrophobicContact CD1-CG1 4.44Å; F648-V694 HydrophobicContact CD2-CG1 3.39Å; F648-V694 HydrophobicContact CE2-CG1 3.86Å; F648-V694 HydrophobicContact CG-CG1 3.7Å; F648-L696 HydrophobicContact CE2-CD1 4.17Å; F648-L704 HydrophobicContact CD2-CD2 4.35Å; F648-L704 HydrophobicContact CE2-CD1 4.43Å; F648-L704 HydrophobicContact CE2-CD2 3.39Å; F648-L704 HydrophobicContact CZ-CD1 3.98Å; F648-L704 HydrophobicContact CZ-CD2 3.8Å |
| 649 | A | 81.8 | Confident | 75.1 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F645 K653 D669 V672 | F645-A649 VanDerWaalsContact O-CB 3.26Å; F645-A649 WeakPolarHBondContact O-CB 3.29Å; F645-A649 PolarHBondContact O-N 3.44Å; A649-K653 WeakPolarHBondContact O-CB 3.45Å; A649-K653 VanDerWaalsContact O-CD 3.25Å; A649-K653 WeakPolarHBondContact O-CD 3.41Å; A649-K653 WeakPolarHBondContact O-CG 3.13Å; A649-K653 PolarHBondContact O-N 3.22Å; A649-D669 HydrophobicContact CB-CB 3.98Å; A649-V672 HydrophobicContact CB-CB 4.07Å; A649-V672 HydrophobicContact CB-CG1 3.93Å |
| 650 | T | 78.2 | Confident | 73.8 | Confident | 93 Ų | 93 | 55.7 Ų | 55.7 | 57% | 0.571 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62 | -46.9 | 176.3 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | S646 N647 F648 | S646-T650 VanDerWaalsContact O-CB 3.23Å; S646-T650 WeakPolarHBondContact O-CB 3.22Å; S646-T650 PolarHBondContact O-N 3.3Å; S646-T650 PolarHBondContact O-OG1 2.91Å; N647-T650 PolarHBondContact O-N 3.2Å; F648-T650 VanDerWaalsContact C-N 3.28Å; F648-T650 PolarHBondContact O-N 3.49Å |
| 651 | S | 76.7 | Confident | 72.7 | Confident | 27 Ų | 27 | 63.2 Ų | 63.2 | 19% | 0.189 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -76.7 | -38.2 | -176.7 | -79.1 | 0 | 0 | 0 | 0 | 114.4 | N647 F648 R708 | N647-S651 WeakPolarHBondContact O-CB 3.25Å; N647-S651 PolarHBondContact O-N 3.27Å; F648-S651 PolarHBondContact O-N 3.33Å; S651-R708 VanDerWaalsContact O-CD 3.3Å; S651-R708 WeakPolarHBondContact O-CD 3.24Å; S651-R708 PolarHBondContact O-NE 2.94Å; S651-R708 PolarHBondContact OG-NH2 2.98Å |
| 652 | Y | 84.2 | Confident | 71.2 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -112.1 | -9.3 | -164.8 | -54 | -70.8 | 0 | 0 | 0 | 115.5 | F643 F648 V654 L655 L704 E705 R708 | F643-Y652 HydrophobicContact CE1-CE2 4.47Å; F643-Y652 HydrophobicContact CE2-CE2 4.4Å; F643-Y652 HydrophobicContact CZ-CE2 4.33Å; F643-Y652 WeakPolarHBondContact CZ-OH 3.37Å; F648-Y652 HydrophobicContact CB-CD2 4.28Å; F648-Y652 AromaticContact CD1-CD2 3.92Å; F648-Y652 HydrophobicContact CD1-CD2 3.92Å; F648-Y652 AromaticContact CD2-CD2 3.41Å; F648-Y652 HydrophobicContact CD2-CD2 3.41Å; F648-Y652 VanDerWaalsContact CD2-CD2 3.41Å; F648-Y652 AromaticContact CD2-CE2 3.61Å; F648-Y652 HydrophobicContact CD2-CE2 3.61Å; F648-Y652 HydrophobicContact CE1-CD2 4.06Å; F648-Y652 HydrophobicContact CE1-CG 4.42Å; F648-Y652 AromaticContact CE2-CD2 3.59Å; F648-Y652 HydrophobicContact CE2-CD2 3.59Å; F648-Y652 AromaticContact CE2-CE2 3.9Å; F648-Y652 HydrophobicContact CE2-CE2 3.9Å; F648-Y652 HydrophobicContact CE2-CG 4.35Å; F648-Y652 AromaticContact CG-CD2 3.61Å; F648-Y652 HydrophobicContact CG-CD2 3.61Å; F648-Y652 HydrophobicContact CG-CE2 4.17Å; F648-Y652 AromaticContact CZ-CD2 3.92Å; F648-Y652 HydrophobicContact CZ-CD2 3.92Å; F648-Y652 HydrophobicContact CZ-CG 4.31Å; F648-Y652 WeakPolarHBondContact O-CB 3.31Å; F648-Y652 WeakPolarHBondContact O-CD2 3.23Å; F648-Y652 PolarHBondContact O-N 2.77Å; Y652-V654 PolarHBondContact O-N 3.14Å; Y652-L655 HydrophobicContact CD1-CD1 4.37Å; Y652-L655 WeakPolarHBondContact O-CB 3.19Å; Y652-L655 PolarHBondContact O-N 2.97Å; Y652-L704 HydrophobicContact CD1-CD1 3.92Å; Y652-L704 HydrophobicContact CD1-CD2 3.77Å; Y652-L704 HydrophobicContact CD1-CG 3.57Å; Y652-L704 HydrophobicContact CD2-CD2 3.89Å; Y652-L704 HydrophobicContact CE1-CD1 4.46Å; Y652-L704 HydrophobicContact CE1-CD2 3.56Å; Y652-L704 HydrophobicContact CE1-CG 3.61Å; Y652-L704 HydrophobicContact CE2-CD2 3.71Å; Y652-L704 HydrophobicContact CG-CD1 4.09Å; Y652-L704 HydrophobicContact CG-CD2 3.95Å; Y652-L704 HydrophobicContact CG-CG 4.07Å; Y652-E705 HydrophobicContact CE1-CG 4.04Å; Y652-E705 PolarHBondContact OH-OE1 3.46Å; Y652-R708 HydrophobicContact CD1-CB 4.35Å; Y652-R708 HydrophobicContact CD1-CG 4.49Å; Y652-R708 HydrophobicContact CE1-CB 4.5Å; Y652-R708 VanDerWaalsContact CE1-CD 3.43Å |
| 653 | K | 83.4 | Confident | 69.4 | Low | 101 Ų | 101 | 70.8 Ų | 70.8 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -54.7 | -22.5 | 175.9 | 66 | -171.4 | 169.4 | -169 | 0 | 114.5 | A649 L655 L656 L659 V672 | A649-K653 WeakPolarHBondContact O-CB 3.45Å; A649-K653 VanDerWaalsContact O-CD 3.25Å; A649-K653 WeakPolarHBondContact O-CD 3.41Å; A649-K653 WeakPolarHBondContact O-CG 3.13Å; A649-K653 PolarHBondContact O-N 3.22Å; K653-L655 PolarHBondContact O-N 3.08Å; K653-L655 VanDerWaalsContact O-N 3.15Å; K653-L656 PolarHBondContact O-N 3.37Å; K653-L656 VanDerWaalsContact O-N 3.14Å; K653-L659 HydrophobicContact CB-CD1 4.45Å; K653-V672 HydrophobicContact CB-CG1 3.92Å |
| 654 | V | 79.4 | Confident | 67.7 | Low | 64 Ų | 64 | 72.8 Ų | 72.8 | 39% | 0.388 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -63.1 | -13.4 | 175.7 | 78.2 | 0 | 0 | 0 | 0 | 113.7 | Y652 L711 | Y652-V654 PolarHBondContact O-N 3.14Å; V654-L711 HydrophobicContact CG1-CD2 4.42Å; V654-L711 HydrophobicContact CG2-CD2 3.75Å; V654-L711 WeakPolarHBondContact O-CD1 3.35Å |
| 655 | L | 83.4 | Confident | 66.1 | Low | 25 Ų | 25 | 73.5 Ų | 73.5 | 13% | 0.131 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -84.3 | -8.6 | 176.4 | -62.1 | 172.1 | 0 | 0 | 0 | 113.5 | Y652 K653 V676 L680 L704 K707 R708 L711 | Y652-L655 HydrophobicContact CD1-CD1 4.37Å; Y652-L655 WeakPolarHBondContact O-CB 3.19Å; Y652-L655 PolarHBondContact O-N 2.97Å; K653-L655 PolarHBondContact O-N 3.08Å; K653-L655 VanDerWaalsContact O-N 3.15Å; L655-V676 HydrophobicContact CD1-CG1 4.49Å; L655-L680 HydrophobicContact CD1-CD1 3.93Å; L655-L704 HydrophobicContact CD1-CD1 3.98Å; L655-K707 HydrophobicContact CD2-CB 4.06Å; L655-R708 HydrophobicContact CD1-CB 4.46Å; L655-L711 HydrophobicContact CD2-CD1 4.26Å |
| 656 | L | 82.2 | Confident | 64.2 | Low | 37 Ų | 37 | 79.8 Ų | 79.8 | 19% | 0.194 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -89.9 | 127.4 | 174.4 | -62 | 177.1 | 0 | 0 | 0 | 110.9 | K653 L659 V672 Q675 V676 | K653-L656 PolarHBondContact O-N 3.37Å; K653-L656 VanDerWaalsContact O-N 3.14Å; L656-L659 HydrophobicContact CB-CD1 4.06Å; L656-L659 HydrophobicContact CD1-CD1 4.48Å; L656-V672 HydrophobicContact CD1-CG1 4.46Å; L656-Q675 HydrophobicContact CD1-CB 4.43Å; L656-Q675 HydrophobicContact CD2-CB 4.41Å; L656-V676 HydrophobicContact CD1-CG2 4.02Å; L656-V676 HydrophobicContact CD2-CG2 3.98Å; L656-V676 HydrophobicContact CG-CG2 3.77Å |
| 657 | P | 63.7 | Low | 63 | Low | 72 Ų | 72 | 84.1 Ų | 84.1 | 47% | 0.468 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 159.3 | 172.9 | -20.7 | 32.8 | 0 | 0 | 0 | 113.3 | L659 | P657-L659 VanDerWaalsContact C-N 3.28Å; P657-L659 PolarHBondContact O-N 2.92Å; P657-L659 VanDerWaalsContact O-N 3.09Å |
| 658 | N | 59.6 | Low | 63 | Low | 145 Ų | 145 | 86.3 Ų | 86.3 | 78% | 0.775 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 15.2 | 161.4 | -57.4 | -5 | 0 | 0 | 0 | 118.3 | G660 M661 | N658-G660 PolarHBondContact O-N 2.83Å; N658-M661 PolarHBondContact O-N 3.12Å |
| 659 | L | 53 | Low | 62.7 | Low | 88 Ų | 88 | 89.3 Ų | 89.3 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -56 | -16.3 | 172.8 | -106.3 | 152.9 | 0 | 0 | 0 | 115 | K653 L656 P657 M661 L662 | K653-L659 HydrophobicContact CB-CD1 4.45Å; L656-L659 HydrophobicContact CB-CD1 4.06Å; L656-L659 HydrophobicContact CD1-CD1 4.48Å; P657-L659 VanDerWaalsContact C-N 3.28Å; P657-L659 PolarHBondContact O-N 2.92Å; P657-L659 VanDerWaalsContact O-N 3.09Å; L659-M661 PolarHBondContact O-N 2.95Å; L659-M661 VanDerWaalsContact O-N 3.17Å; L659-L662 PolarHBondContact O-N 2.84Å |
| 660 | G | 46.8 | Very low | 62.8 | Low | 82 Ų | 82 | 90.9 Ų | 90.9 | 85% | 0.845 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -66.9 | -5.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | N658 | N658-G660 PolarHBondContact O-N 2.83Š|
| 661 | M | 41.8 | Very low | 63 | Low | 173 Ų | 173 | 91.3 Ų | 91.3 | 85% | 0.852 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -112.1 | 4.2 | 175.1 | -77.5 | -154.4 | 70.9 | 0 | 0 | 114.8 | N658 L659 | N658-M661 PolarHBondContact O-N 3.12Å; L659-M661 PolarHBondContact O-N 2.95Å; L659-M661 VanDerWaalsContact O-N 3.17Å |
| 662 | L | 37.1 | Very low | 63.3 | Low | 121 Ų | 121 | 91.3 Ų | 91.3 | 63% | 0.634 | 51% | 0.507 | S | S | * | . | trans | -109.3 | 75 | -178.2 | -77.3 | 168.7 | 0 | 0 | 0 | 112.5 | L659 V664 | L659-L662 PolarHBondContact O-N 2.84Å; L662-V664 VanDerWaalsContact C-N 3.25Å; L662-V664 PolarHBondContact O-N 2.92Å | ||
| 663 | V | 37.3 | Very low | 63.4 | Low | 143 Ų | 143 | 91.1 Ų | 91.1 | 87% | 0.867 | 51% | 0.506 | S | S | * | . | trans | -78.6 | 75.4 | 166 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 664 | V | 39.8 | Very low | 63.5 | Low | 94 Ų | 94 | 89.2 Ų | 89.2 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | trans | -139.7 | 105 | 175.2 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | L662 L666 | L662-V664 VanDerWaalsContact C-N 3.25Å; L662-V664 PolarHBondContact O-N 2.92Å; V664-L666 HydrophobicContact CG1-CB 4.02Å; V664-L666 PolarHBondContact O-N 2.78Å | ||
| 665 | P | 41.4 | Very low | 63.8 | Low | 131 Ų | 131 | 89 Ų | 89 | 85% | 0.851 | 49% | 0.494 | S | S | * | . | trans | -82.6 | 59.9 | -179 | 35 | -36.1 | 0 | 0 | 0 | 111.7 | ||||
| 666 | L | 41.1 | Very low | 63.9 | Low | 150 Ų | 150 | 87.9 Ų | 87.9 | 79% | 0.785 | 49% | 0.488 | S | S | * | . | trans | -154.5 | 27.6 | -169.1 | -116.7 | 164.6 | 0 | 0 | 0 | 116.2 | V664 | V664-L666 HydrophobicContact CG1-CB 4.02Å; V664-L666 PolarHBondContact O-N 2.78Å | ||
| 667 | K | 51.9 | Low | 64.1 | Low | 140 Ų | 140 | 86.1 Ų | 86.1 | 61% | 0.609 | 48% | 0.479 | S | S | * | . | trans | -126.1 | 138.3 | 170.4 | -71.7 | -160.1 | 175.2 | -167.9 | 0 | 112.4 | W671 | K667-W671 HydrophobicContact CB-CE3 4.34Å; K667-W671 HydrophobicContact CD-CD2 3.99Å; K667-W671 HydrophobicContact CD-CE3 3.5Å; K667-W671 VanDerWaalsContact CD-CE3 3.5Å; K667-W671 HydrophobicContact CD-CH2 4.04Å; K667-W671 HydrophobicContact CD-CZ2 4.46Å; K667-W671 HydrophobicContact CD-CZ3 3.53Å; K667-W671 VanDerWaalsContact NZ-CH2 3.32Å; K667-W671 VanDerWaalsContact NZ-CZ2 3.3Å | ||
| 668 | N | 75.1 | Confident | 65.1 | Low | 119 Ų | 119 | 86.7 Ų | 86.7 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | trans | -79.4 | 146.2 | -172.6 | -170.8 | -6.4 | 0 | 0 | 0 | 112.4 | C670 W671 V672 | N668-C670 PolarHBondContact O-N 2.81Å; N668-W671 WeakPolarHBondContact O-CB 3.46Å; N668-W671 PolarHBondContact O-N 3.13Å; N668-V672 PolarHBondContact O-N 2.66Å | ||
| 669 | D | 79.9 | Confident | 66.2 | Low | 64 Ų | 64 | 87.1 Ų | 87.1 | 34% | 0.342 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.1 | -31.3 | -177.1 | -72.8 | -33.6 | 0 | 0 | 0 | 113.6 | F645 S646 A649 W671 V672 T673 | F645-D669 HydrophobicContact CB-CB 3.88Å; S646-D669 WeakPolarHBondContact CA-OD2 3.44Å; A649-D669 HydrophobicContact CB-CB 3.98Å; D669-W671 VanDerWaalsContact C-N 3.33Å; D669-W671 PolarHBondContact O-N 3.43Å; D669-V672 PolarHBondContact O-N 3.45Å; D669-T673 WeakPolarHBondContact O-CB 3.25Å; D669-T673 PolarHBondContact O-N 3.23Å; D669-T673 PolarHBondContact O-OG1 2.97Å |
| 670 | C | 82.9 | Confident | 67.7 | Low | 36 Ų | 36 | 84.8 Ų | 84.8 | 24% | 0.243 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 174.9 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | F645 N668 T673 E674 | F645-C670 HydrophobicContact CD1-CB 4.33Å; F645-C670 HydrophobicContact CD2-CB 3.86Å; F645-C670 HydrophobicContact CE1-CB 4.44Å; F645-C670 HydrophobicContact CE2-CB 3.97Å; F645-C670 HydrophobicContact CG-CB 4.06Å; F645-C670 HydrophobicContact CZ-CB 4.27Å; F645-C670 VanDerWaalsContact CZ-SG 3.57Å; N668-C670 PolarHBondContact O-N 2.81Å; C670-T673 WeakPolarHBondContact O-CB 3.34Å; C670-T673 PolarHBondContact O-N 2.74Å; C670-E674 PolarHBondContact O-N 2.8Å |
| 671 | W | 83.2 | Confident | 69.4 | Low | 101 Ų | 101 | 82.6 Ų | 82.6 | 38% | 0.383 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.7 | -38.7 | 178.4 | -176.8 | 78.4 | 0 | 0 | 0 | 111.7 | K667 N668 D669 T673 E674 Q675 | K667-W671 HydrophobicContact CB-CE3 4.34Å; K667-W671 HydrophobicContact CD-CD2 3.99Å; K667-W671 HydrophobicContact CD-CE3 3.5Å; K667-W671 VanDerWaalsContact CD-CE3 3.5Å; K667-W671 HydrophobicContact CD-CH2 4.04Å; K667-W671 HydrophobicContact CD-CZ2 4.46Å; K667-W671 HydrophobicContact CD-CZ3 3.53Å; K667-W671 VanDerWaalsContact NZ-CH2 3.32Å; K667-W671 VanDerWaalsContact NZ-CZ2 3.3Å; N668-W671 WeakPolarHBondContact O-CB 3.46Å; N668-W671 PolarHBondContact O-N 3.13Å; D669-W671 VanDerWaalsContact C-N 3.33Å; D669-W671 PolarHBondContact O-N 3.43Å; W671-T673 VanDerWaalsContact C-N 3.26Å; W671-T673 PolarHBondContact O-N 3.38Å; W671-E674 PolarHBondContact O-N 3.15Å; W671-Q675 HydrophobicContact CD2-CG 4.02Å; W671-Q675 HydrophobicContact CE3-CG 4.32Å; W671-Q675 HydrophobicContact CH2-CG 4.01Å; W671-Q675 HydrophobicContact CZ2-CG 3.68Å; W671-Q675 HydrophobicContact CZ3-CG 4.32Å; W671-Q675 VanDerWaalsContact O-CG 3.29Å; W671-Q675 WeakPolarHBondContact O-CG 3.38Å; W671-Q675 PolarHBondContact O-N 3.47Å |
| 672 | V | 82.7 | Confident | 71 | Confident | 27 Ų | 27 | 75.7 Ų | 75.7 | 16% | 0.164 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 173.6 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | A649 K653 L656 N668 D669 V676 | A649-V672 HydrophobicContact CB-CB 4.07Å; A649-V672 HydrophobicContact CB-CG1 3.93Å; K653-V672 HydrophobicContact CB-CG1 3.92Å; L656-V672 HydrophobicContact CD1-CG1 4.46Å; N668-V672 PolarHBondContact O-N 2.66Å; D669-V672 PolarHBondContact O-N 3.45Å; V672-V676 WeakPolarHBondContact O-CG2 3.2Å; V672-V676 PolarHBondContact O-N 2.77Å |
| 673 | T | 85.8 | Confident | 72.2 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.4 | -50.7 | 176.7 | -60.4 | 0 | 0 | 0 | 0 | 111.8 | F645 F648 D669 C670 W671 Q675 V676 C677 L689 V694 | F645-T673 HydrophobicContact CD1-CG2 3.88Å; F645-T673 HydrophobicContact CE1-CG2 4.21Å; F648-T673 HydrophobicContact CB-CG2 4.39Å; F648-T673 HydrophobicContact CD1-CG2 3.38Å; F648-T673 WeakPolarHBondContact CD1-OG1 3.49Å; F648-T673 HydrophobicContact CE1-CG2 3.67Å; F648-T673 HydrophobicContact CG-CG2 3.85Å; F648-T673 HydrophobicContact CZ-CG2 4.35Å; D669-T673 WeakPolarHBondContact O-CB 3.25Å; D669-T673 PolarHBondContact O-N 3.23Å; D669-T673 PolarHBondContact O-OG1 2.97Å; C670-T673 WeakPolarHBondContact O-CB 3.34Å; C670-T673 PolarHBondContact O-N 2.74Å; W671-T673 VanDerWaalsContact C-N 3.26Å; W671-T673 PolarHBondContact O-N 3.38Å; T673-Q675 PolarHBondContact O-N 2.86Å; T673-V676 PolarHBondContact O-N 3.01Å; T673-C677 PolarHBondContact O-N 3.22Å; T673-C677 PolarHBondContact O-SG 2.95Å; T673-L689 HydrophobicContact CG2-CD2 4.02Å; T673-V694 HydrophobicContact CG2-CB 3.54Å; T673-V694 HydrophobicContact CG2-CG1 3.61Å; T673-V694 HydrophobicContact CG2-CG2 3.93Å |
| 674 | E | 85.7 | Confident | 73.5 | Confident | 61 Ų | 61 | 72.9 Ų | 72.9 | 29% | 0.285 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -54.5 | -47.9 | 176.4 | -179.3 | 179.5 | -145.7 | 0 | 0 | 112.3 | C670 W671 V676 C677 Q678 L689 | C670-E674 PolarHBondContact O-N 2.8Å; W671-E674 PolarHBondContact O-N 3.15Å; E674-V676 VanDerWaalsContact C-N 3.3Å; E674-V676 PolarHBondContact O-N 3.09Å; E674-C677 PolarHBondContact O-N 3.42Å; E674-C677 VanDerWaalsContact O-N 3.15Å; E674-Q678 HydrophobicContact CG-CG 4.3Å; E674-Q678 PolarHBondContact O-N 2.71Å; E674-Q678 PolarHBondContact OE1-NE2 2.92Å; E674-L689 HydrophobicContact CB-CD1 3.82Å; E674-L689 HydrophobicContact CG-CD1 3.96Å |
| 675 | Q | 85 | Confident | 75 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 28% | 0.28 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.7 | -29.3 | -178.7 | -69.3 | -61.3 | -73.2 | 0 | 0 | 113.5 | L656 W671 T673 R679 | L656-Q675 HydrophobicContact CD1-CB 4.43Å; L656-Q675 HydrophobicContact CD2-CB 4.41Å; W671-Q675 HydrophobicContact CD2-CG 4.02Å; W671-Q675 HydrophobicContact CE3-CG 4.32Å; W671-Q675 HydrophobicContact CH2-CG 4.01Å; W671-Q675 HydrophobicContact CZ2-CG 3.68Å; W671-Q675 HydrophobicContact CZ3-CG 4.32Å; W671-Q675 VanDerWaalsContact O-CG 3.29Å; W671-Q675 WeakPolarHBondContact O-CG 3.38Å; W671-Q675 PolarHBondContact O-N 3.47Å; T673-Q675 PolarHBondContact O-N 2.86Å; Q675-R679 WeakPolarHBondContact O-CB 3.47Å; Q675-R679 PolarHBondContact O-N 3.49Å |
| 676 | V | 86.1 | Confident | 76.8 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.012 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.3 | -43.4 | 171.5 | 167.8 | 0 | 0 | 0 | 0 | 110.7 | F648 L655 L656 V672 T673 E674 R679 L680 L704 | F648-V676 HydrophobicContact CE1-CB 3.94Å; F648-V676 HydrophobicContact CE1-CG1 3.78Å; F648-V676 HydrophobicContact CZ-CG1 3.97Å; L655-V676 HydrophobicContact CD1-CG1 4.49Å; L656-V676 HydrophobicContact CD1-CG2 4.02Å; L656-V676 HydrophobicContact CD2-CG2 3.98Å; L656-V676 HydrophobicContact CG-CG2 3.77Å; V672-V676 WeakPolarHBondContact O-CG2 3.2Å; V672-V676 PolarHBondContact O-N 2.77Å; T673-V676 PolarHBondContact O-N 3.01Å; E674-V676 VanDerWaalsContact C-N 3.3Å; E674-V676 PolarHBondContact O-N 3.09Å; V676-R679 PolarHBondContact O-N 3.41Å; V676-L680 HydrophobicContact CG1-CD1 3.88Å; V676-L680 WeakPolarHBondContact O-CG 3.41Å; V676-L680 PolarHBondContact O-N 3.03Å; V676-L704 HydrophobicContact CG1-CD1 3.87Å |
| 677 | C | 86.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.1 | -50.6 | 179.9 | -69.3 | 0 | 0 | 0 | 0 | 112.6 | T673 E674 R679 L680 F681 Y687 | T673-C677 PolarHBondContact O-N 3.22Å; T673-C677 PolarHBondContact O-SG 2.95Å; E674-C677 PolarHBondContact O-N 3.42Å; E674-C677 VanDerWaalsContact O-N 3.15Å; C677-R679 PolarHBondContact O-N 3.37Å; C677-L680 PolarHBondContact O-N 3.48Å; C677-L680 VanDerWaalsContact O-N 3.07Å; C677-F681 HydrophobicContact CB-CD2 3.99Å; C677-F681 HydrophobicContact CB-CE2 4.23Å; C677-F681 WeakPolarHBondContact O-CD2 3.37Å; C677-F681 PolarHBondContact O-N 3.36Å; C677-Y687 HydrophobicContact CB-CD1 3.92Å; C677-Y687 HydrophobicContact CB-CD2 3.57Å; C677-Y687 HydrophobicContact CB-CE1 3.88Å; C677-Y687 HydrophobicContact CB-CE2 3.52Å; C677-Y687 HydrophobicContact CB-CG 3.78Å |
| 678 | Q | 85.1 | Confident | 80.4 | Confident | 84 Ų | 84 | 55.7 Ų | 55.7 | 39% | 0.393 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54.3 | -41 | 175.8 | -74.3 | -178.8 | -8.3 | 0 | 0 | 111.8 | E674 L680 G682 Y687 | E674-Q678 HydrophobicContact CG-CG 4.3Å; E674-Q678 PolarHBondContact O-N 2.71Å; E674-Q678 PolarHBondContact OE1-NE2 2.92Å; Q678-L680 VanDerWaalsContact C-N 3.31Å; Q678-L680 PolarHBondContact O-N 3.38Å; Q678-G682 WeakPolarHBondContact O-CA 3.08Å; Q678-G682 PolarHBondContact O-N 3.3Å; Q678-G682 VanDerWaalsContact O-N 3.13Å; Q678-Y687 VanDerWaalsContact CG-OH 3.31Å; Q678-Y687 WeakPolarHBondContact CG-OH 3.33Å |
| 679 | R | 83.2 | Confident | 80.8 | Confident | 153 Ų | 153 | 52.5 Ų | 52.5 | 58% | 0.577 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -68.4 | -24.3 | -179.6 | -177.7 | 175.6 | -176.9 | 76 | 11 | 114.3 | Q675 V676 C677 | Q675-R679 WeakPolarHBondContact O-CB 3.47Å; Q675-R679 PolarHBondContact O-N 3.49Å; V676-R679 PolarHBondContact O-N 3.41Å; C677-R679 PolarHBondContact O-N 3.37Å |
| 680 | L | 83.4 | Confident | 80.8 | Confident | 40 Ų | 40 | 50.1 Ų | 50.1 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -108.3 | -30.3 | -173.4 | -71.1 | 171.4 | 0 | 0 | 0 | 113.9 | L655 V676 C677 Q678 L704 K707 | L655-L680 HydrophobicContact CD1-CD1 3.93Å; V676-L680 HydrophobicContact CG1-CD1 3.88Å; V676-L680 WeakPolarHBondContact O-CG 3.41Å; V676-L680 PolarHBondContact O-N 3.03Å; C677-L680 PolarHBondContact O-N 3.48Å; C677-L680 VanDerWaalsContact O-N 3.07Å; Q678-L680 VanDerWaalsContact C-N 3.31Å; Q678-L680 PolarHBondContact O-N 3.38Å; L680-L704 HydrophobicContact CD1-CD1 3.56Å; L680-K707 HydrophobicContact CD2-CD 4.29Å; L680-K707 HydrophobicContact CD2-CG 4.17Å |
| 681 | F | 82.9 | Confident | 80.5 | Confident | 35 Ų | 35 | 56.8 Ų | 56.8 | 15% | 0.154 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -120.3 | -17.8 | -173 | -44 | -54.6 | 0 | 0 | 0 | 113.6 | C677 E686 Y687 L696 A700 L703 L704 | C677-F681 HydrophobicContact CB-CD2 3.99Å; C677-F681 HydrophobicContact CB-CE2 4.23Å; C677-F681 WeakPolarHBondContact O-CD2 3.37Å; C677-F681 PolarHBondContact O-N 3.36Å; F681-E686 HydrophobicContact CB-CB 4.12Å; F681-E686 HydrophobicContact CG-CB 4.44Å; F681-Y687 HydrophobicContact CB-CD1 4.12Å; F681-Y687 HydrophobicContact CB-CE1 4.47Å; F681-Y687 AromaticContact CD2-CD1 3.87Å; F681-Y687 HydrophobicContact CD2-CD1 3.87Å; F681-Y687 HydrophobicContact CD2-CG 4.34Å; F681-Y687 HydrophobicContact CG-CD1 4.46Å; F681-L696 HydrophobicContact CE2-CD2 3.86Å; F681-L696 HydrophobicContact CZ-CD2 4.38Å; F681-A700 HydrophobicContact CD1-CB 4.01Å; F681-A700 HydrophobicContact CE1-CB 3.69Å; F681-A700 VanDerWaalsContact CE1-O 3.3Å; F681-A700 WeakPolarHBondContact CE1-O 3.34Å; F681-A700 HydrophobicContact CE2-CB 4.36Å; F681-A700 HydrophobicContact CG-CB 4.48Å; F681-A700 HydrophobicContact CZ-CB 3.88Å; F681-A700 VanDerWaalsContact CZ-O 3.28Å; F681-A700 WeakPolarHBondContact CZ-O 3.25Å; F681-L703 HydrophobicContact CD1-CD2 4.36Å; F681-L703 HydrophobicContact CE1-CB 4.48Å; F681-L703 HydrophobicContact CE1-CD2 4.2Å; F681-L704 HydrophobicContact CZ-CB 4.2Å; F681-L704 HydrophobicContact CZ-CD1 4.44Å |
| 682 | G | 74.5 | Confident | 80.1 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | trans | 81.8 | -135.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q678 | Q678-G682 WeakPolarHBondContact O-CA 3.08Å; Q678-G682 PolarHBondContact O-N 3.3Å; Q678-G682 VanDerWaalsContact O-N 3.13Å | ||
| 683 | P | 63.9 | Low | 80 | Confident | 107 Ų | 107 | 56.5 Ų | 56.5 | 70% | 0.695 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -67.5 | 161.7 | -179.1 | 29.3 | -34.4 | 0 | 0 | 0 | 112.8 | ||
| 684 | P | 63.2 | Low | 80 | Confident | 98 Ų | 98 | 56.5 Ų | 56.5 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 142.5 | -179.8 | 26.4 | -35 | 0 | 0 | 0 | 112.4 | ||
| 685 | G | 72.8 | Confident | 79.8 | Confident | 31 Ų | 31 | 53.6 Ų | 53.6 | 32% | 0.32 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 150 | -40.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y687 K697 | G685-Y687 PolarHBondContact N-O 3.22Å; G685-K697 VanDerWaalsContact O-CE 3.29Å; G685-K697 WeakPolarHBondContact O-CE 3.47Å |
| 686 | E | 77.9 | Confident | 79.6 | Confident | 82 Ų | 82 | 50.7 Ų | 50.7 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -84.7 | -19.4 | 165.6 | -77.6 | -56.6 | 126.9 | 0 | 0 | 112.6 | F681 K697 A700 | F681-E686 HydrophobicContact CB-CB 4.12Å; F681-E686 HydrophobicContact CG-CB 4.44Å; E686-K697 PolarHBondContact O-N 2.8Å; E686-A700 HydrophobicContact CB-CB 4.11Å |
| 687 | Y | 85.7 | Confident | 79.3 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 160.4 | 177.2 | 79 | -80.6 | 0 | 0 | 0 | 112 | C677 Q678 F681 G685 L689 F695 | C677-Y687 HydrophobicContact CB-CD1 3.92Å; C677-Y687 HydrophobicContact CB-CD2 3.57Å; C677-Y687 HydrophobicContact CB-CE1 3.88Å; C677-Y687 HydrophobicContact CB-CE2 3.52Å; C677-Y687 HydrophobicContact CB-CG 3.78Å; Q678-Y687 VanDerWaalsContact CG-OH 3.31Å; Q678-Y687 WeakPolarHBondContact CG-OH 3.33Å; F681-Y687 HydrophobicContact CB-CD1 4.12Å; F681-Y687 HydrophobicContact CB-CE1 4.47Å; F681-Y687 AromaticContact CD2-CD1 3.87Å; F681-Y687 HydrophobicContact CD2-CD1 3.87Å; F681-Y687 HydrophobicContact CD2-CG 4.34Å; F681-Y687 HydrophobicContact CG-CD1 4.46Å; G685-Y687 PolarHBondContact N-O 3.22Å; Y687-L689 HydrophobicContact CE2-CG 4.31Å; Y687-F695 CarbonylContact C-O 3.58Å; Y687-F695 WeakPolarHBondContact CA-O 3.46Å; Y687-F695 WeakPolarHBondContact CB-O 3.46Å |
| 688 | Q | 83.3 | Confident | 78.3 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 15% | 0.145 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 163.9 | 164.6 | -82.7 | -167.9 | 21.2 | 0 | 0 | 112.2 | I447 D448 Y639 V694 F695 | I447-Q688 HydrophobicContact CG2-CB 4.43Å; D448-Q688 PolarHBondContact O-NE2 3.13Å; D448-Q688 PolarHBondContact O-OE1 3.05Å; Y639-Q688 HydrophobicContact CE1-CG 4.5Å; Y639-Q688 HydrophobicContact CE2-CB 4.32Å; Y639-Q688 HydrophobicContact CE2-CG 4.06Å; Y639-Q688 PolarHBondContact OH-NE2 3.35Å; Q688-V694 WeakPolarHBondContact O-CG2 3.32Å; Q688-F695 PolarHBondContact N-O 3.47Å; Q688-F695 PolarHBondContact O-N 3.49Å |
| 689 | L | 82.9 | Confident | 77.6 | Confident | 52 Ų | 52 | 53.9 Ų | 53.9 | 27% | 0.272 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 115.6 | 178.5 | -57.2 | 171.4 | 0 | 0 | 0 | 108.8 | F645 T673 E674 Y687 V694 | F645-L689 HydrophobicContact CE1-CD2 3.85Å; F645-L689 HydrophobicContact CZ-CB 4.4Å; T673-L689 HydrophobicContact CG2-CD2 4.02Å; E674-L689 HydrophobicContact CB-CD1 3.82Å; E674-L689 HydrophobicContact CG-CD1 3.96Å; Y687-L689 HydrophobicContact CE2-CG 4.31Å; L689-V694 HydrophobicContact CD2-CB 4.04Å; L689-V694 HydrophobicContact CD2-CG2 3.91Å |
| 690 | G | 80 | Confident | 77.3 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | trans | -87.1 | -163 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E445 F645 R693 | E445-G690 CarbonylContact O-C 3.56Å; E445-G690 WeakPolarHBondContact O-CA 3.28Å; F645-G690 WeakPolarHBondContact CZ-O 3.39Å; G690-R693 WeakPolarHBondContact CA-O 3.4Å; G690-R693 PolarHBondContact N-O 2.69Å | ||
| 691 | R | 77 | Confident | 76.7 | Confident | 176 Ų | 176 | 45.4 Ų | 45.4 | 66% | 0.664 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -70.9 | -35.8 | 178.6 | -80.4 | 178.8 | 147.6 | -170.9 | -9.5 | 114.5 | E445 | E445-R691 PolarHBondContact O-N 2.94Å; E445-R691 PolarHBondContact OE2-N 3.43Å |
| 692 | T | 75.4 | Confident | 76.1 | Confident | 70 Ų | 70 | 46 Ų | 46 | 43% | 0.429 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -131.1 | -8.6 | -177.8 | 83.5 | 0 | 0 | 0 | 0 | 113.8 | E445 F645 | E445-T692 PolarHBondContact OE1-OG1 2.83Å; E445-T692 PolarHBondContact OE2-N 2.92Å; F645-T692 VanDerWaalsContact CD2-C 3.42Å; F645-T692 WeakPolarHBondContact CD2-O 3.31Å; F645-T692 VanDerWaalsContact CE2-C 3.42Å; F645-T692 PolarHBondContact N-O 2.99Å; F645-T692 VanDerWaalsContact N-O 3.15Å |
| 693 | R | 80.8 | Confident | 76.4 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 151.7 | -172.9 | -49.6 | -168.7 | -164.5 | 173.9 | 12.5 | 113.2 | E441 E445 F643 K644 F645 G690 F695 | E441-R693 IonicContact OE1-CZ 3.97Å; E441-R693 IonicContact OE1-NH1 3.69Å; E441-R693 PolarHBondContact OE1-NH1 3.11Å; E441-R693 IonicContact OE1-NH2 3.41Å; E441-R693 PolarHBondContact OE1-NH2 2.96Å; E441-R693 IonicContact OE2-CZ 2.87Å; E441-R693 IonicContact OE2-NH1 3.62Å; E441-R693 PolarHBondContact OE2-NH1 3.43Å; E445-R693 IonicContact OE1-NE 2.9Å; E445-R693 PolarHBondContact OE2-N 3.18Å; F643-R693 CarbonylContact O-C 3.56Å; F643-R693 WeakPolarHBondContact O-CA 3.38Å; F643-R693 VanDerWaalsContact O-CB 3.24Å; F643-R693 WeakPolarHBondContact O-CB 3.35Å; K644-R693 HydrophobicContact CG-CG 4.33Å; F645-R693 WeakPolarHBondContact CE1-O 3.36Å; F645-R693 WeakPolarHBondContact CZ-O 3.44Å; G690-R693 WeakPolarHBondContact CA-O 3.4Å; G690-R693 PolarHBondContact N-O 2.69Å; R693-F695 HydrophobicContact CB-CD2 4.33Å; R693-F695 HydrophobicContact CB-CE2 3.73Å; R693-F695 HydrophobicContact CB-CZ 4.18Å |
| 694 | V | 85.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 143.1 | 160.1 | 58.8 | 0 | 0 | 0 | 0 | 109.7 | R642 F643 F645 F648 T673 Q688 L689 L696 | R642-V694 WeakPolarHBondContact CA-O 3.39Å; F643-V694 HydrophobicContact CB-CG1 3.94Å; F643-V694 PolarHBondContact N-O 3.13Å; F643-V694 PolarHBondContact O-N 3.17Å; F645-V694 HydrophobicContact CD1-CB 4.41Å; F645-V694 HydrophobicContact CE1-CB 4.1Å; F648-V694 HydrophobicContact CB-CG1 4.05Å; F648-V694 HydrophobicContact CD1-CG1 4.44Å; F648-V694 HydrophobicContact CD2-CG1 3.39Å; F648-V694 HydrophobicContact CE2-CG1 3.86Å; F648-V694 HydrophobicContact CG-CG1 3.7Å; T673-V694 HydrophobicContact CG2-CB 3.54Å; T673-V694 HydrophobicContact CG2-CG1 3.61Å; T673-V694 HydrophobicContact CG2-CG2 3.93Å; Q688-V694 WeakPolarHBondContact O-CG2 3.32Å; L689-V694 HydrophobicContact CD2-CB 4.04Å; L689-V694 HydrophobicContact CD2-CG2 3.91Å; V694-L696 HydrophobicContact CG2-CD2 4.29Å; V694-L696 HydrophobicContact CG2-CG 4.39Å |
| 695 | F | 81.5 | Confident | 77.6 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.4 | -178.1 | -75.7 | -86.9 | 0 | 0 | 0 | 108.8 | Y442 E445 I447 Y639 R642 Y687 Q688 R693 | Y442-F695 HydrophobicContact CD1-CD1 4.37Å; Y442-F695 AromaticContact CD1-CE1 3.93Å; Y442-F695 HydrophobicContact CD1-CE1 3.93Å; Y442-F695 HydrophobicContact CE1-CD1 4.18Å; Y442-F695 HydrophobicContact CE1-CE1 4.01Å; E445-F695 HydrophobicContact CB-CE2 3.8Å; E445-F695 HydrophobicContact CB-CZ 3.95Å; E445-F695 HydrophobicContact CG-CE2 4Å; E445-F695 HydrophobicContact CG-CZ 3.9Å; I447-F695 HydrophobicContact CD1-CD1 3.57Å; I447-F695 HydrophobicContact CD1-CD2 3.71Å; I447-F695 HydrophobicContact CD1-CE1 3.5Å; I447-F695 VanDerWaalsContact CD1-CE1 3.5Å; I447-F695 HydrophobicContact CD1-CE2 3.65Å; I447-F695 HydrophobicContact CD1-CG 3.68Å; I447-F695 HydrophobicContact CD1-CZ 3.55Å; I447-F695 HydrophobicContact CG1-CD2 3.97Å; I447-F695 HydrophobicContact CG1-CE2 3.96Å; I447-F695 HydrophobicContact CG1-CG 4.33Å; I447-F695 HydrophobicContact CG1-CZ 4.31Å; Y639-F695 HydrophobicContact CD2-CB 4.45Å; Y639-F695 HydrophobicContact CG-CB 4.05Å; R642-F695 HydrophobicContact CB-CD1 4.13Å; R642-F695 HydrophobicContact CB-CE1 3.89Å; R642-F695 HydrophobicContact CG-CD1 4.03Å; R642-F695 HydrophobicContact CG-CE1 3.78Å; Y687-F695 CarbonylContact C-O 3.58Å; Y687-F695 WeakPolarHBondContact CA-O 3.46Å; Y687-F695 WeakPolarHBondContact CB-O 3.46Å; Q688-F695 PolarHBondContact N-O 3.47Å; Q688-F695 PolarHBondContact O-N 3.49Å; R693-F695 HydrophobicContact CB-CD2 4.33Å; R693-F695 HydrophobicContact CB-CE2 3.73Å; R693-F695 HydrophobicContact CB-CZ 4.18Å |
| 696 | L | 81 | Confident | 77.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 147.4 | -171 | -62.4 | 166.7 | 0 | 0 | 0 | 110.8 | Y639 V641 F643 F648 F681 V694 A700 A701 L704 | Y639-L696 CarbonylContact C-O 3.58Å; Y639-L696 VanDerWaalsContact C-O 3.29Å; Y639-L696 WeakPolarHBondContact CA-O 3.34Å; V641-L696 HydrophobicContact CB-CB 4.14Å; V641-L696 HydrophobicContact CG1-CB 4.47Å; V641-L696 HydrophobicContact CG1-CD1 4.32Å; V641-L696 PolarHBondContact N-O 2.92Å; V641-L696 VanDerWaalsContact N-O 3.16Å; V641-L696 PolarHBondContact O-N 2.77Å; F643-L696 HydrophobicContact CD2-CD1 3.86Å; F643-L696 HydrophobicContact CE2-CD1 3.8Å; F648-L696 HydrophobicContact CE2-CD1 4.17Å; F681-L696 HydrophobicContact CE2-CD2 3.86Å; F681-L696 HydrophobicContact CZ-CD2 4.38Å; V694-L696 HydrophobicContact CG2-CD2 4.29Å; V694-L696 HydrophobicContact CG2-CG 4.39Å; L696-A700 HydrophobicContact CD2-CB 4.39Å; L696-A701 HydrophobicContact CB-CB 4.3Å; L696-A701 HydrophobicContact CD1-CB 4.17Å; L696-L704 HydrophobicContact CD1-CD2 4.15Å |
| 697 | K | 77.8 | Confident | 77.8 | Confident | 62 Ų | 62 | 42.3 Ų | 42.3 | 27% | 0.27 | 22% | 0.215 | S | C | . | . | trans | -75.5 | 157.3 | 161.6 | -63.1 | -167.1 | 176 | -172.7 | 0 | 110.8 | Y639 G685 E686 G699 A700 A701 | Y639-K697 HydrophobicContact CD1-CG 3.92Å; Y639-K697 HydrophobicContact CE1-CG 4.2Å; G685-K697 VanDerWaalsContact O-CE 3.29Å; G685-K697 WeakPolarHBondContact O-CE 3.47Å; E686-K697 PolarHBondContact O-N 2.8Å; K697-G699 VanDerWaalsContact C-N 3.33Å; K697-G699 PolarHBondContact O-N 2.66Å; K697-A700 PolarHBondContact O-N 3.18Å; K697-A701 PolarHBondContact O-N 3.04Å | ||
| 698 | D | 66.5 | Low | 77.6 | Confident | 42 Ų | 42 | 44.1 Ų | 44.1 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.8 | -41.4 | -175.7 | -70.2 | -50.9 | 0 | 0 | 0 | 112.4 | S92 P640 V641 A701 L702 | S92-D698 WeakPolarHBondContact CA-OD2 3.38Å; S92-D698 WeakPolarHBondContact CB-OD2 3.29Å; S92-D698 PolarHBondContact OG-OD1 3.49Å; S92-D698 PolarHBondContact OG-OD2 3.2Å; P640-D698 WeakPolarHBondContact CG-OD2 3.39Å; V641-D698 WeakPolarHBondContact CG2-OD1 3.03Å; D698-A701 PolarHBondContact O-N 3.48Å; D698-L702 WeakPolarHBondContact O-CB 3.28Å; D698-L702 PolarHBondContact O-N 3.39Å |
| 699 | G | 70.6 | Confident | 76.8 | Confident | 49 Ų | 49 | 44.1 Ų | 44.1 | 51% | 0.505 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K697 L702 L703 | K697-G699 VanDerWaalsContact C-N 3.33Å; K697-G699 PolarHBondContact O-N 2.66Å; G699-L702 PolarHBondContact O-N 3.23Å; G699-L703 WeakPolarHBondContact O-CB 3.43Å; G699-L703 PolarHBondContact O-N 2.87Å |
| 700 | A | 77 | Confident | 76.6 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F681 E686 L696 K697 L703 L704 | F681-A700 HydrophobicContact CD1-CB 4.01Å; F681-A700 HydrophobicContact CE1-CB 3.69Å; F681-A700 VanDerWaalsContact CE1-O 3.3Å; F681-A700 WeakPolarHBondContact CE1-O 3.34Å; F681-A700 HydrophobicContact CE2-CB 4.36Å; F681-A700 HydrophobicContact CG-CB 4.48Å; F681-A700 HydrophobicContact CZ-CB 3.88Å; F681-A700 VanDerWaalsContact CZ-O 3.28Å; F681-A700 WeakPolarHBondContact CZ-O 3.25Å; E686-A700 HydrophobicContact CB-CB 4.11Å; L696-A700 HydrophobicContact CD2-CB 4.39Å; K697-A700 PolarHBondContact O-N 3.18Å; A700-L703 PolarHBondContact O-N 3.43Å; A700-L704 WeakPolarHBondContact O-CB 3.27Å; A700-L704 PolarHBondContact O-N 2.86Å |
| 701 | A | 71.1 | Confident | 76.6 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V641 L696 K697 D698 L704 E705 | V641-A701 HydrophobicContact CB-CB 3.92Å; V641-A701 HydrophobicContact CG1-CB 3.76Å; V641-A701 HydrophobicContact CG2-CB 3.84Å; L696-A701 HydrophobicContact CB-CB 4.3Å; L696-A701 HydrophobicContact CD1-CB 4.17Å; K697-A701 PolarHBondContact O-N 3.04Å; D698-A701 PolarHBondContact O-N 3.48Å; A701-L704 WeakPolarHBondContact O-CB 3.2Å; A701-L704 PolarHBondContact O-N 2.94Å; A701-E705 PolarHBondContact O-N 2.91Å |
| 702 | L | 70.5 | Confident | 76.5 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 25% | 0.251 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 174.7 | -178.3 | 61.8 | 0 | 0 | 0 | 110.9 | E122 D698 G699 L704 E705 Q706 | E122-L702 HydrophobicContact CG-CD1 4.26Å; D698-L702 WeakPolarHBondContact O-CB 3.28Å; D698-L702 PolarHBondContact O-N 3.39Å; G699-L702 PolarHBondContact O-N 3.23Å; L702-L704 PolarHBondContact O-N 3.28Å; L702-E705 PolarHBondContact O-N 3.48Å; L702-Q706 HydrophobicContact CD1-CG 4.43Å; L702-Q706 WeakPolarHBondContact O-CB 3.25Å; L702-Q706 VanDerWaalsContact O-CG 3.31Å; L702-Q706 WeakPolarHBondContact O-CG 3.49Å; L702-Q706 PolarHBondContact O-N 2.93Å |
| 703 | L | 79.2 | Confident | 76.4 | Confident | 60 Ų | 60 | 49.3 Ų | 49.3 | 31% | 0.314 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 177.2 | -178.4 | 61.6 | 0 | 0 | 0 | 112.2 | F681 G699 A700 E705 Q706 K707 | F681-L703 HydrophobicContact CD1-CD2 4.36Å; F681-L703 HydrophobicContact CE1-CB 4.48Å; F681-L703 HydrophobicContact CE1-CD2 4.2Å; G699-L703 WeakPolarHBondContact O-CB 3.43Å; G699-L703 PolarHBondContact O-N 2.87Å; A700-L703 PolarHBondContact O-N 3.43Å; L703-E705 VanDerWaalsContact C-N 3.35Å; L703-E705 PolarHBondContact O-N 2.89Å; L703-Q706 PolarHBondContact O-N 3.28Å; L703-K707 VanDerWaalsContact CD1-CE 3.45Å; L703-K707 HydrophobicContact CD1-CG 4.24Å; L703-K707 HydrophobicContact CG-CG 4.46Å; L703-K707 WeakPolarHBondContact O-CB 3.46Å; L703-K707 WeakPolarHBondContact O-CG 3.16Å; L703-K707 PolarHBondContact O-N 3.21Å |
| 704 | L | 81.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -54.9 | -49.8 | 175.9 | -177.1 | 71.8 | 0 | 0 | 0 | 111.6 | F648 Y652 L655 V676 L680 F681 L696 A700 A701 L702 K707 R708 | F648-L704 HydrophobicContact CD2-CD2 4.35Å; F648-L704 HydrophobicContact CE2-CD1 4.43Å; F648-L704 HydrophobicContact CE2-CD2 3.39Å; F648-L704 HydrophobicContact CZ-CD1 3.98Å; F648-L704 HydrophobicContact CZ-CD2 3.8Å; Y652-L704 HydrophobicContact CD1-CD1 3.92Å; Y652-L704 HydrophobicContact CD1-CD2 3.77Å; Y652-L704 HydrophobicContact CD1-CG 3.57Å; Y652-L704 HydrophobicContact CD2-CD2 3.89Å; Y652-L704 HydrophobicContact CE1-CD1 4.46Å; Y652-L704 HydrophobicContact CE1-CD2 3.56Å; Y652-L704 HydrophobicContact CE1-CG 3.61Å; Y652-L704 HydrophobicContact CE2-CD2 3.71Å; Y652-L704 HydrophobicContact CG-CD1 4.09Å; Y652-L704 HydrophobicContact CG-CD2 3.95Å; Y652-L704 HydrophobicContact CG-CG 4.07Å; L655-L704 HydrophobicContact CD1-CD1 3.98Å; V676-L704 HydrophobicContact CG1-CD1 3.87Å; L680-L704 HydrophobicContact CD1-CD1 3.56Å; F681-L704 HydrophobicContact CZ-CB 4.2Å; F681-L704 HydrophobicContact CZ-CD1 4.44Å; L696-L704 HydrophobicContact CD1-CD2 4.15Å; A700-L704 WeakPolarHBondContact O-CB 3.27Å; A700-L704 PolarHBondContact O-N 2.86Å; A701-L704 WeakPolarHBondContact O-CB 3.2Å; A701-L704 PolarHBondContact O-N 2.94Å; L702-L704 PolarHBondContact O-N 3.28Å; L704-K707 PolarHBondContact O-N 3.26Å; L704-R708 PolarHBondContact O-N 3.41Å |
| 705 | E | 71 | Confident | 76 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -74.6 | -36.1 | -178.4 | -78.1 | -78.7 | -131.1 | 0 | 0 | 112.6 | R119 Y652 A701 L702 L703 K707 R708 D709 | R119-E705 VanDerWaalsContact CZ-CD 3.42Å; R119-E705 IonicContact CZ-OE1 3.38Å; R119-E705 IonicContact CZ-OE2 3.71Å; R119-E705 IonicContact NH1-OE1 3.13Å; R119-E705 PolarHBondContact NH1-OE1 3.47Å; R119-E705 IonicContact NH1-OE2 2.75Å; R119-E705 IonicContact NH2-OE1 2.95Å; R119-E705 PolarHBondContact NH2-OE1 3.12Å; R119-E705 IonicContact NH2-OE2 2.89Å; R119-E705 PolarHBondContact NH2-OE2 3.07Å; Y652-E705 HydrophobicContact CE1-CG 4.04Å; Y652-E705 PolarHBondContact OH-OE1 3.46Å; A701-E705 PolarHBondContact O-N 2.91Å; L702-E705 PolarHBondContact O-N 3.48Å; L703-E705 VanDerWaalsContact C-N 3.35Å; L703-E705 PolarHBondContact O-N 2.89Å; E705-K707 VanDerWaalsContact C-N 3.29Å; E705-K707 PolarHBondContact O-N 2.91Å; E705-R708 VanDerWaalsContact CD-NH1 3.28Å; E705-R708 PolarHBondContact O-N 3.42Å; E705-R708 IonicContact OE1-NH1 3.65Å; E705-R708 PolarHBondContact OE1-NH1 3.34Å; E705-R708 VanDerWaalsContact OE2-CD 3.3Å; E705-R708 WeakPolarHBondContact OE2-CD 3.48Å; E705-R708 IonicContact OE2-CZ 3.05Å; E705-R708 IonicContact OE2-NE 2.76Å; E705-R708 IonicContact OE2-NH1 3.61Å; E705-R708 PolarHBondContact OE2-NH1 3.15Å; E705-D709 WeakPolarHBondContact O-CB 3.39Å; E705-D709 PolarHBondContact O-N 3.38Å |
| 706 | Q | 75.4 | Confident | 75.5 | Confident | 87 Ų | 87 | 59 Ų | 59 | 41% | 0.407 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.9 | -40.3 | 170.2 | -75.6 | 178.9 | 4.4 | 0 | 0 | 112 | L702 L703 K710 | L702-Q706 HydrophobicContact CD1-CG 4.43Å; L702-Q706 WeakPolarHBondContact O-CB 3.25Å; L702-Q706 VanDerWaalsContact O-CG 3.31Å; L702-Q706 WeakPolarHBondContact O-CG 3.49Å; L702-Q706 PolarHBondContact O-N 2.93Å; L703-Q706 PolarHBondContact O-N 3.28Å; Q706-K710 VanDerWaalsContact O-CB 3.23Å; Q706-K710 WeakPolarHBondContact O-CB 3.34Å; Q706-K710 PolarHBondContact O-N 3.27Å |
| 707 | K | 80 | Confident | 75.2 | Confident | 100 Ų | 100 | 63.2 Ų | 63.2 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 176.6 | -61 | -89.7 | 178.3 | 169.6 | 0 | 110.9 | L655 L680 L703 L704 E705 K710 L711 | L655-K707 HydrophobicContact CD2-CB 4.06Å; L680-K707 HydrophobicContact CD2-CD 4.29Å; L680-K707 HydrophobicContact CD2-CG 4.17Å; L703-K707 VanDerWaalsContact CD1-CE 3.45Å; L703-K707 HydrophobicContact CD1-CG 4.24Å; L703-K707 HydrophobicContact CG-CG 4.46Å; L703-K707 WeakPolarHBondContact O-CB 3.46Å; L703-K707 WeakPolarHBondContact O-CG 3.16Å; L703-K707 PolarHBondContact O-N 3.21Å; L704-K707 PolarHBondContact O-N 3.26Å; E705-K707 VanDerWaalsContact C-N 3.29Å; E705-K707 PolarHBondContact O-N 2.91Å; K707-K710 PolarHBondContact O-N 2.94Å; K707-L711 WeakPolarHBondContact O-CB 3.46Å; K707-L711 PolarHBondContact O-N 3.4Å |
| 708 | R | 81.2 | Confident | 75.1 | Confident | 47 Ų | 47 | 64.7 Ų | 64.7 | 18% | 0.177 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.6 | -51.8 | 174.4 | 177.5 | 162.5 | 169.9 | -109.3 | 11.6 | 111.3 | S651 Y652 L655 L704 E705 K710 L711 L712 | S651-R708 VanDerWaalsContact O-CD 3.3Å; S651-R708 WeakPolarHBondContact O-CD 3.24Å; S651-R708 PolarHBondContact O-NE 2.94Å; S651-R708 PolarHBondContact OG-NH2 2.98Å; Y652-R708 HydrophobicContact CD1-CB 4.35Å; Y652-R708 HydrophobicContact CD1-CG 4.49Å; Y652-R708 HydrophobicContact CE1-CB 4.5Å; Y652-R708 VanDerWaalsContact CE1-CD 3.43Å; L655-R708 HydrophobicContact CD1-CB 4.46Å; L704-R708 PolarHBondContact O-N 3.41Å; E705-R708 VanDerWaalsContact CD-NH1 3.28Å; E705-R708 PolarHBondContact O-N 3.42Å; E705-R708 IonicContact OE1-NH1 3.65Å; E705-R708 PolarHBondContact OE1-NH1 3.34Å; E705-R708 VanDerWaalsContact OE2-CD 3.3Å; E705-R708 WeakPolarHBondContact OE2-CD 3.48Å; E705-R708 IonicContact OE2-CZ 3.05Å; E705-R708 IonicContact OE2-NE 2.76Å; E705-R708 IonicContact OE2-NH1 3.61Å; E705-R708 PolarHBondContact OE2-NH1 3.15Å; R708-K710 VanDerWaalsContact C-N 3.34Å; R708-K710 PolarHBondContact O-N 2.84Å; R708-L711 PolarHBondContact O-N 3.18Å; R708-L712 HydrophobicContact CG-CD1 3.75Å; R708-L712 HydrophobicContact CG-CG 4.24Å; R708-L712 WeakPolarHBondContact O-CB 3.25Å; R708-L712 WeakPolarHBondContact O-CG 3.19Å; R708-L712 PolarHBondContact O-N 3.33Å |
| 709 | D | 66.8 | Low | 75.5 | Confident | 30 Ų | 30 | 66.6 Ų | 66.6 | 16% | 0.16 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.9 | -29.2 | -179.7 | -70.6 | -18.9 | 0 | 0 | 0 | 112.8 | R119 E705 R713 | R119-D709 IonicContact CZ-OD2 2.79Å; R119-D709 VanDerWaalsContact CZ-OD2 3.24Å; R119-D709 IonicContact NE-OD2 2.67Å; R119-D709 PolarHBondContact NE-OD2 3.01Å; R119-D709 IonicContact NH2-OD1 3.37Å; R119-D709 PolarHBondContact NH2-OD1 3.42Å; R119-D709 VanDerWaalsContact NH2-OD1 3.1Å; R119-D709 IonicContact NH2-OD2 2.74Å; R119-D709 PolarHBondContact NH2-OD2 3.18Å; E705-D709 WeakPolarHBondContact O-CB 3.39Å; E705-D709 PolarHBondContact O-N 3.38Å; D709-R713 VanDerWaalsContact CB-NH2 3.29Å; D709-R713 WeakPolarHBondContact O-CB 3.24Å; D709-R713 WeakPolarHBondContact O-CG 3.47Å; D709-R713 PolarHBondContact O-N 2.81Å; D709-R713 PolarHBondContact O-NE 3.01Å; D709-R713 VanDerWaalsContact O-NE 3.1Å |
| 710 | K | 77.5 | Confident | 75.3 | Confident | 162 Ų | 162 | 66.6 Ų | 66.6 | 70% | 0.704 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.1 | -42.1 | 171.1 | -174.5 | 168.8 | -175.8 | 169.5 | 0 | 111.2 | Q706 K707 R708 M714 | Q706-K710 VanDerWaalsContact O-CB 3.23Å; Q706-K710 WeakPolarHBondContact O-CB 3.34Å; Q706-K710 PolarHBondContact O-N 3.27Å; K707-K710 PolarHBondContact O-N 2.94Å; R708-K710 VanDerWaalsContact C-N 3.34Å; R708-K710 PolarHBondContact O-N 2.84Å; K710-M714 WeakPolarHBondContact O-CB 3.35Å; K710-M714 PolarHBondContact O-N 2.71Å |
| 711 | L | 80.2 | Confident | 75.3 | Confident | 39 Ų | 39 | 74.4 Ų | 74.4 | 20% | 0.204 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.6 | -43.8 | 178.1 | -167.6 | 152.5 | 0 | 0 | 0 | 111.6 | V654 L655 K707 R708 M714 K715 | V654-L711 HydrophobicContact CG1-CD2 4.42Å; V654-L711 HydrophobicContact CG2-CD2 3.75Å; V654-L711 WeakPolarHBondContact O-CD1 3.35Å; L655-L711 HydrophobicContact CD2-CD1 4.26Å; K707-L711 WeakPolarHBondContact O-CB 3.46Å; K707-L711 PolarHBondContact O-N 3.4Å; R708-L711 PolarHBondContact O-N 3.18Å; L711-M714 HydrophobicContact CG-CE 4.28Å; L711-M714 PolarHBondContact O-N 3.4Å; L711-K715 HydrophobicContact CD2-CG 4.04Å; L711-K715 WeakPolarHBondContact O-CG 3.35Å; L711-K715 PolarHBondContact O-N 2.74Å |
| 712 | L | 76.3 | Confident | 75.4 | Confident | 76 Ų | 76 | 78.5 Ų | 78.5 | 40% | 0.398 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 174 | -71.2 | 177.5 | 0 | 0 | 0 | 111.3 | R708 M714 K715 A716 | R708-L712 HydrophobicContact CG-CD1 3.75Å; R708-L712 HydrophobicContact CG-CG 4.24Å; R708-L712 WeakPolarHBondContact O-CB 3.25Å; R708-L712 WeakPolarHBondContact O-CG 3.19Å; R708-L712 PolarHBondContact O-N 3.33Å; L712-M714 PolarHBondContact O-N 3.35Å; L712-K715 PolarHBondContact O-N 3.45Å; L712-A716 WeakPolarHBondContact O-CB 3.17Å; L712-A716 PolarHBondContact O-N 3.29Å |
| 713 | R | 71.9 | Confident | 75.3 | Confident | 145 Ų | 145 | 80.2 Ų | 80.2 | 55% | 0.547 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 172.4 | -78.8 | 177.4 | -95.3 | -149.7 | -2.5 | 111.3 | D709 K715 A716 T717 | D709-R713 VanDerWaalsContact CB-NH2 3.29Å; D709-R713 WeakPolarHBondContact O-CB 3.24Å; D709-R713 WeakPolarHBondContact O-CG 3.47Å; D709-R713 PolarHBondContact O-N 2.81Å; D709-R713 PolarHBondContact O-NE 3.01Å; D709-R713 VanDerWaalsContact O-NE 3.1Å; R713-K715 PolarHBondContact O-N 2.71Å; R713-A716 CarbonylContact O-C 3.51Å; R713-A716 PolarHBondContact O-N 3.05Å; R713-T717 PolarHBondContact O-N 2.66Å; R713-T717 PolarHBondContact O-OG1 3.24Å |
| 714 | M | 78.4 | Confident | 74.6 | Confident | 103 Ų | 103 | 83.4 Ų | 83.4 | 51% | 0.507 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 176.1 | -179.9 | -179.2 | 61.2 | 0 | 0 | 112.9 | K710 L711 L712 T717 I718 | K710-M714 WeakPolarHBondContact O-CB 3.35Å; K710-M714 PolarHBondContact O-N 2.71Å; L711-M714 HydrophobicContact CG-CE 4.28Å; L711-M714 PolarHBondContact O-N 3.4Å; L712-M714 PolarHBondContact O-N 3.35Å; M714-T717 PolarHBondContact O-N 2.82Å; M714-I718 WeakPolarHBondContact O-CG1 3.37Å; M714-I718 PolarHBondContact O-N 2.97Å |
| 715 | K | 79.9 | Confident | 73.8 | Confident | 115 Ų | 115 | 85.4 Ų | 85.4 | 50% | 0.5 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 176.5 | -63.4 | -59.7 | -176.3 | -178.5 | 0 | 111.9 | L711 L712 R713 I718 V719 | L711-K715 HydrophobicContact CD2-CG 4.04Å; L711-K715 WeakPolarHBondContact O-CG 3.35Å; L711-K715 PolarHBondContact O-N 2.74Å; L712-K715 PolarHBondContact O-N 3.45Å; R713-K715 PolarHBondContact O-N 2.71Å; K715-I718 HydrophobicContact CD-CD1 4.37Å; K715-I718 WeakPolarHBondContact O-CB 3.33Å; K715-I718 PolarHBondContact O-N 3.03Å; K715-V719 WeakPolarHBondContact O-CG2 3.34Å; K715-V719 PolarHBondContact O-N 3.02Å |
| 716 | A | 72.8 | Confident | 73.7 | Confident | 37 Ų | 37 | 89.5 Ų | 89.5 | 31% | 0.306 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63 | -40 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L712 R713 I718 V719 Q720 | L712-A716 WeakPolarHBondContact O-CB 3.17Å; L712-A716 PolarHBondContact O-N 3.29Å; R713-A716 CarbonylContact O-C 3.51Å; R713-A716 PolarHBondContact O-N 3.05Å; A716-I718 VanDerWaalsContact C-N 3.3Å; A716-I718 PolarHBondContact O-N 2.84Å; A716-V719 PolarHBondContact O-N 3.03Å; A716-Q720 VanDerWaalsContact O-CB 3.25Å; A716-Q720 WeakPolarHBondContact O-CB 3.34Å; A716-Q720 WeakPolarHBondContact O-CG 3.4Å; A716-Q720 PolarHBondContact O-N 3.39Å |
| 717 | T | 73.1 | Confident | 73 | Confident | 89 Ų | 89 | 88.6 Ų | 88.6 | 55% | 0.546 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.3 | -34.4 | 173.7 | -56.8 | 0 | 0 | 0 | 0 | 112 | R713 M714 K721 | R713-T717 PolarHBondContact O-N 2.66Å; R713-T717 PolarHBondContact O-OG1 3.24Å; M714-T717 PolarHBondContact O-N 2.82Å; T717-K721 VanDerWaalsContact O-CB 3.25Å; T717-K721 WeakPolarHBondContact O-CB 3.48Å; T717-K721 PolarHBondContact O-N 2.88Å |
| 718 | I | 76.7 | Confident | 72.1 | Confident | 93 Ų | 93 | 90.3 Ų | 90.3 | 48% | 0.477 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67 | -47.7 | 172.5 | -65.8 | 166.3 | 0 | 0 | 0 | 110.7 | M714 K715 A716 Q720 K721 V722 | M714-I718 WeakPolarHBondContact O-CG1 3.37Å; M714-I718 PolarHBondContact O-N 2.97Å; K715-I718 HydrophobicContact CD-CD1 4.37Å; K715-I718 WeakPolarHBondContact O-CB 3.33Å; K715-I718 PolarHBondContact O-N 3.03Å; A716-I718 VanDerWaalsContact C-N 3.3Å; A716-I718 PolarHBondContact O-N 2.84Å; I718-Q720 VanDerWaalsContact C-N 3.34Å; I718-Q720 PolarHBondContact O-N 2.8Å; I718-K721 WeakPolarHBondContact O-CB 3.42Å; I718-K721 PolarHBondContact O-N 3.11Å; I718-V722 WeakPolarHBondContact O-CG2 3.35Å; I718-V722 PolarHBondContact O-N 3.3Å |
| 719 | V | 73.9 | Confident | 71.4 | Confident | 82 Ų | 82 | 92.3 Ų | 92.3 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 111 | K715 A716 V722 I723 | K715-V719 WeakPolarHBondContact O-CG2 3.34Å; K715-V719 PolarHBondContact O-N 3.02Å; A716-V719 PolarHBondContact O-N 3.03Å; V719-V722 PolarHBondContact O-N 3.07Å; V719-I723 HydrophobicContact CG1-CD1 3.65Å; V719-I723 HydrophobicContact CG1-CG1 4.26Å; V719-I723 WeakPolarHBondContact O-CB 3.2Å; V719-I723 WeakPolarHBondContact O-CG1 3.4Å; V719-I723 PolarHBondContact O-N 2.67Å |
| 720 | Q | 67.2 | Low | 70.9 | Confident | 49 Ų | 49 | 92.8 Ų | 92.8 | 23% | 0.229 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -68 | -32.7 | 175.3 | -71.5 | 173.5 | 32.4 | 0 | 0 | 112.6 | A716 I718 V722 R724 M1356 | A716-Q720 VanDerWaalsContact O-CB 3.25Å; A716-Q720 WeakPolarHBondContact O-CB 3.34Å; A716-Q720 WeakPolarHBondContact O-CG 3.4Å; A716-Q720 PolarHBondContact O-N 3.39Å; I718-Q720 VanDerWaalsContact C-N 3.34Å; I718-Q720 PolarHBondContact O-N 2.8Å; Q720-V722 VanDerWaalsContact C-N 3.35Å; Q720-R724 WeakPolarHBondContact O-CA 3.46Å; Q720-R724 WeakPolarHBondContact O-CB 3.47Å; Q720-R724 WeakPolarHBondContact O-CG 3.35Å; Q720-R724 PolarHBondContact O-N 3.43Å; Q720-M1356 PolarHBondContact NE2-SD 3.47Å; Q720-M1356 PolarHBondContact OE1-SD 3.29Å |
| 721 | K | 76 | Confident | 69.6 | Low | 165 Ų | 165 | 88.9 Ų | 88.9 | 72% | 0.717 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.7 | -45.4 | 170.5 | 174.5 | 179 | 176.5 | 176.3 | 0 | 110.3 | T717 I718 G725 | T717-K721 VanDerWaalsContact O-CB 3.25Å; T717-K721 WeakPolarHBondContact O-CB 3.48Å; T717-K721 PolarHBondContact O-N 2.88Å; I718-K721 WeakPolarHBondContact O-CB 3.42Å; I718-K721 PolarHBondContact O-N 3.11Å; K721-G725 PolarHBondContact O-N 2.99Å |
| 722 | V | 74.2 | Confident | 68.6 | Low | 100 Ų | 100 | 94 Ų | 94 | 61% | 0.606 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.9 | -46.7 | 177 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | I718 V719 Q720 G725 W726 | I718-V722 WeakPolarHBondContact O-CG2 3.35Å; I718-V722 PolarHBondContact O-N 3.3Å; V719-V722 PolarHBondContact O-N 3.07Å; Q720-V722 VanDerWaalsContact C-N 3.35Å; V722-G725 PolarHBondContact O-N 3.03Å; V722-W726 WeakPolarHBondContact O-CB 3.37Å; V722-W726 PolarHBondContact O-N 3.37Å |
| 723 | I | 67.5 | Low | 67.8 | Low | 84 Ų | 84 | 92.5 Ų | 92.5 | 43% | 0.431 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.2 | -43.8 | 179.3 | -68.4 | 175.6 | 0 | 0 | 0 | 111.4 | V719 G725 W726 I727 | V719-I723 HydrophobicContact CG1-CD1 3.65Å; V719-I723 HydrophobicContact CG1-CG1 4.26Å; V719-I723 WeakPolarHBondContact O-CB 3.2Å; V719-I723 WeakPolarHBondContact O-CG1 3.4Å; V719-I723 PolarHBondContact O-N 2.67Å; I723-G725 VanDerWaalsContact C-N 3.35Å; I723-G725 PolarHBondContact O-N 3.41Å; I723-W726 CarbonylContact O-C 3.57Å; I723-W726 PolarHBondContact O-N 3.18Å; I723-I727 HydrophobicContact CG2-CD1 3.8Å; I723-I727 HydrophobicContact CG2-CG1 4.19Å; I723-I727 WeakPolarHBondContact O-CB 3.48Å; I723-I727 VanDerWaalsContact O-CG1 3.31Å; I723-I727 WeakPolarHBondContact O-CG1 3.47Å; I723-I727 PolarHBondContact O-N 3.16Å |
| 724 | R | 65.9 | Low | 67 | Low | 126 Ų | 126 | 91 Ų | 91 | 48% | 0.475 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 173.2 | -72 | 171.9 | 177.9 | -163.7 | -3.3 | 110.3 | Q720 W726 I727 F728 | Q720-R724 WeakPolarHBondContact O-CA 3.46Å; Q720-R724 WeakPolarHBondContact O-CB 3.47Å; Q720-R724 WeakPolarHBondContact O-CG 3.35Å; Q720-R724 PolarHBondContact O-N 3.43Å; R724-W726 VanDerWaalsContact C-N 3.29Å; R724-W726 PolarHBondContact O-N 2.85Å; R724-I727 PolarHBondContact O-N 2.88Å; R724-F728 WeakPolarHBondContact O-CB 3.47Å; R724-F728 WeakPolarHBondContact O-CD2 3.4Å; R724-F728 PolarHBondContact O-N 2.75Å |
| 725 | G | 64.4 | Low | 65.6 | Low | 42 Ų | 42 | 88.7 Ų | 88.7 | 43% | 0.433 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.9 | -40.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K721 V722 I723 R729 | K721-G725 PolarHBondContact O-N 2.99Å; V722-G725 PolarHBondContact O-N 3.03Å; I723-G725 VanDerWaalsContact C-N 3.35Å; I723-G725 PolarHBondContact O-N 3.41Å; G725-R729 WeakPolarHBondContact O-CB 3.39Å; G725-R729 PolarHBondContact O-N 2.9Å |
| 726 | W | 69.2 | Low | 64.3 | Low | 108 Ų | 108 | 86.9 Ų | 86.9 | 41% | 0.409 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70 | -43.4 | 174.9 | 178.9 | 94.1 | 0 | 0 | 0 | 112.8 | V722 I723 R724 R729 Q730 K1797 | V722-W726 WeakPolarHBondContact O-CB 3.37Å; V722-W726 PolarHBondContact O-N 3.37Å; I723-W726 CarbonylContact O-C 3.57Å; I723-W726 PolarHBondContact O-N 3.18Å; R724-W726 VanDerWaalsContact C-N 3.29Å; R724-W726 PolarHBondContact O-N 2.85Å; W726-R729 CarbonylContact O-C 3.36Å; W726-R729 PolarHBondContact O-N 3.27Å; W726-Q730 HydrophobicContact CD2-CG 4.09Å; W726-Q730 HydrophobicContact CE3-CG 4.44Å; W726-Q730 HydrophobicContact CZ2-CG 4.44Å; W726-Q730 WeakPolarHBondContact O-CB 3.35Å; W726-Q730 WeakPolarHBondContact O-CG 3.44Å; W726-Q730 PolarHBondContact O-N 2.97Å; W726-K1797 HydrophobicContact CH2-CD 4.11Å; W726-K1797 HydrophobicContact CH2-CG 4.36Å; W726-K1797 HydrophobicContact CZ2-CD 3.81Å; W726-K1797 HydrophobicContact CZ2-CG 4.41Å |
| 727 | I | 60.4 | Low | 63 | Low | 69 Ų | 69 | 89.4 Ų | 89.4 | 35% | 0.354 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 175.4 | -69 | 173.9 | 0 | 0 | 0 | 110.3 | I723 R724 Q730 K731 | I723-I727 HydrophobicContact CG2-CD1 3.8Å; I723-I727 HydrophobicContact CG2-CG1 4.19Å; I723-I727 WeakPolarHBondContact O-CB 3.48Å; I723-I727 VanDerWaalsContact O-CG1 3.31Å; I723-I727 WeakPolarHBondContact O-CG1 3.47Å; I723-I727 PolarHBondContact O-N 3.16Å; R724-I727 PolarHBondContact O-N 2.88Å; I727-Q730 PolarHBondContact O-N 3.42Å; I727-K731 WeakPolarHBondContact O-CB 3.19Å; I727-K731 PolarHBondContact O-N 3.31Å |
| 728 | F | 61.8 | Low | 61.6 | Low | 135 Ų | 135 | 86.4 Ų | 86.4 | 59% | 0.592 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.7 | -39.9 | 174.9 | -89 | -77.5 | 0 | 0 | 0 | 111.5 | R724 Q730 Y732 | R724-F728 WeakPolarHBondContact O-CB 3.47Å; R724-F728 WeakPolarHBondContact O-CD2 3.4Å; R724-F728 PolarHBondContact O-N 2.75Å; F728-Q730 VanDerWaalsContact C-N 3.32Å; F728-Q730 PolarHBondContact O-N 3.34Å; F728-Y732 WeakPolarHBondContact O-CA 3.3Å; F728-Y732 WeakPolarHBondContact O-CB 3.49Å; F728-Y732 PolarHBondContact O-N 3.46Å |
| 729 | R | 65.2 | Low | 60.1 | Low | 90 Ų | 90 | 83 Ų | 83 | 34% | 0.34 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.2 | -36 | 172.1 | -174 | -176.6 | -174.6 | 112.1 | -18.2 | 112.1 | G725 W726 L733 S1586 | G725-R729 WeakPolarHBondContact O-CB 3.39Å; G725-R729 PolarHBondContact O-N 2.9Å; W726-R729 CarbonylContact O-C 3.36Å; W726-R729 PolarHBondContact O-N 3.27Å; R729-L733 HydrophobicContact CG-CD1 4.12Å; R729-L733 VanDerWaalsContact O-CB 3.23Å; R729-L733 WeakPolarHBondContact O-CB 3.41Å; R729-L733 WeakPolarHBondContact O-CD1 3.42Å; R729-L733 WeakPolarHBondContact O-CG 3.24Å; R729-L733 PolarHBondContact O-N 3.44Å; R729-S1586 PolarHBondContact NH1-OG 2.69Å; R729-S1586 PolarHBondContact NH2-O 2.89Å; R729-S1586 PolarHBondContact NH2-OG 2.7Å |
| 730 | Q | 55.9 | Low | 58.9 | Low | 40 Ų | 40 | 80 Ų | 80 | 19% | 0.187 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -74.1 | -46.1 | 176.8 | -72.4 | -72.7 | -58.5 | 0 | 0 | 111.5 | W726 I727 F728 Y732 L733 I734 | W726-Q730 HydrophobicContact CD2-CG 4.09Å; W726-Q730 HydrophobicContact CE3-CG 4.44Å; W726-Q730 HydrophobicContact CZ2-CG 4.44Å; W726-Q730 WeakPolarHBondContact O-CB 3.35Å; W726-Q730 WeakPolarHBondContact O-CG 3.44Å; W726-Q730 PolarHBondContact O-N 2.97Å; I727-Q730 PolarHBondContact O-N 3.42Å; F728-Q730 VanDerWaalsContact C-N 3.32Å; F728-Q730 PolarHBondContact O-N 3.34Å; Q730-Y732 VanDerWaalsContact C-N 3.32Å; Q730-Y732 PolarHBondContact O-N 3.28Å; Q730-L733 PolarHBondContact O-N 2.73Å; Q730-L733 VanDerWaalsContact O-N 3.16Å; Q730-I734 WeakPolarHBondContact O-CB 3.42Å; Q730-I734 VanDerWaalsContact O-CG1 3.26Å; Q730-I734 WeakPolarHBondContact O-CG1 3.49Å; Q730-I734 PolarHBondContact O-N 2.71Å |
| 731 | K | 51.5 | Low | 57.8 | Low | 80 Ų | 80 | 81.4 Ų | 81.4 | 35% | 0.348 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.9 | -41.8 | 170.6 | -80.2 | -171 | 168.7 | -177.1 | 0 | 111.6 | I727 I734 A735 | I727-K731 WeakPolarHBondContact O-CB 3.19Å; I727-K731 PolarHBondContact O-N 3.31Å; K731-I734 PolarHBondContact O-N 3.4Å; K731-A735 VanDerWaalsContact O-CB 3.25Å; K731-A735 WeakPolarHBondContact O-CB 3.18Å; K731-A735 PolarHBondContact O-N 3.37Å |
| 732 | Y | 59.7 | Low | 56.2 | Low | 146 Ų | 146 | 75 Ų | 75 | 57% | 0.573 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 172.5 | 172.2 | -93.3 | 0 | 0 | 0 | 111.5 | F728 Q730 I734 R736 | F728-Y732 WeakPolarHBondContact O-CA 3.3Å; F728-Y732 WeakPolarHBondContact O-CB 3.49Å; F728-Y732 PolarHBondContact O-N 3.46Å; Q730-Y732 VanDerWaalsContact C-N 3.32Å; Q730-Y732 PolarHBondContact O-N 3.28Å; Y732-I734 VanDerWaalsContact C-N 3.34Å; Y732-I734 PolarHBondContact O-N 3.17Å; Y732-R736 WeakPolarHBondContact O-CA 3.44Å; Y732-R736 WeakPolarHBondContact O-CB 3.31Å; Y732-R736 PolarHBondContact O-N 3.18Å |
| 733 | L | 59.2 | Low | 54.7 | Low | 44 Ų | 44 | 72.3 Ų | 72.3 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 177.5 | -79 | 167.9 | 0 | 0 | 0 | 112.1 | R729 Q730 R736 H737 | R729-L733 HydrophobicContact CG-CD1 4.12Å; R729-L733 VanDerWaalsContact O-CB 3.23Å; R729-L733 WeakPolarHBondContact O-CB 3.41Å; R729-L733 WeakPolarHBondContact O-CD1 3.42Å; R729-L733 WeakPolarHBondContact O-CG 3.24Å; R729-L733 PolarHBondContact O-N 3.44Å; Q730-L733 PolarHBondContact O-N 2.73Å; Q730-L733 VanDerWaalsContact O-N 3.16Å; L733-R736 CarbonylContact O-C 3.07Å; L733-H737 VanDerWaalsContact O-CB 3.3Å; L733-H737 WeakPolarHBondContact O-CB 3.14Å; L733-H737 PolarHBondContact O-N 2.99Å |
| 734 | I | 54.9 | Low | 53.6 | Low | 113 Ų | 113 | 68.3 Ų | 68.3 | 58% | 0.579 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -71.9 | -49.1 | 175.4 | -68.9 | 164.1 | 0 | 0 | 0 | 110.8 | Q730 K731 Y732 R736 H737 A738 | Q730-I734 WeakPolarHBondContact O-CB 3.42Å; Q730-I734 VanDerWaalsContact O-CG1 3.26Å; Q730-I734 WeakPolarHBondContact O-CG1 3.49Å; Q730-I734 PolarHBondContact O-N 2.71Å; K731-I734 PolarHBondContact O-N 3.4Å; Y732-I734 VanDerWaalsContact C-N 3.34Å; Y732-I734 PolarHBondContact O-N 3.17Å; I734-R736 PolarHBondContact O-N 3.1Å; I734-H737 CarbonylContact O-C 3.54Å; I734-H737 VanDerWaalsContact O-C 3.26Å; I734-H737 VanDerWaalsContact O-CA 3.31Å; I734-H737 WeakPolarHBondContact O-CA 3.27Å; I734-H737 PolarHBondContact O-N 2.84Å; I734-A738 PolarHBondContact O-N 3.28Å |
| 735 | A | 49 | Very low | 52.6 | Low | 55 Ų | 55 | 67.8 Ų | 67.8 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.6 | -36.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K731 A738 A739 | K731-A735 VanDerWaalsContact O-CB 3.25Å; K731-A735 WeakPolarHBondContact O-CB 3.18Å; K731-A735 PolarHBondContact O-N 3.37Å; A735-A738 PolarHBondContact O-N 3.36Å; A735-A739 WeakPolarHBondContact O-CB 3.25Å; A735-A739 PolarHBondContact O-N 3.15Å |
| 736 | R | 52.3 | Low | 51.6 | Low | 78 Ų | 78 | 67.6 Ų | 67.6 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.5 | -32.2 | 170 | -161.8 | -171.8 | 81.2 | 151.4 | 9 | 111.7 | Y732 L733 I734 A738 A739 V740 | Y732-R736 WeakPolarHBondContact O-CA 3.44Å; Y732-R736 WeakPolarHBondContact O-CB 3.31Å; Y732-R736 PolarHBondContact O-N 3.18Å; L733-R736 CarbonylContact O-C 3.07Å; I734-R736 PolarHBondContact O-N 3.1Å; R736-A738 VanDerWaalsContact C-N 3.3Å; R736-A739 CarbonylContact O-C 3.55Å; R736-V740 HydrophobicContact CG-CG2 4.5Å; R736-V740 WeakPolarHBondContact O-CB 3.16Å; R736-V740 WeakPolarHBondContact O-CG2 3.49Å; R736-V740 PolarHBondContact O-N 2.77Å |
| 737 | H | 45.1 | Very low | 50.3 | Low | 89 Ų | 89 | 65.2 Ų | 65.2 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -0.9 | 172.6 | -112.1 | 123.5 | 0 | 0 | 0 | 114.6 | L733 I734 V740 | L733-H737 VanDerWaalsContact O-CB 3.3Å; L733-H737 WeakPolarHBondContact O-CB 3.14Å; L733-H737 PolarHBondContact O-N 2.99Å; I734-H737 CarbonylContact O-C 3.54Å; I734-H737 VanDerWaalsContact O-C 3.26Å; I734-H737 VanDerWaalsContact O-CA 3.31Å; I734-H737 WeakPolarHBondContact O-CA 3.27Å; I734-H737 PolarHBondContact O-N 2.84Å; H737-V740 CarbonylContact C-O 3.57Å |
| 738 | A | 43.3 | Very low | 49.6 | Very low | 26 Ų | 26 | 65.1 Ų | 65.1 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -50.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109 | I734 A735 R736 V740 M742 | I734-A738 PolarHBondContact O-N 3.28Å; A735-A738 PolarHBondContact O-N 3.36Å; R736-A738 VanDerWaalsContact C-N 3.3Å; A738-V740 CarbonylContact C-O 3.53Å; A738-V740 VanDerWaalsContact C-O 3.27Å; A738-V740 CarbonylContact O-C 3.59Å; A738-V740 PolarHBondContact O-N 3.26Å; A738-M742 HydrophobicContact CB-CE 3.86Å; A738-M742 HydrophobicContact CB-SD 4.28Å; A738-M742 WeakPolarHBondContact O-CA 3.46Å; A738-M742 WeakPolarHBondContact O-CB 3.19Å; A738-M742 WeakPolarHBondContact O-CG 3.45Å; A738-M742 PolarHBondContact O-N 3.01Å |
| 739 | A | 45.6 | Very low | 49 | Very low | 21 Ų | 21 | 64.6 Ų | 64.6 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -9.3 | 169 | 0 | 0 | 0 | 0 | 0 | 114.2 | A735 R736 L743 K1405 D1410 | A735-A739 WeakPolarHBondContact O-CB 3.25Å; A735-A739 PolarHBondContact O-N 3.15Å; R736-A739 CarbonylContact O-C 3.55Å; A739-L743 WeakPolarHBondContact O-CB 3.45Å; A739-K1405 HydrophobicContact CB-CB 4.25Å; A739-K1405 HydrophobicContact CB-CD 3.8Å; A739-D1410 VanDerWaalsContact CA-OD2 3.3Å; A739-D1410 WeakPolarHBondContact CA-OD2 3.07Å; A739-D1410 PolarHBondContact N-OD2 2.73Å |
| 740 | V | 49.3 | Very low | 48.1 | Very low | 19 Ų | 19 | 62.1 Ų | 62.1 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 150.3 | 165 | 169.3 | 0 | 0 | 0 | 0 | 106.9 | R736 H737 A738 M742 M1566 L1569 | R736-V740 HydrophobicContact CG-CG2 4.5Å; R736-V740 WeakPolarHBondContact O-CB 3.16Å; R736-V740 WeakPolarHBondContact O-CG2 3.49Å; R736-V740 PolarHBondContact O-N 2.77Å; H737-V740 CarbonylContact C-O 3.57Å; A738-V740 CarbonylContact C-O 3.53Å; A738-V740 VanDerWaalsContact C-O 3.27Å; A738-V740 CarbonylContact O-C 3.59Å; A738-V740 PolarHBondContact O-N 3.26Å; V740-M742 PolarHBondContact O-N 2.95Å; V740-M1566 HydrophobicContact CG1-SD 4.08Å; V740-L1569 HydrophobicContact CB-CD1 4.17Å; V740-L1569 HydrophobicContact CG1-CD1 3.84Å; V740-L1569 HydrophobicContact CG2-CD1 3.35Å; V740-L1569 HydrophobicContact CG2-CD2 3.91Å; V740-L1569 HydrophobicContact CG2-CG 4.24Å |
| 741 | M | 43.6 | Very low | 47.8 | Very low | 80 Ų | 80 | 62.4 Ų | 62.4 | 39% | 0.394 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | -56.1 | -161.6 | -171 | 173.8 | 60.7 | 0 | 0 | 113 | G744 R1565 M1566 | M741-G744 VanDerWaalsContact O-CA 3.3Å; M741-G744 WeakPolarHBondContact O-CA 3.33Å; M741-G744 PolarHBondContact O-N 2.85Å; M741-R1565 VanDerWaalsContact N-NH2 3.14Å; M741-M1566 HydrophobicContact CB-CE 4.08Å; M741-M1566 HydrophobicContact CG-CE 4.5Å |
| 742 | M | 42.3 | Very low | 48.1 | Very low | 29 Ų | 29 | 63 Ų | 63 | 14% | 0.143 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.9 | -46.4 | 176.7 | -50.4 | -166.1 | -42.3 | 0 | 0 | 111.4 | A738 V740 G744 F745 K1405 S1406 N1409 D1410 | A738-M742 HydrophobicContact CB-CE 3.86Å; A738-M742 HydrophobicContact CB-SD 4.28Å; A738-M742 WeakPolarHBondContact O-CA 3.46Å; A738-M742 WeakPolarHBondContact O-CB 3.19Å; A738-M742 WeakPolarHBondContact O-CG 3.45Å; A738-M742 PolarHBondContact O-N 3.01Å; V740-M742 PolarHBondContact O-N 2.95Å; M742-G744 CarbonylContact O-C 3.29Å; M742-G744 PolarHBondContact O-N 3.26Å; M742-F745 PolarHBondContact O-N 2.87Å; M742-K1405 CarbonylContact C-O 3.59Å; M742-K1405 WeakPolarHBondContact CB-O 3.47Å; M742-S1406 CarbonylContact C-O 3.58Å; M742-S1406 CarbonylContact O-C 3.57Å; M742-S1406 VanDerWaalsContact O-C 3.24Å; M742-S1406 PolarHBondContact O-OG 3.35Å; M742-N1409 HydrophobicContact CE-CB 4.28Å; M742-N1409 HydrophobicContact SD-CB 4.37Å; M742-D1410 HydrophobicContact CE-CB 3.57Å; M742-D1410 VanDerWaalsContact CE-CG 3.43Å |
| 743 | L | 42.9 | Very low | 47.8 | Very low | 45 Ų | 45 | 65.1 Ų | 65.1 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.2 | 5.7 | 170.3 | -145.6 | -168.9 | 0 | 0 | 0 | 113.1 | A739 R747 K1405 S1406 R1565 | A739-L743 WeakPolarHBondContact O-CB 3.45Å; L743-R747 HydrophobicContact CD2-CG 3.93Å; L743-R747 WeakPolarHBondContact O-CG 3.43Å; L743-K1405 WeakPolarHBondContact CA-O 3.36Å; L743-K1405 HydrophobicContact CB-CB 3.82Å; L743-K1405 HydrophobicContact CB-CG 4.32Å; L743-K1405 HydrophobicContact CD1-CB 4.07Å; L743-K1405 HydrophobicContact CD1-CD 3.75Å; L743-K1405 HydrophobicContact CD1-CG 3.59Å; L743-K1405 HydrophobicContact CG-CB 3.69Å; L743-K1405 HydrophobicContact CG-CD 4.36Å; L743-K1405 HydrophobicContact CG-CG 3.71Å; L743-K1405 PolarHBondContact N-O 2.85Å; L743-S1406 WeakPolarHBondContact CA-OG 3.5Å; L743-R1565 WeakPolarHBondContact O-CD 3.23Å; L743-R1565 PolarHBondContact O-NE 3.39Å |
| 744 | G | 43.9 | Very low | 47.8 | Very low | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.7 | -51.5 | 163 | 0 | 0 | 0 | 0 | 0 | 112.1 | M741 M742 A746 R747 L748 E1562 | M741-G744 VanDerWaalsContact O-CA 3.3Å; M741-G744 WeakPolarHBondContact O-CA 3.33Å; M741-G744 PolarHBondContact O-N 2.85Å; M742-G744 CarbonylContact O-C 3.29Å; M742-G744 PolarHBondContact O-N 3.26Å; G744-A746 PolarHBondContact O-N 3.14Å; G744-R747 CarbonylContact O-C 3.56Å; G744-R747 VanDerWaalsContact O-C 3.24Å; G744-R747 VanDerWaalsContact O-CA 3.23Å; G744-R747 WeakPolarHBondContact O-CA 3.46Å; G744-R747 WeakPolarHBondContact O-CB 3.43Å; G744-R747 PolarHBondContact O-N 2.97Å; G744-L748 PolarHBondContact O-N 3.46Å; G744-E1562 VanDerWaalsContact CA-CG 3.42Å; G744-E1562 WeakPolarHBondContact CA-OE1 3.4Å; G744-E1562 WeakPolarHBondContact O-CB 3.32Å |
| 745 | F | 45.3 | Very low | 48.1 | Very low | 115 Ų | 115 | 68.8 Ų | 68.8 | 50% | 0.504 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.3 | -42.6 | -167 | -76 | -89.5 | 0 | 0 | 0 | 115.2 | M742 R747 L748 Q749 S1406 | M742-F745 PolarHBondContact O-N 2.87Å; F745-R747 VanDerWaalsContact C-N 3.26Å; F745-R747 PolarHBondContact O-N 3.29Å; F745-L748 CarbonylContact O-C 3.54Å; F745-L748 WeakPolarHBondContact O-CA 3.35Å; F745-L748 VanDerWaalsContact O-CB 3.29Å; F745-L748 WeakPolarHBondContact O-CB 3.45Å; F745-L748 PolarHBondContact O-N 3.36Å; F745-Q749 VanDerWaalsContact O-CG 3.32Å; F745-Q749 WeakPolarHBondContact O-CG 3.47Å; F745-Q749 PolarHBondContact O-N 2.81Å; F745-S1406 WeakPolarHBondContact CB-O 3.47Å |
| 746 | A | 42.3 | Very low | 49 | Very low | 37 Ų | 37 | 73.4 Ų | 73.4 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.8 | -29.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G744 L748 Q749 A750 S1406 | G744-A746 PolarHBondContact O-N 3.14Å; A746-L748 VanDerWaalsContact C-N 3.28Å; A746-Q749 PolarHBondContact O-N 2.92Å; A746-A750 WeakPolarHBondContact O-CB 3.43Å; A746-A750 PolarHBondContact O-N 3.3Å; A746-S1406 WeakPolarHBondContact CB-OG 3.46Å; A746-S1406 VanDerWaalsContact N-CB 3.27Å; A746-S1406 PolarHBondContact N-OG 3.02Å |
| 747 | R | 42.7 | Very low | 49.6 | Very low | 59 Ų | 59 | 74.9 Ų | 74.9 | 22% | 0.223 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -79 | -11.9 | 171.3 | -53.8 | -167.8 | 82.4 | -172.9 | -4.3 | 111.9 | L743 G744 F745 D1561 E1562 S1564 R1565 | L743-R747 HydrophobicContact CD2-CG 3.93Å; L743-R747 WeakPolarHBondContact O-CG 3.43Å; G744-R747 CarbonylContact O-C 3.56Å; G744-R747 VanDerWaalsContact O-C 3.24Å; G744-R747 VanDerWaalsContact O-CA 3.23Å; G744-R747 WeakPolarHBondContact O-CA 3.46Å; G744-R747 WeakPolarHBondContact O-CB 3.43Å; G744-R747 PolarHBondContact O-N 2.97Å; F745-R747 VanDerWaalsContact C-N 3.26Å; F745-R747 PolarHBondContact O-N 3.29Å; R747-D1561 HydrophobicContact CB-CB 3.64Å; R747-D1561 WeakPolarHBondContact CB-O 3.49Å; R747-D1561 VanDerWaalsContact CB-OD2 3.27Å; R747-D1561 WeakPolarHBondContact CB-OD2 3.33Å; R747-D1561 VanDerWaalsContact CD-O 3.3Å; R747-D1561 WeakPolarHBondContact CD-O 3.03Å; R747-D1561 HydrophobicContact CG-CB 4.4Å; R747-D1561 WeakPolarHBondContact CG-OD2 3.39Å; R747-D1561 VanDerWaalsContact CZ-O 3.25Å; R747-D1561 IonicContact CZ-OD1 2.65Å; R747-D1561 IonicContact CZ-OD2 2.7Å; R747-D1561 PolarHBondContact NE-O 3.02Å; R747-D1561 VanDerWaalsContact NE-O 3.07Å; R747-D1561 IonicContact NE-OD1 2.7Å; R747-D1561 PolarHBondContact NE-OD1 2.67Å; R747-D1561 VanDerWaalsContact NE-OD1 3.09Å; R747-D1561 IonicContact NE-OD2 2.91Å; R747-D1561 PolarHBondContact NE-OD2 3.28Å; R747-D1561 IonicContact NH2-OD1 3.24Å; R747-D1561 PolarHBondContact NH2-OD1 3.22Å; R747-D1561 IonicContact NH2-OD2 2.97Å; R747-D1561 CarbonylContact O-C 3.59Å; R747-D1561 WeakPolarHBondContact O-CA 3.49Å; R747-D1561 WeakPolarHBondContact O-CB 3.42Å; R747-D1561 PolarHBondContact O-N 2.93Å; R747-E1562 HydrophobicContact CB-CB 4.42Å; R747-E1562 VanDerWaalsContact CB-N 3.25Å; R747-E1562 PolarHBondContact O-N 2.89Å; R747-S1564 PolarHBondContact NH2-OG 2.85Å; R747-R1565 VanDerWaalsContact NH1-CA 3.3Å |
| 748 | L | 46.8 | Very low | 50.7 | Low | 66 Ų | 66 | 73.8 Ų | 73.8 | 35% | 0.346 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -82.8 | -40.1 | 161.6 | -153 | 78.5 | 0 | 0 | 0 | 110.7 | G744 F745 A746 L751 V752 E1562 | G744-L748 PolarHBondContact O-N 3.46Å; F745-L748 CarbonylContact O-C 3.54Å; F745-L748 WeakPolarHBondContact O-CA 3.35Å; F745-L748 VanDerWaalsContact O-CB 3.29Å; F745-L748 WeakPolarHBondContact O-CB 3.45Å; F745-L748 PolarHBondContact O-N 3.36Å; A746-L748 VanDerWaalsContact C-N 3.28Å; L748-L751 WeakPolarHBondContact O-CB 3.43Å; L748-L751 PolarHBondContact O-N 3.22Å; L748-V752 WeakPolarHBondContact O-CG2 3.38Å; L748-V752 PolarHBondContact O-N 3.26Å; L748-E1562 HydrophobicContact CB-CB 4.38Å; L748-E1562 HydrophobicContact CD1-CB 4.08Å |
| 749 | Q | 47.5 | Very low | 52 | Low | 125 Ų | 125 | 75.3 Ų | 75.3 | 58% | 0.584 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.3 | -38.5 | 176.4 | -70 | 168.4 | -15.4 | 0 | 0 | 112.5 | F745 A746 L751 V752 R753 | F745-Q749 VanDerWaalsContact O-CG 3.32Å; F745-Q749 WeakPolarHBondContact O-CG 3.47Å; F745-Q749 PolarHBondContact O-N 2.81Å; A746-Q749 PolarHBondContact O-N 2.92Å; Q749-L751 PolarHBondContact O-N 2.91Å; Q749-V752 PolarHBondContact O-N 3.15Å; Q749-R753 WeakPolarHBondContact O-CB 3.48Å; Q749-R753 PolarHBondContact O-N 2.81Å |
| 750 | A | 46.4 | Very low | 53.1 | Low | 37 Ų | 37 | 78.5 Ų | 78.5 | 31% | 0.306 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.5 | -38.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A746 T754 D1561 | A746-A750 WeakPolarHBondContact O-CB 3.43Å; A746-A750 PolarHBondContact O-N 3.3Å; A750-T754 WeakPolarHBondContact O-CB 3.38Å; A750-T754 PolarHBondContact O-N 2.86Å; A750-T754 PolarHBondContact O-OG1 2.89Å; A750-D1561 HydrophobicContact CB-CB 4.49Å |
| 751 | L | 50.7 | Low | 54.2 | Low | 47 Ų | 47 | 84.7 Ų | 84.7 | 25% | 0.246 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.4 | -49.8 | 174.6 | -132.1 | -172.3 | 0 | 0 | 0 | 111.9 | L748 Q749 T754 K755 I1560 | L748-L751 WeakPolarHBondContact O-CB 3.43Å; L748-L751 PolarHBondContact O-N 3.22Å; Q749-L751 PolarHBondContact O-N 2.91Å; L751-T754 PolarHBondContact O-N 3.42Å; L751-K755 WeakPolarHBondContact O-CB 3.31Å; L751-K755 PolarHBondContact O-N 3.19Å; L751-I1560 HydrophobicContact CD1-CB 3.83Å; L751-I1560 HydrophobicContact CD1-CG1 3.95Å; L751-I1560 HydrophobicContact CD1-CG2 3.47Å; L751-I1560 VanDerWaalsContact CD1-CG2 3.47Å |
| 752 | V | 58.3 | Low | 55.4 | Low | 92 Ų | 92 | 86 Ų | 86 | 56% | 0.558 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 178.6 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | L748 Q749 K755 R756 | L748-V752 WeakPolarHBondContact O-CG2 3.38Å; L748-V752 PolarHBondContact O-N 3.26Å; Q749-V752 PolarHBondContact O-N 3.15Å; V752-K755 PolarHBondContact O-N 3.44Å; V752-R756 VanDerWaalsContact O-CB 3.3Å; V752-R756 WeakPolarHBondContact O-CB 3.31Å; V752-R756 PolarHBondContact O-N 2.86Å |
| 753 | R | 52.5 | Low | 56.9 | Low | 190 Ų | 190 | 90.3 Ų | 90.3 | 72% | 0.717 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -57.5 | -48.6 | 170.9 | -88.4 | -177.5 | 160.9 | 171.4 | -5.9 | 111.8 | Q749 K755 R756 L757 | Q749-R753 WeakPolarHBondContact O-CB 3.48Å; Q749-R753 PolarHBondContact O-N 2.81Å; R753-K755 VanDerWaalsContact C-N 3.31Å; R753-K755 PolarHBondContact O-N 3.35Å; R753-R756 PolarHBondContact O-N 2.77Å; R753-L757 WeakPolarHBondContact O-CB 3.38Å; R753-L757 VanDerWaalsContact O-CG 3.31Å; R753-L757 WeakPolarHBondContact O-CG 3.4Å; R753-L757 PolarHBondContact O-N 3.12Å |
| 754 | T | 58.4 | Low | 58.3 | Low | 85 Ų | 85 | 92.7 Ų | 92.7 | 52% | 0.521 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 178.9 | -58 | 0 | 0 | 0 | 0 | 111.3 | A750 L751 T758 | A750-T754 WeakPolarHBondContact O-CB 3.38Å; A750-T754 PolarHBondContact O-N 2.86Å; A750-T754 PolarHBondContact O-OG1 2.89Å; L751-T754 PolarHBondContact O-N 3.42Å; T754-T758 WeakPolarHBondContact O-CB 3.28Å; T754-T758 PolarHBondContact O-N 2.92Å; T754-T758 PolarHBondContact O-OG1 2.93Å |
| 755 | K | 62.4 | Low | 59.7 | Low | 150 Ų | 150 | 99.5 Ų | 99.5 | 65% | 0.652 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -70.4 | -38.1 | 178.5 | -158.2 | 176.4 | -176.1 | -173.2 | 0 | 112.4 | L751 V752 R753 T758 C759 | L751-K755 WeakPolarHBondContact O-CB 3.31Å; L751-K755 PolarHBondContact O-N 3.19Å; V752-K755 PolarHBondContact O-N 3.44Å; R753-K755 VanDerWaalsContact C-N 3.31Å; R753-K755 PolarHBondContact O-N 3.35Å; K755-T758 PolarHBondContact O-N 3.36Å; K755-C759 PolarHBondContact O-N 3.29Å; K755-C759 PolarHBondContact O-SG 2.73Å |
| 756 | R | 68 | Low | 60.9 | Low | 152 Ų | 152 | 97.9 Ų | 97.9 | 57% | 0.574 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.5 | -50.7 | 174.6 | -157.9 | -178.6 | -179.4 | 147.4 | 1.5 | 110.8 | V752 R753 T758 C759 E760 | V752-R756 VanDerWaalsContact O-CB 3.3Å; V752-R756 WeakPolarHBondContact O-CB 3.31Å; V752-R756 PolarHBondContact O-N 2.86Å; R753-R756 PolarHBondContact O-N 2.77Å; R756-T758 VanDerWaalsContact C-N 3.26Å; R756-T758 PolarHBondContact O-N 3.43Å; R756-C759 PolarHBondContact O-N 2.81Å; R756-E760 WeakPolarHBondContact CG-OE1 3.44Å; R756-E760 IonicContact NE-OE1 2.67Å; R756-E760 WeakPolarHBondContact O-CB 3.22Å; R756-E760 WeakPolarHBondContact O-CG 3.31Å; R756-E760 PolarHBondContact O-N 2.73Å |
| 757 | L | 64.4 | Low | 62.2 | Low | 109 Ų | 109 | 97.6 Ų | 97.6 | 57% | 0.571 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58 | -34.7 | 172.8 | -73.8 | 166.5 | 0 | 0 | 0 | 113 | R753 Y761 | R753-L757 WeakPolarHBondContact O-CB 3.38Å; R753-L757 VanDerWaalsContact O-CG 3.31Å; R753-L757 WeakPolarHBondContact O-CG 3.4Å; R753-L757 PolarHBondContact O-N 3.12Å; L757-Y761 WeakPolarHBondContact O-CB 3.38Å; L757-Y761 PolarHBondContact O-N 3.3Å |
| 758 | T | 68.4 | Low | 63.6 | Low | 66 Ų | 66 | 98.3 Ų | 98.3 | 41% | 0.405 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70 | -38.6 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | T754 K755 R756 Q762 | T754-T758 WeakPolarHBondContact O-CB 3.28Å; T754-T758 PolarHBondContact O-N 2.92Å; T754-T758 PolarHBondContact O-OG1 2.93Å; K755-T758 PolarHBondContact O-N 3.36Å; R756-T758 VanDerWaalsContact C-N 3.26Å; R756-T758 PolarHBondContact O-N 3.43Å; T758-Q762 WeakPolarHBondContact O-CB 3.39Å; T758-Q762 VanDerWaalsContact O-CG 3.24Å; T758-Q762 WeakPolarHBondContact O-CG 3.45Å; T758-Q762 PolarHBondContact O-N 2.86Å |
| 759 | C | 71 | Confident | 65 | Low | 57 Ų | 57 | 98.5 Ų | 98.5 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.4 | -48.3 | 173.3 | -62 | 0 | 0 | 0 | 0 | 110.8 | K755 R756 Y761 Q762 E763 | K755-C759 PolarHBondContact O-N 3.29Å; K755-C759 PolarHBondContact O-SG 2.73Å; R756-C759 PolarHBondContact O-N 2.81Å; C759-Y761 VanDerWaalsContact C-N 3.29Å; C759-Y761 PolarHBondContact O-N 2.74Å; C759-Q762 CarbonylContact O-C 3.54Å; C759-Q762 WeakPolarHBondContact O-CA 3.43Å; C759-Q762 PolarHBondContact O-N 3.01Å; C759-E763 WeakPolarHBondContact O-CB 3.48Å; C759-E763 WeakPolarHBondContact O-CG 3.4Å; C759-E763 PolarHBondContact O-N 2.91Å |
| 760 | E | 68.9 | Low | 66 | Low | 88 Ų | 88 | 98 Ų | 98 | 41% | 0.411 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -56.8 | -40.5 | 176.3 | -70.9 | 163.9 | -179.9 | 0 | 0 | 111.5 | R756 L764 | R756-E760 WeakPolarHBondContact CG-OE1 3.44Å; R756-E760 IonicContact NE-OE1 2.67Å; R756-E760 WeakPolarHBondContact O-CB 3.22Å; R756-E760 WeakPolarHBondContact O-CG 3.31Å; R756-E760 PolarHBondContact O-N 2.73Å; E760-L764 WeakPolarHBondContact O-CB 3.49Å; E760-L764 PolarHBondContact O-N 2.87Å |
| 761 | Y | 70.7 | Confident | 67.1 | Low | 150 Ų | 150 | 99.5 Ų | 99.5 | 59% | 0.588 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.1 | -37.9 | 172.9 | 179.2 | -97.7 | 0 | 0 | 0 | 113.1 | L757 C759 R765 | L757-Y761 WeakPolarHBondContact O-CB 3.38Å; L757-Y761 PolarHBondContact O-N 3.3Å; C759-Y761 VanDerWaalsContact C-N 3.29Å; C759-Y761 PolarHBondContact O-N 2.74Å; Y761-R765 WeakPolarHBondContact O-CB 3.32Å; Y761-R765 PolarHBondContact O-N 3.37Å |
| 762 | Q | 70.2 | Confident | 68.3 | Low | 108 Ų | 108 | 101.5 Ų | 101.5 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69 | -41.6 | 176.1 | -76.6 | 175.2 | 3 | 0 | 0 | 111.8 | T758 C759 R765 N766 | T758-Q762 WeakPolarHBondContact O-CB 3.39Å; T758-Q762 VanDerWaalsContact O-CG 3.24Å; T758-Q762 WeakPolarHBondContact O-CG 3.45Å; T758-Q762 PolarHBondContact O-N 2.86Å; C759-Q762 CarbonylContact O-C 3.54Å; C759-Q762 WeakPolarHBondContact O-CA 3.43Å; C759-Q762 PolarHBondContact O-N 3.01Å; Q762-R765 PolarHBondContact O-N 3.44Å; Q762-N766 VanDerWaalsContact O-CB 3.31Å; Q762-N766 WeakPolarHBondContact O-CB 3.31Å; Q762-N766 PolarHBondContact O-N 2.7Å; Q762-N766 PolarHBondContact O-ND2 3.48Å; Q762-N766 PolarHBondContact O-OD1 3.24Å |
| 763 | E | 73.1 | Confident | 68.9 | Low | 118 Ų | 118 | 99.9 Ų | 99.9 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.2 | -47.2 | 173.4 | -72.6 | 174.1 | -168 | 0 | 0 | 111 | C759 R765 N766 F767 | C759-E763 WeakPolarHBondContact O-CB 3.48Å; C759-E763 WeakPolarHBondContact O-CG 3.4Å; C759-E763 PolarHBondContact O-N 2.91Å; E763-R765 PolarHBondContact O-N 3.42Å; E763-N766 PolarHBondContact O-N 2.74Å; E763-F767 WeakPolarHBondContact O-CB 3.42Å; E763-F767 PolarHBondContact O-N 3.19Å |
| 764 | L | 71.8 | Confident | 69.7 | Low | 95 Ų | 95 | 98.4 Ų | 98.4 | 50% | 0.497 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 175.2 | -177.6 | 61.2 | 0 | 0 | 0 | 112.1 | E760 F767 I768 | E760-L764 WeakPolarHBondContact O-CB 3.49Å; E760-L764 PolarHBondContact O-N 2.87Å; L764-F767 PolarHBondContact O-N 3.05Å; L764-I768 HydrophobicContact CD1-CD1 3.96Å; L764-I768 HydrophobicContact CD1-CG1 4.21Å; L764-I768 HydrophobicContact CG-CD1 3.84Å; L764-I768 HydrophobicContact CG-CG1 4.46Å; L764-I768 WeakPolarHBondContact O-CB 3.45Å; L764-I768 VanDerWaalsContact O-CG1 3.23Å; L764-I768 WeakPolarHBondContact O-CG1 3.3Å; L764-I768 PolarHBondContact O-N 3.4Å |
| 765 | R | 73.6 | Confident | 70.4 | Confident | 143 Ų | 143 | 96.3 Ų | 96.3 | 54% | 0.54 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 175.6 | -178.6 | 174.1 | 177.9 | -89.5 | 2.7 | 112.2 | Y761 Q762 E763 T769 | Y761-R765 WeakPolarHBondContact O-CB 3.32Å; Y761-R765 PolarHBondContact O-N 3.37Å; Q762-R765 PolarHBondContact O-N 3.44Å; E763-R765 PolarHBondContact O-N 3.42Å; R765-T769 PolarHBondContact O-N 3.14Å; R765-T769 PolarHBondContact O-OG1 2.92Å |
| 766 | N | 71.4 | Confident | 70.9 | Confident | 82 Ų | 82 | 97.4 Ų | 97.4 | 44% | 0.439 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.9 | -42.4 | 174.1 | -70.2 | -15.2 | 0 | 0 | 0 | 110.8 | Q762 E763 T769 Q770 | Q762-N766 VanDerWaalsContact O-CB 3.31Å; Q762-N766 WeakPolarHBondContact O-CB 3.31Å; Q762-N766 PolarHBondContact O-N 2.7Å; Q762-N766 PolarHBondContact O-ND2 3.48Å; Q762-N766 PolarHBondContact O-OD1 3.24Å; E763-N766 PolarHBondContact O-N 2.74Å; N766-T769 WeakPolarHBondContact CA-OG1 3.22Å; N766-T769 PolarHBondContact O-N 3.01Å; N766-T769 PolarHBondContact O-OG1 2.81Å; N766-T769 VanDerWaalsContact O-OG1 3.13Å; N766-Q770 WeakPolarHBondContact O-CB 3.3Å; N766-Q770 VanDerWaalsContact O-CG 3.28Å; N766-Q770 WeakPolarHBondContact O-CG 3.41Å; N766-Q770 PolarHBondContact O-N 2.78Å |
| 767 | F | 69.6 | Low | 70.9 | Confident | 30 Ų | 30 | 91.2 Ų | 91.2 | 13% | 0.132 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 173 | -179.5 | -88.2 | 0 | 0 | 0 | 111.4 | E763 L764 T769 Q770 F771 L852 L856 Y857 | E763-F767 WeakPolarHBondContact O-CB 3.42Å; E763-F767 PolarHBondContact O-N 3.19Å; L764-F767 PolarHBondContact O-N 3.05Å; F767-T769 PolarHBondContact O-N 3.1Å; F767-Q770 CarbonylContact O-C 3.56Å; F767-Q770 PolarHBondContact O-N 3.25Å; F767-F771 HydrophobicContact CE1-CB 4.44Å; F767-F771 VanDerWaalsContact O-CB 3.27Å; F767-F771 WeakPolarHBondContact O-CB 3.28Å; F767-F771 PolarHBondContact O-N 3.48Å; F767-L852 HydrophobicContact CE1-CD2 3.9Å; F767-L852 HydrophobicContact CE1-CG 4.07Å; F767-L852 HydrophobicContact CZ-CB 4.38Å; F767-L852 HydrophobicContact CZ-CD2 3.73Å; F767-L852 HydrophobicContact CZ-CG 3.87Å; F767-L856 HydrophobicContact CD2-CD1 4.01Å; F767-L856 HydrophobicContact CE2-CD1 3.62Å; F767-Y857 HydrophobicContact CE2-CE2 4.23Å |
| 768 | I | 71.7 | Confident | 71.4 | Confident | 74 Ų | 74 | 91.5 Ų | 91.5 | 38% | 0.379 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 178.5 | -71.7 | 168.6 | 0 | 0 | 0 | 111.4 | L764 F771 Q772 | L764-I768 HydrophobicContact CD1-CD1 3.96Å; L764-I768 HydrophobicContact CD1-CG1 4.21Å; L764-I768 HydrophobicContact CG-CD1 3.84Å; L764-I768 HydrophobicContact CG-CG1 4.46Å; L764-I768 WeakPolarHBondContact O-CB 3.45Å; L764-I768 VanDerWaalsContact O-CG1 3.23Å; L764-I768 WeakPolarHBondContact O-CG1 3.3Å; L764-I768 PolarHBondContact O-N 3.4Å; I768-F771 PolarHBondContact O-N 2.98Å; I768-Q772 HydrophobicContact CG2-CG 4.39Å; I768-Q772 VanDerWaalsContact O-CB 3.32Å; I768-Q772 WeakPolarHBondContact O-CB 3.41Å; I768-Q772 VanDerWaalsContact O-CG 3.25Å; I768-Q772 WeakPolarHBondContact O-CG 3.23Å; I768-Q772 PolarHBondContact O-N 3.23Å |
| 769 | T | 75.6 | Confident | 71.6 | Confident | 70 Ų | 70 | 93.8 Ų | 93.8 | 43% | 0.429 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71 | -35.4 | 176.1 | 43.3 | 0 | 0 | 0 | 0 | 112.6 | R765 N766 F767 A773 | R765-T769 PolarHBondContact O-N 3.14Å; R765-T769 PolarHBondContact O-OG1 2.92Å; N766-T769 WeakPolarHBondContact CA-OG1 3.22Å; N766-T769 PolarHBondContact O-N 3.01Å; N766-T769 PolarHBondContact O-OG1 2.81Å; N766-T769 VanDerWaalsContact O-OG1 3.13Å; F767-T769 PolarHBondContact O-N 3.1Å; T769-A773 WeakPolarHBondContact O-CB 3.31Å; T769-A773 PolarHBondContact O-N 2.93Å |
| 770 | Q | 69.2 | Low | 71.6 | Confident | 116 Ų | 116 | 96.8 Ų | 96.8 | 54% | 0.542 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 170.6 | -71.8 | 177 | 18.6 | 0 | 0 | 112.3 | N766 F767 A773 Y774 | N766-Q770 WeakPolarHBondContact O-CB 3.3Å; N766-Q770 VanDerWaalsContact O-CG 3.28Å; N766-Q770 WeakPolarHBondContact O-CG 3.41Å; N766-Q770 PolarHBondContact O-N 2.78Å; F767-Q770 CarbonylContact O-C 3.56Å; F767-Q770 PolarHBondContact O-N 3.25Å; Q770-A773 WeakPolarHBondContact O-CB 3.42Å; Q770-A773 PolarHBondContact O-N 2.85Å; Q770-Y774 PolarHBondContact O-N 3.28Å |
| 771 | F | 70.2 | Confident | 71.5 | Confident | 68 Ų | 68 | 99.1 Ų | 99.1 | 30% | 0.298 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 175.8 | -175.1 | -109.9 | 0 | 0 | 0 | 111.3 | F767 I768 A773 Y774 C775 | F767-F771 HydrophobicContact CE1-CB 4.44Å; F767-F771 VanDerWaalsContact O-CB 3.27Å; F767-F771 WeakPolarHBondContact O-CB 3.28Å; F767-F771 PolarHBondContact O-N 3.48Å; I768-F771 PolarHBondContact O-N 2.98Å; F771-A773 VanDerWaalsContact C-N 3.3Å; F771-A773 PolarHBondContact O-N 3.44Å; F771-Y774 PolarHBondContact O-N 3.27Å; F771-Y774 VanDerWaalsContact O-N 3.15Å; F771-C775 WeakPolarHBondContact O-CB 3.5Å; F771-C775 PolarHBondContact O-N 3.24Å; F771-C775 PolarHBondContact O-SG 3.39Å; F771-C775 VanDerWaalsContact O-SG 3.41Å |
| 772 | Q | 74.8 | Confident | 71.5 | Confident | 88 Ų | 88 | 99.3 Ų | 99.3 | 41% | 0.411 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 170.9 | -76.3 | -179.2 | 9.4 | 0 | 0 | 111.9 | I768 R776 | I768-Q772 HydrophobicContact CG2-CG 4.39Å; I768-Q772 VanDerWaalsContact O-CB 3.32Å; I768-Q772 WeakPolarHBondContact O-CB 3.41Å; I768-Q772 VanDerWaalsContact O-CG 3.25Å; I768-Q772 WeakPolarHBondContact O-CG 3.23Å; I768-Q772 PolarHBondContact O-N 3.23Å; Q772-R776 VanDerWaalsContact O-CB 3.26Å; Q772-R776 WeakPolarHBondContact O-CB 3.42Å; Q772-R776 WeakPolarHBondContact O-CD 3.43Å; Q772-R776 WeakPolarHBondContact O-CG 3.39Å; Q772-R776 PolarHBondContact O-N 2.72Å |
| 773 | A | 71.6 | Confident | 71.4 | Confident | 59 Ų | 59 | 99.8 Ų | 99.8 | 49% | 0.488 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | T769 Q770 F771 G777 | T769-A773 WeakPolarHBondContact O-CB 3.31Å; T769-A773 PolarHBondContact O-N 2.93Å; Q770-A773 WeakPolarHBondContact O-CB 3.42Å; Q770-A773 PolarHBondContact O-N 2.85Å; F771-A773 VanDerWaalsContact C-N 3.3Å; F771-A773 PolarHBondContact O-N 3.44Å; A773-G777 PolarHBondContact O-N 2.71Å |
| 774 | Y | 69.4 | Low | 70.7 | Confident | 158 Ų | 158 | 99 Ų | 99 | 62% | 0.62 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.3 | -46.1 | 175.7 | -112.8 | -86.5 | 0 | 0 | 0 | 112.5 | Q770 F771 G777 M778 | Q770-Y774 PolarHBondContact O-N 3.28Å; F771-Y774 PolarHBondContact O-N 3.27Å; F771-Y774 VanDerWaalsContact O-N 3.15Å; Y774-G777 CarbonylContact O-C 3.52Å; Y774-G777 PolarHBondContact O-N 3.45Å; Y774-M778 WeakPolarHBondContact O-CB 3.37Å; Y774-M778 PolarHBondContact O-N 3.32Å |
| 775 | C | 72.2 | Confident | 70.3 | Confident | 41 Ų | 41 | 103.9 Ų | 103.9 | 28% | 0.277 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 178.1 | -72.6 | 0 | 0 | 0 | 0 | 111.8 | F771 G777 M778 L779 | F771-C775 WeakPolarHBondContact O-CB 3.5Å; F771-C775 PolarHBondContact O-N 3.24Å; F771-C775 PolarHBondContact O-SG 3.39Å; F771-C775 VanDerWaalsContact O-SG 3.41Å; C775-G777 VanDerWaalsContact C-N 3.34Å; C775-G777 PolarHBondContact O-N 3.05Å; C775-M778 PolarHBondContact O-N 3.07Å; C775-L779 WeakPolarHBondContact O-CB 3.35Å; C775-L779 VanDerWaalsContact O-CG 3.32Å; C775-L779 WeakPolarHBondContact O-CG 3.48Å; C775-L779 PolarHBondContact O-N 2.82Å |
| 776 | R | 73.2 | Confident | 69.7 | Low | 174 Ų | 174 | 105 Ų | 105 | 66% | 0.657 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.4 | -45.2 | 169.3 | -74.4 | 169.3 | -177.3 | 171.3 | 3.8 | 111.2 | Q772 M778 L779 L780 | Q772-R776 VanDerWaalsContact O-CB 3.26Å; Q772-R776 WeakPolarHBondContact O-CB 3.42Å; Q772-R776 WeakPolarHBondContact O-CD 3.43Å; Q772-R776 WeakPolarHBondContact O-CG 3.39Å; Q772-R776 PolarHBondContact O-N 2.72Å; R776-M778 VanDerWaalsContact C-N 3.33Å; R776-M778 PolarHBondContact O-N 2.79Å; R776-L779 PolarHBondContact O-N 3.36Å; R776-L780 VanDerWaalsContact O-CB 3.29Å; R776-L780 WeakPolarHBondContact O-CB 3.49Å; R776-L780 PolarHBondContact O-N 2.92Å |
| 777 | G | 68.8 | Low | 68.9 | Low | 21 Ų | 21 | 103.1 Ų | 103.1 | 22% | 0.216 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -65.4 | -30.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A773 Y774 C775 R781 | A773-G777 PolarHBondContact O-N 2.71Å; Y774-G777 CarbonylContact O-C 3.52Å; Y774-G777 PolarHBondContact O-N 3.45Å; C775-G777 VanDerWaalsContact C-N 3.34Å; C775-G777 PolarHBondContact O-N 3.05Å; G777-R781 VanDerWaalsContact O-CB 3.3Å; G777-R781 WeakPolarHBondContact O-CB 3.47Å; G777-R781 WeakPolarHBondContact O-CG 3.48Å; G777-R781 PolarHBondContact O-N 3.45Å; G777-R781 PolarHBondContact O-NE 2.79Å |
| 778 | M | 74.3 | Confident | 68.3 | Low | 116 Ų | 116 | 107.6 Ų | 107.6 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -77.4 | -41.3 | 175.4 | -170.4 | 176.5 | 74.2 | 0 | 0 | 111.4 | Y774 C775 R776 L780 R781 R782 | Y774-M778 WeakPolarHBondContact O-CB 3.37Å; Y774-M778 PolarHBondContact O-N 3.32Å; C775-M778 PolarHBondContact O-N 3.07Å; R776-M778 VanDerWaalsContact C-N 3.33Å; R776-M778 PolarHBondContact O-N 2.79Å; M778-L780 VanDerWaalsContact C-N 3.35Å; M778-R781 CarbonylContact O-C 3.57Å; M778-R781 PolarHBondContact O-N 2.97Å; M778-R782 VanDerWaalsContact O-CB 3.31Å; M778-R782 WeakPolarHBondContact O-CB 3.22Å; M778-R782 PolarHBondContact O-N 3.26Å |
| 779 | L | 72 | Confident | 67.4 | Low | 114 Ų | 114 | 108.4 Ų | 108.4 | 60% | 0.597 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.7 | -43.6 | 171.8 | -71.4 | 169.9 | 0 | 0 | 0 | 110.8 | C775 R776 R782 H783 | C775-L779 WeakPolarHBondContact O-CB 3.35Å; C775-L779 VanDerWaalsContact O-CG 3.32Å; C775-L779 WeakPolarHBondContact O-CG 3.48Å; C775-L779 PolarHBondContact O-N 2.82Å; R776-L779 PolarHBondContact O-N 3.36Å; L779-R782 PolarHBondContact O-N 3.22Å; L779-H783 WeakPolarHBondContact O-CB 3.38Å; L779-H783 PolarHBondContact O-N 3.07Å |
| 780 | L | 71.4 | Confident | 65.8 | Low | 120 Ų | 120 | 109.2 Ų | 109.2 | 63% | 0.628 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 173.6 | -170.8 | 67.9 | 0 | 0 | 0 | 111.5 | R776 M778 R782 H783 L784 | R776-L780 VanDerWaalsContact O-CB 3.29Å; R776-L780 WeakPolarHBondContact O-CB 3.49Å; R776-L780 PolarHBondContact O-N 2.92Å; M778-L780 VanDerWaalsContact C-N 3.35Å; L780-R782 VanDerWaalsContact C-N 3.35Å; L780-R782 PolarHBondContact O-N 3.25Å; L780-H783 PolarHBondContact O-N 2.85Å; L780-L784 VanDerWaalsContact O-CB 3.31Å; L780-L784 WeakPolarHBondContact O-CB 3.43Å; L780-L784 PolarHBondContact O-N 2.65Å |
| 781 | R | 67.6 | Low | 64.2 | Low | 137 Ų | 137 | 106.8 Ų | 106.8 | 52% | 0.517 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.9 | -31.8 | 174.5 | -76.9 | 174.1 | -72.5 | -169.9 | 1.1 | 113.1 | G777 M778 R785 | G777-R781 VanDerWaalsContact O-CB 3.3Å; G777-R781 WeakPolarHBondContact O-CB 3.47Å; G777-R781 WeakPolarHBondContact O-CG 3.48Å; G777-R781 PolarHBondContact O-N 3.45Å; G777-R781 PolarHBondContact O-NE 2.79Å; M778-R781 CarbonylContact O-C 3.57Å; M778-R781 PolarHBondContact O-N 2.97Å; R781-R785 WeakPolarHBondContact O-CB 3.48Å; R781-R785 VanDerWaalsContact O-CG 3.32Å; R781-R785 WeakPolarHBondContact O-CG 3.41Å; R781-R785 PolarHBondContact O-N 3.12Å |
| 782 | R | 69.5 | Low | 62.6 | Low | 154 Ų | 154 | 110.4 Ų | 110.4 | 58% | 0.581 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -74.3 | -35.4 | 174.8 | -167 | 175.1 | -172.3 | 176.3 | 2.8 | 111.7 | M778 L779 L780 R786 | M778-R782 VanDerWaalsContact O-CB 3.31Å; M778-R782 WeakPolarHBondContact O-CB 3.22Å; M778-R782 PolarHBondContact O-N 3.26Å; L779-R782 PolarHBondContact O-N 3.22Å; L780-R782 VanDerWaalsContact C-N 3.35Å; L780-R782 PolarHBondContact O-N 3.25Å; R782-R786 WeakPolarHBondContact O-CG 3.05Å; R782-R786 PolarHBondContact O-N 3.1Å; R782-R786 VanDerWaalsContact O-N 3.17Å |
| 783 | H | 69 | Low | 60.7 | Low | 118 Ų | 118 | 113.5 Ų | 113.5 | 55% | 0.546 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.3 | -46.7 | 170.2 | -173.3 | 81.4 | 0 | 0 | 0 | 110.8 | L779 L780 R785 R786 C787 | L779-H783 WeakPolarHBondContact O-CB 3.38Å; L779-H783 PolarHBondContact O-N 3.07Å; L780-H783 PolarHBondContact O-N 2.85Å; H783-R785 PolarHBondContact O-N 3.37Å; H783-R786 CarbonylContact O-C 3.44Å; H783-R786 WeakPolarHBondContact O-CA 3.39Å; H783-R786 WeakPolarHBondContact O-CB 3.21Å; H783-R786 PolarHBondContact O-N 3.08Å; H783-C787 PolarHBondContact O-N 3.33Å; H783-C787 PolarHBondContact O-SG 2.84Å |
| 784 | L | 57.5 | Low | 58.9 | Low | 100 Ų | 100 | 121.9 Ų | 121.9 | 52% | 0.524 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.5 | -43.5 | 175.7 | -162.8 | 77.4 | 0 | 0 | 0 | 111.7 | L780 R786 C787 I788 | L780-L784 VanDerWaalsContact O-CB 3.31Å; L780-L784 WeakPolarHBondContact O-CB 3.43Å; L780-L784 PolarHBondContact O-N 2.65Å; L784-R786 VanDerWaalsContact C-N 3.3Å; L784-R786 PolarHBondContact O-N 3.31Å; L784-C787 PolarHBondContact O-N 3.18Å; L784-C787 VanDerWaalsContact O-N 3.14Å; L784-I788 HydrophobicContact CD2-CD1 4.35Å; L784-I788 HydrophobicContact CG-CD1 4.05Å; L784-I788 WeakPolarHBondContact O-CB 3.29Å; L784-I788 VanDerWaalsContact O-CG1 3.27Å; L784-I788 WeakPolarHBondContact O-CG1 3.26Å; L784-I788 PolarHBondContact O-N 3.14Å |
| 785 | R | 63.6 | Low | 57.3 | Low | 199 Ų | 199 | 122.1 Ų | 122.1 | 75% | 0.751 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.7 | -36.6 | 172.5 | -78.8 | 178.6 | -179.2 | -176.8 | 0.7 | 112.9 | R781 H783 A789 | R781-R785 WeakPolarHBondContact O-CB 3.48Å; R781-R785 VanDerWaalsContact O-CG 3.32Å; R781-R785 WeakPolarHBondContact O-CG 3.41Å; R781-R785 PolarHBondContact O-N 3.12Å; H783-R785 PolarHBondContact O-N 3.37Å; R785-A789 VanDerWaalsContact O-CB 3.3Å; R785-A789 WeakPolarHBondContact O-CB 3.12Å; R785-A789 PolarHBondContact O-N 2.89Å |
| 786 | R | 60.3 | Low | 55.1 | Low | 165 Ų | 165 | 127.9 Ų | 127.9 | 62% | 0.623 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.8 | -38.8 | 172.8 | -75.1 | 173.9 | 170.8 | 170.8 | -4.8 | 112.3 | R782 H783 L784 A789 S790 | R782-R786 WeakPolarHBondContact O-CG 3.05Å; R782-R786 PolarHBondContact O-N 3.1Å; R782-R786 VanDerWaalsContact O-N 3.17Å; H783-R786 CarbonylContact O-C 3.44Å; H783-R786 WeakPolarHBondContact O-CA 3.39Å; H783-R786 WeakPolarHBondContact O-CB 3.21Å; H783-R786 PolarHBondContact O-N 3.08Å; L784-R786 VanDerWaalsContact C-N 3.3Å; L784-R786 PolarHBondContact O-N 3.31Å; R786-A789 CarbonylContact O-C 3.56Å; R786-A789 PolarHBondContact O-N 2.7Å; R786-S790 PolarHBondContact O-N 3.38Å; R786-S790 VanDerWaalsContact O-N 3.15Å; R786-S790 PolarHBondContact O-OG 2.85Å |
| 787 | C | 56.3 | Low | 53.2 | Low | 44 Ų | 44 | 125.2 Ų | 125.2 | 30% | 0.297 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66.9 | -41.6 | 176.2 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | H783 L784 S790 G791 | H783-C787 PolarHBondContact O-N 3.33Å; H783-C787 PolarHBondContact O-SG 2.84Å; L784-C787 PolarHBondContact O-N 3.18Å; L784-C787 VanDerWaalsContact O-N 3.14Å; C787-S790 WeakPolarHBondContact CA-OG 3.41Å; C787-S790 CarbonylContact O-C 3.6Å; C787-S790 PolarHBondContact O-N 3.15Å; C787-S790 VanDerWaalsContact O-N 3.07Å; C787-S790 PolarHBondContact O-OG 3.38Å; C787-G791 PolarHBondContact O-N 3.01Å |
| 788 | I | 56.4 | Low | 51.4 | Low | 124 Ų | 124 | 127.4 Ų | 127.4 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -62.3 | -43.5 | 173.5 | -68.9 | 163.6 | 0 | 0 | 0 | 110.3 | L784 S790 G791 | L784-I788 HydrophobicContact CD2-CD1 4.35Å; L784-I788 HydrophobicContact CG-CD1 4.05Å; L784-I788 WeakPolarHBondContact O-CB 3.29Å; L784-I788 VanDerWaalsContact O-CG1 3.27Å; L784-I788 WeakPolarHBondContact O-CG1 3.26Å; L784-I788 PolarHBondContact O-N 3.14Å; I788-S790 PolarHBondContact O-N 3.03Å; I788-G791 PolarHBondContact O-N 3.17Å |
| 789 | A | 52.6 | Low | 49 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 75% | 0.752 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -3.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R785 R786 | R785-A789 VanDerWaalsContact O-CB 3.3Å; R785-A789 WeakPolarHBondContact O-CB 3.12Å; R785-A789 PolarHBondContact O-N 2.89Å; R786-A789 CarbonylContact O-C 3.56Å; R786-A789 PolarHBondContact O-N 2.7Å |
| 790 | S | 43 | Very low | 46.8 | Very low | 86 Ų | 86 | 127.6 Ų | 127.6 | 60% | 0.601 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 19.9 | 175.8 | 46.1 | 0 | 0 | 0 | 0 | 113.4 | R786 C787 I788 N792 | R786-S790 PolarHBondContact O-N 3.38Å; R786-S790 VanDerWaalsContact O-N 3.15Å; R786-S790 PolarHBondContact O-OG 2.85Å; C787-S790 WeakPolarHBondContact CA-OG 3.41Å; C787-S790 CarbonylContact O-C 3.6Å; C787-S790 PolarHBondContact O-N 3.15Å; C787-S790 VanDerWaalsContact O-N 3.07Å; C787-S790 PolarHBondContact O-OG 3.38Å; I788-S790 PolarHBondContact O-N 3.03Å; S790-N792 PolarHBondContact O-N 2.92Å |
| 791 | G | 34.9 | Very low | 44.8 | Very low | 66 Ų | 66 | 130.8 Ų | 130.8 | 68% | 0.68 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.4 | 10.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | C787 I788 N793 | C787-G791 PolarHBondContact O-N 3.01Å; I788-G791 PolarHBondContact O-N 3.17Å; G791-N793 PolarHBondContact O-N 3.42Å |
| 792 | N | 36.5 | Very low | 42.8 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 77% | 0.765 | 70% | 0.697 | S | S | * | * | trans | -96 | 96.4 | -172.7 | -129.9 | -25.2 | 0 | 0 | 0 | 112.6 | S790 | S790-N792 PolarHBondContact O-N 2.92Š| ||
| 793 | N | 35.5 | Very low | 40.6 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | trans | -92.4 | 99.1 | -176.2 | -97.2 | -22.6 | 0 | 0 | 0 | 113.2 | G791 | G791-N793 PolarHBondContact O-N 3.42Š| ||
| 794 | R | 34 | Very low | 38.6 | Very low | 235 Ų | 235 | 130.5 Ų | 130.5 | 89% | 0.887 | 72% | 0.717 | S | S | * | * | trans | 178.1 | 125.1 | 166.2 | -99.7 | 148.8 | -166 | -156.4 | 4.5 | 105.7 | ||||
| 795 | I | 33.8 | Very low | 37.1 | Very low | 162 Ų | 162 | 130 Ų | 130 | 83% | 0.831 | 73% | 0.728 | S | S | * | * | cis | -147.4 | 155.5 | 27.9 | -81.5 | 152.2 | 0 | 0 | 0 | 111.2 | ||||
| 796 | L | 26.4 | Very low | 35.2 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 85% | 0.848 | 73% | 0.725 | S | S | * | * | trans | -120.9 | 172.5 | 167 | -88.1 | 165.6 | 0 | 0 | 0 | 108.2 | ||||
| 797 | P | 33.7 | Very low | 33.4 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | cis | -142.3 | -166.2 | 21.2 | 42.9 | -22 | 0 | 0 | 0 | 116.2 | ||||
| 798 | G | 30.5 | Very low | 31.9 | Very low | 66 Ų | 66 | 130.7 Ų | 130.7 | 68% | 0.68 | 75% | 0.745 | S | S | * | * | trans | 125.7 | 85.2 | 171 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 799 | V | 25.5 | Very low | 30.3 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | cis | 70.2 | 123.3 | 38.4 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 800 | S | 25.6 | Very low | 29 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | cis | -168.8 | -175.3 | -11.5 | -101 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 801 | Q | 28.5 | Very low | 28 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | 82.9 | 145.4 | 168.6 | -57.6 | 179.6 | -12.9 | 0 | 0 | 117.9 | ||||
| 802 | S | 24.9 | Very low | 27.4 | Very low | 93 Ų | 93 | 140.7 Ų | 140.7 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | cis | -164.3 | 119.1 | -26 | 50.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 803 | Q | 24.8 | Very low | 26.9 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | 46.8 | 127.1 | 128.2 | -70.9 | 178.3 | -42.6 | 0 | 0 | 123.7 | |||||
| 804 | N | 26.4 | Very low | 26.2 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | trans | 68.3 | 157.4 | 132.3 | -48.2 | -7.6 | 0 | 0 | 0 | 117.6 | ||||
| 805 | A | 25.4 | Very low | 25.8 | Very low | 90 Ų | 90 | 130 Ų | 130 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | cis | -158.1 | -175.8 | 12.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 806 | I | 23.9 | Very low | 25.5 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | cis | -162.2 | 147.3 | -4.3 | -148.8 | 157.9 | 0 | 0 | 0 | 110.6 | ||||
| 807 | Q | 23 | Very low | 25.5 | Very low | 146 Ų | 146 | 126.2 Ų | 126.2 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | trans | 44.8 | 176.4 | 143.4 | -73.5 | -176.1 | -71.9 | 0 | 0 | 123.8 | ||||
| 808 | E | 24.4 | Very low | 25.3 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 65% | 0.645 | 73% | 0.728 | S | S | * | * | -173.1 | 153.2 | -52 | -108.5 | 173.2 | 173.3 | 0 | 0 | 111.2 | |||||
| 809 | H | 24.1 | Very low | 25.2 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | trans | 55.1 | 179.2 | 155.9 | -75.9 | -78.9 | 0 | 0 | 0 | 121.4 | ||||
| 810 | V | 23.8 | Very low | 25.5 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 61% | 0.606 | 72% | 0.721 | S | S | * | * | -164.8 | 169.5 | -60.3 | 78.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 811 | E | 23.6 | Very low | 25.9 | Very low | 158 Ų | 158 | 132 Ų | 132 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | trans | 69.7 | 160.6 | 159.9 | -77.9 | 166.7 | -145.2 | 0 | 0 | 120.1 | ||||
| 812 | L | 22.2 | Very low | 26 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 83% | 0.832 | 70% | 0.702 | S | S | * | * | cis | -156 | 166.5 | 2.6 | -129 | 168.5 | 0 | 0 | 0 | 112 | ||||
| 813 | G | 24.2 | Very low | 26.5 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 71% | 0.708 | S | S | * | * | trans | 91.7 | 128.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 814 | A | 22.6 | Very low | 27.2 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | cis | 74.3 | 136.2 | 20 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 815 | D | 25.1 | Very low | 27.8 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 85% | 0.845 | 68% | 0.684 | S | S | * | * | cis | -163.3 | -177.9 | -18.9 | -92.7 | -32.6 | 0 | 0 | 0 | 107.1 | ||||
| 816 | D | 26.5 | Very low | 28.3 | Very low | 146 Ų | 146 | 130 Ų | 130 | 78% | 0.781 | 69% | 0.685 | S | S | * | * | cis | -136.4 | -129.3 | 15.8 | -172.6 | 24.3 | 0 | 0 | 0 | 109.9 | ||||
| 817 | S | 26.5 | Very low | 29 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | cis | -158.2 | 176.8 | 1.1 | 72.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 818 | T | 29.4 | Very low | 29.7 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 66% | 0.656 | 66% | 0.659 | S | S | * | * | trans | -62 | 166.9 | 177.2 | 59.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 819 | D | 29.3 | Very low | 30.3 | Very low | 85 Ų | 85 | 122.9 Ų | 122.9 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | cis | -158.9 | 134.3 | 24.4 | -160.7 | -6.1 | 0 | 0 | 0 | 115.1 | K821 | D819-K821 VanDerWaalsContact OD1-CB 3.24Å; D819-K821 WeakPolarHBondContact OD1-CB 3.34Å; D819-K821 VanDerWaalsContact OD1-CD 3.23Å; D819-K821 WeakPolarHBondContact OD1-CD 3.27Å; D819-K821 WeakPolarHBondContact OD1-CE 3.4Å; D819-K821 WeakPolarHBondContact OD1-CG 3.42Å; D819-K821 PolarHBondContact OD1-N 2.79Å; D819-K821 IonicContact OD1-NZ 3.85Å; D819-K821 VanDerWaalsContact OD2-CD 3.31Å; D819-K821 WeakPolarHBondContact OD2-CD 3.43Å; D819-K821 WeakPolarHBondContact OD2-CE 3.48Å; D819-K821 IonicContact OD2-NZ 2.66Å; D819-K821 PolarHBondContact OD2-NZ 3.45Å | ||
| 820 | Y | 30.6 | Very low | 31 | Very low | 226 Ų | 226 | 123.4 Ų | 123.4 | 89% | 0.886 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -151.3 | 58 | 151.8 | -109.1 | -80.3 | 0 | 0 | 0 | 109 | ||
| 821 | K | 34.8 | Very low | 31.4 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 54% | 0.539 | 64% | 0.644 | S | S | . | * | trans | -42.8 | 155.1 | -166 | -102.7 | 155 | -156.5 | 150.9 | 0 | 120.8 | D819 V823 | D819-K821 VanDerWaalsContact OD1-CB 3.24Å; D819-K821 WeakPolarHBondContact OD1-CB 3.34Å; D819-K821 VanDerWaalsContact OD1-CD 3.23Å; D819-K821 WeakPolarHBondContact OD1-CD 3.27Å; D819-K821 WeakPolarHBondContact OD1-CE 3.4Å; D819-K821 WeakPolarHBondContact OD1-CG 3.42Å; D819-K821 PolarHBondContact OD1-N 2.79Å; D819-K821 IonicContact OD1-NZ 3.85Å; D819-K821 VanDerWaalsContact OD2-CD 3.31Å; D819-K821 WeakPolarHBondContact OD2-CD 3.43Å; D819-K821 WeakPolarHBondContact OD2-CE 3.48Å; D819-K821 IonicContact OD2-NZ 2.66Å; D819-K821 PolarHBondContact OD2-NZ 3.45Å; K821-V823 PolarHBondContact O-N 3.24Å; K821-V823 VanDerWaalsContact O-N 3.12Å | ||
| 822 | K | 30.8 | Very low | 31.9 | Very low | 149 Ų | 149 | 122.6 Ų | 122.6 | 65% | 0.648 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 77.2 | -36.9 | 142.5 | -79.7 | -177.7 | 170.6 | -166.9 | 0 | 120.4 | ||
| 823 | V | 35.2 | Very low | 32.3 | Very low | 128 Ų | 128 | 117.9 Ų | 117.9 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -25.4 | -171.3 | -175.7 | 0 | 0 | 0 | 0 | 113.5 | K821 | K821-V823 PolarHBondContact O-N 3.24Å; K821-V823 VanDerWaalsContact O-N 3.12Å |
| 824 | I | 40.5 | Very low | 32.5 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -27.1 | -177.8 | -67.3 | 177.5 | 0 | 0 | 0 | 112.4 | F828 | I824-F828 HydrophobicContact CG2-CD2 4.3Š|
| 825 | D | 37.1 | Very low | 32.9 | Very low | 77 Ų | 77 | 125.1 Ų | 125.1 | 41% | 0.412 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.8 | -41 | -172.8 | -60.8 | -62.8 | 0 | 0 | 0 | 112.7 | F827 F828 D829 | D825-F827 PolarHBondContact O-N 2.78Å; D825-F827 VanDerWaalsContact O-N 3.12Å; D825-F828 PolarHBondContact O-N 3.33Å; D825-D829 PolarHBondContact O-N 2.87Å |
| 826 | E | 36.1 | Very low | 33.1 | Very low | 161 Ų | 161 | 124.9 Ų | 124.9 | 75% | 0.752 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -57 | -31 | 176.1 | -68.3 | -176.6 | 169.9 | 0 | 0 | 112.9 | F828 | E826-F828 VanDerWaalsContact C-N 3.35Å |
| 827 | F | 39.5 | Very low | 33.8 | Very low | 135 Ų | 135 | 123.3 Ų | 123.3 | 59% | 0.592 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -77.8 | -15.5 | 177.2 | -171.2 | -102.7 | 0 | 0 | 0 | 114.3 | D825 | D825-F827 PolarHBondContact O-N 2.78Å; D825-F827 VanDerWaalsContact O-N 3.12Å |
| 828 | F | 37.9 | Very low | 33.7 | Very low | 59 Ų | 59 | 124.6 Ų | 124.6 | 26% | 0.259 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -109.9 | -24.3 | 179.6 | -83 | -77.5 | 0 | 0 | 0 | 114 | I824 D825 E826 F830 L831 | I824-F828 HydrophobicContact CG2-CD2 4.3Å; D825-F828 PolarHBondContact O-N 3.33Å; E826-F828 VanDerWaalsContact C-N 3.35Å; F828-F830 VanDerWaalsContact C-N 3.33Å; F828-F830 PolarHBondContact O-N 2.96Å; F828-L831 HydrophobicContact CD1-CD1 4.31Å; F828-L831 WeakPolarHBondContact O-CB 3.4Å; F828-L831 PolarHBondContact O-N 3.29Å |
| 829 | D | 36 | Very low | 33.6 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 42% | 0.417 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -77.8 | -18.5 | -178.9 | -66.6 | -11.6 | 0 | 0 | 0 | 112.7 | D825 L831 L832 K1054 | D825-D829 PolarHBondContact O-N 2.87Å; D829-L831 PolarHBondContact O-N 2.73Å; D829-L832 PolarHBondContact O-N 3.2Å; D829-K1054 IonicContact OD1-NZ 3.95Å; D829-K1054 PolarHBondContact OD1-NZ 3.11Å |
| 830 | F | 40.2 | Very low | 33.5 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 75% | 0.746 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -13.7 | 165.1 | -176.5 | -100.9 | 0 | 0 | 0 | 113.8 | F828 L832 | F828-F830 VanDerWaalsContact C-N 3.33Å; F828-F830 PolarHBondContact O-N 2.96Å; F830-L832 VanDerWaalsContact C-N 3.32Å |
| 831 | L | 32.7 | Very low | 33.3 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 51% | 0.508 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.7 | 6.7 | 173.7 | -70.6 | 165.8 | 0 | 0 | 0 | 113.8 | F828 D829 | F828-L831 HydrophobicContact CD1-CD1 4.31Å; F828-L831 WeakPolarHBondContact O-CB 3.4Å; F828-L831 PolarHBondContact O-N 3.29Å; D829-L831 PolarHBondContact O-N 2.73Å |
| 832 | L | 33.5 | Very low | 32.9 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -125.2 | 6.3 | -179.3 | -66.4 | 174.2 | 0 | 0 | 0 | 114 | D829 F830 | D829-L832 PolarHBondContact O-N 3.2Å; F830-L832 VanDerWaalsContact C-N 3.32Å |
| 833 | A | 29.6 | Very low | 32.6 | Very low | 60 Ų | 60 | 127.7 Ų | 127.7 | 50% | 0.496 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -111.9 | 161.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 834 | D | 28.6 | Very low | 32.2 | Very low | 155 Ų | 155 | 129 Ų | 129 | 83% | 0.829 | 69% | 0.685 | S | S | * | * | trans | 55.6 | 79.6 | 172.9 | -60.5 | -5.2 | 0 | 0 | 0 | 117.4 | ||||
| 835 | V | 30.3 | Very low | 31.5 | Very low | 145 Ų | 145 | 133 Ų | 133 | 88% | 0.879 | 70% | 0.701 | S | S | * | * | trans | -132.8 | 87.5 | 153.1 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 836 | D | 30.5 | Very low | 31.1 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 82% | 0.824 | 72% | 0.722 | S | S | * | * | trans | -82.7 | 143.5 | 172.3 | -127.8 | -15.9 | 0 | 0 | 0 | 110.7 | ||||
| 837 | P | 40.1 | Very low | 30.7 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | -97.2 | 111.8 | -168.1 | 34.7 | -31 | 0 | 0 | 0 | 113.7 | ||||
| 838 | V | 26.1 | Very low | 30.2 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 76% | 0.758 | 74% | 0.735 | S | S | * | * | trans | -130 | 99.7 | 176.2 | -175.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 839 | K | 26.4 | Very low | 29.9 | Very low | 198 Ų | 198 | 140.1 Ų | 140.1 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | trans | 62.3 | 140.3 | 142.2 | -65.1 | -177.2 | 177.7 | 179.5 | 0 | 122.4 | ||||
| 840 | E | 28 | Very low | 29.8 | Very low | 186 Ų | 186 | 143.4 Ų | 143.4 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -69.4 | 161.2 | 172.1 | -52.9 | 147.7 | 119.2 | 0 | 0 | 112.7 | ||||
| 841 | M | 26.1 | Very low | 29.7 | Very low | 183 Ų | 183 | 144 Ų | 144 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | trans | -148.3 | 151.2 | 134.1 | -146.6 | 160.7 | 68.6 | 0 | 0 | 110.8 | ||||
| 842 | S | 26 | Very low | 30.2 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | -82.2 | 178.1 | -177.3 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 843 | S | 24.6 | Very low | 30.9 | Very low | 89 Ų | 89 | 140 Ų | 140 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | cis | -159.5 | 163.7 | 8.9 | -1.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 844 | D | 25.5 | Very low | 32 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | 43.4 | 113.3 | 149.9 | -52.8 | -28.7 | 0 | 0 | 0 | 121.6 | ||||
| 845 | E | 27.6 | Very low | 33.1 | Very low | 207 Ų | 207 | 134.7 Ų | 134.7 | 97% | 0.967 | 71% | 0.714 | S | S | * | * | -153.3 | 153.8 | 117.8 | -124.9 | 178.1 | -161.4 | 0 | 0 | 111.7 | |||||
| 846 | M | 27.7 | Very low | 34 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 86% | 0.862 | 69% | 0.691 | S | S | * | * | trans | -95.4 | 127.7 | -167.4 | -73 | 167.9 | 43.5 | 0 | 0 | 114.4 | ||||
| 847 | V | 28.1 | Very low | 35.1 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 85% | 0.848 | 67% | 0.673 | S | S | * | * | trans | -140 | 133 | 145.9 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 848 | V | 29.2 | Very low | 36.4 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | trans | -75.6 | 131.4 | 177.3 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 849 | Q | 32.1 | Very low | 38.6 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 65% | 0.654 | 62% | 0.621 | S | S | * | * | trans | -112.3 | 136.6 | 161.9 | -69.8 | -165.2 | 8.5 | 0 | 0 | 110.2 | ||||
| 850 | E | 33.5 | Very low | 40.7 | Very low | 147 Ų | 147 | 115.9 Ų | 115.9 | 69% | 0.687 | 60% | 0.602 | S | S | * | * | trans | -75.2 | 136.9 | 174.1 | -62.9 | -175.6 | 118 | 0 | 0 | 111.1 | L852 | E850-L852 PolarHBondContact O-N 3.44Š| ||
| 851 | E | 37.6 | Very low | 42.7 | Very low | 183 Ų | 183 | 113.8 Ų | 113.8 | 86% | 0.855 | 59% | 0.586 | S | S | * | * | trans | -72.6 | 85.1 | 172.4 | -67.1 | -173 | 119.8 | 0 | 0 | 111 | ||||
| 852 | L | 42.6 | Very low | 45 | Very low | 82 Ų | 82 | 108.9 Ų | 108.9 | 43% | 0.429 | 56% | 0.56 | S | S | . | * | trans | -63 | 133.8 | 162 | -85 | 83.2 | 0 | 0 | 0 | 109.4 | F767 E850 M854 | F767-L852 HydrophobicContact CE1-CD2 3.9Å; F767-L852 HydrophobicContact CE1-CG 4.07Å; F767-L852 HydrophobicContact CZ-CB 4.38Å; F767-L852 HydrophobicContact CZ-CD2 3.73Å; F767-L852 HydrophobicContact CZ-CG 3.87Å; E850-L852 PolarHBondContact O-N 3.44Å; L852-M854 PolarHBondContact O-N 3.47Å | ||
| 853 | D | 49.7 | Very low | 47.5 | Very low | 76 Ų | 76 | 104.2 Ų | 104.2 | 41% | 0.406 | 53% | 0.527 | S | S | . | . | trans | -68.3 | 95.6 | 174.9 | -177.2 | 7.7 | 0 | 0 | 0 | 111.1 | N855 L856 | D853-N855 PolarHBondContact O-N 3.38Å; D853-N855 VanDerWaalsContact OD1-CB 3.25Å; D853-N855 WeakPolarHBondContact OD1-CB 3.44Å; D853-N855 PolarHBondContact OD1-N 3.26Å; D853-N855 PolarHBondContact OD1-ND2 3.14Å; D853-L856 PolarHBondContact O-N 3.49Å; D853-L856 VanDerWaalsContact O-N 3.15Å | ||
| 854 | M | 50.9 | Low | 49.9 | Very low | 34 Ų | 34 | 104.4 Ų | 104.4 | 17% | 0.167 | 53% | 0.534 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -8.1 | 178 | -65.3 | -76.5 | -66.8 | 0 | 0 | 114.1 | L852 L856 C1067 R1070 R1071 | L852-M854 PolarHBondContact O-N 3.47Å; M854-L856 VanDerWaalsContact C-N 3.33Å; M854-C1067 HydrophobicContact CE-CB 4.27Å; M854-R1070 HydrophobicContact CE-CB 3.54Å; M854-R1070 HydrophobicContact CE-CG 4.24Å; M854-R1071 VanDerWaalsContact C-CZ 3.5Å; M854-R1071 VanDerWaalsContact CB-NE 3.33Å; M854-R1071 HydrophobicContact CE-CG 4.14Å; M854-R1071 PolarHBondContact O-NE 3.02Å |
| 855 | N | 53.7 | Low | 52.2 | Low | 68 Ų | 68 | 100.5 Ų | 100.5 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -18.4 | 174.2 | -67.4 | -61.8 | 0 | 0 | 0 | 114.3 | D853 Y857 Q858 R1071 | D853-N855 PolarHBondContact O-N 3.38Å; D853-N855 VanDerWaalsContact OD1-CB 3.25Å; D853-N855 WeakPolarHBondContact OD1-CB 3.44Å; D853-N855 PolarHBondContact OD1-N 3.26Å; D853-N855 PolarHBondContact OD1-ND2 3.14Å; N855-Y857 VanDerWaalsContact C-N 3.34Å; N855-Q858 WeakPolarHBondContact O-CG 3.31Å; N855-Q858 PolarHBondContact OD1-NE2 2.85Å; N855-R1071 PolarHBondContact ND2-NH2 3.28Å; N855-R1071 PolarHBondContact OD1-NH1 3.23Å; N855-R1071 PolarHBondContact OD1-NH2 2.9Å |
| 856 | L | 48.4 | Very low | 54.5 | Low | 77 Ų | 77 | 97 Ų | 97 | 40% | 0.403 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -29.9 | 175.5 | -77.7 | 160.8 | 0 | 0 | 0 | 112.2 | F767 D853 M854 Q858 | F767-L856 HydrophobicContact CD2-CD1 4.01Å; F767-L856 HydrophobicContact CE2-CD1 3.62Å; D853-L856 PolarHBondContact O-N 3.49Å; D853-L856 VanDerWaalsContact O-N 3.15Å; M854-L856 VanDerWaalsContact C-N 3.33Å; L856-Q858 PolarHBondContact O-N 2.92Å |
| 857 | Y | 54.4 | Low | 57.2 | Low | 114 Ų | 114 | 89.7 Ų | 89.7 | 45% | 0.447 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 32.9 | -174.7 | -56.7 | -79.2 | 0 | 0 | 0 | 114 | F767 N855 F859 | F767-Y857 HydrophobicContact CE2-CE2 4.23Å; N855-Y857 VanDerWaalsContact C-N 3.34Å; Y857-F859 PolarHBondContact O-N 3.34Å |
| 858 | Q | 65.8 | Low | 59.6 | Low | 69 Ų | 69 | 86.1 Ų | 86.1 | 32% | 0.322 | 44% | 0.444 | S | S | . | . | trans | -68.2 | 128.7 | 175.1 | -69 | -175.9 | 13.6 | 0 | 0 | 111.4 | N855 L856 S860 R861 F862 | N855-Q858 WeakPolarHBondContact O-CG 3.31Å; N855-Q858 PolarHBondContact OD1-NE2 2.85Å; L856-Q858 PolarHBondContact O-N 2.92Å; Q858-S860 PolarHBondContact O-N 3.39Å; Q858-S860 PolarHBondContact OE1-OG 2.96Å; Q858-R861 WeakPolarHBondContact O-CB 3.47Å; Q858-R861 PolarHBondContact O-N 3.39Å; Q858-F862 PolarHBondContact O-N 3.33Å; Q858-F862 VanDerWaalsContact O-N 3.17Å | ||
| 859 | F | 72.9 | Confident | 61.5 | Low | 15 Ų | 15 | 83.1 Ų | 83.1 | 7% | 0.066 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62 | -27.1 | -179.8 | 177.1 | -109.1 | 0 | 0 | 0 | 113.9 | Y857 R861 F862 A863 F867 G873 C1044 T1048 F1068 | Y857-F859 PolarHBondContact O-N 3.34Å; F859-R861 VanDerWaalsContact C-N 3.31Å; F859-R861 PolarHBondContact O-N 3.16Å; F859-F862 HydrophobicContact CD2-CB 4.39Å; F859-F862 HydrophobicContact CD2-CD1 4.29Å; F859-F862 HydrophobicContact CE2-CD1 4.2Å; F859-F862 PolarHBondContact O-N 3.42Å; F859-A863 WeakPolarHBondContact O-CB 3.47Å; F859-A863 PolarHBondContact O-N 2.69Å; F859-F867 HydrophobicContact CE2-CZ 4.03Å; F859-F867 HydrophobicContact CZ-CE2 4.25Å; F859-F867 AromaticContact CZ-CZ 3.66Å; F859-F867 HydrophobicContact CZ-CZ 3.66Å; F859-G873 VanDerWaalsContact CE1-O 3.32Å; F859-G873 WeakPolarHBondContact CE1-O 3.13Å; F859-C1044 HydrophobicContact CD1-CB 4.04Å; F859-C1044 HydrophobicContact CD2-CB 3.89Å; F859-C1044 HydrophobicContact CE1-CB 3.51Å; F859-C1044 HydrophobicContact CE2-CB 3.36Å; F859-C1044 HydrophobicContact CG-CB 4.2Å; F859-C1044 HydrophobicContact CZ-CB 3.14Å; F859-T1048 WeakPolarHBondContact CD1-OG1 3.22Å; F859-F1068 HydrophobicContact CB-CD2 3.62Å; F859-F1068 HydrophobicContact CB-CE2 3.92Å; F859-F1068 HydrophobicContact CD1-CD2 4.09Å; F859-F1068 AromaticContact CD1-CE2 3.61Å; F859-F1068 HydrophobicContact CD1-CE2 3.61Å; F859-F1068 HydrophobicContact CD2-CD2 4.28Å; F859-F1068 HydrophobicContact CE1-CE2 4.26Å; F859-F1068 AromaticContact CG-CD2 3.73Å; F859-F1068 HydrophobicContact CG-CD2 3.73Å; F859-F1068 AromaticContact CG-CE2 3.76Å; F859-F1068 HydrophobicContact CG-CE2 3.76Å |
| 860 | S | 70.2 | Confident | 63.3 | Low | 66 Ų | 66 | 84.2 Ų | 84.2 | 46% | 0.462 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.7 | -40.9 | 169.8 | 48.3 | 0 | 0 | 0 | 0 | 112.7 | Q858 A864 | Q858-S860 PolarHBondContact O-N 3.39Å; Q858-S860 PolarHBondContact OE1-OG 2.96Å; S860-A864 WeakPolarHBondContact O-CB 3.43Å; S860-A864 PolarHBondContact O-N 2.87Å; S860-A864 VanDerWaalsContact O-N 3.14Å |
| 861 | R | 70.7 | Confident | 65.1 | Low | 142 Ų | 142 | 78.6 Ų | 78.6 | 54% | 0.536 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72.4 | -39.6 | 174.8 | -69.9 | -179.5 | 166.7 | 179.2 | -6.1 | 112 | Q858 F859 A864 A865 | Q858-R861 WeakPolarHBondContact O-CB 3.47Å; Q858-R861 PolarHBondContact O-N 3.39Å; F859-R861 VanDerWaalsContact C-N 3.31Å; F859-R861 PolarHBondContact O-N 3.16Å; R861-A864 PolarHBondContact O-N 2.95Å; R861-A865 WeakPolarHBondContact O-CB 3.43Å; R861-A865 PolarHBondContact O-N 3.44Å |
| 862 | F | 74.1 | Confident | 67 | Low | 80 Ų | 80 | 73.6 Ų | 73.6 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 175 | -176.6 | -85.9 | 0 | 0 | 0 | 111.3 | Q858 F859 A864 A865 Y866 F867 L885 | Q858-F862 PolarHBondContact O-N 3.33Å; Q858-F862 VanDerWaalsContact O-N 3.17Å; F859-F862 HydrophobicContact CD2-CB 4.39Å; F859-F862 HydrophobicContact CD2-CD1 4.29Å; F859-F862 HydrophobicContact CE2-CD1 4.2Å; F859-F862 PolarHBondContact O-N 3.42Å; F862-A864 PolarHBondContact O-N 2.99Å; F862-A865 PolarHBondContact O-N 2.73Å; F862-A865 VanDerWaalsContact O-N 3.17Å; F862-Y866 HydrophobicContact CD1-CD2 4.32Å; F862-Y866 AromaticContact CD2-CD2 3.5Å; F862-Y866 HydrophobicContact CD2-CD2 3.5Å; F862-Y866 AromaticContact CD2-CE2 3.79Å; F862-Y866 HydrophobicContact CD2-CE2 3.79Å; F862-Y866 HydrophobicContact CE1-CD2 4.27Å; F862-Y866 AromaticContact CE2-CD2 3.45Å; F862-Y866 HydrophobicContact CE2-CD2 3.45Å; F862-Y866 VanDerWaalsContact CE2-CD2 3.45Å; F862-Y866 AromaticContact CE2-CE2 3.79Å; F862-Y866 HydrophobicContact CE2-CE2 3.79Å; F862-Y866 HydrophobicContact CE2-CG 4.17Å; F862-Y866 AromaticContact CG-CD2 3.96Å; F862-Y866 HydrophobicContact CG-CD2 3.96Å; F862-Y866 AromaticContact CZ-CD2 3.85Å; F862-Y866 HydrophobicContact CZ-CD2 3.85Å; F862-Y866 HydrophobicContact CZ-CG 4.16Å; F862-Y866 WeakPolarHBondContact O-CD2 3.32Å; F862-Y866 PolarHBondContact O-N 2.92Å; F862-F867 HydrophobicContact CD1-CE1 4.31Å; F862-F867 HydrophobicContact CE1-CE1 4.23Å; F862-L885 HydrophobicContact CE1-CD2 4.32Å |
| 863 | A | 77.8 | Confident | 68.6 | Low | 2 Ų | 2 | 70.2 Ų | 70.2 | 2% | 0.017 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | F859 A865 Y866 F867 | F859-A863 WeakPolarHBondContact O-CB 3.47Å; F859-A863 PolarHBondContact O-N 2.69Å; A863-A865 PolarHBondContact O-N 2.78Å; A863-Y866 PolarHBondContact O-N 3.47Å; A863-F867 HydrophobicContact CB-CD1 4.34Å; A863-F867 HydrophobicContact CB-CD2 3.64Å; A863-F867 HydrophobicContact CB-CE1 4.33Å; A863-F867 HydrophobicContact CB-CE2 3.64Å; A863-F867 HydrophobicContact CB-CG 4.01Å; A863-F867 HydrophobicContact CB-CZ 4.01Å; A863-F867 WeakPolarHBondContact O-CB 3.26Å; A863-F867 PolarHBondContact O-N 2.74Å |
| 864 | A | 75.2 | Confident | 70 | Confident | 93 Ų | 93 | 69.2 Ų | 69.2 | 77% | 0.769 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.9 | -23.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S860 R861 F862 | S860-A864 WeakPolarHBondContact O-CB 3.43Å; S860-A864 PolarHBondContact O-N 2.87Å; S860-A864 VanDerWaalsContact O-N 3.14Å; R861-A864 PolarHBondContact O-N 2.95Å; F862-A864 PolarHBondContact O-N 2.99Å |
| 865 | A | 74.4 | Confident | 71.6 | Confident | 73 Ų | 73 | 70 Ų | 70 | 60% | 0.603 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -94.6 | -29.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | R861 F862 A863 | R861-A865 WeakPolarHBondContact O-CB 3.43Å; R861-A865 PolarHBondContact O-N 3.44Å; F862-A865 PolarHBondContact O-N 2.73Å; F862-A865 VanDerWaalsContact O-N 3.17Å; A863-A865 PolarHBondContact O-N 2.78Å |
| 866 | Y | 76.5 | Confident | 72.9 | Confident | 134 Ų | 134 | 68.4 Ų | 68.4 | 53% | 0.525 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -122.6 | -10.1 | -169.8 | -62.5 | -74.2 | 0 | 0 | 0 | 115.2 | F862 A863 | F862-Y866 HydrophobicContact CD1-CD2 4.32Å; F862-Y866 AromaticContact CD2-CD2 3.5Å; F862-Y866 HydrophobicContact CD2-CD2 3.5Å; F862-Y866 AromaticContact CD2-CE2 3.79Å; F862-Y866 HydrophobicContact CD2-CE2 3.79Å; F862-Y866 HydrophobicContact CE1-CD2 4.27Å; F862-Y866 AromaticContact CE2-CD2 3.45Å; F862-Y866 HydrophobicContact CE2-CD2 3.45Å; F862-Y866 VanDerWaalsContact CE2-CD2 3.45Å; F862-Y866 AromaticContact CE2-CE2 3.79Å; F862-Y866 HydrophobicContact CE2-CE2 3.79Å; F862-Y866 HydrophobicContact CE2-CG 4.17Å; F862-Y866 AromaticContact CG-CD2 3.96Å; F862-Y866 HydrophobicContact CG-CD2 3.96Å; F862-Y866 AromaticContact CZ-CD2 3.85Å; F862-Y866 HydrophobicContact CZ-CD2 3.85Å; F862-Y866 HydrophobicContact CZ-CG 4.16Å; F862-Y866 WeakPolarHBondContact O-CD2 3.32Å; F862-Y866 PolarHBondContact O-N 2.92Å; A863-Y866 PolarHBondContact O-N 3.47Å |
| 867 | F | 83.9 | Confident | 74.3 | Confident | 21 Ų | 21 | 72.3 Ų | 72.3 | 9% | 0.092 | 40% | 0.395 | C | S | . | . | trans | -80.9 | 125.6 | -178.5 | -74 | 6.5 | 0 | 0 | 0 | 112.9 | F859 F862 A863 A871 L884 L885 C1041 | F859-F867 HydrophobicContact CE2-CZ 4.03Å; F859-F867 HydrophobicContact CZ-CE2 4.25Å; F859-F867 AromaticContact CZ-CZ 3.66Å; F859-F867 HydrophobicContact CZ-CZ 3.66Å; F862-F867 HydrophobicContact CD1-CE1 4.31Å; F862-F867 HydrophobicContact CE1-CE1 4.23Å; A863-F867 HydrophobicContact CB-CD1 4.34Å; A863-F867 HydrophobicContact CB-CD2 3.64Å; A863-F867 HydrophobicContact CB-CE1 4.33Å; A863-F867 HydrophobicContact CB-CE2 3.64Å; A863-F867 HydrophobicContact CB-CG 4.01Å; A863-F867 HydrophobicContact CB-CZ 4.01Å; A863-F867 WeakPolarHBondContact O-CB 3.26Å; A863-F867 PolarHBondContact O-N 2.74Å; F867-A871 HydrophobicContact CB-CB 4.34Å; F867-A871 HydrophobicContact CD2-CB 4.19Å; F867-A871 WeakPolarHBondContact CD2-O 3.29Å; F867-L884 CarbonylContact C-O 3.27Å; F867-L884 WeakPolarHBondContact CA-O 3.18Å; F867-L884 HydrophobicContact CD1-CB 4.16Å; F867-L884 HydrophobicContact CD2-CD2 4.01Å; F867-L884 HydrophobicContact CE1-CB 4.1Å; F867-L884 HydrophobicContact CE1-CD1 4.47Å; F867-L884 HydrophobicContact CE2-CB 4.46Å; F867-L884 HydrophobicContact CE2-CD1 3.94Å; F867-L884 HydrophobicContact CE2-CD2 4.05Å; F867-L884 HydrophobicContact CE2-CG 4.38Å; F867-L884 HydrophobicContact CG-CB 4.36Å; F867-L884 HydrophobicContact CZ-CB 4.25Å; F867-L884 HydrophobicContact CZ-CD1 3.83Å; F867-L884 HydrophobicContact CZ-CG 4.46Å; F867-L885 HydrophobicContact CD1-CD2 4.13Å; F867-L885 HydrophobicContact CE1-CD2 4.26Å; F867-C1041 HydrophobicContact CE1-CB 3.78Å; F867-C1041 HydrophobicContact CZ-CB 3.86Å | ||
| 868 | V | 77.5 | Confident | 75.3 | Confident | 65 Ų | 65 | 74.6 Ų | 74.6 | 39% | 0.394 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -74.5 | 154.8 | 175.8 | -134.6 | 0 | 0 | 0 | 0 | 111 | N870 L884 L885 | V868-N870 VanDerWaalsContact C-N 3.33Å; V868-N870 PolarHBondContact O-N 3.33Å; V868-L884 WeakPolarHBondContact CG2-O 3.43Å; V868-L884 PolarHBondContact N-O 2.75Å; V868-L885 VanDerWaalsContact CG2-C 3.49Å |
| 869 | G | 69.9 | Low | 75.8 | Confident | 64 Ų | 64 | 75.3 Ų | 75.3 | 66% | 0.66 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | 68.5 | 24.1 | 172 | 0 | 0 | 0 | 0 | 0 | 115.7 | A871 | G869-A871 PolarHBondContact O-N 2.85Š|
| 870 | N | 69.4 | Low | 75.8 | Confident | 164 Ų | 164 | 75.5 Ų | 75.5 | 88% | 0.877 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | 58 | 28.3 | -178.2 | -61.2 | -10.9 | 0 | 0 | 0 | 114.2 | V868 | V868-N870 VanDerWaalsContact C-N 3.33Å; V868-N870 PolarHBondContact O-N 3.33Å |
| 871 | A | 71.1 | Confident | 75.9 | Confident | 28 Ų | 28 | 83.7 Ų | 83.7 | 23% | 0.231 | 44% | 0.435 | C | S | . | . | trans | -67.6 | 133.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F867 G869 L884 | F867-A871 HydrophobicContact CB-CB 4.34Å; F867-A871 HydrophobicContact CD2-CB 4.19Å; F867-A871 WeakPolarHBondContact CD2-O 3.29Å; G869-A871 PolarHBondContact O-N 2.85Å; A871-L884 HydrophobicContact CB-CD2 3.71Å | ||
| 872 | T | 78.7 | Confident | 75.9 | Confident | 78 Ų | 78 | 79.1 Ų | 79.1 | 48% | 0.479 | 43% | 0.425 | S | S | . | . | trans | -74.3 | 157 | 177 | 66.8 | 0 | 0 | 0 | 0 | 112.3 | T874 K1045 | T872-T874 WeakPolarHBondContact CB-OG1 3.14Å; T872-T874 PolarHBondContact O-N 3.17Å; T872-T874 PolarHBondContact OG1-N 3.35Å; T872-T874 PolarHBondContact OG1-OG1 3.02Å; T872-K1045 WeakPolarHBondContact O-CD 3.25Å; T872-K1045 PolarHBondContact O-NZ 2.87Å; T872-K1045 PolarHBondContact OG1-NZ 2.7Å; T872-K1045 VanDerWaalsContact OG1-NZ 3.08Å | ||
| 873 | G | 75 | Confident | 76.1 | Confident | 11 Ų | 11 | 76 Ų | 76 | 11% | 0.113 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -75.6 | 5.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F859 T1048 | F859-G873 VanDerWaalsContact CE1-O 3.32Å; F859-G873 WeakPolarHBondContact CE1-O 3.13Å; G873-T1048 WeakPolarHBondContact O-CB 3.21Å; G873-T1048 WeakPolarHBondContact O-CG2 3.37Å; G873-T1048 PolarHBondContact O-OG1 3.28Å |
| 874 | T | 80.1 | Confident | 76.3 | Confident | 55 Ų | 55 | 76 Ų | 76 | 34% | 0.337 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -106.4 | 158.8 | -170.8 | 51.4 | 0 | 0 | 0 | 0 | 114 | T872 K1045 T1048 | T872-T874 WeakPolarHBondContact CB-OG1 3.14Å; T872-T874 PolarHBondContact O-N 3.17Å; T872-T874 PolarHBondContact OG1-N 3.35Å; T872-T874 PolarHBondContact OG1-OG1 3.02Å; T874-K1045 CarbonylContact C-O 3.5Å; T874-K1045 WeakPolarHBondContact O-CG 3.4Å; T874-K1045 PolarHBondContact O-NZ 3.01Å; T874-T1048 HydrophobicContact CG2-CG2 4.38Å |
| 875 | Y | 83.7 | Confident | 76.6 | Confident | 52 Ų | 52 | 72.6 Ų | 72.6 | 20% | 0.204 | 38% | 0.381 | C | S | . | . | trans | -47.1 | 141.2 | 175.9 | 172.7 | -101.3 | 0 | 0 | 0 | 113.7 | R877 D911 K1045 Q1046 T1048 N1050 | Y875-R877 HydrophobicContact CE1-CG 4.24Å; Y875-R877 WeakPolarHBondContact OH-CG 3.48Å; Y875-R877 PolarHBondContact OH-NE 3.28Å; Y875-D911 HydrophobicContact CE2-CB 4.48Å; Y875-D911 WeakPolarHBondContact CE2-OD1 3.37Å; Y875-D911 PolarHBondContact OH-OD1 3.48Å; Y875-K1045 VanDerWaalsContact CA-O 3.29Å; Y875-K1045 WeakPolarHBondContact CA-O 3.34Å; Y875-K1045 PolarHBondContact N-O 3.02Å; Y875-Q1046 VanDerWaalsContact CD2-NE2 3.31Å; Y875-Q1046 VanDerWaalsContact CE2-NE2 3.29Å; Y875-T1048 WeakPolarHBondContact CB-O 3.13Å; Y875-T1048 PolarHBondContact N-O 2.88Å; Y875-N1050 HydrophobicContact CD2-CB 3.52Å; Y875-N1050 WeakPolarHBondContact CD2-ND2 3.49Å; Y875-N1050 HydrophobicContact CE2-CB 4.07Å; Y875-N1050 WeakPolarHBondContact CE2-ND2 3.43Å; Y875-N1050 WeakPolarHBondContact CE2-OD1 3.3Å; Y875-N1050 HydrophobicContact CG-CB 3.84Å | ||
| 876 | T | 81.4 | Confident | 76.7 | Confident | 34 Ų | 34 | 75.3 Ų | 75.3 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | trans | -154.9 | 143.5 | 169 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | K878 W902 Q1046 | T876-K878 VanDerWaalsContact C-N 3.33Å; T876-K878 WeakPolarHBondContact OG1-CB 3.39Å; T876-K878 PolarHBondContact OG1-N 2.96Å; T876-K878 VanDerWaalsContact OG1-N 3.1Å; T876-W902 HydrophobicContact CG2-CH2 4.23Å; T876-W902 HydrophobicContact CG2-CZ2 3.66Å; T876-Q1046 VanDerWaalsContact O-CD 3.31Å; T876-Q1046 PolarHBondContact O-NE2 2.63Å; T876-Q1046 VanDerWaalsContact O-NE2 3.1Å; T876-Q1046 PolarHBondContact O-OE1 2.78Å | ||
| 877 | R | 76.8 | Confident | 76.4 | Confident | 158 Ų | 158 | 69.3 Ų | 69.3 | 60% | 0.596 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -84.3 | -7.8 | 168 | -61.9 | -169.7 | -177.1 | 175.2 | 1.6 | 113.1 | Y875 D911 | Y875-R877 HydrophobicContact CE1-CG 4.24Å; Y875-R877 WeakPolarHBondContact OH-CG 3.48Å; Y875-R877 PolarHBondContact OH-NE 3.28Å; R877-D911 HydrophobicContact CG-CB 4.37Å |
| 878 | K | 76.9 | Confident | 75.4 | Confident | 163 Ų | 163 | 74.9 Ų | 74.9 | 71% | 0.709 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -73.6 | 140 | -180 | -63.6 | -178.3 | 178.9 | 178.4 | 0 | 110 | T876 W902 | T876-K878 VanDerWaalsContact C-N 3.33Å; T876-K878 WeakPolarHBondContact OG1-CB 3.39Å; T876-K878 PolarHBondContact OG1-N 2.96Å; T876-K878 VanDerWaalsContact OG1-N 3.1Å; K878-W902 PolarHBondContact O-NE1 3.05Å |
| 879 | I | 74.8 | Confident | 74.6 | Confident | 83 Ų | 83 | 73.6 Ų | 73.6 | 43% | 0.426 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -67 | 135 | 173 | -57.2 | 175.5 | 0 | 0 | 0 | 108.7 | I899 I903 | I879-I899 HydrophobicContact CG2-CG2 3.59Å; I879-I903 HydrophobicContact CD1-CD1 4.23Å; I879-I903 HydrophobicContact CD1-CG1 4.14Å; I879-I903 HydrophobicContact CG1-CG1 4.26Å; I879-I903 HydrophobicContact CG2-CD1 4.14Å; I879-I903 HydrophobicContact CG2-CG1 3.97Å |
| 880 | L | 74.5 | Confident | 73.9 | Confident | 20 Ų | 20 | 73.8 Ų | 73.8 | 11% | 0.105 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 146.8 | 173.5 | -66.6 | 177.1 | 0 | 0 | 0 | 110.7 | L884 I899 W902 Q1042 | L880-L884 HydrophobicContact CD1-CD1 4.33Å; L880-L884 HydrophobicContact CD1-CD2 3.89Å; L880-L884 HydrophobicContact CD1-CG 3.84Å; L880-L884 HydrophobicContact CD2-CD2 3.94Å; L880-I899 WeakPolarHBondContact O-CD1 3.38Å; L880-I899 WeakPolarHBondContact O-CG1 3.41Å; L880-W902 HydrophobicContact CB-CG 4.28Å; L880-W902 HydrophobicContact CD1-CB 4.21Å; L880-W902 HydrophobicContact CD1-CD2 3.57Å; L880-W902 HydrophobicContact CD1-CE3 3.5Å; L880-W902 HydrophobicContact CD1-CG 3.89Å; L880-W902 HydrophobicContact CD1-CZ3 4.08Å; L880-W902 HydrophobicContact CG-CB 4.47Å; L880-W902 HydrophobicContact CG-CD2 3.59Å; L880-W902 HydrophobicContact CG-CE3 4Å; L880-W902 HydrophobicContact CG-CG 3.79Å; L880-W902 HydrophobicContact CG-CZ2 4.35Å; L880-W902 HydrophobicContact CG-CZ3 4.5Å; L880-Q1042 HydrophobicContact CD1-CG 4.23Å |
| 881 | R | 71.2 | Confident | 73.2 | Confident | 238 Ų | 238 | 67.5 Ų | 67.5 | 90% | 0.898 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -101.4 | -8.5 | 176.3 | -67.5 | -175.3 | 174.8 | -171.8 | -3.1 | 113.6 | ||
| 882 | S | 71.8 | Confident | 72.6 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -154.5 | 159.2 | -179.7 | 58.5 | 0 | 0 | 0 | 0 | 108.3 | ||
| 883 | P | 78.1 | Confident | 71.5 | Confident | 14 Ų | 14 | 67.2 Ų | 67.2 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | trans | -57.9 | 156.8 | 167.6 | 25.9 | -34.9 | 0 | 0 | 0 | 111.8 | S898 E1038 | P883-S898 WeakPolarHBondContact CA-OG 3.38Å; P883-E1038 WeakPolarHBondContact CA-OE1 3.31Å | ||
| 884 | L | 81.6 | Confident | 70.2 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -76.3 | -35 | 174.7 | -63.9 | 179.5 | 0 | 0 | 0 | 111.2 | F867 V868 A871 L880 E1038 C1041 Q1042 K1045 | F867-L884 CarbonylContact C-O 3.27Å; F867-L884 WeakPolarHBondContact CA-O 3.18Å; F867-L884 HydrophobicContact CD1-CB 4.16Å; F867-L884 HydrophobicContact CD2-CD2 4.01Å; F867-L884 HydrophobicContact CE1-CB 4.1Å; F867-L884 HydrophobicContact CE1-CD1 4.47Å; F867-L884 HydrophobicContact CE2-CB 4.46Å; F867-L884 HydrophobicContact CE2-CD1 3.94Å; F867-L884 HydrophobicContact CE2-CD2 4.05Å; F867-L884 HydrophobicContact CE2-CG 4.38Å; F867-L884 HydrophobicContact CG-CB 4.36Å; F867-L884 HydrophobicContact CZ-CB 4.25Å; F867-L884 HydrophobicContact CZ-CD1 3.83Å; F867-L884 HydrophobicContact CZ-CG 4.46Å; V868-L884 WeakPolarHBondContact CG2-O 3.43Å; V868-L884 PolarHBondContact N-O 2.75Å; A871-L884 HydrophobicContact CB-CD2 3.71Å; L880-L884 HydrophobicContact CD1-CD1 4.33Å; L880-L884 HydrophobicContact CD1-CD2 3.89Å; L880-L884 HydrophobicContact CD1-CG 3.84Å; L880-L884 HydrophobicContact CD2-CD2 3.94Å; L884-E1038 PolarHBondContact N-OE1 3.43Å; L884-E1038 PolarHBondContact N-OE2 3.37Å; L884-C1041 HydrophobicContact CB-CB 4.48Å; L884-C1041 HydrophobicContact CD1-CB 4.08Å; L884-Q1042 HydrophobicContact CD1-CB 4.31Å; L884-Q1042 HydrophobicContact CD1-CG 3.64Å; L884-Q1042 HydrophobicContact CG-CG 4.23Å; L884-K1045 HydrophobicContact CD1-CB 4.44Å; L884-K1045 HydrophobicContact CD1-CD 4.05Å; L884-K1045 HydrophobicContact CD2-CD 4.07Å |
| 885 | L | 81.6 | Confident | 68.8 | Low | 22 Ų | 22 | 69.4 Ų | 69.4 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -108.8 | 162.2 | 178.7 | -58.3 | -179 | 0 | 0 | 0 | 112.2 | F862 F867 V868 H887 D1037 E1038 | F862-L885 HydrophobicContact CE1-CD2 4.32Å; F867-L885 HydrophobicContact CD1-CD2 4.13Å; F867-L885 HydrophobicContact CE1-CD2 4.26Å; V868-L885 VanDerWaalsContact CG2-C 3.49Å; L885-H887 PolarHBondContact O-CD2 3.26Å; L885-D1037 HydrophobicContact CD1-CB 3.67Å; L885-E1038 PolarHBondContact N-OE2 3.2Å |
| 886 | H | 76.4 | Confident | 67.6 | Low | 130 Ų | 130 | 69.3 Ų | 69.3 | 60% | 0.602 | 36% | 0.359 | S | S | * | . | trans | -80.1 | 123.9 | 171.2 | -176.5 | -75.9 | 0 | 0 | 0 | 110.5 | D888 | H886-D888 IonicContact CE1-OD1 3.51Å; H886-D888 PolarHBondContact CE1-OD1 3.49Å; H886-D888 IonicContact ND1-OD1 2.72Å | ||
| 887 | H | 70.5 | Confident | 66.5 | Low | 9 Ų | 9 | 68.3 Ų | 68.3 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | trans | -111.4 | 144.6 | 175.3 | -62.3 | -78.6 | 0 | 0 | 0 | 110 | L885 D892 Q893 Q1034 E1038 | L885-H887 PolarHBondContact O-CD2 3.26Å; H887-D892 HydrophobicContact CB-CB 3.82Å; H887-Q893 HydrophobicContact CB-CG 4.49Å; H887-Q893 WeakPolarHBondContact O-CG 3.36Å; H887-Q893 PolarHBondContact O-NE2 3.41Å; H887-Q1034 PolarHBondContact CE1-O 3.09Å; H887-E1038 IonicContact CD2-OE2 3.37Å; H887-E1038 IonicContact CE1-OE2 3.47Å; H887-E1038 IonicContact NE2-OE2 2.83Å; H887-E1038 PolarHBondContact NE2-OE2 3.35Å | ||
| 888 | D | 62.3 | Low | 66 | Low | 137 Ų | 137 | 60.8 Ų | 60.8 | 73% | 0.733 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -85.9 | -13.5 | -177.4 | -69.6 | -19.4 | 0 | 0 | 0 | 113.3 | H886 | H886-D888 IonicContact CE1-OD1 3.51Å; H886-D888 PolarHBondContact CE1-OD1 3.49Å; H886-D888 IonicContact ND1-OD1 2.72Å |
| 889 | N | 60 | Low | 65.8 | Low | 39 Ų | 39 | 54 Ų | 54 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -92.5 | 128.3 | 179.1 | -176 | 5.2 | 0 | 0 | 0 | 111.2 | I891 D892 Q893 N946 | N889-I891 PolarHBondContact O-N 2.83Å; N889-I891 VanDerWaalsContact O-N 3.09Å; N889-I891 PolarHBondContact OD1-N 3.41Å; N889-D892 HydrophobicContact CB-CB 4.21Å; N889-D892 VanDerWaalsContact CB-OD2 3.31Å; N889-D892 WeakPolarHBondContact CB-OD2 3.28Å; N889-D892 PolarHBondContact ND2-OD2 3.17Å; N889-D892 PolarHBondContact O-N 3.47Å; N889-Q893 PolarHBondContact O-N 2.93Å; N889-N946 PolarHBondContact ND2-OD1 2.88Å |
| 890 | A | 56.6 | Low | 65.8 | Low | 68 Ų | 68 | 50.7 Ų | 50.7 | 56% | 0.562 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -56.5 | -27.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A894 | A890-A894 WeakPolarHBondContact O-CA 3.39Å; A890-A894 WeakPolarHBondContact O-CB 3.47Å; A890-A894 PolarHBondContact O-N 2.91Å |
| 891 | I | 54.2 | Low | 66.1 | Low | 32 Ų | 32 | 49.7 Ų | 49.7 | 16% | 0.164 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -80.7 | -26.2 | -179.8 | -57 | 149.1 | 0 | 0 | 0 | 112.2 | N889 S897 S945 N946 | N889-I891 PolarHBondContact O-N 2.83Å; N889-I891 VanDerWaalsContact O-N 3.09Å; N889-I891 PolarHBondContact OD1-N 3.41Å; I891-S897 PolarHBondContact O-OG 3.39Å; I891-S945 VanDerWaalsContact CD1-C 3.4Å; I891-S945 VanDerWaalsContact CD1-O 3.22Å; I891-S945 WeakPolarHBondContact CD1-O 3.44Å; I891-N946 HydrophobicContact CD1-CB 4.1Å; I891-N946 WeakPolarHBondContact CD1-ND2 3.44Å; I891-N946 VanDerWaalsContact CD1-OD1 3.29Å; I891-N946 WeakPolarHBondContact CD1-OD1 3.5Å |
| 892 | D | 59 | Low | 66.8 | Low | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -87.4 | -25.4 | 175.4 | -61.9 | -52.4 | 0 | 0 | 0 | 110.6 | H887 N889 R1032 L1035 | H887-D892 HydrophobicContact CB-CB 3.82Å; N889-D892 HydrophobicContact CB-CB 4.21Å; N889-D892 VanDerWaalsContact CB-OD2 3.31Å; N889-D892 WeakPolarHBondContact CB-OD2 3.28Å; N889-D892 PolarHBondContact ND2-OD2 3.17Å; N889-D892 PolarHBondContact O-N 3.47Å; D892-R1032 VanDerWaalsContact OD1-CD 3.23Å; D892-R1032 WeakPolarHBondContact OD1-CD 3.27Å; D892-R1032 IonicContact OD1-CZ 3.75Å; D892-R1032 IonicContact OD1-NE 3.91Å; D892-R1032 IonicContact OD1-NH1 2.7Å; D892-R1032 PolarHBondContact OD1-NH1 2.8Å; D892-L1035 HydrophobicContact CB-CD2 4Å |
| 893 | Q | 55.1 | Low | 67.3 | Low | 94 Ų | 94 | 36.8 Ų | 36.8 | 44% | 0.439 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -75.5 | -38.9 | 165.1 | -67.6 | -168.6 | -7.9 | 0 | 0 | 113.6 | H887 N889 A895 | H887-Q893 HydrophobicContact CB-CG 4.49Å; H887-Q893 WeakPolarHBondContact O-CG 3.36Å; H887-Q893 PolarHBondContact O-NE2 3.41Å; N889-Q893 PolarHBondContact O-N 2.93Å; Q893-A895 PolarHBondContact O-N 2.82Å |
| 894 | A | 47.5 | Very low | 67.5 | Low | 61 Ų | 61 | 36.2 Ų | 36.2 | 50% | 0.504 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -73.3 | 86.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A890 S896 | A890-A894 WeakPolarHBondContact O-CA 3.39Å; A890-A894 WeakPolarHBondContact O-CB 3.47Å; A890-A894 PolarHBondContact O-N 2.91Å; A894-S896 VanDerWaalsContact C-N 3.33Å; A894-S896 PolarHBondContact O-N 2.9Å |
| 895 | A | 51.4 | Low | 67.7 | Low | 51 Ų | 51 | 36.1 Ų | 36.1 | 42% | 0.421 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 38.9 | -79.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116 | Q893 S897 S898 I899 | Q893-A895 PolarHBondContact O-N 2.82Å; A895-S897 PolarHBondContact O-N 2.86Å; A895-S898 PolarHBondContact O-N 2.65Å; A895-I899 HydrophobicContact CB-CD1 3.95Å; A895-I899 WeakPolarHBondContact O-CB 3.33Å; A895-I899 WeakPolarHBondContact O-CG1 3.4Å; A895-I899 PolarHBondContact O-N 2.97Å; A895-I899 VanDerWaalsContact O-N 3.09Å |
| 896 | S | 57.5 | Low | 67.8 | Low | 51 Ų | 51 | 35.2 Ų | 35.2 | 36% | 0.357 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -41.9 | -52.4 | -171.9 | -172 | 0 | 0 | 0 | 0 | 114.8 | A894 I899 N900 | A894-S896 VanDerWaalsContact C-N 3.33Å; A894-S896 PolarHBondContact O-N 2.9Å; S896-I899 PolarHBondContact O-N 2.69Å; S896-N900 WeakPolarHBondContact O-CB 3.38Å; S896-N900 PolarHBondContact O-N 3.24Å; S896-N900 PolarHBondContact O-ND2 3.33Å; S896-N900 PolarHBondContact OG-ND2 3.44Å |
| 897 | S | 59.9 | Low | 68.1 | Low | 13 Ų | 13 | 30 Ų | 30 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -52.6 | -172.2 | -57.3 | 0 | 0 | 0 | 0 | 113.2 | I891 A895 I901 R1032 | I891-S897 PolarHBondContact O-OG 3.39Å; A895-S897 PolarHBondContact O-N 2.86Å; S897-I901 WeakPolarHBondContact O-CG1 3.25Å; S897-I901 PolarHBondContact O-N 2.87Å; S897-R1032 PolarHBondContact OG-NH1 2.87Å |
| 898 | S | 64.5 | Low | 68.6 | Low | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.9 | -36.6 | 179.7 | 168.6 | 0 | 0 | 0 | 0 | 112.2 | P883 A895 I901 W902 E1038 Q1042 | P883-S898 WeakPolarHBondContact CA-OG 3.38Å; A895-S898 PolarHBondContact O-N 2.65Å; S898-I901 PolarHBondContact O-N 2.87Å; S898-W902 PolarHBondContact O-N 2.87Å; S898-E1038 PolarHBondContact OG-OE1 3.32Å; S898-Q1042 PolarHBondContact O-NE2 3.08Å; S898-Q1042 PolarHBondContact OG-NE2 2.97Å |
| 899 | I | 72.8 | Confident | 69.5 | Low | 21 Ų | 21 | 23.9 Ų | 23.9 | 11% | 0.108 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.6 | -39.3 | -179.9 | -66.4 | 176 | 0 | 0 | 0 | 111.4 | I879 L880 A895 S896 I901 W902 I903 | I879-I899 HydrophobicContact CG2-CG2 3.59Å; L880-I899 WeakPolarHBondContact O-CD1 3.38Å; L880-I899 WeakPolarHBondContact O-CG1 3.41Å; A895-I899 HydrophobicContact CB-CD1 3.95Å; A895-I899 WeakPolarHBondContact O-CB 3.33Å; A895-I899 WeakPolarHBondContact O-CG1 3.4Å; A895-I899 PolarHBondContact O-N 2.97Å; A895-I899 VanDerWaalsContact O-N 3.09Å; S896-I899 PolarHBondContact O-N 2.69Å; I899-I901 VanDerWaalsContact C-N 3.34Å; I899-I901 PolarHBondContact O-N 2.89Å; I899-W902 WeakPolarHBondContact O-CB 3.48Å; I899-W902 PolarHBondContact O-N 2.76Å; I899-I903 HydrophobicContact CG2-CD1 3.87Å; I899-I903 HydrophobicContact CG2-CG1 4.42Å; I899-I903 VanDerWaalsContact O-CG1 3.32Å; I899-I903 WeakPolarHBondContact O-CG1 3.23Å; I899-I903 PolarHBondContact O-N 2.84Å |
| 900 | N | 76.5 | Confident | 70.1 | Confident | 12 Ų | 12 | 24 Ų | 24 | 6% | 0.064 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.7 | -37.3 | 175.5 | -75.8 | -32.2 | 0 | 0 | 0 | 112.4 | S896 M904 L1011 F1024 | S896-N900 WeakPolarHBondContact O-CB 3.38Å; S896-N900 PolarHBondContact O-N 3.24Å; S896-N900 PolarHBondContact O-ND2 3.33Å; S896-N900 PolarHBondContact OG-ND2 3.44Å; N900-M904 WeakPolarHBondContact O-CB 3.38Å; N900-M904 PolarHBondContact O-N 3.44Å; N900-L1011 HydrophobicContact CB-CD1 4.06Å; N900-F1024 HydrophobicContact CB-CZ 4.46Å |
| 901 | I | 80.2 | Confident | 71.2 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 172.3 | -68 | 168.1 | 0 | 0 | 0 | 110.2 | S897 S898 I899 I903 M904 I905 H1028 L1035 I1039 | S897-I901 WeakPolarHBondContact O-CG1 3.25Å; S897-I901 PolarHBondContact O-N 2.87Å; S898-I901 PolarHBondContact O-N 2.87Å; I899-I901 VanDerWaalsContact C-N 3.34Å; I899-I901 PolarHBondContact O-N 2.89Å; I901-I903 PolarHBondContact O-N 3.12Å; I901-M904 PolarHBondContact O-N 3.44Å; I901-M904 VanDerWaalsContact O-N 3.15Å; I901-I905 HydrophobicContact CG2-CD1 3.89Å; I901-I905 WeakPolarHBondContact O-CG1 3.48Å; I901-I905 PolarHBondContact O-N 3.08Å; I901-H1028 HydrophobicContact CD1-CB 3.7Å; I901-H1028 HydrophobicContact CG1-CB 4.22Å; I901-L1035 HydrophobicContact CD1-CD1 3.81Å; I901-I1039 HydrophobicContact CD1-CD1 4.46Å; I901-I1039 HydrophobicContact CD1-CG1 4.33Å; I901-I1039 HydrophobicContact CG2-CG1 3.86Å |
| 902 | W | 85.1 | Confident | 72.3 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 177.1 | -178.7 | -98.7 | 0 | 0 | 0 | 112.5 | T876 K878 L880 S898 I899 M904 I905 L906 Q1042 K1045 Q1046 | T876-W902 HydrophobicContact CG2-CH2 4.23Å; T876-W902 HydrophobicContact CG2-CZ2 3.66Å; K878-W902 PolarHBondContact O-NE1 3.05Å; L880-W902 HydrophobicContact CB-CG 4.28Å; L880-W902 HydrophobicContact CD1-CB 4.21Å; L880-W902 HydrophobicContact CD1-CD2 3.57Å; L880-W902 HydrophobicContact CD1-CE3 3.5Å; L880-W902 HydrophobicContact CD1-CG 3.89Å; L880-W902 HydrophobicContact CD1-CZ3 4.08Å; L880-W902 HydrophobicContact CG-CB 4.47Å; L880-W902 HydrophobicContact CG-CD2 3.59Å; L880-W902 HydrophobicContact CG-CE3 4Å; L880-W902 HydrophobicContact CG-CG 3.79Å; L880-W902 HydrophobicContact CG-CZ2 4.35Å; L880-W902 HydrophobicContact CG-CZ3 4.5Å; S898-W902 PolarHBondContact O-N 2.87Å; I899-W902 WeakPolarHBondContact O-CB 3.48Å; I899-W902 PolarHBondContact O-N 2.76Å; W902-M904 VanDerWaalsContact C-N 3.26Å; W902-M904 PolarHBondContact O-N 3.36Å; W902-I905 PolarHBondContact O-N 3.41Å; W902-L906 HydrophobicContact CZ2-CD2 4.37Å; W902-L906 WeakPolarHBondContact O-CG 2.9Å; W902-L906 PolarHBondContact O-N 3.21Å; W902-Q1042 VanDerWaalsContact CA-OE1 3.29Å; W902-Q1042 HydrophobicContact CE3-CB 3.71Å; W902-Q1042 HydrophobicContact CE3-CG 3.68Å; W902-Q1042 HydrophobicContact CZ3-CB 3.87Å; W902-Q1042 HydrophobicContact CZ3-CG 4.11Å; W902-Q1042 WeakPolarHBondContact CZ3-O 3.15Å; W902-K1045 HydrophobicContact CH2-CB 4.22Å; W902-K1045 HydrophobicContact CH2-CD 3.71Å; W902-K1045 HydrophobicContact CH2-CG 3.91Å; W902-K1045 HydrophobicContact CZ3-CB 4.23Å; W902-K1045 HydrophobicContact CZ3-CD 4.03Å; W902-K1045 HydrophobicContact CZ3-CG 4.34Å; W902-Q1046 HydrophobicContact CH2-CG 3.47Å; W902-Q1046 VanDerWaalsContact CH2-CG 3.47Å; W902-Q1046 HydrophobicContact CZ2-CG 4.02Å; W902-Q1046 HydrophobicContact CZ3-CG 3.88Å |
| 903 | I | 81.8 | Confident | 72.7 | Confident | 12 Ų | 12 | 26.3 Ų | 26.3 | 6% | 0.062 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58 | -40.7 | 174.9 | -69.3 | 166.8 | 0 | 0 | 0 | 110.5 | I879 I899 I901 L906 R907 | I879-I903 HydrophobicContact CD1-CD1 4.23Å; I879-I903 HydrophobicContact CD1-CG1 4.14Å; I879-I903 HydrophobicContact CG1-CG1 4.26Å; I879-I903 HydrophobicContact CG2-CD1 4.14Å; I879-I903 HydrophobicContact CG2-CG1 3.97Å; I899-I903 HydrophobicContact CG2-CD1 3.87Å; I899-I903 HydrophobicContact CG2-CG1 4.42Å; I899-I903 VanDerWaalsContact O-CG1 3.32Å; I899-I903 WeakPolarHBondContact O-CG1 3.23Å; I899-I903 PolarHBondContact O-N 2.84Å; I901-I903 PolarHBondContact O-N 3.12Å; I903-L906 PolarHBondContact O-N 2.64Å; I903-R907 WeakPolarHBondContact O-CB 3.21Å; I903-R907 WeakPolarHBondContact O-CG 3.09Å; I903-R907 PolarHBondContact O-N 2.93Å |
| 904 | M | 83.7 | Confident | 73 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.8 | -38.3 | 178.7 | -154.2 | 63.7 | 70.3 | 0 | 0 | 112.9 | N900 I901 W902 R907 F908 L1011 M1016 K1021 F1024 I1025 | N900-M904 WeakPolarHBondContact O-CB 3.38Å; N900-M904 PolarHBondContact O-N 3.44Å; I901-M904 PolarHBondContact O-N 3.44Å; I901-M904 VanDerWaalsContact O-N 3.15Å; W902-M904 VanDerWaalsContact C-N 3.26Å; W902-M904 PolarHBondContact O-N 3.36Å; M904-R907 PolarHBondContact O-N 3.39Å; M904-F908 WeakPolarHBondContact O-CB 3.31Å; M904-F908 PolarHBondContact O-N 3.01Å; M904-L1011 HydrophobicContact CE-CD2 3.52Å; M904-M1016 HydrophobicContact CE-CE 4.27Å; M904-M1016 HydrophobicContact CE-SD 3.57Å; M904-M1016 VanDerWaalsContact CE-SD 3.57Å; M904-M1016 HydrophobicContact SD-SD 3.9Å; M904-K1021 HydrophobicContact CG-CB 4.16Å; M904-K1021 HydrophobicContact CG-CG 4.34Å; M904-K1021 HydrophobicContact SD-CB 4.19Å; M904-K1021 HydrophobicContact SD-CG 3.72Å; M904-F1024 HydrophobicContact CB-CD1 3.89Å; M904-F1024 HydrophobicContact CB-CE1 4.22Å; M904-F1024 HydrophobicContact CE-CB 4.49Å; M904-F1024 HydrophobicContact CE-CD1 3.78Å; M904-F1024 HydrophobicContact CE-CD2 4.09Å; M904-F1024 HydrophobicContact CE-CE1 3.91Å; M904-F1024 HydrophobicContact CE-CE2 4.22Å; M904-F1024 HydrophobicContact CE-CG 3.87Å; M904-F1024 HydrophobicContact CE-CZ 4.12Å; M904-F1024 HydrophobicContact CG-CB 4.18Å; M904-F1024 HydrophobicContact CG-CD1 3.7Å; M904-F1024 HydrophobicContact CG-CE1 4.41Å; M904-F1024 HydrophobicContact CG-CG 4.16Å; M904-I1025 HydrophobicContact CB-CD1 4.34Å; M904-I1025 HydrophobicContact CB-CG1 3.95Å; M904-I1025 HydrophobicContact CG-CD1 4.25Å; M904-I1025 HydrophobicContact CG-CG1 3.99Å |
| 905 | I | 84.4 | Confident | 73.8 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60 | -49.6 | 172.9 | -71.2 | 165.9 | 0 | 0 | 0 | 110.1 | I901 W902 R907 F908 M909 I1025 Q1042 I1043 Q1046 | I901-I905 HydrophobicContact CG2-CD1 3.89Å; I901-I905 WeakPolarHBondContact O-CG1 3.48Å; I901-I905 PolarHBondContact O-N 3.08Å; W902-I905 PolarHBondContact O-N 3.41Å; I905-R907 VanDerWaalsContact C-N 3.31Å; I905-R907 PolarHBondContact O-N 3.13Å; I905-F908 PolarHBondContact O-N 3.47Å; I905-M909 HydrophobicContact CG2-CG 4.43Å; I905-M909 HydrophobicContact CG2-SD 3.68Å; I905-M909 WeakPolarHBondContact O-CB 3.33Å; I905-M909 WeakPolarHBondContact O-CG 3.45Å; I905-M909 PolarHBondContact O-N 3.43Å; I905-I1025 HydrophobicContact CB-CD1 4.48Å; I905-I1025 HydrophobicContact CD1-CG2 4.5Å; I905-I1025 HydrophobicContact CG1-CD1 3.75Å; I905-I1025 HydrophobicContact CG1-CG1 4.06Å; I905-I1025 HydrophobicContact CG1-CG2 4.21Å; I905-Q1042 HydrophobicContact CD1-CB 3.74Å; I905-I1043 HydrophobicContact CD1-CG1 3.94Å; I905-I1043 HydrophobicContact CG1-CG1 4.42Å; I905-Q1046 HydrophobicContact CG2-CG 4.29Å |
| 906 | L | 83.6 | Confident | 73.9 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.9 | -42.1 | 175.9 | -67 | 177.5 | 0 | 0 | 0 | 112 | W902 I903 G910 D911 S912 Q1046 | W902-L906 HydrophobicContact CZ2-CD2 4.37Å; W902-L906 WeakPolarHBondContact O-CG 2.9Å; W902-L906 PolarHBondContact O-N 3.21Å; I903-L906 PolarHBondContact O-N 2.64Å; L906-G910 PolarHBondContact O-N 3.21Å; L906-D911 HydrophobicContact CB-CB 4.48Å; L906-D911 HydrophobicContact CD2-CB 3.73Å; L906-D911 PolarHBondContact O-N 3.46Å; L906-S912 PolarHBondContact O-N 3.09Å; L906-Q1046 HydrophobicContact CD2-CG 4.32Å; L906-Q1046 VanDerWaalsContact CD2-NE2 3.28Å |
| 907 | R | 83.2 | Confident | 73.4 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 8% | 0.083 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73.2 | -21.4 | 178.6 | -77.1 | 177.7 | 166.3 | -170.4 | -2.4 | 114.9 | I903 M904 I905 L1011 R1012 K1021 | I903-R907 WeakPolarHBondContact O-CB 3.21Å; I903-R907 WeakPolarHBondContact O-CG 3.09Å; I903-R907 PolarHBondContact O-N 2.93Å; M904-R907 PolarHBondContact O-N 3.39Å; I905-R907 VanDerWaalsContact C-N 3.31Å; I905-R907 PolarHBondContact O-N 3.13Å; R907-L1011 PolarHBondContact NH1-O 3.49Å; R907-R1012 PolarHBondContact NH2-O 3.15Å; R907-K1021 HydrophobicContact CB-CD 4.44Å; R907-K1021 WeakPolarHBondContact O-CE 3.19Å; R907-K1021 PolarHBondContact O-NZ 3.43Å |
| 908 | F | 81.8 | Confident | 72.5 | Confident | 15 Ų | 15 | 40.9 Ų | 40.9 | 7% | 0.066 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -80.9 | -52.1 | 171.3 | -179.9 | -84.9 | 0 | 0 | 0 | 110.3 | M904 I905 G910 S1018 K1021 L1022 I1025 R1058 I1062 | M904-F908 WeakPolarHBondContact O-CB 3.31Å; M904-F908 PolarHBondContact O-N 3.01Å; I905-F908 PolarHBondContact O-N 3.47Å; F908-G910 PolarHBondContact O-N 2.86Å; F908-S1018 WeakPolarHBondContact CD2-O 3.36Å; F908-S1018 VanDerWaalsContact CE2-O 3.3Å; F908-S1018 WeakPolarHBondContact CE2-O 3.26Å; F908-K1021 HydrophobicContact CB-CB 4.24Å; F908-K1021 HydrophobicContact CD2-CB 4Å; F908-L1022 HydrophobicContact CD2-CB 4.39Å; F908-L1022 HydrophobicContact CE2-CB 3.98Å; F908-L1022 HydrophobicContact CE2-CD1 4.2Å; F908-L1022 HydrophobicContact CZ-CD1 4.27Å; F908-I1025 HydrophobicContact CB-CD1 4.35Å; F908-R1058 HydrophobicContact CD1-CB 4.18Å; F908-R1058 HydrophobicContact CE1-CB 3.87Å; F908-R1058 HydrophobicContact CE1-CG 4.47Å; F908-R1058 VanDerWaalsContact O-CD 3.24Å; F908-R1058 WeakPolarHBondContact O-CD 3.49Å; F908-R1058 PolarHBondContact O-NH1 2.96Å; F908-I1062 HydrophobicContact CD1-CD1 3.62Å; F908-I1062 HydrophobicContact CD1-CG1 4.45Å; F908-I1062 HydrophobicContact CE1-CD1 3.75Å; F908-I1062 HydrophobicContact CE1-CG1 4.1Å; F908-I1062 HydrophobicContact CG-CD1 4.09Å; F908-I1062 HydrophobicContact CZ-CD1 4.33Å |
| 909 | M | 79.9 | Confident | 71 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.5 | -22.8 | -179.2 | -67.2 | -179.4 | 62.3 | 0 | 0 | 112.4 | I905 Q1046 L1047 S1055 | I905-M909 HydrophobicContact CG2-CG 4.43Å; I905-M909 HydrophobicContact CG2-SD 3.68Å; I905-M909 WeakPolarHBondContact O-CB 3.33Å; I905-M909 WeakPolarHBondContact O-CG 3.45Å; I905-M909 PolarHBondContact O-N 3.43Å; M909-Q1046 HydrophobicContact CE-CB 3.68Å; M909-Q1046 HydrophobicContact SD-CB 3.72Å; M909-Q1046 HydrophobicContact SD-CG 4.45Å; M909-L1047 HydrophobicContact CE-CD2 4.34Å; M909-S1055 WeakPolarHBondContact CE-OG 3.44Å; M909-S1055 VanDerWaalsContact O-CA 3.3Å; M909-S1055 WeakPolarHBondContact O-CA 3.24Å; M909-S1055 WeakPolarHBondContact O-CB 3.35Å |
| 910 | G | 74 | Confident | 69.1 | Low | 41 Ų | 41 | 50.8 Ų | 50.8 | 42% | 0.423 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | 13.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | L906 F908 S912 | L906-G910 PolarHBondContact O-N 3.21Å; F908-G910 PolarHBondContact O-N 2.86Å; G910-S912 VanDerWaalsContact C-N 3.31Å |
| 911 | D | 79.2 | Confident | 66.9 | Low | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.053 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -81 | -12.9 | 175.3 | -66.7 | -55.9 | 0 | 0 | 0 | 113.1 | Y875 R877 L906 S1055 | Y875-D911 HydrophobicContact CE2-CB 4.48Å; Y875-D911 WeakPolarHBondContact CE2-OD1 3.37Å; Y875-D911 PolarHBondContact OH-OD1 3.48Å; R877-D911 HydrophobicContact CG-CB 4.37Å; L906-D911 HydrophobicContact CB-CB 4.48Å; L906-D911 HydrophobicContact CD2-CB 3.73Å; L906-D911 PolarHBondContact O-N 3.46Å; D911-S1055 PolarHBondContact OD1-OG 3.15Å; D911-S1055 PolarHBondContact OD2-OG 3.47Å |
| 912 | S | 76.9 | Confident | 64.5 | Low | 35 Ų | 35 | 59.8 Ų | 59.8 | 25% | 0.245 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -127.5 | 138 | 168 | 175.6 | 0 | 0 | 0 | 0 | 109.6 | L906 G910 | L906-S912 PolarHBondContact O-N 3.09Å; G910-S912 VanDerWaalsContact C-N 3.31Å |
| 913 | P | 67.9 | Low | 62 | Low | 109 Ų | 109 | 65.4 Ų | 65.4 | 71% | 0.708 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 151.9 | 173.5 | 26.7 | -34.4 | 0 | 0 | 0 | 111.4 | ||
| 914 | S | 62.3 | Low | 59.5 | Low | 52 Ų | 52 | 73.1 Ų | 73.1 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 148.3 | 164.4 | -56.9 | 0 | 0 | 0 | 0 | 108.5 | K1021 | S914-K1021 PolarHBondContact OG-NZ 3.43Š|
| 915 | P | 64 | Low | 57.2 | Low | 38 Ų | 38 | 75.5 Ų | 75.5 | 25% | 0.247 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -60 | 146 | 177.5 | 24.4 | -31.9 | 0 | 0 | 0 | 110.8 | K1013 L1014 T1015 | P915-K1013 WeakPolarHBondContact CG-O 3.46Å; P915-L1014 WeakPolarHBondContact CG-O 3.39Å; P915-T1015 HydrophobicContact CG-CG2 4.06Å; P915-T1015 WeakPolarHBondContact O-CG2 3.32Å |
| 916 | Q | 52.9 | Low | 54.8 | Low | 153 Ų | 153 | 81.5 Ų | 81.5 | 72% | 0.715 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -80.1 | 143.7 | 176.1 | -71 | 178.3 | -32.5 | 0 | 0 | 110.4 | H918 | Q916-H918 PolarHBondContact O-N 2.72Š|
| 917 | Q | 47.2 | Very low | 52.6 | Low | 150 Ų | 150 | 89.2 Ų | 89.2 | 70% | 0.701 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 118.1 | 170.4 | -71.9 | -178.6 | -58.9 | 0 | 0 | 109.6 | N919 T1015 | Q917-N919 PolarHBondContact O-N 3.34Å; Q917-T1015 HydrophobicContact CG-CG2 4.09Å |
| 918 | H | 41.4 | Very low | 50.5 | Low | 183 Ų | 183 | 95.2 Ų | 95.2 | 85% | 0.847 | 55% | 0.553 | S | S | * | * | trans | -79.3 | 106.1 | 169.1 | -94.3 | -83.2 | 0 | 0 | 0 | 109.8 | Q916 G920 | Q916-H918 PolarHBondContact O-N 2.72Å; H918-G920 VanDerWaalsContact C-N 3.33Å; H918-G920 PolarHBondContact O-N 2.99Å | ||
| 919 | N | 33.3 | Very low | 48.5 | Very low | 167 Ų | 167 | 98.4 Ų | 98.4 | 89% | 0.893 | 57% | 0.569 | S | S | * | * | trans | -69.3 | 90.3 | 166.3 | -76.8 | -13.4 | 0 | 0 | 0 | 109.5 | Q917 | Q917-N919 PolarHBondContact O-N 3.34Š| ||
| 920 | G | 31.7 | Very low | 46.6 | Very low | 61 Ų | 61 | 100.5 Ų | 100.5 | 63% | 0.629 | 58% | 0.577 | S | S | * | * | trans | -153.5 | 125.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | H918 G922 | H918-G920 VanDerWaalsContact C-N 3.33Å; H918-G920 PolarHBondContact O-N 2.99Å; G920-G922 PolarHBondContact O-N 3.11Å | ||
| 921 | S | 30.6 | Very low | 45 | Very low | 132 Ų | 132 | 105.1 Ų | 105.1 | 92% | 0.923 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -66.7 | 120.3 | -175.5 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 922 | G | 29.7 | Very low | 43.4 | Very low | 70 Ų | 70 | 109.9 Ų | 109.9 | 72% | 0.722 | 60% | 0.604 | S | S | * | * | trans | 160.5 | 7.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | G920 | G920-G922 PolarHBondContact O-N 3.11Š| ||
| 923 | I | 31.8 | Very low | 42.2 | Very low | 117 Ų | 117 | 109.9 Ų | 109.9 | 60% | 0.6 | 60% | 0.604 | S | S | * | * | trans | -133 | 62.7 | -174 | -39.6 | -178.9 | 0 | 0 | 0 | 113.8 | G925 F926 | I923-G925 PolarHBondContact O-N 2.82Å; I923-F926 HydrophobicContact CG2-CB 4.24Å; I923-F926 HydrophobicContact CG2-CD2 3.91Å | ||
| 924 | N | 31.3 | Very low | 41.6 | Very low | 175 Ų | 175 | 105.2 Ų | 105.2 | 94% | 0.936 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 30.3 | 173 | -69.3 | 12.6 | 0 | 0 | 0 | 113.8 | ||
| 925 | G | 35.3 | Very low | 41.2 | Very low | 52 Ų | 52 | 103.1 Ų | 103.1 | 54% | 0.536 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127.8 | -13.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | I923 | I923-G925 PolarHBondContact O-N 2.82Š|
| 926 | F | 34.1 | Very low | 40.5 | Very low | 125 Ų | 125 | 102.1 Ų | 102.1 | 55% | 0.548 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -29.4 | -173.3 | -97.5 | -82.7 | 0 | 0 | 0 | 115.2 | I923 Q928 Q929 | I923-F926 HydrophobicContact CG2-CB 4.24Å; I923-F926 HydrophobicContact CG2-CD2 3.91Å; F926-Q928 PolarHBondContact O-N 2.82Å; F926-Q929 PolarHBondContact O-N 2.88Å |
| 927 | E | 37.1 | Very low | 40.6 | Very low | 164 Ų | 164 | 97.3 Ų | 97.3 | 77% | 0.766 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -65.6 | -36.9 | -176.6 | -65.4 | -172.8 | 125.8 | 0 | 0 | 112.7 | Q929 W930 | E927-Q929 PolarHBondContact O-N 3.07Å; E927-Q929 VanDerWaalsContact O-N 3.09Å; E927-W930 PolarHBondContact O-N 3.2Å |
| 928 | Q | 39.2 | Very low | 40.9 | Very low | 148 Ų | 148 | 90.5 Ų | 90.5 | 69% | 0.692 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -65.3 | -10.9 | 177.4 | -71.2 | -174.3 | -11.1 | 0 | 0 | 114.9 | F926 | F926-Q928 PolarHBondContact O-N 2.82Š|
| 929 | Q | 38.8 | Very low | 41.1 | Very low | 82 Ų | 82 | 82.1 Ų | 82.1 | 38% | 0.383 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -75.5 | -22.3 | 178.2 | -77.2 | -166 | -14.3 | 0 | 0 | 113.8 | F926 E927 | F926-Q929 PolarHBondContact O-N 2.88Å; E927-Q929 PolarHBondContact O-N 3.07Å; E927-Q929 VanDerWaalsContact O-N 3.09Å |
| 930 | W | 40.2 | Very low | 41.7 | Very low | 47 Ų | 47 | 75.6 Ų | 75.6 | 18% | 0.178 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -107.6 | 1.1 | -175.1 | -81.1 | 78 | 0 | 0 | 0 | 115.3 | E927 R932 I934 H937 L1014 M1016 | E927-W930 PolarHBondContact O-N 3.2Å; W930-R932 PolarHBondContact O-N 2.87Å; W930-I934 HydrophobicContact CE3-CG1 4.43Å; W930-I934 HydrophobicContact CZ3-CD1 4.39Å; W930-I934 HydrophobicContact CZ3-CG1 4.09Å; W930-H937 AromaticContact CZ2-NE2 3.87Å; W930-L1014 HydrophobicContact CG-CD2 4.47Å; W930-L1014 HydrophobicContact CZ2-CD1 3.59Å; W930-M1016 HydrophobicContact CZ3-CE 3.93Å |
| 931 | E | 40.1 | Very low | 42.6 | Very low | 137 Ų | 137 | 74.7 Ų | 74.7 | 64% | 0.64 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -66.9 | -0.6 | 170.4 | -61.3 | -176 | 126 | 0 | 0 | 113.9 | ||
| 932 | R | 45.5 | Very low | 43.3 | Very low | 111 Ų | 111 | 70.7 Ų | 70.7 | 42% | 0.419 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -98.6 | 134.5 | 176.1 | -53.4 | -176 | -173.3 | -164.9 | 1.7 | 108.9 | W930 I934 F936 | W930-R932 PolarHBondContact O-N 2.87Å; R932-I934 PolarHBondContact O-N 2.92Å; R932-F936 HydrophobicContact CB-CD1 3.79Å; R932-F936 HydrophobicContact CB-CE1 4.32Å; R932-F936 HydrophobicContact CG-CD1 4.47Å |
| 933 | S | 51.3 | Low | 44.1 | Very low | 34 Ų | 34 | 68.1 Ų | 68.1 | 24% | 0.238 | 34% | 0.341 | C | S | . | . | trans | -45.7 | 140 | -178 | 169.4 | 0 | 0 | 0 | 0 | 112.4 | M935 F936 H937 Q1182 | S933-M935 PolarHBondContact O-N 3.39Å; S933-M935 VanDerWaalsContact O-N 3.15Å; S933-M935 PolarHBondContact OG-N 3.21Å; S933-F936 WeakPolarHBondContact O-CA 3.44Å; S933-F936 VanDerWaalsContact O-CB 3.25Å; S933-F936 WeakPolarHBondContact O-CB 3.43Å; S933-F936 PolarHBondContact O-N 3.18Å; S933-H937 PolarHBondContact O-N 2.91Å; S933-Q1182 PolarHBondContact OG-OE1 2.97Å | ||
| 934 | I | 55.4 | Low | 44.7 | Very low | 12 Ų | 12 | 67.4 Ų | 67.4 | 6% | 0.062 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.7 | -31.4 | -179 | -64.4 | -179.3 | 0 | 0 | 0 | 111.3 | W930 R932 F936 H937 Q938 M1016 E1020 H1023 F1024 | W930-I934 HydrophobicContact CE3-CG1 4.43Å; W930-I934 HydrophobicContact CZ3-CD1 4.39Å; W930-I934 HydrophobicContact CZ3-CG1 4.09Å; R932-I934 PolarHBondContact O-N 2.92Å; I934-F936 VanDerWaalsContact C-N 3.29Å; I934-F936 PolarHBondContact O-N 3.24Å; I934-H937 PolarHBondContact O-N 3.01Å; I934-Q938 HydrophobicContact CG2-CG 4.3Å; I934-Q938 WeakPolarHBondContact O-CB 3.4Å; I934-Q938 VanDerWaalsContact O-CG 3.27Å; I934-Q938 WeakPolarHBondContact O-CG 3.4Å; I934-Q938 PolarHBondContact O-N 3.33Å; I934-M1016 HydrophobicContact CD1-CE 3.93Å; I934-E1020 HydrophobicContact CD1-CB 3.57Å; I934-E1020 HydrophobicContact CD1-CG 3.9Å; I934-E1020 VanDerWaalsContact CD1-O 3.3Å; I934-E1020 WeakPolarHBondContact CD1-O 3.48Å; I934-H1023 HydrophobicContact CD1-CB 4.17Å; I934-F1024 HydrophobicContact CG2-CB 4.11Å; I934-F1024 HydrophobicContact CG2-CD2 4.14Å |
| 935 | M | 53.6 | Low | 45.4 | Very low | 7 Ų | 7 | 61.1 Ų | 61.1 | 3% | 0.034 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.7 | -29.9 | 172.7 | -65.5 | -67.6 | -76.3 | 0 | 0 | 113 | S933 A939 Y960 G1027 I1030 L1031 P1097 | S933-M935 PolarHBondContact O-N 3.39Å; S933-M935 VanDerWaalsContact O-N 3.15Å; S933-M935 PolarHBondContact OG-N 3.21Å; M935-A939 VanDerWaalsContact O-CB 3.29Å; M935-A939 WeakPolarHBondContact O-CB 3.46Å; M935-A939 PolarHBondContact O-N 3.09Å; M935-Y960 PolarHBondContact O-OH 3.2Å; M935-G1027 VanDerWaalsContact SD-CA 3.52Å; M935-I1030 HydrophobicContact CE-CB 4.39Å; M935-I1030 HydrophobicContact CE-CG2 3.92Å; M935-L1031 HydrophobicContact CE-CD1 4.31Å; M935-L1031 HydrophobicContact CE-CD2 3.9Å; M935-L1031 HydrophobicContact CE-CG 3.89Å; M935-L1031 HydrophobicContact SD-CD1 4.25Å; M935-L1031 HydrophobicContact SD-CG 4.36Å; M935-P1097 HydrophobicContact CG-CG 4.21Å; M935-P1097 HydrophobicContact SD-CG 4.33Å |
| 936 | F | 50.4 | Low | 45.6 | Very low | 18 Ų | 18 | 60.8 Ų | 60.8 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.2 | -49.2 | 173.4 | 172 | -89.9 | 0 | 0 | 0 | 110.9 | R932 S933 I934 Q938 A939 C940 Y957 L961 L964 | R932-F936 HydrophobicContact CB-CD1 3.79Å; R932-F936 HydrophobicContact CB-CE1 4.32Å; R932-F936 HydrophobicContact CG-CD1 4.47Å; S933-F936 WeakPolarHBondContact O-CA 3.44Å; S933-F936 VanDerWaalsContact O-CB 3.25Å; S933-F936 WeakPolarHBondContact O-CB 3.43Å; S933-F936 PolarHBondContact O-N 3.18Å; I934-F936 VanDerWaalsContact C-N 3.29Å; I934-F936 PolarHBondContact O-N 3.24Å; F936-Q938 VanDerWaalsContact C-N 3.35Å; F936-Q938 PolarHBondContact O-N 3.25Å; F936-A939 PolarHBondContact O-N 2.98Å; F936-C940 PolarHBondContact O-N 2.9Å; F936-C940 PolarHBondContact O-SG 2.73Å; F936-C940 VanDerWaalsContact O-SG 3.33Å; F936-Y957 AromaticContact CE2-CE2 3.82Å; F936-Y957 HydrophobicContact CE2-CE2 3.82Å; F936-Y957 AromaticContact CZ-CE2 3.8Å; F936-Y957 HydrophobicContact CZ-CE2 3.8Å; F936-L961 HydrophobicContact CD2-CD2 4.37Å; F936-L961 HydrophobicContact CE2-CD2 3.66Å; F936-L961 HydrophobicContact CE2-CG 4.3Å; F936-L964 HydrophobicContact CB-CD1 4.13Å; F936-L964 HydrophobicContact CD2-CD1 4.16Å |
| 937 | H | 54 | Low | 45.9 | Very low | 52 Ų | 52 | 57.4 Ų | 57.4 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | -179.6 | -164.4 | 95.6 | 0 | 0 | 0 | 111.9 | W930 S933 I934 A939 C940 I941 | W930-H937 AromaticContact CZ2-NE2 3.87Å; S933-H937 PolarHBondContact O-N 2.91Å; I934-H937 PolarHBondContact O-N 3.01Å; H937-A939 PolarHBondContact O-N 2.95Å; H937-C940 PolarHBondContact O-N 3.05Å; H937-I941 WeakPolarHBondContact O-CG1 3.24Å; H937-I941 PolarHBondContact O-N 2.91Å |
| 938 | Q | 54.5 | Low | 46 | Very low | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.028 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.9 | -35.8 | 175.8 | -71.4 | 177.3 | 0.7 | 0 | 0 | 113.5 | I934 F936 I941 F942 F1024 H1028 L1031 | I934-Q938 HydrophobicContact CG2-CG 4.3Å; I934-Q938 WeakPolarHBondContact O-CB 3.4Å; I934-Q938 VanDerWaalsContact O-CG 3.27Å; I934-Q938 WeakPolarHBondContact O-CG 3.4Å; I934-Q938 PolarHBondContact O-N 3.33Å; F936-Q938 VanDerWaalsContact C-N 3.35Å; F936-Q938 PolarHBondContact O-N 3.25Å; Q938-I941 PolarHBondContact O-N 3.47Å; Q938-F942 WeakPolarHBondContact O-CB 3.41Å; Q938-F942 PolarHBondContact O-N 3.36Å; Q938-F1024 VanDerWaalsContact NE2-CA 3.31Å; Q938-F1024 PolarHBondContact NE2-O 3.41Å; Q938-H1028 VanDerWaalsContact CD-CE1 3.49Å; Q938-H1028 PolarHBondContact NE2-CE1 3.31Å; Q938-H1028 PolarHBondContact NE2-ND1 2.99Å; Q938-L1031 HydrophobicContact CB-CD1 3.64Å |
| 939 | A | 45 | Very low | 46 | Very low | 7 Ų | 7 | 53.6 Ų | 53.6 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.5 | -38.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | M935 F936 H937 I941 F942 V943 Y960 | M935-A939 VanDerWaalsContact O-CB 3.29Å; M935-A939 WeakPolarHBondContact O-CB 3.46Å; M935-A939 PolarHBondContact O-N 3.09Å; F936-A939 PolarHBondContact O-N 2.98Å; H937-A939 PolarHBondContact O-N 2.95Å; A939-I941 PolarHBondContact O-N 3.44Å; A939-F942 PolarHBondContact O-N 2.94Å; A939-V943 WeakPolarHBondContact O-CB 3.32Å; A939-V943 VanDerWaalsContact O-CG2 3.32Å; A939-V943 WeakPolarHBondContact O-CG2 3.45Å; A939-V943 PolarHBondContact O-N 3.01Å; A939-Y960 HydrophobicContact CB-CD1 3.59Å; A939-Y960 HydrophobicContact CB-CD2 4.39Å; A939-Y960 HydrophobicContact CB-CE1 3.11Å; A939-Y960 HydrophobicContact CB-CE2 4.02Å; A939-Y960 HydrophobicContact CB-CG 4.19Å |
| 940 | C | 45.6 | Very low | 45.9 | Very low | 30 Ų | 30 | 56.8 Ų | 56.8 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56 | -49.8 | 171.4 | -66.6 | 0 | 0 | 0 | 0 | 111.2 | F936 H937 F942 V943 Q944 | F936-C940 PolarHBondContact O-N 2.9Å; F936-C940 PolarHBondContact O-SG 2.73Å; F936-C940 VanDerWaalsContact O-SG 3.33Å; H937-C940 PolarHBondContact O-N 3.05Å; C940-F942 PolarHBondContact O-N 3.07Å; C940-V943 PolarHBondContact O-N 3.29Å; C940-Q944 WeakPolarHBondContact O-CG 3.44Å; C940-Q944 PolarHBondContact O-N 2.92Å |
| 941 | I | 50.8 | Low | 45.8 | Very low | 43 Ų | 43 | 59.2 Ų | 59.2 | 22% | 0.221 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 177.5 | -65.8 | 168 | 0 | 0 | 0 | 111.2 | H937 Q938 A939 V943 Q944 S945 | H937-I941 WeakPolarHBondContact O-CG1 3.24Å; H937-I941 PolarHBondContact O-N 2.91Å; Q938-I941 PolarHBondContact O-N 3.47Å; A939-I941 PolarHBondContact O-N 3.44Å; I941-V943 VanDerWaalsContact C-N 3.35Å; I941-V943 PolarHBondContact O-N 3.13Å; I941-Q944 PolarHBondContact O-N 3.43Å; I941-S945 WeakPolarHBondContact O-CB 3.46Å; I941-S945 PolarHBondContact O-N 2.76Å; I941-S945 PolarHBondContact O-OG 2.92Å |
| 942 | F | 46.6 | Very low | 45.5 | Very low | 48 Ų | 48 | 57.6 Ų | 57.6 | 21% | 0.211 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 177 | 176.5 | -103.2 | 0 | 0 | 0 | 112.4 | Q938 A939 C940 S945 N946 R1032 | Q938-F942 WeakPolarHBondContact O-CB 3.41Å; Q938-F942 PolarHBondContact O-N 3.36Å; A939-F942 PolarHBondContact O-N 2.94Å; C940-F942 PolarHBondContact O-N 3.07Å; F942-S945 PolarHBondContact O-OG 3.41Å; F942-N946 WeakPolarHBondContact CD2-ND2 3.39Å; F942-N946 VanDerWaalsContact CE2-ND2 3.25Å; F942-N946 WeakPolarHBondContact CE2-ND2 3.36Å; F942-N946 WeakPolarHBondContact O-CB 3.39Å; F942-N946 PolarHBondContact O-N 3.43Å; F942-N946 VanDerWaalsContact O-N 3.11Å; F942-N946 PolarHBondContact O-ND2 2.74Å; F942-R1032 HydrophobicContact CD2-CG 4.06Å; F942-R1032 HydrophobicContact CE2-CG 4.15Å |
| 943 | V | 45.2 | Very low | 45.2 | Very low | 15 Ų | 15 | 53.2 Ų | 53.2 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.8 | -45.7 | 178.3 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | A939 C940 I941 S945 F947 A953 L956 | A939-V943 WeakPolarHBondContact O-CB 3.32Å; A939-V943 VanDerWaalsContact O-CG2 3.32Å; A939-V943 WeakPolarHBondContact O-CG2 3.45Å; A939-V943 PolarHBondContact O-N 3.01Å; C940-V943 PolarHBondContact O-N 3.29Å; I941-V943 VanDerWaalsContact C-N 3.35Å; I941-V943 PolarHBondContact O-N 3.13Å; V943-S945 VanDerWaalsContact C-N 3.34Å; V943-S945 PolarHBondContact O-N 3.41Å; V943-F947 WeakPolarHBondContact O-CB 3.49Å; V943-F947 PolarHBondContact O-N 2.72Å; V943-F947 VanDerWaalsContact O-N 3.13Å; V943-A953 HydrophobicContact CG1-CB 3.75Å; V943-A953 WeakPolarHBondContact CG1-O 3.28Å; V943-L956 HydrophobicContact CG1-CB 4.35Å; V943-L956 HydrophobicContact CG2-CB 4.27Å |
| 944 | Q | 45.8 | Very low | 44.6 | Very low | 102 Ų | 102 | 57.1 Ų | 57.1 | 48% | 0.477 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 175.4 | -75.8 | 176.7 | -60.9 | 0 | 0 | 112.2 | C940 I941 | C940-Q944 WeakPolarHBondContact O-CG 3.44Å; C940-Q944 PolarHBondContact O-N 2.92Å; I941-Q944 PolarHBondContact O-N 3.43Å |
| 945 | S | 44.8 | Very low | 43.8 | Very low | 43 Ų | 43 | 61.1 Ų | 61.1 | 30% | 0.301 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -74 | -37.3 | -175.5 | 53.2 | 0 | 0 | 0 | 0 | 114 | I891 I941 F942 V943 | I891-S945 VanDerWaalsContact CD1-C 3.4Å; I891-S945 VanDerWaalsContact CD1-O 3.22Å; I891-S945 WeakPolarHBondContact CD1-O 3.44Å; I941-S945 WeakPolarHBondContact O-CB 3.46Å; I941-S945 PolarHBondContact O-N 2.76Å; I941-S945 PolarHBondContact O-OG 2.92Å; F942-S945 PolarHBondContact O-OG 3.41Å; V943-S945 VanDerWaalsContact C-N 3.34Å; V943-S945 PolarHBondContact O-N 3.41Å |
| 946 | N | 40.6 | Very low | 42.9 | Very low | 45 Ų | 45 | 62.1 Ų | 62.1 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -86 | -19.5 | -178.5 | -70.9 | -94.3 | 0 | 0 | 0 | 113.7 | N889 I891 F942 | N889-N946 PolarHBondContact ND2-OD1 2.88Å; I891-N946 HydrophobicContact CD1-CB 4.1Å; I891-N946 WeakPolarHBondContact CD1-ND2 3.44Å; I891-N946 VanDerWaalsContact CD1-OD1 3.29Å; I891-N946 WeakPolarHBondContact CD1-OD1 3.5Å; F942-N946 WeakPolarHBondContact CD2-ND2 3.39Å; F942-N946 VanDerWaalsContact CE2-ND2 3.25Å; F942-N946 WeakPolarHBondContact CE2-ND2 3.36Å; F942-N946 WeakPolarHBondContact O-CB 3.39Å; F942-N946 PolarHBondContact O-N 3.43Å; F942-N946 VanDerWaalsContact O-N 3.11Å; F942-N946 PolarHBondContact O-ND2 2.74Å |
| 947 | F | 39.5 | Very low | 42.5 | Very low | 55 Ų | 55 | 64.5 Ų | 64.5 | 24% | 0.241 | 33% | 0.329 | C | S | . | . | trans | -130.8 | 81.4 | -173.2 | -59.3 | -82.8 | 0 | 0 | 0 | 111.9 | V943 N949 Y952 L956 | V943-F947 WeakPolarHBondContact O-CB 3.49Å; V943-F947 PolarHBondContact O-N 2.72Å; V943-F947 VanDerWaalsContact O-N 3.13Å; F947-N949 PolarHBondContact O-N 3.09Å; F947-Y952 HydrophobicContact CD1-CD1 4.11Å; F947-Y952 HydrophobicContact CE1-CD1 4.31Å; F947-L956 HydrophobicContact CD1-CD1 4.25Å; F947-L956 HydrophobicContact CD2-CD1 3.71Å; F947-L956 HydrophobicContact CE1-CD1 3.98Å; F947-L956 HydrophobicContact CE2-CD1 3.41Å; F947-L956 VanDerWaalsContact CE2-CD1 3.41Å; F947-L956 HydrophobicContact CG-CD1 4.13Å; F947-L956 HydrophobicContact CZ-CD1 3.55Å | ||
| 948 | P | 39.4 | Very low | 41.8 | Very low | 125 Ų | 125 | 64.1 Ų | 64.1 | 81% | 0.812 | 34% | 0.335 | S | S | * | . | trans | -71.4 | 26.7 | 177.8 | 32.6 | -38.5 | 0 | 0 | 0 | 113.7 | ||||
| 949 | N | 38 | Very low | 40.9 | Very low | 106 Ų | 106 | 68.1 Ų | 68.1 | 57% | 0.567 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -127.6 | 98.9 | -178.2 | -140.1 | 25.5 | 0 | 0 | 0 | 106.4 | F947 T951 Y952 A953 | F947-N949 PolarHBondContact O-N 3.09Å; N949-T951 PolarHBondContact O-N 3.4Å; N949-Y952 PolarHBondContact O-N 3.11Å; N949-A953 PolarHBondContact O-N 2.9Å; N949-A953 VanDerWaalsContact O-N 3.17Å |
| 950 | E | 37.5 | Very low | 40.6 | Very low | 150 Ų | 150 | 70.9 Ų | 70.9 | 70% | 0.701 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -48.2 | -39.4 | -168 | -60.6 | 174.3 | 155.1 | 0 | 0 | 113.4 | Y952 A953 F954 | E950-Y952 VanDerWaalsContact C-N 3.3Å; E950-Y952 PolarHBondContact O-N 3.47Å; E950-A953 PolarHBondContact O-N 3.04Å; E950-F954 WeakPolarHBondContact O-CB 3.26Å; E950-F954 PolarHBondContact O-N 2.92Å |
| 951 | T | 37.4 | Very low | 40.2 | Very low | 98 Ų | 98 | 70.9 Ų | 70.9 | 60% | 0.601 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.7 | -29.2 | -179.3 | -22.9 | 0 | 0 | 0 | 0 | 113.6 | N949 Q955 | N949-T951 PolarHBondContact O-N 3.4Å; T951-Q955 VanDerWaalsContact O-CG 3.28Å; T951-Q955 WeakPolarHBondContact O-CG 3.45Å; T951-Q955 PolarHBondContact O-N 2.99Å |
| 952 | Y | 35.4 | Very low | 39.6 | Very low | 103 Ų | 103 | 73 Ų | 73 | 40% | 0.404 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -84.9 | -38.1 | 176 | -120.4 | -103.7 | 0 | 0 | 0 | 111.3 | F947 N949 E950 F954 Q955 L956 N1409 | F947-Y952 HydrophobicContact CD1-CD1 4.11Å; F947-Y952 HydrophobicContact CE1-CD1 4.31Å; N949-Y952 PolarHBondContact O-N 3.11Å; E950-Y952 VanDerWaalsContact C-N 3.3Å; E950-Y952 PolarHBondContact O-N 3.47Å; Y952-F954 VanDerWaalsContact C-N 3.32Å; Y952-F954 PolarHBondContact O-N 3.03Å; Y952-Q955 PolarHBondContact O-N 2.81Å; Y952-L956 HydrophobicContact CD1-CD1 4.49Å; Y952-L956 PolarHBondContact O-N 3.05Å; Y952-N1409 WeakPolarHBondContact CE1-ND2 3.29Å; Y952-N1409 PolarHBondContact OH-ND2 3.25Å; Y952-N1409 VanDerWaalsContact OH-ND2 3.08Å |
| 953 | A | 39.2 | Very low | 38.9 | Very low | 18 Ų | 18 | 79.6 Ų | 79.6 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57.3 | -46.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V943 N949 E950 Q955 L956 Y957 | V943-A953 HydrophobicContact CG1-CB 3.75Å; V943-A953 WeakPolarHBondContact CG1-O 3.28Å; N949-A953 PolarHBondContact O-N 2.9Å; N949-A953 VanDerWaalsContact O-N 3.17Å; E950-A953 PolarHBondContact O-N 3.04Å; A953-Q955 VanDerWaalsContact C-N 3.34Å; A953-Q955 PolarHBondContact O-N 3.4Å; A953-L956 PolarHBondContact O-N 2.91Å; A953-Y957 WeakPolarHBondContact O-CB 3.42Å; A953-Y957 PolarHBondContact O-N 3.2Å |
| 954 | F | 37.7 | Very low | 38.4 | Very low | 117 Ų | 117 | 80.8 Ų | 80.8 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.9 | -35.7 | 177.3 | -160.9 | -88.1 | 0 | 0 | 0 | 113.1 | E950 Y952 A958 I994 | E950-F954 WeakPolarHBondContact O-CB 3.26Å; E950-F954 PolarHBondContact O-N 2.92Å; Y952-F954 VanDerWaalsContact C-N 3.32Å; Y952-F954 PolarHBondContact O-N 3.03Å; F954-A958 VanDerWaalsContact O-CB 3.26Å; F954-A958 WeakPolarHBondContact O-CB 3.45Å; F954-A958 PolarHBondContact O-N 3.25Å; F954-I994 HydrophobicContact CZ-CD1 4.1Å |
| 955 | Q | 38.1 | Very low | 37.9 | Very low | 95 Ų | 95 | 79.5 Ų | 79.5 | 44% | 0.444 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.1 | -43.1 | 177.9 | -74.9 | 171.4 | 10.7 | 0 | 0 | 112.5 | T951 Y952 A953 A958 V959 | T951-Q955 VanDerWaalsContact O-CG 3.28Å; T951-Q955 WeakPolarHBondContact O-CG 3.45Å; T951-Q955 PolarHBondContact O-N 2.99Å; Y952-Q955 PolarHBondContact O-N 2.81Å; A953-Q955 VanDerWaalsContact C-N 3.34Å; A953-Q955 PolarHBondContact O-N 3.4Å; Q955-A958 PolarHBondContact O-N 3.49Å; Q955-V959 WeakPolarHBondContact O-CG2 3.42Å; Q955-V959 PolarHBondContact O-N 2.79Å; Q955-V959 VanDerWaalsContact O-N 3.08Å |
| 956 | L | 35.9 | Very low | 37.3 | Very low | 29 Ų | 29 | 83.6 Ų | 83.6 | 15% | 0.152 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -71.2 | -36.6 | 175.3 | -76.3 | 165.1 | 0 | 0 | 0 | 112.2 | V943 F947 Y952 A953 V959 Y960 | V943-L956 HydrophobicContact CG1-CB 4.35Å; V943-L956 HydrophobicContact CG2-CB 4.27Å; F947-L956 HydrophobicContact CD1-CD1 4.25Å; F947-L956 HydrophobicContact CD2-CD1 3.71Å; F947-L956 HydrophobicContact CE1-CD1 3.98Å; F947-L956 HydrophobicContact CE2-CD1 3.41Å; F947-L956 VanDerWaalsContact CE2-CD1 3.41Å; F947-L956 HydrophobicContact CG-CD1 4.13Å; F947-L956 HydrophobicContact CZ-CD1 3.55Å; Y952-L956 HydrophobicContact CD1-CD1 4.49Å; Y952-L956 PolarHBondContact O-N 3.05Å; A953-L956 PolarHBondContact O-N 2.91Å; L956-V959 PolarHBondContact O-N 2.66Å; L956-Y960 WeakPolarHBondContact O-CB 3.16Å; L956-Y960 PolarHBondContact O-N 2.69Å |
| 957 | Y | 41.5 | Very low | 36.8 | Very low | 68 Ų | 68 | 83.3 Ų | 83.3 | 27% | 0.267 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 171.5 | 177.9 | -112.2 | 0 | 0 | 0 | 111.5 | F936 A953 Y960 L961 | F936-Y957 AromaticContact CE2-CE2 3.82Å; F936-Y957 HydrophobicContact CE2-CE2 3.82Å; F936-Y957 AromaticContact CZ-CE2 3.8Å; F936-Y957 HydrophobicContact CZ-CE2 3.8Å; A953-Y957 WeakPolarHBondContact O-CB 3.42Å; A953-Y957 PolarHBondContact O-N 3.2Å; Y957-Y960 PolarHBondContact O-N 2.92Å; Y957-L961 HydrophobicContact CD1-CD1 3.89Å; Y957-L961 HydrophobicContact CE1-CD1 3.42Å; Y957-L961 VanDerWaalsContact CE1-CD1 3.42Å; Y957-L961 HydrophobicContact CE1-CG 4.36Å; Y957-L961 HydrophobicContact CE2-CD1 4.14Å; Y957-L961 HydrophobicContact CE2-CG 4.24Å; Y957-L961 HydrophobicContact CG-CD1 4.43Å; Y957-L961 VanDerWaalsContact O-CB 3.29Å; Y957-L961 WeakPolarHBondContact O-CB 3.45Å; Y957-L961 PolarHBondContact O-N 3.4Å |
| 958 | A | 38.5 | Very low | 36.7 | Very low | 43 Ų | 43 | 83 Ų | 83 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F954 Q955 F962 | F954-A958 VanDerWaalsContact O-CB 3.26Å; F954-A958 WeakPolarHBondContact O-CB 3.45Å; F954-A958 PolarHBondContact O-N 3.25Å; Q955-A958 PolarHBondContact O-N 3.49Å; A958-F962 WeakPolarHBondContact O-CB 3.31Å; A958-F962 PolarHBondContact O-N 2.84Å |
| 959 | V | 37.1 | Very low | 36.3 | Very low | 90 Ų | 90 | 79.7 Ų | 79.7 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 177.2 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | Q955 L956 F962 R963 | Q955-V959 WeakPolarHBondContact O-CG2 3.42Å; Q955-V959 PolarHBondContact O-N 2.79Å; Q955-V959 VanDerWaalsContact O-N 3.08Å; L956-V959 PolarHBondContact O-N 2.66Å; V959-F962 PolarHBondContact O-N 2.97Å; V959-R963 PolarHBondContact O-N 3.34Å |
| 960 | Y | 37.5 | Very low | 35.9 | Very low | 65 Ų | 65 | 80.1 Ų | 80.1 | 26% | 0.255 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73.5 | -36.2 | 177.5 | -167 | -94.6 | 0 | 0 | 0 | 112.4 | M935 A939 L956 Y957 R963 L964 L1031 | M935-Y960 PolarHBondContact O-OH 3.2Å; A939-Y960 HydrophobicContact CB-CD1 3.59Å; A939-Y960 HydrophobicContact CB-CD2 4.39Å; A939-Y960 HydrophobicContact CB-CE1 3.11Å; A939-Y960 HydrophobicContact CB-CE2 4.02Å; A939-Y960 HydrophobicContact CB-CG 4.19Å; L956-Y960 WeakPolarHBondContact O-CB 3.16Å; L956-Y960 PolarHBondContact O-N 2.69Å; Y957-Y960 PolarHBondContact O-N 2.92Å; Y960-R963 PolarHBondContact O-N 2.92Å; Y960-L964 HydrophobicContact CD1-CD1 3.88Å; Y960-L964 HydrophobicContact CE1-CD1 3.43Å; Y960-L964 VanDerWaalsContact CE1-CD1 3.43Å; Y960-L964 HydrophobicContact CE1-CG 4.31Å; Y960-L964 PolarHBondContact O-N 2.66Å; Y960-L1031 HydrophobicContact CE2-CD2 4.4Å |
| 961 | L | 38.5 | Very low | 35.6 | Very low | 30 Ų | 30 | 79.8 Ų | 79.8 | 16% | 0.157 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.6 | -50.3 | 166.3 | -89.2 | 173.8 | 0 | 0 | 0 | 110.6 | F936 Y957 R963 L964 E965 | F936-L961 HydrophobicContact CD2-CD2 4.37Å; F936-L961 HydrophobicContact CE2-CD2 3.66Å; F936-L961 HydrophobicContact CE2-CG 4.3Å; Y957-L961 HydrophobicContact CD1-CD1 3.89Å; Y957-L961 HydrophobicContact CE1-CD1 3.42Å; Y957-L961 VanDerWaalsContact CE1-CD1 3.42Å; Y957-L961 HydrophobicContact CE1-CG 4.36Å; Y957-L961 HydrophobicContact CE2-CD1 4.14Å; Y957-L961 HydrophobicContact CE2-CG 4.24Å; Y957-L961 HydrophobicContact CG-CD1 4.43Å; Y957-L961 VanDerWaalsContact O-CB 3.29Å; Y957-L961 WeakPolarHBondContact O-CB 3.45Å; Y957-L961 PolarHBondContact O-N 3.4Å; L961-R963 PolarHBondContact O-N 3.28Å; L961-R963 VanDerWaalsContact O-N 3.1Å; L961-L964 CarbonylContact O-C 3.54Å; L961-L964 PolarHBondContact O-N 3.13Å; L961-E965 HydrophobicContact CD2-CG 4.19Å; L961-E965 WeakPolarHBondContact O-CB 3.42Å; L961-E965 WeakPolarHBondContact O-CG 3.47Å; L961-E965 PolarHBondContact O-N 2.79Å |
| 962 | F | 36.6 | Very low | 35 | Very low | 87 Ų | 87 | 81.3 Ų | 81.3 | 38% | 0.382 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -54 | -37.3 | -179.4 | -146.6 | -77.6 | 0 | 0 | 0 | 112.4 | A958 V959 W966 | A958-F962 WeakPolarHBondContact O-CB 3.31Å; A958-F962 PolarHBondContact O-N 2.84Å; V959-F962 PolarHBondContact O-N 2.97Å; F962-W966 PolarHBondContact O-N 2.81Å |
| 963 | R | 32.9 | Very low | 34.6 | Very low | 188 Ų | 188 | 82.6 Ų | 82.6 | 71% | 0.709 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -78.2 | -16.5 | 178.8 | -132 | 177.5 | -167 | -158.9 | -0.4 | 115 | V959 Y960 L961 | V959-R963 PolarHBondContact O-N 3.34Å; Y960-R963 PolarHBondContact O-N 2.92Å; L961-R963 PolarHBondContact O-N 3.28Å; L961-R963 VanDerWaalsContact O-N 3.1Å |
| 964 | L | 35.1 | Very low | 33.9 | Very low | 40 Ų | 40 | 90 Ų | 90 | 21% | 0.209 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -99 | -33.6 | 172.6 | -75.4 | 173.4 | 0 | 0 | 0 | 112.4 | F936 Y960 L961 W966 H968 | F936-L964 HydrophobicContact CB-CD1 4.13Å; F936-L964 HydrophobicContact CD2-CD1 4.16Å; Y960-L964 HydrophobicContact CD1-CD1 3.88Å; Y960-L964 HydrophobicContact CE1-CD1 3.43Å; Y960-L964 VanDerWaalsContact CE1-CD1 3.43Å; Y960-L964 HydrophobicContact CE1-CG 4.31Å; Y960-L964 PolarHBondContact O-N 2.66Å; L961-L964 CarbonylContact O-C 3.54Å; L961-L964 PolarHBondContact O-N 3.13Å; L964-W966 VanDerWaalsContact C-N 3.25Å; L964-W966 PolarHBondContact O-N 3.1Å; L964-H968 PolarHBondContact O-CD2 2.94Å |
| 965 | E | 34.6 | Very low | 33.4 | Very low | 74 Ų | 74 | 92.5 Ų | 92.5 | 35% | 0.346 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -78.6 | -8.8 | 179.6 | -67.1 | -173.9 | 146.7 | 0 | 0 | 113 | L961 L967 H968 | L961-E965 HydrophobicContact CD2-CG 4.19Å; L961-E965 WeakPolarHBondContact O-CB 3.42Å; L961-E965 WeakPolarHBondContact O-CG 3.47Å; L961-E965 PolarHBondContact O-N 2.79Å; E965-L967 PolarHBondContact O-N 3Å; E965-L967 VanDerWaalsContact O-N 3.08Å; E965-H968 CarbonylContact O-C 3.39Å; E965-H968 PolarHBondContact O-N 2.93Å |
| 966 | W | 32.5 | Very low | 32.8 | Very low | 129 Ų | 129 | 91.5 Ų | 91.5 | 49% | 0.489 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -23.8 | 169 | -152.3 | 79.5 | 0 | 0 | 0 | 113.6 | F962 L964 L986 | F962-W966 PolarHBondContact O-N 2.81Å; L964-W966 VanDerWaalsContact C-N 3.25Å; L964-W966 PolarHBondContact O-N 3.1Å; W966-L986 HydrophobicContact CZ2-CD1 4.38Å; W966-L986 HydrophobicContact CZ2-CD2 3.89Å; W966-L986 HydrophobicContact CZ2-CG 3.79Å |
| 967 | L | 30.4 | Very low | 32.2 | Very low | 40 Ų | 40 | 97.1 Ų | 97.1 | 21% | 0.209 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -97.4 | -21.6 | 168.6 | -80 | 165.7 | 0 | 0 | 0 | 114 | E965 K1162 Q1179 Y1183 | E965-L967 PolarHBondContact O-N 3Å; E965-L967 VanDerWaalsContact O-N 3.08Å; L967-K1162 PolarHBondContact O-NZ 2.69Å; L967-Q1179 HydrophobicContact CD1-CB 4.14Å; L967-Y1183 HydrophobicContact CB-CD2 4Å; L967-Y1183 HydrophobicContact CB-CE2 4.37Å; L967-Y1183 WeakPolarHBondContact O-CE2 3.49Å |
| 968 | H | 36.7 | Very low | 31.5 | Very low | 49 Ų | 49 | 102 Ų | 102 | 23% | 0.227 | 54% | 0.544 | C | S | . | . | trans | -112 | 76.7 | -166.6 | -69.5 | -79.4 | 0 | 0 | 0 | 113.9 | L964 E965 Y1183 R1186 | L964-H968 PolarHBondContact O-CD2 2.94Å; E965-H968 CarbonylContact O-C 3.39Å; E965-H968 PolarHBondContact O-N 2.93Å; H968-Y1183 AromaticContact CE1-CD2 3.14Å; H968-Y1183 WeakPolarHBondContact CE1-CD2 3.47Å; H968-Y1183 AromaticContact CE1-CE2 3.57Å; H968-Y1183 AromaticContact CE1-CG 3.96Å; H968-Y1183 AromaticContact CG-CD2 3.99Å; H968-Y1183 AromaticContact CG-CE2 3.93Å; H968-Y1183 AromaticContact ND1-CD2 3.41Å; H968-Y1183 WeakPolarHBondContact ND1-CD2 3.32Å; H968-Y1183 AromaticContact ND1-CE2 3.31Å; H968-Y1183 VanDerWaalsContact ND1-CE2 3.31Å; H968-Y1183 WeakPolarHBondContact ND1-CE2 3.26Å; H968-Y1183 AromaticContact NE2-CD2 3.64Å; H968-R1186 PolarHBondContact CD2-NH1 2.86Å; H968-R1186 PolarHBondContact NE2-NH1 2.86Å; H968-R1186 VanDerWaalsContact NE2-NH1 3.15Å | ||
| 969 | S | 31.2 | Very low | 31 | Very low | 54 Ų | 54 | 107.4 Ų | 107.4 | 38% | 0.378 | 57% | 0.567 | S | S | . | * | trans | -150 | 99.5 | 156.1 | 178.5 | 0 | 0 | 0 | 0 | 112.5 | P989 | S969-P989 WeakPolarHBondContact OG-CB 3.46Š| ||
| 970 | T | 29.8 | Very low | 30.6 | Very low | 115 Ų | 115 | 105.5 Ų | 105.5 | 71% | 0.706 | 57% | 0.565 | S | S | * | * | trans | 177 | 136.5 | 131.1 | 31.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 971 | N | 30.1 | Very low | 30.3 | Very low | 143 Ų | 143 | 109 Ų | 109 | 77% | 0.765 | 58% | 0.582 | S | S | * | * | trans | -83.4 | 145.4 | 158.7 | -81.8 | -5.3 | 0 | 0 | 0 | 108.4 | T973 | N971-T973 PolarHBondContact O-N 2.96Š| ||
| 972 | P | 25.6 | Very low | 30.1 | Very low | 131 Ų | 131 | 109.5 Ų | 109.5 | 85% | 0.851 | 59% | 0.586 | S | S | * | * | trans | -74.6 | 111.2 | 168.1 | 30.6 | -31.3 | 0 | 0 | 0 | 109.4 | ||||
| 973 | T | 26.3 | Very low | 30.1 | Very low | 129 Ų | 129 | 108.9 Ų | 108.9 | 79% | 0.791 | 58% | 0.583 | S | S | * | * | trans | -122.4 | 136.8 | 162.1 | 50.3 | 0 | 0 | 0 | 0 | 108.2 | N971 | N971-T973 PolarHBondContact O-N 2.96Š| ||
| 974 | E | 26.4 | Very low | 30 | Very low | 175 Ų | 175 | 103.7 Ų | 103.7 | 82% | 0.818 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -69.9 | 160.8 | -165.9 | -61.9 | 161 | 127.4 | 0 | 0 | 113.4 | ||
| 975 | N | 25.3 | Very low | 30.1 | Very low | 168 Ų | 168 | 105.5 Ų | 105.5 | 90% | 0.898 | 59% | 0.587 | S | S | * | * | trans | 77.2 | 112.5 | 175.8 | -44.7 | -69.6 | 0 | 0 | 0 | 116.2 | ||||
| 976 | G | 25.7 | Very low | 30 | Very low | 74 Ų | 74 | 105.1 Ų | 105.1 | 76% | 0.763 | 59% | 0.587 | S | S | * | * | trans | 149.4 | 45.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | Q978 | G976-Q978 PolarHBondContact O-N 2.78Š| ||
| 977 | L | 24.5 | Very low | 29.9 | Very low | 148 Ų | 148 | 102.9 Ų | 102.9 | 78% | 0.775 | 59% | 0.591 | S | S | * | * | trans | -82.2 | 57.8 | -178.4 | -150.4 | 129.5 | 0 | 0 | 0 | 112.6 | ||||
| 978 | Q | 26.3 | Very low | 29.9 | Very low | 171 Ų | 171 | 103.9 Ų | 103.9 | 80% | 0.799 | 60% | 0.602 | S | S | * | * | trans | -140.5 | 151.9 | 177.5 | -70.4 | -171.5 | -14.3 | 0 | 0 | 111.8 | G976 | G976-Q978 PolarHBondContact O-N 2.78Š| ||
| 979 | N | 27.5 | Very low | 29.5 | Very low | 155 Ų | 155 | 104.3 Ų | 104.3 | 83% | 0.829 | 61% | 0.609 | S | S | * | * | trans | 66.2 | 59.9 | -177.3 | -57.3 | -47 | 0 | 0 | 0 | 116.3 | K981 | N979-K981 PolarHBondContact O-N 2.91Š| ||
| 980 | G | 28.5 | Very low | 29.4 | Very low | 50 Ų | 50 | 112.9 Ų | 112.9 | 52% | 0.515 | 63% | 0.633 | S | S | . | * | trans | -65.5 | 124.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112 | R1235 | G980-R1235 PolarHBondContact O-NH1 2.85Š| ||
| 981 | K | 31.1 | Very low | 29.4 | Very low | 140 Ų | 140 | 112.6 Ų | 112.6 | 61% | 0.609 | 63% | 0.633 | S | S | * | * | trans | -103.3 | 153.5 | 165.3 | -73.6 | -168.6 | 169.2 | -159.9 | 0 | 110.6 | N979 | N979-K981 PolarHBondContact O-N 2.91Š| ||
| 982 | T | 35.2 | Very low | 29.3 | Very low | 40 Ų | 40 | 110.1 Ų | 110.1 | 25% | 0.245 | 63% | 0.625 | C | S | . | * | S | Bend | trans | -118.2 | 27.1 | -162.1 | 3.7 | 0 | 0 | 0 | 0 | 116.9 | G1232 E1233 R1235 | T982-G1232 WeakPolarHBondContact CG2-O 3.2Å; T982-E1233 VanDerWaalsContact CG2-O 3.32Å; T982-E1233 WeakPolarHBondContact CG2-O 3.3Å; T982-R1235 HydrophobicContact CG2-CG 4.31Å; T982-R1235 WeakPolarHBondContact OG1-CD 3.31Å; T982-R1235 PolarHBondContact OG1-NE 3.08Å |
| 983 | F | 37 | Very low | 29.3 | Very low | 73 Ų | 73 | 112.5 Ų | 112.5 | 32% | 0.32 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -115.1 | 71.8 | 154.9 | -63.8 | -91.5 | 0 | 0 | 0 | 109.8 | K985 L1332 L1333 F1337 E1385 | F983-K985 PolarHBondContact O-N 2.78Å; F983-L1332 HydrophobicContact CE1-CB 4.12Å; F983-L1332 HydrophobicContact CZ-CB 3.89Å; F983-L1332 HydrophobicContact CZ-CD1 4.49Å; F983-L1333 HydrophobicContact CD1-CD2 3.98Å; F983-L1333 HydrophobicContact CE1-CD2 3.54Å; F983-L1333 HydrophobicContact CE1-CG 4.26Å; F983-L1333 HydrophobicContact CZ-CD2 3.93Å; F983-L1333 HydrophobicContact CZ-CG 4.37Å; F983-F1337 HydrophobicContact CD1-CE1 4.36Å; F983-F1337 AromaticContact CD1-CZ 3.99Å; F983-F1337 HydrophobicContact CD1-CZ 3.99Å; F983-F1337 HydrophobicContact CE1-CE1 4.35Å; F983-F1337 AromaticContact CE1-CZ 3.91Å; F983-F1337 HydrophobicContact CE1-CZ 3.91Å; F983-E1385 HydrophobicContact CB-CG 4.15Å; F983-E1385 WeakPolarHBondContact CB-OE1 2.87Å; F983-E1385 HydrophobicContact CD2-CB 4.22Å; F983-E1385 HydrophobicContact CD2-CG 3.92Å; F983-E1385 HydrophobicContact CG-CG 4.4Å; F983-E1385 PolarHBondContact N-OE1 3.38Å |
| 984 | A | 30.8 | Very low | 29.4 | Very low | 80 Ų | 80 | 111.3 Ų | 111.3 | 66% | 0.661 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 122.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 985 | K | 36.4 | Very low | 29.3 | Very low | 77 Ų | 77 | 107.1 Ų | 107.1 | 34% | 0.335 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 73.4 | 44.3 | 162.3 | -63.1 | 149.6 | -179.3 | 160.6 | 0 | 116.6 | F983 D1161 K1162 | F983-K985 PolarHBondContact O-N 2.78Å; K985-D1161 PolarHBondContact NZ-O 2.88Å; K985-D1161 IonicContact NZ-OD2 3.1Å; K985-D1161 PolarHBondContact NZ-OD2 3.17Å; K985-K1162 HydrophobicContact CD-CB 4.32Å; K985-K1162 HydrophobicContact CD-CG 4.25Å |
| 986 | L | 32.9 | Very low | 29.4 | Very low | 66 Ų | 66 | 103 Ų | 103 | 35% | 0.346 | 59% | 0.59 | S | S | . | * | trans | -115.9 | -0.7 | 148 | -117.2 | 166.5 | 0 | 0 | 0 | 113.4 | W966 S988 V1370 | W966-L986 HydrophobicContact CZ2-CD1 4.38Å; W966-L986 HydrophobicContact CZ2-CD2 3.89Å; W966-L986 HydrophobicContact CZ2-CG 3.79Å; L986-S988 PolarHBondContact O-N 2.86Å; L986-V1370 HydrophobicContact CD1-CG1 4.25Å; L986-V1370 HydrophobicContact CD1-CG2 4.07Å | ||
| 987 | S | 30.3 | Very low | 29.3 | Very low | 83 Ų | 83 | 107.4 Ų | 107.4 | 58% | 0.58 | 59% | 0.588 | S | S | * | * | trans | -75.3 | 114.6 | 174.9 | 39.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 988 | S | 30.3 | Very low | 29.4 | Very low | 61 Ų | 61 | 106.2 Ų | 106.2 | 43% | 0.427 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 142.2 | 167.8 | 57.6 | 0 | 0 | 0 | 0 | 110.4 | L986 | L986-S988 PolarHBondContact O-N 2.86Š|
| 989 | P | 29.4 | Very low | 29.3 | Very low | 58 Ų | 58 | 103 Ų | 103 | 38% | 0.377 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 161.3 | 157.8 | 33.1 | -37.5 | 0 | 0 | 0 | 109.1 | S969 | S969-P989 WeakPolarHBondContact OG-CB 3.46Š|
| 990 | R | 28.1 | Very low | 29.4 | Very low | 233 Ų | 233 | 100.8 Ų | 100.8 | 88% | 0.879 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 141.8 | 154.1 | -68.1 | -179.9 | -178.6 | 167.9 | 2.7 | 107 | P992 | R990-P992 VanDerWaalsContact O-N 3.1Š|
| 991 | P | 29 | Very low | 29.2 | Very low | 109 Ų | 109 | 105 Ų | 105 | 71% | 0.708 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 127.4 | 169.8 | 24 | -33.2 | 0 | 0 | 0 | 107.2 | ||
| 992 | P | 27.9 | Very low | 29.2 | Very low | 91 Ų | 91 | 104.2 Ų | 104.2 | 59% | 0.591 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 149.1 | 173.6 | 24.9 | -33.5 | 0 | 0 | 0 | 107.7 | R990 I994 | R990-P992 VanDerWaalsContact O-N 3.1Å; P992-I994 VanDerWaalsContact C-N 3.3Å; P992-I994 PolarHBondContact O-N 2.96Å |
| 993 | E | 26.9 | Very low | 28.9 | Very low | 181 Ų | 181 | 110.1 Ų | 110.1 | 85% | 0.846 | 58% | 0.582 | S | S | * | * | trans | -59.5 | 98.7 | 176.1 | -71.1 | -157.9 | 143.6 | 0 | 0 | 108.7 | P995 | E993-P995 WeakPolarHBondContact O-CD 3.46Š| ||
| 994 | I | 28.6 | Very low | 28.6 | Very low | 104 Ų | 104 | 113.4 Ų | 113.4 | 53% | 0.533 | 61% | 0.608 | S | S | . | * | trans | -56.3 | 115.2 | 170.4 | -59.7 | 176.7 | 0 | 0 | 0 | 104.3 | F954 P992 A996 F998 | F954-I994 HydrophobicContact CZ-CD1 4.1Å; P992-I994 VanDerWaalsContact C-N 3.3Å; P992-I994 PolarHBondContact O-N 2.96Å; I994-A996 PolarHBondContact O-N 2.79Å; I994-F998 HydrophobicContact CG2-CD2 4.23Å | ||
| 995 | P | 24.6 | Very low | 28.6 | Very low | 87 Ų | 87 | 113.3 Ų | 113.3 | 57% | 0.565 | 60% | 0.596 | S | S | * | * | trans | -55 | 137.6 | -175.7 | -27.1 | 35.9 | 0 | 0 | 0 | 108.6 | E993 K997 F998 | E993-P995 WeakPolarHBondContact O-CD 3.46Å; P995-K997 CarbonylContact O-C 3.14Å; P995-K997 PolarHBondContact O-N 2.94Å; P995-F998 PolarHBondContact O-N 2.8Å | ||
| 996 | A | 26.5 | Very low | 28.8 | Very low | 83 Ų | 83 | 115.1 Ų | 115.1 | 69% | 0.686 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -69.6 | 25.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I994 | I994-A996 PolarHBondContact O-N 2.79Š|
| 997 | K | 24.1 | Very low | 29.4 | Very low | 165 Ų | 165 | 115.5 Ų | 115.5 | 72% | 0.717 | 61% | 0.609 | S | S | * | * | trans | -142 | 77.6 | 168.5 | -74.9 | -166.9 | 168.1 | -159.9 | 0 | 108.3 | P995 | P995-K997 CarbonylContact O-C 3.14Å; P995-K997 PolarHBondContact O-N 2.94Å | ||
| 998 | F | 25.9 | Very low | 30.3 | Very low | 123 Ų | 123 | 114 Ų | 114 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | trans | -96.6 | 86.9 | 141.5 | -111.8 | -87.1 | 0 | 0 | 0 | 105.4 | I994 P995 L1000 | I994-F998 HydrophobicContact CG2-CD2 4.23Å; P995-F998 PolarHBondContact O-N 2.8Å; F998-L1000 PolarHBondContact O-N 2.88Å | ||
| 999 | D | 24.8 | Very low | 31.3 | Very low | 104 Ų | 104 | 114.6 Ų | 114.6 | 56% | 0.556 | 59% | 0.593 | S | S | * | * | trans | -64.1 | 107.4 | 169.6 | -75.3 | -52.8 | 0 | 0 | 0 | 107 | N1001 | D999-N1001 PolarHBondContact O-N 3.05Š| ||
| 1000 | L | 28.9 | Very low | 32.4 | Very low | 109 Ų | 109 | 114.1 Ų | 114.1 | 57% | 0.571 | 59% | 0.589 | S | S | * | * | trans | -75.6 | 32.5 | 173.9 | -82.3 | 168.9 | 0 | 0 | 0 | 112.1 | F998 Y1002 | F998-L1000 PolarHBondContact O-N 2.88Å; L1000-Y1002 HydrophobicContact CD2-CD2 4.27Å; L1000-Y1002 PolarHBondContact O-N 3.2Å | ||
| 1001 | N | 25.3 | Very low | 33.8 | Very low | 139 Ų | 139 | 104.1 Ų | 104.1 | 74% | 0.743 | 55% | 0.553 | S | S | * | * | trans | -71.6 | 48.1 | 159.3 | -74.3 | 4.9 | 0 | 0 | 0 | 110.6 | D999 E1003 | D999-N1001 PolarHBondContact O-N 3.05Å; N1001-E1003 PolarHBondContact O-N 3.03Å; N1001-E1003 VanDerWaalsContact O-N 3.09Å | ||
| 1002 | Y | 30.8 | Very low | 35.1 | Very low | 123 Ų | 123 | 104.1 Ų | 104.1 | 48% | 0.482 | 54% | 0.539 | S | S | . | . | trans | -75.3 | 82.6 | 147.6 | -75.7 | -92.5 | 0 | 0 | 0 | 105.9 | L1000 I1005 | L1000-Y1002 HydrophobicContact CD2-CD2 4.27Å; L1000-Y1002 PolarHBondContact O-N 3.2Å; Y1002-I1005 HydrophobicContact CD1-CD1 4.07Å; Y1002-I1005 HydrophobicContact CE1-CD1 4.48Å | ||
| 1003 | E | 27.5 | Very low | 36.7 | Very low | 163 Ų | 163 | 106.2 Ų | 106.2 | 76% | 0.762 | 54% | 0.539 | S | S | * | . | trans | -47.5 | 160 | 157 | -62.7 | -173.3 | 144.9 | 0 | 0 | 109.2 | N1001 I1005 | N1001-E1003 PolarHBondContact O-N 3.03Å; N1001-E1003 VanDerWaalsContact O-N 3.09Å; E1003-I1005 PolarHBondContact O-N 2.92Å | ||
| 1004 | T | 30.9 | Very low | 38.2 | Very low | 142 Ų | 142 | 99.4 Ų | 99.4 | 87% | 0.871 | 51% | 0.508 | S | S | * | . | trans | -65.8 | 83 | 179.5 | 49.6 | 0 | 0 | 0 | 0 | 111 | D1006 | T1004-D1006 PolarHBondContact O-N 2.75Š| ||
| 1005 | I | 32 | Very low | 39.9 | Very low | 79 Ų | 79 | 97.8 Ų | 97.8 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | trans | -58.2 | 119.8 | 170.2 | -63.4 | 178.4 | 0 | 0 | 0 | 106.3 | Y1002 E1003 H1007 T1010 | Y1002-I1005 HydrophobicContact CD1-CD1 4.07Å; Y1002-I1005 HydrophobicContact CE1-CD1 4.48Å; E1003-I1005 PolarHBondContact O-N 2.92Å; I1005-H1007 PolarHBondContact O-N 2.76Å; I1005-T1010 VanDerWaalsContact CG2-OG1 3.24Å; I1005-T1010 WeakPolarHBondContact CG2-OG1 3.34Å | ||
| 1006 | D | 40.6 | Very low | 41.9 | Very low | 114 Ų | 114 | 94.8 Ų | 94.8 | 61% | 0.61 | 48% | 0.482 | S | S | * | . | trans | -68.1 | 88.8 | 171.9 | -166.4 | -12.7 | 0 | 0 | 0 | 108.4 | T1004 D1008 D1009 T1010 | T1004-D1006 PolarHBondContact O-N 2.75Å; D1006-D1008 PolarHBondContact O-N 3.14Å; D1006-D1009 PolarHBondContact O-N 3.4Å; D1006-T1010 PolarHBondContact O-N 2.83Å | ||
| 1007 | H | 44.1 | Very low | 44 | Very low | 75 Ų | 75 | 94.5 Ų | 94.5 | 35% | 0.347 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.2 | -24.3 | -172.2 | -79.9 | -64.4 | 0 | 0 | 0 | 112.9 | I1005 D1009 L1011 | I1005-H1007 PolarHBondContact O-N 2.76Å; H1007-D1009 VanDerWaalsContact C-N 3.3Å; H1007-D1009 PolarHBondContact O-N 3.06Å; H1007-L1011 PolarHBondContact O-N 2.84Å; H1007-L1011 VanDerWaalsContact O-N 3.14Å |
| 1008 | D | 50.5 | Low | 46.2 | Very low | 52 Ų | 52 | 89.4 Ų | 89.4 | 28% | 0.278 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 175.7 | -161 | 3.1 | 0 | 0 | 0 | 110.9 | D1006 R1012 | D1006-D1008 PolarHBondContact O-N 3.14Å; D1008-R1012 VanDerWaalsContact CG-CZ 3.47Å; D1008-R1012 WeakPolarHBondContact O-CB 3.23Å; D1008-R1012 WeakPolarHBondContact O-CD 3.42Å; D1008-R1012 WeakPolarHBondContact O-CG 3.34Å; D1008-R1012 PolarHBondContact O-N 2.9Å; D1008-R1012 PolarHBondContact O-NE 3.26Å; D1008-R1012 IonicContact OD1-CZ 3.54Å; D1008-R1012 IonicContact OD1-NE 2.73Å; D1008-R1012 PolarHBondContact OD1-NE 3.4Å; D1008-R1012 IonicContact OD1-NH2 3.09Å; D1008-R1012 PolarHBondContact OD1-NH2 2.97Å; D1008-R1012 IonicContact OD2-CZ 3.6Å; D1008-R1012 IonicContact OD2-NE 2.71Å; D1008-R1012 IonicContact OD2-NH2 3.47Å; D1008-R1012 PolarHBondContact OD2-NH2 2.81Å |
| 1009 | D | 49.9 | Very low | 48.4 | Very low | 73 Ų | 73 | 85 Ų | 85 | 39% | 0.39 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -82.5 | -31.8 | -179.3 | -163.4 | 33.6 | 0 | 0 | 0 | 113.3 | D1006 H1007 R1012 K1013 | D1006-D1009 PolarHBondContact O-N 3.4Å; H1007-D1009 VanDerWaalsContact C-N 3.3Å; H1007-D1009 PolarHBondContact O-N 3.06Å; D1009-R1012 PolarHBondContact O-N 2.82Å; D1009-K1013 WeakPolarHBondContact O-CG 3.32Å; D1009-K1013 PolarHBondContact O-N 2.85Å; D1009-K1013 WeakPolarHBondContact OD1-CE 3.36Å; D1009-K1013 IonicContact OD1-NZ 2.7Å; D1009-K1013 PolarHBondContact OD1-NZ 3.42Å; D1009-K1013 WeakPolarHBondContact OD2-CE 3.27Å; D1009-K1013 IonicContact OD2-NZ 2.81Å; D1009-K1013 PolarHBondContact OD2-NZ 3.13Å |
| 1010 | T | 53.2 | Low | 50.6 | Low | 48 Ų | 48 | 83.2 Ų | 83.2 | 29% | 0.294 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.5 | -47 | 176.1 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | I1005 D1006 R1012 K1013 L1014 | I1005-T1010 VanDerWaalsContact CG2-OG1 3.24Å; I1005-T1010 WeakPolarHBondContact CG2-OG1 3.34Å; D1006-T1010 PolarHBondContact O-N 2.83Å; T1010-R1012 PolarHBondContact O-N 2.83Å; T1010-K1013 PolarHBondContact O-N 2.92Å; T1010-K1013 VanDerWaalsContact O-N 3.14Å; T1010-L1014 HydrophobicContact CG2-CD1 4.21Å; T1010-L1014 PolarHBondContact O-N 2.76Å |
| 1011 | L | 56.7 | Low | 52.9 | Low | 23 Ų | 23 | 78.8 Ų | 78.8 | 12% | 0.12 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65 | -28.1 | 176.2 | -100.8 | 159.8 | 0 | 0 | 0 | 112.4 | N900 M904 R907 H1007 K1013 F1024 | N900-L1011 HydrophobicContact CB-CD1 4.06Å; M904-L1011 HydrophobicContact CE-CD2 3.52Å; R907-L1011 PolarHBondContact NH1-O 3.49Å; H1007-L1011 PolarHBondContact O-N 2.84Å; H1007-L1011 VanDerWaalsContact O-N 3.14Å; L1011-K1013 VanDerWaalsContact C-N 3.33Å; L1011-K1013 PolarHBondContact O-N 3.25Å; L1011-F1024 HydrophobicContact CD1-CE2 4.39Å; L1011-F1024 HydrophobicContact CD1-CZ 4.03Å; L1011-F1024 HydrophobicContact CD2-CE2 4.14Å; L1011-F1024 HydrophobicContact CD2-CZ 4.17Å |
| 1012 | R | 58.3 | Low | 55.3 | Low | 109 Ų | 109 | 72.3 Ų | 72.3 | 41% | 0.411 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.7 | -31.3 | 173.1 | -77.5 | 165.8 | -163.8 | -158.4 | -0.5 | 113.2 | R907 D1008 D1009 T1010 | R907-R1012 PolarHBondContact NH2-O 3.15Å; D1008-R1012 VanDerWaalsContact CG-CZ 3.47Å; D1008-R1012 WeakPolarHBondContact O-CB 3.23Å; D1008-R1012 WeakPolarHBondContact O-CD 3.42Å; D1008-R1012 WeakPolarHBondContact O-CG 3.34Å; D1008-R1012 PolarHBondContact O-N 2.9Å; D1008-R1012 PolarHBondContact O-NE 3.26Å; D1008-R1012 IonicContact OD1-CZ 3.54Å; D1008-R1012 IonicContact OD1-NE 2.73Å; D1008-R1012 PolarHBondContact OD1-NE 3.4Å; D1008-R1012 IonicContact OD1-NH2 3.09Å; D1008-R1012 PolarHBondContact OD1-NH2 2.97Å; D1008-R1012 IonicContact OD2-CZ 3.6Å; D1008-R1012 IonicContact OD2-NE 2.71Å; D1008-R1012 IonicContact OD2-NH2 3.47Å; D1008-R1012 PolarHBondContact OD2-NH2 2.81Å; D1009-R1012 PolarHBondContact O-N 2.82Å; T1010-R1012 PolarHBondContact O-N 2.83Å |
| 1013 | K | 60 | Low | 57.6 | Low | 135 Ų | 135 | 67 Ų | 67 | 59% | 0.587 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -91.8 | -22.2 | -174.6 | -67.2 | 168.4 | -168.9 | 168.4 | 0 | 114.9 | P915 D1009 T1010 L1011 | P915-K1013 WeakPolarHBondContact CG-O 3.46Å; D1009-K1013 WeakPolarHBondContact O-CG 3.32Å; D1009-K1013 PolarHBondContact O-N 2.85Å; D1009-K1013 WeakPolarHBondContact OD1-CE 3.36Å; D1009-K1013 IonicContact OD1-NZ 2.7Å; D1009-K1013 PolarHBondContact OD1-NZ 3.42Å; D1009-K1013 WeakPolarHBondContact OD2-CE 3.27Å; D1009-K1013 IonicContact OD2-NZ 2.81Å; D1009-K1013 PolarHBondContact OD2-NZ 3.13Å; T1010-K1013 PolarHBondContact O-N 2.92Å; T1010-K1013 VanDerWaalsContact O-N 3.14Å; L1011-K1013 VanDerWaalsContact C-N 3.33Å; L1011-K1013 PolarHBondContact O-N 3.25Å |
| 1014 | L | 58.3 | Low | 60 | Low | 37 Ų | 37 | 59.5 Ų | 59.5 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | trans | -70.2 | 131.1 | -177.1 | -75.1 | 159.3 | 0 | 0 | 0 | 113.8 | P915 W930 T1010 | P915-L1014 WeakPolarHBondContact CG-O 3.39Å; W930-L1014 HydrophobicContact CG-CD2 4.47Å; W930-L1014 HydrophobicContact CZ2-CD1 3.59Å; T1010-L1014 HydrophobicContact CG2-CD1 4.21Å; T1010-L1014 PolarHBondContact O-N 2.76Å | ||
| 1015 | T | 65.6 | Low | 62.3 | Low | 71 Ų | 71 | 52.8 Ų | 52.8 | 44% | 0.436 | 27% | 0.271 | S | S | . | . | trans | -83.3 | 133.4 | 165.9 | 47.9 | 0 | 0 | 0 | 0 | 110.4 | P915 Q917 | P915-T1015 HydrophobicContact CG-CG2 4.06Å; P915-T1015 WeakPolarHBondContact O-CG2 3.32Å; Q917-T1015 HydrophobicContact CG-CG2 4.09Å | ||
| 1016 | M | 65.8 | Low | 64.5 | Low | 23 Ų | 23 | 50.9 Ų | 50.9 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | trans | -141.1 | 141.1 | -179.7 | -62.4 | 175.8 | 74 | 0 | 0 | 110.8 | M904 W930 I934 E1020 K1021 F1024 | M904-M1016 HydrophobicContact CE-CE 4.27Å; M904-M1016 HydrophobicContact CE-SD 3.57Å; M904-M1016 VanDerWaalsContact CE-SD 3.57Å; M904-M1016 HydrophobicContact SD-SD 3.9Å; W930-M1016 HydrophobicContact CZ3-CE 3.93Å; I934-M1016 HydrophobicContact CD1-CE 3.93Å; M1016-E1020 HydrophobicContact CB-CB 4.26Å; M1016-E1020 HydrophobicContact CE-CB 3.85Å; M1016-K1021 HydrophobicContact CB-CG 3.95Å; M1016-K1021 WeakPolarHBondContact O-CE 3.47Å; M1016-K1021 PolarHBondContact O-NZ 2.87Å; M1016-F1024 HydrophobicContact CE-CB 4.23Å; M1016-F1024 HydrophobicContact CE-CD2 4.43Å | ||
| 1017 | T | 71.6 | Confident | 66 | Low | 77 Ų | 77 | 45.5 Ų | 45.5 | 47% | 0.472 | 23% | 0.233 | S | C | . | . | trans | -66.9 | 162 | 171.3 | 66.5 | 0 | 0 | 0 | 0 | 111.6 | M1019 E1020 K1021 | T1017-M1019 PolarHBondContact O-N 3.42Å; T1017-E1020 VanDerWaalsContact CB-OE2 3.24Å; T1017-E1020 WeakPolarHBondContact CB-OE2 3.45Å; T1017-E1020 VanDerWaalsContact CG2-OE2 3.28Å; T1017-E1020 WeakPolarHBondContact CG2-OE2 3.3Å; T1017-E1020 PolarHBondContact N-OE2 3.48Å; T1017-E1020 PolarHBondContact O-N 3.41Å; T1017-E1020 VanDerWaalsContact OG1-CD 3.27Å; T1017-E1020 VanDerWaalsContact OG1-CG 3.3Å; T1017-E1020 WeakPolarHBondContact OG1-CG 3.49Å; T1017-E1020 PolarHBondContact OG1-N 2.97Å; T1017-E1020 PolarHBondContact OG1-OE2 3.3Å; T1017-K1021 VanDerWaalsContact O-CG 3.26Å; T1017-K1021 WeakPolarHBondContact O-CG 3.39Å; T1017-K1021 PolarHBondContact O-N 3.28Å | ||
| 1018 | S | 69 | Low | 67.6 | Low | 59 Ų | 59 | 42.5 Ų | 42.5 | 41% | 0.413 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.9 | -32.9 | 173.7 | -54.2 | 0 | 0 | 0 | 0 | 112.8 | F908 L1022 | F908-S1018 WeakPolarHBondContact CD2-O 3.36Å; F908-S1018 VanDerWaalsContact CE2-O 3.3Å; F908-S1018 WeakPolarHBondContact CE2-O 3.26Å; S1018-L1022 WeakPolarHBondContact O-CB 3.44Å; S1018-L1022 PolarHBondContact O-N 3.4Å; S1018-L1022 VanDerWaalsContact O-N 3.08Å |
| 1019 | M | 72.1 | Confident | 68.7 | Low | 29 Ų | 29 | 40.4 Ų | 40.4 | 14% | 0.143 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 177.2 | -174.7 | 73.3 | -120.7 | 0 | 0 | 111.1 | T1017 L1022 H1023 L1103 | T1017-M1019 PolarHBondContact O-N 3.42Å; M1019-L1022 PolarHBondContact O-N 3.24Å; M1019-H1023 WeakPolarHBondContact CE-CD2 3.16Å; M1019-H1023 WeakPolarHBondContact CE-NE2 3.35Å; M1019-H1023 PolarHBondContact O-N 3.39Å; M1019-L1103 HydrophobicContact CE-CD1 3.4Å; M1019-L1103 HydrophobicContact SD-CD1 3.54Å; M1019-L1103 VanDerWaalsContact SD-CD1 3.54Å |
| 1020 | E | 71.2 | Confident | 69.8 | Low | 67 Ų | 67 | 38.2 Ų | 38.2 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.7 | -39.9 | 179.4 | -70.9 | 162.2 | 135.4 | 0 | 0 | 112.3 | I934 M1016 T1017 L1022 H1023 F1024 | I934-E1020 HydrophobicContact CD1-CB 3.57Å; I934-E1020 HydrophobicContact CD1-CG 3.9Å; I934-E1020 VanDerWaalsContact CD1-O 3.3Å; I934-E1020 WeakPolarHBondContact CD1-O 3.48Å; M1016-E1020 HydrophobicContact CB-CB 4.26Å; M1016-E1020 HydrophobicContact CE-CB 3.85Å; T1017-E1020 VanDerWaalsContact CB-OE2 3.24Å; T1017-E1020 WeakPolarHBondContact CB-OE2 3.45Å; T1017-E1020 VanDerWaalsContact CG2-OE2 3.28Å; T1017-E1020 WeakPolarHBondContact CG2-OE2 3.3Å; T1017-E1020 PolarHBondContact N-OE2 3.48Å; T1017-E1020 PolarHBondContact O-N 3.41Å; T1017-E1020 VanDerWaalsContact OG1-CD 3.27Å; T1017-E1020 VanDerWaalsContact OG1-CG 3.3Å; T1017-E1020 WeakPolarHBondContact OG1-CG 3.49Å; T1017-E1020 PolarHBondContact OG1-N 2.97Å; T1017-E1020 PolarHBondContact OG1-OE2 3.3Å; E1020-L1022 VanDerWaalsContact C-N 3.31Å; E1020-L1022 PolarHBondContact O-N 2.92Å; E1020-H1023 PolarHBondContact O-N 2.99Å; E1020-F1024 WeakPolarHBondContact O-CB 3.44Å; E1020-F1024 PolarHBondContact O-N 2.99Å |
| 1021 | K | 77.3 | Confident | 70.3 | Confident | 16 Ų | 16 | 38.1 Ų | 38.1 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.7 | -42.5 | 173 | -70.4 | 168.2 | 174.3 | 173.1 | 0 | 111.5 | M904 R907 F908 S914 M1016 T1017 F1024 I1025 | M904-K1021 HydrophobicContact CG-CB 4.16Å; M904-K1021 HydrophobicContact CG-CG 4.34Å; M904-K1021 HydrophobicContact SD-CB 4.19Å; M904-K1021 HydrophobicContact SD-CG 3.72Å; R907-K1021 HydrophobicContact CB-CD 4.44Å; R907-K1021 WeakPolarHBondContact O-CE 3.19Å; R907-K1021 PolarHBondContact O-NZ 3.43Å; F908-K1021 HydrophobicContact CB-CB 4.24Å; F908-K1021 HydrophobicContact CD2-CB 4Å; S914-K1021 PolarHBondContact OG-NZ 3.43Å; M1016-K1021 HydrophobicContact CB-CG 3.95Å; M1016-K1021 WeakPolarHBondContact O-CE 3.47Å; M1016-K1021 PolarHBondContact O-NZ 2.87Å; T1017-K1021 VanDerWaalsContact O-CG 3.26Å; T1017-K1021 WeakPolarHBondContact O-CG 3.39Å; T1017-K1021 PolarHBondContact O-N 3.28Å; K1021-F1024 PolarHBondContact O-N 2.89Å; K1021-I1025 WeakPolarHBondContact O-CD1 3.22Å; K1021-I1025 VanDerWaalsContact O-CG1 3.3Å; K1021-I1025 WeakPolarHBondContact O-CG1 3.41Å; K1021-I1025 PolarHBondContact O-N 2.75Å; K1021-I1025 VanDerWaalsContact O-N 3.12Å |
| 1022 | L | 76.7 | Confident | 71.1 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.8 | -47.5 | 176.4 | -172.6 | 78.5 | 0 | 0 | 0 | 111.8 | F908 S1018 M1019 E1020 F1024 I1025 I1026 I1062 L1103 | F908-L1022 HydrophobicContact CD2-CB 4.39Å; F908-L1022 HydrophobicContact CE2-CB 3.98Å; F908-L1022 HydrophobicContact CE2-CD1 4.2Å; F908-L1022 HydrophobicContact CZ-CD1 4.27Å; S1018-L1022 WeakPolarHBondContact O-CB 3.44Å; S1018-L1022 PolarHBondContact O-N 3.4Å; S1018-L1022 VanDerWaalsContact O-N 3.08Å; M1019-L1022 PolarHBondContact O-N 3.24Å; E1020-L1022 VanDerWaalsContact C-N 3.31Å; E1020-L1022 PolarHBondContact O-N 2.92Å; L1022-F1024 PolarHBondContact O-N 2.93Å; L1022-I1025 PolarHBondContact O-N 3.33Å; L1022-I1026 HydrophobicContact CD1-CD1 3.86Å; L1022-I1026 HydrophobicContact CD1-CG1 4.47Å; L1022-I1026 HydrophobicContact CD2-CD1 4.33Å; L1022-I1026 HydrophobicContact CG-CD1 3.83Å; L1022-I1026 HydrophobicContact CG-CG1 4.48Å; L1022-I1026 PolarHBondContact O-N 2.8Å; L1022-I1062 HydrophobicContact CD1-CB 4.31Å; L1022-I1062 HydrophobicContact CD1-CD1 3.86Å; L1022-I1062 HydrophobicContact CD1-CG1 3.66Å; L1022-I1062 HydrophobicContact CD1-CG2 3.98Å; L1022-L1103 HydrophobicContact CD2-CD1 3.68Å; L1022-L1103 HydrophobicContact CD2-CD2 3.67Å; L1022-L1103 HydrophobicContact CD2-CG 4.21Å |
| 1023 | H | 77.6 | Confident | 71.7 | Confident | 12 Ų | 12 | 36.1 Ų | 36.1 | 6% | 0.056 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.3 | -36 | 173.4 | -86.8 | -154.9 | 0 | 0 | 0 | 111.7 | I934 M1019 E1020 G1027 P1098 | I934-H1023 HydrophobicContact CD1-CB 4.17Å; M1019-H1023 WeakPolarHBondContact CE-CD2 3.16Å; M1019-H1023 WeakPolarHBondContact CE-NE2 3.35Å; M1019-H1023 PolarHBondContact O-N 3.39Å; E1020-H1023 PolarHBondContact O-N 2.99Å; H1023-G1027 WeakPolarHBondContact O-CA 3.28Å; H1023-G1027 PolarHBondContact O-N 2.79Å; H1023-P1098 PolarHBondContact NE2-O 3.39Å |
| 1024 | F | 78.7 | Confident | 72.2 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.3 | -46.7 | 176.9 | -174.8 | -82.2 | 0 | 0 | 0 | 112.7 | N900 M904 I934 Q938 L1011 M1016 E1020 K1021 L1022 H1028 | N900-F1024 HydrophobicContact CB-CZ 4.46Å; M904-F1024 HydrophobicContact CB-CD1 3.89Å; M904-F1024 HydrophobicContact CB-CE1 4.22Å; M904-F1024 HydrophobicContact CE-CB 4.49Å; M904-F1024 HydrophobicContact CE-CD1 3.78Å; M904-F1024 HydrophobicContact CE-CD2 4.09Å; M904-F1024 HydrophobicContact CE-CE1 3.91Å; M904-F1024 HydrophobicContact CE-CE2 4.22Å; M904-F1024 HydrophobicContact CE-CG 3.87Å; M904-F1024 HydrophobicContact CE-CZ 4.12Å; M904-F1024 HydrophobicContact CG-CB 4.18Å; M904-F1024 HydrophobicContact CG-CD1 3.7Å; M904-F1024 HydrophobicContact CG-CE1 4.41Å; M904-F1024 HydrophobicContact CG-CG 4.16Å; I934-F1024 HydrophobicContact CG2-CB 4.11Å; I934-F1024 HydrophobicContact CG2-CD2 4.14Å; Q938-F1024 VanDerWaalsContact NE2-CA 3.31Å; Q938-F1024 PolarHBondContact NE2-O 3.41Å; L1011-F1024 HydrophobicContact CD1-CE2 4.39Å; L1011-F1024 HydrophobicContact CD1-CZ 4.03Å; L1011-F1024 HydrophobicContact CD2-CE2 4.14Å; L1011-F1024 HydrophobicContact CD2-CZ 4.17Å; M1016-F1024 HydrophobicContact CE-CB 4.23Å; M1016-F1024 HydrophobicContact CE-CD2 4.43Å; E1020-F1024 WeakPolarHBondContact O-CB 3.44Å; E1020-F1024 PolarHBondContact O-N 2.99Å; K1021-F1024 PolarHBondContact O-N 2.89Å; L1022-F1024 PolarHBondContact O-N 2.93Å; F1024-H1028 AromaticContact CD1-ND1 3.92Å; F1024-H1028 AromaticContact CE1-CE1 3.57Å; F1024-H1028 AromaticContact CE1-ND1 3.76Å; F1024-H1028 AromaticContact CE2-CE1 3.87Å; F1024-H1028 AromaticContact CZ-CE1 3.45Å; F1024-H1028 VanDerWaalsContact CZ-CE1 3.45Å; F1024-H1028 WeakPolarHBondContact CZ-CE1 3.38Å; F1024-H1028 PolarHBondContact O-N 2.79Å; F1024-H1028 PolarHBondContact O-ND1 3.45Å |
| 1025 | I | 79 | Confident | 73.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.5 | -50.7 | -180 | -63.8 | 158.1 | 0 | 0 | 0 | 110.3 | M904 I905 F908 K1021 L1022 G1029 I1039 I1062 | M904-I1025 HydrophobicContact CB-CD1 4.34Å; M904-I1025 HydrophobicContact CB-CG1 3.95Å; M904-I1025 HydrophobicContact CG-CD1 4.25Å; M904-I1025 HydrophobicContact CG-CG1 3.99Å; I905-I1025 HydrophobicContact CB-CD1 4.48Å; I905-I1025 HydrophobicContact CD1-CG2 4.5Å; I905-I1025 HydrophobicContact CG1-CD1 3.75Å; I905-I1025 HydrophobicContact CG1-CG1 4.06Å; I905-I1025 HydrophobicContact CG1-CG2 4.21Å; F908-I1025 HydrophobicContact CB-CD1 4.35Å; K1021-I1025 WeakPolarHBondContact O-CD1 3.22Å; K1021-I1025 VanDerWaalsContact O-CG1 3.3Å; K1021-I1025 WeakPolarHBondContact O-CG1 3.41Å; K1021-I1025 PolarHBondContact O-N 2.75Å; K1021-I1025 VanDerWaalsContact O-N 3.12Å; L1022-I1025 PolarHBondContact O-N 3.33Å; I1025-G1029 PolarHBondContact O-N 2.82Å; I1025-I1039 HydrophobicContact CG2-CG2 3.87Å; I1025-I1039 WeakPolarHBondContact O-CD1 3.43Å; I1025-I1062 HydrophobicContact CD1-CD1 4.09Å; I1025-I1062 HydrophobicContact CG2-CG2 4.19Å |
| 1026 | I | 78.2 | Confident | 73.9 | Confident | 40 Ų | 40 | 32.9 Ų | 32.9 | 21% | 0.205 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73 | -35.2 | -176 | -61 | 178.4 | 0 | 0 | 0 | 111.2 | L1022 H1028 G1029 I1030 I1062 P1097 P1098 | L1022-I1026 HydrophobicContact CD1-CD1 3.86Å; L1022-I1026 HydrophobicContact CD1-CG1 4.47Å; L1022-I1026 HydrophobicContact CD2-CD1 4.33Å; L1022-I1026 HydrophobicContact CG-CD1 3.83Å; L1022-I1026 HydrophobicContact CG-CG1 4.48Å; L1022-I1026 PolarHBondContact O-N 2.8Å; I1026-H1028 VanDerWaalsContact C-N 3.34Å; I1026-H1028 PolarHBondContact O-N 2.78Å; I1026-G1029 CarbonylContact O-C 3.57Å; I1026-G1029 WeakPolarHBondContact O-CA 3.21Å; I1026-G1029 PolarHBondContact O-N 3.06Å; I1026-I1030 HydrophobicContact CG2-CD1 3.86Å; I1026-I1030 HydrophobicContact CG2-CG1 4.15Å; I1026-I1030 WeakPolarHBondContact O-CG1 3.35Å; I1026-I1030 PolarHBondContact O-N 3.41Å; I1026-I1062 HydrophobicContact CD1-CG2 4.31Å; I1026-I1062 HydrophobicContact CG1-CG2 4.17Å; I1026-P1097 HydrophobicContact CG2-CB 4.41Å; I1026-P1098 HydrophobicContact CD1-CG 3.68Å |
| 1027 | G | 72.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.5 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | M935 H1023 G1029 I1030 L1031 | M935-G1027 VanDerWaalsContact SD-CA 3.52Å; H1023-G1027 WeakPolarHBondContact O-CA 3.28Å; H1023-G1027 PolarHBondContact O-N 2.79Å; G1027-G1029 VanDerWaalsContact C-N 3.34Å; G1027-G1029 PolarHBondContact O-N 3.27Å; G1027-I1030 PolarHBondContact O-N 2.87Å; G1027-L1031 WeakPolarHBondContact O-CB 3.43Å; G1027-L1031 WeakPolarHBondContact O-CG 3.32Å; G1027-L1031 PolarHBondContact O-N 3.47Å |
| 1028 | H | 76.2 | Confident | 75.1 | Confident | 13 Ų | 13 | 32 Ų | 32 | 6% | 0.06 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 172.3 | -81.7 | 93 | 0 | 0 | 0 | 112.3 | I901 Q938 F1024 I1026 R1032 I1039 | I901-H1028 HydrophobicContact CD1-CB 3.7Å; I901-H1028 HydrophobicContact CG1-CB 4.22Å; Q938-H1028 VanDerWaalsContact CD-CE1 3.49Å; Q938-H1028 PolarHBondContact NE2-CE1 3.31Å; Q938-H1028 PolarHBondContact NE2-ND1 2.99Å; F1024-H1028 AromaticContact CD1-ND1 3.92Å; F1024-H1028 AromaticContact CE1-CE1 3.57Å; F1024-H1028 AromaticContact CE1-ND1 3.76Å; F1024-H1028 AromaticContact CE2-CE1 3.87Å; F1024-H1028 AromaticContact CZ-CE1 3.45Å; F1024-H1028 VanDerWaalsContact CZ-CE1 3.45Å; F1024-H1028 WeakPolarHBondContact CZ-CE1 3.38Å; F1024-H1028 PolarHBondContact O-N 2.79Å; F1024-H1028 PolarHBondContact O-ND1 3.45Å; I1026-H1028 VanDerWaalsContact C-N 3.34Å; I1026-H1028 PolarHBondContact O-N 2.78Å; H1028-R1032 WeakPolarHBondContact O-CA 3.43Å; H1028-R1032 WeakPolarHBondContact O-CB 3.31Å; H1028-R1032 PolarHBondContact O-N 2.95Å; H1028-I1039 HydrophobicContact CB-CD1 4.43Å |
| 1029 | G | 73.7 | Confident | 75.7 | Confident | 7 Ų | 7 | 29.7 Ų | 29.7 | 7% | 0.072 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66 | -35.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1025 I1026 G1027 R1036 I1039 | I1025-G1029 PolarHBondContact O-N 2.82Å; I1026-G1029 CarbonylContact O-C 3.57Å; I1026-G1029 WeakPolarHBondContact O-CA 3.21Å; I1026-G1029 PolarHBondContact O-N 3.06Å; G1027-G1029 VanDerWaalsContact C-N 3.34Å; G1027-G1029 PolarHBondContact O-N 3.27Å; G1029-R1036 VanDerWaalsContact O-CG 3.22Å; G1029-R1036 WeakPolarHBondContact O-CG 3.49Å; G1029-R1036 PolarHBondContact O-NE 2.97Å; G1029-R1036 PolarHBondContact O-NH2 3.04Å; G1029-I1039 VanDerWaalsContact CA-CD1 3.48Å |
| 1030 | I | 73.1 | Confident | 76.2 | Confident | 28 Ų | 28 | 30.7 Ų | 30.7 | 14% | 0.144 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.3 | -56.6 | 175.2 | -69.6 | 172.5 | 0 | 0 | 0 | 110 | M935 I1026 G1027 R1036 S1095 Q1096 P1097 | M935-I1030 HydrophobicContact CE-CB 4.39Å; M935-I1030 HydrophobicContact CE-CG2 3.92Å; I1026-I1030 HydrophobicContact CG2-CD1 3.86Å; I1026-I1030 HydrophobicContact CG2-CG1 4.15Å; I1026-I1030 WeakPolarHBondContact O-CG1 3.35Å; I1026-I1030 PolarHBondContact O-N 3.41Å; G1027-I1030 PolarHBondContact O-N 2.87Å; I1030-R1036 PolarHBondContact O-NH2 2.7Å; I1030-S1095 WeakPolarHBondContact CG2-O 3.44Å; I1030-Q1096 WeakPolarHBondContact CD1-O 3.32Å; I1030-P1097 HydrophobicContact CD1-CB 4.37Å |
| 1031 | L | 65.1 | Low | 76.8 | Confident | 46 Ų | 46 | 27.9 Ų | 27.9 | 24% | 0.241 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.8 | -33.4 | -174.3 | -67 | 173 | 0 | 0 | 0 | 113.6 | M935 Q938 Y960 G1027 P1033 | M935-L1031 HydrophobicContact CE-CD1 4.31Å; M935-L1031 HydrophobicContact CE-CD2 3.9Å; M935-L1031 HydrophobicContact CE-CG 3.89Å; M935-L1031 HydrophobicContact SD-CD1 4.25Å; M935-L1031 HydrophobicContact SD-CG 4.36Å; Q938-L1031 HydrophobicContact CB-CD1 3.64Å; Y960-L1031 HydrophobicContact CE2-CD2 4.4Å; G1027-L1031 WeakPolarHBondContact O-CB 3.43Å; G1027-L1031 WeakPolarHBondContact O-CG 3.32Å; G1027-L1031 PolarHBondContact O-N 3.47Å; L1031-P1033 WeakPolarHBondContact O-CD 3.45Å |
| 1032 | R | 71.6 | Confident | 77.2 | Confident | 12 Ų | 12 | 27.1 Ų | 27.1 | 5% | 0.045 | 14% | 0.138 | C | C | . | . | trans | -119.8 | 89 | 175.8 | -56.4 | -169.5 | -162.5 | 176.1 | 4 | 109.8 | D892 S897 F942 H1028 Q1034 L1035 | D892-R1032 VanDerWaalsContact OD1-CD 3.23Å; D892-R1032 WeakPolarHBondContact OD1-CD 3.27Å; D892-R1032 IonicContact OD1-CZ 3.75Å; D892-R1032 IonicContact OD1-NE 3.91Å; D892-R1032 IonicContact OD1-NH1 2.7Å; D892-R1032 PolarHBondContact OD1-NH1 2.8Å; S897-R1032 PolarHBondContact OG-NH1 2.87Å; F942-R1032 HydrophobicContact CD2-CG 4.06Å; F942-R1032 HydrophobicContact CE2-CG 4.15Å; H1028-R1032 WeakPolarHBondContact O-CA 3.43Å; H1028-R1032 WeakPolarHBondContact O-CB 3.31Å; H1028-R1032 PolarHBondContact O-N 2.95Å; R1032-Q1034 PolarHBondContact O-N 3.34Å; R1032-L1035 HydrophobicContact CB-CB 4.33Å; R1032-L1035 HydrophobicContact CB-CD1 4.05Å; R1032-L1035 HydrophobicContact CB-CG 3.98Å; R1032-L1035 HydrophobicContact CG-CD1 4.45Å; R1032-L1035 PolarHBondContact O-N 3.23Å | ||
| 1033 | P | 71.3 | Confident | 77.4 | Confident | 77 Ų | 77 | 27 Ų | 27 | 50% | 0.5 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -23.3 | -177.7 | -28.5 | 35.6 | 0 | 0 | 0 | 115.6 | L1031 L1035 R1036 | L1031-P1033 WeakPolarHBondContact O-CD 3.45Å; P1033-L1035 VanDerWaalsContact C-N 3.35Å; P1033-R1036 WeakPolarHBondContact O-CB 3.38Å; P1033-R1036 WeakPolarHBondContact O-CG 3.4Å; P1033-R1036 PolarHBondContact O-N 3.1Å |
| 1034 | Q | 70.6 | Confident | 77.6 | Confident | 108 Ų | 108 | 26.5 Ų | 26.5 | 51% | 0.505 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -29.1 | 175.6 | -57.5 | -172.9 | 24.5 | 0 | 0 | 112.7 | H887 R1032 R1036 | H887-Q1034 PolarHBondContact CE1-O 3.09Å; R1032-Q1034 PolarHBondContact O-N 3.34Å; Q1034-R1036 VanDerWaalsContact C-N 3.26Å; Q1034-R1036 PolarHBondContact O-N 2.99Å |
| 1035 | L | 77.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -77.9 | -4.3 | 177.3 | -64.8 | -173.2 | 0 | 0 | 0 | 113.7 | D892 I901 R1032 P1033 E1038 I1039 | D892-L1035 HydrophobicContact CB-CD2 4Å; I901-L1035 HydrophobicContact CD1-CD1 3.81Å; R1032-L1035 HydrophobicContact CB-CB 4.33Å; R1032-L1035 HydrophobicContact CB-CD1 4.05Å; R1032-L1035 HydrophobicContact CB-CG 3.98Å; R1032-L1035 HydrophobicContact CG-CD1 4.45Å; R1032-L1035 PolarHBondContact O-N 3.23Å; P1033-L1035 VanDerWaalsContact C-N 3.35Å; L1035-E1038 HydrophobicContact CD2-CB 4.48Å; L1035-E1038 WeakPolarHBondContact O-CB 3.33Å; L1035-E1038 PolarHBondContact O-N 3.15Å; L1035-I1039 HydrophobicContact CB-CD1 4.34Å; L1035-I1039 WeakPolarHBondContact O-CB 3.14Å; L1035-I1039 WeakPolarHBondContact O-CD1 3.41Å; L1035-I1039 VanDerWaalsContact O-CG1 3.23Å; L1035-I1039 WeakPolarHBondContact O-CG1 3.3Å; L1035-I1039 PolarHBondContact O-N 3.08Å |
| 1036 | R | 81.6 | Confident | 78.2 | Confident | 68 Ų | 68 | 26.5 Ų | 26.5 | 26% | 0.257 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62 | -48.7 | 179.8 | -66.8 | 175.6 | -174.7 | -177.5 | 2.3 | 111.6 | G1029 I1030 P1033 Q1034 E1038 I1039 F1040 P1093 | G1029-R1036 VanDerWaalsContact O-CG 3.22Å; G1029-R1036 WeakPolarHBondContact O-CG 3.49Å; G1029-R1036 PolarHBondContact O-NE 2.97Å; G1029-R1036 PolarHBondContact O-NH2 3.04Å; I1030-R1036 PolarHBondContact O-NH2 2.7Å; P1033-R1036 WeakPolarHBondContact O-CB 3.38Å; P1033-R1036 WeakPolarHBondContact O-CG 3.4Å; P1033-R1036 PolarHBondContact O-N 3.1Å; Q1034-R1036 VanDerWaalsContact C-N 3.26Å; Q1034-R1036 PolarHBondContact O-N 2.99Å; R1036-E1038 VanDerWaalsContact C-N 3.29Å; R1036-E1038 PolarHBondContact O-N 3.02Å; R1036-I1039 PolarHBondContact O-N 3.1Å; R1036-F1040 HydrophobicContact CB-CE2 4.38Å; R1036-F1040 WeakPolarHBondContact O-CD2 3.47Å; R1036-F1040 WeakPolarHBondContact O-CG 3.4Å; R1036-F1040 PolarHBondContact O-N 3.27Å; R1036-P1093 VanDerWaalsContact NH1-CB 3.34Å |
| 1037 | D | 77.9 | Confident | 78.2 | Confident | 82 Ų | 82 | 25 Ų | 25 | 44% | 0.439 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -66.8 | -34.4 | -179.3 | -62.4 | -8.6 | 0 | 0 | 0 | 110.8 | L885 C1041 | L885-D1037 HydrophobicContact CD1-CB 3.67Å; D1037-C1041 WeakPolarHBondContact O-CB 3.48Å; D1037-C1041 PolarHBondContact O-N 2.87Å; D1037-C1041 PolarHBondContact O-SG 3.37Å |
| 1038 | E | 84.8 | Confident | 78.4 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.3 | -53 | 171.7 | 178.5 | 71.8 | -157.5 | 0 | 0 | 111.6 | P883 L884 L885 H887 S898 L1035 R1036 F1040 C1041 Q1042 | P883-E1038 WeakPolarHBondContact CA-OE1 3.31Å; L884-E1038 PolarHBondContact N-OE1 3.43Å; L884-E1038 PolarHBondContact N-OE2 3.37Å; L885-E1038 PolarHBondContact N-OE2 3.2Å; H887-E1038 IonicContact CD2-OE2 3.37Å; H887-E1038 IonicContact CE1-OE2 3.47Å; H887-E1038 IonicContact NE2-OE2 2.83Å; H887-E1038 PolarHBondContact NE2-OE2 3.35Å; S898-E1038 PolarHBondContact OG-OE1 3.32Å; L1035-E1038 HydrophobicContact CD2-CB 4.48Å; L1035-E1038 WeakPolarHBondContact O-CB 3.33Å; L1035-E1038 PolarHBondContact O-N 3.15Å; R1036-E1038 VanDerWaalsContact C-N 3.29Å; R1036-E1038 PolarHBondContact O-N 3.02Å; E1038-F1040 VanDerWaalsContact C-N 3.32Å; E1038-F1040 PolarHBondContact O-N 3.2Å; E1038-C1041 PolarHBondContact O-N 2.76Å; E1038-C1041 VanDerWaalsContact O-N 3.12Å; E1038-Q1042 WeakPolarHBondContact O-CG 3.31Å; E1038-Q1042 PolarHBondContact O-N 2.98Å; E1038-Q1042 PolarHBondContact OE1-NE2 3.44Å |
| 1039 | I | 82.4 | Confident | 78.5 | Confident | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.4 | -46.7 | 177.5 | -71.3 | 158.5 | 0 | 0 | 0 | 110.2 | I901 I1025 H1028 G1029 L1035 R1036 C1041 Q1042 I1043 | I901-I1039 HydrophobicContact CD1-CD1 4.46Å; I901-I1039 HydrophobicContact CD1-CG1 4.33Å; I901-I1039 HydrophobicContact CG2-CG1 3.86Å; I1025-I1039 HydrophobicContact CG2-CG2 3.87Å; I1025-I1039 WeakPolarHBondContact O-CD1 3.43Å; H1028-I1039 HydrophobicContact CB-CD1 4.43Å; G1029-I1039 VanDerWaalsContact CA-CD1 3.48Å; L1035-I1039 HydrophobicContact CB-CD1 4.34Å; L1035-I1039 WeakPolarHBondContact O-CB 3.14Å; L1035-I1039 WeakPolarHBondContact O-CD1 3.41Å; L1035-I1039 VanDerWaalsContact O-CG1 3.23Å; L1035-I1039 WeakPolarHBondContact O-CG1 3.3Å; L1035-I1039 PolarHBondContact O-N 3.08Å; R1036-I1039 PolarHBondContact O-N 3.1Å; I1039-C1041 PolarHBondContact O-N 2.97Å; I1039-Q1042 PolarHBondContact O-N 3.03Å; I1039-I1043 HydrophobicContact CG2-CD1 3.65Å; I1039-I1043 WeakPolarHBondContact O-CD1 3.18Å; I1039-I1043 VanDerWaalsContact O-CG1 3.27Å; I1039-I1043 WeakPolarHBondContact O-CG1 3.48Å; I1039-I1043 PolarHBondContact O-N 3.24Å |
| 1040 | F | 82 | Confident | 78.6 | Confident | 50 Ų | 50 | 31.4 Ų | 31.4 | 22% | 0.219 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -44 | 176.2 | -67.4 | -45 | 0 | 0 | 0 | 111.9 | R1036 E1038 Q1042 I1043 C1044 Y1064 | R1036-F1040 HydrophobicContact CB-CE2 4.38Å; R1036-F1040 WeakPolarHBondContact O-CD2 3.47Å; R1036-F1040 WeakPolarHBondContact O-CG 3.4Å; R1036-F1040 PolarHBondContact O-N 3.27Å; E1038-F1040 VanDerWaalsContact C-N 3.32Å; E1038-F1040 PolarHBondContact O-N 3.2Å; F1040-Q1042 VanDerWaalsContact C-N 3.34Å; F1040-Q1042 PolarHBondContact O-N 3.48Å; F1040-I1043 PolarHBondContact O-N 3.47Å; F1040-C1044 WeakPolarHBondContact O-CB 3.3Å; F1040-C1044 PolarHBondContact O-N 2.72Å; F1040-C1044 PolarHBondContact O-SG 2.65Å; F1040-Y1064 HydrophobicContact CE1-CD2 4.19Å; F1040-Y1064 HydrophobicContact CZ-CD2 4.47Å |
| 1041 | C | 83.5 | Confident | 78.7 | Confident | 8 Ų | 8 | 33.9 Ų | 33.9 | 5% | 0.054 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 176.4 | -72.6 | 0 | 0 | 0 | 0 | 112.6 | F867 L884 D1037 E1038 I1039 C1044 K1045 | F867-C1041 HydrophobicContact CE1-CB 3.78Å; F867-C1041 HydrophobicContact CZ-CB 3.86Å; L884-C1041 HydrophobicContact CB-CB 4.48Å; L884-C1041 HydrophobicContact CD1-CB 4.08Å; D1037-C1041 WeakPolarHBondContact O-CB 3.48Å; D1037-C1041 PolarHBondContact O-N 2.87Å; D1037-C1041 PolarHBondContact O-SG 3.37Å; E1038-C1041 PolarHBondContact O-N 2.76Å; E1038-C1041 VanDerWaalsContact O-N 3.12Å; I1039-C1041 PolarHBondContact O-N 2.97Å; C1041-C1044 PolarHBondContact O-N 2.9Å; C1041-K1045 WeakPolarHBondContact O-CB 3.34Å; C1041-K1045 PolarHBondContact O-N 2.89Å |
| 1042 | Q | 86.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -47 | 176.5 | -73 | -171 | 15.7 | 0 | 0 | 111.9 | L880 L884 S898 W902 I905 E1038 I1039 F1040 C1044 K1045 Q1046 | L880-Q1042 HydrophobicContact CD1-CG 4.23Å; L884-Q1042 HydrophobicContact CD1-CB 4.31Å; L884-Q1042 HydrophobicContact CD1-CG 3.64Å; L884-Q1042 HydrophobicContact CG-CG 4.23Å; S898-Q1042 PolarHBondContact O-NE2 3.08Å; S898-Q1042 PolarHBondContact OG-NE2 2.97Å; W902-Q1042 VanDerWaalsContact CA-OE1 3.29Å; W902-Q1042 HydrophobicContact CE3-CB 3.71Å; W902-Q1042 HydrophobicContact CE3-CG 3.68Å; W902-Q1042 HydrophobicContact CZ3-CB 3.87Å; W902-Q1042 HydrophobicContact CZ3-CG 4.11Å; W902-Q1042 WeakPolarHBondContact CZ3-O 3.15Å; I905-Q1042 HydrophobicContact CD1-CB 3.74Å; E1038-Q1042 WeakPolarHBondContact O-CG 3.31Å; E1038-Q1042 PolarHBondContact O-N 2.98Å; E1038-Q1042 PolarHBondContact OE1-NE2 3.44Å; I1039-Q1042 PolarHBondContact O-N 3.03Å; F1040-Q1042 VanDerWaalsContact C-N 3.34Å; F1040-Q1042 PolarHBondContact O-N 3.48Å; Q1042-C1044 VanDerWaalsContact C-N 3.33Å; Q1042-C1044 PolarHBondContact O-N 3.45Å; Q1042-K1045 WeakPolarHBondContact O-CB 3.22Å; Q1042-K1045 PolarHBondContact O-N 3.01Å; Q1042-Q1046 PolarHBondContact O-N 2.89Å |
| 1043 | I | 82.1 | Confident | 79 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.2 | -33.9 | 176.4 | -53.8 | 154.3 | 0 | 0 | 0 | 110.9 | I905 I1039 F1040 Q1046 L1047 G1059 I1062 K1063 | I905-I1043 HydrophobicContact CD1-CG1 3.94Å; I905-I1043 HydrophobicContact CG1-CG1 4.42Å; I1039-I1043 HydrophobicContact CG2-CD1 3.65Å; I1039-I1043 WeakPolarHBondContact O-CD1 3.18Å; I1039-I1043 VanDerWaalsContact O-CG1 3.27Å; I1039-I1043 WeakPolarHBondContact O-CG1 3.48Å; I1039-I1043 PolarHBondContact O-N 3.24Å; F1040-I1043 PolarHBondContact O-N 3.47Å; I1043-Q1046 PolarHBondContact O-N 2.8Å; I1043-L1047 HydrophobicContact CG2-CD1 3.98Å; I1043-L1047 HydrophobicContact CG2-CG 4.47Å; I1043-L1047 WeakPolarHBondContact O-CG 3.47Å; I1043-L1047 PolarHBondContact O-N 3.36Å; I1043-L1047 VanDerWaalsContact O-N 3.1Å; I1043-G1059 WeakPolarHBondContact CG2-O 3.47Å; I1043-I1062 HydrophobicContact CD1-CB 3.81Å; I1043-I1062 HydrophobicContact CD1-CG2 3.65Å; I1043-K1063 HydrophobicContact CG2-CB 3.96Å; I1043-K1063 HydrophobicContact CG2-CD 4.15Å; I1043-K1063 HydrophobicContact CG2-CG 4.5Å |
| 1044 | C | 80.5 | Confident | 78.8 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 171.2 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | F859 F1040 C1041 Q1042 L1047 T1048 K1063 F1068 | F859-C1044 HydrophobicContact CD1-CB 4.04Å; F859-C1044 HydrophobicContact CD2-CB 3.89Å; F859-C1044 HydrophobicContact CE1-CB 3.51Å; F859-C1044 HydrophobicContact CE2-CB 3.36Å; F859-C1044 HydrophobicContact CG-CB 4.2Å; F859-C1044 HydrophobicContact CZ-CB 3.14Å; F1040-C1044 WeakPolarHBondContact O-CB 3.3Å; F1040-C1044 PolarHBondContact O-N 2.72Å; F1040-C1044 PolarHBondContact O-SG 2.65Å; C1041-C1044 PolarHBondContact O-N 2.9Å; Q1042-C1044 VanDerWaalsContact C-N 3.33Å; Q1042-C1044 PolarHBondContact O-N 3.45Å; C1044-L1047 PolarHBondContact O-N 3.28Å; C1044-T1048 PolarHBondContact O-N 3.41Å; C1044-T1048 VanDerWaalsContact O-N 3.09Å; C1044-T1048 PolarHBondContact O-OG1 2.8Å; C1044-K1063 WeakPolarHBondContact SG-CE 3.35Å; C1044-K1063 PolarHBondContact SG-NZ 3.45Å; C1044-F1068 HydrophobicContact CB-CD2 3.98Å; C1044-F1068 HydrophobicContact CB-CE2 3.71Å |
| 1045 | K | 85.7 | Confident | 79.1 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 175.6 | -174.9 | 173.7 | 168.3 | 53.1 | 0 | 111.4 | T872 T874 Y875 L884 W902 C1041 Q1042 L1047 T1048 | T872-K1045 WeakPolarHBondContact O-CD 3.25Å; T872-K1045 PolarHBondContact O-NZ 2.87Å; T872-K1045 PolarHBondContact OG1-NZ 2.7Å; T872-K1045 VanDerWaalsContact OG1-NZ 3.08Å; T874-K1045 CarbonylContact C-O 3.5Å; T874-K1045 WeakPolarHBondContact O-CG 3.4Å; T874-K1045 PolarHBondContact O-NZ 3.01Å; Y875-K1045 VanDerWaalsContact CA-O 3.29Å; Y875-K1045 WeakPolarHBondContact CA-O 3.34Å; Y875-K1045 PolarHBondContact N-O 3.02Å; L884-K1045 HydrophobicContact CD1-CB 4.44Å; L884-K1045 HydrophobicContact CD1-CD 4.05Å; L884-K1045 HydrophobicContact CD2-CD 4.07Å; W902-K1045 HydrophobicContact CH2-CB 4.22Å; W902-K1045 HydrophobicContact CH2-CD 3.71Å; W902-K1045 HydrophobicContact CH2-CG 3.91Å; W902-K1045 HydrophobicContact CZ3-CB 4.23Å; W902-K1045 HydrophobicContact CZ3-CD 4.03Å; W902-K1045 HydrophobicContact CZ3-CG 4.34Å; C1041-K1045 WeakPolarHBondContact O-CB 3.34Å; C1041-K1045 PolarHBondContact O-N 2.89Å; Q1042-K1045 WeakPolarHBondContact O-CB 3.22Å; Q1042-K1045 PolarHBondContact O-N 3.01Å; K1045-L1047 VanDerWaalsContact C-N 3.33Å; K1045-L1047 PolarHBondContact O-N 3.42Å; K1045-T1048 PolarHBondContact O-N 3.2Å |
| 1046 | Q | 84.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -75.1 | -11.1 | 178.8 | -72.6 | -54.6 | 94 | 0 | 0 | 116.3 | Y875 T876 W902 I905 L906 M909 Q1042 I1043 N1050 | Y875-Q1046 VanDerWaalsContact CD2-NE2 3.31Å; Y875-Q1046 VanDerWaalsContact CE2-NE2 3.29Å; T876-Q1046 VanDerWaalsContact O-CD 3.31Å; T876-Q1046 PolarHBondContact O-NE2 2.63Å; T876-Q1046 VanDerWaalsContact O-NE2 3.1Å; T876-Q1046 PolarHBondContact O-OE1 2.78Å; W902-Q1046 HydrophobicContact CH2-CG 3.47Å; W902-Q1046 VanDerWaalsContact CH2-CG 3.47Å; W902-Q1046 HydrophobicContact CZ2-CG 4.02Å; W902-Q1046 HydrophobicContact CZ3-CG 3.88Å; I905-Q1046 HydrophobicContact CG2-CG 4.29Å; L906-Q1046 HydrophobicContact CD2-CG 4.32Å; L906-Q1046 VanDerWaalsContact CD2-NE2 3.28Å; M909-Q1046 HydrophobicContact CE-CB 3.68Å; M909-Q1046 HydrophobicContact SD-CB 3.72Å; M909-Q1046 HydrophobicContact SD-CG 4.45Å; Q1042-Q1046 PolarHBondContact O-N 2.89Å; I1043-Q1046 PolarHBondContact O-N 2.8Å; Q1046-N1050 VanDerWaalsContact O-CB 3.25Å; Q1046-N1050 WeakPolarHBondContact O-CB 3.46Å; Q1046-N1050 PolarHBondContact O-ND2 3.46Å |
| 1047 | L | 78.2 | Confident | 78 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -94.5 | -25.6 | 171.3 | -72.3 | 169.5 | 0 | 0 | 0 | 113 | M909 I1043 C1044 K1045 N1049 V1056 W1060 K1063 F1068 | M909-L1047 HydrophobicContact CE-CD2 4.34Å; I1043-L1047 HydrophobicContact CG2-CD1 3.98Å; I1043-L1047 HydrophobicContact CG2-CG 4.47Å; I1043-L1047 WeakPolarHBondContact O-CG 3.47Å; I1043-L1047 PolarHBondContact O-N 3.36Å; I1043-L1047 VanDerWaalsContact O-N 3.1Å; C1044-L1047 PolarHBondContact O-N 3.28Å; K1045-L1047 VanDerWaalsContact C-N 3.33Å; K1045-L1047 PolarHBondContact O-N 3.42Å; L1047-N1049 PolarHBondContact O-N 2.86Å; L1047-V1056 HydrophobicContact CD2-CB 4.44Å; L1047-V1056 HydrophobicContact CD2-CG1 4.12Å; L1047-V1056 WeakPolarHBondContact CD2-O 3.4Å; L1047-W1060 HydrophobicContact CD1-CD2 3.87Å; L1047-W1060 HydrophobicContact CD1-CE3 4Å; L1047-W1060 HydrophobicContact CD1-CG 4.43Å; L1047-W1060 HydrophobicContact CD1-CH2 4.25Å; L1047-W1060 HydrophobicContact CD1-CZ2 4.04Å; L1047-W1060 HydrophobicContact CD1-CZ3 4.21Å; L1047-W1060 HydrophobicContact CD2-CD2 4.33Å; L1047-W1060 HydrophobicContact CD2-CG 4.3Å; L1047-W1060 HydrophobicContact CD2-CZ2 4.5Å; L1047-K1063 HydrophobicContact CD1-CD 3.44Å; L1047-K1063 VanDerWaalsContact CD1-CD 3.44Å; L1047-F1068 HydrophobicContact CB-CE1 4.28Å; L1047-F1068 HydrophobicContact CB-CZ 4.07Å |
| 1048 | T | 78.7 | Confident | 77.4 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 112.8 | -175.4 | -55 | 0 | 0 | 0 | 0 | 110.9 | F859 G873 T874 Y875 C1044 K1045 N1050 F1068 | F859-T1048 WeakPolarHBondContact CD1-OG1 3.22Å; G873-T1048 WeakPolarHBondContact O-CB 3.21Å; G873-T1048 WeakPolarHBondContact O-CG2 3.37Å; G873-T1048 PolarHBondContact O-OG1 3.28Å; T874-T1048 HydrophobicContact CG2-CG2 4.38Å; Y875-T1048 WeakPolarHBondContact CB-O 3.13Å; Y875-T1048 PolarHBondContact N-O 2.88Å; C1044-T1048 PolarHBondContact O-N 3.41Å; C1044-T1048 VanDerWaalsContact O-N 3.09Å; C1044-T1048 PolarHBondContact O-OG1 2.8Å; K1045-T1048 PolarHBondContact O-N 3.2Å; T1048-N1050 VanDerWaalsContact C-N 3.31Å; T1048-N1050 PolarHBondContact O-N 2.85Å; T1048-F1068 WeakPolarHBondContact OG1-CE2 3.32Å; T1048-F1068 WeakPolarHBondContact OG1-CZ 3.48Å |
| 1049 | N | 77.5 | Confident | 76.4 | Confident | 129 Ų | 129 | 34.6 Ų | 34.6 | 69% | 0.69 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 36 | -178.5 | -58.1 | 8.4 | 0 | 0 | 0 | 113.9 | L1047 | L1047-N1049 PolarHBondContact O-N 2.86Š|
| 1050 | N | 75.9 | Confident | 75.7 | Confident | 15 Ų | 15 | 34.4 Ų | 34.4 | 8% | 0.08 | 20% | 0.197 | C | C | . | . | trans | -87.1 | 117.5 | 171.8 | 179 | -6.2 | 0 | 0 | 0 | 110.2 | Y875 Q1046 T1048 N1052 S1055 V1056 | Y875-N1050 HydrophobicContact CD2-CB 3.52Å; Y875-N1050 WeakPolarHBondContact CD2-ND2 3.49Å; Y875-N1050 HydrophobicContact CE2-CB 4.07Å; Y875-N1050 WeakPolarHBondContact CE2-ND2 3.43Å; Y875-N1050 WeakPolarHBondContact CE2-OD1 3.3Å; Y875-N1050 HydrophobicContact CG-CB 3.84Å; Q1046-N1050 VanDerWaalsContact O-CB 3.25Å; Q1046-N1050 WeakPolarHBondContact O-CB 3.46Å; Q1046-N1050 PolarHBondContact O-ND2 3.46Å; T1048-N1050 VanDerWaalsContact C-N 3.31Å; T1048-N1050 PolarHBondContact O-N 2.85Å; N1050-N1052 WeakPolarHBondContact OD1-CB 3.48Å; N1050-N1052 PolarHBondContact OD1-N 3.1Å; N1050-S1055 PolarHBondContact ND2-OG 2.83Å; N1050-V1056 HydrophobicContact CB-CG2 3.76Å; N1050-V1056 VanDerWaalsContact O-CG2 3.28Å; N1050-V1056 WeakPolarHBondContact O-CG2 3.36Å | ||
| 1051 | G | 74.2 | Confident | 74.7 | Confident | 80 Ų | 80 | 34.9 Ų | 34.9 | 83% | 0.825 | 20% | 0.202 | S | C | * | . | trans | -80.3 | -11.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1053 | G1051-S1053 PolarHBondContact O-N 3.12Š| ||
| 1052 | N | 75.6 | Confident | 73.4 | Confident | 50 Ų | 50 | 34.9 Ų | 34.9 | 27% | 0.267 | 20% | 0.201 | S | C | . | . | trans | -84.4 | 97.5 | -178.7 | 174.8 | -0.3 | 0 | 0 | 0 | 110.2 | N1050 K1054 S1055 V1056 | N1050-N1052 WeakPolarHBondContact OD1-CB 3.48Å; N1050-N1052 PolarHBondContact OD1-N 3.1Å; N1052-K1054 VanDerWaalsContact C-N 3.33Å; N1052-K1054 PolarHBondContact O-N 2.93Å; N1052-K1054 PolarHBondContact OD1-N 2.99Å; N1052-S1055 VanDerWaalsContact CG-CB 3.42Å; N1052-S1055 VanDerWaalsContact ND2-CB 3.28Å; N1052-S1055 WeakPolarHBondContact ND2-CB 3.47Å; N1052-S1055 CarbonylContact O-C 3.49Å; N1052-S1055 WeakPolarHBondContact O-CA 3.45Å; N1052-S1055 WeakPolarHBondContact O-CB 3.48Å; N1052-S1055 PolarHBondContact O-N 3.12Å; N1052-S1055 PolarHBondContact OD1-N 2.85Å; N1052-S1055 VanDerWaalsContact OD1-N 3.13Å; N1052-V1056 WeakPolarHBondContact O-CG2 3.39Å; N1052-V1056 PolarHBondContact O-N 3.12Å | ||
| 1053 | S | 68.9 | Low | 72 | Confident | 87 Ų | 87 | 34.9 Ų | 34.9 | 61% | 0.608 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -54.4 | -42.6 | -179.1 | -175.5 | 0 | 0 | 0 | 0 | 113.6 | G1051 S1055 V1056 M1057 | G1051-S1053 PolarHBondContact O-N 3.12Å; S1053-S1055 VanDerWaalsContact C-N 3.28Å; S1053-S1055 PolarHBondContact O-N 3.07Å; S1053-V1056 PolarHBondContact O-N 2.89Å; S1053-M1057 WeakPolarHBondContact O-CB 3.47Å; S1053-M1057 WeakPolarHBondContact O-CG 3.46Å; S1053-M1057 PolarHBondContact O-N 2.87Å |
| 1054 | K | 66.6 | Low | 70.8 | Confident | 101 Ų | 101 | 38.2 Ų | 38.2 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64 | -31.3 | 176.2 | -73.1 | -173.4 | 175.4 | -177 | 0 | 111.4 | D829 N1052 R1058 | D829-K1054 IonicContact OD1-NZ 3.95Å; D829-K1054 PolarHBondContact OD1-NZ 3.11Å; N1052-K1054 VanDerWaalsContact C-N 3.33Å; N1052-K1054 PolarHBondContact O-N 2.93Å; N1052-K1054 PolarHBondContact OD1-N 2.99Å; K1054-R1058 WeakPolarHBondContact O-CG 3.43Å |
| 1055 | S | 76.1 | Confident | 69.7 | Low | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -75.5 | -47 | 172.3 | 163.1 | 0 | 0 | 0 | 0 | 112.8 | M909 D911 N1050 N1052 S1053 M1057 R1058 G1059 | M909-S1055 WeakPolarHBondContact CE-OG 3.44Å; M909-S1055 VanDerWaalsContact O-CA 3.3Å; M909-S1055 WeakPolarHBondContact O-CA 3.24Å; M909-S1055 WeakPolarHBondContact O-CB 3.35Å; D911-S1055 PolarHBondContact OD1-OG 3.15Å; D911-S1055 PolarHBondContact OD2-OG 3.47Å; N1050-S1055 PolarHBondContact ND2-OG 2.83Å; N1052-S1055 VanDerWaalsContact CG-CB 3.42Å; N1052-S1055 VanDerWaalsContact ND2-CB 3.28Å; N1052-S1055 WeakPolarHBondContact ND2-CB 3.47Å; N1052-S1055 CarbonylContact O-C 3.49Å; N1052-S1055 WeakPolarHBondContact O-CA 3.45Å; N1052-S1055 WeakPolarHBondContact O-CB 3.48Å; N1052-S1055 PolarHBondContact O-N 3.12Å; N1052-S1055 PolarHBondContact OD1-N 2.85Å; N1052-S1055 VanDerWaalsContact OD1-N 3.13Å; S1053-S1055 VanDerWaalsContact C-N 3.28Å; S1053-S1055 PolarHBondContact O-N 3.07Å; S1055-M1057 VanDerWaalsContact C-N 3.35Å; S1055-M1057 PolarHBondContact O-N 3.21Å; S1055-R1058 WeakPolarHBondContact O-CB 3.41Å; S1055-R1058 PolarHBondContact O-N 2.72Å; S1055-G1059 PolarHBondContact O-N 2.95Å |
| 1056 | V | 70.1 | Confident | 68.6 | Low | 29 Ų | 29 | 45.9 Ų | 45.9 | 18% | 0.176 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.5 | -50.1 | 177.6 | 170.9 | 0 | 0 | 0 | 0 | 111 | L1047 N1050 N1052 S1053 R1058 G1059 W1060 | L1047-V1056 HydrophobicContact CD2-CB 4.44Å; L1047-V1056 HydrophobicContact CD2-CG1 4.12Å; L1047-V1056 WeakPolarHBondContact CD2-O 3.4Å; N1050-V1056 HydrophobicContact CB-CG2 3.76Å; N1050-V1056 VanDerWaalsContact O-CG2 3.28Å; N1050-V1056 WeakPolarHBondContact O-CG2 3.36Å; N1052-V1056 WeakPolarHBondContact O-CG2 3.39Å; N1052-V1056 PolarHBondContact O-N 3.12Å; S1053-V1056 PolarHBondContact O-N 2.89Å; V1056-R1058 PolarHBondContact O-N 3.08Å; V1056-G1059 PolarHBondContact O-N 2.91Å; V1056-G1059 VanDerWaalsContact O-N 3.13Å; V1056-W1060 PolarHBondContact O-N 3.1Å |
| 1057 | M | 65.9 | Low | 67.3 | Low | 74 Ų | 74 | 47.6 Ų | 47.6 | 37% | 0.365 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.8 | -29.7 | 179 | -70 | -61.2 | -68.7 | 0 | 0 | 113.2 | S1053 S1055 P1074 F1077 | S1053-M1057 WeakPolarHBondContact O-CB 3.47Å; S1053-M1057 WeakPolarHBondContact O-CG 3.46Å; S1053-M1057 PolarHBondContact O-N 2.87Å; S1055-M1057 VanDerWaalsContact C-N 3.35Å; S1055-M1057 PolarHBondContact O-N 3.21Å; M1057-P1074 HydrophobicContact SD-CG 4.3Å; M1057-F1077 HydrophobicContact CE-CE2 3.85Å; M1057-F1077 HydrophobicContact CE-CZ 4.42Å |
| 1058 | R | 66.8 | Low | 66.7 | Low | 66 Ų | 66 | 47.5 Ų | 47.5 | 25% | 0.249 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -74.7 | -42.3 | 172.4 | -73.7 | -177.7 | -175.1 | -171.1 | 5.1 | 112.3 | F908 K1054 S1055 V1056 W1060 L1061 | F908-R1058 HydrophobicContact CD1-CB 4.18Å; F908-R1058 HydrophobicContact CE1-CB 3.87Å; F908-R1058 HydrophobicContact CE1-CG 4.47Å; F908-R1058 VanDerWaalsContact O-CD 3.24Å; F908-R1058 WeakPolarHBondContact O-CD 3.49Å; F908-R1058 PolarHBondContact O-NH1 2.96Å; K1054-R1058 WeakPolarHBondContact O-CG 3.43Å; S1055-R1058 WeakPolarHBondContact O-CB 3.41Å; S1055-R1058 PolarHBondContact O-N 2.72Å; V1056-R1058 PolarHBondContact O-N 3.08Å; R1058-W1060 PolarHBondContact O-N 2.81Å; R1058-L1061 WeakPolarHBondContact O-CB 3.42Å; R1058-L1061 PolarHBondContact O-N 3.29Å; R1058-L1061 VanDerWaalsContact O-N 3.08Å |
| 1059 | G | 63.5 | Low | 66.2 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -31.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1043 S1055 V1056 L1061 I1062 | I1043-G1059 WeakPolarHBondContact CG2-O 3.47Å; S1055-G1059 PolarHBondContact O-N 2.95Å; V1056-G1059 PolarHBondContact O-N 2.91Å; V1056-G1059 VanDerWaalsContact O-N 3.13Å; G1059-L1061 PolarHBondContact O-N 2.74Å; G1059-I1062 PolarHBondContact O-N 3.19Å |
| 1060 | W | 66.4 | Low | 65.7 | Low | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -66.2 | -20.1 | 175.3 | -72.4 | 115 | 0 | 0 | 0 | 114.5 | L1047 V1056 R1058 I1062 K1063 F1068 I1069 Q1072 A1073 | L1047-W1060 HydrophobicContact CD1-CD2 3.87Å; L1047-W1060 HydrophobicContact CD1-CE3 4Å; L1047-W1060 HydrophobicContact CD1-CG 4.43Å; L1047-W1060 HydrophobicContact CD1-CH2 4.25Å; L1047-W1060 HydrophobicContact CD1-CZ2 4.04Å; L1047-W1060 HydrophobicContact CD1-CZ3 4.21Å; L1047-W1060 HydrophobicContact CD2-CD2 4.33Å; L1047-W1060 HydrophobicContact CD2-CG 4.3Å; L1047-W1060 HydrophobicContact CD2-CZ2 4.5Å; V1056-W1060 PolarHBondContact O-N 3.1Å; R1058-W1060 PolarHBondContact O-N 2.81Å; W1060-I1062 VanDerWaalsContact C-N 3.26Å; W1060-I1062 PolarHBondContact O-N 3.34Å; W1060-K1063 HydrophobicContact CE3-CD 4.38Å; W1060-K1063 HydrophobicContact CZ3-CD 4.09Å; W1060-F1068 AromaticContact CH2-CD1 3.56Å; W1060-F1068 HydrophobicContact CH2-CD1 3.56Å; W1060-F1068 AromaticContact CH2-CE1 3.47Å; W1060-F1068 HydrophobicContact CH2-CE1 3.47Å; W1060-F1068 VanDerWaalsContact CH2-CE1 3.47Å; W1060-F1068 HydrophobicContact CZ2-CD1 4.46Å; W1060-F1068 AromaticContact CZ2-CE1 3.95Å; W1060-F1068 HydrophobicContact CZ2-CE1 3.95Å; W1060-F1068 HydrophobicContact CZ3-CD1 4.21Å; W1060-F1068 HydrophobicContact CZ3-CE1 4.37Å; W1060-I1069 HydrophobicContact CZ3-CG1 4.39Å; W1060-Q1072 HydrophobicContact CH2-CB 4.25Å; W1060-Q1072 VanDerWaalsContact CZ2-C 3.43Å; W1060-Q1072 HydrophobicContact CZ2-CB 4.24Å; W1060-Q1072 WeakPolarHBondContact CZ2-O 3.47Å; W1060-A1073 HydrophobicContact CD2-CB 4.31Å; W1060-A1073 HydrophobicContact CE3-CB 4.01Å; W1060-A1073 VanDerWaalsContact CH2-CA 3.48Å; W1060-A1073 HydrophobicContact CH2-CB 3.63Å; W1060-A1073 VanDerWaalsContact CH2-N 3.33Å; W1060-A1073 VanDerWaalsContact CZ2-CA 3.43Å; W1060-A1073 HydrophobicContact CZ2-CB 4.03Å; W1060-A1073 HydrophobicContact CZ3-CB 3.65Å |
| 1061 | L | 61.3 | Low | 65.3 | Low | 60 Ų | 60 | 50.4 Ų | 50.4 | 31% | 0.314 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -75.1 | -7.7 | 178.9 | -62.9 | 171.5 | 0 | 0 | 0 | 114.3 | R1058 G1059 F1077 T1106 | R1058-L1061 WeakPolarHBondContact O-CB 3.42Å; R1058-L1061 PolarHBondContact O-N 3.29Å; R1058-L1061 VanDerWaalsContact O-N 3.08Å; G1059-L1061 PolarHBondContact O-N 2.74Å; L1061-F1077 HydrophobicContact CD2-CE1 4.39Å; L1061-T1106 HydrophobicContact CD2-CG2 4.07Å |
| 1062 | I | 55.9 | Low | 65 | Low | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -116 | -4.5 | -173.3 | -35.5 | -173.8 | 0 | 0 | 0 | 112.7 | F908 L1022 I1025 I1026 I1043 G1059 W1060 | F908-I1062 HydrophobicContact CD1-CD1 3.62Å; F908-I1062 HydrophobicContact CD1-CG1 4.45Å; F908-I1062 HydrophobicContact CE1-CD1 3.75Å; F908-I1062 HydrophobicContact CE1-CG1 4.1Å; F908-I1062 HydrophobicContact CG-CD1 4.09Å; F908-I1062 HydrophobicContact CZ-CD1 4.33Å; L1022-I1062 HydrophobicContact CD1-CB 4.31Å; L1022-I1062 HydrophobicContact CD1-CD1 3.86Å; L1022-I1062 HydrophobicContact CD1-CG1 3.66Å; L1022-I1062 HydrophobicContact CD1-CG2 3.98Å; I1025-I1062 HydrophobicContact CD1-CD1 4.09Å; I1025-I1062 HydrophobicContact CG2-CG2 4.19Å; I1026-I1062 HydrophobicContact CD1-CG2 4.31Å; I1026-I1062 HydrophobicContact CG1-CG2 4.17Å; I1043-I1062 HydrophobicContact CD1-CB 3.81Å; I1043-I1062 HydrophobicContact CD1-CG2 3.65Å; G1059-I1062 PolarHBondContact O-N 3.19Å; W1060-I1062 VanDerWaalsContact C-N 3.26Å; W1060-I1062 PolarHBondContact O-N 3.34Å |
| 1063 | K | 58.2 | Low | 64.4 | Low | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | trans | -114.5 | 136.5 | -156.8 | 177.3 | 170.4 | 169.2 | 164.4 | 0 | 116 | I1043 C1044 L1047 W1060 | I1043-K1063 HydrophobicContact CG2-CB 3.96Å; I1043-K1063 HydrophobicContact CG2-CD 4.15Å; I1043-K1063 HydrophobicContact CG2-CG 4.5Å; C1044-K1063 WeakPolarHBondContact SG-CE 3.35Å; C1044-K1063 PolarHBondContact SG-NZ 3.45Å; L1047-K1063 HydrophobicContact CD1-CD 3.44Å; L1047-K1063 VanDerWaalsContact CD1-CD 3.44Å; W1060-K1063 HydrophobicContact CE3-CD 4.38Å; W1060-K1063 HydrophobicContact CZ3-CD 4.09Å | ||
| 1064 | Y | 57.6 | Low | 64.3 | Low | 70 Ų | 70 | 47.3 Ų | 47.3 | 28% | 0.275 | 22% | 0.217 | S | C | . | . | trans | -132.8 | 111.1 | 166.6 | -58.8 | -74.3 | 0 | 0 | 0 | 112.4 | F1040 R1084 L1085 | F1040-Y1064 HydrophobicContact CE1-CD2 4.19Å; F1040-Y1064 HydrophobicContact CZ-CD2 4.47Å; Y1064-R1084 HydrophobicContact CE1-CB 3.79Å; Y1064-L1085 HydrophobicContact CD1-CB 4.16Å | ||
| 1065 | L | 56.3 | Low | 64.2 | Low | 72 Ų | 72 | 51.1 Ų | 51.1 | 38% | 0.377 | 23% | 0.234 | S | C | . | . | trans | -158.6 | 104.7 | 165.6 | -153.8 | 91.7 | 0 | 0 | 0 | 110.9 | C1067 F1068 I1069 | L1065-C1067 PolarHBondContact O-N 2.9Å; L1065-F1068 HydrophobicContact CB-CB 4.34Å; L1065-F1068 HydrophobicContact CD2-CB 4.38Å; L1065-F1068 WeakPolarHBondContact O-CB 3.46Å; L1065-F1068 PolarHBondContact O-N 2.75Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.38Å; L1065-I1069 PolarHBondContact O-N 3.13Å | ||
| 1066 | R | 62.7 | Low | 63.5 | Low | 95 Ų | 95 | 56.2 Ų | 56.2 | 36% | 0.358 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -46.5 | -54 | -163.2 | -155.7 | 176.4 | -170.2 | 163.3 | 9.7 | 115.4 | F1068 I1069 R1070 E1082 L1085 D1086 | R1066-F1068 VanDerWaalsContact C-N 3.34Å; R1066-F1068 PolarHBondContact O-N 3.32Å; R1066-I1069 PolarHBondContact O-N 2.9Å; R1066-R1070 PolarHBondContact O-N 3.03Å; R1066-E1082 HydrophobicContact CG-CG 4.21Å; R1066-E1082 WeakPolarHBondContact CG-OE1 3.4Å; R1066-E1082 IonicContact CZ-OE1 2.67Å; R1066-E1082 IonicContact NE-OE1 2.6Å; R1066-E1082 PolarHBondContact NE-OE1 3.3Å; R1066-E1082 IonicContact NH2-OE1 3.84Å; R1066-E1082 PolarHBondContact NH2-OE1 3.5Å; R1066-L1085 HydrophobicContact CB-CD2 3.83Å; R1066-L1085 HydrophobicContact CG-CD2 4.48Å; R1066-D1086 IonicContact CZ-OD1 3.79Å; R1066-D1086 IonicContact CZ-OD2 3.43Å; R1066-D1086 IonicContact NE-OD1 2.76Å; R1066-D1086 IonicContact NE-OD2 3.45Å; R1066-D1086 IonicContact NH1-OD1 3.73Å; R1066-D1086 PolarHBondContact NH1-OD1 3Å; R1066-D1086 IonicContact NH2-OD1 3.99Å; R1066-D1086 PolarHBondContact NH2-OD1 3.32Å; R1066-D1086 IonicContact NH2-OD2 2.66Å; R1066-D1086 PolarHBondContact NH2-OD2 2.67Å |
| 1067 | C | 56.1 | Low | 63.2 | Low | 37 Ų | 37 | 55.8 Ų | 55.8 | 25% | 0.25 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.4 | -27.5 | -176.5 | -69.3 | 0 | 0 | 0 | 0 | 114 | M854 L1065 | M854-C1067 HydrophobicContact CE-CB 4.27Å; L1065-C1067 PolarHBondContact O-N 2.9Å |
| 1068 | F | 67.4 | Low | 63.2 | Low | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.7 | -47.2 | 174 | -166.9 | -61 | 0 | 0 | 0 | 109.9 | F859 C1044 L1047 T1048 W1060 L1065 R1066 R1070 R1071 Q1072 | F859-F1068 HydrophobicContact CB-CD2 3.62Å; F859-F1068 HydrophobicContact CB-CE2 3.92Å; F859-F1068 HydrophobicContact CD1-CD2 4.09Å; F859-F1068 AromaticContact CD1-CE2 3.61Å; F859-F1068 HydrophobicContact CD1-CE2 3.61Å; F859-F1068 HydrophobicContact CD2-CD2 4.28Å; F859-F1068 HydrophobicContact CE1-CE2 4.26Å; F859-F1068 AromaticContact CG-CD2 3.73Å; F859-F1068 HydrophobicContact CG-CD2 3.73Å; F859-F1068 AromaticContact CG-CE2 3.76Å; F859-F1068 HydrophobicContact CG-CE2 3.76Å; C1044-F1068 HydrophobicContact CB-CD2 3.98Å; C1044-F1068 HydrophobicContact CB-CE2 3.71Å; L1047-F1068 HydrophobicContact CB-CE1 4.28Å; L1047-F1068 HydrophobicContact CB-CZ 4.07Å; T1048-F1068 WeakPolarHBondContact OG1-CE2 3.32Å; T1048-F1068 WeakPolarHBondContact OG1-CZ 3.48Å; W1060-F1068 AromaticContact CH2-CD1 3.56Å; W1060-F1068 HydrophobicContact CH2-CD1 3.56Å; W1060-F1068 AromaticContact CH2-CE1 3.47Å; W1060-F1068 HydrophobicContact CH2-CE1 3.47Å; W1060-F1068 VanDerWaalsContact CH2-CE1 3.47Å; W1060-F1068 HydrophobicContact CZ2-CD1 4.46Å; W1060-F1068 AromaticContact CZ2-CE1 3.95Å; W1060-F1068 HydrophobicContact CZ2-CE1 3.95Å; W1060-F1068 HydrophobicContact CZ3-CD1 4.21Å; W1060-F1068 HydrophobicContact CZ3-CE1 4.37Å; L1065-F1068 HydrophobicContact CB-CB 4.34Å; L1065-F1068 HydrophobicContact CD2-CB 4.38Å; L1065-F1068 WeakPolarHBondContact O-CB 3.46Å; L1065-F1068 PolarHBondContact O-N 2.75Å; R1066-F1068 VanDerWaalsContact C-N 3.34Å; R1066-F1068 PolarHBondContact O-N 3.32Å; F1068-R1070 PolarHBondContact O-N 3.38Å; F1068-R1071 PolarHBondContact O-N 3.16Å; F1068-R1071 VanDerWaalsContact O-N 3.07Å; F1068-Q1072 HydrophobicContact CD1-CB 3.9Å; F1068-Q1072 HydrophobicContact CE1-CB 3.53Å; F1068-Q1072 HydrophobicContact CE1-CG 4.15Å; F1068-Q1072 VanDerWaalsContact CE1-OE1 3.25Å; F1068-Q1072 HydrophobicContact CZ-CB 4.31Å; F1068-Q1072 PolarHBondContact O-N 3.47Å |
| 1069 | I | 68.3 | Low | 63.3 | Low | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -52.7 | -56.3 | -179.1 | -68.5 | 165 | 0 | 0 | 0 | 110.1 | W1060 L1065 R1066 R1071 A1073 A1078 C1081 | W1060-I1069 HydrophobicContact CZ3-CG1 4.39Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.38Å; L1065-I1069 PolarHBondContact O-N 3.13Å; R1066-I1069 PolarHBondContact O-N 2.9Å; I1069-R1071 PolarHBondContact O-N 3.26Å; I1069-A1073 HydrophobicContact CG2-CB 4.34Å; I1069-A1073 WeakPolarHBondContact O-CB 3.25Å; I1069-A1073 PolarHBondContact O-N 2.88Å; I1069-A1073 VanDerWaalsContact O-N 3.13Å; I1069-A1078 HydrophobicContact CG2-CB 4.26Å; I1069-A1078 WeakPolarHBondContact CG2-O 3.36Å; I1069-C1081 HydrophobicContact CD1-CB 3.81Å; I1069-C1081 HydrophobicContact CG1-CB 4.22Å; I1069-C1081 HydrophobicContact CG2-CB 3.91Å |
| 1070 | R | 66.6 | Low | 63.5 | Low | 107 Ų | 107 | 56.1 Ų | 56.1 | 40% | 0.404 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.1 | -16.6 | 179.2 | -73.9 | -173.1 | 177.7 | -161.6 | -1.7 | 115.5 | M854 R1066 F1068 E1082 | M854-R1070 HydrophobicContact CE-CB 3.54Å; M854-R1070 HydrophobicContact CE-CG 4.24Å; R1066-R1070 PolarHBondContact O-N 3.03Å; F1068-R1070 PolarHBondContact O-N 3.38Å; R1070-E1082 VanDerWaalsContact CG-OE2 3.24Å; R1070-E1082 WeakPolarHBondContact CG-OE2 3.45Å; R1070-E1082 IonicContact CZ-OE1 3.95Å; R1070-E1082 IonicContact CZ-OE2 3.96Å; R1070-E1082 VanDerWaalsContact NE-CD 3.25Å; R1070-E1082 IonicContact NE-OE1 2.73Å; R1070-E1082 PolarHBondContact NE-OE1 3.37Å; R1070-E1082 IonicContact NE-OE2 2.7Å; R1070-E1082 PolarHBondContact NE-OE2 2.98Å; R1070-E1082 IonicContact NH2-OE1 2.72Å; R1070-E1082 PolarHBondContact NH2-OE1 2.92Å; R1070-E1082 IonicContact NH2-OE2 3.84Å |
| 1071 | R | 67.6 | Low | 63.6 | Low | 109 Ų | 109 | 56.1 Ų | 56.1 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -115.5 | -25.2 | -173.7 | -82.7 | -166.3 | 161.8 | -150.3 | -1 | 116.2 | M854 N855 F1068 I1069 | M854-R1071 VanDerWaalsContact C-CZ 3.5Å; M854-R1071 VanDerWaalsContact CB-NE 3.33Å; M854-R1071 HydrophobicContact CE-CG 4.14Å; M854-R1071 PolarHBondContact O-NE 3.02Å; N855-R1071 PolarHBondContact ND2-NH2 3.28Å; N855-R1071 PolarHBondContact OD1-NH1 3.23Å; N855-R1071 PolarHBondContact OD1-NH2 2.9Å; F1068-R1071 PolarHBondContact O-N 3.16Å; F1068-R1071 VanDerWaalsContact O-N 3.07Å; I1069-R1071 PolarHBondContact O-N 3.26Å |
| 1072 | Q | 67.3 | Low | 64.1 | Low | 86 Ų | 86 | 54.3 Ų | 54.3 | 40% | 0.402 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -128.9 | -9.8 | -175.6 | -66.2 | -169 | 8.9 | 0 | 0 | 114.1 | W1060 F1068 | W1060-Q1072 HydrophobicContact CH2-CB 4.25Å; W1060-Q1072 VanDerWaalsContact CZ2-C 3.43Å; W1060-Q1072 HydrophobicContact CZ2-CB 4.24Å; W1060-Q1072 WeakPolarHBondContact CZ2-O 3.47Å; F1068-Q1072 HydrophobicContact CD1-CB 3.9Å; F1068-Q1072 HydrophobicContact CE1-CB 3.53Å; F1068-Q1072 HydrophobicContact CE1-CG 4.15Å; F1068-Q1072 VanDerWaalsContact CE1-OE1 3.25Å; F1068-Q1072 HydrophobicContact CZ-CB 4.31Å; F1068-Q1072 PolarHBondContact O-N 3.47Å |
| 1073 | A | 63.7 | Low | 64.9 | Low | 16 Ų | 16 | 59.7 Ų | 59.7 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -72.7 | 149.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | W1060 I1069 F1077 A1078 | W1060-A1073 HydrophobicContact CD2-CB 4.31Å; W1060-A1073 HydrophobicContact CE3-CB 4.01Å; W1060-A1073 VanDerWaalsContact CH2-CA 3.48Å; W1060-A1073 HydrophobicContact CH2-CB 3.63Å; W1060-A1073 VanDerWaalsContact CH2-N 3.33Å; W1060-A1073 VanDerWaalsContact CZ2-CA 3.43Å; W1060-A1073 HydrophobicContact CZ2-CB 4.03Å; W1060-A1073 HydrophobicContact CZ3-CB 3.65Å; I1069-A1073 HydrophobicContact CG2-CB 4.34Å; I1069-A1073 WeakPolarHBondContact O-CB 3.25Å; I1069-A1073 PolarHBondContact O-N 2.88Å; I1069-A1073 VanDerWaalsContact O-N 3.13Å; A1073-F1077 HydrophobicContact CB-CB 4.46Å; A1073-A1078 HydrophobicContact CB-CB 3.96Å |
| 1074 | P | 65.6 | Low | 65.7 | Low | 49 Ų | 49 | 60.6 Ų | 60.6 | 32% | 0.318 | 29% | 0.286 | S | S | . | . | trans | -51.5 | 140.2 | 160.4 | -22.6 | 33 | 0 | 0 | 0 | 109.9 | M1057 D1076 F1077 A1078 | M1057-P1074 HydrophobicContact SD-CG 4.3Å; P1074-D1076 VanDerWaalsContact C-N 3.26Å; P1074-D1076 PolarHBondContact O-N 2.83Å; P1074-D1076 VanDerWaalsContact O-N 3.11Å; P1074-F1077 HydrophobicContact CB-CD2 4.43Å; P1074-F1077 WeakPolarHBondContact O-CA 3.24Å; P1074-F1077 PolarHBondContact O-N 3.19Å; P1074-A1078 PolarHBondContact O-N 3.31Å | ||
| 1075 | K | 64.7 | Low | 66.4 | Low | 182 Ų | 182 | 58.6 Ų | 58.6 | 79% | 0.791 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -48.9 | -45.8 | -170.6 | -69.9 | -177 | 177.5 | 179.4 | 0 | 112.9 | F1077 A1078 | K1075-F1077 VanDerWaalsContact C-N 3.35Å; K1075-F1077 PolarHBondContact O-N 3.42Å; K1075-A1078 WeakPolarHBondContact O-CB 3.1Å; K1075-A1078 PolarHBondContact O-N 3.08Å |
| 1076 | D | 61.9 | Low | 67.4 | Low | 106 Ų | 106 | 57.2 Ų | 57.2 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63 | -38.3 | -179.2 | -33 | -16.9 | 0 | 0 | 0 | 112.5 | P1074 R1109 | P1074-D1076 VanDerWaalsContact C-N 3.26Å; P1074-D1076 PolarHBondContact O-N 2.83Å; P1074-D1076 VanDerWaalsContact O-N 3.11Å; D1076-R1109 IonicContact OD2-CZ 3.71Å; D1076-R1109 IonicContact OD2-NH1 2.78Å; D1076-R1109 PolarHBondContact OD2-NH1 3.15Å |
| 1077 | F | 63 | Low | 68.4 | Low | 20 Ų | 20 | 55.2 Ų | 55.2 | 9% | 0.088 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -77.8 | -28.2 | 176.9 | -85.8 | -89.7 | 0 | 0 | 0 | 112.1 | M1057 L1061 A1073 P1074 K1075 V1079 Y1080 C1081 | M1057-F1077 HydrophobicContact CE-CE2 3.85Å; M1057-F1077 HydrophobicContact CE-CZ 4.42Å; L1061-F1077 HydrophobicContact CD2-CE1 4.39Å; A1073-F1077 HydrophobicContact CB-CB 4.46Å; P1074-F1077 HydrophobicContact CB-CD2 4.43Å; P1074-F1077 WeakPolarHBondContact O-CA 3.24Å; P1074-F1077 PolarHBondContact O-N 3.19Å; K1075-F1077 VanDerWaalsContact C-N 3.35Å; K1075-F1077 PolarHBondContact O-N 3.42Å; F1077-V1079 PolarHBondContact O-N 3.47Å; F1077-Y1080 PolarHBondContact O-N 3.33Å; F1077-C1081 WeakPolarHBondContact O-CB 3.26Å; F1077-C1081 PolarHBondContact O-N 2.81Å; F1077-C1081 PolarHBondContact O-SG 2.84Å; F1077-C1081 VanDerWaalsContact O-SG 3.42Å |
| 1078 | A | 65.5 | Low | 69.4 | Low | 14 Ų | 14 | 55.5 Ų | 55.5 | 12% | 0.116 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.9 | -51 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1069 A1073 P1074 K1075 E1082 | I1069-A1078 HydrophobicContact CG2-CB 4.26Å; I1069-A1078 WeakPolarHBondContact CG2-O 3.36Å; A1073-A1078 HydrophobicContact CB-CB 3.96Å; P1074-A1078 PolarHBondContact O-N 3.31Å; K1075-A1078 WeakPolarHBondContact O-CB 3.1Å; K1075-A1078 PolarHBondContact O-N 3.08Å; A1078-E1082 WeakPolarHBondContact O-CB 3.12Å; A1078-E1082 PolarHBondContact O-N 3.44Å |
| 1079 | V | 69.9 | Low | 69.7 | Low | 87 Ų | 87 | 61.8 Ų | 61.8 | 53% | 0.527 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.5 | -43.9 | -180 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | F1077 E1082 Q1083 | F1077-V1079 PolarHBondContact O-N 3.47Å; V1079-E1082 PolarHBondContact O-N 2.78Å; V1079-Q1083 HydrophobicContact CG1-CG 4.43Å; V1079-Q1083 WeakPolarHBondContact O-CG 3Å; V1079-Q1083 PolarHBondContact O-N 2.96Å |
| 1080 | Y | 67.5 | Low | 70.2 | Confident | 47 Ų | 47 | 68.1 Ų | 68.1 | 18% | 0.184 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.6 | -50.2 | -179 | -175.9 | -90.8 | 0 | 0 | 0 | 112.6 | F1077 E1082 R1084 T1106 | F1077-Y1080 PolarHBondContact O-N 3.33Å; Y1080-E1082 VanDerWaalsContact C-N 3.31Å; Y1080-E1082 PolarHBondContact O-N 2.92Å; Y1080-R1084 HydrophobicContact CD1-CG 4.35Å; Y1080-R1084 HydrophobicContact CE1-CG 4.14Å; Y1080-R1084 WeakPolarHBondContact O-CG 2.82Å; Y1080-R1084 PolarHBondContact O-N 2.92Å; Y1080-R1084 PolarHBondContact OH-NH1 2.77Å; Y1080-T1106 HydrophobicContact CE1-CG2 4.22Å |
| 1081 | C | 68.2 | Low | 70.9 | Confident | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.6 | -28.8 | -179.7 | -67.9 | 0 | 0 | 0 | 0 | 112.6 | I1069 F1077 L1085 | I1069-C1081 HydrophobicContact CD1-CB 3.81Å; I1069-C1081 HydrophobicContact CG1-CB 4.22Å; I1069-C1081 HydrophobicContact CG2-CB 3.91Å; F1077-C1081 WeakPolarHBondContact O-CB 3.26Å; F1077-C1081 PolarHBondContact O-N 2.81Å; F1077-C1081 PolarHBondContact O-SG 2.84Å; F1077-C1081 VanDerWaalsContact O-SG 3.42Å; C1081-L1085 WeakPolarHBondContact O-CB 3.42Å; C1081-L1085 PolarHBondContact O-N 3.33Å |
| 1082 | E | 72.2 | Confident | 71.3 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.7 | -49.2 | 174.5 | 177.8 | 161.3 | -160.9 | 0 | 0 | 112.3 | R1066 R1070 A1078 V1079 Y1080 R1084 L1085 D1086 | R1066-E1082 HydrophobicContact CG-CG 4.21Å; R1066-E1082 WeakPolarHBondContact CG-OE1 3.4Å; R1066-E1082 IonicContact CZ-OE1 2.67Å; R1066-E1082 IonicContact NE-OE1 2.6Å; R1066-E1082 PolarHBondContact NE-OE1 3.3Å; R1066-E1082 IonicContact NH2-OE1 3.84Å; R1066-E1082 PolarHBondContact NH2-OE1 3.5Å; R1070-E1082 VanDerWaalsContact CG-OE2 3.24Å; R1070-E1082 WeakPolarHBondContact CG-OE2 3.45Å; R1070-E1082 IonicContact CZ-OE1 3.95Å; R1070-E1082 IonicContact CZ-OE2 3.96Å; R1070-E1082 VanDerWaalsContact NE-CD 3.25Å; R1070-E1082 IonicContact NE-OE1 2.73Å; R1070-E1082 PolarHBondContact NE-OE1 3.37Å; R1070-E1082 IonicContact NE-OE2 2.7Å; R1070-E1082 PolarHBondContact NE-OE2 2.98Å; R1070-E1082 IonicContact NH2-OE1 2.72Å; R1070-E1082 PolarHBondContact NH2-OE1 2.92Å; R1070-E1082 IonicContact NH2-OE2 3.84Å; A1078-E1082 WeakPolarHBondContact O-CB 3.12Å; A1078-E1082 PolarHBondContact O-N 3.44Å; V1079-E1082 PolarHBondContact O-N 2.78Å; Y1080-E1082 VanDerWaalsContact C-N 3.31Å; Y1080-E1082 PolarHBondContact O-N 2.92Å; E1082-R1084 VanDerWaalsContact C-N 3.26Å; E1082-R1084 PolarHBondContact O-N 3.37Å; E1082-L1085 WeakPolarHBondContact O-CB 3.35Å; E1082-L1085 PolarHBondContact O-N 3.34Å; E1082-D1086 PolarHBondContact O-N 2.97Å |
| 1083 | Q | 73.1 | Confident | 71.8 | Confident | 121 Ų | 121 | 60.4 Ų | 60.4 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -56.3 | -41.4 | 177 | -72.7 | 175.2 | -10.5 | 0 | 0 | 111.7 | V1079 D1086 R1087 | V1079-Q1083 HydrophobicContact CG1-CG 4.43Å; V1079-Q1083 WeakPolarHBondContact O-CG 3Å; V1079-Q1083 PolarHBondContact O-N 2.96Å; Q1083-D1086 PolarHBondContact O-N 3.41Å; Q1083-R1087 WeakPolarHBondContact O-CB 3.3Å; Q1083-R1087 WeakPolarHBondContact O-CG 3.5Å; Q1083-R1087 PolarHBondContact O-N 2.96Å; Q1083-R1087 VanDerWaalsContact O-N 3.08Å |
| 1084 | R | 73.7 | Confident | 72.6 | Confident | 20 Ų | 20 | 61.2 Ų | 61.2 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 176.2 | -68.1 | -76.8 | 160.4 | 135.1 | -5.9 | 112.8 | Y1064 Y1080 E1082 T1088 S1130 | Y1064-R1084 HydrophobicContact CE1-CB 3.79Å; Y1080-R1084 HydrophobicContact CD1-CG 4.35Å; Y1080-R1084 HydrophobicContact CE1-CG 4.14Å; Y1080-R1084 WeakPolarHBondContact O-CG 2.82Å; Y1080-R1084 PolarHBondContact O-N 2.92Å; Y1080-R1084 PolarHBondContact OH-NH1 2.77Å; E1082-R1084 VanDerWaalsContact C-N 3.26Å; E1082-R1084 PolarHBondContact O-N 3.37Å; R1084-T1088 WeakPolarHBondContact O-CB 3.24Å; R1084-T1088 PolarHBondContact O-N 2.92Å; R1084-T1088 PolarHBondContact O-OG1 3Å; R1084-S1130 VanDerWaalsContact NH1-N 3.16Å; R1084-S1130 PolarHBondContact NH1-OG 2.81Å |
| 1085 | L | 73.7 | Confident | 73.1 | Confident | 28 Ų | 28 | 62 Ų | 62 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.8 | -48 | 175.2 | 173.8 | 56.1 | 0 | 0 | 0 | 111.6 | Y1064 R1066 C1081 E1082 R1087 T1088 M1089 | Y1064-L1085 HydrophobicContact CD1-CB 4.16Å; R1066-L1085 HydrophobicContact CB-CD2 3.83Å; R1066-L1085 HydrophobicContact CG-CD2 4.48Å; C1081-L1085 WeakPolarHBondContact O-CB 3.42Å; C1081-L1085 PolarHBondContact O-N 3.33Å; E1082-L1085 WeakPolarHBondContact O-CB 3.35Å; E1082-L1085 PolarHBondContact O-N 3.34Å; L1085-R1087 VanDerWaalsContact C-N 3.28Å; L1085-R1087 PolarHBondContact O-N 2.86Å; L1085-T1088 PolarHBondContact O-N 3.5Å; L1085-T1088 VanDerWaalsContact O-N 3.15Å; L1085-M1089 HydrophobicContact CD1-CG 4.09Å; L1085-M1089 HydrophobicContact CD1-SD 4.25Å; L1085-M1089 HydrophobicContact CG-SD 4.43Å; L1085-M1089 WeakPolarHBondContact O-CG 3.34Å; L1085-M1089 PolarHBondContact O-N 3.07Å |
| 1086 | D | 76.4 | Confident | 73.7 | Confident | 43 Ų | 43 | 54.5 Ų | 54.5 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60 | -39.7 | 178.6 | -76.4 | -37.3 | 0 | 0 | 0 | 111.6 | R1066 E1082 Q1083 M1089 Q1090 | R1066-D1086 IonicContact CZ-OD1 3.79Å; R1066-D1086 IonicContact CZ-OD2 3.43Å; R1066-D1086 IonicContact NE-OD1 2.76Å; R1066-D1086 IonicContact NE-OD2 3.45Å; R1066-D1086 IonicContact NH1-OD1 3.73Å; R1066-D1086 PolarHBondContact NH1-OD1 3Å; R1066-D1086 IonicContact NH2-OD1 3.99Å; R1066-D1086 PolarHBondContact NH2-OD1 3.32Å; R1066-D1086 IonicContact NH2-OD2 2.66Å; R1066-D1086 PolarHBondContact NH2-OD2 2.67Å; E1082-D1086 PolarHBondContact O-N 2.97Å; Q1083-D1086 PolarHBondContact O-N 3.41Å; D1086-M1089 PolarHBondContact O-N 3.48Å; D1086-Q1090 WeakPolarHBondContact O-CG 3.35Å; D1086-Q1090 PolarHBondContact O-N 2.86Å; D1086-Q1090 VanDerWaalsContact O-N 3.1Å |
| 1087 | R | 83.6 | Confident | 74.4 | Confident | 52 Ų | 52 | 49.5 Ų | 49.5 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 173.8 | -70.6 | -76.7 | -66 | 142.9 | 6.5 | 113.1 | Q1083 L1085 M1089 Q1090 N1091 D1129 A1131 E1136 | Q1083-R1087 WeakPolarHBondContact O-CB 3.3Å; Q1083-R1087 WeakPolarHBondContact O-CG 3.5Å; Q1083-R1087 PolarHBondContact O-N 2.96Å; Q1083-R1087 VanDerWaalsContact O-N 3.08Å; L1085-R1087 VanDerWaalsContact C-N 3.28Å; L1085-R1087 PolarHBondContact O-N 2.86Å; R1087-M1089 VanDerWaalsContact C-N 3.29Å; R1087-M1089 PolarHBondContact O-N 3.14Å; R1087-Q1090 PolarHBondContact O-N 2.98Å; R1087-N1091 PolarHBondContact NH1-ND2 3.25Å; R1087-N1091 PolarHBondContact NH2-ND2 2.91Å; R1087-N1091 PolarHBondContact O-N 2.63Å; R1087-D1129 IonicContact CZ-OD1 2.74Å; R1087-D1129 IonicContact CZ-OD2 2.7Å; R1087-D1129 IonicContact NE-OD1 3.32Å; R1087-D1129 IonicContact NE-OD2 3.05Å; R1087-D1129 PolarHBondContact NE-OD2 2.75Å; R1087-D1129 IonicContact NH2-OD1 2.78Å; R1087-D1129 PolarHBondContact NH2-OD1 3.18Å; R1087-D1129 IonicContact NH2-OD2 2.81Å; R1087-D1129 PolarHBondContact NH2-OD2 3.24Å; R1087-A1131 HydrophobicContact CB-CB 4.05Å; R1087-E1136 IonicContact CZ-OE1 2.74Å; R1087-E1136 IonicContact CZ-OE2 3.14Å; R1087-E1136 IonicContact NH1-OE1 3.45Å; R1087-E1136 PolarHBondContact NH1-OE1 3.32Å; R1087-E1136 IonicContact NH1-OE2 2.71Å; R1087-E1136 IonicContact NH2-OE1 4Å; R1087-E1136 PolarHBondContact NH2-OE1 3.39Å; R1087-E1136 IonicContact NH2-OE2 3.26Å; R1087-E1136 PolarHBondContact NH2-OE2 3.44Å |
| 1088 | T | 77.2 | Confident | 75.2 | Confident | 44 Ų | 44 | 49.7 Ų | 49.7 | 27% | 0.27 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.7 | -28.4 | 174.4 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | R1084 L1085 G1092 | R1084-T1088 WeakPolarHBondContact O-CB 3.24Å; R1084-T1088 PolarHBondContact O-N 2.92Å; R1084-T1088 PolarHBondContact O-OG1 3Å; L1085-T1088 PolarHBondContact O-N 3.5Å; L1085-T1088 VanDerWaalsContact O-N 3.15Å; T1088-G1092 CarbonylContact O-C 3.57Å; T1088-G1092 VanDerWaalsContact O-CA 3.22Å; T1088-G1092 WeakPolarHBondContact O-CA 3.22Å; T1088-G1092 PolarHBondContact O-N 3.2Å |
| 1089 | M | 74.8 | Confident | 75.8 | Confident | 139 Ų | 139 | 49 Ų | 49 | 69% | 0.685 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -74.8 | -26.9 | 172.7 | -72.5 | -174 | 66.6 | 0 | 0 | 113 | L1085 D1086 R1087 | L1085-M1089 HydrophobicContact CD1-CG 4.09Å; L1085-M1089 HydrophobicContact CD1-SD 4.25Å; L1085-M1089 HydrophobicContact CG-SD 4.43Å; L1085-M1089 WeakPolarHBondContact O-CG 3.34Å; L1085-M1089 PolarHBondContact O-N 3.07Å; D1086-M1089 PolarHBondContact O-N 3.48Å; R1087-M1089 VanDerWaalsContact C-N 3.29Å; R1087-M1089 PolarHBondContact O-N 3.14Å |
| 1090 | Q | 78.9 | Confident | 76.2 | Confident | 133 Ų | 133 | 47.9 Ų | 47.9 | 62% | 0.621 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -76.9 | -52.1 | 174.2 | -70.5 | 166.5 | -2 | 0 | 0 | 111.8 | D1086 R1087 | D1086-Q1090 WeakPolarHBondContact O-CG 3.35Å; D1086-Q1090 PolarHBondContact O-N 2.86Å; D1086-Q1090 VanDerWaalsContact O-N 3.1Å; R1087-Q1090 PolarHBondContact O-N 2.98Å |
| 1091 | N | 80.4 | Confident | 76.7 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 21% | 0.214 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -95.1 | -8.9 | -170.6 | -66.7 | -3.1 | 0 | 0 | 0 | 113.9 | R1087 A1131 T1133 E1136 | R1087-N1091 PolarHBondContact NH1-ND2 3.25Å; R1087-N1091 PolarHBondContact NH2-ND2 2.91Å; R1087-N1091 PolarHBondContact O-N 2.63Å; N1091-A1131 HydrophobicContact CB-CB 4.44Å; N1091-A1131 PolarHBondContact ND2-O 2.88Å; N1091-T1133 HydrophobicContact CB-CG2 3.93Å; N1091-E1136 PolarHBondContact ND2-OE1 2.9Å; N1091-E1136 PolarHBondContact ND2-OE2 3.46Å; N1091-E1136 PolarHBondContact OD1-OE1 2.88Å |
| 1092 | G | 76.7 | Confident | 77.2 | Confident | 22 Ų | 22 | 49.8 Ų | 49.8 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | trans | 90.6 | 179.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | T1088 | T1088-G1092 CarbonylContact O-C 3.57Å; T1088-G1092 VanDerWaalsContact O-CA 3.22Å; T1088-G1092 WeakPolarHBondContact O-CA 3.22Å; T1088-G1092 PolarHBondContact O-N 3.2Å | ||
| 1093 | P | 76.2 | Confident | 77.2 | Confident | 77 Ų | 77 | 50.6 Ų | 50.6 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | trans | -78.8 | 140.7 | -176.8 | 32.1 | -34.6 | 0 | 0 | 0 | 112.1 | R1036 | R1036-P1093 VanDerWaalsContact NH1-CB 3.34Š| ||
| 1094 | R | 81.3 | Confident | 77.2 | Confident | 33 Ų | 33 | 47 Ų | 47 | 13% | 0.125 | 24% | 0.241 | C | C | . | . | trans | -58.7 | 146.1 | 168.7 | -68.9 | -79.2 | -68.3 | -70.4 | -13.4 | 112 | E1102 S1130 L1174 D1175 | R1094-E1102 IonicContact CZ-OE1 3.74Å; R1094-E1102 IonicContact CZ-OE2 3.12Å; R1094-E1102 VanDerWaalsContact NH1-CD 3.3Å; R1094-E1102 IonicContact NH1-OE1 2.88Å; R1094-E1102 PolarHBondContact NH1-OE1 2.81Å; R1094-E1102 IonicContact NH1-OE2 3.74Å; R1094-E1102 PolarHBondContact NH1-OE2 2.8Å; R1094-E1102 IonicContact NH2-OE2 2.83Å; R1094-E1102 PolarHBondContact NH2-OE2 2.99Å; R1094-S1130 VanDerWaalsContact CD-O 3.31Å; R1094-S1130 WeakPolarHBondContact CD-O 3.31Å; R1094-S1130 PolarHBondContact NH1-O 2.87Å; R1094-L1174 VanDerWaalsContact CZ-CB 3.45Å; R1094-L1174 PolarHBondContact NH2-O 2.83Å; R1094-D1175 WeakPolarHBondContact CD-OD1 3.46Å; R1094-D1175 IonicContact CZ-OD1 3.59Å; R1094-D1175 IonicContact NE-OD1 2.78Å; R1094-D1175 PolarHBondContact NE-OD1 2.9Å; R1094-D1175 IonicContact NH2-OD1 3.52Å | ||
| 1095 | S | 76.7 | Confident | 77.2 | Confident | 67 Ų | 67 | 46.6 Ų | 46.6 | 47% | 0.469 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -99.3 | -13.2 | 179.2 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | I1030 D1175 | I1030-S1095 WeakPolarHBondContact CG2-O 3.44Å; S1095-D1175 WeakPolarHBondContact CA-OD2 3.48Å; S1095-D1175 WeakPolarHBondContact CB-OD2 3.26Å; S1095-D1175 PolarHBondContact N-OD1 2.98Å; S1095-D1175 PolarHBondContact N-OD2 3.17Å; S1095-D1175 VanDerWaalsContact OG-CG 3.23Å; S1095-D1175 PolarHBondContact OG-OD2 3.43Å |
| 1096 | Q | 77.8 | Confident | 77 | Confident | 24 Ų | 24 | 46.3 Ų | 46.3 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -124.1 | 151.4 | 175 | -64.5 | -73.7 | -14.8 | 0 | 0 | 110.6 | I1030 D1175 Q1179 | I1030-Q1096 WeakPolarHBondContact CD1-O 3.32Å; Q1096-D1175 HydrophobicContact CB-CB 4.11Å; Q1096-D1175 WeakPolarHBondContact CB-OD1 3.11Å; Q1096-D1175 HydrophobicContact CG-CB 3.98Å; Q1096-D1175 PolarHBondContact N-OD1 2.85Å; Q1096-Q1179 HydrophobicContact CG-CG 3.88Å |
| 1097 | P | 75.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 160.9 | 176.3 | 31.7 | -36.8 | 0 | 0 | 0 | 111 | M935 I1026 I1030 S1178 | M935-P1097 HydrophobicContact CG-CG 4.21Å; M935-P1097 HydrophobicContact SD-CG 4.33Å; I1026-P1097 HydrophobicContact CG2-CB 4.41Å; I1030-P1097 HydrophobicContact CD1-CB 4.37Å; P1097-S1178 WeakPolarHBondContact O-CB 3.37Å; P1097-S1178 PolarHBondContact O-OG 2.73Å |
| 1098 | P | 79 | Confident | 75.7 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 16% | 0.162 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 142.4 | -173.1 | -28.3 | 35.7 | 0 | 0 | 0 | 114 | H1023 I1026 E1102 L1103 | H1023-P1098 PolarHBondContact NE2-O 3.39Å; I1026-P1098 HydrophobicContact CD1-CG 3.68Å; P1098-E1102 WeakPolarHBondContact CA-OE2 3.31Å; P1098-E1102 HydrophobicContact CB-CG 4.31Å; P1098-L1103 HydrophobicContact CB-CG 4.4Å |
| 1099 | S | 79.6 | Confident | 75 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 159.4 | 177.6 | 117.8 | 0 | 0 | 0 | 0 | 111.5 | Y1101 E1102 L1103 E1181 | S1099-Y1101 VanDerWaalsContact C-N 3.32Å; S1099-Y1101 WeakPolarHBondContact OG-CB 3.46Å; S1099-Y1101 PolarHBondContact OG-N 2.75Å; S1099-E1102 PolarHBondContact N-OE2 3.48Å; S1099-E1102 WeakPolarHBondContact O-CB 3.42Å; S1099-E1102 PolarHBondContact O-N 3.34Å; S1099-E1102 PolarHBondContact OG-N 2.92Å; S1099-E1102 VanDerWaalsContact OG-N 3.11Å; S1099-L1103 WeakPolarHBondContact O-CB 3.39Å; S1099-L1103 WeakPolarHBondContact O-CG 3.25Å; S1099-L1103 PolarHBondContact O-N 3.09Å; S1099-E1181 VanDerWaalsContact CA-OE2 3.25Å; S1099-E1181 WeakPolarHBondContact CA-OE2 3.47Å; S1099-E1181 VanDerWaalsContact CB-CD 3.48Å; S1099-E1181 VanDerWaalsContact CB-OE1 3.26Å; S1099-E1181 WeakPolarHBondContact CB-OE1 3.36Å; S1099-E1181 WeakPolarHBondContact CB-OE2 3.24Å; S1099-E1181 PolarHBondContact OG-OE1 2.81Å; S1099-E1181 PolarHBondContact OG-OE2 2.89Å |
| 1100 | Y | 76.6 | Confident | 74.6 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 24% | 0.243 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.1 | -40.5 | 168.8 | -177.1 | -127.3 | 0 | 0 | 0 | 111.7 | L1103 Q1104 E1181 E1192 | Y1100-L1103 PolarHBondContact O-N 2.79Å; Y1100-Q1104 HydrophobicContact CD2-CG 4.18Å; Y1100-Q1104 HydrophobicContact CE1-CG 4.32Å; Y1100-Q1104 HydrophobicContact CE2-CG 3.87Å; Y1100-Q1104 VanDerWaalsContact CZ-NE2 3.33Å; Y1100-Q1104 WeakPolarHBondContact O-CB 3.06Å; Y1100-Q1104 WeakPolarHBondContact O-CG 3.2Å; Y1100-Q1104 PolarHBondContact O-N 3.4Å; Y1100-Q1104 PolarHBondContact OH-NE2 3.22Å; Y1100-E1181 WeakPolarHBondContact CB-OE2 3.34Å; Y1100-E1181 PolarHBondContact N-OE1 3Å; Y1100-E1181 PolarHBondContact N-OE2 2.83Å; Y1100-E1192 HydrophobicContact CE1-CB 4.2Å; Y1100-E1192 PolarHBondContact OH-OE2 2.85Å |
| 1101 | Y | 78.9 | Confident | 74.1 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 33% | 0.333 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | 171.9 | -163.1 | -104 | 0 | 0 | 0 | 112 | S1099 L1103 Q1104 A1105 L1112 I1113 L1114 E1181 W1196 | S1099-Y1101 VanDerWaalsContact C-N 3.32Å; S1099-Y1101 WeakPolarHBondContact OG-CB 3.46Å; S1099-Y1101 PolarHBondContact OG-N 2.75Å; Y1101-L1103 PolarHBondContact O-N 3.16Å; Y1101-Q1104 PolarHBondContact O-N 3.01Å; Y1101-A1105 PolarHBondContact O-N 3.17Å; Y1101-L1112 HydrophobicContact CD1-CD2 3.46Å; Y1101-L1112 VanDerWaalsContact CD1-CD2 3.46Å; Y1101-L1112 HydrophobicContact CE1-CD2 3.62Å; Y1101-I1113 PolarHBondContact OH-O 3.37Å; Y1101-L1114 HydrophobicContact CE1-CD2 4.41Å; Y1101-E1181 WeakPolarHBondContact CB-OE1 3.25Å; Y1101-E1181 PolarHBondContact N-OE1 2.89Å; Y1101-E1181 VanDerWaalsContact N-OE1 3.07Å; Y1101-W1196 HydrophobicContact CD1-CH2 4.18Å; Y1101-W1196 AromaticContact CD1-CZ2 3.82Å; Y1101-W1196 HydrophobicContact CD1-CZ2 3.82Å; Y1101-W1196 HydrophobicContact CD2-CZ2 4.03Å; Y1101-W1196 HydrophobicContact CE1-CH2 4.11Å; Y1101-W1196 HydrophobicContact CE1-CZ2 4.13Å; Y1101-W1196 HydrophobicContact CE2-CZ2 4.32Å; Y1101-W1196 AromaticContact CG-CZ2 3.79Å; Y1101-W1196 HydrophobicContact CG-CZ2 3.79Å |
| 1102 | E | 77.6 | Confident | 74 | Confident | 9 Ų | 9 | 54 Ų | 54 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 174.4 | 178 | 164.7 | -148.3 | 0 | 0 | 112.6 | R1094 P1098 S1099 T1106 L1112 S1130 | R1094-E1102 IonicContact CZ-OE1 3.74Å; R1094-E1102 IonicContact CZ-OE2 3.12Å; R1094-E1102 VanDerWaalsContact NH1-CD 3.3Å; R1094-E1102 IonicContact NH1-OE1 2.88Å; R1094-E1102 PolarHBondContact NH1-OE1 2.81Å; R1094-E1102 IonicContact NH1-OE2 3.74Å; R1094-E1102 PolarHBondContact NH1-OE2 2.8Å; R1094-E1102 IonicContact NH2-OE2 2.83Å; R1094-E1102 PolarHBondContact NH2-OE2 2.99Å; P1098-E1102 WeakPolarHBondContact CA-OE2 3.31Å; P1098-E1102 HydrophobicContact CB-CG 4.31Å; S1099-E1102 PolarHBondContact N-OE2 3.48Å; S1099-E1102 WeakPolarHBondContact O-CB 3.42Å; S1099-E1102 PolarHBondContact O-N 3.34Å; S1099-E1102 PolarHBondContact OG-N 2.92Å; S1099-E1102 VanDerWaalsContact OG-N 3.11Å; E1102-T1106 WeakPolarHBondContact O-CB 3.24Å; E1102-T1106 PolarHBondContact O-N 3.15Å; E1102-T1106 PolarHBondContact O-OG1 3.05Å; E1102-L1112 HydrophobicContact CG-CD1 4.38Å; E1102-S1130 WeakPolarHBondContact OE1-CA 3.48Å; E1102-S1130 WeakPolarHBondContact OE1-CB 3.15Å; E1102-S1130 PolarHBondContact OE1-OG 3.07Å |
| 1103 | L | 73.5 | Confident | 74.4 | Confident | 38 Ų | 38 | 56.4 Ų | 56.4 | 20% | 0.199 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.5 | -35.5 | 177.1 | -76.9 | 162 | 0 | 0 | 0 | 113.8 | M1019 L1022 P1098 S1099 Y1100 Y1101 T1106 K1107 | M1019-L1103 HydrophobicContact CE-CD1 3.4Å; M1019-L1103 HydrophobicContact SD-CD1 3.54Å; M1019-L1103 VanDerWaalsContact SD-CD1 3.54Å; L1022-L1103 HydrophobicContact CD2-CD1 3.68Å; L1022-L1103 HydrophobicContact CD2-CD2 3.67Å; L1022-L1103 HydrophobicContact CD2-CG 4.21Å; P1098-L1103 HydrophobicContact CB-CG 4.4Å; S1099-L1103 WeakPolarHBondContact O-CB 3.39Å; S1099-L1103 WeakPolarHBondContact O-CG 3.25Å; S1099-L1103 PolarHBondContact O-N 3.09Å; Y1100-L1103 PolarHBondContact O-N 2.79Å; Y1101-L1103 PolarHBondContact O-N 3.16Å; L1103-T1106 PolarHBondContact O-N 3.34Å; L1103-K1107 VanDerWaalsContact O-CB 3.23Å; L1103-K1107 WeakPolarHBondContact O-CB 3.49Å; L1103-K1107 PolarHBondContact O-N 3.49Å |
| 1104 | Q | 73 | Confident | 75 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.9 | -42.8 | 174.4 | -78.1 | -75.1 | -5.3 | 0 | 0 | 110.7 | Y1100 Y1101 R1108 | Y1100-Q1104 HydrophobicContact CD2-CG 4.18Å; Y1100-Q1104 HydrophobicContact CE1-CG 4.32Å; Y1100-Q1104 HydrophobicContact CE2-CG 3.87Å; Y1100-Q1104 VanDerWaalsContact CZ-NE2 3.33Å; Y1100-Q1104 WeakPolarHBondContact O-CB 3.06Å; Y1100-Q1104 WeakPolarHBondContact O-CG 3.2Å; Y1100-Q1104 PolarHBondContact O-N 3.4Å; Y1100-Q1104 PolarHBondContact OH-NE2 3.22Å; Y1101-Q1104 PolarHBondContact O-N 3.01Å; Q1104-R1108 VanDerWaalsContact O-CB 3.27Å; Q1104-R1108 WeakPolarHBondContact O-CB 3.37Å; Q1104-R1108 WeakPolarHBondContact O-CD 3.12Å; Q1104-R1108 WeakPolarHBondContact O-CG 3.32Å; Q1104-R1108 PolarHBondContact O-N 2.9Å |
| 1105 | A | 73 | Confident | 75.3 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 10% | 0.099 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -46.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1101 R1108 R1109 K1110 L1112 | Y1101-A1105 PolarHBondContact O-N 3.17Å; A1105-R1108 CarbonylContact O-C 3.48Å; A1105-R1108 PolarHBondContact O-N 2.79Å; A1105-R1109 PolarHBondContact O-N 3.46Å; A1105-K1110 PolarHBondContact O-N 3.21Å; A1105-L1112 HydrophobicContact CB-CD2 3.56Å; A1105-L1112 HydrophobicContact CB-CG 3.65Å |
| 1106 | T | 70.4 | Confident | 76 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 14% | 0.135 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -48.6 | 178.3 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | L1061 Y1080 E1102 L1103 R1108 R1109 | L1061-T1106 HydrophobicContact CD2-CG2 4.07Å; Y1080-T1106 HydrophobicContact CE1-CG2 4.22Å; E1102-T1106 WeakPolarHBondContact O-CB 3.24Å; E1102-T1106 PolarHBondContact O-N 3.15Å; E1102-T1106 PolarHBondContact O-OG1 3.05Å; L1103-T1106 PolarHBondContact O-N 3.34Å; T1106-R1108 VanDerWaalsContact C-N 3.29Å; T1106-R1108 PolarHBondContact O-N 3.46Å; T1106-R1109 PolarHBondContact O-N 3.38Å; T1106-R1109 VanDerWaalsContact O-N 3.1Å |
| 1107 | K | 64.5 | Low | 76.5 | Confident | 97 Ų | 97 | 50.9 Ų | 50.9 | 42% | 0.422 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.6 | -38.8 | 177.6 | -175.8 | -175.9 | 178.1 | -172.4 | 0 | 111.8 | L1103 R1109 | L1103-K1107 VanDerWaalsContact O-CB 3.23Å; L1103-K1107 WeakPolarHBondContact O-CB 3.49Å; L1103-K1107 PolarHBondContact O-N 3.49Å; K1107-R1109 VanDerWaalsContact C-N 3.32Å |
| 1108 | R | 66.9 | Low | 77.3 | Confident | 163 Ų | 163 | 50.9 Ų | 50.9 | 62% | 0.615 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -1.3 | 179.6 | -62.7 | 172.6 | -166.5 | -137.8 | 3.3 | 113.6 | Q1104 A1105 T1106 K1110 | Q1104-R1108 VanDerWaalsContact O-CB 3.27Å; Q1104-R1108 WeakPolarHBondContact O-CB 3.37Å; Q1104-R1108 WeakPolarHBondContact O-CD 3.12Å; Q1104-R1108 WeakPolarHBondContact O-CG 3.32Å; Q1104-R1108 PolarHBondContact O-N 2.9Å; A1105-R1108 CarbonylContact O-C 3.48Å; A1105-R1108 PolarHBondContact O-N 2.79Å; T1106-R1108 VanDerWaalsContact C-N 3.29Å; T1106-R1108 PolarHBondContact O-N 3.46Å; R1108-K1110 HydrophobicContact CB-CG 4.23Å; R1108-K1110 WeakPolarHBondContact O-CG 3.39Å; R1108-K1110 PolarHBondContact O-N 3.09Å |
| 1109 | R | 63.8 | Low | 77.8 | Confident | 141 Ų | 141 | 50.8 Ų | 50.8 | 53% | 0.532 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 31.4 | -173.3 | -47.4 | -174.5 | -166.9 | -170.9 | 4.4 | 114 | D1076 A1105 T1106 K1107 | D1076-R1109 IonicContact OD2-CZ 3.71Å; D1076-R1109 IonicContact OD2-NH1 2.78Å; D1076-R1109 PolarHBondContact OD2-NH1 3.15Å; A1105-R1109 PolarHBondContact O-N 3.46Å; T1106-R1109 PolarHBondContact O-N 3.38Å; T1106-R1109 VanDerWaalsContact O-N 3.1Å; K1107-R1109 VanDerWaalsContact C-N 3.32Å |
| 1110 | K | 65.8 | Low | 78.2 | Confident | 138 Ų | 138 | 52.9 Ų | 52.9 | 60% | 0.6 | 25% | 0.246 | S | C | * | . | P | Polyproline II helix | trans | -102.9 | 151.7 | -178.6 | -68 | -164.2 | 178.4 | -170.2 | 0 | 111.7 | A1105 R1108 | A1105-K1110 PolarHBondContact O-N 3.21Å; R1108-K1110 HydrophobicContact CB-CG 4.23Å; R1108-K1110 WeakPolarHBondContact O-CG 3.39Å; R1108-K1110 PolarHBondContact O-N 3.09Å |
| 1111 | P | 68.2 | Low | 78.6 | Confident | 74 Ų | 74 | 51.5 Ų | 51.5 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 149.6 | 170.7 | 24.4 | -33.8 | 0 | 0 | 0 | 111.1 | I1113 V1127 | P1111-I1113 PolarHBondContact O-N 3.28Å; P1111-V1127 HydrophobicContact CB-CG1 3.84Å |
| 1112 | L | 79.5 | Confident | 79 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 117.4 | 171.7 | -86.6 | 159.6 | 0 | 0 | 0 | 108.3 | Y1101 E1102 A1105 V1127 G1128 L1174 | Y1101-L1112 HydrophobicContact CD1-CD2 3.46Å; Y1101-L1112 VanDerWaalsContact CD1-CD2 3.46Å; Y1101-L1112 HydrophobicContact CE1-CD2 3.62Å; E1102-L1112 HydrophobicContact CG-CD1 4.38Å; A1105-L1112 HydrophobicContact CB-CD2 3.56Å; A1105-L1112 HydrophobicContact CB-CG 3.65Å; L1112-V1127 WeakPolarHBondContact O-CA 3.3Å; L1112-G1128 PolarHBondContact O-N 2.82Å; L1112-L1174 HydrophobicContact CD1-CD1 3.89Å |
| 1113 | I | 85.2 | Confident | 79.4 | Confident | 72 Ų | 72 | 55.2 Ų | 55.2 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 118.2 | 179.5 | -58 | 178.4 | 0 | 0 | 0 | 107.7 | Y1101 P1111 P1115 N1125 L1126 | Y1101-I1113 PolarHBondContact OH-O 3.37Å; P1111-I1113 PolarHBondContact O-N 3.28Å; I1113-P1115 WeakPolarHBondContact O-CD 3.12Å; I1113-N1125 HydrophobicContact CG2-CB 3.74Å; I1113-L1126 CarbonylContact C-O 3.46Å; I1113-L1126 WeakPolarHBondContact CA-O 3.46Å |
| 1114 | L | 87.5 | Confident | 80 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 103.3 | -177.7 | -61.6 | 176.1 | 0 | 0 | 0 | 108.5 | Y1101 L1126 I1132 M1137 I1173 I1177 W1196 L1198 | Y1101-L1114 HydrophobicContact CE1-CD2 4.41Å; L1114-L1126 PolarHBondContact N-O 2.77Å; L1114-L1126 PolarHBondContact O-N 3.42Å; L1114-I1132 HydrophobicContact CD1-CD1 4.38Å; L1114-I1132 HydrophobicContact CD1-CG2 3.83Å; L1114-M1137 HydrophobicContact CB-CE 3.79Å; L1114-M1137 HydrophobicContact CD1-CE 3.53Å; L1114-M1137 HydrophobicContact CG-CE 4.3Å; L1114-I1173 HydrophobicContact CD1-CG2 4.17Å; L1114-I1177 HydrophobicContact CD2-CD1 3.97Å; L1114-W1196 HydrophobicContact CD2-CH2 4.06Å; L1114-W1196 HydrophobicContact CD2-CZ3 4.49Å; L1114-L1198 HydrophobicContact CB-CD1 4.2Å |
| 1115 | P | 88.5 | Confident | 80.7 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 126.4 | 177.2 | 30.3 | -32.9 | 0 | 0 | 0 | 110 | I1113 N1125 | I1113-P1115 WeakPolarHBondContact O-CD 3.12Å; P1115-N1125 WeakPolarHBondContact CB-OD1 3.32Å |
| 1116 | V | 90.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.7 | 179 | -169.2 | 0 | 0 | 0 | 0 | 110.3 | N1123 K1124 M1137 L1141 L1198 F1200 | V1116-N1123 WeakPolarHBondContact O-CA 3.38Å; V1116-K1124 PolarHBondContact N-O 3.26Å; V1116-K1124 PolarHBondContact O-N 2.98Å; V1116-M1137 HydrophobicContact CG2-CE 4.27Å; V1116-M1137 HydrophobicContact CG2-SD 3.89Å; V1116-L1141 HydrophobicContact CB-CD1 4.43Å; V1116-L1141 HydrophobicContact CB-CD2 3.96Å; V1116-L1141 HydrophobicContact CG1-CD1 3.89Å; V1116-L1141 HydrophobicContact CG1-CD2 4.16Å; V1116-L1141 HydrophobicContact CG2-CD1 4.38Å; V1116-L1141 HydrophobicContact CG2-CD2 4.19Å; V1116-L1198 WeakPolarHBondContact CA-O 3.21Å; V1116-L1198 HydrophobicContact CB-CB 4.36Å; V1116-L1198 HydrophobicContact CG1-CB 4.2Å; V1116-L1198 HydrophobicContact CG2-CB 3.98Å; V1116-L1198 HydrophobicContact CG2-CD1 4.22Å; V1116-F1200 HydrophobicContact CG1-CB 4.03Å |
| 1117 | T | 89.9 | Confident | 81.8 | Confident | 31 Ų | 31 | 64.7 Ų | 64.7 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.3 | 177.4 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | N1123 L1198 F1199 F1200 | T1117-N1123 WeakPolarHBondContact CA-OD1 3.49Å; T1117-N1123 WeakPolarHBondContact CB-OD1 3.3Å; T1117-N1123 PolarHBondContact OG1-OD1 3.01Å; T1117-L1198 PolarHBondContact N-O 3.43Å; T1117-F1199 HydrophobicContact CG2-CD1 4.14Å; T1117-F1199 HydrophobicContact CG2-CE1 4.1Å; T1117-F1199 CarbonylContact O-C 3.51Å; T1117-F1199 VanDerWaalsContact O-CA 3.23Å; T1117-F1199 WeakPolarHBondContact O-CA 3.1Å; T1117-F1200 PolarHBondContact O-N 3.49Å |
| 1118 | F | 91.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 154.9 | 171.2 | -74.2 | -106.3 | 0 | 0 | 0 | 110.3 | N1120 G1121 M1122 K1124 L1141 V1145 F1200 L1220 | F1118-N1120 PolarHBondContact O-N 2.66Å; F1118-N1120 VanDerWaalsContact O-N 3.15Å; F1118-G1121 WeakPolarHBondContact O-CA 3.34Å; F1118-G1121 PolarHBondContact O-N 3.36Å; F1118-M1122 HydrophobicContact CB-CB 4.35Å; F1118-M1122 WeakPolarHBondContact CB-O 3.32Å; F1118-M1122 HydrophobicContact CD1-CE 4.37Å; F1118-M1122 HydrophobicContact CD2-CE 4.29Å; F1118-M1122 WeakPolarHBondContact CD2-O 3.29Å; F1118-M1122 HydrophobicContact CG-CE 4.14Å; F1118-M1122 PolarHBondContact N-O 3.07Å; F1118-K1124 HydrophobicContact CD2-CG 4.12Å; F1118-K1124 HydrophobicContact CE2-CB 3.92Å; F1118-K1124 HydrophobicContact CE2-CG 3.4Å; F1118-K1124 VanDerWaalsContact CE2-CG 3.4Å; F1118-K1124 HydrophobicContact CZ-CG 4.16Å; F1118-L1141 HydrophobicContact CE1-CB 4.46Å; F1118-L1141 HydrophobicContact CE2-CD2 3.67Å; F1118-L1141 HydrophobicContact CZ-CB 3.85Å; F1118-L1141 HydrophobicContact CZ-CD2 3.66Å; F1118-L1141 HydrophobicContact CZ-CG 4.31Å; F1118-V1145 HydrophobicContact CD1-CG1 4.18Å; F1118-V1145 HydrophobicContact CE1-CB 4.36Å; F1118-V1145 HydrophobicContact CE1-CG1 3.47Å; F1118-V1145 VanDerWaalsContact CE1-CG1 3.47Å; F1118-V1145 HydrophobicContact CE1-CG2 3.98Å; F1118-V1145 HydrophobicContact CE2-CG1 4.33Å; F1118-V1145 HydrophobicContact CZ-CG1 3.56Å; F1118-F1200 AromaticContact CD1-CD1 3.73Å; F1118-F1200 HydrophobicContact CD1-CD1 3.73Å; F1118-F1200 HydrophobicContact CD1-CE1 4.49Å; F1118-F1200 AromaticContact CE1-CD1 3.43Å; F1118-F1200 HydrophobicContact CE1-CD1 3.43Å; F1118-F1200 VanDerWaalsContact CE1-CD1 3.43Å; F1118-F1200 AromaticContact CE1-CE1 3.92Å; F1118-F1200 HydrophobicContact CE1-CE1 3.92Å; F1118-F1200 HydrophobicContact CE1-CG 4.32Å; F1118-F1200 HydrophobicContact CZ-CD1 4.15Å; F1118-L1220 HydrophobicContact CB-CD2 3.91Å; F1118-L1220 HydrophobicContact CD1-CD1 3.97Å; F1118-L1220 HydrophobicContact CD1-CD2 3.81Å; F1118-L1220 HydrophobicContact CE1-CD1 4.43Å; F1118-L1220 HydrophobicContact CG-CD2 4.35Å |
| 1119 | M | 89.5 | Confident | 83.1 | Confident | 23 Ų | 23 | 54 Ų | 54 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.8 | -175.2 | -65.9 | -51.7 | -61.7 | 0 | 0 | 114.8 | G1121 F1200 R1201 L1220 H1223 Q1224 R1227 | M1119-G1121 VanDerWaalsContact C-N 3.3Å; M1119-F1200 WeakPolarHBondContact CG-O 3.47Å; M1119-R1201 HydrophobicContact CG-CB 3.46Å; M1119-R1201 VanDerWaalsContact CG-CB 3.46Å; M1119-R1201 HydrophobicContact SD-CB 3.74Å; M1119-L1220 WeakPolarHBondContact CB-O 3.39Å; M1119-H1223 WeakPolarHBondContact O-CB 3.21Å; M1119-Q1224 HydrophobicContact CB-CB 4.01Å; M1119-Q1224 HydrophobicContact CE-CB 4.2Å; M1119-Q1224 HydrophobicContact CE-CG 4.22Å; M1119-Q1224 HydrophobicContact CG-CB 3.91Å; M1119-Q1224 HydrophobicContact CG-CG 4.36Å; M1119-R1227 WeakPolarHBondContact O-CD 3.37Å; M1119-R1227 PolarHBondContact O-NE 3.17Å; M1119-R1227 PolarHBondContact O-NH1 3.38Å |
| 1120 | N | 88.1 | Confident | 83.8 | Confident | 44 Ų | 44 | 47.7 Ų | 47.7 | 24% | 0.235 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.4 | 168.9 | 64.4 | 13.1 | 0 | 0 | 0 | 113.8 | F1118 M1122 D1219 L1220 H1223 R1227 | F1118-N1120 PolarHBondContact O-N 2.66Å; F1118-N1120 VanDerWaalsContact O-N 3.15Å; N1120-M1122 WeakPolarHBondContact OD1-CB 3.31Å; N1120-M1122 PolarHBondContact OD1-N 3.06Å; N1120-M1122 VanDerWaalsContact OD1-N 3.12Å; N1120-D1219 PolarHBondContact ND2-OD2 3.23Å; N1120-L1220 HydrophobicContact CB-CD2 4.4Å; N1120-H1223 HydrophobicContact CB-CB 4.08Å; N1120-R1227 VanDerWaalsContact C-NH2 3.35Å; N1120-R1227 PolarHBondContact O-NH2 2.92Å |
| 1121 | G | 84.4 | Confident | 84.6 | Confident | 33 Ų | 33 | 41.2 Ų | 41.2 | 34% | 0.34 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 102.7 | -4.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | F1118 M1119 N1123 R1227 | F1118-G1121 WeakPolarHBondContact O-CA 3.34Å; F1118-G1121 PolarHBondContact O-N 3.36Å; M1119-G1121 VanDerWaalsContact C-N 3.3Å; G1121-N1123 PolarHBondContact O-N 3.45Å; G1121-R1227 VanDerWaalsContact N-NH1 3.18Å |
| 1122 | M | 88 | Confident | 85.6 | Confident | 71 Ų | 71 | 38.2 Ų | 38.2 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | trans | -62.5 | 133 | 170.4 | 173.3 | 172.6 | 50.7 | 0 | 0 | 110.4 | F1118 N1120 K1124 V1145 | F1118-M1122 HydrophobicContact CB-CB 4.35Å; F1118-M1122 WeakPolarHBondContact CB-O 3.32Å; F1118-M1122 HydrophobicContact CD1-CE 4.37Å; F1118-M1122 HydrophobicContact CD2-CE 4.29Å; F1118-M1122 WeakPolarHBondContact CD2-O 3.29Å; F1118-M1122 HydrophobicContact CG-CE 4.14Å; F1118-M1122 PolarHBondContact N-O 3.07Å; N1120-M1122 WeakPolarHBondContact OD1-CB 3.31Å; N1120-M1122 PolarHBondContact OD1-N 3.06Å; N1120-M1122 VanDerWaalsContact OD1-N 3.12Å; M1122-K1124 HydrophobicContact SD-CD 4.41Å; M1122-V1145 HydrophobicContact CE-CB 4.44Å; M1122-V1145 HydrophobicContact CE-CG1 3.47Å; M1122-V1145 VanDerWaalsContact CE-CG1 3.47Å | ||
| 1123 | N | 86.3 | Confident | 86.1 | Confident | 101 Ų | 101 | 38.4 Ų | 38.4 | 54% | 0.54 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 137.1 | 170.4 | -69.4 | -48.6 | 0 | 0 | 0 | 110.5 | V1116 T1117 G1121 | V1116-N1123 WeakPolarHBondContact O-CA 3.38Å; T1117-N1123 WeakPolarHBondContact CA-OD1 3.49Å; T1117-N1123 WeakPolarHBondContact CB-OD1 3.3Å; T1117-N1123 PolarHBondContact OG1-OD1 3.01Å; G1121-N1123 PolarHBondContact O-N 3.45Å |
| 1124 | K | 86.4 | Confident | 86.2 | Confident | 68 Ų | 68 | 35 Ų | 35 | 30% | 0.296 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.4 | 166.8 | -64.6 | -71.3 | -162.6 | 176 | 0 | 109.4 | V1116 F1118 M1122 L1141 S1144 | V1116-K1124 PolarHBondContact N-O 3.26Å; V1116-K1124 PolarHBondContact O-N 2.98Å; F1118-K1124 HydrophobicContact CD2-CG 4.12Å; F1118-K1124 HydrophobicContact CE2-CB 3.92Å; F1118-K1124 HydrophobicContact CE2-CG 3.4Å; F1118-K1124 VanDerWaalsContact CE2-CG 3.4Å; F1118-K1124 HydrophobicContact CZ-CG 4.16Å; M1122-K1124 HydrophobicContact SD-CD 4.41Å; K1124-L1141 HydrophobicContact CB-CD2 4.42Å; K1124-S1144 PolarHBondContact NZ-O 2.92Å |
| 1125 | N | 86.8 | Confident | 86.2 | Confident | 113 Ų | 113 | 40.7 Ų | 40.7 | 60% | 0.604 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 111.8 | 172 | -71.7 | -10.2 | 0 | 0 | 0 | 108.5 | I1113 P1115 | I1113-N1125 HydrophobicContact CG2-CB 3.74Å; P1115-N1125 WeakPolarHBondContact CB-OD1 3.32Å |
| 1126 | L | 84.2 | Confident | 86.3 | Confident | 28 Ų | 28 | 40.5 Ų | 40.5 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 139.4 | 173.1 | -76 | 177.6 | 0 | 0 | 0 | 110.9 | I1113 L1114 M1137 L1141 | I1113-L1126 CarbonylContact C-O 3.46Å; I1113-L1126 WeakPolarHBondContact CA-O 3.46Å; L1114-L1126 PolarHBondContact N-O 2.77Å; L1114-L1126 PolarHBondContact O-N 3.42Å; L1126-M1137 HydrophobicContact CD1-CE 4.46Å; L1126-M1137 HydrophobicContact CD1-CG 3.87Å; L1126-L1141 HydrophobicContact CD1-CD2 3.72Å; L1126-L1141 HydrophobicContact CD1-CG 3.76Å; L1126-L1141 HydrophobicContact CG-CD2 4.25Å |
| 1127 | V | 82.2 | Confident | 86.3 | Confident | 107 Ų | 107 | 40.5 Ų | 40.5 | 65% | 0.648 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 123.7 | 166.7 | 172.8 | 0 | 0 | 0 | 0 | 108.3 | P1111 L1112 | P1111-V1127 HydrophobicContact CB-CG1 3.84Å; L1112-V1127 WeakPolarHBondContact O-CA 3.3Å |
| 1128 | G | 78.7 | Confident | 86.3 | Confident | 9 Ų | 9 | 39.6 Ų | 39.6 | 9% | 0.093 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | -175.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1112 | L1112-G1128 PolarHBondContact O-N 2.82Å |
| 1129 | D | 80.6 | Confident | 86.2 | Confident | 26 Ų | 26 | 45.6 Ų | 45.6 | 14% | 0.139 | 24% | 0.244 | C | C | . | . | trans | -140.7 | 179.3 | 178.3 | 62.4 | 37.6 | 0 | 0 | 0 | 111.7 | R1087 A1131 I1132 L1174 | R1087-D1129 IonicContact CZ-OD1 2.74Å; R1087-D1129 IonicContact CZ-OD2 2.7Å; R1087-D1129 IonicContact NE-OD1 3.32Å; R1087-D1129 IonicContact NE-OD2 3.05Å; R1087-D1129 PolarHBondContact NE-OD2 2.75Å; R1087-D1129 IonicContact NH2-OD1 2.78Å; R1087-D1129 PolarHBondContact NH2-OD1 3.18Å; R1087-D1129 IonicContact NH2-OD2 2.81Å; R1087-D1129 PolarHBondContact NH2-OD2 3.24Å; D1129-A1131 PolarHBondContact O-N 3.46Å; D1129-A1131 WeakPolarHBondContact OD1-CA 3.28Å; D1129-A1131 PolarHBondContact OD1-N 3Å; D1129-I1132 VanDerWaalsContact O-CG2 3.3Å; D1129-I1132 WeakPolarHBondContact O-CG2 3.42Å; D1129-I1132 PolarHBondContact O-N 3.17Å; D1129-I1132 PolarHBondContact OD1-N 3.25Å; D1129-L1174 WeakPolarHBondContact O-CD1 3.47Å | ||
| 1130 | S | 78.1 | Confident | 86.2 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -14.7 | 179.5 | -66.1 | 0 | 0 | 0 | 0 | 115.3 | R1084 R1094 E1102 | R1084-S1130 VanDerWaalsContact NH1-N 3.16Å; R1084-S1130 PolarHBondContact NH1-OG 2.81Å; R1094-S1130 VanDerWaalsContact CD-O 3.31Å; R1094-S1130 WeakPolarHBondContact CD-O 3.31Å; R1094-S1130 PolarHBondContact NH1-O 2.87Å; E1102-S1130 WeakPolarHBondContact OE1-CA 3.48Å; E1102-S1130 WeakPolarHBondContact OE1-CB 3.15Å; E1102-S1130 PolarHBondContact OE1-OG 3.07Å |
| 1131 | A | 83.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 11 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1087 N1091 D1129 T1133 H1172 | R1087-A1131 HydrophobicContact CB-CB 4.05Å; N1091-A1131 HydrophobicContact CB-CB 4.44Å; N1091-A1131 PolarHBondContact ND2-O 2.88Å; D1129-A1131 PolarHBondContact O-N 3.46Å; D1129-A1131 WeakPolarHBondContact OD1-CA 3.28Å; D1129-A1131 PolarHBondContact OD1-N 3Å; A1131-T1133 PolarHBondContact O-N 3.21Å; A1131-H1172 PolarHBondContact O-CD2 3.41Å |
| 1132 | I | 88.6 | Confident | 86.6 | Confident | 11 Ų | 11 | 43.4 Ų | 43.4 | 6% | 0.056 | 23% | 0.229 | C | C | . | . | trans | -64.2 | 129.2 | 179.9 | -168.1 | 173.5 | 0 | 0 | 0 | 111.9 | L1114 D1129 E1136 M1137 I1173 | L1114-I1132 HydrophobicContact CD1-CD1 4.38Å; L1114-I1132 HydrophobicContact CD1-CG2 3.83Å; D1129-I1132 VanDerWaalsContact O-CG2 3.3Å; D1129-I1132 WeakPolarHBondContact O-CG2 3.42Å; D1129-I1132 PolarHBondContact O-N 3.17Å; D1129-I1132 PolarHBondContact OD1-N 3.25Å; I1132-E1136 WeakPolarHBondContact CA-OE2 3.31Å; I1132-E1136 HydrophobicContact CG1-CB 4.3Å; I1132-M1137 HydrophobicContact CD1-CE 4.25Å; I1132-I1173 HydrophobicContact CG2-CB 4.18Å; I1132-I1173 HydrophobicContact CG2-CG1 4.36Å; I1132-I1173 PolarHBondContact O-N 3.21Å; I1132-I1173 VanDerWaalsContact O-N 3.1Å | ||
| 1133 | T | 89.5 | Confident | 86.6 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -99.4 | 160.8 | 178.9 | 62 | 0 | 0 | 0 | 0 | 112.9 | N1091 A1131 Q1135 E1136 M1137 E1171 | N1091-T1133 HydrophobicContact CB-CG2 3.93Å; A1131-T1133 PolarHBondContact O-N 3.21Å; T1133-Q1135 VanDerWaalsContact C-N 3.27Å; T1133-Q1135 PolarHBondContact O-N 2.7Å; T1133-E1136 PolarHBondContact N-OE2 3.26Å; T1133-E1136 VanDerWaalsContact N-OE2 3.11Å; T1133-E1136 PolarHBondContact O-N 2.64Å; T1133-E1136 WeakPolarHBondContact OG1-CG 3.17Å; T1133-E1136 PolarHBondContact OG1-N 2.83Å; T1133-M1137 PolarHBondContact O-N 2.84Å; T1133-E1171 CarbonylContact C-O 3.5Å; T1133-E1171 WeakPolarHBondContact CA-O 3.28Å |
| 1134 | A | 88.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -37.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1137 C1138 L1166 G1169 E1171 I1173 | A1134-M1137 PolarHBondContact O-N 3.04Å; A1134-C1138 WeakPolarHBondContact O-CB 3.3Å; A1134-C1138 PolarHBondContact O-N 3.23Å; A1134-C1138 PolarHBondContact O-SG 3.03Å; A1134-C1138 VanDerWaalsContact O-SG 3.33Å; A1134-L1166 HydrophobicContact CB-CB 4.32Å; A1134-L1166 WeakPolarHBondContact CB-O 3.25Å; A1134-G1169 PolarHBondContact N-O 2.87Å; A1134-E1171 PolarHBondContact N-O 3.28Å; A1134-I1173 HydrophobicContact CB-CD1 4.01Å |
| 1135 | Q | 87.5 | Confident | 86.7 | Confident | 119 Ų | 119 | 43.6 Ų | 43.6 | 56% | 0.556 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -59.4 | -47.4 | 174.2 | -172.4 | 177.3 | -7 | 0 | 0 | 112.6 | T1133 C1138 H1139 S1168 G1169 | T1133-Q1135 VanDerWaalsContact C-N 3.27Å; T1133-Q1135 PolarHBondContact O-N 2.7Å; Q1135-C1138 PolarHBondContact O-N 3.36Å; Q1135-H1139 WeakPolarHBondContact O-CB 3.35Å; Q1135-H1139 PolarHBondContact O-N 2.92Å; Q1135-S1168 WeakPolarHBondContact CA-O 3.4Å; Q1135-S1168 VanDerWaalsContact CB-O 3.28Å; Q1135-S1168 WeakPolarHBondContact CB-O 3.2Å; Q1135-G1169 WeakPolarHBondContact CB-O 3.43Å; Q1135-G1169 PolarHBondContact N-O 2.7Å |
| 1136 | E | 89.4 | Confident | 86.8 | Confident | 51 Ų | 51 | 40.7 Ų | 40.7 | 24% | 0.238 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 177.5 | -71 | 173.7 | 156 | 0 | 0 | 112.1 | R1087 N1091 I1132 T1133 S1140 | R1087-E1136 IonicContact CZ-OE1 2.74Å; R1087-E1136 IonicContact CZ-OE2 3.14Å; R1087-E1136 IonicContact NH1-OE1 3.45Å; R1087-E1136 PolarHBondContact NH1-OE1 3.32Å; R1087-E1136 IonicContact NH1-OE2 2.71Å; R1087-E1136 IonicContact NH2-OE1 4Å; R1087-E1136 PolarHBondContact NH2-OE1 3.39Å; R1087-E1136 IonicContact NH2-OE2 3.26Å; R1087-E1136 PolarHBondContact NH2-OE2 3.44Å; N1091-E1136 PolarHBondContact ND2-OE1 2.9Å; N1091-E1136 PolarHBondContact ND2-OE2 3.46Å; N1091-E1136 PolarHBondContact OD1-OE1 2.88Å; I1132-E1136 WeakPolarHBondContact CA-OE2 3.31Å; I1132-E1136 HydrophobicContact CG1-CB 4.3Å; T1133-E1136 PolarHBondContact N-OE2 3.26Å; T1133-E1136 VanDerWaalsContact N-OE2 3.11Å; T1133-E1136 PolarHBondContact O-N 2.64Å; T1133-E1136 WeakPolarHBondContact OG1-CG 3.17Å; T1133-E1136 PolarHBondContact OG1-N 2.83Å; E1136-S1140 WeakPolarHBondContact O-CB 3.2Å; E1136-S1140 PolarHBondContact O-N 2.84Å; E1136-S1140 PolarHBondContact O-OG 3.28Å |
| 1137 | M | 90.6 | Very high | 87 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -50.8 | 175.9 | -177.1 | 168.1 | -79 | 0 | 0 | 110.7 | L1114 V1116 L1126 I1132 T1133 A1134 H1139 S1140 L1141 V1155 I1173 L1198 | L1114-M1137 HydrophobicContact CB-CE 3.79Å; L1114-M1137 HydrophobicContact CD1-CE 3.53Å; L1114-M1137 HydrophobicContact CG-CE 4.3Å; V1116-M1137 HydrophobicContact CG2-CE 4.27Å; V1116-M1137 HydrophobicContact CG2-SD 3.89Å; L1126-M1137 HydrophobicContact CD1-CE 4.46Å; L1126-M1137 HydrophobicContact CD1-CG 3.87Å; I1132-M1137 HydrophobicContact CD1-CE 4.25Å; T1133-M1137 PolarHBondContact O-N 2.84Å; A1134-M1137 PolarHBondContact O-N 3.04Å; M1137-H1139 VanDerWaalsContact C-N 3.35Å; M1137-H1139 PolarHBondContact O-N 3.26Å; M1137-S1140 PolarHBondContact O-N 2.74Å; M1137-L1141 HydrophobicContact CG-CD1 3.64Å; M1137-L1141 HydrophobicContact CG-CG 4.2Å; M1137-L1141 WeakPolarHBondContact O-CB 3.47Å; M1137-L1141 WeakPolarHBondContact O-CG 3.3Å; M1137-L1141 PolarHBondContact O-N 2.78Å; M1137-V1155 HydrophobicContact CB-CG2 4.19Å; M1137-V1155 HydrophobicContact CG-CG2 3.7Å; M1137-V1155 HydrophobicContact SD-CB 4.49Å; M1137-V1155 HydrophobicContact SD-CG1 3.95Å; M1137-V1155 HydrophobicContact SD-CG2 3.76Å; M1137-I1173 HydrophobicContact CE-CG1 4.09Å; M1137-I1173 HydrophobicContact CE-CG2 4.24Å; M1137-I1173 HydrophobicContact SD-CD1 3.93Å; M1137-I1173 HydrophobicContact SD-CG1 4.12Å; M1137-L1198 HydrophobicContact CE-CD1 4.09Å; M1137-L1198 HydrophobicContact SD-CD1 4.15Å |
| 1138 | C | 90.4 | Very high | 87.2 | Confident | 12 Ų | 12 | 42 Ų | 42 | 8% | 0.081 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.5 | -46.3 | 175.9 | -75.6 | 0 | 0 | 0 | 0 | 112.5 | A1134 Q1135 S1140 L1141 A1142 F1153 F1200 | A1134-C1138 WeakPolarHBondContact O-CB 3.3Å; A1134-C1138 PolarHBondContact O-N 3.23Å; A1134-C1138 PolarHBondContact O-SG 3.03Å; A1134-C1138 VanDerWaalsContact O-SG 3.33Å; Q1135-C1138 PolarHBondContact O-N 3.36Å; C1138-S1140 PolarHBondContact O-N 2.8Å; C1138-L1141 PolarHBondContact O-N 3.32Å; C1138-A1142 VanDerWaalsContact O-CB 3.28Å; C1138-A1142 WeakPolarHBondContact O-CB 3.49Å; C1138-A1142 PolarHBondContact O-N 3.38Å; C1138-F1153 PolarHBondContact SG-O 3.39Å; C1138-F1200 HydrophobicContact CB-CE2 4.05Å |
| 1139 | H | 89.3 | Confident | 87.6 | Confident | 125 Ų | 125 | 43.3 Ų | 43.3 | 58% | 0.579 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -63.2 | -42.5 | 178.7 | -175.6 | 77.2 | 0 | 0 | 0 | 112 | Q1135 M1137 K1143 | Q1135-H1139 WeakPolarHBondContact O-CB 3.35Å; Q1135-H1139 PolarHBondContact O-N 2.92Å; M1137-H1139 VanDerWaalsContact C-N 3.35Å; M1137-H1139 PolarHBondContact O-N 3.26Å; H1139-K1143 WeakPolarHBondContact O-CB 3.24Å; H1139-K1143 PolarHBondContact O-N 3.25Å |
| 1140 | S | 89.1 | Confident | 88 | Confident | 50 Ų | 50 | 45 Ų | 45 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.9 | -40.8 | 178 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | E1136 M1137 C1138 S1144 | E1136-S1140 WeakPolarHBondContact O-CB 3.2Å; E1136-S1140 PolarHBondContact O-N 2.84Å; E1136-S1140 PolarHBondContact O-OG 3.28Å; M1137-S1140 PolarHBondContact O-N 2.74Å; C1138-S1140 PolarHBondContact O-N 2.8Å; S1140-S1144 VanDerWaalsContact O-CB 3.29Å; S1140-S1144 WeakPolarHBondContact O-CB 3.31Å; S1140-S1144 PolarHBondContact O-N 2.79Å |
| 1141 | L | 91.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -50.9 | 175.9 | -69.5 | 167.6 | 0 | 0 | 0 | 111.1 | V1116 F1118 K1124 L1126 M1137 C1138 K1143 S1144 V1145 V1155 F1200 | V1116-L1141 HydrophobicContact CB-CD1 4.43Å; V1116-L1141 HydrophobicContact CB-CD2 3.96Å; V1116-L1141 HydrophobicContact CG1-CD1 3.89Å; V1116-L1141 HydrophobicContact CG1-CD2 4.16Å; V1116-L1141 HydrophobicContact CG2-CD1 4.38Å; V1116-L1141 HydrophobicContact CG2-CD2 4.19Å; F1118-L1141 HydrophobicContact CE1-CB 4.46Å; F1118-L1141 HydrophobicContact CE2-CD2 3.67Å; F1118-L1141 HydrophobicContact CZ-CB 3.85Å; F1118-L1141 HydrophobicContact CZ-CD2 3.66Å; F1118-L1141 HydrophobicContact CZ-CG 4.31Å; K1124-L1141 HydrophobicContact CB-CD2 4.42Å; L1126-L1141 HydrophobicContact CD1-CD2 3.72Å; L1126-L1141 HydrophobicContact CD1-CG 3.76Å; L1126-L1141 HydrophobicContact CG-CD2 4.25Å; M1137-L1141 HydrophobicContact CG-CD1 3.64Å; M1137-L1141 HydrophobicContact CG-CG 4.2Å; M1137-L1141 WeakPolarHBondContact O-CB 3.47Å; M1137-L1141 WeakPolarHBondContact O-CG 3.3Å; M1137-L1141 PolarHBondContact O-N 2.78Å; C1138-L1141 PolarHBondContact O-N 3.32Å; L1141-K1143 PolarHBondContact O-N 2.85Å; L1141-S1144 PolarHBondContact O-N 3.42Å; L1141-S1144 PolarHBondContact O-OG 2.85Å; L1141-V1145 PolarHBondContact O-N 3.1Å; L1141-V1155 HydrophobicContact CD1-CG2 3.99Å; L1141-F1200 HydrophobicContact CB-CD1 4.3Å; L1141-F1200 HydrophobicContact CB-CD2 4.15Å; L1141-F1200 HydrophobicContact CB-CE1 4.23Å; L1141-F1200 HydrophobicContact CB-CE2 4.09Å; L1141-F1200 HydrophobicContact CB-CG 4.24Å; L1141-F1200 HydrophobicContact CB-CZ 4.11Å; L1141-F1200 HydrophobicContact CD1-CB 3.95Å; L1141-F1200 HydrophobicContact CD1-CD2 3.49Å; L1141-F1200 VanDerWaalsContact CD1-CD2 3.49Å; L1141-F1200 HydrophobicContact CD1-CE2 4.1Å; L1141-F1200 HydrophobicContact CD1-CG 3.78Å; L1141-F1200 HydrophobicContact CG-CD2 4.47Å |
| 1142 | A | 90.3 | Very high | 88.8 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.033 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54.9 | -48.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1138 S1144 V1145 G1146 L1147 | C1138-A1142 VanDerWaalsContact O-CB 3.28Å; C1138-A1142 WeakPolarHBondContact O-CB 3.49Å; C1138-A1142 PolarHBondContact O-N 3.38Å; A1142-S1144 VanDerWaalsContact C-N 3.31Å; A1142-S1144 PolarHBondContact O-N 2.89Å; A1142-V1145 PolarHBondContact O-N 2.98Å; A1142-G1146 PolarHBondContact O-N 3.01Å; A1142-G1146 VanDerWaalsContact O-N 3.11Å; A1142-L1147 HydrophobicContact CB-CB 4.02Å; A1142-L1147 HydrophobicContact CB-CD2 3.85Å; A1142-L1147 HydrophobicContact CB-CG 4.5Å; A1142-L1147 PolarHBondContact O-N 2.79Å; A1142-L1147 VanDerWaalsContact O-N 3.09Å |
| 1143 | K | 88.2 | Confident | 89 | Confident | 169 Ų | 169 | 47.9 Ų | 47.9 | 74% | 0.735 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.6 | -34.8 | 176.1 | -173 | 176.1 | 179.5 | -179.9 | 0 | 112.6 | H1139 L1141 V1145 | H1139-K1143 WeakPolarHBondContact O-CB 3.24Å; H1139-K1143 PolarHBondContact O-N 3.25Å; L1141-K1143 PolarHBondContact O-N 2.85Å; K1143-V1145 PolarHBondContact O-N 2.73Å |
| 1144 | S | 87.2 | Confident | 89 | Confident | 44 Ų | 44 | 47.6 Ų | 47.6 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -8.4 | -179.2 | 80.8 | 0 | 0 | 0 | 0 | 115.4 | K1124 S1140 L1141 A1142 | K1124-S1144 PolarHBondContact NZ-O 2.92Å; S1140-S1144 VanDerWaalsContact O-CB 3.29Å; S1140-S1144 WeakPolarHBondContact O-CB 3.31Å; S1140-S1144 PolarHBondContact O-N 2.79Å; L1141-S1144 PolarHBondContact O-N 3.42Å; L1141-S1144 PolarHBondContact O-OG 2.85Å; A1142-S1144 VanDerWaalsContact C-N 3.31Å; A1142-S1144 PolarHBondContact O-N 2.89Å |
| 1145 | V | 88 | Confident | 89 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 19% | 0.194 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | -5.1 | 178.7 | -54.2 | 0 | 0 | 0 | 0 | 114.1 | F1118 M1122 L1141 A1142 K1143 L1147 T1216 | F1118-V1145 HydrophobicContact CD1-CG1 4.18Å; F1118-V1145 HydrophobicContact CE1-CB 4.36Å; F1118-V1145 HydrophobicContact CE1-CG1 3.47Å; F1118-V1145 VanDerWaalsContact CE1-CG1 3.47Å; F1118-V1145 HydrophobicContact CE1-CG2 3.98Å; F1118-V1145 HydrophobicContact CE2-CG1 4.33Å; F1118-V1145 HydrophobicContact CZ-CG1 3.56Å; M1122-V1145 HydrophobicContact CE-CB 4.44Å; M1122-V1145 HydrophobicContact CE-CG1 3.47Å; M1122-V1145 VanDerWaalsContact CE-CG1 3.47Å; L1141-V1145 PolarHBondContact O-N 3.1Å; A1142-V1145 PolarHBondContact O-N 2.98Å; K1143-V1145 PolarHBondContact O-N 2.73Å; V1145-L1147 HydrophobicContact CG2-CB 3.98Å; V1145-T1216 HydrophobicContact CB-CG2 4.39Å; V1145-T1216 HydrophobicContact CG2-CG2 4.04Å |
| 1146 | G | 87.1 | Confident | 89.1 | Confident | 51 Ų | 51 | 43 Ų | 43 | 53% | 0.526 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 19.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1142 K1148 | A1142-G1146 PolarHBondContact O-N 3.01Å; A1142-G1146 VanDerWaalsContact O-N 3.11Å; G1146-K1148 PolarHBondContact O-N 3.29Å |
| 1147 | L | 89.2 | Confident | 88.8 | Confident | 17 Ų | 17 | 41 Ų | 41 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | trans | -64.8 | 125.6 | -177.9 | -170 | 70.7 | 0 | 0 | 0 | 111.7 | A1142 V1145 F1153 F1200 T1216 A1217 L1220 | A1142-L1147 HydrophobicContact CB-CB 4.02Å; A1142-L1147 HydrophobicContact CB-CD2 3.85Å; A1142-L1147 HydrophobicContact CB-CG 4.5Å; A1142-L1147 PolarHBondContact O-N 2.79Å; A1142-L1147 VanDerWaalsContact O-N 3.09Å; V1145-L1147 HydrophobicContact CG2-CB 3.98Å; L1147-F1153 HydrophobicContact CD1-CE2 3.86Å; L1147-F1153 HydrophobicContact CD1-CZ 4.09Å; L1147-F1153 HydrophobicContact CD2-CD2 3.68Å; L1147-F1153 HydrophobicContact CD2-CE2 3.82Å; L1147-F1153 HydrophobicContact CD2-CG 4.06Å; L1147-F1153 HydrophobicContact CD2-CZ 4.37Å; L1147-F1153 HydrophobicContact CG-CE2 4.32Å; L1147-F1200 HydrophobicContact CD2-CE1 4.1Å; L1147-F1200 HydrophobicContact CD2-CZ 4.22Å; L1147-T1216 HydrophobicContact CD1-CG2 4.26Å; L1147-A1217 HydrophobicContact CD1-CB 3.7Å; L1147-L1220 HydrophobicContact CD1-CD1 4.44Å | ||
| 1148 | K | 87.3 | Confident | 88.3 | Confident | 147 Ų | 147 | 41.6 Ų | 41.6 | 64% | 0.639 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -90.3 | -53 | 177.7 | -46.3 | 177.9 | -160.5 | 163.1 | 0 | 111.1 | G1146 S1150 D1213 D1214 | G1146-K1148 PolarHBondContact O-N 3.29Å; K1148-S1150 VanDerWaalsContact C-N 3.25Å; K1148-S1150 PolarHBondContact O-N 3.08Å; K1148-D1213 PolarHBondContact NZ-O 3.18Å; K1148-D1214 WeakPolarHBondContact CA-OD2 3.36Å; K1148-D1214 HydrophobicContact CB-CB 4.13Å; K1148-D1214 WeakPolarHBondContact CB-OD2 3.11Å; K1148-D1214 HydrophobicContact CD-CB 4.34Å; K1148-D1214 HydrophobicContact CG-CB 4.42Å; K1148-D1214 PolarHBondContact N-OD2 3.41Å |
| 1149 | D | 87.2 | Confident | 87.5 | Confident | 36 Ų | 36 | 41.9 Ų | 41.9 | 19% | 0.193 | 23% | 0.229 | C | C | . | . | trans | -84.8 | 69 | 175.1 | -178.7 | 27.8 | 0 | 0 | 0 | 110.7 | F1151 F1153 K1202 H1209 D1214 A1217 | D1149-F1151 PolarHBondContact O-N 3.22Å; D1149-F1151 WeakPolarHBondContact OD1-CB 3.38Å; D1149-F1151 PolarHBondContact OD1-N 3.3Å; D1149-F1153 VanDerWaalsContact O-CD2 3.28Å; D1149-F1153 WeakPolarHBondContact O-CD2 3.4Å; D1149-F1153 VanDerWaalsContact O-CE2 3.22Å; D1149-F1153 WeakPolarHBondContact O-CE2 3.36Å; D1149-K1202 PolarHBondContact O-NZ 2.97Å; D1149-K1202 IonicContact OD1-NZ 3.79Å; D1149-K1202 IonicContact OD2-NZ 3.19Å; D1149-K1202 PolarHBondContact OD2-NZ 2.8Å; D1149-H1209 IonicContact OD2-CE1 3.91Å; D1149-H1209 PolarHBondContact OD2-CE1 2.89Å; D1149-H1209 IonicContact OD2-ND1 3.18Å; D1149-H1209 PolarHBondContact OD2-ND1 3.33Å; D1149-D1214 HydrophobicContact CB-CB 4.42Å; D1149-D1214 PolarHBondContact N-OD2 3.27Å; D1149-A1217 HydrophobicContact CB-CB 4.5Å | ||
| 1150 | S | 88.9 | Confident | 86.5 | Confident | 60 Ų | 60 | 40.9 Ų | 40.9 | 42% | 0.42 | 24% | 0.236 | S | C | . | . | trans | -71.1 | -7 | 174 | 58 | 0 | 0 | 0 | 0 | 114 | K1148 G1152 F1153 | K1148-S1150 VanDerWaalsContact C-N 3.25Å; K1148-S1150 PolarHBondContact O-N 3.08Å; S1150-G1152 PolarHBondContact O-N 3.04Å; S1150-F1153 PolarHBondContact O-N 3.29Å | ||
| 1151 | F | 89.5 | Confident | 85.4 | Confident | 73 Ų | 73 | 43.6 Ų | 43.6 | 32% | 0.32 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 133.9 | -179.9 | -179.1 | -84.3 | 0 | 0 | 0 | 110.9 | D1149 F1153 K1202 I1204 T1206 L1437 F1441 | D1149-F1151 PolarHBondContact O-N 3.22Å; D1149-F1151 WeakPolarHBondContact OD1-CB 3.38Å; D1149-F1151 PolarHBondContact OD1-N 3.3Å; F1151-F1153 PolarHBondContact O-N 2.83Å; F1151-K1202 WeakPolarHBondContact O-CE 3.38Å; F1151-K1202 PolarHBondContact O-NZ 2.68Å; F1151-I1204 HydrophobicContact CE1-CG2 4.06Å; F1151-T1206 HydrophobicContact CB-CG2 4.37Å; F1151-T1206 HydrophobicContact CD1-CG2 3.37Å; F1151-T1206 HydrophobicContact CE1-CG2 3.74Å; F1151-T1206 HydrophobicContact CG-CG2 3.82Å; F1151-T1206 HydrophobicContact CZ-CG2 4.44Å; F1151-L1437 HydrophobicContact CZ-CD1 3.79Å; F1151-F1441 AromaticContact CE1-CE1 3.6Å; F1151-F1441 HydrophobicContact CE1-CE1 3.6Å; F1151-F1441 AromaticContact CE1-CZ 3.7Å; F1151-F1441 HydrophobicContact CE1-CZ 3.7Å; F1151-F1441 HydrophobicContact CE2-CE1 4.43Å; F1151-F1441 AromaticContact CZ-CE1 3.45Å; F1151-F1441 HydrophobicContact CZ-CE1 3.45Å; F1151-F1441 VanDerWaalsContact CZ-CE1 3.45Å; F1151-F1441 AromaticContact CZ-CZ 3.76Å; F1151-F1441 HydrophobicContact CZ-CZ 3.76Å |
| 1152 | G | 87.5 | Confident | 83.9 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 14.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | S1150 K1202 E1203 I1204 | S1150-G1152 PolarHBondContact O-N 3.04Å; G1152-K1202 CarbonylContact O-C 3.51Å; G1152-E1203 PolarHBondContact O-N 3.49Å; G1152-I1204 VanDerWaalsContact CA-CG2 3.47Å; G1152-I1204 PolarHBondContact O-N 2.85Å |
| 1153 | F | 92.1 | Very high | 82.8 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 131.1 | 159.8 | -80.3 | -89.6 | 0 | 0 | 0 | 109.7 | C1138 L1147 D1149 S1150 F1151 S1168 F1200 R1201 K1202 A1217 L1220 I1221 | C1138-F1153 PolarHBondContact SG-O 3.39Å; L1147-F1153 HydrophobicContact CD1-CE2 3.86Å; L1147-F1153 HydrophobicContact CD1-CZ 4.09Å; L1147-F1153 HydrophobicContact CD2-CD2 3.68Å; L1147-F1153 HydrophobicContact CD2-CE2 3.82Å; L1147-F1153 HydrophobicContact CD2-CG 4.06Å; L1147-F1153 HydrophobicContact CD2-CZ 4.37Å; L1147-F1153 HydrophobicContact CG-CE2 4.32Å; D1149-F1153 VanDerWaalsContact O-CD2 3.28Å; D1149-F1153 WeakPolarHBondContact O-CD2 3.4Å; D1149-F1153 VanDerWaalsContact O-CE2 3.22Å; D1149-F1153 WeakPolarHBondContact O-CE2 3.36Å; S1150-F1153 PolarHBondContact O-N 3.29Å; F1151-F1153 PolarHBondContact O-N 2.83Å; F1153-S1168 WeakPolarHBondContact O-CB 3.5Å; F1153-F1200 HydrophobicContact CB-CE1 4.14Å; F1153-F1200 HydrophobicContact CB-CE2 3.83Å; F1153-F1200 HydrophobicContact CB-CZ 3.52Å; F1153-F1200 HydrophobicContact CD1-CD1 4.39Å; F1153-F1200 AromaticContact CD1-CE1 3.95Å; F1153-F1200 HydrophobicContact CD1-CE1 3.95Å; F1153-F1200 HydrophobicContact CD1-CZ 4.21Å; F1153-F1200 HydrophobicContact CG-CE1 4.23Å; F1153-F1200 HydrophobicContact CG-CZ 4.08Å; F1153-R1201 WeakPolarHBondContact CA-O 3.28Å; F1153-K1202 HydrophobicContact CD1-CB 4.23Å; F1153-K1202 HydrophobicContact CD1-CD 4.27Å; F1153-K1202 HydrophobicContact CD2-CD 3.5Å; F1153-K1202 HydrophobicContact CE1-CB 4.05Å; F1153-K1202 HydrophobicContact CE1-CD 4.2Å; F1153-K1202 HydrophobicContact CE2-CD 3.46Å; F1153-K1202 VanDerWaalsContact CE2-CD 3.46Å; F1153-K1202 HydrophobicContact CG-CD 3.94Å; F1153-K1202 HydrophobicContact CZ-CB 4.36Å; F1153-K1202 HydrophobicContact CZ-CD 3.82Å; F1153-A1217 HydrophobicContact CE2-CB 3.98Å; F1153-A1217 HydrophobicContact CZ-CB 4.07Å; F1153-L1220 HydrophobicContact CE1-CB 4.09Å; F1153-L1220 HydrophobicContact CE1-CD1 4.18Å; F1153-L1220 HydrophobicContact CZ-CB 4.37Å; F1153-L1220 HydrophobicContact CZ-CD1 4.49Å; F1153-I1221 HydrophobicContact CE1-CG1 4.32Å; F1153-I1221 HydrophobicContact CZ-CD1 4.02Å; F1153-I1221 HydrophobicContact CZ-CG1 3.93Å |
| 1154 | S | 90.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 153.3 | -172.5 | -71.6 | 0 | 0 | 0 | 0 | 111.1 | G1167 S1168 R1201 E1203 | S1154-G1167 CarbonylContact C-O 3.56Å; S1154-G1167 VanDerWaalsContact CA-O 3.26Å; S1154-G1167 WeakPolarHBondContact CA-O 3.42Å; S1154-G1167 VanDerWaalsContact CB-C 3.42Å; S1154-G1167 VanDerWaalsContact CB-O 3.23Å; S1154-G1167 WeakPolarHBondContact CB-O 3.18Å; S1154-G1167 VanDerWaalsContact OG-C 3.24Å; S1154-G1167 WeakPolarHBondContact OG-CA 3.34Å; S1154-G1167 PolarHBondContact OG-O 3.01Å; S1154-S1168 PolarHBondContact OG-OG 2.91Å; S1154-S1168 VanDerWaalsContact OG-OG 3.12Å; S1154-R1201 PolarHBondContact N-O 3.47Å; S1154-R1201 PolarHBondContact O-N 3.25Å; S1154-R1201 VanDerWaalsContact O-N 3.17Å; S1154-E1203 WeakPolarHBondContact CB-OE2 3.43Å; S1154-E1203 PolarHBondContact OG-OE2 3.37Å |
| 1155 | V | 89.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 139 | 172.2 | 175.4 | 0 | 0 | 0 | 0 | 109.1 | M1137 L1141 L1166 G1167 I1173 L1198 F1199 F1200 | M1137-V1155 HydrophobicContact CB-CG2 4.19Å; M1137-V1155 HydrophobicContact CG-CG2 3.7Å; M1137-V1155 HydrophobicContact SD-CB 4.49Å; M1137-V1155 HydrophobicContact SD-CG1 3.95Å; M1137-V1155 HydrophobicContact SD-CG2 3.76Å; L1141-V1155 HydrophobicContact CD1-CG2 3.99Å; V1155-L1166 HydrophobicContact CB-CB 4.49Å; V1155-L1166 HydrophobicContact CG1-CD1 4.16Å; V1155-L1166 WeakPolarHBondContact O-CA 3.19Å; V1155-L1166 PolarHBondContact O-N 3.45Å; V1155-G1167 PolarHBondContact N-O 2.88Å; V1155-I1173 HydrophobicContact CG1-CD1 4.14Å; V1155-L1198 HydrophobicContact CG1-CB 4.5Å; V1155-L1198 HydrophobicContact CG1-CD2 4.11Å; V1155-F1199 CarbonylContact C-O 3.6Å; V1155-F1199 VanDerWaalsContact CA-O 3.31Å; V1155-F1199 WeakPolarHBondContact CA-O 3.39Å; V1155-F1200 HydrophobicContact CG2-CD2 4.31Å |
| 1156 | Y | 88.1 | Confident | 80.9 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 9% | 0.086 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 147.5 | 172.2 | -72.7 | -108 | 0 | 0 | 0 | 109.4 | V1163 S1164 S1165 L1198 F1199 R1201 E1203 | Y1156-V1163 HydrophobicContact CD1-CG1 4.06Å; Y1156-S1164 CarbonylContact C-O 3.59Å; Y1156-S1164 VanDerWaalsContact CA-O 3.24Å; Y1156-S1164 WeakPolarHBondContact CA-O 3.36Å; Y1156-S1164 WeakPolarHBondContact CB-O 3.5Å; Y1156-S1165 VanDerWaalsContact CD1-CA 3.43Å; Y1156-S1165 VanDerWaalsContact CE1-CB 3.41Å; Y1156-L1198 CarbonylContact O-C 3.54Å; Y1156-L1198 VanDerWaalsContact O-CA 3.31Å; Y1156-L1198 WeakPolarHBondContact O-CA 3.5Å; Y1156-F1199 PolarHBondContact N-O 3.31Å; Y1156-F1199 PolarHBondContact O-N 2.64Å; Y1156-R1201 HydrophobicContact CD2-CG 3.51Å; Y1156-R1201 HydrophobicContact CE2-CG 3.39Å; Y1156-R1201 HydrophobicContact CG-CG 4.38Å; Y1156-E1203 HydrophobicContact CE2-CB 4.42Å; Y1156-E1203 WeakPolarHBondContact OH-CB 3.42Å; Y1156-E1203 WeakPolarHBondContact OH-CG 3.48Å; Y1156-E1203 PolarHBondContact OH-OE1 2.87Å |
| 1157 | I | 84.7 | Confident | 80.5 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 142.1 | 169.6 | -166.3 | 164.3 | 0 | 0 | 0 | 109.5 | V1163 S1164 L1166 A1176 I1177 W1196 R1197 L1198 | I1157-V1163 CarbonylContact O-C 3.54Å; I1157-V1163 WeakPolarHBondContact O-CA 3.44Å; I1157-S1164 PolarHBondContact N-O 3.42Å; I1157-S1164 PolarHBondContact O-N 3.41Å; I1157-L1166 HydrophobicContact CB-CD1 4.19Å; I1157-L1166 HydrophobicContact CB-CG 4.39Å; I1157-L1166 HydrophobicContact CG2-CD1 4.44Å; I1157-L1166 HydrophobicContact CG2-CD2 3.88Å; I1157-L1166 HydrophobicContact CG2-CG 4.24Å; I1157-A1176 HydrophobicContact CD1-CB 4.07Å; I1157-A1176 HydrophobicContact CG2-CB 4.39Å; I1157-I1177 HydrophobicContact CD1-CG1 3.9Å; I1157-W1196 HydrophobicContact CD1-CB 4.17Å; I1157-W1196 HydrophobicContact CG1-CB 4.27Å; I1157-R1197 CarbonylContact C-O 3.53Å; I1157-R1197 WeakPolarHBondContact CA-O 3.2Å; I1157-L1198 HydrophobicContact CB-CD2 3.96Å; I1157-L1198 HydrophobicContact CD1-CD2 4.13Å; I1157-L1198 HydrophobicContact CG1-CD2 3.96Å |
| 1158 | A | 78.9 | Confident | 80.1 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1162 V1163 W1196 R1197 F1199 | A1158-K1162 CarbonylContact C-O 3.47Å; A1158-K1162 WeakPolarHBondContact CA-O 3.23Å; A1158-V1163 HydrophobicContact CB-CG2 3.99Å; A1158-W1196 CarbonylContact O-C 3.26Å; A1158-W1196 VanDerWaalsContact O-CA 3.25Å; A1158-W1196 WeakPolarHBondContact O-CA 3.16Å; A1158-R1197 PolarHBondContact N-O 2.74Å; A1158-R1197 PolarHBondContact O-N 3.08Å; A1158-F1199 HydrophobicContact CB-CD2 4.31Å; A1158-F1199 HydrophobicContact CB-CE2 3.7Å |
| 1159 | L | 73.2 | Confident | 79.6 | Confident | 18 Ų | 18 | 33.2 Ų | 33.2 | 9% | 0.094 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 111.4 | 169.5 | -175.7 | 69.3 | 0 | 0 | 0 | 108 | D1161 K1162 C1180 Y1183 | L1159-D1161 PolarHBondContact O-N 3.05Å; L1159-D1161 VanDerWaalsContact O-N 3.14Å; L1159-K1162 PolarHBondContact N-O 2.82Å; L1159-K1162 PolarHBondContact O-N 3.39Å; L1159-C1180 HydrophobicContact CD1-CB 4.44Å; L1159-C1180 HydrophobicContact CD2-CB 3.96Å; L1159-Y1183 HydrophobicContact CD2-CD1 3.64Å; L1159-Y1183 HydrophobicContact CD2-CE1 4.31Å; L1159-Y1183 HydrophobicContact CD2-CG 4.32Å |
| 1160 | S | 70.2 | Confident | 79.2 | Confident | 104 Ų | 104 | 34.9 Ų | 34.9 | 73% | 0.727 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | -112.3 | -169.8 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1161 | D | 64.1 | Low | 78.8 | Confident | 107 Ų | 107 | 36.7 Ų | 36.7 | 57% | 0.572 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -5.7 | -179.4 | 72.4 | -52.8 | 0 | 0 | 0 | 113.4 | K985 L1159 | K985-D1161 PolarHBondContact NZ-O 2.88Å; K985-D1161 IonicContact NZ-OD2 3.1Å; K985-D1161 PolarHBondContact NZ-OD2 3.17Å; L1159-D1161 PolarHBondContact O-N 3.05Å; L1159-D1161 VanDerWaalsContact O-N 3.14Å |
| 1162 | K | 61.2 | Low | 78.6 | Confident | 26 Ų | 26 | 34.1 Ų | 34.1 | 11% | 0.113 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.3 | -177.1 | -47.4 | -157 | -174.2 | -165.7 | 0 | 109.5 | L967 K985 A1158 L1159 Y1183 | L967-K1162 PolarHBondContact O-NZ 2.69Å; K985-K1162 HydrophobicContact CD-CB 4.32Å; K985-K1162 HydrophobicContact CD-CG 4.25Å; A1158-K1162 CarbonylContact C-O 3.47Å; A1158-K1162 WeakPolarHBondContact CA-O 3.23Å; L1159-K1162 PolarHBondContact N-O 2.82Å; L1159-K1162 PolarHBondContact O-N 3.39Å; K1162-Y1183 WeakPolarHBondContact CE-OH 3.33Å; K1162-Y1183 PolarHBondContact NZ-OH 2.91Å |
| 1163 | V | 66.7 | Low | 78.6 | Confident | 72 Ų | 72 | 33.8 Ų | 33.8 | 44% | 0.436 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 138.8 | 174.6 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | Y1156 I1157 A1158 | Y1156-V1163 HydrophobicContact CD1-CG1 4.06Å; I1157-V1163 CarbonylContact O-C 3.54Å; I1157-V1163 WeakPolarHBondContact O-CA 3.44Å; A1158-V1163 HydrophobicContact CB-CG2 3.99Å |
| 1164 | S | 68.3 | Low | 78.4 | Confident | 29 Ų | 29 | 33.8 Ų | 33.8 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 140.4 | 179.9 | -56.1 | 0 | 0 | 0 | 0 | 110.5 | Y1156 I1157 | Y1156-S1164 CarbonylContact C-O 3.59Å; Y1156-S1164 VanDerWaalsContact CA-O 3.24Å; Y1156-S1164 WeakPolarHBondContact CA-O 3.36Å; Y1156-S1164 WeakPolarHBondContact CB-O 3.5Å; I1157-S1164 PolarHBondContact N-O 3.42Å; I1157-S1164 PolarHBondContact O-N 3.41Å |
| 1165 | S | 79.1 | Confident | 78.2 | Confident | 43 Ų | 43 | 34.1 Ų | 34.1 | 30% | 0.301 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 138.9 | 171.5 | -162.8 | 0 | 0 | 0 | 0 | 109.7 | Y1156 G1167 E1203 | Y1156-S1165 VanDerWaalsContact CD1-CA 3.43Å; Y1156-S1165 VanDerWaalsContact CE1-CB 3.41Å; S1165-G1167 PolarHBondContact OG-N 3.12Å; S1165-E1203 WeakPolarHBondContact CB-OE1 3.43Å; S1165-E1203 PolarHBondContact OG-OE1 3.44Å |
| 1166 | L | 76.9 | Confident | 77.8 | Confident | 12 Ų | 12 | 34.7 Ų | 34.7 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | trans | -103.1 | 7 | 161.1 | -51.1 | -174.3 | 0 | 0 | 0 | 110.4 | A1134 V1155 I1157 I1173 A1176 L1198 | A1134-L1166 HydrophobicContact CB-CB 4.32Å; A1134-L1166 WeakPolarHBondContact CB-O 3.25Å; V1155-L1166 HydrophobicContact CB-CB 4.49Å; V1155-L1166 HydrophobicContact CG1-CD1 4.16Å; V1155-L1166 WeakPolarHBondContact O-CA 3.19Å; V1155-L1166 PolarHBondContact O-N 3.45Å; I1157-L1166 HydrophobicContact CB-CD1 4.19Å; I1157-L1166 HydrophobicContact CB-CG 4.39Å; I1157-L1166 HydrophobicContact CG2-CD1 4.44Å; I1157-L1166 HydrophobicContact CG2-CD2 3.88Å; I1157-L1166 HydrophobicContact CG2-CG 4.24Å; L1166-I1173 HydrophobicContact CB-CD1 4.43Å; L1166-I1173 HydrophobicContact CD1-CD1 3.62Å; L1166-A1176 HydrophobicContact CD1-CB 3.95Å; L1166-A1176 HydrophobicContact CD2-CB 3.46Å; L1166-A1176 VanDerWaalsContact CD2-CB 3.46Å; L1166-A1176 HydrophobicContact CG-CB 4.38Å; L1166-L1198 HydrophobicContact CD1-CD2 4.16Å | ||
| 1167 | G | 77.6 | Confident | 77.6 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | -144.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1154 V1155 S1165 | S1154-G1167 CarbonylContact C-O 3.56Å; S1154-G1167 VanDerWaalsContact CA-O 3.26Å; S1154-G1167 WeakPolarHBondContact CA-O 3.42Å; S1154-G1167 VanDerWaalsContact CB-C 3.42Å; S1154-G1167 VanDerWaalsContact CB-O 3.23Å; S1154-G1167 WeakPolarHBondContact CB-O 3.18Å; S1154-G1167 VanDerWaalsContact OG-C 3.24Å; S1154-G1167 WeakPolarHBondContact OG-CA 3.34Å; S1154-G1167 PolarHBondContact OG-O 3.01Å; V1155-G1167 PolarHBondContact N-O 2.88Å; S1165-G1167 PolarHBondContact OG-N 3.12Å |
| 1168 | S | 80.5 | Confident | 77.4 | Confident | 41 Ų | 41 | 33.2 Ų | 33.2 | 29% | 0.287 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.7 | 25.4 | -179.9 | 34.6 | 0 | 0 | 0 | 0 | 110.9 | Q1135 F1153 S1154 | Q1135-S1168 WeakPolarHBondContact CA-O 3.4Å; Q1135-S1168 VanDerWaalsContact CB-O 3.28Å; Q1135-S1168 WeakPolarHBondContact CB-O 3.2Å; F1153-S1168 WeakPolarHBondContact O-CB 3.5Å; S1154-S1168 PolarHBondContact OG-OG 2.91Å; S1154-S1168 VanDerWaalsContact OG-OG 3.12Å |
| 1169 | G | 78.5 | Confident | 77.2 | Confident | 19 Ų | 19 | 35.6 Ų | 35.6 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -107.8 | -160.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A1134 Q1135 E1171 | A1134-G1169 PolarHBondContact N-O 2.87Å; Q1135-G1169 WeakPolarHBondContact CB-O 3.43Å; Q1135-G1169 PolarHBondContact N-O 2.7Å; G1169-E1171 PolarHBondContact O-N 3.11Å |
| 1170 | A | 78.7 | Confident | 77.3 | Confident | 71 Ų | 71 | 35.2 Ų | 35.2 | 59% | 0.587 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -76 | 18.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1171 | E | 80.2 | Confident | 77.5 | Confident | 99 Ų | 99 | 31.5 Ų | 31.5 | 46% | 0.463 | 19% | 0.189 | S | C | . | . | trans | -73.5 | 131.1 | 178.9 | -64.1 | -175.1 | -165.9 | 0 | 0 | 110.9 | T1133 A1134 G1169 I1173 | T1133-E1171 CarbonylContact C-O 3.5Å; T1133-E1171 WeakPolarHBondContact CA-O 3.28Å; A1134-E1171 PolarHBondContact N-O 3.28Å; G1169-E1171 PolarHBondContact O-N 3.11Å; E1171-I1173 PolarHBondContact O-N 3.01Å | ||
| 1172 | H | 84.3 | Confident | 77.9 | Confident | 18 Ų | 18 | 27.8 Ų | 27.8 | 8% | 0.083 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -78.7 | 118.4 | -179.7 | -70.8 | 102.5 | 0 | 0 | 0 | 111.3 | A1131 L1174 D1175 | A1131-H1172 PolarHBondContact O-CD2 3.41Å; H1172-L1174 PolarHBondContact O-N 3.46Å; H1172-L1174 VanDerWaalsContact O-N 3.12Å; H1172-D1175 HydrophobicContact CB-CB 4.26Å; H1172-D1175 WeakPolarHBondContact O-CB 3.22Å; H1172-D1175 PolarHBondContact O-N 3.21Å |
| 1173 | I | 88.1 | Confident | 78 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.6 | -36.9 | -177.9 | -60.7 | -64.4 | 0 | 0 | 0 | 112 | L1114 I1132 A1134 M1137 V1155 L1166 E1171 D1175 A1176 I1177 L1198 | L1114-I1173 HydrophobicContact CD1-CG2 4.17Å; I1132-I1173 HydrophobicContact CG2-CB 4.18Å; I1132-I1173 HydrophobicContact CG2-CG1 4.36Å; I1132-I1173 PolarHBondContact O-N 3.21Å; I1132-I1173 VanDerWaalsContact O-N 3.1Å; A1134-I1173 HydrophobicContact CB-CD1 4.01Å; M1137-I1173 HydrophobicContact CE-CG1 4.09Å; M1137-I1173 HydrophobicContact CE-CG2 4.24Å; M1137-I1173 HydrophobicContact SD-CD1 3.93Å; M1137-I1173 HydrophobicContact SD-CG1 4.12Å; V1155-I1173 HydrophobicContact CG1-CD1 4.14Å; L1166-I1173 HydrophobicContact CB-CD1 4.43Å; L1166-I1173 HydrophobicContact CD1-CD1 3.62Å; E1171-I1173 PolarHBondContact O-N 3.01Å; I1173-D1175 VanDerWaalsContact C-N 3.34Å; I1173-D1175 PolarHBondContact O-N 3.02Å; I1173-A1176 PolarHBondContact O-N 3.1Å; I1173-I1177 HydrophobicContact CG2-CD1 3.95Å; I1173-I1177 PolarHBondContact O-N 2.7Å; I1173-L1198 HydrophobicContact CG2-CD1 3.96Å; I1173-L1198 HydrophobicContact CG2-CD2 4.32Å |
| 1174 | L | 88 | Confident | 78 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -77.2 | -14.7 | -179.1 | -70.1 | 161.2 | 0 | 0 | 0 | 114.1 | R1094 L1112 D1129 H1172 I1177 S1178 | R1094-L1174 VanDerWaalsContact CZ-CB 3.45Å; R1094-L1174 PolarHBondContact NH2-O 2.83Å; L1112-L1174 HydrophobicContact CD1-CD1 3.89Å; D1129-L1174 WeakPolarHBondContact O-CD1 3.47Å; H1172-L1174 PolarHBondContact O-N 3.46Å; H1172-L1174 VanDerWaalsContact O-N 3.12Å; L1174-I1177 HydrophobicContact CD2-CB 4.5Å; L1174-I1177 HydrophobicContact CD2-CD1 3.93Å; L1174-S1178 VanDerWaalsContact O-CB 3.27Å; L1174-S1178 WeakPolarHBondContact O-CB 3.43Å; L1174-S1178 PolarHBondContact O-N 3.01Å |
| 1175 | D | 84.7 | Confident | 77.8 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.9 | -38.1 | 168.1 | -76.9 | -19.2 | 0 | 0 | 0 | 110.9 | R1094 S1095 Q1096 H1172 I1173 Q1179 | R1094-D1175 WeakPolarHBondContact CD-OD1 3.46Å; R1094-D1175 IonicContact CZ-OD1 3.59Å; R1094-D1175 IonicContact NE-OD1 2.78Å; R1094-D1175 PolarHBondContact NE-OD1 2.9Å; R1094-D1175 IonicContact NH2-OD1 3.52Å; S1095-D1175 WeakPolarHBondContact CA-OD2 3.48Å; S1095-D1175 WeakPolarHBondContact CB-OD2 3.26Å; S1095-D1175 PolarHBondContact N-OD1 2.98Å; S1095-D1175 PolarHBondContact N-OD2 3.17Å; S1095-D1175 VanDerWaalsContact OG-CG 3.23Å; S1095-D1175 PolarHBondContact OG-OD2 3.43Å; Q1096-D1175 HydrophobicContact CB-CB 4.11Å; Q1096-D1175 WeakPolarHBondContact CB-OD1 3.11Å; Q1096-D1175 HydrophobicContact CG-CB 3.98Å; Q1096-D1175 PolarHBondContact N-OD1 2.85Å; H1172-D1175 HydrophobicContact CB-CB 4.26Å; H1172-D1175 WeakPolarHBondContact O-CB 3.22Å; H1172-D1175 PolarHBondContact O-N 3.21Å; I1173-D1175 VanDerWaalsContact C-N 3.34Å; I1173-D1175 PolarHBondContact O-N 3.02Å; D1175-Q1179 WeakPolarHBondContact O-CG 2.98Å; D1175-Q1179 PolarHBondContact O-N 2.71Å; D1175-Q1179 VanDerWaalsContact O-N 3.08Å; D1175-Q1179 PolarHBondContact O-NE2 3.33Å |
| 1176 | A | 81.3 | Confident | 76.8 | Confident | 11 Ų | 11 | 32.2 Ų | 32.2 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.4 | -44.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1157 L1166 I1173 S1178 Q1179 C1180 | I1157-A1176 HydrophobicContact CD1-CB 4.07Å; I1157-A1176 HydrophobicContact CG2-CB 4.39Å; L1166-A1176 HydrophobicContact CD1-CB 3.95Å; L1166-A1176 HydrophobicContact CD2-CB 3.46Å; L1166-A1176 VanDerWaalsContact CD2-CB 3.46Å; L1166-A1176 HydrophobicContact CG-CB 4.38Å; I1173-A1176 PolarHBondContact O-N 3.1Å; A1176-S1178 VanDerWaalsContact C-N 3.35Å; A1176-S1178 PolarHBondContact O-N 2.92Å; A1176-Q1179 WeakPolarHBondContact O-CB 3.42Å; A1176-Q1179 PolarHBondContact O-N 3.4Å; A1176-Q1179 VanDerWaalsContact O-N 3.13Å; A1176-C1180 PolarHBondContact O-N 3.14Å; A1176-C1180 PolarHBondContact O-SG 3.34Å; A1176-C1180 VanDerWaalsContact O-SG 3.42Å |
| 1177 | I | 84 | Confident | 76.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 175.4 | -68.6 | 165.8 | 0 | 0 | 0 | 111.2 | L1114 I1157 I1173 L1174 Q1179 C1180 E1181 W1196 | L1114-I1177 HydrophobicContact CD2-CD1 3.97Å; I1157-I1177 HydrophobicContact CD1-CG1 3.9Å; I1173-I1177 HydrophobicContact CG2-CD1 3.95Å; I1173-I1177 PolarHBondContact O-N 2.7Å; L1174-I1177 HydrophobicContact CD2-CB 4.5Å; L1174-I1177 HydrophobicContact CD2-CD1 3.93Å; I1177-Q1179 VanDerWaalsContact C-N 3.31Å; I1177-Q1179 PolarHBondContact O-N 2.7Å; I1177-C1180 PolarHBondContact O-N 2.92Å; I1177-E1181 HydrophobicContact CG2-CG 4.49Å; I1177-E1181 WeakPolarHBondContact O-CG 3.49Å; I1177-E1181 PolarHBondContact O-N 3.49Å; I1177-W1196 HydrophobicContact CD1-CD2 4.22Å; I1177-W1196 HydrophobicContact CD1-CE3 3.95Å; I1177-W1196 HydrophobicContact CD1-CH2 3.64Å; I1177-W1196 HydrophobicContact CD1-CZ2 3.89Å; I1177-W1196 HydrophobicContact CD1-CZ3 3.66Å; I1177-W1196 HydrophobicContact CG1-CD2 3.86Å; I1177-W1196 HydrophobicContact CG1-CE3 3.93Å; I1177-W1196 HydrophobicContact CG1-CG 4.41Å; I1177-W1196 HydrophobicContact CG1-CH2 4.34Å; I1177-W1196 HydrophobicContact CG1-CZ2 4.25Å; I1177-W1196 HydrophobicContact CG1-CZ3 4.18Å; I1177-W1196 HydrophobicContact CG2-CD2 4.22Å; I1177-W1196 HydrophobicContact CG2-CZ2 3.93Å |
| 1178 | S | 80.2 | Confident | 75 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.7 | -36 | 175 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | P1097 L1174 A1176 Q1182 | P1097-S1178 WeakPolarHBondContact O-CB 3.37Å; P1097-S1178 PolarHBondContact O-OG 2.73Å; L1174-S1178 VanDerWaalsContact O-CB 3.27Å; L1174-S1178 WeakPolarHBondContact O-CB 3.43Å; L1174-S1178 PolarHBondContact O-N 3.01Å; A1176-S1178 VanDerWaalsContact C-N 3.35Å; A1176-S1178 PolarHBondContact O-N 2.92Å; S1178-Q1182 WeakPolarHBondContact O-CB 3.42Å; S1178-Q1182 VanDerWaalsContact O-CG 3.24Å; S1178-Q1182 WeakPolarHBondContact O-CG 3.18Å; S1178-Q1182 PolarHBondContact O-N 2.88Å; S1178-Q1182 PolarHBondContact O-NE2 3.07Å; S1178-Q1182 PolarHBondContact OG-NE2 2.89Å |
| 1179 | Q | 76.2 | Confident | 73.8 | Confident | 63 Ų | 63 | 38.9 Ų | 38.9 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.4 | -43 | 172.9 | -76.1 | 164.8 | 91.1 | 0 | 0 | 112.2 | L967 Q1096 D1175 A1176 I1177 E1181 Q1182 Y1183 | L967-Q1179 HydrophobicContact CD1-CB 4.14Å; Q1096-Q1179 HydrophobicContact CG-CG 3.88Å; D1175-Q1179 WeakPolarHBondContact O-CG 2.98Å; D1175-Q1179 PolarHBondContact O-N 2.71Å; D1175-Q1179 VanDerWaalsContact O-N 3.08Å; D1175-Q1179 PolarHBondContact O-NE2 3.33Å; A1176-Q1179 WeakPolarHBondContact O-CB 3.42Å; A1176-Q1179 PolarHBondContact O-N 3.4Å; A1176-Q1179 VanDerWaalsContact O-N 3.13Å; I1177-Q1179 VanDerWaalsContact C-N 3.31Å; I1177-Q1179 PolarHBondContact O-N 2.7Å; Q1179-E1181 PolarHBondContact O-N 2.83Å; Q1179-Q1182 PolarHBondContact O-N 3.28Å; Q1179-Y1183 VanDerWaalsContact O-CB 3.29Å; Q1179-Y1183 WeakPolarHBondContact O-CB 3.46Å; Q1179-Y1183 PolarHBondContact O-N 3.1Å |
| 1180 | C | 75.4 | Confident | 72.3 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 7% | 0.068 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 175.6 | -69.2 | 0 | 0 | 0 | 0 | 112.5 | L1159 A1176 I1177 Y1183 A1184 W1196 | L1159-C1180 HydrophobicContact CD1-CB 4.44Å; L1159-C1180 HydrophobicContact CD2-CB 3.96Å; A1176-C1180 PolarHBondContact O-N 3.14Å; A1176-C1180 PolarHBondContact O-SG 3.34Å; A1176-C1180 VanDerWaalsContact O-SG 3.42Å; I1177-C1180 PolarHBondContact O-N 2.92Å; C1180-Y1183 PolarHBondContact O-N 2.86Å; C1180-A1184 WeakPolarHBondContact O-CB 3.19Å; C1180-A1184 PolarHBondContact O-N 3.23Å; C1180-W1196 HydrophobicContact CB-CB 4.32Å |
| 1181 | E | 74.6 | Confident | 70.8 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 12% | 0.121 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.8 | -40.8 | 176.4 | -69.4 | 175.3 | -173.3 | 0 | 0 | 112.8 | S1099 Y1100 Y1101 I1177 Q1179 A1184 R1185 | S1099-E1181 VanDerWaalsContact CA-OE2 3.25Å; S1099-E1181 WeakPolarHBondContact CA-OE2 3.47Å; S1099-E1181 VanDerWaalsContact CB-CD 3.48Å; S1099-E1181 VanDerWaalsContact CB-OE1 3.26Å; S1099-E1181 WeakPolarHBondContact CB-OE1 3.36Å; S1099-E1181 WeakPolarHBondContact CB-OE2 3.24Å; S1099-E1181 PolarHBondContact OG-OE1 2.81Å; S1099-E1181 PolarHBondContact OG-OE2 2.89Å; Y1100-E1181 WeakPolarHBondContact CB-OE2 3.34Å; Y1100-E1181 PolarHBondContact N-OE1 3Å; Y1100-E1181 PolarHBondContact N-OE2 2.83Å; Y1101-E1181 WeakPolarHBondContact CB-OE1 3.25Å; Y1101-E1181 PolarHBondContact N-OE1 2.89Å; Y1101-E1181 VanDerWaalsContact N-OE1 3.07Å; I1177-E1181 HydrophobicContact CG2-CG 4.49Å; I1177-E1181 WeakPolarHBondContact O-CG 3.49Å; I1177-E1181 PolarHBondContact O-N 3.49Å; Q1179-E1181 PolarHBondContact O-N 2.83Å; E1181-A1184 PolarHBondContact O-N 2.82Å; E1181-R1185 PolarHBondContact O-N 2.97Å; E1181-R1185 VanDerWaalsContact O-N 3.17Å |
| 1182 | Q | 71.2 | Confident | 69.3 | Low | 29 Ų | 29 | 51 Ų | 51 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 174.6 | -76.4 | 178.6 | 73.6 | 0 | 0 | 111.6 | S933 S1178 Q1179 R1186 | S933-Q1182 PolarHBondContact OG-OE1 2.97Å; S1178-Q1182 WeakPolarHBondContact O-CB 3.42Å; S1178-Q1182 VanDerWaalsContact O-CG 3.24Å; S1178-Q1182 WeakPolarHBondContact O-CG 3.18Å; S1178-Q1182 PolarHBondContact O-N 2.88Å; S1178-Q1182 PolarHBondContact O-NE2 3.07Å; S1178-Q1182 PolarHBondContact OG-NE2 2.89Å; Q1179-Q1182 PolarHBondContact O-N 3.28Å; Q1182-R1186 WeakPolarHBondContact O-CB 3.36Å; Q1182-R1186 PolarHBondContact O-N 3.01Å |
| 1183 | Y | 64.3 | Low | 67.6 | Low | 33 Ų | 33 | 57.8 Ų | 57.8 | 13% | 0.129 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -49 | 173.7 | 179.2 | -84.8 | 0 | 0 | 0 | 111.3 | L967 H968 L1159 K1162 Q1179 C1180 R1185 R1186 I1187 | L967-Y1183 HydrophobicContact CB-CD2 4Å; L967-Y1183 HydrophobicContact CB-CE2 4.37Å; L967-Y1183 WeakPolarHBondContact O-CE2 3.49Å; H968-Y1183 AromaticContact CE1-CD2 3.14Å; H968-Y1183 WeakPolarHBondContact CE1-CD2 3.47Å; H968-Y1183 AromaticContact CE1-CE2 3.57Å; H968-Y1183 AromaticContact CE1-CG 3.96Å; H968-Y1183 AromaticContact CG-CD2 3.99Å; H968-Y1183 AromaticContact CG-CE2 3.93Å; H968-Y1183 AromaticContact ND1-CD2 3.41Å; H968-Y1183 WeakPolarHBondContact ND1-CD2 3.32Å; H968-Y1183 AromaticContact ND1-CE2 3.31Å; H968-Y1183 VanDerWaalsContact ND1-CE2 3.31Å; H968-Y1183 WeakPolarHBondContact ND1-CE2 3.26Å; H968-Y1183 AromaticContact NE2-CD2 3.64Å; L1159-Y1183 HydrophobicContact CD2-CD1 3.64Å; L1159-Y1183 HydrophobicContact CD2-CE1 4.31Å; L1159-Y1183 HydrophobicContact CD2-CG 4.32Å; K1162-Y1183 WeakPolarHBondContact CE-OH 3.33Å; K1162-Y1183 PolarHBondContact NZ-OH 2.91Å; Q1179-Y1183 VanDerWaalsContact O-CB 3.29Å; Q1179-Y1183 WeakPolarHBondContact O-CB 3.46Å; Q1179-Y1183 PolarHBondContact O-N 3.1Å; C1180-Y1183 PolarHBondContact O-N 2.86Å; Y1183-R1185 VanDerWaalsContact C-N 3.35Å; Y1183-R1185 PolarHBondContact O-N 2.67Å; Y1183-R1186 PolarHBondContact O-N 3.44Å; Y1183-R1186 VanDerWaalsContact O-N 3.1Å; Y1183-I1187 HydrophobicContact CD1-CD1 4.42Å; Y1183-I1187 HydrophobicContact CD1-CG2 4.48Å; Y1183-I1187 HydrophobicContact CE1-CD1 3.95Å; Y1183-I1187 HydrophobicContact CE1-CG2 3.98Å; Y1183-I1187 PolarHBondContact O-N 2.86Å |
| 1184 | A | 66.3 | Low | 65.9 | Low | 11 Ų | 11 | 60.5 Ų | 60.5 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.3 | -43.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | C1180 E1181 I1187 L1194 | C1180-A1184 WeakPolarHBondContact O-CB 3.19Å; C1180-A1184 PolarHBondContact O-N 3.23Å; E1181-A1184 PolarHBondContact O-N 2.82Å; A1184-I1187 WeakPolarHBondContact O-CG1 3.49Å; A1184-L1194 HydrophobicContact CB-CB 4.26Å; A1184-L1194 HydrophobicContact CB-CD1 3.63Å |
| 1185 | R | 64.3 | Low | 64.7 | Low | 117 Ų | 117 | 67.2 Ų | 67.2 | 44% | 0.442 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 174.9 | -70.5 | -179.8 | -179.9 | 151.6 | 3.2 | 112.4 | E1181 Y1183 I1187 G1188 | E1181-R1185 PolarHBondContact O-N 2.97Å; E1181-R1185 VanDerWaalsContact O-N 3.17Å; Y1183-R1185 VanDerWaalsContact C-N 3.35Å; Y1183-R1185 PolarHBondContact O-N 2.67Å; R1185-I1187 VanDerWaalsContact C-N 3.26Å; R1185-I1187 PolarHBondContact O-N 2.86Å; R1185-G1188 PolarHBondContact O-N 2.74Å; R1185-G1188 VanDerWaalsContact O-N 3.07Å |
| 1186 | R | 57.9 | Low | 64.4 | Low | 101 Ų | 101 | 68 Ų | 68 | 38% | 0.381 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.9 | -20.7 | -176.6 | -169.9 | 174 | 174.6 | -151.6 | 1.9 | 113.8 | H968 Q1182 Y1183 G1188 | H968-R1186 PolarHBondContact CD2-NH1 2.86Å; H968-R1186 PolarHBondContact NE2-NH1 2.86Å; H968-R1186 VanDerWaalsContact NE2-NH1 3.15Å; Q1182-R1186 WeakPolarHBondContact O-CB 3.36Å; Q1182-R1186 PolarHBondContact O-N 3.01Å; Y1183-R1186 PolarHBondContact O-N 3.44Å; Y1183-R1186 VanDerWaalsContact O-N 3.1Å; R1186-G1188 VanDerWaalsContact C-N 3.31Å |
| 1187 | I | 61.6 | Low | 64.6 | Low | 98 Ų | 98 | 74.8 Ų | 74.8 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 11.6 | 172.2 | 64.1 | 167 | 0 | 0 | 0 | 113.5 | Y1183 A1184 R1185 S1189 | Y1183-I1187 HydrophobicContact CD1-CD1 4.42Å; Y1183-I1187 HydrophobicContact CD1-CG2 4.48Å; Y1183-I1187 HydrophobicContact CE1-CD1 3.95Å; Y1183-I1187 HydrophobicContact CE1-CG2 3.98Å; Y1183-I1187 PolarHBondContact O-N 2.86Å; A1184-I1187 WeakPolarHBondContact O-CG1 3.49Å; R1185-I1187 VanDerWaalsContact C-N 3.26Å; R1185-I1187 PolarHBondContact O-N 2.86Å; I1187-S1189 VanDerWaalsContact C-N 3.27Å; I1187-S1189 PolarHBondContact O-N 2.95Å |
| 1188 | G | 55.2 | Low | 64.8 | Low | 57 Ų | 57 | 74.8 Ų | 74.8 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 10.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1185 R1186 K1190 | R1185-G1188 PolarHBondContact O-N 2.74Å; R1185-G1188 VanDerWaalsContact O-N 3.07Å; R1186-G1188 VanDerWaalsContact C-N 3.31Å; G1188-K1190 PolarHBondContact O-N 2.76Å |
| 1189 | S | 54.7 | Low | 65.2 | Low | 42 Ų | 42 | 77.2 Ų | 77.2 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | trans | -67.2 | 122.7 | 175.3 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | I1187 L1194 | I1187-S1189 VanDerWaalsContact C-N 3.27Å; I1187-S1189 PolarHBondContact O-N 2.95Å; S1189-L1194 WeakPolarHBondContact OG-CD1 3.44Å | ||
| 1190 | K | 47.2 | Very low | 66 | Low | 204 Ų | 204 | 74.3 Ų | 74.3 | 89% | 0.887 | 35% | 0.353 | S | S | * | . | trans | -85.8 | -8.8 | -179.6 | -67.2 | -174.4 | 177.8 | -179.4 | 0 | 113.5 | G1188 E1192 | G1188-K1190 PolarHBondContact O-N 2.76Å; K1190-E1192 PolarHBondContact O-N 2.93Å | ||
| 1191 | D | 46.2 | Very low | 66.7 | Low | 117 Ų | 117 | 75.5 Ų | 75.5 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | trans | -76.9 | 115 | 176.7 | -75.7 | -53.8 | 0 | 0 | 0 | 111.3 | F1193 | D1191-F1193 PolarHBondContact O-N 2.88Š| ||
| 1192 | E | 49.2 | Very low | 67.5 | Low | 122 Ų | 122 | 74.3 Ų | 74.3 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 4.7 | 171.2 | -60.7 | -158.9 | 155.2 | 0 | 0 | 113.9 | Y1100 K1190 | Y1100-E1192 HydrophobicContact CE1-CB 4.2Å; Y1100-E1192 PolarHBondContact OH-OE2 2.85Å; K1190-E1192 PolarHBondContact O-N 2.93Å |
| 1193 | F | 48.8 | Very low | 68.4 | Low | 161 Ų | 161 | 73.5 Ų | 73.5 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | 22.8 | -166.6 | -62.1 | -75.6 | 0 | 0 | 0 | 114.2 | D1191 Q1195 | D1191-F1193 PolarHBondContact O-N 2.88Å; F1193-Q1195 VanDerWaalsContact C-N 3.32Å; F1193-Q1195 PolarHBondContact O-N 3.07Å |
| 1194 | L | 52 | Low | 69.7 | Low | 59 Ų | 59 | 72.1 Ų | 72.1 | 31% | 0.309 | 34% | 0.342 | S | S | . | . | trans | -64.9 | 90 | 171 | -88.3 | 170.2 | 0 | 0 | 0 | 111.2 | A1184 S1189 W1196 | A1184-L1194 HydrophobicContact CB-CB 4.26Å; A1184-L1194 HydrophobicContact CB-CD1 3.63Å; S1189-L1194 WeakPolarHBondContact OG-CD1 3.44Å; L1194-W1196 PolarHBondContact O-N 2.96Å | ||
| 1195 | Q | 64.4 | Low | 70.9 | Confident | 142 Ų | 142 | 71.6 Ų | 71.6 | 66% | 0.664 | 34% | 0.338 | S | S | * | . | trans | -71.3 | 98.9 | -178 | -71.3 | -177.6 | 0.8 | 0 | 0 | 111.5 | F1193 | F1193-Q1195 VanDerWaalsContact C-N 3.32Å; F1193-Q1195 PolarHBondContact O-N 3.07Å | ||
| 1196 | W | 78.5 | Confident | 72.2 | Confident | 26 Ų | 26 | 66.4 Ų | 66.4 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | trans | -52.6 | 148.7 | 151.5 | 48.2 | -93.4 | 0 | 0 | 0 | 110.2 | Y1101 L1114 I1157 A1158 I1177 C1180 L1194 L1198 | Y1101-W1196 HydrophobicContact CD1-CH2 4.18Å; Y1101-W1196 AromaticContact CD1-CZ2 3.82Å; Y1101-W1196 HydrophobicContact CD1-CZ2 3.82Å; Y1101-W1196 HydrophobicContact CD2-CZ2 4.03Å; Y1101-W1196 HydrophobicContact CE1-CH2 4.11Å; Y1101-W1196 HydrophobicContact CE1-CZ2 4.13Å; Y1101-W1196 HydrophobicContact CE2-CZ2 4.32Å; Y1101-W1196 AromaticContact CG-CZ2 3.79Å; Y1101-W1196 HydrophobicContact CG-CZ2 3.79Å; L1114-W1196 HydrophobicContact CD2-CH2 4.06Å; L1114-W1196 HydrophobicContact CD2-CZ3 4.49Å; I1157-W1196 HydrophobicContact CD1-CB 4.17Å; I1157-W1196 HydrophobicContact CG1-CB 4.27Å; A1158-W1196 CarbonylContact O-C 3.26Å; A1158-W1196 VanDerWaalsContact O-CA 3.25Å; A1158-W1196 WeakPolarHBondContact O-CA 3.16Å; I1177-W1196 HydrophobicContact CD1-CD2 4.22Å; I1177-W1196 HydrophobicContact CD1-CE3 3.95Å; I1177-W1196 HydrophobicContact CD1-CH2 3.64Å; I1177-W1196 HydrophobicContact CD1-CZ2 3.89Å; I1177-W1196 HydrophobicContact CD1-CZ3 3.66Å; I1177-W1196 HydrophobicContact CG1-CD2 3.86Å; I1177-W1196 HydrophobicContact CG1-CE3 3.93Å; I1177-W1196 HydrophobicContact CG1-CG 4.41Å; I1177-W1196 HydrophobicContact CG1-CH2 4.34Å; I1177-W1196 HydrophobicContact CG1-CZ2 4.25Å; I1177-W1196 HydrophobicContact CG1-CZ3 4.18Å; I1177-W1196 HydrophobicContact CG2-CD2 4.22Å; I1177-W1196 HydrophobicContact CG2-CZ2 3.93Å; C1180-W1196 HydrophobicContact CB-CB 4.32Å; L1194-W1196 PolarHBondContact O-N 2.96Å; W1196-L1198 HydrophobicContact CE3-CG 4.34Å; W1196-L1198 HydrophobicContact CZ3-CD1 4.23Å; W1196-L1198 HydrophobicContact CZ3-CG 4.25Å | ||
| 1197 | R | 83.9 | Confident | 73.7 | Confident | 152 Ų | 152 | 62 Ų | 62 | 57% | 0.574 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.4 | 178 | -65.8 | -178 | -177.8 | 175 | 1.2 | 110.4 | I1157 A1158 F1199 | I1157-R1197 CarbonylContact C-O 3.53Å; I1157-R1197 WeakPolarHBondContact CA-O 3.2Å; A1158-R1197 PolarHBondContact N-O 2.74Å; A1158-R1197 PolarHBondContact O-N 3.08Å; R1197-F1199 HydrophobicContact CB-CD2 4.48Å; R1197-F1199 HydrophobicContact CB-CE2 3.6Å; R1197-F1199 HydrophobicContact CB-CZ 3.95Å |
| 1198 | L | 88.8 | Confident | 75.1 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 141.6 | 174.8 | -61.5 | 171.1 | 0 | 0 | 0 | 110.3 | L1114 V1116 T1117 M1137 V1155 Y1156 I1157 L1166 I1173 W1196 | L1114-L1198 HydrophobicContact CB-CD1 4.2Å; V1116-L1198 WeakPolarHBondContact CA-O 3.21Å; V1116-L1198 HydrophobicContact CB-CB 4.36Å; V1116-L1198 HydrophobicContact CG1-CB 4.2Å; V1116-L1198 HydrophobicContact CG2-CB 3.98Å; V1116-L1198 HydrophobicContact CG2-CD1 4.22Å; T1117-L1198 PolarHBondContact N-O 3.43Å; M1137-L1198 HydrophobicContact CE-CD1 4.09Å; M1137-L1198 HydrophobicContact SD-CD1 4.15Å; V1155-L1198 HydrophobicContact CG1-CB 4.5Å; V1155-L1198 HydrophobicContact CG1-CD2 4.11Å; Y1156-L1198 CarbonylContact O-C 3.54Å; Y1156-L1198 VanDerWaalsContact O-CA 3.31Å; Y1156-L1198 WeakPolarHBondContact O-CA 3.5Å; I1157-L1198 HydrophobicContact CB-CD2 3.96Å; I1157-L1198 HydrophobicContact CD1-CD2 4.13Å; I1157-L1198 HydrophobicContact CG1-CD2 3.96Å; L1166-L1198 HydrophobicContact CD1-CD2 4.16Å; I1173-L1198 HydrophobicContact CG2-CD1 3.96Å; I1173-L1198 HydrophobicContact CG2-CD2 4.32Å; W1196-L1198 HydrophobicContact CE3-CG 4.34Å; W1196-L1198 HydrophobicContact CZ3-CD1 4.23Å; W1196-L1198 HydrophobicContact CZ3-CG 4.25Å |
| 1199 | F | 89 | Confident | 76.8 | Confident | 51 Ų | 51 | 58.4 Ų | 58.4 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 154.7 | 179.5 | -61.6 | -92.9 | 0 | 0 | 0 | 111 | T1117 V1155 Y1156 A1158 R1197 | T1117-F1199 HydrophobicContact CG2-CD1 4.14Å; T1117-F1199 HydrophobicContact CG2-CE1 4.1Å; T1117-F1199 CarbonylContact O-C 3.51Å; T1117-F1199 VanDerWaalsContact O-CA 3.23Å; T1117-F1199 WeakPolarHBondContact O-CA 3.1Å; V1155-F1199 CarbonylContact C-O 3.6Å; V1155-F1199 VanDerWaalsContact CA-O 3.31Å; V1155-F1199 WeakPolarHBondContact CA-O 3.39Å; Y1156-F1199 PolarHBondContact N-O 3.31Å; Y1156-F1199 PolarHBondContact O-N 2.64Å; A1158-F1199 HydrophobicContact CB-CD2 4.31Å; A1158-F1199 HydrophobicContact CB-CE2 3.7Å; R1197-F1199 HydrophobicContact CB-CD2 4.48Å; R1197-F1199 HydrophobicContact CB-CE2 3.6Å; R1197-F1199 HydrophobicContact CB-CZ 3.95Å |
| 1200 | F | 91.7 | Very high | 78.3 | Confident | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 114.6 | 177.7 | -175.4 | -110.6 | 0 | 0 | 0 | 111 | V1116 T1117 F1118 M1119 C1138 L1141 L1147 F1153 V1155 | V1116-F1200 HydrophobicContact CG1-CB 4.03Å; T1117-F1200 PolarHBondContact O-N 3.49Å; F1118-F1200 AromaticContact CD1-CD1 3.73Å; F1118-F1200 HydrophobicContact CD1-CD1 3.73Å; F1118-F1200 HydrophobicContact CD1-CE1 4.49Å; F1118-F1200 AromaticContact CE1-CD1 3.43Å; F1118-F1200 HydrophobicContact CE1-CD1 3.43Å; F1118-F1200 VanDerWaalsContact CE1-CD1 3.43Å; F1118-F1200 AromaticContact CE1-CE1 3.92Å; F1118-F1200 HydrophobicContact CE1-CE1 3.92Å; F1118-F1200 HydrophobicContact CE1-CG 4.32Å; F1118-F1200 HydrophobicContact CZ-CD1 4.15Å; M1119-F1200 WeakPolarHBondContact CG-O 3.47Å; C1138-F1200 HydrophobicContact CB-CE2 4.05Å; L1141-F1200 HydrophobicContact CB-CD1 4.3Å; L1141-F1200 HydrophobicContact CB-CD2 4.15Å; L1141-F1200 HydrophobicContact CB-CE1 4.23Å; L1141-F1200 HydrophobicContact CB-CE2 4.09Å; L1141-F1200 HydrophobicContact CB-CG 4.24Å; L1141-F1200 HydrophobicContact CB-CZ 4.11Å; L1141-F1200 HydrophobicContact CD1-CB 3.95Å; L1141-F1200 HydrophobicContact CD1-CD2 3.49Å; L1141-F1200 VanDerWaalsContact CD1-CD2 3.49Å; L1141-F1200 HydrophobicContact CD1-CE2 4.1Å; L1141-F1200 HydrophobicContact CD1-CG 3.78Å; L1141-F1200 HydrophobicContact CG-CD2 4.47Å; L1147-F1200 HydrophobicContact CD2-CE1 4.1Å; L1147-F1200 HydrophobicContact CD2-CZ 4.22Å; F1153-F1200 HydrophobicContact CB-CE1 4.14Å; F1153-F1200 HydrophobicContact CB-CE2 3.83Å; F1153-F1200 HydrophobicContact CB-CZ 3.52Å; F1153-F1200 HydrophobicContact CD1-CD1 4.39Å; F1153-F1200 AromaticContact CD1-CE1 3.95Å; F1153-F1200 HydrophobicContact CD1-CE1 3.95Å; F1153-F1200 HydrophobicContact CD1-CZ 4.21Å; F1153-F1200 HydrophobicContact CG-CE1 4.23Å; F1153-F1200 HydrophobicContact CG-CZ 4.08Å; V1155-F1200 HydrophobicContact CG2-CD2 4.31Å |
| 1201 | R | 90.5 | Very high | 80.4 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 13% | 0.132 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 164.3 | -169.4 | 82.1 | -169.9 | -161.4 | 146.9 | 8.2 | 112.6 | M1119 F1153 S1154 Y1156 E1233 | M1119-R1201 HydrophobicContact CG-CB 3.46Å; M1119-R1201 VanDerWaalsContact CG-CB 3.46Å; M1119-R1201 HydrophobicContact SD-CB 3.74Å; F1153-R1201 WeakPolarHBondContact CA-O 3.28Å; S1154-R1201 PolarHBondContact N-O 3.47Å; S1154-R1201 PolarHBondContact O-N 3.25Å; S1154-R1201 VanDerWaalsContact O-N 3.17Å; Y1156-R1201 HydrophobicContact CD2-CG 3.51Å; Y1156-R1201 HydrophobicContact CE2-CG 3.39Å; Y1156-R1201 HydrophobicContact CG-CG 4.38Å; R1201-E1233 IonicContact CZ-OE1 3.54Å; R1201-E1233 VanDerWaalsContact CZ-OE1 3.3Å; R1201-E1233 IonicContact NH1-OE1 3.05Å; R1201-E1233 PolarHBondContact NH1-OE1 2.96Å; R1201-E1233 IonicContact NH1-OE2 2.77Å; R1201-E1233 PolarHBondContact NH1-OE2 3.5Å; R1201-E1233 VanDerWaalsContact NH1-OE2 3.17Å; R1201-E1233 IonicContact NH2-OE1 3.41Å; R1201-E1233 PolarHBondContact NH2-OE1 2.96Å |
| 1202 | K | 92.4 | Very high | 82.3 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 119.4 | 177.5 | -163.5 | 80.6 | 159.8 | -174.9 | 0 | 109.4 | D1149 F1151 G1152 F1153 I1204 I1221 Q1224 | D1149-K1202 PolarHBondContact O-NZ 2.97Å; D1149-K1202 IonicContact OD1-NZ 3.79Å; D1149-K1202 IonicContact OD2-NZ 3.19Å; D1149-K1202 PolarHBondContact OD2-NZ 2.8Å; F1151-K1202 WeakPolarHBondContact O-CE 3.38Å; F1151-K1202 PolarHBondContact O-NZ 2.68Å; G1152-K1202 CarbonylContact O-C 3.51Å; F1153-K1202 HydrophobicContact CD1-CB 4.23Å; F1153-K1202 HydrophobicContact CD1-CD 4.27Å; F1153-K1202 HydrophobicContact CD2-CD 3.5Å; F1153-K1202 HydrophobicContact CE1-CB 4.05Å; F1153-K1202 HydrophobicContact CE1-CD 4.2Å; F1153-K1202 HydrophobicContact CE2-CD 3.46Å; F1153-K1202 VanDerWaalsContact CE2-CD 3.46Å; F1153-K1202 HydrophobicContact CG-CD 3.94Å; F1153-K1202 HydrophobicContact CZ-CB 4.36Å; F1153-K1202 HydrophobicContact CZ-CD 3.82Å; K1202-I1204 WeakPolarHBondContact CE-O 3.5Å; K1202-I1221 HydrophobicContact CB-CD1 4.15Å; K1202-I1221 HydrophobicContact CB-CG1 3.75Å; K1202-I1221 HydrophobicContact CD-CD1 3.9Å; K1202-I1221 HydrophobicContact CD-CG1 4.39Å; K1202-I1221 HydrophobicContact CG-CD1 3.91Å; K1202-I1221 HydrophobicContact CG-CG1 4.09Å; K1202-Q1224 PolarHBondContact O-NE2 3.22Å; K1202-Q1224 PolarHBondContact O-OE1 3.26Å |
| 1203 | E | 89.1 | Confident | 84.2 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | trans | -92.6 | -35.3 | 176.2 | 177.3 | 167.9 | -119.3 | 0 | 0 | 111.4 | G1152 S1154 Y1156 S1165 F1334 S1335 | G1152-E1203 PolarHBondContact O-N 3.49Å; S1154-E1203 WeakPolarHBondContact CB-OE2 3.43Å; S1154-E1203 PolarHBondContact OG-OE2 3.37Å; Y1156-E1203 HydrophobicContact CE2-CB 4.42Å; Y1156-E1203 WeakPolarHBondContact OH-CB 3.42Å; Y1156-E1203 WeakPolarHBondContact OH-CG 3.48Å; Y1156-E1203 PolarHBondContact OH-OE1 2.87Å; S1165-E1203 WeakPolarHBondContact CB-OE1 3.43Å; S1165-E1203 PolarHBondContact OG-OE1 3.44Å; E1203-F1334 CarbonylContact O-C 3.51Å; E1203-F1334 VanDerWaalsContact O-CA 3.29Å; E1203-F1334 WeakPolarHBondContact O-CA 3.5Å; E1203-S1335 CarbonylContact O-C 3.55Å; E1203-S1335 PolarHBondContact O-N 2.87Å | ||
| 1204 | I | 91.4 | Very high | 86.2 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | trans | -149.6 | 143.4 | -175.4 | -171.3 | 174.7 | 0 | 0 | 0 | 112.1 | F1151 G1152 K1202 K1336 V1373 L1437 F1441 | F1151-I1204 HydrophobicContact CE1-CG2 4.06Å; G1152-I1204 VanDerWaalsContact CA-CG2 3.47Å; G1152-I1204 PolarHBondContact O-N 2.85Å; K1202-I1204 WeakPolarHBondContact CE-O 3.5Å; I1204-K1336 HydrophobicContact CD1-CB 4.18Å; I1204-V1373 WeakPolarHBondContact CD1-O 3.3Å; I1204-L1437 HydrophobicContact CD1-CD1 4.41Å; I1204-L1437 HydrophobicContact CD1-CD2 3.98Å; I1204-F1441 HydrophobicContact CD1-CE2 3.79Å; I1204-F1441 HydrophobicContact CD1-CZ 3.83Å; I1204-F1441 HydrophobicContact CG1-CE2 4.5Å; I1204-F1441 HydrophobicContact CG1-CZ 4.27Å | ||
| 1205 | F | 92.3 | Very high | 88 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -95 | 148.9 | 171.1 | -69.3 | -78.5 | 0 | 0 | 0 | 111.5 | H1209 I1221 V1323 R1327 F1334 W1375 | F1205-H1209 HydrophobicContact CB-CB 4.36Å; F1205-H1209 HydrophobicContact CD1-CB 4.1Å; F1205-H1209 AromaticContact CD1-CD2 3.45Å; F1205-H1209 VanDerWaalsContact CD1-CD2 3.45Å; F1205-H1209 WeakPolarHBondContact CD1-CD2 3.24Å; F1205-H1209 AromaticContact CD1-CG 3.63Å; F1205-H1209 AromaticContact CD1-NE2 3.86Å; F1205-H1209 AromaticContact CE1-CD2 3.62Å; F1205-H1209 AromaticContact CE1-NE2 3.65Å; F1205-I1221 HydrophobicContact CE1-CD1 3.97Å; F1205-I1221 HydrophobicContact CZ-CD1 4.49Å; F1205-I1221 HydrophobicContact CZ-CG2 4.01Å; F1205-V1323 HydrophobicContact CE1-CG1 4Å; F1205-V1323 HydrophobicContact CZ-CG1 4.09Å; F1205-R1327 HydrophobicContact CB-CG 4.29Å; F1205-R1327 HydrophobicContact CD1-CG 4.43Å; F1205-R1327 HydrophobicContact CD2-CB 3.92Å; F1205-R1327 HydrophobicContact CD2-CG 3.64Å; F1205-R1327 HydrophobicContact CE1-CB 4.46Å; F1205-R1327 HydrophobicContact CE2-CB 3.66Å; F1205-R1327 HydrophobicContact CE2-CG 3.95Å; F1205-R1327 HydrophobicContact CG-CB 4.43Å; F1205-R1327 HydrophobicContact CG-CG 3.9Å; F1205-R1327 HydrophobicContact CZ-CB 3.94Å; F1205-R1327 HydrophobicContact CZ-CG 4.45Å; F1205-F1334 HydrophobicContact CD2-CB 3.7Å; F1205-F1334 HydrophobicContact CD2-CD1 4.04Å; F1205-F1334 HydrophobicContact CD2-CD2 4.39Å; F1205-F1334 AromaticContact CD2-CG 3.8Å; F1205-F1334 HydrophobicContact CD2-CG 3.8Å; F1205-F1334 HydrophobicContact CE2-CB 3.91Å; F1205-F1334 AromaticContact CE2-CD1 3.53Å; F1205-F1334 HydrophobicContact CE2-CD1 3.53Å; F1205-F1334 AromaticContact CE2-CD2 3.76Å; F1205-F1334 HydrophobicContact CE2-CD2 3.76Å; F1205-F1334 AromaticContact CE2-CE1 3.9Å; F1205-F1334 HydrophobicContact CE2-CE1 3.9Å; F1205-F1334 HydrophobicContact CE2-CE2 4.12Å; F1205-F1334 AromaticContact CE2-CG 3.45Å; F1205-F1334 HydrophobicContact CE2-CG 3.45Å; F1205-F1334 VanDerWaalsContact CE2-CG 3.45Å; F1205-F1334 HydrophobicContact CE2-CZ 4.19Å; F1205-F1334 HydrophobicContact CZ-CD1 4.29Å; F1205-F1334 HydrophobicContact CZ-CE1 4.29Å; F1205-W1375 HydrophobicContact CB-CB 3.96Å; F1205-W1375 HydrophobicContact CB-CG 4.33Å; F1205-W1375 WeakPolarHBondContact O-CB 3.45Å | ||
| 1206 | T | 91 | Very high | 89.3 | Confident | 8 Ų | 8 | 34.4 Ų | 34.4 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | trans | -71.4 | 149.6 | 160.7 | 59 | 0 | 0 | 0 | 0 | 110.3 | F1151 W1208 H1209 F1441 | F1151-T1206 HydrophobicContact CB-CG2 4.37Å; F1151-T1206 HydrophobicContact CD1-CG2 3.37Å; F1151-T1206 HydrophobicContact CE1-CG2 3.74Å; F1151-T1206 HydrophobicContact CG-CG2 3.82Å; F1151-T1206 HydrophobicContact CZ-CG2 4.44Å; T1206-W1208 HydrophobicContact CG2-CZ2 3.93Å; T1206-W1208 PolarHBondContact O-N 3.08Å; T1206-W1208 VanDerWaalsContact O-N 3.14Å; T1206-H1209 WeakPolarHBondContact O-CB 3.31Å; T1206-H1209 PolarHBondContact O-N 2.93Å; T1206-H1209 WeakPolarHBondContact OG1-CA 3.31Å; T1206-H1209 WeakPolarHBondContact OG1-CB 3.34Å; T1206-H1209 PolarHBondContact OG1-N 3.29Å; T1206-H1209 VanDerWaalsContact OG1-N 3.13Å; T1206-F1441 HydrophobicContact CG2-CE1 4.15Å | ||
| 1207 | P | 89.8 | Confident | 90 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -36.1 | 173.2 | -28.4 | 35.1 | 0 | 0 | 0 | 114.1 | R1327 F1393 F1441 L1445 | P1207-R1327 PolarHBondContact O-NH1 2.96Å; P1207-F1393 HydrophobicContact CG-CD2 4.13Å; P1207-F1393 HydrophobicContact CG-CE2 3.9Å; P1207-F1441 HydrophobicContact CG-CB 4.07Å; P1207-F1441 HydrophobicContact CG-CD1 4.24Å; P1207-F1441 HydrophobicContact CG-CD2 4.25Å; P1207-F1441 HydrophobicContact CG-CG 3.96Å; P1207-L1445 HydrophobicContact CB-CD1 3.85Å; P1207-L1445 HydrophobicContact CB-CD2 3.72Å; P1207-L1445 HydrophobicContact CB-CG 3.86Å; P1207-L1445 HydrophobicContact CG-CD1 3.89Å; P1207-L1445 HydrophobicContact CG-CG 4.18Å |
| 1208 | W | 90.2 | Very high | 90.4 | Very high | 69 Ų | 69 | 26 Ų | 26 | 26% | 0.261 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 16.1 | 178.6 | 57.8 | 82.2 | 0 | 0 | 0 | 114.7 | T1206 N1210 F1441 G1444 L1445 L1514 | T1206-W1208 HydrophobicContact CG2-CZ2 3.93Å; T1206-W1208 PolarHBondContact O-N 3.08Å; T1206-W1208 VanDerWaalsContact O-N 3.14Å; W1208-N1210 PolarHBondContact O-N 3.04Å; W1208-F1441 HydrophobicContact CH2-CD1 4.08Å; W1208-F1441 HydrophobicContact CZ3-CD1 4.43Å; W1208-G1444 VanDerWaalsContact CZ3-C 3.45Å; W1208-L1445 HydrophobicContact CE3-CD2 4.49Å; W1208-L1445 HydrophobicContact CE3-CG 4.25Å; W1208-L1445 HydrophobicContact CZ3-CG 4.27Å; W1208-L1514 HydrophobicContact CB-CD1 3.88Å |
| 1209 | H | 90.8 | Very high | 90.6 | Very high | 10 Ų | 10 | 28 Ų | 28 | 5% | 0.046 | 15% | 0.154 | C | C | . | . | trans | -64.7 | 128.2 | -178.8 | 174.7 | 86.9 | 0 | 0 | 0 | 111.5 | D1149 F1205 T1206 R1327 | D1149-H1209 IonicContact OD2-CE1 3.91Å; D1149-H1209 PolarHBondContact OD2-CE1 2.89Å; D1149-H1209 IonicContact OD2-ND1 3.18Å; D1149-H1209 PolarHBondContact OD2-ND1 3.33Å; F1205-H1209 HydrophobicContact CB-CB 4.36Å; F1205-H1209 HydrophobicContact CD1-CB 4.1Å; F1205-H1209 AromaticContact CD1-CD2 3.45Å; F1205-H1209 VanDerWaalsContact CD1-CD2 3.45Å; F1205-H1209 WeakPolarHBondContact CD1-CD2 3.24Å; F1205-H1209 AromaticContact CD1-CG 3.63Å; F1205-H1209 AromaticContact CD1-NE2 3.86Å; F1205-H1209 AromaticContact CE1-CD2 3.62Å; F1205-H1209 AromaticContact CE1-NE2 3.65Å; T1206-H1209 WeakPolarHBondContact O-CB 3.31Å; T1206-H1209 PolarHBondContact O-N 2.93Å; T1206-H1209 WeakPolarHBondContact OG1-CA 3.31Å; T1206-H1209 WeakPolarHBondContact OG1-CB 3.34Å; T1206-H1209 PolarHBondContact OG1-N 3.29Å; T1206-H1209 VanDerWaalsContact OG1-N 3.13Å; H1209-R1327 PolarHBondContact O-NH2 2.88Å | ||
| 1210 | N | 87.9 | Confident | 90.8 | Very high | 74 Ų | 74 | 25.7 Ų | 25.7 | 40% | 0.396 | 14% | 0.144 | S | C | . | . | trans | -120.9 | 115.6 | 176.2 | 176.4 | 31.2 | 0 | 0 | 0 | 110.4 | W1208 A1212 D1213 | W1208-N1210 PolarHBondContact O-N 3.04Å; N1210-A1212 PolarHBondContact O-N 2.92Å; N1210-A1212 VanDerWaalsContact O-N 3.08Å; N1210-D1213 PolarHBondContact ND2-OD1 3.16Å; N1210-D1213 PolarHBondContact O-N 3.23Å; N1210-D1213 VanDerWaalsContact O-N 3.11Å | ||
| 1211 | P | 89.9 | Confident | 90.9 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.032 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -19.6 | -179.1 | -30.6 | 39.9 | 0 | 0 | 0 | 115.9 | T1218 E1320 V1323 | P1211-T1218 WeakPolarHBondContact CA-OG1 3.39Å; P1211-T1218 WeakPolarHBondContact CB-OG1 3.43Å; P1211-T1218 PolarHBondContact O-OG1 2.98Å; P1211-E1320 HydrophobicContact CB-CB 3.97Å; P1211-E1320 HydrophobicContact CB-CG 3.99Å; P1211-V1323 HydrophobicContact CB-CB 4.3Å; P1211-V1323 HydrophobicContact CB-CG1 4.22Å; P1211-V1323 HydrophobicContact CG-CB 4.06Å; P1211-V1323 HydrophobicContact CG-CG1 3.73Å |
| 1212 | A | 87.1 | Confident | 91.1 | Very high | 52 Ų | 52 | 24 Ų | 24 | 43% | 0.43 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -12.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1210 | N1210-A1212 PolarHBondContact O-N 2.92Å; N1210-A1212 VanDerWaalsContact O-N 3.08Å |
| 1213 | D | 88 | Confident | 91.1 | Very high | 103 Ų | 103 | 26.1 Ų | 26.1 | 55% | 0.551 | 15% | 0.147 | S | C | * | . | S | Bend | trans | -76.3 | -30.3 | -178.6 | -64.8 | -6.3 | 0 | 0 | 0 | 111.9 | K1148 N1210 | K1148-D1213 PolarHBondContact NZ-O 3.18Å; N1210-D1213 PolarHBondContact ND2-OD1 3.16Å; N1210-D1213 PolarHBondContact O-N 3.23Å; N1210-D1213 VanDerWaalsContact O-N 3.11Å |
| 1214 | D | 91.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | trans | -143.3 | 99 | -177.1 | -174.1 | -0.6 | 0 | 0 | 0 | 112.2 | K1148 D1149 T1216 A1217 T1218 | K1148-D1214 WeakPolarHBondContact CA-OD2 3.36Å; K1148-D1214 HydrophobicContact CB-CB 4.13Å; K1148-D1214 WeakPolarHBondContact CB-OD2 3.11Å; K1148-D1214 HydrophobicContact CD-CB 4.34Å; K1148-D1214 HydrophobicContact CG-CB 4.42Å; K1148-D1214 PolarHBondContact N-OD2 3.41Å; D1149-D1214 HydrophobicContact CB-CB 4.42Å; D1149-D1214 PolarHBondContact N-OD2 3.27Å; D1214-T1216 PolarHBondContact O-N 3.11Å; D1214-T1216 WeakPolarHBondContact OD1-CA 3.5Å; D1214-T1216 WeakPolarHBondContact OD1-CB 3.41Å; D1214-T1216 PolarHBondContact OD1-N 2.93Å; D1214-A1217 HydrophobicContact CB-CB 3.91Å; D1214-A1217 PolarHBondContact O-N 3.18Å; D1214-A1217 PolarHBondContact OD1-N 2.61Å; D1214-T1218 PolarHBondContact O-N 3.28Å; D1214-T1218 PolarHBondContact O-OG1 3.46Å | ||
| 1215 | S | 89.8 | Confident | 91.2 | Very high | 64 Ų | 64 | 25.4 Ų | 25.4 | 45% | 0.448 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62 | -26.2 | 174.5 | 51 | 0 | 0 | 0 | 0 | 113.9 | T1218 D1219 | S1215-T1218 PolarHBondContact O-N 2.96Å; S1215-D1219 PolarHBondContact O-N 3.26Å |
| 1216 | T | 91.5 | Very high | 91.2 | Very high | 42 Ų | 42 | 25.8 Ų | 25.8 | 26% | 0.258 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -76.4 | -37.4 | 178.2 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | V1145 L1147 D1214 L1220 | V1145-T1216 HydrophobicContact CB-CG2 4.39Å; V1145-T1216 HydrophobicContact CG2-CG2 4.04Å; L1147-T1216 HydrophobicContact CD1-CG2 4.26Å; D1214-T1216 PolarHBondContact O-N 3.11Å; D1214-T1216 WeakPolarHBondContact OD1-CA 3.5Å; D1214-T1216 WeakPolarHBondContact OD1-CB 3.41Å; D1214-T1216 PolarHBondContact OD1-N 2.93Å; T1216-L1220 WeakPolarHBondContact O-CG 3.33Å; T1216-L1220 PolarHBondContact O-N 3.48Å |
| 1217 | A | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -45.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111 | L1147 D1149 F1153 D1214 L1220 I1221 | L1147-A1217 HydrophobicContact CD1-CB 3.7Å; D1149-A1217 HydrophobicContact CB-CB 4.5Å; F1153-A1217 HydrophobicContact CE2-CB 3.98Å; F1153-A1217 HydrophobicContact CZ-CB 4.07Å; D1214-A1217 HydrophobicContact CB-CB 3.91Å; D1214-A1217 PolarHBondContact O-N 3.18Å; D1214-A1217 PolarHBondContact OD1-N 2.61Å; A1217-L1220 PolarHBondContact O-N 3.04Å; A1217-I1221 HydrophobicContact CB-CD1 4.41Å; A1217-I1221 WeakPolarHBondContact O-CB 3.18Å; A1217-I1221 WeakPolarHBondContact O-CD1 3.11Å; A1217-I1221 WeakPolarHBondContact O-CG1 3.46Å; A1217-I1221 PolarHBondContact O-N 3.36Å |
| 1218 | T | 93.5 | Very high | 90.7 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | -179.4 | -72 | 0 | 0 | 0 | 0 | 112.6 | P1211 D1214 S1215 I1221 Y1222 Q1319 E1320 V1323 | P1211-T1218 WeakPolarHBondContact CA-OG1 3.39Å; P1211-T1218 WeakPolarHBondContact CB-OG1 3.43Å; P1211-T1218 PolarHBondContact O-OG1 2.98Å; D1214-T1218 PolarHBondContact O-N 3.28Å; D1214-T1218 PolarHBondContact O-OG1 3.46Å; S1215-T1218 PolarHBondContact O-N 2.96Å; T1218-I1221 PolarHBondContact O-N 3.48Å; T1218-Y1222 WeakPolarHBondContact O-CB 3.48Å; T1218-Y1222 PolarHBondContact O-N 3.11Å; T1218-Q1319 HydrophobicContact CG2-CB 3.67Å; T1218-E1320 HydrophobicContact CG2-CG 4.4Å; T1218-V1323 HydrophobicContact CG2-CG2 4.1Å |
| 1219 | D | 92.1 | Very high | 90.5 | Very high | 43 Ų | 43 | 26.7 Ų | 26.7 | 23% | 0.23 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.4 | -51.9 | 173 | 176.9 | 75.5 | 0 | 0 | 0 | 112.4 | N1120 S1215 I1221 Y1222 H1223 | N1120-D1219 PolarHBondContact ND2-OD2 3.23Å; S1215-D1219 PolarHBondContact O-N 3.26Å; D1219-I1221 VanDerWaalsContact C-N 3.34Å; D1219-I1221 PolarHBondContact O-N 3.09Å; D1219-Y1222 PolarHBondContact O-N 3.24Å; D1219-H1223 PolarHBondContact O-CD2 3.09Å; D1219-H1223 PolarHBondContact O-N 2.72Å; D1219-H1223 IonicContact OD1-CD2 3.53Å; D1219-H1223 PolarHBondContact OD1-CD2 3.18Å; D1219-H1223 IonicContact OD1-NE2 2.83Å; D1219-H1223 IonicContact OD2-CD2 3.34Å |
| 1220 | L | 93.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | -178.4 | -67.5 | 176.2 | 0 | 0 | 0 | 112.3 | F1118 M1119 N1120 L1147 F1153 T1216 A1217 Q1224 | F1118-L1220 HydrophobicContact CB-CD2 3.91Å; F1118-L1220 HydrophobicContact CD1-CD1 3.97Å; F1118-L1220 HydrophobicContact CD1-CD2 3.81Å; F1118-L1220 HydrophobicContact CE1-CD1 4.43Å; F1118-L1220 HydrophobicContact CG-CD2 4.35Å; M1119-L1220 WeakPolarHBondContact CB-O 3.39Å; N1120-L1220 HydrophobicContact CB-CD2 4.4Å; L1147-L1220 HydrophobicContact CD1-CD1 4.44Å; F1153-L1220 HydrophobicContact CE1-CB 4.09Å; F1153-L1220 HydrophobicContact CE1-CD1 4.18Å; F1153-L1220 HydrophobicContact CZ-CB 4.37Å; F1153-L1220 HydrophobicContact CZ-CD1 4.49Å; T1216-L1220 WeakPolarHBondContact O-CG 3.33Å; T1216-L1220 PolarHBondContact O-N 3.48Å; A1217-L1220 PolarHBondContact O-N 3.04Å; L1220-Q1224 WeakPolarHBondContact O-CB 3.21Å; L1220-Q1224 PolarHBondContact O-N 2.97Å |
| 1221 | I | 93.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -76.2 | -36.2 | 179.4 | -58.7 | 162 | 0 | 0 | 0 | 111 | F1153 K1202 F1205 A1217 T1218 D1219 Q1224 V1225 V1323 | F1153-I1221 HydrophobicContact CE1-CG1 4.32Å; F1153-I1221 HydrophobicContact CZ-CD1 4.02Å; F1153-I1221 HydrophobicContact CZ-CG1 3.93Å; K1202-I1221 HydrophobicContact CB-CD1 4.15Å; K1202-I1221 HydrophobicContact CB-CG1 3.75Å; K1202-I1221 HydrophobicContact CD-CD1 3.9Å; K1202-I1221 HydrophobicContact CD-CG1 4.39Å; K1202-I1221 HydrophobicContact CG-CD1 3.91Å; K1202-I1221 HydrophobicContact CG-CG1 4.09Å; F1205-I1221 HydrophobicContact CE1-CD1 3.97Å; F1205-I1221 HydrophobicContact CZ-CD1 4.49Å; F1205-I1221 HydrophobicContact CZ-CG2 4.01Å; A1217-I1221 HydrophobicContact CB-CD1 4.41Å; A1217-I1221 WeakPolarHBondContact O-CB 3.18Å; A1217-I1221 WeakPolarHBondContact O-CD1 3.11Å; A1217-I1221 WeakPolarHBondContact O-CG1 3.46Å; A1217-I1221 PolarHBondContact O-N 3.36Å; T1218-I1221 PolarHBondContact O-N 3.48Å; D1219-I1221 VanDerWaalsContact C-N 3.34Å; D1219-I1221 PolarHBondContact O-N 3.09Å; I1221-Q1224 WeakPolarHBondContact O-CB 3.47Å; I1221-Q1224 PolarHBondContact O-N 2.7Å; I1221-V1225 HydrophobicContact CG2-CG2 4.4Å; I1221-V1225 VanDerWaalsContact O-CG2 3.29Å; I1221-V1225 WeakPolarHBondContact O-CG2 3.37Å; I1221-V1225 PolarHBondContact O-N 2.62Å; I1221-V1323 HydrophobicContact CB-CG1 4.28Å; I1221-V1323 HydrophobicContact CB-CG2 3.9Å; I1221-V1323 HydrophobicContact CD1-CG1 4.37Å; I1221-V1323 HydrophobicContact CG2-CB 4.42Å; I1221-V1323 HydrophobicContact CG2-CG1 3.87Å; I1221-V1323 HydrophobicContact CG2-CG2 3.9Å |
| 1222 | Y | 94.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.5 | -48.5 | 172.2 | 167.7 | -100 | 0 | 0 | 0 | 111.3 | T1218 D1219 Q1224 V1225 T1226 V1252 Q1319 V1322 | T1218-Y1222 WeakPolarHBondContact O-CB 3.48Å; T1218-Y1222 PolarHBondContact O-N 3.11Å; D1219-Y1222 PolarHBondContact O-N 3.24Å; Y1222-Q1224 VanDerWaalsContact C-N 3.35Å; Y1222-Q1224 PolarHBondContact O-N 2.93Å; Y1222-V1225 PolarHBondContact O-N 2.91Å; Y1222-T1226 HydrophobicContact CD2-CG2 4.27Å; Y1222-T1226 HydrophobicContact CE1-CG2 4.35Å; Y1222-T1226 HydrophobicContact CE2-CG2 3.72Å; Y1222-T1226 PolarHBondContact O-N 2.84Å; Y1222-T1226 PolarHBondContact O-OG1 3.04Å; Y1222-V1252 HydrophobicContact CE1-CG1 3.91Å; Y1222-V1252 HydrophobicContact CE2-CG2 4.07Å; Y1222-V1252 WeakPolarHBondContact OH-CB 3.49Å; Y1222-V1252 WeakPolarHBondContact OH-CG1 3.34Å; Y1222-Q1319 HydrophobicContact CD1-CG 4.05Å; Y1222-Q1319 HydrophobicContact CD2-CB 4.23Å; Y1222-Q1319 HydrophobicContact CD2-CG 3.91Å; Y1222-Q1319 HydrophobicContact CE1-CG 4.45Å; Y1222-Q1319 HydrophobicContact CE2-CG 4.32Å; Y1222-Q1319 HydrophobicContact CG-CB 4.18Å; Y1222-Q1319 HydrophobicContact CG-CG 3.77Å; Y1222-V1322 HydrophobicContact CD2-CB 4.01Å; Y1222-V1322 HydrophobicContact CD2-CG1 3.9Å; Y1222-V1322 HydrophobicContact CD2-CG2 4.37Å; Y1222-V1322 HydrophobicContact CE2-CB 4.44Å; Y1222-V1322 HydrophobicContact CE2-CG1 4.33Å; Y1222-V1322 HydrophobicContact CE2-CG2 4.32Å |
| 1223 | H | 93.2 | Very high | 88.4 | Confident | 45 Ų | 45 | 32 Ų | 32 | 21% | 0.208 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.7 | -26 | 177.4 | -76.3 | -61.1 | 0 | 0 | 0 | 113.9 | M1119 N1120 D1219 T1226 R1227 | M1119-H1223 WeakPolarHBondContact O-CB 3.21Å; N1120-H1223 HydrophobicContact CB-CB 4.08Å; D1219-H1223 PolarHBondContact O-CD2 3.09Å; D1219-H1223 PolarHBondContact O-N 2.72Å; D1219-H1223 IonicContact OD1-CD2 3.53Å; D1219-H1223 PolarHBondContact OD1-CD2 3.18Å; D1219-H1223 IonicContact OD1-NE2 2.83Å; D1219-H1223 IonicContact OD2-CD2 3.34Å; H1223-T1226 WeakPolarHBondContact CA-OG1 3.36Å; H1223-T1226 PolarHBondContact O-OG1 3.03Å; H1223-R1227 WeakPolarHBondContact O-CB 3.3Å; H1223-R1227 WeakPolarHBondContact O-CG 3.34Å; H1223-R1227 PolarHBondContact O-N 3.09Å |
| 1224 | Q | 92.7 | Very high | 88.2 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.1 | -50 | 167.4 | 177.6 | 174.7 | -20.1 | 0 | 0 | 111.1 | M1119 K1202 L1220 I1221 Y1222 G1228 Y1234 | M1119-Q1224 HydrophobicContact CB-CB 4.01Å; M1119-Q1224 HydrophobicContact CE-CB 4.2Å; M1119-Q1224 HydrophobicContact CE-CG 4.22Å; M1119-Q1224 HydrophobicContact CG-CB 3.91Å; M1119-Q1224 HydrophobicContact CG-CG 4.36Å; K1202-Q1224 PolarHBondContact O-NE2 3.22Å; K1202-Q1224 PolarHBondContact O-OE1 3.26Å; L1220-Q1224 WeakPolarHBondContact O-CB 3.21Å; L1220-Q1224 PolarHBondContact O-N 2.97Å; I1221-Q1224 WeakPolarHBondContact O-CB 3.47Å; I1221-Q1224 PolarHBondContact O-N 2.7Å; Y1222-Q1224 VanDerWaalsContact C-N 3.35Å; Y1222-Q1224 PolarHBondContact O-N 2.93Å; Q1224-G1228 PolarHBondContact O-N 3.45Å; Q1224-Y1234 HydrophobicContact CG-CE2 4.31Å; Q1224-Y1234 PolarHBondContact NE2-OH 3.36Å; Q1224-Y1234 WeakPolarHBondContact O-CE2 3.42Å |
| 1225 | V | 90.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.8 | -46.3 | -176.2 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | I1221 Y1222 G1228 L1229 V1322 A1326 W1330 F1334 | I1221-V1225 HydrophobicContact CG2-CG2 4.4Å; I1221-V1225 VanDerWaalsContact O-CG2 3.29Å; I1221-V1225 WeakPolarHBondContact O-CG2 3.37Å; I1221-V1225 PolarHBondContact O-N 2.62Å; Y1222-V1225 PolarHBondContact O-N 2.91Å; V1225-G1228 PolarHBondContact O-N 3.03Å; V1225-L1229 HydrophobicContact CG1-CD1 3.93Å; V1225-L1229 WeakPolarHBondContact O-CB 3.43Å; V1225-L1229 VanDerWaalsContact O-CG 3.31Å; V1225-L1229 WeakPolarHBondContact O-CG 3.42Å; V1225-L1229 PolarHBondContact O-N 2.66Å; V1225-V1322 HydrophobicContact CG1-CG1 4.02Å; V1225-A1326 HydrophobicContact CB-CB 4.47Å; V1225-A1326 HydrophobicContact CG1-CB 4.19Å; V1225-A1326 HydrophobicContact CG2-CB 3.46Å; V1225-A1326 VanDerWaalsContact CG2-CB 3.46Å; V1225-W1330 HydrophobicContact CG1-CH2 4.39Å; V1225-W1330 HydrophobicContact CG1-CZ3 3.85Å; V1225-F1334 HydrophobicContact CG2-CZ 4.03Å |
| 1226 | T | 90.4 | Very high | 87.1 | Confident | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.055 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | -179.9 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | Y1222 H1223 L1229 K1230 Q1249 | Y1222-T1226 HydrophobicContact CD2-CG2 4.27Å; Y1222-T1226 HydrophobicContact CE1-CG2 4.35Å; Y1222-T1226 HydrophobicContact CE2-CG2 3.72Å; Y1222-T1226 PolarHBondContact O-N 2.84Å; Y1222-T1226 PolarHBondContact O-OG1 3.04Å; H1223-T1226 WeakPolarHBondContact CA-OG1 3.36Å; H1223-T1226 PolarHBondContact O-OG1 3.03Å; T1226-L1229 PolarHBondContact O-N 3.18Å; T1226-K1230 PolarHBondContact O-N 3.32Å; T1226-K1230 VanDerWaalsContact O-N 3.14Å; T1226-Q1249 HydrophobicContact CG2-CB 4.3Å; T1226-Q1249 HydrophobicContact CG2-CG 4.23Å; T1226-Q1249 VanDerWaalsContact CG2-OE1 3.32Å |
| 1227 | R | 87.2 | Confident | 86.5 | Confident | 94 Ų | 94 | 33.7 Ų | 33.7 | 36% | 0.355 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -66.9 | -41.5 | 174.7 | -70.1 | -179.2 | 177.1 | 173.1 | 5.1 | 112.4 | M1119 N1120 G1121 H1223 L1229 K1230 F1231 | M1119-R1227 WeakPolarHBondContact O-CD 3.37Å; M1119-R1227 PolarHBondContact O-NE 3.17Å; M1119-R1227 PolarHBondContact O-NH1 3.38Å; N1120-R1227 VanDerWaalsContact C-NH2 3.35Å; N1120-R1227 PolarHBondContact O-NH2 2.92Å; G1121-R1227 VanDerWaalsContact N-NH1 3.18Å; H1223-R1227 WeakPolarHBondContact O-CB 3.3Å; H1223-R1227 WeakPolarHBondContact O-CG 3.34Å; H1223-R1227 PolarHBondContact O-N 3.09Å; R1227-L1229 VanDerWaalsContact C-N 3.31Å; R1227-L1229 PolarHBondContact O-N 3.34Å; R1227-K1230 PolarHBondContact O-N 3.43Å; R1227-F1231 WeakPolarHBondContact O-CD2 3.14Å; R1227-F1231 PolarHBondContact O-N 3.43Å |
| 1228 | G | 84.6 | Confident | 85.9 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.7 | -24.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1224 V1225 G1232 E1233 Y1234 | Q1224-G1228 PolarHBondContact O-N 3.45Å; V1225-G1228 PolarHBondContact O-N 3.03Å; G1228-G1232 CarbonylContact O-C 3.53Å; G1228-G1232 PolarHBondContact O-N 3.37Å; G1228-G1232 VanDerWaalsContact O-N 3.08Å; G1228-E1233 WeakPolarHBondContact O-CA 3.04Å; G1228-E1233 PolarHBondContact O-N 3.09Å; G1228-Y1234 PolarHBondContact O-N 2.87Å |
| 1229 | L | 85.4 | Confident | 85.5 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -51.4 | 166.8 | -80.7 | 160 | 0 | 0 | 0 | 110.1 | V1225 T1226 R1227 F1231 G1232 L1242 L1245 P1272 W1330 | V1225-L1229 HydrophobicContact CG1-CD1 3.93Å; V1225-L1229 WeakPolarHBondContact O-CB 3.43Å; V1225-L1229 VanDerWaalsContact O-CG 3.31Å; V1225-L1229 WeakPolarHBondContact O-CG 3.42Å; V1225-L1229 PolarHBondContact O-N 2.66Å; T1226-L1229 PolarHBondContact O-N 3.18Å; R1227-L1229 VanDerWaalsContact C-N 3.31Å; R1227-L1229 PolarHBondContact O-N 3.34Å; L1229-F1231 PolarHBondContact O-N 2.85Å; L1229-G1232 PolarHBondContact O-N 2.7Å; L1229-L1242 HydrophobicContact CD2-CD1 4.04Å; L1229-L1245 HydrophobicContact CD1-CB 4.08Å; L1229-L1245 HydrophobicContact CD1-CD1 4.16Å; L1229-L1245 HydrophobicContact CD2-CD1 4.27Å; L1229-P1272 WeakPolarHBondContact O-CB 3.2Å; L1229-P1272 WeakPolarHBondContact O-CG 3.15Å; L1229-W1330 HydrophobicContact CD2-CH2 4.03Å; L1229-W1330 HydrophobicContact CD2-CZ2 4.22Å; L1229-W1330 HydrophobicContact CG-CH2 4.41Å |
| 1230 | K | 82.4 | Confident | 85.1 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 17% | 0.165 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58 | -49 | 179.9 | 179.2 | 49.5 | 169.1 | 162.9 | 0 | 112.8 | T1226 R1227 G1232 Q1268 N1269 L1271 P1272 D1273 | T1226-K1230 PolarHBondContact O-N 3.32Å; T1226-K1230 VanDerWaalsContact O-N 3.14Å; R1227-K1230 PolarHBondContact O-N 3.43Å; K1230-G1232 PolarHBondContact O-N 2.77Å; K1230-Q1268 PolarHBondContact NZ-O 3.35Å; K1230-N1269 WeakPolarHBondContact CD-O 3.5Å; K1230-N1269 WeakPolarHBondContact CE-O 3.37Å; K1230-L1271 WeakPolarHBondContact CD-O 3.27Å; K1230-L1271 WeakPolarHBondContact CE-O 3.23Å; K1230-L1271 PolarHBondContact NZ-O 3.23Å; K1230-P1272 VanDerWaalsContact O-CA 3.28Å; K1230-P1272 WeakPolarHBondContact O-CA 3.48Å; K1230-D1273 VanDerWaalsContact CE-OD1 3.3Å; K1230-D1273 WeakPolarHBondContact CE-OD1 3.39Å; K1230-D1273 IonicContact NZ-OD1 3.39Å; K1230-D1273 PolarHBondContact NZ-OD1 3.49Å; K1230-D1273 PolarHBondContact O-N 2.98Å |
| 1231 | F | 78.7 | Confident | 84.7 | Confident | 154 Ų | 154 | 54.2 Ų | 54.2 | 68% | 0.675 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 8.6 | 176.4 | -57.4 | -59 | 0 | 0 | 0 | 113.9 | R1227 L1229 E1233 | R1227-F1231 WeakPolarHBondContact O-CD2 3.14Å; R1227-F1231 PolarHBondContact O-N 3.43Å; L1229-F1231 PolarHBondContact O-N 2.85Å; F1231-E1233 PolarHBondContact O-N 2.97Å |
| 1232 | G | 73.7 | Confident | 84.5 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 18.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117 | T982 G1228 L1229 K1230 R1235 | T982-G1232 WeakPolarHBondContact CG2-O 3.2Å; G1228-G1232 CarbonylContact O-C 3.53Å; G1228-G1232 PolarHBondContact O-N 3.37Å; G1228-G1232 VanDerWaalsContact O-N 3.08Å; L1229-G1232 PolarHBondContact O-N 2.7Å; K1230-G1232 PolarHBondContact O-N 2.77Å; G1232-R1235 WeakPolarHBondContact O-CG 3.48Å; G1232-R1235 PolarHBondContact O-NE 3.34Å |
| 1233 | E | 76.4 | Confident | 84.2 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 26% | 0.262 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -67.1 | -50.7 | 168.9 | 179.7 | 179.3 | -133.5 | 0 | 0 | 111.1 | T982 R1201 G1228 F1231 L1333 | T982-E1233 VanDerWaalsContact CG2-O 3.32Å; T982-E1233 WeakPolarHBondContact CG2-O 3.3Å; R1201-E1233 IonicContact CZ-OE1 3.54Å; R1201-E1233 VanDerWaalsContact CZ-OE1 3.3Å; R1201-E1233 IonicContact NH1-OE1 3.05Å; R1201-E1233 PolarHBondContact NH1-OE1 2.96Å; R1201-E1233 IonicContact NH1-OE2 2.77Å; R1201-E1233 PolarHBondContact NH1-OE2 3.5Å; R1201-E1233 VanDerWaalsContact NH1-OE2 3.17Å; R1201-E1233 IonicContact NH2-OE1 3.41Å; R1201-E1233 PolarHBondContact NH2-OE1 2.96Å; G1228-E1233 WeakPolarHBondContact O-CA 3.04Å; G1228-E1233 PolarHBondContact O-N 3.09Å; F1231-E1233 PolarHBondContact O-N 2.97Å; E1233-L1333 WeakPolarHBondContact O-CD1 3.41Å |
| 1234 | Y | 83.5 | Confident | 84 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -94 | 127.2 | 173.1 | -53 | -73.9 | 0 | 0 | 0 | 108.9 | Q1224 G1228 W1330 L1333 F1334 | Q1224-Y1234 HydrophobicContact CG-CE2 4.31Å; Q1224-Y1234 PolarHBondContact NE2-OH 3.36Å; Q1224-Y1234 WeakPolarHBondContact O-CE2 3.42Å; G1228-Y1234 PolarHBondContact O-N 2.87Å; Y1234-W1330 HydrophobicContact CD1-CB 4.5Å; Y1234-W1330 AromaticContact CD1-CD2 4Å; Y1234-W1330 HydrophobicContact CD1-CD2 4Å; Y1234-W1330 AromaticContact CD1-CE3 3.88Å; Y1234-W1330 HydrophobicContact CD1-CE3 3.88Å; Y1234-W1330 HydrophobicContact CD1-CG 4.28Å; Y1234-W1330 HydrophobicContact CD1-CZ3 4.43Å; Y1234-W1330 HydrophobicContact CG-CD2 4.39Å; Y1234-W1330 HydrophobicContact CG-CE3 4.18Å; Y1234-W1330 HydrophobicContact CG-CZ3 4.29Å; Y1234-L1333 HydrophobicContact CD1-CB 4.33Å; Y1234-L1333 HydrophobicContact CD1-CD1 3.61Å; Y1234-L1333 HydrophobicContact CE1-CB 4.04Å; Y1234-L1333 HydrophobicContact CE1-CD1 4.08Å; Y1234-F1334 HydrophobicContact CD1-CE2 4.43Å; Y1234-F1334 AromaticContact CE1-CE2 3.9Å; Y1234-F1334 HydrophobicContact CE1-CE2 3.9Å; Y1234-F1334 AromaticContact CE1-CZ 3.93Å; Y1234-F1334 HydrophobicContact CE1-CZ 3.93Å |
| 1235 | R | 79.8 | Confident | 83.9 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 25% | 0.253 | 25% | 0.253 | S | S | . | . | trans | -123.2 | 145.4 | -175.6 | -63.3 | -165.8 | -177.8 | -173.3 | -0.5 | 113.5 | G980 T982 G1232 Y1274 W1330 | G980-R1235 PolarHBondContact O-NH1 2.85Å; T982-R1235 HydrophobicContact CG2-CG 4.31Å; T982-R1235 WeakPolarHBondContact OG1-CD 3.31Å; T982-R1235 PolarHBondContact OG1-NE 3.08Å; G1232-R1235 WeakPolarHBondContact O-CG 3.48Å; G1232-R1235 PolarHBondContact O-NE 3.34Å; R1235-Y1274 HydrophobicContact CG-CE1 4.31Å; R1235-W1330 PolarHBondContact O-NE1 3.07Å | ||
| 1236 | C | 80 | Confident | 83.9 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 12% | 0.122 | 25% | 0.254 | C | S | . | . | trans | -104.7 | 123 | 176.1 | -69.4 | 0 | 0 | 0 | 0 | 110.5 | R1238 D1241 L1242 K1329 | C1236-R1238 WeakPolarHBondContact CB-O 3.38Å; C1236-R1238 PolarHBondContact O-N 3.43Å; C1236-R1238 VanDerWaalsContact O-N 3.14Å; C1236-D1241 HydrophobicContact CB-CB 4.14Å; C1236-L1242 HydrophobicContact CB-CB 3.97Å; C1236-K1329 PolarHBondContact SG-NZ 3.31Å | ||
| 1237 | N | 77.7 | Confident | 83.8 | Confident | 161 Ų | 161 | 54.7 Ų | 54.7 | 86% | 0.861 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -71.3 | -2 | 175.2 | -59 | 2.1 | 0 | 0 | 0 | 113.1 | ||
| 1238 | R | 81.3 | Confident | 84 | Confident | 168 Ų | 168 | 50.6 Ų | 50.6 | 63% | 0.634 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -141.9 | 136.3 | 178 | -73.4 | -179.2 | 161.9 | -170.7 | -8.2 | 109.8 | C1236 E1240 D1241 L1242 | C1236-R1238 WeakPolarHBondContact CB-O 3.38Å; C1236-R1238 PolarHBondContact O-N 3.43Å; C1236-R1238 VanDerWaalsContact O-N 3.14Å; R1238-E1240 VanDerWaalsContact C-N 3.31Å; R1238-E1240 PolarHBondContact O-N 2.84Å; R1238-D1241 PolarHBondContact O-N 3.25Å; R1238-L1242 PolarHBondContact O-N 2.72Å |
| 1239 | E | 83.7 | Confident | 84.3 | Confident | 141 Ų | 141 | 51.7 Ų | 51.7 | 66% | 0.659 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63.1 | -36.6 | 176.8 | -63.1 | -179.2 | 153.9 | 0 | 0 | 112.1 | D1241 L1242 A1243 W1289 | E1239-D1241 VanDerWaalsContact C-N 3.25Å; E1239-D1241 PolarHBondContact O-N 3.32Å; E1239-L1242 PolarHBondContact O-N 3.16Å; E1239-L1242 VanDerWaalsContact O-N 3.08Å; E1239-A1243 WeakPolarHBondContact O-CB 3.22Å; E1239-A1243 PolarHBondContact O-N 3.05Å; E1239-W1289 HydrophobicContact CB-CH2 3.72Å; E1239-W1289 HydrophobicContact CB-CZ2 4.5Å; E1239-W1289 HydrophobicContact CB-CZ3 4.33Å; E1239-W1289 HydrophobicContact CG-CH2 3.88Å; E1239-W1289 HydrophobicContact CG-CZ2 4.25Å |
| 1240 | E | 85.1 | Confident | 84.5 | Confident | 117 Ų | 117 | 51.3 Ų | 51.3 | 55% | 0.547 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -54.4 | -39.7 | 174.3 | -76.5 | -164.3 | -106.4 | 0 | 0 | 112.8 | R1238 L1244 K1299 | R1238-E1240 VanDerWaalsContact C-N 3.31Å; R1238-E1240 PolarHBondContact O-N 2.84Å; E1240-L1244 VanDerWaalsContact O-CB 3.28Å; E1240-L1244 WeakPolarHBondContact O-CB 3.3Å; E1240-L1244 PolarHBondContact O-N 3.03Å; E1240-K1299 IonicContact OE2-NZ 3.43Å; E1240-K1299 PolarHBondContact OE2-NZ 3.38Å |
| 1241 | D | 84.5 | Confident | 84.7 | Confident | 52 Ų | 52 | 49.8 Ų | 49.8 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -73.3 | -33.1 | -179.9 | -53.2 | -26.5 | 0 | 0 | 0 | 111.9 | C1236 R1238 E1239 L1244 L1245 K1329 | C1236-D1241 HydrophobicContact CB-CB 4.14Å; R1238-D1241 PolarHBondContact O-N 3.25Å; E1239-D1241 VanDerWaalsContact C-N 3.25Å; E1239-D1241 PolarHBondContact O-N 3.32Å; D1241-L1244 PolarHBondContact O-N 3.07Å; D1241-L1245 WeakPolarHBondContact O-CD1 3.38Å; D1241-L1245 WeakPolarHBondContact O-CG 2.95Å; D1241-L1245 PolarHBondContact O-N 3.13Å; D1241-K1329 IonicContact OD2-NZ 2.75Å; D1241-K1329 PolarHBondContact OD2-NZ 3.18Å |
| 1242 | L | 88.7 | Confident | 85.1 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.7 | -46.1 | 175.5 | -179.6 | 57.8 | 0 | 0 | 0 | 109.9 | L1229 C1236 R1238 E1239 L1244 L1245 I1246 P1272 V1275 W1289 | L1229-L1242 HydrophobicContact CD2-CD1 4.04Å; C1236-L1242 HydrophobicContact CB-CB 3.97Å; R1238-L1242 PolarHBondContact O-N 2.72Å; E1239-L1242 PolarHBondContact O-N 3.16Å; E1239-L1242 VanDerWaalsContact O-N 3.08Å; L1242-L1244 VanDerWaalsContact C-N 3.26Å; L1242-L1244 PolarHBondContact O-N 3.07Å; L1242-L1245 PolarHBondContact O-N 3.16Å; L1242-I1246 HydrophobicContact CD1-CD1 4.01Å; L1242-I1246 HydrophobicContact CD1-CG1 4.27Å; L1242-I1246 HydrophobicContact CG-CD1 3.92Å; L1242-I1246 WeakPolarHBondContact O-CB 3.26Å; L1242-I1246 VanDerWaalsContact O-CG1 3.3Å; L1242-I1246 WeakPolarHBondContact O-CG1 3.06Å; L1242-I1246 PolarHBondContact O-N 3.46Å; L1242-P1272 HydrophobicContact CD1-CG 4.02Å; L1242-P1272 HydrophobicContact CD2-CG 3.92Å; L1242-V1275 HydrophobicContact CD2-CG2 4.43Å; L1242-W1289 HydrophobicContact CB-CH2 4.44Å; L1242-W1289 HydrophobicContact CB-CZ3 4.4Å; L1242-W1289 HydrophobicContact CD2-CH2 3.81Å; L1242-W1289 HydrophobicContact CD2-CZ2 4.47Å; L1242-W1289 HydrophobicContact CD2-CZ3 4.2Å; L1242-W1289 HydrophobicContact CG-CH2 4.34Å; L1242-W1289 HydrophobicContact CG-CZ3 4.28Å |
| 1243 | A | 89.1 | Confident | 85.8 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.5 | -37.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | E1239 A1247 W1289 V1293 A1296 | E1239-A1243 WeakPolarHBondContact O-CB 3.22Å; E1239-A1243 PolarHBondContact O-N 3.05Å; A1243-A1247 VanDerWaalsContact O-CB 3.23Å; A1243-A1247 WeakPolarHBondContact O-CB 3.3Å; A1243-A1247 PolarHBondContact O-N 2.88Å; A1243-W1289 HydrophobicContact CB-CZ3 4.3Å; A1243-V1293 HydrophobicContact CB-CG2 4.15Å; A1243-A1296 HydrophobicContact CB-CB 4Å |
| 1244 | L | 89.1 | Confident | 86.2 | Confident | 43 Ų | 43 | 49 Ų | 49 | 23% | 0.225 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 174.9 | -175.7 | 69.3 | 0 | 0 | 0 | 112.8 | E1240 D1241 L1242 A1247 Y1248 A1296 V1300 | E1240-L1244 VanDerWaalsContact O-CB 3.28Å; E1240-L1244 WeakPolarHBondContact O-CB 3.3Å; E1240-L1244 PolarHBondContact O-N 3.03Å; D1241-L1244 PolarHBondContact O-N 3.07Å; L1242-L1244 VanDerWaalsContact C-N 3.26Å; L1242-L1244 PolarHBondContact O-N 3.07Å; L1244-A1247 PolarHBondContact O-N 2.94Å; L1244-Y1248 HydrophobicContact CD1-CE2 3.95Å; L1244-Y1248 HydrophobicContact CD2-CE2 4.16Å; L1244-Y1248 HydrophobicContact CG-CD2 4.17Å; L1244-Y1248 HydrophobicContact CG-CE2 3.69Å; L1244-Y1248 WeakPolarHBondContact O-CD2 3.47Å; L1244-Y1248 PolarHBondContact O-N 2.73Å; L1244-A1296 HydrophobicContact CB-CB 4.43Å; L1244-V1300 HydrophobicContact CD1-CG2 3.59Å |
| 1245 | L | 89.5 | Confident | 86.1 | Confident | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.2 | -40.1 | 177.3 | -74.4 | 160.3 | 0 | 0 | 0 | 112 | L1229 D1241 L1242 A1247 Y1248 Q1249 V1322 W1330 | L1229-L1245 HydrophobicContact CD1-CB 4.08Å; L1229-L1245 HydrophobicContact CD1-CD1 4.16Å; L1229-L1245 HydrophobicContact CD2-CD1 4.27Å; D1241-L1245 WeakPolarHBondContact O-CD1 3.38Å; D1241-L1245 WeakPolarHBondContact O-CG 2.95Å; D1241-L1245 PolarHBondContact O-N 3.13Å; L1242-L1245 PolarHBondContact O-N 3.16Å; L1245-A1247 VanDerWaalsContact C-N 3.3Å; L1245-A1247 PolarHBondContact O-N 3.01Å; L1245-Y1248 PolarHBondContact O-N 2.84Å; L1245-Q1249 PolarHBondContact O-N 2.78Å; L1245-V1322 HydrophobicContact CD2-CG1 4.3Å; L1245-W1330 HydrophobicContact CD1-CH2 3.72Å; L1245-W1330 HydrophobicContact CD1-CZ2 4.3Å |
| 1246 | I | 90.4 | Very high | 85.9 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -37.1 | 172.2 | -65.9 | 171.6 | 0 | 0 | 0 | 110.5 | L1242 Q1249 Y1250 Y1270 L1271 V1293 | L1242-I1246 HydrophobicContact CD1-CD1 4.01Å; L1242-I1246 HydrophobicContact CD1-CG1 4.27Å; L1242-I1246 HydrophobicContact CG-CD1 3.92Å; L1242-I1246 WeakPolarHBondContact O-CB 3.26Å; L1242-I1246 VanDerWaalsContact O-CG1 3.3Å; L1242-I1246 WeakPolarHBondContact O-CG1 3.06Å; L1242-I1246 PolarHBondContact O-N 3.46Å; I1246-Q1249 PolarHBondContact O-N 2.74Å; I1246-Y1250 WeakPolarHBondContact O-CB 3.43Å; I1246-Y1250 PolarHBondContact O-N 2.92Å; I1246-Y1270 HydrophobicContact CG2-CD2 3.93Å; I1246-Y1270 HydrophobicContact CG2-CG 4.23Å; I1246-L1271 HydrophobicContact CD1-CD2 3.78Å; I1246-L1271 HydrophobicContact CD1-CG 4.35Å; I1246-V1293 HydrophobicContact CB-CG2 4.05Å; I1246-V1293 HydrophobicContact CG2-CG1 4Å; I1246-V1293 HydrophobicContact CG2-CG2 3.72Å |
| 1247 | A | 90.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1243 L1244 L1245 Q1249 F1251 F1258 V1293 A1296 V1300 | A1243-A1247 VanDerWaalsContact O-CB 3.23Å; A1243-A1247 WeakPolarHBondContact O-CB 3.3Å; A1243-A1247 PolarHBondContact O-N 2.88Å; L1244-A1247 PolarHBondContact O-N 2.94Å; L1245-A1247 VanDerWaalsContact C-N 3.3Å; L1245-A1247 PolarHBondContact O-N 3.01Å; A1247-Q1249 VanDerWaalsContact C-N 3.34Å; A1247-F1251 WeakPolarHBondContact O-CB 3.26Å; A1247-F1251 PolarHBondContact O-N 2.62Å; A1247-F1258 HydrophobicContact CB-CE1 3.95Å; A1247-F1258 HydrophobicContact CB-CZ 4.17Å; A1247-F1258 WeakPolarHBondContact O-CZ 3.42Å; A1247-V1293 HydrophobicContact CB-CG1 4.21Å; A1247-A1296 HydrophobicContact CB-CB 4.15Å; A1247-V1300 HydrophobicContact CB-CG2 4.3Å |
| 1248 | Y | 90.2 | Very high | 85.8 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -36.9 | 171.1 | -72.6 | -60 | 0 | 0 | 0 | 112.2 | L1244 L1245 F1251 V1252 V1300 V1318 T1321 V1322 L1325 | L1244-Y1248 HydrophobicContact CD1-CE2 3.95Å; L1244-Y1248 HydrophobicContact CD2-CE2 4.16Å; L1244-Y1248 HydrophobicContact CG-CD2 4.17Å; L1244-Y1248 HydrophobicContact CG-CE2 3.69Å; L1244-Y1248 WeakPolarHBondContact O-CD2 3.47Å; L1244-Y1248 PolarHBondContact O-N 2.73Å; L1245-Y1248 PolarHBondContact O-N 2.84Å; Y1248-F1251 PolarHBondContact O-N 2.92Å; Y1248-V1252 WeakPolarHBondContact O-CG2 3.35Å; Y1248-V1252 PolarHBondContact O-N 2.88Å; Y1248-V1252 VanDerWaalsContact O-N 3.14Å; Y1248-V1300 HydrophobicContact CD1-CB 4.48Å; Y1248-V1300 HydrophobicContact CD1-CG1 3.75Å; Y1248-V1300 HydrophobicContact CD1-CG2 3.82Å; Y1248-V1300 HydrophobicContact CD2-CG2 4.44Å; Y1248-V1300 HydrophobicContact CE1-CB 4.2Å; Y1248-V1300 HydrophobicContact CE1-CG1 3.6Å; Y1248-V1300 HydrophobicContact CE1-CG2 3.62Å; Y1248-V1300 HydrophobicContact CE2-CG2 4.24Å; Y1248-V1300 HydrophobicContact CG-CG2 4.25Å; Y1248-V1318 HydrophobicContact CD1-CG1 3.69Å; Y1248-V1318 HydrophobicContact CG-CG1 4.21Å; Y1248-T1321 HydrophobicContact CE1-CG2 4.03Å; Y1248-T1321 HydrophobicContact CE2-CG2 4.34Å; Y1248-V1322 HydrophobicContact CD2-CG2 4.23Å; Y1248-V1322 HydrophobicContact CG-CG2 4.05Å; Y1248-L1325 HydrophobicContact CD2-CD1 4.16Å; Y1248-L1325 HydrophobicContact CE2-CD1 3.55Å |
| 1249 | Q | 90.2 | Very high | 85.8 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 13% | 0.126 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.2 | -47.6 | 175.2 | 177.2 | 163.5 | 4.1 | 0 | 0 | 111.8 | T1226 L1245 I1246 A1247 F1251 V1252 D1253 Y1270 | T1226-Q1249 HydrophobicContact CG2-CB 4.3Å; T1226-Q1249 HydrophobicContact CG2-CG 4.23Å; T1226-Q1249 VanDerWaalsContact CG2-OE1 3.32Å; L1245-Q1249 PolarHBondContact O-N 2.78Å; I1246-Q1249 PolarHBondContact O-N 2.74Å; A1247-Q1249 VanDerWaalsContact C-N 3.34Å; Q1249-F1251 PolarHBondContact O-N 3.03Å; Q1249-V1252 PolarHBondContact O-N 2.9Å; Q1249-D1253 WeakPolarHBondContact CG-OD2 3.33Å; Q1249-D1253 PolarHBondContact NE2-OD2 2.85Å; Q1249-D1253 PolarHBondContact O-N 2.77Å; Q1249-Y1270 VanDerWaalsContact CD-CD1 3.47Å; Q1249-Y1270 HydrophobicContact CG-CD1 4Å; Q1249-Y1270 HydrophobicContact CG-CE1 3.9Å; Q1249-Y1270 VanDerWaalsContact NE2-CD1 3.34Å |
| 1250 | Y | 89.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.4 | -38.7 | 174 | -171.6 | -80.9 | 0 | 0 | 0 | 111.9 | I1246 V1252 D1253 Y1254 Y1257 F1258 Q1262 L1263 V1266 Y1270 | I1246-Y1250 WeakPolarHBondContact O-CB 3.43Å; I1246-Y1250 PolarHBondContact O-N 2.92Å; Y1250-V1252 VanDerWaalsContact C-N 3.35Å; Y1250-V1252 PolarHBondContact O-N 2.8Å; Y1250-D1253 PolarHBondContact O-N 3.42Å; Y1250-Y1254 AromaticContact CD2-CD2 3.79Å; Y1250-Y1254 HydrophobicContact CD2-CD2 3.79Å; Y1250-Y1254 HydrophobicContact CD2-CE2 4.43Å; Y1250-Y1254 HydrophobicContact CE1-CD2 4.37Å; Y1250-Y1254 AromaticContact CE2-CD2 3.57Å; Y1250-Y1254 HydrophobicContact CE2-CD2 3.57Å; Y1250-Y1254 HydrophobicContact CE2-CE2 4.23Å; Y1250-Y1254 HydrophobicContact CE2-CG 4.38Å; Y1250-Y1254 HydrophobicContact CG-CD2 4.28Å; Y1250-Y1254 AromaticContact CZ-CD2 3.89Å; Y1250-Y1254 PolarHBondContact O-N 3.27Å; Y1250-Y1257 WeakPolarHBondContact CE1-O 3.39Å; Y1250-F1258 AromaticContact CD1-CD1 3.69Å; Y1250-F1258 HydrophobicContact CD1-CD1 3.69Å; Y1250-F1258 AromaticContact CD1-CE1 3.69Å; Y1250-F1258 HydrophobicContact CD1-CE1 3.69Å; Y1250-F1258 HydrophobicContact CD1-CG 4.39Å; Y1250-F1258 HydrophobicContact CD1-CZ 4.39Å; Y1250-F1258 HydrophobicContact CE1-CD1 4.17Å; Y1250-F1258 HydrophobicContact CG-CD1 4.28Å; Y1250-F1258 HydrophobicContact CG-CE1 4.12Å; Y1250-Q1262 WeakPolarHBondContact OH-CG 3.28Å; Y1250-Q1262 PolarHBondContact OH-OE1 3.15Å; Y1250-Q1262 VanDerWaalsContact OH-OE1 3.04Å; Y1250-L1263 HydrophobicContact CD2-CB 4.49Å; Y1250-L1263 HydrophobicContact CD2-CD1 3.51Å; Y1250-L1263 HydrophobicContact CE2-CB 3.9Å; Y1250-L1263 HydrophobicContact CE2-CD1 3.8Å; Y1250-L1263 HydrophobicContact CE2-CG 4.42Å; Y1250-L1263 HydrophobicContact CG-CD1 4.34Å; Y1250-V1266 HydrophobicContact CD2-CG2 4.22Å; Y1250-V1266 HydrophobicContact CE2-CG2 3.98Å; Y1250-Y1270 HydrophobicContact CD2-CE2 4.14Å |
| 1251 | F | 87.6 | Confident | 85.6 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 2% | 0.022 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -38.2 | 174.7 | -173.4 | -73.8 | 0 | 0 | 0 | 112.9 | A1247 Y1248 Q1249 G1255 Y1256 F1258 L1301 L1304 V1318 | A1247-F1251 WeakPolarHBondContact O-CB 3.26Å; A1247-F1251 PolarHBondContact O-N 2.62Å; Y1248-F1251 PolarHBondContact O-N 2.92Å; Q1249-F1251 PolarHBondContact O-N 3.03Å; F1251-G1255 WeakPolarHBondContact CA-O 3.21Å; F1251-G1255 WeakPolarHBondContact O-CA 3.44Å; F1251-G1255 PolarHBondContact O-N 2.98Å; F1251-Y1256 VanDerWaalsContact CE2-CB 3.49Å; F1251-F1258 HydrophobicContact CB-CZ 4.42Å; F1251-L1301 HydrophobicContact CE2-CD2 4.33Å; F1251-L1304 HydrophobicContact CD2-CD1 4.05Å; F1251-L1304 HydrophobicContact CE1-CD1 4.42Å; F1251-L1304 HydrophobicContact CE2-CD1 3.39Å; F1251-L1304 HydrophobicContact CZ-CD1 3.62Å; F1251-V1318 HydrophobicContact CD1-CB 4.2Å; F1251-V1318 HydrophobicContact CD1-CG1 4.29Å; F1251-V1318 HydrophobicContact CD1-CG2 3.64Å; F1251-V1318 HydrophobicContact CE1-CB 4.5Å; F1251-V1318 HydrophobicContact CE1-CG2 3.63Å; F1251-V1318 HydrophobicContact CG-CG2 4.38Å; F1251-V1318 HydrophobicContact CZ-CG2 4.32Å |
| 1252 | V | 87.4 | Confident | 85.7 | Confident | 25 Ų | 25 | 45.7 Ų | 45.7 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.8 | -42.5 | 176.7 | 169.4 | 0 | 0 | 0 | 0 | 111 | Y1222 Y1248 Q1249 Y1250 V1315 V1318 Q1319 | Y1222-V1252 HydrophobicContact CE1-CG1 3.91Å; Y1222-V1252 HydrophobicContact CE2-CG2 4.07Å; Y1222-V1252 WeakPolarHBondContact OH-CB 3.49Å; Y1222-V1252 WeakPolarHBondContact OH-CG1 3.34Å; Y1248-V1252 WeakPolarHBondContact O-CG2 3.35Å; Y1248-V1252 PolarHBondContact O-N 2.88Å; Y1248-V1252 VanDerWaalsContact O-N 3.14Å; Q1249-V1252 PolarHBondContact O-N 2.9Å; Y1250-V1252 VanDerWaalsContact C-N 3.35Å; Y1250-V1252 PolarHBondContact O-N 2.8Å; V1252-V1315 HydrophobicContact CB-CG1 4.23Å; V1252-V1315 HydrophobicContact CG1-CG1 3.82Å; V1252-V1315 HydrophobicContact CG2-CG1 4.08Å; V1252-V1318 HydrophobicContact CG2-CB 4.24Å; V1252-V1318 HydrophobicContact CG2-CG1 3.75Å; V1252-Q1319 HydrophobicContact CG2-CG 4.14Å |
| 1253 | D | 87.6 | Confident | 85.6 | Confident | 67 Ų | 67 | 45.4 Ų | 45.4 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -81.2 | -30.4 | -173.7 | -65.2 | -26.6 | 0 | 0 | 0 | 113.1 | Q1249 Y1250 Y1270 | Q1249-D1253 WeakPolarHBondContact CG-OD2 3.33Å; Q1249-D1253 PolarHBondContact NE2-OD2 2.85Å; Q1249-D1253 PolarHBondContact O-N 2.77Å; Y1250-D1253 PolarHBondContact O-N 3.42Å; D1253-Y1270 WeakPolarHBondContact OD2-CE1 3.4Å; D1253-Y1270 PolarHBondContact OD2-OH 2.84Å; D1253-Y1270 VanDerWaalsContact OD2-OH 3.14Å |
| 1254 | Y | 85.4 | Confident | 85.5 | Confident | 105 Ų | 105 | 49.8 Ų | 49.8 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -134.2 | -1.2 | -174.1 | -60.8 | -61.6 | 0 | 0 | 0 | 115.9 | Y1250 V1266 Y1270 | Y1250-Y1254 AromaticContact CD2-CD2 3.79Å; Y1250-Y1254 HydrophobicContact CD2-CD2 3.79Å; Y1250-Y1254 HydrophobicContact CD2-CE2 4.43Å; Y1250-Y1254 HydrophobicContact CE1-CD2 4.37Å; Y1250-Y1254 AromaticContact CE2-CD2 3.57Å; Y1250-Y1254 HydrophobicContact CE2-CD2 3.57Å; Y1250-Y1254 HydrophobicContact CE2-CE2 4.23Å; Y1250-Y1254 HydrophobicContact CE2-CG 4.38Å; Y1250-Y1254 HydrophobicContact CG-CD2 4.28Å; Y1250-Y1254 AromaticContact CZ-CD2 3.89Å; Y1250-Y1254 PolarHBondContact O-N 3.27Å; Y1254-V1266 HydrophobicContact CE2-CB 4.42Å; Y1254-V1266 HydrophobicContact CE2-CG1 4.23Å; Y1254-V1266 HydrophobicContact CE2-CG2 3.98Å; Y1254-Y1270 VanDerWaalsContact CE2-OH 3.26Å; Y1254-Y1270 WeakPolarHBondContact CE2-OH 3.29Å |
| 1255 | G | 80.3 | Confident | 85.3 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 26% | 0.258 | 26% | 0.258 | S | S | . | . | trans | 82.2 | -165.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | F1251 Y1257 | F1251-G1255 WeakPolarHBondContact CA-O 3.21Å; F1251-G1255 WeakPolarHBondContact O-CA 3.44Å; F1251-G1255 PolarHBondContact O-N 2.98Å; G1255-Y1257 VanDerWaalsContact C-N 3.31Å; G1255-Y1257 PolarHBondContact O-N 2.82Å | ||
| 1256 | Y | 75.6 | Confident | 85.2 | Confident | 108 Ų | 108 | 51.2 Ų | 51.2 | 42% | 0.424 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -81 | -1 | -165.3 | 67.4 | -98.7 | 0 | 0 | 0 | 115.8 | F1251 T1313 | F1251-Y1256 VanDerWaalsContact CE2-CB 3.49Å; Y1256-T1313 HydrophobicContact CD1-CG2 4.49Å; Y1256-T1313 HydrophobicContact CE1-CG2 4.49Å |
| 1257 | Y | 76.9 | Confident | 85 | Confident | 144 Ų | 144 | 51 Ų | 51 | 57% | 0.565 | 26% | 0.26 | S | S | * | . | trans | -95.9 | 100.1 | -179.1 | -70.7 | -76.3 | 0 | 0 | 0 | 111.6 | Y1250 G1255 E1259 | Y1250-Y1257 WeakPolarHBondContact CE1-O 3.39Å; G1255-Y1257 VanDerWaalsContact C-N 3.31Å; G1255-Y1257 PolarHBondContact O-N 2.82Å; Y1257-E1259 VanDerWaalsContact C-N 3.32Å; Y1257-E1259 PolarHBondContact O-N 3.34Å | ||
| 1258 | F | 79.4 | Confident | 84.8 | Confident | 31 Ų | 31 | 55.3 Ų | 55.3 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | trans | -81.5 | 71.1 | 177.9 | -71.3 | -91.6 | 0 | 0 | 0 | 112.1 | A1247 Y1250 F1251 L1301 | A1247-F1258 HydrophobicContact CB-CE1 3.95Å; A1247-F1258 HydrophobicContact CB-CZ 4.17Å; A1247-F1258 WeakPolarHBondContact O-CZ 3.42Å; Y1250-F1258 AromaticContact CD1-CD1 3.69Å; Y1250-F1258 HydrophobicContact CD1-CD1 3.69Å; Y1250-F1258 AromaticContact CD1-CE1 3.69Å; Y1250-F1258 HydrophobicContact CD1-CE1 3.69Å; Y1250-F1258 HydrophobicContact CD1-CG 4.39Å; Y1250-F1258 HydrophobicContact CD1-CZ 4.39Å; Y1250-F1258 HydrophobicContact CE1-CD1 4.17Å; Y1250-F1258 HydrophobicContact CG-CD1 4.28Å; Y1250-F1258 HydrophobicContact CG-CE1 4.12Å; F1251-F1258 HydrophobicContact CB-CZ 4.42Å; F1258-L1301 HydrophobicContact CD2-CD1 4.13Å; F1258-L1301 HydrophobicContact CE2-CD1 4.33Å; F1258-L1301 HydrophobicContact CE2-CG 4.31Å | ||
| 1259 | E | 81.2 | Confident | 84.6 | Confident | 118 Ų | 118 | 60 Ų | 60 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | trans | -71.5 | 126.3 | 174.9 | -66.7 | -167.1 | 179.3 | 0 | 0 | 111.9 | Y1257 D1261 Q1262 L1263 | Y1257-E1259 VanDerWaalsContact C-N 3.32Å; Y1257-E1259 PolarHBondContact O-N 3.34Å; E1259-D1261 PolarHBondContact O-N 3.34Å; E1259-Q1262 HydrophobicContact CB-CB 4.15Å; E1259-Q1262 PolarHBondContact O-N 2.96Å; E1259-L1263 VanDerWaalsContact O-CB 3.3Å; E1259-L1263 WeakPolarHBondContact O-CB 3.45Å; E1259-L1263 PolarHBondContact O-N 3.22Å | ||
| 1260 | A | 82.7 | Confident | 84.5 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 31% | 0.314 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1264 V1290 I1294 | A1260-R1264 VanDerWaalsContact O-CB 3.32Å; A1260-R1264 WeakPolarHBondContact O-CB 3.41Å; A1260-R1264 PolarHBondContact O-N 3.27Å; A1260-V1290 HydrophobicContact CB-CG1 4.49Å; A1260-I1294 HydrophobicContact CB-CD1 3.8Å |
| 1261 | D | 83.1 | Confident | 84.4 | Confident | 121 Ų | 121 | 59.6 Ų | 59.6 | 65% | 0.647 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -73.6 | -40.5 | -178.3 | -62.8 | -29.9 | 0 | 0 | 0 | 111.8 | E1259 R1264 G1265 | E1259-D1261 PolarHBondContact O-N 3.34Å; D1261-R1264 PolarHBondContact O-N 3.46Å; D1261-R1264 IonicContact OD1-CZ 3.69Å; D1261-R1264 IonicContact OD1-NH1 3.91Å; D1261-R1264 PolarHBondContact OD1-NH1 3.34Å; D1261-R1264 IonicContact OD1-NH2 2.72Å; D1261-G1265 PolarHBondContact O-N 3.18Å |
| 1262 | Q | 85.9 | Confident | 84.2 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 34% | 0.341 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62 | -49.1 | 172.1 | -174.9 | 179.7 | 8.1 | 0 | 0 | 110.8 | Y1250 E1259 R1264 G1265 V1266 | Y1250-Q1262 WeakPolarHBondContact OH-CG 3.28Å; Y1250-Q1262 PolarHBondContact OH-OE1 3.15Å; Y1250-Q1262 VanDerWaalsContact OH-OE1 3.04Å; E1259-Q1262 HydrophobicContact CB-CB 4.15Å; E1259-Q1262 PolarHBondContact O-N 2.96Å; Q1262-R1264 PolarHBondContact O-N 2.59Å; Q1262-G1265 PolarHBondContact O-N 3.33Å; Q1262-G1265 VanDerWaalsContact O-N 3.13Å; Q1262-V1266 WeakPolarHBondContact O-CG2 3.36Å; Q1262-V1266 PolarHBondContact O-N 2.91Å |
| 1263 | L | 86.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.3 | -43 | 177.6 | 178 | 61.6 | 0 | 0 | 0 | 112.2 | Y1250 E1259 G1265 V1266 V1267 V1290 V1293 I1294 | Y1250-L1263 HydrophobicContact CD2-CB 4.49Å; Y1250-L1263 HydrophobicContact CD2-CD1 3.51Å; Y1250-L1263 HydrophobicContact CE2-CB 3.9Å; Y1250-L1263 HydrophobicContact CE2-CD1 3.8Å; Y1250-L1263 HydrophobicContact CE2-CG 4.42Å; Y1250-L1263 HydrophobicContact CG-CD1 4.34Å; E1259-L1263 VanDerWaalsContact O-CB 3.3Å; E1259-L1263 WeakPolarHBondContact O-CB 3.45Å; E1259-L1263 PolarHBondContact O-N 3.22Å; L1263-G1265 PolarHBondContact O-N 2.95Å; L1263-V1266 PolarHBondContact O-N 3.01Å; L1263-V1266 VanDerWaalsContact O-N 3.09Å; L1263-V1267 HydrophobicContact CD1-CB 4.04Å; L1263-V1267 HydrophobicContact CD1-CG2 4.32Å; L1263-V1267 HydrophobicContact CG-CB 4.47Å; L1263-V1267 WeakPolarHBondContact O-CB 3.08Å; L1263-V1267 PolarHBondContact O-N 3.14Å; L1263-V1290 HydrophobicContact CD2-CG1 4.18Å; L1263-V1290 HydrophobicContact CG-CG1 4.5Å; L1263-V1290 HydrophobicContact CG-CG2 4.38Å; L1263-V1293 HydrophobicContact CD1-CG1 3.97Å; L1263-V1293 HydrophobicContact CD2-CB 4.03Å; L1263-V1293 HydrophobicContact CD2-CG1 3.77Å; L1263-I1294 HydrophobicContact CD2-CD1 4.24Å; L1263-I1294 HydrophobicContact CD2-CG1 3.69Å |
| 1264 | R | 87.3 | Confident | 83.3 | Confident | 92 Ų | 92 | 62.1 Ų | 62.1 | 35% | 0.347 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.5 | -36.5 | 176.2 | -172.1 | -173.5 | -64.6 | 111.4 | 2.2 | 112.3 | A1260 D1261 Q1262 V1266 V1286 E1287 V1290 | A1260-R1264 VanDerWaalsContact O-CB 3.32Å; A1260-R1264 WeakPolarHBondContact O-CB 3.41Å; A1260-R1264 PolarHBondContact O-N 3.27Å; D1261-R1264 PolarHBondContact O-N 3.46Å; D1261-R1264 IonicContact OD1-CZ 3.69Å; D1261-R1264 IonicContact OD1-NH1 3.91Å; D1261-R1264 PolarHBondContact OD1-NH1 3.34Å; D1261-R1264 IonicContact OD1-NH2 2.72Å; Q1262-R1264 PolarHBondContact O-N 2.59Å; R1264-V1266 VanDerWaalsContact C-N 3.34Å; R1264-V1266 PolarHBondContact O-N 3.25Å; R1264-V1286 HydrophobicContact CG-CG1 4.31Å; R1264-E1287 IonicContact CZ-OE1 3.41Å; R1264-E1287 IonicContact CZ-OE2 2.7Å; R1264-E1287 IonicContact NE-OE1 2.65Å; R1264-E1287 IonicContact NE-OE2 2.8Å; R1264-E1287 PolarHBondContact NE-OE2 3.2Å; R1264-E1287 IonicContact NH2-OE1 3.08Å; R1264-E1287 PolarHBondContact NH2-OE1 3.22Å; R1264-E1287 IonicContact NH2-OE2 2.69Å; R1264-E1287 PolarHBondContact NH2-OE2 3.49Å; R1264-V1290 HydrophobicContact CB-CG2 3.94Å; R1264-V1290 HydrophobicContact CG-CG2 4.3Å |
| 1265 | G | 84 | Confident | 83 | Confident | 64 Ų | 64 | 58.4 Ų | 58.4 | 66% | 0.66 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -71.2 | -21.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D1261 Q1262 L1263 | D1261-G1265 PolarHBondContact O-N 3.18Å; Q1262-G1265 PolarHBondContact O-N 3.33Å; Q1262-G1265 VanDerWaalsContact O-N 3.13Å; L1263-G1265 PolarHBondContact O-N 2.95Å |
| 1266 | V | 88.5 | Confident | 82.8 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -120.4 | -17.8 | -171 | -56.6 | 0 | 0 | 0 | 0 | 114.9 | Y1250 Y1254 Q1262 L1263 R1264 Q1268 N1269 Y1270 | Y1250-V1266 HydrophobicContact CD2-CG2 4.22Å; Y1250-V1266 HydrophobicContact CE2-CG2 3.98Å; Y1254-V1266 HydrophobicContact CE2-CB 4.42Å; Y1254-V1266 HydrophobicContact CE2-CG1 4.23Å; Y1254-V1266 HydrophobicContact CE2-CG2 3.98Å; Q1262-V1266 WeakPolarHBondContact O-CG2 3.36Å; Q1262-V1266 PolarHBondContact O-N 2.91Å; L1263-V1266 PolarHBondContact O-N 3.01Å; L1263-V1266 VanDerWaalsContact O-N 3.09Å; R1264-V1266 VanDerWaalsContact C-N 3.34Å; R1264-V1266 PolarHBondContact O-N 3.25Å; V1266-Q1268 PolarHBondContact O-N 2.94Å; V1266-Q1268 VanDerWaalsContact O-N 3.13Å; V1266-N1269 VanDerWaalsContact O-CB 3.27Å; V1266-N1269 WeakPolarHBondContact O-CB 3.28Å; V1266-N1269 PolarHBondContact O-N 2.74Å; V1266-Y1270 HydrophobicContact CB-CE2 4.39Å; V1266-Y1270 HydrophobicContact CG2-CE2 3.83Å |
| 1267 | V | 86.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.6 | -28.4 | -171.3 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | L1263 N1269 Y1270 L1271 V1286 W1289 V1290 | L1263-V1267 HydrophobicContact CD1-CB 4.04Å; L1263-V1267 HydrophobicContact CD1-CG2 4.32Å; L1263-V1267 HydrophobicContact CG-CB 4.47Å; L1263-V1267 WeakPolarHBondContact O-CB 3.08Å; L1263-V1267 PolarHBondContact O-N 3.14Å; V1267-N1269 PolarHBondContact O-N 2.8Å; V1267-Y1270 PolarHBondContact O-N 2.99Å; V1267-L1271 HydrophobicContact CG2-CD1 4.05Å; V1267-L1271 HydrophobicContact CG2-CG 4.04Å; V1267-L1271 WeakPolarHBondContact O-CG 3.45Å; V1267-L1271 PolarHBondContact O-N 3.39Å; V1267-V1286 HydrophobicContact CG1-CG1 3.81Å; V1267-W1289 HydrophobicContact CG2-CB 4.45Å; V1267-V1290 HydrophobicContact CG1-CG2 4Å |
| 1268 | Q | 85.5 | Confident | 81.9 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.4 | -25 | 173.2 | -65.3 | -177.1 | 8.3 | 0 | 0 | 113.5 | K1230 V1266 Y1270 V1286 | K1230-Q1268 PolarHBondContact NZ-O 3.35Å; V1266-Q1268 PolarHBondContact O-N 2.94Å; V1266-Q1268 VanDerWaalsContact O-N 3.13Å; Q1268-Y1270 VanDerWaalsContact C-N 3.31Å; Q1268-V1286 HydrophobicContact CG-CG2 3.74Å |
| 1269 | N | 85.6 | Confident | 81.7 | Confident | 107 Ų | 107 | 56.4 Ų | 56.4 | 57% | 0.572 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -75.9 | -21.8 | 176.4 | -58.4 | -31.1 | 0 | 0 | 0 | 112.1 | K1230 V1266 V1267 | K1230-N1269 WeakPolarHBondContact CD-O 3.5Å; K1230-N1269 WeakPolarHBondContact CE-O 3.37Å; V1266-N1269 VanDerWaalsContact O-CB 3.27Å; V1266-N1269 WeakPolarHBondContact O-CB 3.28Å; V1266-N1269 PolarHBondContact O-N 2.74Å; V1267-N1269 PolarHBondContact O-N 2.8Å |
| 1270 | Y | 88.2 | Confident | 81.4 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -101.2 | -30.4 | -179.3 | -51.4 | -42.6 | 0 | 0 | 0 | 113.2 | I1246 Q1249 Y1250 D1253 Y1254 V1266 V1267 Q1268 | I1246-Y1270 HydrophobicContact CG2-CD2 3.93Å; I1246-Y1270 HydrophobicContact CG2-CG 4.23Å; Q1249-Y1270 VanDerWaalsContact CD-CD1 3.47Å; Q1249-Y1270 HydrophobicContact CG-CD1 4Å; Q1249-Y1270 HydrophobicContact CG-CE1 3.9Å; Q1249-Y1270 VanDerWaalsContact NE2-CD1 3.34Å; Y1250-Y1270 HydrophobicContact CD2-CE2 4.14Å; D1253-Y1270 WeakPolarHBondContact OD2-CE1 3.4Å; D1253-Y1270 PolarHBondContact OD2-OH 2.84Å; D1253-Y1270 VanDerWaalsContact OD2-OH 3.14Å; Y1254-Y1270 VanDerWaalsContact CE2-OH 3.26Å; Y1254-Y1270 WeakPolarHBondContact CE2-OH 3.29Å; V1266-Y1270 HydrophobicContact CB-CE2 4.39Å; V1266-Y1270 HydrophobicContact CG2-CE2 3.83Å; V1267-Y1270 PolarHBondContact O-N 2.99Å; Q1268-Y1270 VanDerWaalsContact C-N 3.31Å |
| 1271 | L | 86.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -64.2 | 133 | 176.9 | -74.4 | 168.7 | 0 | 0 | 0 | 110.9 | K1230 I1246 V1267 L1276 W1289 | K1230-L1271 WeakPolarHBondContact CD-O 3.27Å; K1230-L1271 WeakPolarHBondContact CE-O 3.23Å; K1230-L1271 PolarHBondContact NZ-O 3.23Å; I1246-L1271 HydrophobicContact CD1-CD2 3.78Å; I1246-L1271 HydrophobicContact CD1-CG 4.35Å; V1267-L1271 HydrophobicContact CG2-CD1 4.05Å; V1267-L1271 HydrophobicContact CG2-CG 4.04Å; V1267-L1271 WeakPolarHBondContact O-CG 3.45Å; V1267-L1271 PolarHBondContact O-N 3.39Å; L1271-L1276 HydrophobicContact CD1-CD2 4.31Å; L1271-W1289 HydrophobicContact CD1-CB 3.96Å; L1271-W1289 HydrophobicContact CD1-CG 3.88Å; L1271-W1289 HydrophobicContact CD2-CB 4.12Å; L1271-W1289 HydrophobicContact CD2-CD2 3.4Å; L1271-W1289 VanDerWaalsContact CD2-CD2 3.4Å; L1271-W1289 HydrophobicContact CD2-CE3 3.72Å; L1271-W1289 HydrophobicContact CD2-CG 3.56Å; L1271-W1289 HydrophobicContact CD2-CZ2 4.45Å; L1271-W1289 HydrophobicContact CD2-CZ3 4.36Å; L1271-W1289 HydrophobicContact CG-CG 4.37Å |
| 1272 | P | 84 | Confident | 81.2 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -60.3 | 142.5 | 175.3 | -19.8 | 30.7 | 0 | 0 | 0 | 111.9 | L1229 K1230 L1242 Y1274 V1275 | L1229-P1272 WeakPolarHBondContact O-CB 3.2Å; L1229-P1272 WeakPolarHBondContact O-CG 3.15Å; K1230-P1272 VanDerWaalsContact O-CA 3.28Å; K1230-P1272 WeakPolarHBondContact O-CA 3.48Å; L1242-P1272 HydrophobicContact CD1-CG 4.02Å; L1242-P1272 HydrophobicContact CD2-CG 3.92Å; P1272-Y1274 HydrophobicContact CB-CD1 3.59Å; P1272-Y1274 HydrophobicContact CB-CE1 3.31Å; P1272-Y1274 HydrophobicContact CB-CG 4.39Å; P1272-Y1274 HydrophobicContact CG-CE1 3.97Å; P1272-Y1274 PolarHBondContact O-N 3.04Å; P1272-V1275 HydrophobicContact CB-CG2 4.11Å; P1272-V1275 HydrophobicContact CG-CG2 4.17Å; P1272-V1275 WeakPolarHBondContact O-CB 3.41Å; P1272-V1275 PolarHBondContact O-N 2.88Å | ||
| 1273 | D | 77.9 | Confident | 80.9 | Confident | 67 Ų | 67 | 64.6 Ų | 64.6 | 36% | 0.358 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -58.9 | -37.3 | -173.8 | -59.2 | -37.7 | 0 | 0 | 0 | 112.2 | K1230 V1275 L1276 D1277 | K1230-D1273 VanDerWaalsContact CE-OD1 3.3Å; K1230-D1273 WeakPolarHBondContact CE-OD1 3.39Å; K1230-D1273 IonicContact NZ-OD1 3.39Å; K1230-D1273 PolarHBondContact NZ-OD1 3.49Å; K1230-D1273 PolarHBondContact O-N 2.98Å; D1273-V1275 PolarHBondContact O-N 3.47Å; D1273-L1276 PolarHBondContact O-N 2.98Å; D1273-D1277 PolarHBondContact O-N 2.88Å; D1273-D1277 VanDerWaalsContact O-N 3.1Å |
| 1274 | Y | 78 | Confident | 80.7 | Confident | 84 Ų | 84 | 67.3 Ų | 67.3 | 33% | 0.329 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -63.7 | -9.7 | 176.4 | 75.9 | -100.7 | 0 | 0 | 0 | 115.3 | R1235 P1272 | R1235-Y1274 HydrophobicContact CG-CE1 4.31Å; P1272-Y1274 HydrophobicContact CB-CD1 3.59Å; P1272-Y1274 HydrophobicContact CB-CE1 3.31Å; P1272-Y1274 HydrophobicContact CB-CG 4.39Å; P1272-Y1274 HydrophobicContact CG-CE1 3.97Å; P1272-Y1274 PolarHBondContact O-N 3.04Å |
| 1275 | V | 79.9 | Confident | 80.5 | Confident | 27 Ų | 27 | 64 Ų | 64 | 16% | 0.164 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -90 | -14.1 | 175.6 | -180 | 0 | 0 | 0 | 0 | 111.4 | L1242 P1272 D1273 W1289 | L1242-V1275 HydrophobicContact CD2-CG2 4.43Å; P1272-V1275 HydrophobicContact CB-CG2 4.11Å; P1272-V1275 HydrophobicContact CG-CG2 4.17Å; P1272-V1275 WeakPolarHBondContact O-CB 3.41Å; P1272-V1275 PolarHBondContact O-N 2.88Å; D1273-V1275 PolarHBondContact O-N 3.47Å; V1275-W1289 HydrophobicContact CG1-CZ2 3.74Å |
| 1276 | L | 76.2 | Confident | 80.5 | Confident | 33 Ų | 33 | 61.3 Ų | 61.3 | 17% | 0.173 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -27.5 | 177.5 | -57 | 178 | 0 | 0 | 0 | 111.9 | L1271 D1273 G1278 V1279 | L1271-L1276 HydrophobicContact CD1-CD2 4.31Å; D1273-L1276 PolarHBondContact O-N 2.98Å; L1276-G1278 PolarHBondContact O-N 3.13Å; L1276-V1279 PolarHBondContact O-N 2.76Å |
| 1277 | D | 70.2 | Confident | 80.4 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 52% | 0.519 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 120.4 | 173.4 | -75.5 | -34.4 | 0 | 0 | 0 | 112 | D1273 | D1273-D1277 PolarHBondContact O-N 2.88Å; D1273-D1277 VanDerWaalsContact O-N 3.1Å |
| 1278 | G | 63.3 | Low | 80.4 | Confident | 81 Ų | 81 | 66.6 Ų | 66.6 | 84% | 0.835 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 17.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116 | L1276 | L1276-G1278 PolarHBondContact O-N 3.13Š|
| 1279 | V | 74.5 | Confident | 80.7 | Confident | 55 Ų | 55 | 63.1 Ų | 63.1 | 33% | 0.333 | 36% | 0.355 | S | S | . | . | trans | -101.8 | 116.5 | 177.5 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | L1276 D1281 | L1276-V1279 PolarHBondContact O-N 2.76Å; V1279-D1281 PolarHBondContact O-N 2.95Å | ||
| 1280 | D | 75.4 | Confident | 80.8 | Confident | 176 Ų | 176 | 58.1 Ų | 58.1 | 94% | 0.941 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -62.9 | -33.8 | -174.8 | -63.1 | -47.1 | 0 | 0 | 0 | 114.4 | ||
| 1281 | D | 82.8 | Confident | 80.8 | Confident | 89 Ų | 89 | 63.5 Ų | 63.5 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | trans | -122.1 | 91.6 | 173 | -172.1 | -10.9 | 0 | 0 | 0 | 111.7 | V1279 K1283 A1284 S1285 | V1279-D1281 PolarHBondContact O-N 2.95Å; D1281-K1283 PolarHBondContact O-N 2.72Å; D1281-K1283 WeakPolarHBondContact OD1-CA 3.37Å; D1281-K1283 WeakPolarHBondContact OD1-CB 3.23Å; D1281-K1283 PolarHBondContact OD1-N 3.42Å; D1281-A1284 HydrophobicContact CB-CB 4Å; D1281-A1284 PolarHBondContact O-N 3.2Å; D1281-A1284 PolarHBondContact OD1-N 3.31Å; D1281-A1284 WeakPolarHBondContact OD2-CB 3.26Å; D1281-S1285 PolarHBondContact O-N 3.49Å; D1281-S1285 VanDerWaalsContact O-N 3.1Å | ||
| 1282 | I | 78.1 | Confident | 80.9 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 42% | 0.415 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.4 | -32.4 | 175.2 | -61.6 | 173 | 0 | 0 | 0 | 111.6 | V1286 | I1282-V1286 HydrophobicContact CG2-CG2 4.3Å; I1282-V1286 WeakPolarHBondContact O-CB 3.48Å; I1282-V1286 WeakPolarHBondContact O-CG2 3.47Å; I1282-V1286 PolarHBondContact O-N 2.81Å |
| 1283 | K | 80.4 | Confident | 81.2 | Confident | 176 Ų | 176 | 65.7 Ų | 65.7 | 77% | 0.765 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -72.2 | -43.7 | -179.7 | -68.4 | -178.3 | 177.8 | 177.4 | 0 | 111.4 | D1281 V1286 E1287 | D1281-K1283 PolarHBondContact O-N 2.72Å; D1281-K1283 WeakPolarHBondContact OD1-CA 3.37Å; D1281-K1283 WeakPolarHBondContact OD1-CB 3.23Å; D1281-K1283 PolarHBondContact OD1-N 3.42Å; K1283-V1286 PolarHBondContact O-N 3.01Å; K1283-E1287 PolarHBondContact O-N 2.85Å |
| 1284 | A | 81.8 | Confident | 81.7 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 46% | 0.463 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1281 E1287 C1288 | D1281-A1284 HydrophobicContact CB-CB 4Å; D1281-A1284 PolarHBondContact O-N 3.2Å; D1281-A1284 PolarHBondContact OD1-N 3.31Å; D1281-A1284 WeakPolarHBondContact OD2-CB 3.26Å; A1284-E1287 PolarHBondContact O-N 3.41Å; A1284-C1288 PolarHBondContact O-N 3.38Å; A1284-C1288 VanDerWaalsContact O-N 3.11Å |
| 1285 | S | 82.7 | Confident | 82.1 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 15% | 0.154 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 174.6 | -179.4 | 0 | 0 | 0 | 0 | 112 | D1281 E1287 C1288 W1289 | D1281-S1285 PolarHBondContact O-N 3.49Å; D1281-S1285 VanDerWaalsContact O-N 3.1Å; S1285-E1287 VanDerWaalsContact C-N 3.34Å; S1285-E1287 PolarHBondContact O-N 2.96Å; S1285-C1288 VanDerWaalsContact O-CB 3.31Å; S1285-C1288 WeakPolarHBondContact O-CB 3.26Å; S1285-C1288 PolarHBondContact O-N 2.81Å; S1285-C1288 VanDerWaalsContact O-N 3.1Å; S1285-W1289 VanDerWaalsContact O-CD1 3.28Å; S1285-W1289 PolarHBondContact O-N 3.36Å |
| 1286 | V | 85.2 | Confident | 82.5 | Confident | 8 Ų | 8 | 64.7 Ų | 64.7 | 5% | 0.048 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.7 | -44 | 176.5 | 164 | 0 | 0 | 0 | 0 | 111.8 | R1264 V1267 Q1268 I1282 K1283 C1288 W1289 V1290 | R1264-V1286 HydrophobicContact CG-CG1 4.31Å; V1267-V1286 HydrophobicContact CG1-CG1 3.81Å; Q1268-V1286 HydrophobicContact CG-CG2 3.74Å; I1282-V1286 HydrophobicContact CG2-CG2 4.3Å; I1282-V1286 WeakPolarHBondContact O-CB 3.48Å; I1282-V1286 WeakPolarHBondContact O-CG2 3.47Å; I1282-V1286 PolarHBondContact O-N 2.81Å; K1283-V1286 PolarHBondContact O-N 3.01Å; V1286-C1288 VanDerWaalsContact C-N 3.28Å; V1286-C1288 PolarHBondContact O-N 3.49Å; V1286-W1289 PolarHBondContact O-N 3.02Å; V1286-V1290 HydrophobicContact CG1-CG2 4.44Å; V1286-V1290 WeakPolarHBondContact O-CG2 3.32Å; V1286-V1290 PolarHBondContact O-N 2.72Å |
| 1287 | E | 86.3 | Confident | 82.8 | Confident | 54 Ų | 54 | 63.1 Ų | 63.1 | 25% | 0.252 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.4 | -27.3 | 178.7 | -166.1 | 63.9 | -169.9 | 0 | 0 | 113 | R1264 K1283 A1284 S1285 K1291 | R1264-E1287 IonicContact CZ-OE1 3.41Å; R1264-E1287 IonicContact CZ-OE2 2.7Å; R1264-E1287 IonicContact NE-OE1 2.65Å; R1264-E1287 IonicContact NE-OE2 2.8Å; R1264-E1287 PolarHBondContact NE-OE2 3.2Å; R1264-E1287 IonicContact NH2-OE1 3.08Å; R1264-E1287 PolarHBondContact NH2-OE1 3.22Å; R1264-E1287 IonicContact NH2-OE2 2.69Å; R1264-E1287 PolarHBondContact NH2-OE2 3.49Å; K1283-E1287 PolarHBondContact O-N 2.85Å; A1284-E1287 PolarHBondContact O-N 3.41Å; S1285-E1287 VanDerWaalsContact C-N 3.34Å; S1285-E1287 PolarHBondContact O-N 2.96Å; E1287-K1291 WeakPolarHBondContact O-CD 3.28Å; E1287-K1291 WeakPolarHBondContact O-CG 3.34Å; E1287-K1291 PolarHBondContact O-N 3.47Å |
| 1288 | C | 87 | Confident | 83.4 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 53% | 0.527 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.2 | -45.2 | 170.5 | -165 | 0 | 0 | 0 | 0 | 111.4 | A1284 S1285 V1286 K1291 S1292 | A1284-C1288 PolarHBondContact O-N 3.38Å; A1284-C1288 VanDerWaalsContact O-N 3.11Å; S1285-C1288 VanDerWaalsContact O-CB 3.31Å; S1285-C1288 WeakPolarHBondContact O-CB 3.26Å; S1285-C1288 PolarHBondContact O-N 2.81Å; S1285-C1288 VanDerWaalsContact O-N 3.1Å; V1286-C1288 VanDerWaalsContact C-N 3.28Å; V1286-C1288 PolarHBondContact O-N 3.49Å; C1288-K1291 PolarHBondContact O-N 2.8Å; C1288-S1292 PolarHBondContact O-N 3.01Å; C1288-S1292 PolarHBondContact O-OG 2.61Å; C1288-S1292 VanDerWaalsContact O-OG 3.09Å |
| 1289 | W | 90.3 | Very high | 84.3 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 177.2 | -79.1 | 107.1 | 0 | 0 | 0 | 113.1 | E1239 L1242 A1243 V1267 L1271 V1275 S1285 V1286 K1291 S1292 V1293 | E1239-W1289 HydrophobicContact CB-CH2 3.72Å; E1239-W1289 HydrophobicContact CB-CZ2 4.5Å; E1239-W1289 HydrophobicContact CB-CZ3 4.33Å; E1239-W1289 HydrophobicContact CG-CH2 3.88Å; E1239-W1289 HydrophobicContact CG-CZ2 4.25Å; L1242-W1289 HydrophobicContact CB-CH2 4.44Å; L1242-W1289 HydrophobicContact CB-CZ3 4.4Å; L1242-W1289 HydrophobicContact CD2-CH2 3.81Å; L1242-W1289 HydrophobicContact CD2-CZ2 4.47Å; L1242-W1289 HydrophobicContact CD2-CZ3 4.2Å; L1242-W1289 HydrophobicContact CG-CH2 4.34Å; L1242-W1289 HydrophobicContact CG-CZ3 4.28Å; A1243-W1289 HydrophobicContact CB-CZ3 4.3Å; V1267-W1289 HydrophobicContact CG2-CB 4.45Å; L1271-W1289 HydrophobicContact CD1-CB 3.96Å; L1271-W1289 HydrophobicContact CD1-CG 3.88Å; L1271-W1289 HydrophobicContact CD2-CB 4.12Å; L1271-W1289 HydrophobicContact CD2-CD2 3.4Å; L1271-W1289 VanDerWaalsContact CD2-CD2 3.4Å; L1271-W1289 HydrophobicContact CD2-CE3 3.72Å; L1271-W1289 HydrophobicContact CD2-CG 3.56Å; L1271-W1289 HydrophobicContact CD2-CZ2 4.45Å; L1271-W1289 HydrophobicContact CD2-CZ3 4.36Å; L1271-W1289 HydrophobicContact CG-CG 4.37Å; V1275-W1289 HydrophobicContact CG1-CZ2 3.74Å; S1285-W1289 VanDerWaalsContact O-CD1 3.28Å; S1285-W1289 PolarHBondContact O-N 3.36Å; V1286-W1289 PolarHBondContact O-N 3.02Å; W1289-K1291 VanDerWaalsContact C-N 3.33Å; W1289-K1291 PolarHBondContact O-N 3.33Å; W1289-S1292 PolarHBondContact O-N 2.91Å; W1289-V1293 WeakPolarHBondContact O-CB 3.31Å; W1289-V1293 VanDerWaalsContact O-CG2 3.29Å; W1289-V1293 WeakPolarHBondContact O-CG2 3.45Å; W1289-V1293 PolarHBondContact O-N 3.27Å |
| 1290 | V | 89 | Confident | 84.6 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -53.8 | -49.6 | 172.1 | 168.5 | 0 | 0 | 0 | 0 | 110.7 | A1260 L1263 R1264 V1267 V1286 V1293 I1294 | A1260-V1290 HydrophobicContact CB-CG1 4.49Å; L1263-V1290 HydrophobicContact CD2-CG1 4.18Å; L1263-V1290 HydrophobicContact CG-CG1 4.5Å; L1263-V1290 HydrophobicContact CG-CG2 4.38Å; R1264-V1290 HydrophobicContact CB-CG2 3.94Å; R1264-V1290 HydrophobicContact CG-CG2 4.3Å; V1267-V1290 HydrophobicContact CG1-CG2 4Å; V1286-V1290 HydrophobicContact CG1-CG2 4.44Å; V1286-V1290 WeakPolarHBondContact O-CG2 3.32Å; V1286-V1290 PolarHBondContact O-N 2.72Å; V1290-V1293 PolarHBondContact O-N 3.45Å; V1290-I1294 HydrophobicContact CG1-CD1 3.8Å; V1290-I1294 VanDerWaalsContact O-CG1 3.27Å; V1290-I1294 WeakPolarHBondContact O-CG1 3.43Å; V1290-I1294 PolarHBondContact O-N 3.33Å |
| 1291 | K | 87.7 | Confident | 84.7 | Confident | 129 Ų | 129 | 54.6 Ų | 54.6 | 56% | 0.561 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64 | -43 | 179.6 | -68.6 | 164.2 | -173.2 | 165.6 | 0 | 112.1 | E1287 C1288 W1289 I1294 H1295 | E1287-K1291 WeakPolarHBondContact O-CD 3.28Å; E1287-K1291 WeakPolarHBondContact O-CG 3.34Å; E1287-K1291 PolarHBondContact O-N 3.47Å; C1288-K1291 PolarHBondContact O-N 2.8Å; W1289-K1291 VanDerWaalsContact C-N 3.33Å; W1289-K1291 PolarHBondContact O-N 3.33Å; K1291-I1294 PolarHBondContact O-N 2.9Å; K1291-H1295 WeakPolarHBondContact O-CB 3.44Å; K1291-H1295 PolarHBondContact O-N 2.83Å |
| 1292 | S | 89.4 | Confident | 84.5 | Confident | 47 Ų | 47 | 56.5 Ų | 56.5 | 33% | 0.329 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 179 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | C1288 W1289 H1295 A1296 | C1288-S1292 PolarHBondContact O-N 3.01Å; C1288-S1292 PolarHBondContact O-OG 2.61Å; C1288-S1292 VanDerWaalsContact O-OG 3.09Å; W1289-S1292 PolarHBondContact O-N 2.91Å; S1292-H1295 PolarHBondContact O-N 2.74Å; S1292-A1296 WeakPolarHBondContact O-CB 3.34Å; S1292-A1296 PolarHBondContact O-N 3.06Å |
| 1293 | V | 89.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.5 | -38.7 | 176.9 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | A1243 I1246 A1247 L1263 W1289 V1290 A1296 G1297 | A1243-V1293 HydrophobicContact CB-CG2 4.15Å; I1246-V1293 HydrophobicContact CB-CG2 4.05Å; I1246-V1293 HydrophobicContact CG2-CG1 4Å; I1246-V1293 HydrophobicContact CG2-CG2 3.72Å; A1247-V1293 HydrophobicContact CB-CG1 4.21Å; L1263-V1293 HydrophobicContact CD1-CG1 3.97Å; L1263-V1293 HydrophobicContact CD2-CB 4.03Å; L1263-V1293 HydrophobicContact CD2-CG1 3.77Å; W1289-V1293 WeakPolarHBondContact O-CB 3.31Å; W1289-V1293 VanDerWaalsContact O-CG2 3.29Å; W1289-V1293 WeakPolarHBondContact O-CG2 3.45Å; W1289-V1293 PolarHBondContact O-N 3.27Å; V1290-V1293 PolarHBondContact O-N 3.45Å; V1293-A1296 PolarHBondContact O-N 2.92Å; V1293-G1297 PolarHBondContact O-N 3.18Å |
| 1294 | I | 87.4 | Confident | 83.9 | Confident | 44 Ų | 44 | 50.6 Ų | 50.6 | 23% | 0.226 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 172.9 | -68.6 | 164.7 | 0 | 0 | 0 | 110.7 | A1260 L1263 V1290 K1291 A1296 G1297 L1298 | A1260-I1294 HydrophobicContact CB-CD1 3.8Å; L1263-I1294 HydrophobicContact CD2-CD1 4.24Å; L1263-I1294 HydrophobicContact CD2-CG1 3.69Å; V1290-I1294 HydrophobicContact CG1-CD1 3.8Å; V1290-I1294 VanDerWaalsContact O-CG1 3.27Å; V1290-I1294 WeakPolarHBondContact O-CG1 3.43Å; V1290-I1294 PolarHBondContact O-N 3.33Å; K1291-I1294 PolarHBondContact O-N 2.9Å; I1294-A1296 VanDerWaalsContact C-N 3.31Å; I1294-A1296 PolarHBondContact O-N 3.02Å; I1294-G1297 WeakPolarHBondContact O-CA 3.28Å; I1294-G1297 PolarHBondContact O-N 3.35Å; I1294-G1297 VanDerWaalsContact O-N 3.13Å; I1294-L1298 PolarHBondContact O-N 3.21Å |
| 1295 | H | 87.5 | Confident | 83.3 | Confident | 107 Ų | 107 | 51.7 Ų | 51.7 | 50% | 0.495 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 176.9 | -179.3 | 81 | 0 | 0 | 0 | 112.2 | K1291 S1292 L1298 K1299 | K1291-H1295 WeakPolarHBondContact O-CB 3.44Å; K1291-H1295 PolarHBondContact O-N 2.83Å; S1292-H1295 PolarHBondContact O-N 2.74Å; H1295-L1298 PolarHBondContact O-N 3.27Å; H1295-K1299 VanDerWaalsContact NE2-CE 3.25Å; H1295-K1299 WeakPolarHBondContact NE2-CE 3.48Å; H1295-K1299 PolarHBondContact NE2-NZ 3Å; H1295-K1299 PolarHBondContact O-N 3.02Å |
| 1296 | A | 87.7 | Confident | 82.7 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1243 L1244 A1247 S1292 V1293 I1294 L1298 K1299 V1300 | A1243-A1296 HydrophobicContact CB-CB 4Å; L1244-A1296 HydrophobicContact CB-CB 4.43Å; A1247-A1296 HydrophobicContact CB-CB 4.15Å; S1292-A1296 WeakPolarHBondContact O-CB 3.34Å; S1292-A1296 PolarHBondContact O-N 3.06Å; V1293-A1296 PolarHBondContact O-N 2.92Å; I1294-A1296 VanDerWaalsContact C-N 3.31Å; I1294-A1296 PolarHBondContact O-N 3.02Å; A1296-L1298 VanDerWaalsContact C-N 3.34Å; A1296-L1298 PolarHBondContact O-N 2.87Å; A1296-K1299 CarbonylContact O-C 3.56Å; A1296-K1299 WeakPolarHBondContact O-CA 3.15Å; A1296-K1299 WeakPolarHBondContact O-CB 3.2Å; A1296-K1299 PolarHBondContact O-N 3.25Å; A1296-K1299 VanDerWaalsContact O-N 3.09Å; A1296-V1300 WeakPolarHBondContact O-CG2 3.45Å; A1296-V1300 PolarHBondContact O-N 2.69Å |
| 1297 | G | 82.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1293 I1294 K1299 V1300 L1301 | V1293-G1297 PolarHBondContact O-N 3.18Å; I1294-G1297 WeakPolarHBondContact O-CA 3.28Å; I1294-G1297 PolarHBondContact O-N 3.35Å; I1294-G1297 VanDerWaalsContact O-N 3.13Å; G1297-K1299 VanDerWaalsContact C-N 3.35Å; G1297-K1299 PolarHBondContact O-N 3.45Å; G1297-V1300 WeakPolarHBondContact O-CB 3.23Å; G1297-V1300 PolarHBondContact O-N 2.96Å; G1297-V1300 VanDerWaalsContact O-N 3.12Å; G1297-L1301 WeakPolarHBondContact O-CG 3.35Å; G1297-L1301 PolarHBondContact O-N 2.82Å |
| 1298 | L | 83.5 | Confident | 81 | Confident | 97 Ų | 97 | 59 Ų | 59 | 51% | 0.508 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 172 | -66.8 | 172.6 | 0 | 0 | 0 | 112.3 | I1294 H1295 A1296 L1301 L1302 | I1294-L1298 PolarHBondContact O-N 3.21Å; H1295-L1298 PolarHBondContact O-N 3.27Å; A1296-L1298 VanDerWaalsContact C-N 3.34Å; A1296-L1298 PolarHBondContact O-N 2.87Å; L1298-L1301 HydrophobicContact CD2-CD1 4.48Å; L1298-L1301 PolarHBondContact O-N 3.18Å; L1298-L1302 WeakPolarHBondContact O-CB 3.35Å; L1298-L1302 WeakPolarHBondContact O-CG 3.49Å; L1298-L1302 PolarHBondContact O-N 3.12Å |
| 1299 | K | 82.6 | Confident | 79.7 | Confident | 86 Ų | 86 | 62.3 Ų | 62.3 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 171.6 | -69.6 | 169.2 | 171.7 | 163.8 | 0 | 111.7 | E1240 H1295 A1296 G1297 K1303 | E1240-K1299 IonicContact OE2-NZ 3.43Å; E1240-K1299 PolarHBondContact OE2-NZ 3.38Å; H1295-K1299 VanDerWaalsContact NE2-CE 3.25Å; H1295-K1299 WeakPolarHBondContact NE2-CE 3.48Å; H1295-K1299 PolarHBondContact NE2-NZ 3Å; H1295-K1299 PolarHBondContact O-N 3.02Å; A1296-K1299 CarbonylContact O-C 3.56Å; A1296-K1299 WeakPolarHBondContact O-CA 3.15Å; A1296-K1299 WeakPolarHBondContact O-CB 3.2Å; A1296-K1299 PolarHBondContact O-N 3.25Å; A1296-K1299 VanDerWaalsContact O-N 3.09Å; G1297-K1299 VanDerWaalsContact C-N 3.35Å; G1297-K1299 PolarHBondContact O-N 3.45Å; K1299-K1303 PolarHBondContact O-N 3.16Å |
| 1300 | V | 79.4 | Confident | 78.4 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.8 | -49.5 | 174.1 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | L1244 A1247 Y1248 A1296 G1297 L1302 K1303 L1304 | L1244-V1300 HydrophobicContact CD1-CG2 3.59Å; A1247-V1300 HydrophobicContact CB-CG2 4.3Å; Y1248-V1300 HydrophobicContact CD1-CB 4.48Å; Y1248-V1300 HydrophobicContact CD1-CG1 3.75Å; Y1248-V1300 HydrophobicContact CD1-CG2 3.82Å; Y1248-V1300 HydrophobicContact CD2-CG2 4.44Å; Y1248-V1300 HydrophobicContact CE1-CB 4.2Å; Y1248-V1300 HydrophobicContact CE1-CG1 3.6Å; Y1248-V1300 HydrophobicContact CE1-CG2 3.62Å; Y1248-V1300 HydrophobicContact CE2-CG2 4.24Å; Y1248-V1300 HydrophobicContact CG-CG2 4.25Å; A1296-V1300 WeakPolarHBondContact O-CG2 3.45Å; A1296-V1300 PolarHBondContact O-N 2.69Å; G1297-V1300 WeakPolarHBondContact O-CB 3.23Å; G1297-V1300 PolarHBondContact O-N 2.96Å; G1297-V1300 VanDerWaalsContact O-N 3.12Å; V1300-L1302 PolarHBondContact O-N 2.89Å; V1300-K1303 WeakPolarHBondContact O-CB 3.41Å; V1300-K1303 PolarHBondContact O-N 3.42Å; V1300-K1303 VanDerWaalsContact O-N 3.07Å; V1300-L1304 HydrophobicContact CG1-CD1 3.78Å; V1300-L1304 HydrophobicContact CG1-CG 4.25Å; V1300-L1304 WeakPolarHBondContact O-CG 3.34Å; V1300-L1304 PolarHBondContact O-N 3.36Å |
| 1301 | L | 77.6 | Confident | 77.2 | Confident | 47 Ų | 47 | 68.7 Ų | 68.7 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | -180 | -68.3 | 171.2 | 0 | 0 | 0 | 111.9 | F1251 F1258 G1297 L1298 K1303 L1304 T1305 | F1251-L1301 HydrophobicContact CE2-CD2 4.33Å; F1258-L1301 HydrophobicContact CD2-CD1 4.13Å; F1258-L1301 HydrophobicContact CE2-CD1 4.33Å; F1258-L1301 HydrophobicContact CE2-CG 4.31Å; G1297-L1301 WeakPolarHBondContact O-CG 3.35Å; G1297-L1301 PolarHBondContact O-N 2.82Å; L1298-L1301 HydrophobicContact CD2-CD1 4.48Å; L1298-L1301 PolarHBondContact O-N 3.18Å; L1301-K1303 PolarHBondContact O-N 2.88Å; L1301-L1304 PolarHBondContact O-N 3.43Å; L1301-T1305 WeakPolarHBondContact O-CG2 3.37Å; L1301-T1305 PolarHBondContact O-N 3.3Å; L1301-T1305 PolarHBondContact O-OG1 3.46Å |
| 1302 | L | 78.6 | Confident | 76 | Confident | 128 Ų | 128 | 67.2 Ų | 67.2 | 67% | 0.67 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.9 | -32.9 | 173.9 | -76.7 | 166.7 | 0 | 0 | 0 | 113 | L1298 V1300 T1305 | L1298-L1302 WeakPolarHBondContact O-CB 3.35Å; L1298-L1302 WeakPolarHBondContact O-CG 3.49Å; L1298-L1302 PolarHBondContact O-N 3.12Å; V1300-L1302 PolarHBondContact O-N 2.89Å; L1302-T1305 PolarHBondContact O-OG1 3.12Å |
| 1303 | K | 73.3 | Confident | 74.8 | Confident | 122 Ų | 122 | 69.3 Ų | 69.3 | 53% | 0.53 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -75.3 | -40.6 | 175.3 | -164.6 | 175.9 | -178.3 | -175.6 | 0 | 111.5 | K1299 V1300 L1301 S1306 | K1299-K1303 PolarHBondContact O-N 3.16Å; V1300-K1303 WeakPolarHBondContact O-CB 3.41Å; V1300-K1303 PolarHBondContact O-N 3.42Å; V1300-K1303 VanDerWaalsContact O-N 3.07Å; L1301-K1303 PolarHBondContact O-N 2.88Å; K1303-S1306 PolarHBondContact O-N 2.79Å; K1303-S1306 PolarHBondContact O-OG 2.8Å |
| 1304 | L | 72.4 | Confident | 74.1 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 6% | 0.058 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 178.9 | -70.4 | 173.9 | 0 | 0 | 0 | 112.8 | F1251 V1300 L1301 S1306 L1307 V1318 | F1251-L1304 HydrophobicContact CD2-CD1 4.05Å; F1251-L1304 HydrophobicContact CE1-CD1 4.42Å; F1251-L1304 HydrophobicContact CE2-CD1 3.39Å; F1251-L1304 HydrophobicContact CZ-CD1 3.62Å; V1300-L1304 HydrophobicContact CG1-CD1 3.78Å; V1300-L1304 HydrophobicContact CG1-CG 4.25Å; V1300-L1304 WeakPolarHBondContact O-CG 3.34Å; V1300-L1304 PolarHBondContact O-N 3.36Å; L1301-L1304 PolarHBondContact O-N 3.43Å; L1304-S1306 PolarHBondContact O-N 2.96Å; L1304-L1307 HydrophobicContact CD2-CD1 3.97Å; L1304-L1307 VanDerWaalsContact O-CB 3.32Å; L1304-L1307 WeakPolarHBondContact O-CB 3.48Å; L1304-L1307 PolarHBondContact O-N 3.15Å; L1304-V1318 HydrophobicContact CD1-CG2 4.31Å; L1304-V1318 HydrophobicContact CD2-CG2 4.25Å |
| 1305 | T | 70.5 | Confident | 73.8 | Confident | 79 Ų | 79 | 72.8 Ų | 72.8 | 49% | 0.485 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64 | -24 | 178.3 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | L1301 L1302 L1307 R1312 | L1301-T1305 WeakPolarHBondContact O-CG2 3.37Å; L1301-T1305 PolarHBondContact O-N 3.3Å; L1301-T1305 PolarHBondContact O-OG1 3.46Å; L1302-T1305 PolarHBondContact O-OG1 3.12Å; T1305-L1307 PolarHBondContact O-N 2.79Å; T1305-R1312 PolarHBondContact O-NE 3.48Å; T1305-R1312 PolarHBondContact O-NH2 2.94Å |
| 1306 | S | 70.1 | Confident | 73.7 | Confident | 95 Ų | 95 | 71.6 Ų | 71.6 | 66% | 0.664 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -14.3 | 173 | 78.5 | 0 | 0 | 0 | 0 | 114.2 | K1303 L1304 | K1303-S1306 PolarHBondContact O-N 2.79Å; K1303-S1306 PolarHBondContact O-OG 2.8Å; L1304-S1306 PolarHBondContact O-N 2.96Å |
| 1307 | L | 67 | Low | 73.5 | Confident | 45 Ų | 45 | 72.7 Ų | 72.7 | 24% | 0.236 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -87.3 | 157.9 | 179.1 | -58.1 | 172.3 | 0 | 0 | 0 | 112.1 | L1304 T1305 K1311 R1312 H1317 | L1304-L1307 HydrophobicContact CD2-CD1 3.97Å; L1304-L1307 VanDerWaalsContact O-CB 3.32Å; L1304-L1307 WeakPolarHBondContact O-CB 3.48Å; L1304-L1307 PolarHBondContact O-N 3.15Å; T1305-L1307 PolarHBondContact O-N 2.79Å; L1307-K1311 HydrophobicContact CB-CB 4.16Å; L1307-K1311 HydrophobicContact CD1-CB 4.28Å; L1307-R1312 PolarHBondContact O-NE 3.29Å; L1307-R1312 PolarHBondContact O-NH2 3.37Å; L1307-H1317 VanDerWaalsContact CD1-CD2 3.48Å; L1307-H1317 WeakPolarHBondContact CD1-CD2 3.31Å; L1307-H1317 WeakPolarHBondContact CD1-NE2 3.49Å |
| 1308 | P | 68.1 | Low | 73.7 | Confident | 97 Ų | 97 | 72.8 Ų | 72.8 | 63% | 0.63 | 40% | 0.397 | S | S | * | . | trans | -57.4 | 148.9 | 169.7 | -22.7 | 33.8 | 0 | 0 | 0 | 112.1 | G1310 K1311 | P1308-G1310 PolarHBondContact O-N 2.82Å; P1308-G1310 VanDerWaalsContact O-N 3.17Å; P1308-K1311 PolarHBondContact O-N 2.84Å | ||
| 1309 | E | 60.4 | Low | 74.1 | Confident | 148 Ų | 148 | 68.8 Ų | 68.8 | 69% | 0.692 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -52.9 | -44.7 | -167.8 | -73.5 | -175 | 142 | 0 | 0 | 114.8 | K1311 R1312 | E1309-K1311 PolarHBondContact O-N 2.92Å; E1309-R1312 VanDerWaalsContact CG-NH1 3.31Å; E1309-R1312 WeakPolarHBondContact O-CB 3.27Å; E1309-R1312 PolarHBondContact O-N 3.12Å; E1309-R1312 IonicContact OE1-NH1 4Å; E1309-R1312 PolarHBondContact OE1-NH1 3.08Å |
| 1310 | G | 63.1 | Low | 74.5 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 70% | 0.701 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.2 | -5.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | P1308 | P1308-G1310 PolarHBondContact O-N 2.82Å; P1308-G1310 VanDerWaalsContact O-N 3.17Å |
| 1311 | K | 63.1 | Low | 74.9 | Confident | 87 Ų | 87 | 67.6 Ų | 67.6 | 38% | 0.378 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -108.1 | -12.6 | 170.8 | -70 | -157.7 | 171.3 | -150.3 | 0 | 114.3 | L1307 P1308 E1309 T1313 | L1307-K1311 HydrophobicContact CB-CB 4.16Å; L1307-K1311 HydrophobicContact CD1-CB 4.28Å; P1308-K1311 PolarHBondContact O-N 2.84Å; E1309-K1311 PolarHBondContact O-N 2.92Å; K1311-T1313 PolarHBondContact O-N 2.91Å |
| 1312 | R | 62.1 | Low | 75.6 | Confident | 97 Ų | 97 | 65.5 Ų | 65.5 | 37% | 0.366 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.7 | -34.9 | -173.8 | -66.3 | -176.5 | 175.2 | 166.2 | -9.9 | 113.7 | T1305 L1307 E1309 | T1305-R1312 PolarHBondContact O-NE 3.48Å; T1305-R1312 PolarHBondContact O-NH2 2.94Å; L1307-R1312 PolarHBondContact O-NE 3.29Å; L1307-R1312 PolarHBondContact O-NH2 3.37Å; E1309-R1312 VanDerWaalsContact CG-NH1 3.31Å; E1309-R1312 WeakPolarHBondContact O-CB 3.27Å; E1309-R1312 PolarHBondContact O-N 3.12Å; E1309-R1312 IonicContact OE1-NH1 4Å; E1309-R1312 PolarHBondContact OE1-NH1 3.08Å |
| 1313 | T | 63.9 | Low | 76.2 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 56% | 0.558 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 5 | -176.6 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | Y1256 K1311 V1315 | Y1256-T1313 HydrophobicContact CD1-CG2 4.49Å; Y1256-T1313 HydrophobicContact CE1-CG2 4.49Å; K1311-T1313 PolarHBondContact O-N 2.91Å; T1313-V1315 PolarHBondContact O-N 3.41Å |
| 1314 | N | 74.9 | Confident | 77 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 32% | 0.321 | 32% | 0.319 | S | S | . | . | trans | -84.8 | 106.4 | -171 | -171.5 | -12.6 | 0 | 0 | 0 | 111.6 | L1316 H1317 V1318 | N1314-L1316 PolarHBondContact O-N 2.83Å; N1314-L1316 WeakPolarHBondContact OD1-CB 3.31Å; N1314-L1316 PolarHBondContact OD1-N 3.37Å; N1314-H1317 HydrophobicContact CB-CB 4.2Å; N1314-H1317 WeakPolarHBondContact O-CB 3.37Å; N1314-H1317 PolarHBondContact O-N 2.8Å; N1314-V1318 PolarHBondContact O-N 3.43Å | ||
| 1315 | V | 82.5 | Confident | 77.8 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 35% | 0.352 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -52.3 | -40.6 | 176.8 | 177.7 | 0 | 0 | 0 | 0 | 112.3 | V1252 T1313 H1317 V1318 Q1319 | V1252-V1315 HydrophobicContact CB-CG1 4.23Å; V1252-V1315 HydrophobicContact CG1-CG1 3.82Å; V1252-V1315 HydrophobicContact CG2-CG1 4.08Å; T1313-V1315 PolarHBondContact O-N 3.41Å; V1315-H1317 VanDerWaalsContact C-N 3.27Å; V1315-H1317 PolarHBondContact O-N 2.85Å; V1315-V1318 PolarHBondContact O-N 2.69Å; V1315-V1318 VanDerWaalsContact O-N 3.09Å; V1315-Q1319 PolarHBondContact O-N 2.77Å |
| 1316 | L | 84.6 | Confident | 78.6 | Confident | 82 Ų | 82 | 53.7 Ų | 53.7 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.2 | -37.9 | 177.5 | -61.7 | 169.9 | 0 | 0 | 0 | 111.4 | N1314 V1318 Q1319 E1320 | N1314-L1316 PolarHBondContact O-N 2.83Å; N1314-L1316 WeakPolarHBondContact OD1-CB 3.31Å; N1314-L1316 PolarHBondContact OD1-N 3.37Å; L1316-V1318 VanDerWaalsContact C-N 3.29Å; L1316-V1318 PolarHBondContact O-N 3.21Å; L1316-Q1319 PolarHBondContact O-N 2.96Å; L1316-E1320 VanDerWaalsContact O-CG 3.3Å; L1316-E1320 WeakPolarHBondContact O-CG 3.4Å; L1316-E1320 PolarHBondContact O-N 3.03Å |
| 1317 | H | 84.5 | Confident | 79.4 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 13% | 0.13 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.3 | -25.6 | 179.4 | -167.5 | 47.1 | 0 | 0 | 0 | 112.7 | L1307 N1314 V1315 E1320 T1321 | L1307-H1317 VanDerWaalsContact CD1-CD2 3.48Å; L1307-H1317 WeakPolarHBondContact CD1-CD2 3.31Å; L1307-H1317 WeakPolarHBondContact CD1-NE2 3.49Å; N1314-H1317 HydrophobicContact CB-CB 4.2Å; N1314-H1317 WeakPolarHBondContact O-CB 3.37Å; N1314-H1317 PolarHBondContact O-N 2.8Å; V1315-H1317 VanDerWaalsContact C-N 3.27Å; V1315-H1317 PolarHBondContact O-N 2.85Å; H1317-E1320 IonicContact CE1-OE2 3.92Å; H1317-E1320 IonicContact CG-OE2 3.96Å; H1317-E1320 IonicContact ND1-OE2 3.04Å; H1317-E1320 PolarHBondContact ND1-OE2 2.96Å; H1317-T1321 WeakPolarHBondContact O-CB 3.32Å; H1317-T1321 PolarHBondContact O-N 3.25Å; H1317-T1321 VanDerWaalsContact O-N 3.08Å; H1317-T1321 PolarHBondContact O-OG1 3.27Å |
| 1318 | V | 86.5 | Confident | 80.3 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74.5 | -40.6 | 169.8 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | Y1248 F1251 V1252 L1304 N1314 V1315 L1316 T1321 V1322 | Y1248-V1318 HydrophobicContact CD1-CG1 3.69Å; Y1248-V1318 HydrophobicContact CG-CG1 4.21Å; F1251-V1318 HydrophobicContact CD1-CB 4.2Å; F1251-V1318 HydrophobicContact CD1-CG1 4.29Å; F1251-V1318 HydrophobicContact CD1-CG2 3.64Å; F1251-V1318 HydrophobicContact CE1-CB 4.5Å; F1251-V1318 HydrophobicContact CE1-CG2 3.63Å; F1251-V1318 HydrophobicContact CG-CG2 4.38Å; F1251-V1318 HydrophobicContact CZ-CG2 4.32Å; V1252-V1318 HydrophobicContact CG2-CB 4.24Å; V1252-V1318 HydrophobicContact CG2-CG1 3.75Å; L1304-V1318 HydrophobicContact CD1-CG2 4.31Å; L1304-V1318 HydrophobicContact CD2-CG2 4.25Å; N1314-V1318 PolarHBondContact O-N 3.43Å; V1315-V1318 PolarHBondContact O-N 2.69Å; V1315-V1318 VanDerWaalsContact O-N 3.09Å; L1316-V1318 VanDerWaalsContact C-N 3.29Å; L1316-V1318 PolarHBondContact O-N 3.21Å; V1318-T1321 WeakPolarHBondContact O-CB 3.41Å; V1318-T1321 PolarHBondContact O-N 3.1Å; V1318-T1321 VanDerWaalsContact O-N 3.16Å; V1318-V1322 WeakPolarHBondContact O-CG2 3.47Å; V1318-V1322 PolarHBondContact O-N 3.09Å |
| 1319 | Q | 90.4 | Very high | 81.1 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 7% | 0.065 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 171.3 | -64.3 | 179.9 | -46.4 | 0 | 0 | 111.5 | T1218 Y1222 V1252 V1315 L1316 T1321 V1322 V1323 | T1218-Q1319 HydrophobicContact CG2-CB 3.67Å; Y1222-Q1319 HydrophobicContact CD1-CG 4.05Å; Y1222-Q1319 HydrophobicContact CD2-CB 4.23Å; Y1222-Q1319 HydrophobicContact CD2-CG 3.91Å; Y1222-Q1319 HydrophobicContact CE1-CG 4.45Å; Y1222-Q1319 HydrophobicContact CE2-CG 4.32Å; Y1222-Q1319 HydrophobicContact CG-CB 4.18Å; Y1222-Q1319 HydrophobicContact CG-CG 3.77Å; V1252-Q1319 HydrophobicContact CG2-CG 4.14Å; V1315-Q1319 PolarHBondContact O-N 2.77Å; L1316-Q1319 PolarHBondContact O-N 2.96Å; Q1319-T1321 PolarHBondContact O-N 2.85Å; Q1319-V1322 PolarHBondContact O-N 3.19Å; Q1319-V1322 VanDerWaalsContact O-N 3.13Å; Q1319-V1323 WeakPolarHBondContact O-CG2 3.3Å; Q1319-V1323 PolarHBondContact O-N 2.84Å |
| 1320 | E | 91 | Very high | 82.4 | Confident | 36 Ų | 36 | 46.7 Ų | 46.7 | 17% | 0.168 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -52.4 | -41.2 | 171.9 | -73.7 | 168.8 | -163.3 | 0 | 0 | 111.7 | P1211 T1218 L1316 H1317 S1324 | P1211-E1320 HydrophobicContact CB-CB 3.97Å; P1211-E1320 HydrophobicContact CB-CG 3.99Å; T1218-E1320 HydrophobicContact CG2-CG 4.4Å; L1316-E1320 VanDerWaalsContact O-CG 3.3Å; L1316-E1320 WeakPolarHBondContact O-CG 3.4Å; L1316-E1320 PolarHBondContact O-N 3.03Å; H1317-E1320 IonicContact CE1-OE2 3.92Å; H1317-E1320 IonicContact CG-OE2 3.96Å; H1317-E1320 IonicContact ND1-OE2 3.04Å; H1317-E1320 PolarHBondContact ND1-OE2 2.96Å; E1320-S1324 VanDerWaalsContact O-CB 3.31Å; E1320-S1324 WeakPolarHBondContact O-CB 3.26Å; E1320-S1324 PolarHBondContact O-N 2.76Å; E1320-S1324 PolarHBondContact O-OG 3.42Å |
| 1321 | T | 89 | Confident | 83.3 | Confident | 26 Ų | 26 | 44.8 Ų | 44.8 | 16% | 0.16 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.6 | -43.1 | 178.6 | -63 | 0 | 0 | 0 | 0 | 111.7 | Y1248 H1317 V1318 Q1319 S1324 L1325 | Y1248-T1321 HydrophobicContact CE1-CG2 4.03Å; Y1248-T1321 HydrophobicContact CE2-CG2 4.34Å; H1317-T1321 WeakPolarHBondContact O-CB 3.32Å; H1317-T1321 PolarHBondContact O-N 3.25Å; H1317-T1321 VanDerWaalsContact O-N 3.08Å; H1317-T1321 PolarHBondContact O-OG1 3.27Å; V1318-T1321 WeakPolarHBondContact O-CB 3.41Å; V1318-T1321 PolarHBondContact O-N 3.1Å; V1318-T1321 VanDerWaalsContact O-N 3.16Å; Q1319-T1321 PolarHBondContact O-N 2.85Å; T1321-S1324 PolarHBondContact O-N 3.47Å; T1321-L1325 HydrophobicContact CG2-CD1 4.13Å; T1321-L1325 WeakPolarHBondContact O-CB 3.19Å; T1321-L1325 VanDerWaalsContact O-CG 3.3Å; T1321-L1325 WeakPolarHBondContact O-CG 3.27Å; T1321-L1325 PolarHBondContact O-N 3.28Å |
| 1322 | V | 91.1 | Very high | 84.1 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | Y1222 V1225 L1245 Y1248 V1318 Q1319 S1324 L1325 A1326 | Y1222-V1322 HydrophobicContact CD2-CB 4.01Å; Y1222-V1322 HydrophobicContact CD2-CG1 3.9Å; Y1222-V1322 HydrophobicContact CD2-CG2 4.37Å; Y1222-V1322 HydrophobicContact CE2-CB 4.44Å; Y1222-V1322 HydrophobicContact CE2-CG1 4.33Å; Y1222-V1322 HydrophobicContact CE2-CG2 4.32Å; V1225-V1322 HydrophobicContact CG1-CG1 4.02Å; L1245-V1322 HydrophobicContact CD2-CG1 4.3Å; Y1248-V1322 HydrophobicContact CD2-CG2 4.23Å; Y1248-V1322 HydrophobicContact CG-CG2 4.05Å; V1318-V1322 WeakPolarHBondContact O-CG2 3.47Å; V1318-V1322 PolarHBondContact O-N 3.09Å; Q1319-V1322 PolarHBondContact O-N 3.19Å; Q1319-V1322 VanDerWaalsContact O-N 3.13Å; V1322-S1324 VanDerWaalsContact C-N 3.35Å; V1322-S1324 PolarHBondContact O-N 3.05Å; V1322-L1325 PolarHBondContact O-N 3.19Å; V1322-A1326 WeakPolarHBondContact O-CB 3.27Å; V1322-A1326 PolarHBondContact O-N 3.35Å |
| 1323 | V | 92.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 174.9 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | F1205 P1211 T1218 I1221 Q1319 A1326 R1327 | F1205-V1323 HydrophobicContact CE1-CG1 4Å; F1205-V1323 HydrophobicContact CZ-CG1 4.09Å; P1211-V1323 HydrophobicContact CB-CB 4.3Å; P1211-V1323 HydrophobicContact CB-CG1 4.22Å; P1211-V1323 HydrophobicContact CG-CB 4.06Å; P1211-V1323 HydrophobicContact CG-CG1 3.73Å; T1218-V1323 HydrophobicContact CG2-CG2 4.1Å; I1221-V1323 HydrophobicContact CB-CG1 4.28Å; I1221-V1323 HydrophobicContact CB-CG2 3.9Å; I1221-V1323 HydrophobicContact CD1-CG1 4.37Å; I1221-V1323 HydrophobicContact CG2-CB 4.42Å; I1221-V1323 HydrophobicContact CG2-CG1 3.87Å; I1221-V1323 HydrophobicContact CG2-CG2 3.9Å; Q1319-V1323 WeakPolarHBondContact O-CG2 3.3Å; Q1319-V1323 PolarHBondContact O-N 2.84Å; V1323-A1326 PolarHBondContact O-N 2.86Å; V1323-R1327 PolarHBondContact O-N 3.09Å |
| 1324 | S | 89.7 | Confident | 86.2 | Confident | 41 Ų | 41 | 35.3 Ų | 35.3 | 29% | 0.287 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 175 | -61.9 | 0 | 0 | 0 | 0 | 112.4 | E1320 T1321 V1322 L1328 | E1320-S1324 VanDerWaalsContact O-CB 3.31Å; E1320-S1324 WeakPolarHBondContact O-CB 3.26Å; E1320-S1324 PolarHBondContact O-N 2.76Å; E1320-S1324 PolarHBondContact O-OG 3.42Å; T1321-S1324 PolarHBondContact O-N 3.47Å; V1322-S1324 VanDerWaalsContact C-N 3.35Å; V1322-S1324 PolarHBondContact O-N 3.05Å; S1324-L1328 WeakPolarHBondContact O-CG 3.41Å; S1324-L1328 PolarHBondContact O-N 3.5Å; S1324-L1328 VanDerWaalsContact O-N 3.11Å |
| 1325 | L | 88.5 | Confident | 86.8 | Confident | 51 Ų | 51 | 32.5 Ų | 32.5 | 27% | 0.267 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 175.3 | -74.7 | 168.6 | 0 | 0 | 0 | 111.6 | Y1248 T1321 V1322 L1328 K1329 | Y1248-L1325 HydrophobicContact CD2-CD1 4.16Å; Y1248-L1325 HydrophobicContact CE2-CD1 3.55Å; T1321-L1325 HydrophobicContact CG2-CD1 4.13Å; T1321-L1325 WeakPolarHBondContact O-CB 3.19Å; T1321-L1325 VanDerWaalsContact O-CG 3.3Å; T1321-L1325 WeakPolarHBondContact O-CG 3.27Å; T1321-L1325 PolarHBondContact O-N 3.28Å; V1322-L1325 PolarHBondContact O-N 3.19Å; L1325-L1328 PolarHBondContact O-N 3.03Å; L1325-K1329 WeakPolarHBondContact O-CB 3.24Å; L1325-K1329 PolarHBondContact O-N 2.87Å |
| 1326 | A | 87.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.5 | -43.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1225 V1322 V1323 L1328 K1329 W1330 F1334 | V1225-A1326 HydrophobicContact CB-CB 4.47Å; V1225-A1326 HydrophobicContact CG1-CB 4.19Å; V1225-A1326 HydrophobicContact CG2-CB 3.46Å; V1225-A1326 VanDerWaalsContact CG2-CB 3.46Å; V1322-A1326 WeakPolarHBondContact O-CB 3.27Å; V1322-A1326 PolarHBondContact O-N 3.35Å; V1323-A1326 PolarHBondContact O-N 2.86Å; A1326-L1328 PolarHBondContact O-N 3.3Å; A1326-K1329 PolarHBondContact O-N 3.28Å; A1326-W1330 HydrophobicContact CB-CE3 3.84Å; A1326-W1330 HydrophobicContact CB-CZ3 3.8Å; A1326-W1330 PolarHBondContact O-N 2.83Å; A1326-F1334 HydrophobicContact CB-CE2 4.04Å; A1326-F1334 HydrophobicContact CB-CZ 4.39Å |
| 1327 | R | 88.4 | Confident | 86.8 | Confident | 43 Ų | 43 | 31.1 Ų | 31.1 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.6 | -47.1 | 173.5 | -175.3 | 168.8 | 79.1 | 120.6 | -6.1 | 111.7 | F1205 P1207 H1209 V1323 W1375 | F1205-R1327 HydrophobicContact CB-CG 4.29Å; F1205-R1327 HydrophobicContact CD1-CG 4.43Å; F1205-R1327 HydrophobicContact CD2-CB 3.92Å; F1205-R1327 HydrophobicContact CD2-CG 3.64Å; F1205-R1327 HydrophobicContact CE1-CB 4.46Å; F1205-R1327 HydrophobicContact CE2-CB 3.66Å; F1205-R1327 HydrophobicContact CE2-CG 3.95Å; F1205-R1327 HydrophobicContact CG-CB 4.43Å; F1205-R1327 HydrophobicContact CG-CG 3.9Å; F1205-R1327 HydrophobicContact CZ-CB 3.94Å; F1205-R1327 HydrophobicContact CZ-CG 4.45Å; P1207-R1327 PolarHBondContact O-NH1 2.96Å; H1209-R1327 PolarHBondContact O-NH2 2.88Å; V1323-R1327 PolarHBondContact O-N 3.09Å; R1327-W1375 HydrophobicContact CG-CD2 3.93Å; R1327-W1375 HydrophobicContact CG-CG 3.98Å; R1327-W1375 HydrophobicContact CG-CZ2 4.23Å; R1327-W1375 PolarHBondContact O-NE1 2.92Å |
| 1328 | L | 85.7 | Confident | 86.7 | Confident | 109 Ų | 109 | 30.2 Ų | 30.2 | 57% | 0.571 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -69.6 | -36.9 | -179.9 | -72.4 | 168.4 | 0 | 0 | 0 | 113.6 | S1324 L1325 A1326 W1375 | S1324-L1328 WeakPolarHBondContact O-CG 3.41Å; S1324-L1328 PolarHBondContact O-N 3.5Å; S1324-L1328 VanDerWaalsContact O-N 3.11Å; L1325-L1328 PolarHBondContact O-N 3.03Å; A1326-L1328 PolarHBondContact O-N 3.3Å; L1328-W1375 HydrophobicContact CD2-CH2 3.82Å; L1328-W1375 HydrophobicContact CD2-CZ2 3.95Å |
| 1329 | K | 83.8 | Confident | 86 | Confident | 66 Ų | 66 | 32.7 Ų | 32.7 | 29% | 0.287 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -88.4 | -33.2 | -170 | -170.6 | 170.9 | -171.1 | 172 | 0 | 114.2 | C1236 D1241 L1325 A1326 P1331 | C1236-K1329 PolarHBondContact SG-NZ 3.31Å; D1241-K1329 IonicContact OD2-NZ 2.75Å; D1241-K1329 PolarHBondContact OD2-NZ 3.18Å; L1325-K1329 WeakPolarHBondContact O-CB 3.24Å; L1325-K1329 PolarHBondContact O-N 2.87Å; A1326-K1329 PolarHBondContact O-N 3.28Å; K1329-P1331 WeakPolarHBondContact O-CD 3.09Å |
| 1330 | W | 87.2 | Confident | 84.9 | Confident | 21 Ų | 21 | 32 Ų | 32 | 8% | 0.08 | 16% | 0.16 | C | C | . | . | trans | -124.5 | 51.6 | -175.8 | -54.5 | -65.2 | 0 | 0 | 0 | 113 | V1225 L1229 Y1234 R1235 L1245 A1326 L1332 L1333 F1334 | V1225-W1330 HydrophobicContact CG1-CH2 4.39Å; V1225-W1330 HydrophobicContact CG1-CZ3 3.85Å; L1229-W1330 HydrophobicContact CD2-CH2 4.03Å; L1229-W1330 HydrophobicContact CD2-CZ2 4.22Å; L1229-W1330 HydrophobicContact CG-CH2 4.41Å; Y1234-W1330 HydrophobicContact CD1-CB 4.5Å; Y1234-W1330 AromaticContact CD1-CD2 4Å; Y1234-W1330 HydrophobicContact CD1-CD2 4Å; Y1234-W1330 AromaticContact CD1-CE3 3.88Å; Y1234-W1330 HydrophobicContact CD1-CE3 3.88Å; Y1234-W1330 HydrophobicContact CD1-CG 4.28Å; Y1234-W1330 HydrophobicContact CD1-CZ3 4.43Å; Y1234-W1330 HydrophobicContact CG-CD2 4.39Å; Y1234-W1330 HydrophobicContact CG-CE3 4.18Å; Y1234-W1330 HydrophobicContact CG-CZ3 4.29Å; R1235-W1330 PolarHBondContact O-NE1 3.07Å; L1245-W1330 HydrophobicContact CD1-CH2 3.72Å; L1245-W1330 HydrophobicContact CD1-CZ2 4.3Å; A1326-W1330 HydrophobicContact CB-CE3 3.84Å; A1326-W1330 HydrophobicContact CB-CZ3 3.8Å; A1326-W1330 PolarHBondContact O-N 2.83Å; W1330-L1332 PolarHBondContact O-N 3.27Å; W1330-L1332 VanDerWaalsContact O-N 3.13Å; W1330-L1333 HydrophobicContact CB-CB 4.05Å; W1330-L1333 HydrophobicContact CB-CD1 4.06Å; W1330-L1333 HydrophobicContact CB-CG 4.33Å; W1330-L1333 HydrophobicContact CG-CD1 4.1Å; W1330-L1333 PolarHBondContact O-N 2.98Å; W1330-F1334 HydrophobicContact CB-CD2 4.38Å; W1330-F1334 WeakPolarHBondContact O-CD2 3.48Å; W1330-F1334 PolarHBondContact O-N 3.46Å; W1330-F1334 VanDerWaalsContact O-N 3.13Å | ||
| 1331 | P | 82.5 | Confident | 83.7 | Confident | 27 Ų | 27 | 32.1 Ų | 32.1 | 18% | 0.175 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -31.2 | -178.8 | 25.7 | -35.1 | 0 | 0 | 0 | 112.5 | K1329 F1334 S1335 N1374 | K1329-P1331 WeakPolarHBondContact O-CD 3.09Å; P1331-F1334 CarbonylContact O-C 3.56Å; P1331-S1335 PolarHBondContact O-OG 3.19Å; P1331-S1335 VanDerWaalsContact O-OG 3.09Å; P1331-N1374 VanDerWaalsContact O-CB 3.29Å; P1331-N1374 WeakPolarHBondContact O-CB 3.46Å; P1331-N1374 PolarHBondContact O-ND2 3.13Å; P1331-N1374 VanDerWaalsContact O-ND2 3.13Å |
| 1332 | L | 80.1 | Confident | 82.2 | Confident | 40 Ų | 40 | 36.2 Ų | 36.2 | 21% | 0.209 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -41.6 | 173.7 | -75.6 | 173.7 | 0 | 0 | 0 | 113.2 | F983 W1330 F1334 S1335 F1337 A1372 Y1379 V1381 V1387 | F983-L1332 HydrophobicContact CE1-CB 4.12Å; F983-L1332 HydrophobicContact CZ-CB 3.89Å; F983-L1332 HydrophobicContact CZ-CD1 4.49Å; W1330-L1332 PolarHBondContact O-N 3.27Å; W1330-L1332 VanDerWaalsContact O-N 3.13Å; L1332-F1334 VanDerWaalsContact C-N 3.25Å; L1332-F1334 PolarHBondContact O-N 3.48Å; L1332-S1335 WeakPolarHBondContact CA-OG 3.3Å; L1332-S1335 VanDerWaalsContact O-CB 3.27Å; L1332-S1335 WeakPolarHBondContact O-CB 3.34Å; L1332-S1335 PolarHBondContact O-N 2.96Å; L1332-S1335 PolarHBondContact O-OG 3.41Å; L1332-F1337 WeakPolarHBondContact O-CZ 3.3Å; L1332-A1372 HydrophobicContact CD2-CB 4.21Å; L1332-Y1379 HydrophobicContact CD2-CD1 4.16Å; L1332-Y1379 HydrophobicContact CD2-CD2 4.34Å; L1332-Y1379 HydrophobicContact CD2-CG 3.9Å; L1332-V1381 HydrophobicContact CD2-CG2 4.41Å; L1332-V1387 HydrophobicContact CD1-CG2 4.23Å |
| 1333 | L | 82.4 | Confident | 80.5 | Confident | 37 Ų | 37 | 38.8 Ų | 38.8 | 19% | 0.194 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -22.1 | 177.6 | -64.5 | 172.6 | 0 | 0 | 0 | 112.7 | F983 E1233 Y1234 W1330 | F983-L1333 HydrophobicContact CD1-CD2 3.98Å; F983-L1333 HydrophobicContact CE1-CD2 3.54Å; F983-L1333 HydrophobicContact CE1-CG 4.26Å; F983-L1333 HydrophobicContact CZ-CD2 3.93Å; F983-L1333 HydrophobicContact CZ-CG 4.37Å; E1233-L1333 WeakPolarHBondContact O-CD1 3.41Å; Y1234-L1333 HydrophobicContact CD1-CB 4.33Å; Y1234-L1333 HydrophobicContact CD1-CD1 3.61Å; Y1234-L1333 HydrophobicContact CE1-CB 4.04Å; Y1234-L1333 HydrophobicContact CE1-CD1 4.08Å; W1330-L1333 HydrophobicContact CB-CB 4.05Å; W1330-L1333 HydrophobicContact CB-CD1 4.06Å; W1330-L1333 HydrophobicContact CB-CG 4.33Å; W1330-L1333 HydrophobicContact CG-CD1 4.1Å; W1330-L1333 PolarHBondContact O-N 2.98Å |
| 1334 | F | 88.7 | Confident | 78.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 45.5 | 169 | -65.3 | -80.1 | 0 | 0 | 0 | 112.2 | E1203 F1205 V1225 Y1234 A1326 W1330 P1331 L1332 | E1203-F1334 CarbonylContact O-C 3.51Å; E1203-F1334 VanDerWaalsContact O-CA 3.29Å; E1203-F1334 WeakPolarHBondContact O-CA 3.5Å; F1205-F1334 HydrophobicContact CD2-CB 3.7Å; F1205-F1334 HydrophobicContact CD2-CD1 4.04Å; F1205-F1334 HydrophobicContact CD2-CD2 4.39Å; F1205-F1334 AromaticContact CD2-CG 3.8Å; F1205-F1334 HydrophobicContact CD2-CG 3.8Å; F1205-F1334 HydrophobicContact CE2-CB 3.91Å; F1205-F1334 AromaticContact CE2-CD1 3.53Å; F1205-F1334 HydrophobicContact CE2-CD1 3.53Å; F1205-F1334 AromaticContact CE2-CD2 3.76Å; F1205-F1334 HydrophobicContact CE2-CD2 3.76Å; F1205-F1334 AromaticContact CE2-CE1 3.9Å; F1205-F1334 HydrophobicContact CE2-CE1 3.9Å; F1205-F1334 HydrophobicContact CE2-CE2 4.12Å; F1205-F1334 AromaticContact CE2-CG 3.45Å; F1205-F1334 HydrophobicContact CE2-CG 3.45Å; F1205-F1334 VanDerWaalsContact CE2-CG 3.45Å; F1205-F1334 HydrophobicContact CE2-CZ 4.19Å; F1205-F1334 HydrophobicContact CZ-CD1 4.29Å; F1205-F1334 HydrophobicContact CZ-CE1 4.29Å; V1225-F1334 HydrophobicContact CG2-CZ 4.03Å; Y1234-F1334 HydrophobicContact CD1-CE2 4.43Å; Y1234-F1334 AromaticContact CE1-CE2 3.9Å; Y1234-F1334 HydrophobicContact CE1-CE2 3.9Å; Y1234-F1334 AromaticContact CE1-CZ 3.93Å; Y1234-F1334 HydrophobicContact CE1-CZ 3.93Å; A1326-F1334 HydrophobicContact CB-CE2 4.04Å; A1326-F1334 HydrophobicContact CB-CZ 4.39Å; W1330-F1334 HydrophobicContact CB-CD2 4.38Å; W1330-F1334 WeakPolarHBondContact O-CD2 3.48Å; W1330-F1334 PolarHBondContact O-N 3.46Å; W1330-F1334 VanDerWaalsContact O-N 3.13Å; P1331-F1334 CarbonylContact O-C 3.56Å; L1332-F1334 VanDerWaalsContact C-N 3.25Å; L1332-F1334 PolarHBondContact O-N 3.48Å |
| 1335 | S | 86.1 | Confident | 76.9 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -106.7 | 146.5 | 170.6 | -50 | 0 | 0 | 0 | 0 | 111.3 | E1203 P1331 L1332 F1337 V1373 N1374 | E1203-S1335 CarbonylContact O-C 3.55Å; E1203-S1335 PolarHBondContact O-N 2.87Å; P1331-S1335 PolarHBondContact O-OG 3.19Å; P1331-S1335 VanDerWaalsContact O-OG 3.09Å; L1332-S1335 WeakPolarHBondContact CA-OG 3.3Å; L1332-S1335 VanDerWaalsContact O-CB 3.27Å; L1332-S1335 WeakPolarHBondContact O-CB 3.34Å; L1332-S1335 PolarHBondContact O-N 2.96Å; L1332-S1335 PolarHBondContact O-OG 3.41Å; S1335-F1337 WeakPolarHBondContact O-CD2 3.38Å; S1335-F1337 WeakPolarHBondContact O-CE2 3.46Å; S1335-F1337 PolarHBondContact O-N 2.98Å; S1335-V1373 CarbonylContact C-O 3.56Å; S1335-V1373 VanDerWaalsContact CA-O 3.24Å; S1335-V1373 WeakPolarHBondContact CA-O 3.47Å; S1335-V1373 WeakPolarHBondContact CB-O 3.47Å; S1335-N1374 PolarHBondContact OG-ND2 3.07Å |
| 1336 | K | 84.9 | Confident | 74.6 | Confident | 35 Ų | 35 | 46 Ų | 46 | 15% | 0.152 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 117.3 | 154 | -172.5 | 169.1 | 174.5 | -177.4 | 0 | 108.1 | I1204 F1338 V1373 E1433 L1437 | I1204-K1336 HydrophobicContact CD1-CB 4.18Å; K1336-F1338 HydrophobicContact CB-CE2 3.99Å; K1336-F1338 HydrophobicContact CB-CZ 4.29Å; K1336-F1338 HydrophobicContact CD-CE1 3.98Å; K1336-F1338 HydrophobicContact CD-CE2 4.11Å; K1336-F1338 HydrophobicContact CD-CZ 3.53Å; K1336-F1338 HydrophobicContact CG-CD2 4.4Å; K1336-F1338 HydrophobicContact CG-CE1 4.24Å; K1336-F1338 HydrophobicContact CG-CE2 3.76Å; K1336-F1338 HydrophobicContact CG-CZ 3.7Å; K1336-F1338 WeakPolarHBondContact O-CD2 3.49Å; K1336-F1338 WeakPolarHBondContact O-CE2 3.39Å; K1336-V1373 PolarHBondContact N-O 3.37Å; K1336-V1373 PolarHBondContact O-N 3.16Å; K1336-E1433 IonicContact NZ-OE2 3.95Å; K1336-E1433 PolarHBondContact NZ-OE2 3.43Å; K1336-L1437 HydrophobicContact CB-CD2 4.26Å |
| 1337 | F | 83 | Confident | 72.3 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 33% | 0.329 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 135.8 | 179.2 | -63.1 | -85.4 | 0 | 0 | 0 | 110.5 | F983 L1332 S1335 V1370 A1372 | F983-F1337 HydrophobicContact CD1-CE1 4.36Å; F983-F1337 AromaticContact CD1-CZ 3.99Å; F983-F1337 HydrophobicContact CD1-CZ 3.99Å; F983-F1337 HydrophobicContact CE1-CE1 4.35Å; F983-F1337 AromaticContact CE1-CZ 3.91Å; F983-F1337 HydrophobicContact CE1-CZ 3.91Å; L1332-F1337 WeakPolarHBondContact O-CZ 3.3Å; S1335-F1337 WeakPolarHBondContact O-CD2 3.38Å; S1335-F1337 WeakPolarHBondContact O-CE2 3.46Å; S1335-F1337 PolarHBondContact O-N 2.98Å; F1337-V1370 HydrophobicContact CB-CG1 3.79Å; F1337-V1370 HydrophobicContact CD1-CG1 3.67Å; F1337-V1370 HydrophobicContact CG-CG1 4.2Å; F1337-A1372 HydrophobicContact CD1-CB 3.75Å; F1337-A1372 HydrophobicContact CE1-CB 3.84Å |
| 1338 | F | 81.5 | Confident | 69.3 | Low | 9 Ų | 9 | 56.6 Ų | 56.6 | 4% | 0.039 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.1 | 176.5 | -57.5 | -93.7 | 0 | 0 | 0 | 110.3 | K1336 A1340 A1371 V1373 A1430 E1433 I1434 L1437 | K1336-F1338 HydrophobicContact CB-CE2 3.99Å; K1336-F1338 HydrophobicContact CB-CZ 4.29Å; K1336-F1338 HydrophobicContact CD-CE1 3.98Å; K1336-F1338 HydrophobicContact CD-CE2 4.11Å; K1336-F1338 HydrophobicContact CD-CZ 3.53Å; K1336-F1338 HydrophobicContact CG-CD2 4.4Å; K1336-F1338 HydrophobicContact CG-CE1 4.24Å; K1336-F1338 HydrophobicContact CG-CE2 3.76Å; K1336-F1338 HydrophobicContact CG-CZ 3.7Å; K1336-F1338 WeakPolarHBondContact O-CD2 3.49Å; K1336-F1338 WeakPolarHBondContact O-CE2 3.39Å; F1338-A1340 PolarHBondContact O-N 3.27Å; F1338-A1371 HydrophobicContact CB-CB 4.43Å; F1338-A1371 PolarHBondContact N-O 3.42Å; F1338-A1371 PolarHBondContact O-N 2.96Å; F1338-V1373 HydrophobicContact CD2-CG2 4.21Å; F1338-V1373 HydrophobicContact CE2-CB 4.25Å; F1338-V1373 HydrophobicContact CE2-CG2 3.93Å; F1338-A1430 HydrophobicContact CD1-CB 3.72Å; F1338-A1430 HydrophobicContact CE1-CB 4.34Å; F1338-E1433 HydrophobicContact CE1-CB 3.7Å; F1338-E1433 HydrophobicContact CZ-CB 4.29Å; F1338-I1434 HydrophobicContact CB-CD1 3.58Å; F1338-I1434 HydrophobicContact CB-CG1 3.82Å; F1338-I1434 HydrophobicContact CD1-CD1 4.2Å; F1338-I1434 HydrophobicContact CD1-CG1 3.6Å; F1338-I1434 HydrophobicContact CD2-CD1 4.28Å; F1338-I1434 HydrophobicContact CD2-CG1 3.61Å; F1338-I1434 HydrophobicContact CE1-CG1 3.9Å; F1338-I1434 HydrophobicContact CE2-CG1 3.92Å; F1338-I1434 HydrophobicContact CG-CD1 3.8Å; F1338-I1434 HydrophobicContact CG-CG1 3.41Å; F1338-I1434 VanDerWaalsContact CG-CG1 3.41Å; F1338-I1434 HydrophobicContact CZ-CG1 4.03Å; F1338-L1437 HydrophobicContact CE2-CD2 3.92Å; F1338-L1437 HydrophobicContact CZ-CD2 3.93Å |
| 1339 | E | 71.4 | Confident | 66.8 | Low | 54 Ų | 54 | 56.7 Ų | 56.7 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 125.5 | 171.8 | -173.9 | -174.6 | -148.6 | 0 | 0 | 110 | Y1341 Q1368 S1428 P1429 | E1339-Y1341 VanDerWaalsContact CD-CE2 3.5Å; E1339-Y1341 VanDerWaalsContact CD-OH 3.3Å; E1339-Y1341 HydrophobicContact CG-CD2 4.4Å; E1339-Y1341 HydrophobicContact CG-CE2 3.6Å; E1339-Y1341 PolarHBondContact OE1-OH 3.34Å; E1339-Q1368 PolarHBondContact OE1-NE2 3.4Å; E1339-S1428 WeakPolarHBondContact O-CB 3.43Å; E1339-S1428 PolarHBondContact O-OG 3.36Å; E1339-P1429 HydrophobicContact CB-CG 4.49Å; E1339-P1429 WeakPolarHBondContact OE2-CG 3.49Å |
| 1340 | A | 68.8 | Low | 63.9 | Low | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 159.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1338 V1369 A1371 F1426 H1427 | F1338-A1340 PolarHBondContact O-N 3.27Å; A1340-V1369 CarbonylContact C-O 3.38Å; A1340-V1369 VanDerWaalsContact C-O 3.26Å; A1340-V1369 VanDerWaalsContact CA-O 3.25Å; A1340-V1369 WeakPolarHBondContact CA-O 3.26Å; A1340-V1369 HydrophobicContact CB-CG2 3.97Å; A1340-V1369 WeakPolarHBondContact CB-O 3.5Å; A1340-V1369 PolarHBondContact N-O 3.46Å; A1340-V1369 PolarHBondContact O-N 3.47Å; A1340-A1371 HydrophobicContact CB-CB 4Å; A1340-F1426 HydrophobicContact CB-CD2 4.03Å; A1340-H1427 CarbonylContact C-O 3.54Å; A1340-H1427 VanDerWaalsContact CA-O 3.26Å; A1340-H1427 WeakPolarHBondContact CA-O 3.27Å |
| 1341 | Y | 64.3 | Low | 61 | Low | 37 Ų | 37 | 70 Ų | 70 | 15% | 0.145 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 128.5 | -172.9 | -65.1 | -94.4 | 0 | 0 | 0 | 108.9 | E1339 L1366 Q1368 M1411 H1427 | E1339-Y1341 VanDerWaalsContact CD-CE2 3.5Å; E1339-Y1341 VanDerWaalsContact CD-OH 3.3Å; E1339-Y1341 HydrophobicContact CG-CD2 4.4Å; E1339-Y1341 HydrophobicContact CG-CE2 3.6Å; E1339-Y1341 PolarHBondContact OE1-OH 3.34Å; Y1341-L1366 HydrophobicContact CD1-CD2 4.27Å; Y1341-Q1368 HydrophobicContact CE1-CG 4.1Å; Y1341-M1411 HydrophobicContact CD2-CE 4.13Å; Y1341-M1411 HydrophobicContact CD2-SD 3.51Å; Y1341-M1411 VanDerWaalsContact CD2-SD 3.51Å; Y1341-M1411 HydrophobicContact CE2-CE 3.64Å; Y1341-M1411 HydrophobicContact CE2-SD 3.62Å; Y1341-M1411 HydrophobicContact CG-SD 4.26Å; Y1341-H1427 PolarHBondContact N-O 3.11Å; Y1341-H1427 WeakPolarHBondContact O-CB 3.2Å; Y1341-H1427 PolarHBondContact O-N 3.04Å; Y1341-H1427 PolarHBondContact O-ND1 3.4Å; Y1341-H1427 VanDerWaalsContact O-ND1 3.14Å |
| 1342 | K | 59.1 | Low | 58.1 | Low | 112 Ų | 112 | 78.2 Ų | 78.2 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55 | 92.5 | 168.7 | 175.5 | -163.5 | 152.1 | -150.8 | 0 | 113.5 | H1427 | K1342-H1427 PolarHBondContact NZ-CE1 2.84Å; K1342-H1427 VanDerWaalsContact NZ-CE1 3.32Å; K1342-H1427 PolarHBondContact NZ-NE2 3.32Å; K1342-H1427 PolarHBondContact O-ND1 3.29Å |
| 1343 | L | 55.6 | Low | 55.5 | Low | 56 Ų | 56 | 82 Ų | 82 | 29% | 0.293 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 139.6 | 165.5 | -174.2 | 64.2 | 0 | 0 | 0 | 110.9 | V1380 L1389 Y1424 S1425 F1426 | L1343-V1380 HydrophobicContact CD1-CG2 4.44Å; L1343-L1389 HydrophobicContact CD1-CD2 4.02Å; L1343-L1389 HydrophobicContact CD2-CB 4.07Å; L1343-L1389 HydrophobicContact CD2-CD2 4.06Å; L1343-Y1424 HydrophobicContact CD1-CD1 4.38Å; L1343-S1425 CarbonylContact C-O 3.6Å; L1343-S1425 WeakPolarHBondContact CA-O 3.35Å; L1343-F1426 HydrophobicContact CD1-CB 4.43Å; L1343-F1426 HydrophobicContact CD1-CD1 4.12Å |
| 1344 | A | 56.7 | Low | 52.8 | Low | 42 Ų | 42 | 86.5 Ų | 86.5 | 35% | 0.347 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 112 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | S1425 | A1344-S1425 PolarHBondContact N-O 2.74Å; A1344-S1425 PolarHBondContact O-N 3.5Å; A1344-S1425 PolarHBondContact O-OG 3.42Å |
| 1345 | G | 48.5 | Very low | 49.8 | Very low | 42 Ų | 42 | 91.8 Ų | 91.8 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | trans | -156.3 | 175.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1346 | Q | 41.5 | Very low | 46.8 | Very low | 161 Ų | 161 | 97.9 Ų | 97.9 | 75% | 0.752 | 52% | 0.519 | S | S | * | . | trans | -111.3 | 96 | -170 | -176.5 | 178.1 | -32.6 | 0 | 0 | 113 | ||||
| 1347 | Q | 38.1 | Very low | 44 | Very low | 160 Ų | 160 | 100.6 Ų | 100.6 | 75% | 0.748 | 54% | 0.539 | S | S | * | . | trans | -159.2 | 152.4 | 147.5 | -119.7 | 176.5 | 91.4 | 0 | 0 | 116.1 | ||||
| 1348 | S | 24.5 | Very low | 41.2 | Very low | 105 Ų | 105 | 103.7 Ų | 103.7 | 73% | 0.734 | 56% | 0.559 | S | S | * | * | trans | -153.3 | 142.7 | 161.1 | 64.2 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 1349 | P | 33.8 | Very low | 38.6 | Very low | 111 Ų | 111 | 111 Ų | 111 | 72% | 0.721 | 59% | 0.587 | S | S | * | * | cis | -149.3 | 154.5 | 45.9 | 39.5 | -20.3 | 0 | 0 | 0 | 117.7 | ||||
| 1350 | K | 24.4 | Very low | 36.5 | Very low | 200 Ų | 200 | 111.9 Ų | 111.9 | 87% | 0.87 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -178.9 | 87.5 | 135.7 | -103.3 | 166.2 | -176.9 | 176.7 | 0 | 111.8 | ||
| 1351 | N | 25.5 | Very low | 34.7 | Very low | 165 Ų | 165 | 114.5 Ų | 114.5 | 88% | 0.882 | 62% | 0.617 | S | S | * | * | trans | 158.6 | 121.9 | 146.2 | -83.8 | -17.3 | 0 | 0 | 0 | 109.4 | ||||
| 1352 | E | 22.3 | Very low | 33.2 | Very low | 200 Ų | 200 | 118.4 Ų | 118.4 | 94% | 0.935 | 64% | 0.635 | S | S | * | * | trans | -93.3 | 117 | -177.7 | -65.2 | -168.5 | 120.3 | 0 | 0 | 111.9 | ||||
| 1353 | V | 24.7 | Very low | 31.9 | Very low | 121 Ų | 121 | 120 Ų | 120 | 73% | 0.733 | 65% | 0.647 | S | S | * | * | trans | -135.4 | 117.8 | 159.6 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | I1355 | V1353-I1355 HydrophobicContact CG1-CG1 4.4Å; V1353-I1355 PolarHBondContact O-N 2.98Å; V1353-I1355 VanDerWaalsContact O-N 3.16Å | ||
| 1354 | P | 26.1 | Very low | 30.8 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 84% | 0.844 | 67% | 0.669 | S | S | * | * | trans | -84.6 | 93.4 | -170.3 | 32.1 | -35.2 | 0 | 0 | 0 | 112.7 | M1356 | P1354-M1356 PolarHBondContact O-N 2.92Š| ||
| 1355 | I | 25.5 | Very low | 29.9 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 57% | 0.569 | 67% | 0.674 | S | S | * | * | trans | -88.7 | 107.8 | 179.1 | -59.6 | -177.2 | 0 | 0 | 0 | 112.1 | V1353 V1357 | V1353-I1355 HydrophobicContact CG1-CG1 4.4Å; V1353-I1355 PolarHBondContact O-N 2.98Å; V1353-I1355 VanDerWaalsContact O-N 3.16Å; I1355-V1357 HydrophobicContact CG2-CB 4.16Å; I1355-V1357 HydrophobicContact CG2-CG2 4.04Å | ||
| 1356 | M | 22.3 | Very low | 29.6 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 64% | 0.635 | 69% | 0.685 | S | S | * | * | trans | -105.9 | 98.1 | 151.4 | -77.3 | -178.7 | 65.8 | 0 | 0 | 108.7 | Q720 P1354 | Q720-M1356 PolarHBondContact NE2-SD 3.47Å; Q720-M1356 PolarHBondContact OE1-SD 3.29Å; P1354-M1356 PolarHBondContact O-N 2.92Å | ||
| 1357 | V | 26.5 | Very low | 29.9 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 56% | 0.564 | 67% | 0.672 | S | S | * | * | trans | -138.5 | 139 | 170.8 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | I1355 N1361 | I1355-V1357 HydrophobicContact CG2-CB 4.16Å; I1355-V1357 HydrophobicContact CG2-CG2 4.04Å; V1357-N1361 PolarHBondContact O-ND2 3.28Å | ||
| 1358 | N | 25.3 | Very low | 30.9 | Very low | 140 Ų | 140 | 124.2 Ų | 124.2 | 75% | 0.749 | 64% | 0.644 | S | S | * | * | trans | -63.4 | 174.9 | -175.2 | -69 | -25.3 | 0 | 0 | 0 | 114.8 | A1360 N1361 | N1358-A1360 PolarHBondContact O-N 3.35Å; N1358-N1361 PolarHBondContact O-N 3.24Å | ||
| 1359 | Y | 25.8 | Very low | 33 | Very low | 163 Ų | 163 | 119.4 Ų | 119.4 | 64% | 0.639 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 4.3 | -40.1 | 164.3 | -109.2 | -94 | 0 | 0 | 0 | 121.2 | N1361 F1362 T1794 | Y1359-N1361 PolarHBondContact O-N 3.35Å; Y1359-N1361 VanDerWaalsContact O-N 3.17Å; Y1359-F1362 VanDerWaalsContact O-CB 3.26Å; Y1359-F1362 WeakPolarHBondContact O-CB 3.46Å; Y1359-F1362 PolarHBondContact O-N 2.95Å; Y1359-T1794 PolarHBondContact OH-OG1 2.83Å; Y1359-T1794 VanDerWaalsContact OH-OG1 3.04Å |
| 1360 | A | 27.4 | Very low | 35 | Very low | 71 Ų | 71 | 115.2 Ų | 115.2 | 59% | 0.587 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -54 | -31 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1358 F1362 I1363 R1364 | N1358-A1360 PolarHBondContact O-N 3.35Å; A1360-F1362 PolarHBondContact O-N 2.9Å; A1360-I1363 PolarHBondContact O-N 3.29Å; A1360-R1364 PolarHBondContact O-N 3.24Å |
| 1361 | N | 31.4 | Very low | 37.8 | Very low | 56 Ų | 56 | 105.7 Ų | 105.7 | 30% | 0.299 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.7 | -9 | 173.3 | -77.4 | -39 | 0 | 0 | 0 | 114.6 | V1357 N1358 Y1359 Q1365 | V1357-N1361 PolarHBondContact O-ND2 3.28Å; N1358-N1361 PolarHBondContact O-N 3.24Å; Y1359-N1361 PolarHBondContact O-N 3.35Å; Y1359-N1361 VanDerWaalsContact O-N 3.17Å; N1361-Q1365 WeakPolarHBondContact O-CG 3.41Å; N1361-Q1365 PolarHBondContact O-N 3.45Å |
| 1362 | F | 32.4 | Very low | 40.8 | Very low | 119 Ų | 119 | 97.8 Ų | 97.8 | 52% | 0.522 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -77 | -36 | 173.9 | -168.6 | -117.6 | 0 | 0 | 0 | 112 | Y1359 A1360 Q1365 | Y1359-F1362 VanDerWaalsContact O-CB 3.26Å; Y1359-F1362 WeakPolarHBondContact O-CB 3.46Å; Y1359-F1362 PolarHBondContact O-N 2.95Å; A1360-F1362 PolarHBondContact O-N 2.9Å; F1362-Q1365 PolarHBondContact O-N 3.04Å |
| 1363 | I | 31.4 | Very low | 44 | Very low | 144 Ų | 144 | 88.3 Ų | 88.3 | 74% | 0.738 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -71.4 | -38.6 | 173.4 | -62.3 | 178.5 | 0 | 0 | 0 | 110 | A1360 Q1365 L1366 | A1360-I1363 PolarHBondContact O-N 3.29Å; I1363-Q1365 PolarHBondContact O-N 3.45Å; I1363-Q1365 VanDerWaalsContact O-N 3.15Å; I1363-L1366 PolarHBondContact O-N 3.49Å |
| 1364 | R | 33.1 | Very low | 47.2 | Very low | 196 Ų | 196 | 82.5 Ų | 82.5 | 74% | 0.74 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -0.6 | 169.9 | -73 | -173.9 | 168.9 | -169.6 | -6.4 | 115.2 | A1360 L1366 I1367 | A1360-R1364 PolarHBondContact O-N 3.24Å; R1364-L1366 VanDerWaalsContact C-N 3.34Å; R1364-I1367 WeakPolarHBondContact O-CG1 3.28Å |
| 1365 | Q | 38 | Very low | 50.2 | Low | 98 Ų | 98 | 78.4 Ų | 78.4 | 46% | 0.458 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -4.1 | 172.8 | -89.5 | -177.5 | -8.5 | 0 | 0 | 113.9 | N1361 F1362 I1363 | N1361-Q1365 WeakPolarHBondContact O-CG 3.41Å; N1361-Q1365 PolarHBondContact O-N 3.45Å; F1362-Q1365 PolarHBondContact O-N 3.04Å; I1363-Q1365 PolarHBondContact O-N 3.45Å; I1363-Q1365 VanDerWaalsContact O-N 3.15Å |
| 1366 | L | 40.7 | Very low | 53.2 | Low | 127 Ų | 127 | 74.7 Ų | 74.7 | 67% | 0.665 | 37% | 0.37 | S | S | * | . | trans | -98.6 | 68.6 | 159.6 | -70.2 | 170.9 | 0 | 0 | 0 | 109.3 | Y1341 I1363 R1364 Q1368 | Y1341-L1366 HydrophobicContact CD1-CD2 4.27Å; I1363-L1366 PolarHBondContact O-N 3.49Å; R1364-L1366 VanDerWaalsContact C-N 3.34Å; L1366-Q1368 PolarHBondContact O-N 3Å; L1366-Q1368 VanDerWaalsContact O-N 3.13Å | ||
| 1367 | I | 48.4 | Very low | 56.4 | Low | 93 Ų | 93 | 68.6 Ų | 68.6 | 48% | 0.477 | 34% | 0.34 | S | S | . | . | trans | -71.5 | 104.1 | 159.4 | -49.4 | -178.1 | 0 | 0 | 0 | 105.7 | R1364 V1369 | R1364-I1367 WeakPolarHBondContact O-CG1 3.28Å; I1367-V1369 HydrophobicContact CG2-CG1 3.77Å | ||
| 1368 | Q | 59 | Low | 59.5 | Low | 37 Ų | 37 | 64.3 Ų | 64.3 | 17% | 0.173 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 124.7 | 166.9 | -163.5 | 176.2 | 27.3 | 0 | 0 | 106.6 | E1339 Y1341 L1366 | E1339-Q1368 PolarHBondContact OE1-NE2 3.4Å; Y1341-Q1368 HydrophobicContact CE1-CG 4.1Å; L1366-Q1368 PolarHBondContact O-N 3Å; L1366-Q1368 VanDerWaalsContact O-N 3.13Å |
| 1369 | V | 68.2 | Low | 62.6 | Low | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.024 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 151.4 | -177.9 | -67.6 | 0 | 0 | 0 | 0 | 108 | A1340 I1367 V1380 V1381 L1388 | A1340-V1369 CarbonylContact C-O 3.38Å; A1340-V1369 VanDerWaalsContact C-O 3.26Å; A1340-V1369 VanDerWaalsContact CA-O 3.25Å; A1340-V1369 WeakPolarHBondContact CA-O 3.26Å; A1340-V1369 HydrophobicContact CB-CG2 3.97Å; A1340-V1369 WeakPolarHBondContact CB-O 3.5Å; A1340-V1369 PolarHBondContact N-O 3.46Å; A1340-V1369 PolarHBondContact O-N 3.47Å; I1367-V1369 HydrophobicContact CG2-CG1 3.77Å; V1369-V1380 HydrophobicContact CB-CG1 3.77Å; V1369-V1380 HydrophobicContact CG1-CG1 4.31Å; V1369-V1380 HydrophobicContact CG2-CG1 3.83Å; V1369-V1381 CarbonylContact C-O 3.53Å; V1369-V1381 VanDerWaalsContact CA-O 3.26Å; V1369-V1381 WeakPolarHBondContact CA-O 3.44Å; V1369-V1381 WeakPolarHBondContact CB-O 3.27Å; V1369-L1388 HydrophobicContact CG1-CD1 3.77Å |
| 1370 | V | 76.7 | Confident | 65.3 | Low | 22 Ų | 22 | 50.7 Ų | 50.7 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 118.4 | 178.4 | -167.4 | 0 | 0 | 0 | 0 | 108 | L986 F1337 A1372 V1380 V1381 | L986-V1370 HydrophobicContact CD1-CG1 4.25Å; L986-V1370 HydrophobicContact CD1-CG2 4.07Å; F1337-V1370 HydrophobicContact CB-CG1 3.79Å; F1337-V1370 HydrophobicContact CD1-CG1 3.67Å; F1337-V1370 HydrophobicContact CG-CG1 4.2Å; V1370-A1372 PolarHBondContact O-N 3.04Å; V1370-V1380 WeakPolarHBondContact O-CA 3.24Å; V1370-V1381 PolarHBondContact N-O 3.16Å; V1370-V1381 PolarHBondContact O-N 3.4Å |
| 1371 | A | 83.2 | Confident | 67.6 | Low | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 108.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | F1338 A1340 Y1379 F1426 I1434 | F1338-A1371 HydrophobicContact CB-CB 4.43Å; F1338-A1371 PolarHBondContact N-O 3.42Å; F1338-A1371 PolarHBondContact O-N 2.96Å; A1340-A1371 HydrophobicContact CB-CB 4Å; A1371-Y1379 CarbonylContact C-O 3.33Å; A1371-Y1379 WeakPolarHBondContact CA-O 3.42Å; A1371-F1426 HydrophobicContact CB-CD2 4.3Å; A1371-F1426 HydrophobicContact CB-CE2 3.71Å; A1371-F1426 HydrophobicContact CB-CZ 4.29Å; A1371-I1434 HydrophobicContact CB-CD1 4.45Å |
| 1372 | A | 87.9 | Confident | 69.5 | Low | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 112.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109 | L1332 F1337 V1370 Y1379 | L1332-A1372 HydrophobicContact CD2-CB 4.21Å; F1337-A1372 HydrophobicContact CD1-CB 3.75Å; F1337-A1372 HydrophobicContact CE1-CB 3.84Å; V1370-A1372 PolarHBondContact O-N 3.04Å; A1372-Y1379 PolarHBondContact N-O 3.11Å; A1372-Y1379 PolarHBondContact O-N 3.34Å |
| 1373 | V | 90.4 | Very high | 70.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.9 | 176.1 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | I1204 S1335 K1336 F1338 V1378 I1434 L1437 V1438 F1441 | I1204-V1373 WeakPolarHBondContact CD1-O 3.3Å; S1335-V1373 CarbonylContact C-O 3.56Å; S1335-V1373 VanDerWaalsContact CA-O 3.24Å; S1335-V1373 WeakPolarHBondContact CA-O 3.47Å; S1335-V1373 WeakPolarHBondContact CB-O 3.47Å; K1336-V1373 PolarHBondContact N-O 3.37Å; K1336-V1373 PolarHBondContact O-N 3.16Å; F1338-V1373 HydrophobicContact CD2-CG2 4.21Å; F1338-V1373 HydrophobicContact CE2-CB 4.25Å; F1338-V1373 HydrophobicContact CE2-CG2 3.93Å; V1373-V1378 HydrophobicContact CG2-CG1 4.49Å; V1373-V1378 HydrophobicContact CG2-CG2 4.42Å; V1373-I1434 HydrophobicContact CG2-CG2 4.24Å; V1373-L1437 HydrophobicContact CB-CD2 3.84Å; V1373-L1437 HydrophobicContact CG1-CD2 3.73Å; V1373-L1437 HydrophobicContact CG1-CG 3.95Å; V1373-L1437 HydrophobicContact CG2-CD2 4.47Å; V1373-V1438 HydrophobicContact CG1-CG2 3.79Å; V1373-V1438 HydrophobicContact CG2-CG2 4.04Å; V1373-F1441 HydrophobicContact CG1-CD2 4.39Å; V1373-F1441 HydrophobicContact CG1-CE2 4.28Å |
| 1374 | N | 90.5 | Very high | 72.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -140.4 | -160.7 | -179 | 62.1 | 34.2 | 0 | 0 | 0 | 111.3 | P1331 S1335 T1376 G1377 Y1379 F1393 F1441 | P1331-N1374 VanDerWaalsContact O-CB 3.29Å; P1331-N1374 WeakPolarHBondContact O-CB 3.46Å; P1331-N1374 PolarHBondContact O-ND2 3.13Å; P1331-N1374 VanDerWaalsContact O-ND2 3.13Å; S1335-N1374 PolarHBondContact OG-ND2 3.07Å; N1374-T1376 PolarHBondContact OD1-N 3.17Å; N1374-T1376 PolarHBondContact OD1-OG1 2.8Å; N1374-G1377 PolarHBondContact N-O 3.31Å; N1374-G1377 VanDerWaalsContact N-O 3.11Å; N1374-G1377 PolarHBondContact OD1-N 3.21Å; N1374-G1377 PolarHBondContact OD1-O 2.87Å; N1374-Y1379 VanDerWaalsContact ND2-CD2 3.29Å; N1374-Y1379 WeakPolarHBondContact ND2-CD2 3.32Å; N1374-Y1379 WeakPolarHBondContact ND2-CE2 3.31Å; N1374-Y1379 WeakPolarHBondContact OD1-CE2 3.3Å; N1374-F1393 WeakPolarHBondContact O-CE2 3.32Å; N1374-F1393 WeakPolarHBondContact O-CZ 3.49Å; N1374-F1441 WeakPolarHBondContact O-CE2 3.4Å | ||
| 1375 | W | 89.1 | Confident | 73.7 | Confident | 43 Ų | 43 | 38.2 Ų | 38.2 | 16% | 0.163 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -83.9 | -14.4 | -174.9 | 77.8 | -89.1 | 0 | 0 | 0 | 114.4 | F1205 R1327 L1328 | F1205-W1375 HydrophobicContact CB-CB 3.96Å; F1205-W1375 HydrophobicContact CB-CG 4.33Å; F1205-W1375 WeakPolarHBondContact O-CB 3.45Å; R1327-W1375 HydrophobicContact CG-CD2 3.93Å; R1327-W1375 HydrophobicContact CG-CG 3.98Å; R1327-W1375 HydrophobicContact CG-CZ2 4.23Å; R1327-W1375 PolarHBondContact O-NE1 2.92Å; L1328-W1375 HydrophobicContact CD2-CH2 3.82Å; L1328-W1375 HydrophobicContact CD2-CZ2 3.95Å |
| 1376 | T | 88.6 | Confident | 75.2 | Confident | 34 Ų | 34 | 39.1 Ų | 39.1 | 21% | 0.209 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -94.2 | -35.2 | 174.2 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | N1374 Y1379 T1392 F1393 | N1374-T1376 PolarHBondContact OD1-N 3.17Å; N1374-T1376 PolarHBondContact OD1-OG1 2.8Å; T1376-Y1379 WeakPolarHBondContact OG1-CE2 3.49Å; T1376-Y1379 PolarHBondContact OG1-OH 2.91Å; T1376-T1392 WeakPolarHBondContact O-CA 3.26Å; T1376-F1393 VanDerWaalsContact C-CE2 3.45Å; T1376-F1393 VanDerWaalsContact O-CD2 3.26Å; T1376-F1393 WeakPolarHBondContact O-CD2 3.48Å; T1376-F1393 PolarHBondContact O-N 2.77Å |
| 1377 | G | 90.6 | Very high | 76.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.7 | -150.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N1374 L1391 F1393 | N1374-G1377 PolarHBondContact N-O 3.31Å; N1374-G1377 VanDerWaalsContact N-O 3.11Å; N1374-G1377 PolarHBondContact OD1-N 3.21Å; N1374-G1377 PolarHBondContact OD1-O 2.87Å; G1377-L1391 CarbonylContact C-O 3.57Å; G1377-L1391 WeakPolarHBondContact CA-O 3.46Å; G1377-F1393 VanDerWaalsContact N-CE2 3.31Å |
| 1378 | V | 91 | Very high | 78.3 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.1 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | V1373 L1391 I1396 F1426 V1438 | V1373-V1378 HydrophobicContact CG2-CG1 4.49Å; V1373-V1378 HydrophobicContact CG2-CG2 4.42Å; V1378-L1391 PolarHBondContact N-O 2.79Å; V1378-L1391 PolarHBondContact O-N 3.34Å; V1378-I1396 HydrophobicContact CB-CD1 4.43Å; V1378-I1396 HydrophobicContact CG2-CD1 3.9Å; V1378-F1426 HydrophobicContact CG1-CZ 4.49Å; V1378-V1438 HydrophobicContact CG2-CG1 4.2Å; V1378-V1438 HydrophobicContact CG2-CG2 3.51Å |
| 1379 | Y | 89.7 | Confident | 79.5 | Confident | 16 Ų | 16 | 35.3 Ų | 35.3 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 144.7 | 178.1 | -63.4 | -103.3 | 0 | 0 | 0 | 109.5 | L1332 A1371 A1372 N1374 T1376 V1387 L1389 E1390 | L1332-Y1379 HydrophobicContact CD2-CD1 4.16Å; L1332-Y1379 HydrophobicContact CD2-CD2 4.34Å; L1332-Y1379 HydrophobicContact CD2-CG 3.9Å; A1371-Y1379 CarbonylContact C-O 3.33Å; A1371-Y1379 WeakPolarHBondContact CA-O 3.42Å; A1372-Y1379 PolarHBondContact N-O 3.11Å; A1372-Y1379 PolarHBondContact O-N 3.34Å; N1374-Y1379 VanDerWaalsContact ND2-CD2 3.29Å; N1374-Y1379 WeakPolarHBondContact ND2-CD2 3.32Å; N1374-Y1379 WeakPolarHBondContact ND2-CE2 3.31Å; N1374-Y1379 WeakPolarHBondContact OD1-CE2 3.3Å; T1376-Y1379 WeakPolarHBondContact OG1-CE2 3.49Å; T1376-Y1379 PolarHBondContact OG1-OH 2.91Å; Y1379-V1387 HydrophobicContact CD1-CG1 4.04Å; Y1379-V1387 HydrophobicContact CD1-CG2 4.44Å; Y1379-L1389 CarbonylContact C-O 3.57Å; Y1379-L1389 WeakPolarHBondContact CA-O 3.31Å; Y1379-E1390 HydrophobicContact CD1-CB 4.03Å; Y1379-E1390 HydrophobicContact CD1-CG 4.05Å; Y1379-E1390 HydrophobicContact CE1-CB 3.91Å; Y1379-E1390 HydrophobicContact CE1-CG 3.45Å; Y1379-E1390 VanDerWaalsContact CE1-CG 3.45Å; Y1379-E1390 WeakPolarHBondContact CE1-OE1 3.41Å; Y1379-E1390 PolarHBondContact OH-OE1 3.43Å |
| 1380 | V | 84.4 | Confident | 80.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.6 | 169.2 | -175.3 | 0 | 0 | 0 | 0 | 107.7 | L1343 V1369 V1370 L1388 L1389 | L1343-V1380 HydrophobicContact CD1-CG2 4.44Å; V1369-V1380 HydrophobicContact CB-CG1 3.77Å; V1369-V1380 HydrophobicContact CG1-CG1 4.31Å; V1369-V1380 HydrophobicContact CG2-CG1 3.83Å; V1370-V1380 WeakPolarHBondContact O-CA 3.24Å; V1380-L1388 PolarHBondContact O-N 3.36Å; V1380-L1389 HydrophobicContact CB-CB 4.03Å; V1380-L1389 HydrophobicContact CG2-CB 4.09Å; V1380-L1389 HydrophobicContact CG2-CD2 4.17Å; V1380-L1389 PolarHBondContact N-O 3.4Å; V1380-L1389 PolarHBondContact O-N 2.8Å |
| 1381 | V | 75.5 | Confident | 80.9 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 10% | 0.097 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 146.4 | -173.5 | -169 | 0 | 0 | 0 | 0 | 109.7 | L1332 V1369 V1370 Q1386 V1387 | L1332-V1381 HydrophobicContact CD2-CG2 4.41Å; V1369-V1381 CarbonylContact C-O 3.53Å; V1369-V1381 VanDerWaalsContact CA-O 3.26Å; V1369-V1381 WeakPolarHBondContact CA-O 3.44Å; V1369-V1381 WeakPolarHBondContact CB-O 3.27Å; V1370-V1381 PolarHBondContact N-O 3.16Å; V1370-V1381 PolarHBondContact O-N 3.4Å; V1381-Q1386 CarbonylContact C-O 3.54Å; V1381-Q1386 VanDerWaalsContact CA-O 3.29Å; V1381-Q1386 WeakPolarHBondContact CA-O 3.39Å; V1381-Q1386 WeakPolarHBondContact CG1-O 3.34Å; V1381-V1387 HydrophobicContact CG2-CG2 4.49Å |
| 1382 | D | 69.6 | Low | 81.2 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 20% | 0.198 | 22% | 0.216 | C | C | . | . | trans | -94.5 | -176.8 | 175.5 | 77.6 | 5.4 | 0 | 0 | 0 | 114 | E1384 E1385 Q1386 L1388 | D1382-E1384 PolarHBondContact O-N 3.19Å; D1382-E1384 WeakPolarHBondContact OD1-CA 3.43Å; D1382-E1384 PolarHBondContact OD1-N 3.29Å; D1382-E1385 PolarHBondContact O-N 3.33Å; D1382-E1385 PolarHBondContact OD1-N 2.78Å; D1382-Q1386 PolarHBondContact N-O 3.21Å; D1382-Q1386 WeakPolarHBondContact OD1-CB 3.38Å; D1382-Q1386 PolarHBondContact OD1-N 3.33Å; D1382-L1388 HydrophobicContact CB-CD1 3.99Å; D1382-L1388 HydrophobicContact CB-CD2 4.23Å; D1382-L1388 HydrophobicContact CB-CG 4.1Å | ||
| 1383 | S | 59.8 | Low | 81.3 | Confident | 79 Ų | 79 | 41.8 Ų | 41.8 | 55% | 0.552 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -6.5 | 178.7 | 55.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1384 | E | 61.4 | Low | 81.1 | Confident | 132 Ų | 132 | 42.8 Ų | 42.8 | 62% | 0.617 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 15.5 | 176.7 | -62.3 | -168.8 | -166.1 | 0 | 0 | 112.2 | D1382 Q1386 | D1382-E1384 PolarHBondContact O-N 3.19Å; D1382-E1384 WeakPolarHBondContact OD1-CA 3.43Å; D1382-E1384 PolarHBondContact OD1-N 3.29Å; E1384-Q1386 HydrophobicContact CB-CG 4.46Å; E1384-Q1386 PolarHBondContact O-N 2.89Å |
| 1385 | E | 64 | Low | 80.8 | Confident | 61 Ų | 61 | 45.2 Ų | 45.2 | 29% | 0.285 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 68 | 17 | -178.6 | -51.6 | 168.4 | 167.3 | 0 | 0 | 113.3 | F983 D1382 | F983-E1385 HydrophobicContact CB-CG 4.15Å; F983-E1385 WeakPolarHBondContact CB-OE1 2.87Å; F983-E1385 HydrophobicContact CD2-CB 4.22Å; F983-E1385 HydrophobicContact CD2-CG 3.92Å; F983-E1385 HydrophobicContact CG-CG 4.4Å; F983-E1385 PolarHBondContact N-OE1 3.38Å; D1382-E1385 PolarHBondContact O-N 3.33Å; D1382-E1385 PolarHBondContact OD1-N 2.78Å |
| 1386 | Q | 70.5 | Confident | 80.8 | Confident | 117 Ų | 117 | 43.1 Ų | 43.1 | 55% | 0.547 | 23% | 0.227 | S | C | . | . | trans | -86.7 | 134.6 | 178.9 | -59.3 | -57.5 | -71.8 | 0 | 0 | 112.2 | V1381 D1382 E1384 L1388 | V1381-Q1386 CarbonylContact C-O 3.54Å; V1381-Q1386 VanDerWaalsContact CA-O 3.29Å; V1381-Q1386 WeakPolarHBondContact CA-O 3.39Å; V1381-Q1386 WeakPolarHBondContact CG1-O 3.34Å; D1382-Q1386 PolarHBondContact N-O 3.21Å; D1382-Q1386 WeakPolarHBondContact OD1-CB 3.38Å; D1382-Q1386 PolarHBondContact OD1-N 3.33Å; E1384-Q1386 HydrophobicContact CB-CG 4.46Å; E1384-Q1386 PolarHBondContact O-N 2.89Å; Q1386-L1388 PolarHBondContact O-N 3.39Å | ||
| 1387 | V | 76.5 | Confident | 80.4 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 39% | 0.394 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 113.9 | 174.3 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | L1332 Y1379 V1381 L1389 E1390 | L1332-V1387 HydrophobicContact CD1-CG2 4.23Å; Y1379-V1387 HydrophobicContact CD1-CG1 4.04Å; Y1379-V1387 HydrophobicContact CD1-CG2 4.44Å; V1381-V1387 HydrophobicContact CG2-CG2 4.49Å; V1387-L1389 WeakPolarHBondContact CG1-O 3.31Å; V1387-E1390 HydrophobicContact CG1-CB 4.29Å |
| 1388 | L | 77.4 | Confident | 80 | Confident | 86 Ų | 86 | 46.7 Ų | 46.7 | 45% | 0.45 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -26.5 | 176.6 | -58.1 | -176.9 | 0 | 0 | 0 | 113.1 | V1369 V1380 D1382 Q1386 | V1369-L1388 HydrophobicContact CG1-CD1 3.77Å; V1380-L1388 PolarHBondContact O-N 3.36Å; D1382-L1388 HydrophobicContact CB-CD1 3.99Å; D1382-L1388 HydrophobicContact CB-CD2 4.23Å; D1382-L1388 HydrophobicContact CB-CG 4.1Å; Q1386-L1388 PolarHBondContact O-N 3.39Å |
| 1389 | L | 83.3 | Confident | 79.9 | Confident | 25 Ų | 25 | 47.1 Ų | 47.1 | 13% | 0.131 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 137.8 | 178.3 | 178.1 | 64.6 | 0 | 0 | 0 | 109 | L1343 Y1379 V1380 V1387 L1391 Y1424 | L1343-L1389 HydrophobicContact CD1-CD2 4.02Å; L1343-L1389 HydrophobicContact CD2-CB 4.07Å; L1343-L1389 HydrophobicContact CD2-CD2 4.06Å; Y1379-L1389 CarbonylContact C-O 3.57Å; Y1379-L1389 WeakPolarHBondContact CA-O 3.31Å; V1380-L1389 HydrophobicContact CB-CB 4.03Å; V1380-L1389 HydrophobicContact CG2-CB 4.09Å; V1380-L1389 HydrophobicContact CG2-CD2 4.17Å; V1380-L1389 PolarHBondContact N-O 3.4Å; V1380-L1389 PolarHBondContact O-N 2.8Å; V1387-L1389 WeakPolarHBondContact CG1-O 3.31Å; L1389-L1391 HydrophobicContact CD1-CD2 4.17Å; L1389-L1391 HydrophobicContact CD1-CG 4.04Å; L1389-L1391 HydrophobicContact CD2-CD1 3.98Å; L1389-L1391 HydrophobicContact CD2-CG 4.17Å; L1389-L1391 HydrophobicContact CG-CD1 4.41Å; L1389-L1391 HydrophobicContact CG-CG 4.04Å; L1389-Y1424 HydrophobicContact CD1-CD1 4.3Å; L1389-Y1424 HydrophobicContact CD1-CE1 3.88Å; L1389-Y1424 HydrophobicContact CD2-CD1 3.59Å; L1389-Y1424 HydrophobicContact CD2-CE1 4.04Å; L1389-Y1424 HydrophobicContact CD2-CG 3.96Å |
| 1390 | E | 87.6 | Confident | 79.8 | Confident | 102 Ų | 102 | 48.2 Ų | 48.2 | 48% | 0.477 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.2 | 168.5 | 171 | 165.7 | -158 | 0 | 0 | 106.9 | Y1379 V1387 | Y1379-E1390 HydrophobicContact CD1-CB 4.03Å; Y1379-E1390 HydrophobicContact CD1-CG 4.05Å; Y1379-E1390 HydrophobicContact CE1-CB 3.91Å; Y1379-E1390 HydrophobicContact CE1-CG 3.45Å; Y1379-E1390 VanDerWaalsContact CE1-CG 3.45Å; Y1379-E1390 WeakPolarHBondContact CE1-OE1 3.41Å; Y1379-E1390 PolarHBondContact OH-OE1 3.43Å; V1387-E1390 HydrophobicContact CG1-CB 4.29Å |
| 1391 | L | 87.6 | Confident | 80.1 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 109.7 | 173.8 | -69.4 | 176.7 | 0 | 0 | 0 | 108.5 | G1377 V1378 L1389 I1396 V1416 T1418 Y1424 | G1377-L1391 CarbonylContact C-O 3.57Å; G1377-L1391 WeakPolarHBondContact CA-O 3.46Å; V1378-L1391 PolarHBondContact N-O 2.79Å; V1378-L1391 PolarHBondContact O-N 3.34Å; L1389-L1391 HydrophobicContact CD1-CD2 4.17Å; L1389-L1391 HydrophobicContact CD1-CG 4.04Å; L1389-L1391 HydrophobicContact CD2-CD1 3.98Å; L1389-L1391 HydrophobicContact CD2-CG 4.17Å; L1389-L1391 HydrophobicContact CG-CD1 4.41Å; L1389-L1391 HydrophobicContact CG-CG 4.04Å; L1391-I1396 HydrophobicContact CB-CD1 4.03Å; L1391-I1396 HydrophobicContact CB-CG1 4.04Å; L1391-V1416 HydrophobicContact CD1-CB 4.23Å; L1391-V1416 HydrophobicContact CD1-CG1 3.74Å; L1391-T1418 HydrophobicContact CD1-CG2 4.43Å; L1391-T1418 HydrophobicContact CD2-CG2 3.88Å; L1391-Y1424 HydrophobicContact CD1-CD2 3.96Å; L1391-Y1424 HydrophobicContact CD1-CE2 4.49Å; L1391-Y1424 HydrophobicContact CD1-CG 4.31Å; L1391-Y1424 HydrophobicContact CD2-CD2 4.49Å; L1391-Y1424 HydrophobicContact CD2-CE2 4.24Å |
| 1392 | T | 89.3 | Confident | 80.3 | Confident | 45 Ų | 45 | 52 Ų | 52 | 28% | 0.276 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 155.3 | 174.6 | 71.2 | 0 | 0 | 0 | 0 | 110.5 | T1376 V1394 E1395 I1396 | T1376-T1392 WeakPolarHBondContact O-CA 3.26Å; T1392-V1394 PolarHBondContact O-N 3.18Å; T1392-V1394 VanDerWaalsContact O-N 3.11Å; T1392-E1395 WeakPolarHBondContact CA-OE2 3.4Å; T1392-E1395 VanDerWaalsContact CB-OE2 3.27Å; T1392-E1395 WeakPolarHBondContact CB-OE2 3.49Å; T1392-E1395 WeakPolarHBondContact CG2-OE2 3.17Å; T1392-E1395 PolarHBondContact N-OE2 3.13Å; T1392-E1395 PolarHBondContact O-N 3.43Å; T1392-E1395 VanDerWaalsContact O-N 3.07Å; T1392-E1395 PolarHBondContact OG1-OE2 3.27Å; T1392-I1396 WeakPolarHBondContact O-CG1 3.18Å; T1392-I1396 PolarHBondContact O-N 3.02Å |
| 1393 | F | 90.8 | Very high | 80.4 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -28.6 | 178.8 | -67.6 | -60.8 | 0 | 0 | 0 | 113.5 | P1207 N1374 T1376 G1377 E1395 I1396 V1438 F1441 L1442 L1445 P1512 | P1207-F1393 HydrophobicContact CG-CD2 4.13Å; P1207-F1393 HydrophobicContact CG-CE2 3.9Å; N1374-F1393 WeakPolarHBondContact O-CE2 3.32Å; N1374-F1393 WeakPolarHBondContact O-CZ 3.49Å; T1376-F1393 VanDerWaalsContact C-CE2 3.45Å; T1376-F1393 VanDerWaalsContact O-CD2 3.26Å; T1376-F1393 WeakPolarHBondContact O-CD2 3.48Å; T1376-F1393 PolarHBondContact O-N 2.77Å; G1377-F1393 VanDerWaalsContact N-CE2 3.31Å; F1393-E1395 VanDerWaalsContact C-N 3.31Å; F1393-E1395 PolarHBondContact O-N 2.95Å; F1393-I1396 HydrophobicContact CD1-CD1 4.43Å; F1393-I1396 PolarHBondContact O-N 2.98Å; F1393-V1438 HydrophobicContact CE1-CG1 4.25Å; F1393-F1441 HydrophobicContact CD1-CB 4.47Å; F1393-F1441 HydrophobicContact CE1-CB 4Å; F1393-F1441 HydrophobicContact CE1-CD2 4.17Å; F1393-F1441 HydrophobicContact CE2-CB 4.49Å; F1393-F1441 HydrophobicContact CE2-CD2 4.15Å; F1393-F1441 HydrophobicContact CZ-CB 4.05Å; F1393-F1441 AromaticContact CZ-CD2 3.55Å; F1393-F1441 HydrophobicContact CZ-CD2 3.55Å; F1393-F1441 HydrophobicContact CZ-CE2 4.43Å; F1393-F1441 HydrophobicContact CZ-CG 4.28Å; F1393-L1442 HydrophobicContact CB-CD2 4.15Å; F1393-L1442 HydrophobicContact CD1-CD2 4.04Å; F1393-L1442 HydrophobicContact CD1-CG 4.25Å; F1393-L1442 WeakPolarHBondContact O-CD2 3.33Å; F1393-L1445 HydrophobicContact CB-CD1 3.59Å; F1393-L1445 HydrophobicContact CD2-CD1 3.78Å; F1393-L1445 HydrophobicContact CG-CD1 3.74Å; F1393-P1512 WeakPolarHBondContact O-CG 3.35Å |
| 1394 | V | 86.2 | Confident | 80.5 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 13% | 0.127 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -33.5 | 178.9 | -164.7 | 0 | 0 | 0 | 0 | 112.1 | T1392 L1511 P1517 V1521 | T1392-V1394 PolarHBondContact O-N 3.18Å; T1392-V1394 VanDerWaalsContact O-N 3.11Å; V1394-L1511 HydrophobicContact CG1-CD2 4.42Å; V1394-P1517 HydrophobicContact CG1-CB 4.41Å; V1394-V1521 HydrophobicContact CG1-CG1 4.27Å |
| 1395 | E | 84.2 | Confident | 79.9 | Confident | 51 Ų | 51 | 50.6 Ų | 50.6 | 24% | 0.238 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -25 | 178.3 | -66.3 | 158.9 | 117 | 0 | 0 | 112.2 | T1392 F1393 T1397 T1418 I1419 | T1392-E1395 WeakPolarHBondContact CA-OE2 3.4Å; T1392-E1395 VanDerWaalsContact CB-OE2 3.27Å; T1392-E1395 WeakPolarHBondContact CB-OE2 3.49Å; T1392-E1395 WeakPolarHBondContact CG2-OE2 3.17Å; T1392-E1395 PolarHBondContact N-OE2 3.13Å; T1392-E1395 PolarHBondContact O-N 3.43Å; T1392-E1395 VanDerWaalsContact O-N 3.07Å; T1392-E1395 PolarHBondContact OG1-OE2 3.27Å; F1393-E1395 VanDerWaalsContact C-N 3.31Å; F1393-E1395 PolarHBondContact O-N 2.95Å; E1395-T1397 PolarHBondContact O-N 2.81Å; E1395-T1418 CarbonylContact O-C 3.51Å; E1395-T1418 WeakPolarHBondContact O-CA 3.32Å; E1395-I1419 PolarHBondContact O-N 3.25Å |
| 1396 | I | 87.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 114.2 | -177.7 | -57.2 | 170 | 0 | 0 | 0 | 110.2 | V1378 L1391 T1392 F1393 N1398 V1416 V1438 L1442 | V1378-I1396 HydrophobicContact CB-CD1 4.43Å; V1378-I1396 HydrophobicContact CG2-CD1 3.9Å; L1391-I1396 HydrophobicContact CB-CD1 4.03Å; L1391-I1396 HydrophobicContact CB-CG1 4.04Å; T1392-I1396 WeakPolarHBondContact O-CG1 3.18Å; T1392-I1396 PolarHBondContact O-N 3.02Å; F1393-I1396 HydrophobicContact CD1-CD1 4.43Å; F1393-I1396 PolarHBondContact O-N 2.98Å; I1396-N1398 WeakPolarHBondContact CG2-O 3.46Å; I1396-V1416 HydrophobicContact CB-CG1 4.23Å; I1396-V1416 HydrophobicContact CD1-CG1 3.8Å; I1396-V1416 HydrophobicContact CG1-CG1 3.64Å; I1396-V1416 HydrophobicContact CG2-CG1 3.6Å; I1396-V1438 HydrophobicContact CD1-CG1 4.42Å; I1396-L1442 HydrophobicContact CB-CD1 4.45Å; I1396-L1442 HydrophobicContact CB-CD2 4.2Å; I1396-L1442 HydrophobicContact CG2-CD1 3.74Å; I1396-L1442 HydrophobicContact CG2-CD2 4.37Å |
| 1397 | T | 80.8 | Confident | 77.3 | Confident | 39 Ų | 39 | 44.2 Ų | 44.2 | 24% | 0.239 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -37.2 | 175 | 49.9 | 0 | 0 | 0 | 0 | 112 | E1395 E1417 T1418 I1419 R1446 | E1395-T1397 PolarHBondContact O-N 2.81Å; T1397-E1417 PolarHBondContact N-O 3.44Å; T1397-E1417 PolarHBondContact OG1-O 2.76Å; T1397-T1418 PolarHBondContact OG1-O 2.97Å; T1397-I1419 HydrophobicContact CG2-CB 3.95Å; T1397-I1419 HydrophobicContact CG2-CG1 4.22Å; T1397-R1446 PolarHBondContact O-NH2 3.31Å |
| 1398 | N | 83.1 | Confident | 75.4 | Confident | 69 Ų | 69 | 47.9 Ų | 47.9 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 152.9 | -174.3 | -178.3 | 32.4 | 0 | 0 | 0 | 111.2 | I1396 E1417 | I1396-N1398 WeakPolarHBondContact CG2-O 3.46Å; N1398-E1417 HydrophobicContact CB-CB 4.14Å; N1398-E1417 WeakPolarHBondContact CB-OE2 3.17Å; N1398-E1417 PolarHBondContact N-O 3.4Å; N1398-E1417 PolarHBondContact ND2-OE2 2.97Å; N1398-E1417 PolarHBondContact O-N 2.8Å |
| 1399 | V | 88.4 | Confident | 73.8 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 133.3 | 172.7 | 66.6 | 0 | 0 | 0 | 0 | 108.5 | V1414 R1415 V1416 A1435 V1438 L1442 | V1399-V1414 HydrophobicContact CG2-CG1 4.16Å; V1399-R1415 WeakPolarHBondContact CA-O 3.48Å; V1399-R1415 WeakPolarHBondContact CG2-O 3.41Å; V1399-V1416 HydrophobicContact CG2-CG2 4.33Å; V1399-A1435 WeakPolarHBondContact CG1-O 3.43Å; V1399-A1435 HydrophobicContact CG2-CB 4.05Å; V1399-V1438 HydrophobicContact CB-CB 4.42Å; V1399-V1438 HydrophobicContact CB-CG1 3.94Å; V1399-V1438 HydrophobicContact CG1-CB 4.03Å; V1399-V1438 HydrophobicContact CG1-CG1 3.81Å; V1399-V1438 HydrophobicContact CG2-CB 4.21Å; V1399-V1438 HydrophobicContact CG2-CG1 4.09Å; V1399-L1442 HydrophobicContact CG1-CD1 4.2Å |
| 1400 | S | 88 | Confident | 72.4 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 27% | 0.266 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 157 | 174.5 | 66.2 | 0 | 0 | 0 | 0 | 110.5 | V1414 R1415 | S1400-V1414 CarbonylContact O-C 3.42Å; S1400-R1415 PolarHBondContact N-O 3.3Å; S1400-R1415 PolarHBondContact O-N 3.47Å |
| 1401 | W | 90.8 | Very high | 71 | Confident | 78 Ų | 78 | 46.8 Ų | 46.8 | 30% | 0.295 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 159.9 | 166.9 | 75.3 | -74.3 | 0 | 0 | 0 | 109.9 | P1403 A1412 V1413 A1431 E1432 A1435 | W1401-P1403 HydrophobicContact CE3-CB 4.37Å; W1401-P1403 HydrophobicContact CH2-CB 3.88Å; W1401-P1403 HydrophobicContact CZ3-CB 3.61Å; W1401-P1403 HydrophobicContact CZ3-CG 4.45Å; W1401-A1412 HydrophobicContact CE3-CB 4.32Å; W1401-A1412 HydrophobicContact CZ3-CB 4.46Å; W1401-V1413 CarbonylContact C-O 3.55Å; W1401-V1413 VanDerWaalsContact CA-O 3.28Å; W1401-V1413 WeakPolarHBondContact CA-O 3.41Å; W1401-A1431 HydrophobicContact CB-CB 4.29Å; W1401-A1431 WeakPolarHBondContact CB-O 3.23Å; W1401-E1432 HydrophobicContact CD2-CB 3.78Å; W1401-E1432 HydrophobicContact CD2-CG 4.24Å; W1401-E1432 HydrophobicContact CE3-CB 3.86Å; W1401-E1432 HydrophobicContact CG-CB 4.44Å; W1401-E1432 HydrophobicContact CH2-CB 3.81Å; W1401-E1432 VanDerWaalsContact CH2-CD 3.44Å; W1401-E1432 HydrophobicContact CH2-CG 3.97Å; W1401-E1432 VanDerWaalsContact CH2-OE2 3.27Å; W1401-E1432 WeakPolarHBondContact CH2-OE2 3.39Å; W1401-E1432 HydrophobicContact CZ2-CB 3.77Å; W1401-E1432 HydrophobicContact CZ2-CG 3.53Å; W1401-E1432 WeakPolarHBondContact CZ2-OE1 3.4Å; W1401-E1432 HydrophobicContact CZ3-CB 3.83Å; W1401-E1432 HydrophobicContact CZ3-CG 4.48Å; W1401-A1435 HydrophobicContact CB-CB 3.78Å; W1401-A1435 HydrophobicContact CG-CB 4.19Å |
| 1402 | S | 79.9 | Confident | 70.3 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.5 | 166.8 | 48.3 | 0 | 0 | 0 | 0 | 109.5 | V1413 R1415 | S1402-V1413 PolarHBondContact N-O 3.18Å; S1402-V1413 PolarHBondContact O-N 3.36Å; S1402-R1415 PolarHBondContact OG-NH1 2.8Å |
| 1403 | P | 70.8 | Confident | 69.9 | Low | 76 Ų | 76 | 45.5 Ų | 45.5 | 49% | 0.494 | 25% | 0.251 | S | S | . | . | trans | -59.4 | 156.6 | -178.7 | 21.4 | -32.4 | 0 | 0 | 0 | 112.3 | W1401 K1405 | W1401-P1403 HydrophobicContact CE3-CB 4.37Å; W1401-P1403 HydrophobicContact CH2-CB 3.88Å; W1401-P1403 HydrophobicContact CZ3-CB 3.61Å; W1401-P1403 HydrophobicContact CZ3-CG 4.45Å; P1403-K1405 PolarHBondContact O-N 3.38Å | ||
| 1404 | P | 61.7 | Low | 69.7 | Low | 64 Ų | 64 | 45.2 Ų | 45.2 | 42% | 0.416 | 25% | 0.25 | S | C | . | . | trans | -58.4 | 136.3 | 179.9 | 26.5 | -31.2 | 0 | 0 | 0 | 107.9 | S1406 D1410 | P1404-S1406 PolarHBondContact O-N 3.37Å; P1404-D1410 WeakPolarHBondContact CB-O 3.4Å | ||
| 1405 | K | 49.1 | Very low | 69.7 | Low | 77 Ų | 77 | 47.3 Ų | 47.3 | 34% | 0.335 | 26% | 0.255 | S | S | . | . | trans | -83.8 | 62 | -172.8 | -73.1 | -176.6 | 177.3 | 165.2 | 0 | 109.8 | A739 M742 L743 P1403 G1407 D1410 | A739-K1405 HydrophobicContact CB-CB 4.25Å; A739-K1405 HydrophobicContact CB-CD 3.8Å; M742-K1405 CarbonylContact C-O 3.59Å; M742-K1405 WeakPolarHBondContact CB-O 3.47Å; L743-K1405 WeakPolarHBondContact CA-O 3.36Å; L743-K1405 HydrophobicContact CB-CB 3.82Å; L743-K1405 HydrophobicContact CB-CG 4.32Å; L743-K1405 HydrophobicContact CD1-CB 4.07Å; L743-K1405 HydrophobicContact CD1-CD 3.75Å; L743-K1405 HydrophobicContact CD1-CG 3.59Å; L743-K1405 HydrophobicContact CG-CB 3.69Å; L743-K1405 HydrophobicContact CG-CD 4.36Å; L743-K1405 HydrophobicContact CG-CG 3.71Å; L743-K1405 PolarHBondContact N-O 2.85Å; P1403-K1405 PolarHBondContact O-N 3.38Å; K1405-G1407 PolarHBondContact O-N 3.19Å; K1405-D1410 HydrophobicContact CB-CB 4.27Å; K1405-D1410 VanDerWaalsContact CB-OD2 3.3Å; K1405-D1410 WeakPolarHBondContact CB-OD2 3.49Å | ||
| 1406 | S | 40 | Very low | 69.8 | Low | 20 Ų | 20 | 45 Ų | 45 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 19.3 | 57.5 | 179.7 | 67.9 | 0 | 0 | 0 | 0 | 120.3 | M742 L743 F745 A746 P1404 | M742-S1406 CarbonylContact C-O 3.58Å; M742-S1406 CarbonylContact O-C 3.57Å; M742-S1406 VanDerWaalsContact O-C 3.24Å; M742-S1406 PolarHBondContact O-OG 3.35Å; L743-S1406 WeakPolarHBondContact CA-OG 3.5Å; F745-S1406 WeakPolarHBondContact CB-O 3.47Å; A746-S1406 WeakPolarHBondContact CB-OG 3.46Å; A746-S1406 VanDerWaalsContact N-CB 3.27Å; A746-S1406 PolarHBondContact N-OG 3.02Å; P1404-S1406 PolarHBondContact O-N 3.37Å |
| 1407 | G | 41.1 | Very low | 69.6 | Low | 24 Ų | 24 | 48.2 Ų | 48.2 | 25% | 0.247 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -141.6 | 167.6 | 156 | 0 | 0 | 0 | 0 | 0 | 108.8 | K1405 N1409 D1410 | K1405-G1407 PolarHBondContact O-N 3.19Å; G1407-N1409 PolarHBondContact O-N 2.62Å; G1407-D1410 PolarHBondContact O-N 3.09Å |
| 1408 | M | 35.9 | Very low | 69.7 | Low | 142 Ų | 142 | 46.6 Ų | 46.6 | 70% | 0.7 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -1.9 | -174.8 | -61.1 | 177.5 | 74.5 | 0 | 0 | 113.9 | ||
| 1409 | N | 44.1 | Very low | 69.2 | Low | 75 Ų | 75 | 43.4 Ų | 43.4 | 40% | 0.401 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -5.7 | -176.7 | -69.9 | 10.9 | 0 | 0 | 0 | 115.5 | M742 Y952 G1407 | M742-N1409 HydrophobicContact CE-CB 4.28Å; M742-N1409 HydrophobicContact SD-CB 4.37Å; Y952-N1409 WeakPolarHBondContact CE1-ND2 3.29Å; Y952-N1409 PolarHBondContact OH-ND2 3.25Å; Y952-N1409 VanDerWaalsContact OH-ND2 3.08Å; G1407-N1409 PolarHBondContact O-N 2.62Å |
| 1410 | D | 52.7 | Low | 68.3 | Low | 43 Ų | 43 | 46.9 Ų | 46.9 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | trans | -101.8 | 114.7 | 171.8 | -95.8 | 2.1 | 0 | 0 | 0 | 109 | A739 M742 P1404 K1405 G1407 | A739-D1410 VanDerWaalsContact CA-OD2 3.3Å; A739-D1410 WeakPolarHBondContact CA-OD2 3.07Å; A739-D1410 PolarHBondContact N-OD2 2.73Å; M742-D1410 HydrophobicContact CE-CB 3.57Å; M742-D1410 VanDerWaalsContact CE-CG 3.43Å; P1404-D1410 WeakPolarHBondContact CB-O 3.4Å; K1405-D1410 HydrophobicContact CB-CB 4.27Å; K1405-D1410 VanDerWaalsContact CB-OD2 3.3Å; K1405-D1410 WeakPolarHBondContact CB-OD2 3.49Å; G1407-D1410 PolarHBondContact O-N 3.09Å | ||
| 1411 | M | 59.7 | Low | 67.3 | Low | 73 Ų | 73 | 47.6 Ų | 47.6 | 36% | 0.36 | 26% | 0.262 | S | S | . | . | trans | -78.4 | 161.3 | 169.5 | -69.7 | -176 | 176.7 | 0 | 0 | 111.4 | Y1341 H1427 | Y1341-M1411 HydrophobicContact CD2-CE 4.13Å; Y1341-M1411 HydrophobicContact CD2-SD 3.51Å; Y1341-M1411 VanDerWaalsContact CD2-SD 3.51Å; Y1341-M1411 HydrophobicContact CE2-CE 3.64Å; Y1341-M1411 HydrophobicContact CE2-SD 3.62Å; Y1341-M1411 HydrophobicContact CG-SD 4.26Å; M1411-H1427 HydrophobicContact CB-CB 4.3Å | ||
| 1412 | A | 72.6 | Confident | 66.4 | Low | 5 Ų | 5 | 45.3 Ų | 45.3 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | trans | -67.2 | 156.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | W1401 H1427 S1428 A1431 | W1401-A1412 HydrophobicContact CE3-CB 4.32Å; W1401-A1412 HydrophobicContact CZ3-CB 4.46Å; A1412-H1427 CarbonylContact O-C 3.59Å; A1412-H1427 VanDerWaalsContact O-CA 3.3Å; A1412-H1427 WeakPolarHBondContact O-CA 3.14Å; A1412-S1428 WeakPolarHBondContact CB-O 3.31Å; A1412-S1428 PolarHBondContact O-N 3.32Å; A1412-S1428 VanDerWaalsContact O-O 3.13Å; A1412-A1431 HydrophobicContact CB-CB 3.54Å | ||
| 1413 | V | 81.2 | Confident | 66.3 | Low | 22 Ų | 22 | 49 Ų | 49 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 125.6 | -173.3 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | W1401 S1402 F1426 H1427 | W1401-V1413 CarbonylContact C-O 3.55Å; W1401-V1413 VanDerWaalsContact CA-O 3.28Å; W1401-V1413 WeakPolarHBondContact CA-O 3.41Å; S1402-V1413 PolarHBondContact N-O 3.18Å; S1402-V1413 PolarHBondContact O-N 3.36Å; V1413-F1426 WeakPolarHBondContact CA-O 3.23Å; V1413-H1427 HydrophobicContact CG2-CB 4.39Å |
| 1414 | V | 85.6 | Confident | 66.9 | Low | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 145.3 | 168.6 | -169.6 | 0 | 0 | 0 | 0 | 109.2 | V1399 S1400 V1416 S1425 F1426 A1431 I1434 | V1399-V1414 HydrophobicContact CG2-CG1 4.16Å; S1400-V1414 CarbonylContact O-C 3.42Å; V1414-V1416 HydrophobicContact CG1-CG2 4.22Å; V1414-S1425 VanDerWaalsContact O-CA 3.23Å; V1414-S1425 WeakPolarHBondContact O-CA 3.34Å; V1414-S1425 WeakPolarHBondContact O-CB 3.06Å; V1414-F1426 HydrophobicContact CB-CD2 4.05Å; V1414-F1426 HydrophobicContact CB-CE1 4.24Å; V1414-F1426 HydrophobicContact CB-CE2 3.72Å; V1414-F1426 HydrophobicContact CB-CG 4.46Å; V1414-F1426 HydrophobicContact CB-CZ 3.82Å; V1414-F1426 HydrophobicContact CG1-CE1 4.2Å; V1414-F1426 HydrophobicContact CG1-CE2 4.12Å; V1414-F1426 HydrophobicContact CG1-CZ 3.75Å; V1414-F1426 HydrophobicContact CG2-CD2 4.08Å; V1414-F1426 HydrophobicContact CG2-CE2 3.66Å; V1414-F1426 HydrophobicContact CG2-CZ 4.17Å; V1414-F1426 PolarHBondContact N-O 2.81Å; V1414-F1426 PolarHBondContact O-N 2.75Å; V1414-F1426 VanDerWaalsContact O-N 3.15Å; V1414-A1431 HydrophobicContact CG2-CB 3.54Å; V1414-I1434 HydrophobicContact CG1-CG2 4.09Å; V1414-I1434 HydrophobicContact CG2-CB 3.96Å; V1414-I1434 HydrophobicContact CG2-CD1 3.94Å; V1414-I1434 HydrophobicContact CG2-CG2 3.98Å |
| 1415 | R | 86.5 | Confident | 67.8 | Low | 64 Ų | 64 | 44.6 Ų | 44.6 | 24% | 0.242 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.6 | 164.7 | -67.5 | 176.2 | 173.7 | 67.4 | 26.8 | 109.2 | V1399 S1400 S1402 E1423 Y1424 | V1399-R1415 WeakPolarHBondContact CA-O 3.48Å; V1399-R1415 WeakPolarHBondContact CG2-O 3.41Å; S1400-R1415 PolarHBondContact N-O 3.3Å; S1400-R1415 PolarHBondContact O-N 3.47Å; S1402-R1415 PolarHBondContact OG-NH1 2.8Å; R1415-E1423 WeakPolarHBondContact CD-OE1 3.25Å; R1415-E1423 HydrophobicContact CG-CG 4.36Å; R1415-E1423 WeakPolarHBondContact CG-OE1 3.5Å; R1415-E1423 IonicContact CZ-OE1 2.79Å; R1415-E1423 IonicContact NE-OE1 3.55Å; R1415-E1423 PolarHBondContact NE-OE1 3.44Å; R1415-E1423 IonicContact NH2-OE1 2.88Å; R1415-Y1424 CarbonylContact C-O 3.36Å; R1415-Y1424 WeakPolarHBondContact CA-O 3.47Å |
| 1416 | V | 86.6 | Confident | 69.3 | Low | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 117.6 | 171.3 | -170.8 | 0 | 0 | 0 | 0 | 106.5 | L1391 I1396 V1399 V1414 Y1424 F1426 | L1391-V1416 HydrophobicContact CD1-CB 4.23Å; L1391-V1416 HydrophobicContact CD1-CG1 3.74Å; I1396-V1416 HydrophobicContact CB-CG1 4.23Å; I1396-V1416 HydrophobicContact CD1-CG1 3.8Å; I1396-V1416 HydrophobicContact CG1-CG1 3.64Å; I1396-V1416 HydrophobicContact CG2-CG1 3.6Å; V1399-V1416 HydrophobicContact CG2-CG2 4.33Å; V1414-V1416 HydrophobicContact CG1-CG2 4.22Å; V1416-Y1424 PolarHBondContact N-O 3.16Å; V1416-Y1424 PolarHBondContact O-N 2.79Å; V1416-F1426 HydrophobicContact CG2-CE1 3.95Å; V1416-F1426 HydrophobicContact CG2-CZ 4.41Å |
| 1417 | E | 82.6 | Confident | 71.2 | Confident | 68 Ų | 68 | 42.2 Ų | 42.2 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 132 | 179 | -67.5 | 163.7 | -164.7 | 0 | 0 | 108.4 | T1397 N1398 D1422 | T1397-E1417 PolarHBondContact N-O 3.44Å; T1397-E1417 PolarHBondContact OG1-O 2.76Å; N1398-E1417 HydrophobicContact CB-CB 4.14Å; N1398-E1417 WeakPolarHBondContact CB-OE2 3.17Å; N1398-E1417 PolarHBondContact N-O 3.4Å; N1398-E1417 PolarHBondContact ND2-OE2 2.97Å; N1398-E1417 PolarHBondContact O-N 2.8Å; E1417-D1422 WeakPolarHBondContact CA-O 3.1Å |
| 1418 | T | 82.6 | Confident | 72.9 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 166.7 | -179 | 72.3 | 0 | 0 | 0 | 0 | 113.4 | L1391 E1395 T1397 H1420 G1421 D1422 Y1424 | L1391-T1418 HydrophobicContact CD1-CG2 4.43Å; L1391-T1418 HydrophobicContact CD2-CG2 3.88Å; E1395-T1418 CarbonylContact O-C 3.51Å; E1395-T1418 WeakPolarHBondContact O-CA 3.32Å; T1397-T1418 PolarHBondContact OG1-O 2.97Å; T1418-H1420 PolarHBondContact O-N 2.77Å; T1418-H1420 PolarHBondContact OG1-N 3.3Å; T1418-G1421 PolarHBondContact O-N 3.29Å; T1418-G1421 PolarHBondContact OG1-N 2.74Å; T1418-D1422 HydrophobicContact CG2-CB 4.25Å; T1418-D1422 PolarHBondContact N-O 3.45Å; T1418-D1422 WeakPolarHBondContact OG1-CB 3.33Å; T1418-D1422 PolarHBondContact OG1-N 3.04Å; T1418-D1422 VanDerWaalsContact OG1-N 3.08Å; T1418-D1422 PolarHBondContact OG1-OD2 2.76Å; T1418-Y1424 HydrophobicContact CG2-CD2 3.78Å; T1418-Y1424 HydrophobicContact CG2-CE2 3.66Å |
| 1419 | I | 72.6 | Confident | 74.5 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.9 | 173.3 | -159.7 | 165.8 | 0 | 0 | 0 | 112.6 | E1395 T1397 G1421 L1511 V1521 M1525 | E1395-I1419 PolarHBondContact O-N 3.25Å; T1397-I1419 HydrophobicContact CG2-CB 3.95Å; T1397-I1419 HydrophobicContact CG2-CG1 4.22Å; I1419-G1421 VanDerWaalsContact C-N 3.32Å; I1419-L1511 HydrophobicContact CD1-CD2 4.34Å; I1419-V1521 HydrophobicContact CD1-CG1 3.88Å; I1419-M1525 HydrophobicContact CD1-CG 3.71Å; I1419-M1525 HydrophobicContact CD1-SD 4.08Å; I1419-M1525 HydrophobicContact CG1-CG 3.68Å; I1419-M1525 HydrophobicContact CG1-SD 4.49Å |
| 1420 | H | 69.7 | Low | 76 | Confident | 85 Ų | 85 | 35 Ų | 35 | 39% | 0.394 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.8 | 172.7 | -48.8 | -51.9 | 0 | 0 | 0 | 113.1 | T1418 | T1418-H1420 PolarHBondContact O-N 2.77Å; T1418-H1420 PolarHBondContact OG1-N 3.3Å |
| 1421 | G | 66.8 | Low | 77.4 | Confident | 54 Ų | 54 | 33 Ų | 33 | 56% | 0.557 | 18% | 0.181 | S | C | * | . | trans | 92.9 | 13 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1418 I1419 | T1418-G1421 PolarHBondContact O-N 3.29Å; T1418-G1421 PolarHBondContact OG1-N 2.74Å; I1419-G1421 VanDerWaalsContact C-N 3.32Å | ||
| 1422 | D | 72.9 | Confident | 78.6 | Confident | 30 Ų | 30 | 34.5 Ų | 34.5 | 16% | 0.16 | 19% | 0.188 | C | C | . | . | trans | -79.1 | 131.2 | 175.3 | -54.7 | -60.7 | 0 | 0 | 0 | 110.9 | E1417 T1418 Y1424 | E1417-D1422 WeakPolarHBondContact CA-O 3.1Å; T1418-D1422 HydrophobicContact CG2-CB 4.25Å; T1418-D1422 PolarHBondContact N-O 3.45Å; T1418-D1422 WeakPolarHBondContact OG1-CB 3.33Å; T1418-D1422 PolarHBondContact OG1-N 3.04Å; T1418-D1422 VanDerWaalsContact OG1-N 3.08Å; T1418-D1422 PolarHBondContact OG1-OD2 2.76Å; D1422-Y1424 HydrophobicContact CB-CD2 4.03Å; D1422-Y1424 HydrophobicContact CB-CE2 3.5Å; D1422-Y1424 VanDerWaalsContact CB-CE2 3.5Å | ||
| 1423 | E | 78.4 | Confident | 79 | Confident | 97 Ų | 97 | 38.6 Ų | 38.6 | 45% | 0.453 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 106.2 | 166.2 | -174.7 | -170.3 | 161.8 | 0 | 0 | 109 | R1415 | R1415-E1423 WeakPolarHBondContact CD-OE1 3.25Å; R1415-E1423 HydrophobicContact CG-CG 4.36Å; R1415-E1423 WeakPolarHBondContact CG-OE1 3.5Å; R1415-E1423 IonicContact CZ-OE1 2.79Å; R1415-E1423 IonicContact NE-OE1 3.55Å; R1415-E1423 PolarHBondContact NE-OE1 3.44Å; R1415-E1423 IonicContact NH2-OE1 2.88Å |
| 1424 | Y | 82.6 | Confident | 79.3 | Confident | 28 Ų | 28 | 37.6 Ų | 37.6 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.1 | 167.7 | -68.3 | -87.5 | 0 | 0 | 0 | 109.5 | L1343 L1389 L1391 R1415 V1416 T1418 D1422 | L1343-Y1424 HydrophobicContact CD1-CD1 4.38Å; L1389-Y1424 HydrophobicContact CD1-CD1 4.3Å; L1389-Y1424 HydrophobicContact CD1-CE1 3.88Å; L1389-Y1424 HydrophobicContact CD2-CD1 3.59Å; L1389-Y1424 HydrophobicContact CD2-CE1 4.04Å; L1389-Y1424 HydrophobicContact CD2-CG 3.96Å; L1391-Y1424 HydrophobicContact CD1-CD2 3.96Å; L1391-Y1424 HydrophobicContact CD1-CE2 4.49Å; L1391-Y1424 HydrophobicContact CD1-CG 4.31Å; L1391-Y1424 HydrophobicContact CD2-CD2 4.49Å; L1391-Y1424 HydrophobicContact CD2-CE2 4.24Å; R1415-Y1424 CarbonylContact C-O 3.36Å; R1415-Y1424 WeakPolarHBondContact CA-O 3.47Å; V1416-Y1424 PolarHBondContact N-O 3.16Å; V1416-Y1424 PolarHBondContact O-N 2.79Å; T1418-Y1424 HydrophobicContact CG2-CD2 3.78Å; T1418-Y1424 HydrophobicContact CG2-CE2 3.66Å; D1422-Y1424 HydrophobicContact CB-CD2 4.03Å; D1422-Y1424 HydrophobicContact CB-CE2 3.5Å; D1422-Y1424 VanDerWaalsContact CB-CE2 3.5Å |
| 1425 | S | 81.5 | Confident | 79.4 | Confident | 20 Ų | 20 | 37.9 Ų | 37.9 | 14% | 0.14 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141 | 179.4 | 61.7 | 0 | 0 | 0 | 0 | 112.5 | L1343 A1344 V1414 | L1343-S1425 CarbonylContact C-O 3.6Å; L1343-S1425 WeakPolarHBondContact CA-O 3.35Å; A1344-S1425 PolarHBondContact N-O 2.74Å; A1344-S1425 PolarHBondContact O-N 3.5Å; A1344-S1425 PolarHBondContact O-OG 3.42Å; V1414-S1425 VanDerWaalsContact O-CA 3.23Å; V1414-S1425 WeakPolarHBondContact O-CA 3.34Å; V1414-S1425 WeakPolarHBondContact O-CB 3.06Å |
| 1426 | F | 79.9 | Confident | 79.5 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 149.9 | 178 | 50.6 | -88.1 | 0 | 0 | 0 | 110.8 | A1340 L1343 A1371 V1378 V1413 V1414 V1416 I1434 | A1340-F1426 HydrophobicContact CB-CD2 4.03Å; L1343-F1426 HydrophobicContact CD1-CB 4.43Å; L1343-F1426 HydrophobicContact CD1-CD1 4.12Å; A1371-F1426 HydrophobicContact CB-CD2 4.3Å; A1371-F1426 HydrophobicContact CB-CE2 3.71Å; A1371-F1426 HydrophobicContact CB-CZ 4.29Å; V1378-F1426 HydrophobicContact CG1-CZ 4.49Å; V1413-F1426 WeakPolarHBondContact CA-O 3.23Å; V1414-F1426 HydrophobicContact CB-CD2 4.05Å; V1414-F1426 HydrophobicContact CB-CE1 4.24Å; V1414-F1426 HydrophobicContact CB-CE2 3.72Å; V1414-F1426 HydrophobicContact CB-CG 4.46Å; V1414-F1426 HydrophobicContact CB-CZ 3.82Å; V1414-F1426 HydrophobicContact CG1-CE1 4.2Å; V1414-F1426 HydrophobicContact CG1-CE2 4.12Å; V1414-F1426 HydrophobicContact CG1-CZ 3.75Å; V1414-F1426 HydrophobicContact CG2-CD2 4.08Å; V1414-F1426 HydrophobicContact CG2-CE2 3.66Å; V1414-F1426 HydrophobicContact CG2-CZ 4.17Å; V1414-F1426 PolarHBondContact N-O 2.81Å; V1414-F1426 PolarHBondContact O-N 2.75Å; V1414-F1426 VanDerWaalsContact O-N 3.15Å; V1416-F1426 HydrophobicContact CG2-CE1 3.95Å; V1416-F1426 HydrophobicContact CG2-CZ 4.41Å; F1426-I1434 HydrophobicContact CE2-CD1 4.1Å; F1426-I1434 HydrophobicContact CE2-CG2 4.2Å; F1426-I1434 HydrophobicContact CZ-CG2 4.22Å |
| 1427 | H | 79 | Confident | 79.7 | Confident | 45 Ų | 45 | 38.5 Ų | 38.5 | 21% | 0.208 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.4 | -173.1 | -46.3 | 57.4 | 0 | 0 | 0 | 107.7 | A1340 Y1341 K1342 M1411 A1412 V1413 | A1340-H1427 CarbonylContact C-O 3.54Å; A1340-H1427 VanDerWaalsContact CA-O 3.26Å; A1340-H1427 WeakPolarHBondContact CA-O 3.27Å; Y1341-H1427 PolarHBondContact N-O 3.11Å; Y1341-H1427 WeakPolarHBondContact O-CB 3.2Å; Y1341-H1427 PolarHBondContact O-N 3.04Å; Y1341-H1427 PolarHBondContact O-ND1 3.4Å; Y1341-H1427 VanDerWaalsContact O-ND1 3.14Å; K1342-H1427 PolarHBondContact NZ-CE1 2.84Å; K1342-H1427 VanDerWaalsContact NZ-CE1 3.32Å; K1342-H1427 PolarHBondContact NZ-NE2 3.32Å; K1342-H1427 PolarHBondContact O-ND1 3.29Å; M1411-H1427 HydrophobicContact CB-CB 4.3Å; A1412-H1427 CarbonylContact O-C 3.59Å; A1412-H1427 VanDerWaalsContact O-CA 3.3Å; A1412-H1427 WeakPolarHBondContact O-CA 3.14Å; V1413-H1427 HydrophobicContact CG2-CB 4.39Å |
| 1428 | S | 76.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -150.7 | 141.2 | 179.6 | 177 | 0 | 0 | 0 | 0 | 110 | E1339 A1412 A1430 A1431 | E1339-S1428 WeakPolarHBondContact O-CB 3.43Å; E1339-S1428 PolarHBondContact O-OG 3.36Å; A1412-S1428 WeakPolarHBondContact CB-O 3.31Å; A1412-S1428 PolarHBondContact O-N 3.32Å; A1412-S1428 VanDerWaalsContact O-O 3.13Å; S1428-A1430 PolarHBondContact O-N 3.14Å; S1428-A1430 PolarHBondContact OG-N 2.97Å; S1428-A1431 PolarHBondContact O-N 2.64Å | ||
| 1429 | P | 69.3 | Low | 80.5 | Confident | 67 Ų | 67 | 37 Ų | 37 | 44% | 0.435 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.7 | 167.3 | 26.6 | -34 | 0 | 0 | 0 | 112.6 | E1339 | E1339-P1429 HydrophobicContact CB-CG 4.49Å; E1339-P1429 WeakPolarHBondContact OE2-CG 3.49Å |
| 1430 | A | 76.7 | Confident | 81.3 | Confident | 23 Ų | 23 | 41.5 Ų | 41.5 | 19% | 0.19 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 23.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1338 S1428 E1432 E1433 I1434 | F1338-A1430 HydrophobicContact CD1-CB 3.72Å; F1338-A1430 HydrophobicContact CE1-CB 4.34Å; S1428-A1430 PolarHBondContact O-N 3.14Å; S1428-A1430 PolarHBondContact OG-N 2.97Å; A1430-E1432 PolarHBondContact O-N 3.06Å; A1430-E1432 VanDerWaalsContact O-N 3.11Å; A1430-E1433 PolarHBondContact O-N 2.77Å; A1430-I1434 WeakPolarHBondContact O-CG1 3.44Å; A1430-I1434 PolarHBondContact O-N 2.67Å; A1430-I1434 VanDerWaalsContact O-N 3.13Å |
| 1431 | A | 82.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.2 | -30 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | W1401 A1412 V1414 S1428 A1435 | W1401-A1431 HydrophobicContact CB-CB 4.29Å; W1401-A1431 WeakPolarHBondContact CB-O 3.23Å; A1412-A1431 HydrophobicContact CB-CB 3.54Å; V1414-A1431 HydrophobicContact CG2-CB 3.54Å; S1428-A1431 PolarHBondContact O-N 2.64Å; A1431-A1435 WeakPolarHBondContact O-CB 3.22Å; A1431-A1435 PolarHBondContact O-N 2.6Å; A1431-A1435 VanDerWaalsContact O-N 3.13Å |
| 1432 | E | 83.9 | Confident | 83.5 | Confident | 105 Ų | 105 | 35.1 Ų | 35.1 | 49% | 0.491 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.1 | -51.9 | 173.8 | -177.3 | 160.2 | -153.3 | 0 | 0 | 111.2 | W1401 A1430 I1434 A1435 C1436 | W1401-E1432 HydrophobicContact CD2-CB 3.78Å; W1401-E1432 HydrophobicContact CD2-CG 4.24Å; W1401-E1432 HydrophobicContact CE3-CB 3.86Å; W1401-E1432 HydrophobicContact CG-CB 4.44Å; W1401-E1432 HydrophobicContact CH2-CB 3.81Å; W1401-E1432 VanDerWaalsContact CH2-CD 3.44Å; W1401-E1432 HydrophobicContact CH2-CG 3.97Å; W1401-E1432 VanDerWaalsContact CH2-OE2 3.27Å; W1401-E1432 WeakPolarHBondContact CH2-OE2 3.39Å; W1401-E1432 HydrophobicContact CZ2-CB 3.77Å; W1401-E1432 HydrophobicContact CZ2-CG 3.53Å; W1401-E1432 WeakPolarHBondContact CZ2-OE1 3.4Å; W1401-E1432 HydrophobicContact CZ3-CB 3.83Å; W1401-E1432 HydrophobicContact CZ3-CG 4.48Å; A1430-E1432 PolarHBondContact O-N 3.06Å; A1430-E1432 VanDerWaalsContact O-N 3.11Å; E1432-I1434 VanDerWaalsContact C-N 3.34Å; E1432-I1434 PolarHBondContact O-N 3.13Å; E1432-A1435 PolarHBondContact O-N 3.04Å; E1432-C1436 WeakPolarHBondContact O-CB 3.39Å; E1432-C1436 PolarHBondContact O-N 2.64Å; E1432-C1436 PolarHBondContact O-SG 2.79Å; E1432-C1436 VanDerWaalsContact O-SG 3.38Å |
| 1433 | E | 82.4 | Confident | 84.3 | Confident | 91 Ų | 91 | 37.1 Ų | 37.1 | 43% | 0.425 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.9 | -41 | 178.5 | -67.8 | -172.2 | -140.3 | 0 | 0 | 112.5 | K1336 F1338 A1430 C1436 L1437 | K1336-E1433 IonicContact NZ-OE2 3.95Å; K1336-E1433 PolarHBondContact NZ-OE2 3.43Å; F1338-E1433 HydrophobicContact CE1-CB 3.7Å; F1338-E1433 HydrophobicContact CZ-CB 4.29Å; A1430-E1433 PolarHBondContact O-N 2.77Å; E1433-C1436 PolarHBondContact O-N 2.88Å; E1433-L1437 WeakPolarHBondContact O-CB 3.3Å; E1433-L1437 PolarHBondContact O-N 3.48Å |
| 1434 | I | 87.7 | Confident | 84.9 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -50.9 | 177.8 | -61.4 | 167.3 | 0 | 0 | 0 | 110.2 | F1338 A1371 V1373 V1414 F1426 A1430 E1432 L1437 V1438 | F1338-I1434 HydrophobicContact CB-CD1 3.58Å; F1338-I1434 HydrophobicContact CB-CG1 3.82Å; F1338-I1434 HydrophobicContact CD1-CD1 4.2Å; F1338-I1434 HydrophobicContact CD1-CG1 3.6Å; F1338-I1434 HydrophobicContact CD2-CD1 4.28Å; F1338-I1434 HydrophobicContact CD2-CG1 3.61Å; F1338-I1434 HydrophobicContact CE1-CG1 3.9Å; F1338-I1434 HydrophobicContact CE2-CG1 3.92Å; F1338-I1434 HydrophobicContact CG-CD1 3.8Å; F1338-I1434 HydrophobicContact CG-CG1 3.41Å; F1338-I1434 VanDerWaalsContact CG-CG1 3.41Å; F1338-I1434 HydrophobicContact CZ-CG1 4.03Å; A1371-I1434 HydrophobicContact CB-CD1 4.45Å; V1373-I1434 HydrophobicContact CG2-CG2 4.24Å; V1414-I1434 HydrophobicContact CG1-CG2 4.09Å; V1414-I1434 HydrophobicContact CG2-CB 3.96Å; V1414-I1434 HydrophobicContact CG2-CD1 3.94Å; V1414-I1434 HydrophobicContact CG2-CG2 3.98Å; F1426-I1434 HydrophobicContact CE2-CD1 4.1Å; F1426-I1434 HydrophobicContact CE2-CG2 4.2Å; F1426-I1434 HydrophobicContact CZ-CG2 4.22Å; A1430-I1434 WeakPolarHBondContact O-CG1 3.44Å; A1430-I1434 PolarHBondContact O-N 2.67Å; A1430-I1434 VanDerWaalsContact O-N 3.13Å; E1432-I1434 VanDerWaalsContact C-N 3.34Å; E1432-I1434 PolarHBondContact O-N 3.13Å; I1434-L1437 PolarHBondContact O-N 3.28Å; I1434-V1438 WeakPolarHBondContact O-CB 3.48Å; I1434-V1438 VanDerWaalsContact O-CG2 3.31Å; I1434-V1438 WeakPolarHBondContact O-CG2 3.44Å; I1434-V1438 PolarHBondContact O-N 2.83Å |
| 1435 | A | 87.8 | Confident | 85.3 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.1 | -39.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1399 W1401 A1431 E1432 S1439 | V1399-A1435 WeakPolarHBondContact CG1-O 3.43Å; V1399-A1435 HydrophobicContact CG2-CB 4.05Å; W1401-A1435 HydrophobicContact CB-CB 3.78Å; W1401-A1435 HydrophobicContact CG-CB 4.19Å; A1431-A1435 WeakPolarHBondContact O-CB 3.22Å; A1431-A1435 PolarHBondContact O-N 2.6Å; A1431-A1435 VanDerWaalsContact O-N 3.13Å; E1432-A1435 PolarHBondContact O-N 3.04Å; A1435-S1439 WeakPolarHBondContact O-CB 3.37Å; A1435-S1439 PolarHBondContact O-N 3.32Å |
| 1436 | C | 88.5 | Confident | 85.7 | Confident | 59 Ų | 59 | 33.5 Ų | 33.5 | 40% | 0.399 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.9 | -44 | 175 | -74.2 | 0 | 0 | 0 | 0 | 112.2 | E1432 E1433 S1439 N1440 | E1432-C1436 WeakPolarHBondContact O-CB 3.39Å; E1432-C1436 PolarHBondContact O-N 2.64Å; E1432-C1436 PolarHBondContact O-SG 2.79Å; E1432-C1436 VanDerWaalsContact O-SG 3.38Å; E1433-C1436 PolarHBondContact O-N 2.88Å; C1436-S1439 PolarHBondContact O-N 2.86Å; C1436-N1440 WeakPolarHBondContact O-CB 3.25Å; C1436-N1440 PolarHBondContact O-N 2.79Å; C1436-N1440 PolarHBondContact O-ND2 3.12Å |
| 1437 | L | 89.5 | Confident | 86.2 | Confident | 21 Ų | 21 | 35.5 Ų | 35.5 | 11% | 0.11 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.4 | -50 | 178.1 | 178.8 | 59.9 | 0 | 0 | 0 | 111.7 | F1151 I1204 K1336 F1338 V1373 E1433 I1434 S1439 N1440 F1441 | F1151-L1437 HydrophobicContact CZ-CD1 3.79Å; I1204-L1437 HydrophobicContact CD1-CD1 4.41Å; I1204-L1437 HydrophobicContact CD1-CD2 3.98Å; K1336-L1437 HydrophobicContact CB-CD2 4.26Å; F1338-L1437 HydrophobicContact CE2-CD2 3.92Å; F1338-L1437 HydrophobicContact CZ-CD2 3.93Å; V1373-L1437 HydrophobicContact CB-CD2 3.84Å; V1373-L1437 HydrophobicContact CG1-CD2 3.73Å; V1373-L1437 HydrophobicContact CG1-CG 3.95Å; V1373-L1437 HydrophobicContact CG2-CD2 4.47Å; E1433-L1437 WeakPolarHBondContact O-CB 3.3Å; E1433-L1437 PolarHBondContact O-N 3.48Å; I1434-L1437 PolarHBondContact O-N 3.28Å; L1437-S1439 PolarHBondContact O-N 2.9Å; L1437-N1440 PolarHBondContact O-N 2.9Å; L1437-F1441 HydrophobicContact CD1-CD2 4.46Å; L1437-F1441 HydrophobicContact CD1-CE1 4.11Å; L1437-F1441 HydrophobicContact CD1-CE2 3.95Å; L1437-F1441 HydrophobicContact CD1-CZ 3.77Å; L1437-F1441 HydrophobicContact CG-CE2 4.25Å; L1437-F1441 PolarHBondContact O-N 2.83Å |
| 1438 | V | 91.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 178.6 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | V1373 V1378 F1393 I1396 V1399 I1434 F1441 L1442 | V1373-V1438 HydrophobicContact CG1-CG2 3.79Å; V1373-V1438 HydrophobicContact CG2-CG2 4.04Å; V1378-V1438 HydrophobicContact CG2-CG1 4.2Å; V1378-V1438 HydrophobicContact CG2-CG2 3.51Å; F1393-V1438 HydrophobicContact CE1-CG1 4.25Å; I1396-V1438 HydrophobicContact CD1-CG1 4.42Å; V1399-V1438 HydrophobicContact CB-CB 4.42Å; V1399-V1438 HydrophobicContact CB-CG1 3.94Å; V1399-V1438 HydrophobicContact CG1-CB 4.03Å; V1399-V1438 HydrophobicContact CG1-CG1 3.81Å; V1399-V1438 HydrophobicContact CG2-CB 4.21Å; V1399-V1438 HydrophobicContact CG2-CG1 4.09Å; I1434-V1438 WeakPolarHBondContact O-CB 3.48Å; I1434-V1438 VanDerWaalsContact O-CG2 3.31Å; I1434-V1438 WeakPolarHBondContact O-CG2 3.44Å; I1434-V1438 PolarHBondContact O-N 2.83Å; V1438-F1441 PolarHBondContact O-N 3.34Å; V1438-L1442 HydrophobicContact CG1-CD1 3.96Å; V1438-L1442 HydrophobicContact CG1-CG 4.39Å; V1438-L1442 WeakPolarHBondContact O-CB 3.26Å; V1438-L1442 WeakPolarHBondContact O-CG 3.26Å; V1438-L1442 PolarHBondContact O-N 3.01Å |
| 1439 | S | 90.1 | Very high | 87.5 | Confident | 40 Ų | 40 | 38.6 Ų | 38.6 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.9 | -41.9 | 176.4 | -166.6 | 0 | 0 | 0 | 0 | 112 | A1435 C1436 L1437 F1441 L1442 N1443 | A1435-S1439 WeakPolarHBondContact O-CB 3.37Å; A1435-S1439 PolarHBondContact O-N 3.32Å; C1436-S1439 PolarHBondContact O-N 2.86Å; L1437-S1439 PolarHBondContact O-N 2.9Å; S1439-F1441 VanDerWaalsContact C-N 3.33Å; S1439-F1441 PolarHBondContact O-N 3.39Å; S1439-L1442 PolarHBondContact O-N 3.42Å; S1439-N1443 WeakPolarHBondContact O-CB 3.28Å; S1439-N1443 PolarHBondContact O-N 3.43Å; S1439-N1443 PolarHBondContact O-ND2 3.17Å; S1439-N1443 VanDerWaalsContact O-ND2 3.09Å; S1439-N1443 PolarHBondContact OG-ND2 3.48Å |
| 1440 | N | 89.2 | Confident | 88.6 | Confident | 99 Ų | 99 | 39 Ų | 39 | 53% | 0.529 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61 | -41.1 | 175.4 | -73.5 | -20.6 | 0 | 0 | 0 | 111.9 | C1436 L1437 G1444 | C1436-N1440 WeakPolarHBondContact O-CB 3.25Å; C1436-N1440 PolarHBondContact O-N 2.79Å; C1436-N1440 PolarHBondContact O-ND2 3.12Å; L1437-N1440 PolarHBondContact O-N 2.9Å; N1440-G1444 PolarHBondContact O-N 3.29Å |
| 1441 | F | 93.8 | Very high | 89.2 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.6 | -46.2 | 174.7 | -72.1 | -13.6 | 0 | 0 | 0 | 112.8 | F1151 I1204 T1206 P1207 W1208 V1373 N1374 F1393 L1437 V1438 S1439 N1443 G1444 L1445 | F1151-F1441 AromaticContact CE1-CE1 3.6Å; F1151-F1441 HydrophobicContact CE1-CE1 3.6Å; F1151-F1441 AromaticContact CE1-CZ 3.7Å; F1151-F1441 HydrophobicContact CE1-CZ 3.7Å; F1151-F1441 HydrophobicContact CE2-CE1 4.43Å; F1151-F1441 AromaticContact CZ-CE1 3.45Å; F1151-F1441 HydrophobicContact CZ-CE1 3.45Å; F1151-F1441 VanDerWaalsContact CZ-CE1 3.45Å; F1151-F1441 AromaticContact CZ-CZ 3.76Å; F1151-F1441 HydrophobicContact CZ-CZ 3.76Å; I1204-F1441 HydrophobicContact CD1-CE2 3.79Å; I1204-F1441 HydrophobicContact CD1-CZ 3.83Å; I1204-F1441 HydrophobicContact CG1-CE2 4.5Å; I1204-F1441 HydrophobicContact CG1-CZ 4.27Å; T1206-F1441 HydrophobicContact CG2-CE1 4.15Å; P1207-F1441 HydrophobicContact CG-CB 4.07Å; P1207-F1441 HydrophobicContact CG-CD1 4.24Å; P1207-F1441 HydrophobicContact CG-CD2 4.25Å; P1207-F1441 HydrophobicContact CG-CG 3.96Å; W1208-F1441 HydrophobicContact CH2-CD1 4.08Å; W1208-F1441 HydrophobicContact CZ3-CD1 4.43Å; V1373-F1441 HydrophobicContact CG1-CD2 4.39Å; V1373-F1441 HydrophobicContact CG1-CE2 4.28Å; N1374-F1441 WeakPolarHBondContact O-CE2 3.4Å; F1393-F1441 HydrophobicContact CD1-CB 4.47Å; F1393-F1441 HydrophobicContact CE1-CB 4Å; F1393-F1441 HydrophobicContact CE1-CD2 4.17Å; F1393-F1441 HydrophobicContact CE2-CB 4.49Å; F1393-F1441 HydrophobicContact CE2-CD2 4.15Å; F1393-F1441 HydrophobicContact CZ-CB 4.05Å; F1393-F1441 AromaticContact CZ-CD2 3.55Å; F1393-F1441 HydrophobicContact CZ-CD2 3.55Å; F1393-F1441 HydrophobicContact CZ-CE2 4.43Å; F1393-F1441 HydrophobicContact CZ-CG 4.28Å; L1437-F1441 HydrophobicContact CD1-CD2 4.46Å; L1437-F1441 HydrophobicContact CD1-CE1 4.11Å; L1437-F1441 HydrophobicContact CD1-CE2 3.95Å; L1437-F1441 HydrophobicContact CD1-CZ 3.77Å; L1437-F1441 HydrophobicContact CG-CE2 4.25Å; L1437-F1441 PolarHBondContact O-N 2.83Å; V1438-F1441 PolarHBondContact O-N 3.34Å; S1439-F1441 VanDerWaalsContact C-N 3.33Å; S1439-F1441 PolarHBondContact O-N 3.39Å; F1441-N1443 PolarHBondContact O-N 3.12Å; F1441-G1444 PolarHBondContact O-N 3.25Å; F1441-L1445 VanDerWaalsContact O-CB 3.28Å; F1441-L1445 WeakPolarHBondContact O-CB 3.39Å; F1441-L1445 WeakPolarHBondContact O-CG 3.45Å; F1441-L1445 PolarHBondContact O-N 2.86Å |
| 1442 | L | 90.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 176.3 | -73.9 | 168.6 | 0 | 0 | 0 | 112.2 | F1393 I1396 V1399 V1438 S1439 L1445 R1446 P1512 | F1393-L1442 HydrophobicContact CB-CD2 4.15Å; F1393-L1442 HydrophobicContact CD1-CD2 4.04Å; F1393-L1442 HydrophobicContact CD1-CG 4.25Å; F1393-L1442 WeakPolarHBondContact O-CD2 3.33Å; I1396-L1442 HydrophobicContact CB-CD1 4.45Å; I1396-L1442 HydrophobicContact CB-CD2 4.2Å; I1396-L1442 HydrophobicContact CG2-CD1 3.74Å; I1396-L1442 HydrophobicContact CG2-CD2 4.37Å; V1399-L1442 HydrophobicContact CG1-CD1 4.2Å; V1438-L1442 HydrophobicContact CG1-CD1 3.96Å; V1438-L1442 HydrophobicContact CG1-CG 4.39Å; V1438-L1442 WeakPolarHBondContact O-CB 3.26Å; V1438-L1442 WeakPolarHBondContact O-CG 3.26Å; V1438-L1442 PolarHBondContact O-N 3.01Å; S1439-L1442 PolarHBondContact O-N 3.42Å; L1442-L1445 PolarHBondContact O-N 2.92Å; L1442-R1446 WeakPolarHBondContact O-CB 3.44Å; L1442-R1446 VanDerWaalsContact O-CG 3.32Å; L1442-R1446 WeakPolarHBondContact O-CG 3.33Å; L1442-R1446 PolarHBondContact O-N 3.29Å; L1442-P1512 HydrophobicContact CD2-CB 3.97Å; L1442-P1512 HydrophobicContact CD2-CG 3.86Å |
| 1443 | N | 89.2 | Confident | 89.7 | Confident | 72 Ų | 72 | 34 Ų | 34 | 39% | 0.385 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -69.7 | -43.6 | -179.9 | -66.4 | -30.5 | 0 | 0 | 0 | 111.4 | S1439 F1441 L1445 R1446 V1447 | S1439-N1443 WeakPolarHBondContact O-CB 3.28Å; S1439-N1443 PolarHBondContact O-N 3.43Å; S1439-N1443 PolarHBondContact O-ND2 3.17Å; S1439-N1443 VanDerWaalsContact O-ND2 3.09Å; S1439-N1443 PolarHBondContact OG-ND2 3.48Å; F1441-N1443 PolarHBondContact O-N 3.12Å; N1443-L1445 VanDerWaalsContact C-N 3.29Å; N1443-L1445 PolarHBondContact O-N 2.61Å; N1443-R1446 PolarHBondContact O-N 2.89Å; N1443-V1447 VanDerWaalsContact O-CG2 3.31Å; N1443-V1447 WeakPolarHBondContact O-CG2 3.47Å; N1443-V1447 PolarHBondContact O-N 3.08Å |
| 1444 | G | 89.8 | Confident | 89.8 | Confident | 11 Ų | 11 | 29.8 Ų | 29.8 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.2 | -29.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | W1208 N1440 F1441 R1448 | W1208-G1444 VanDerWaalsContact CZ3-C 3.45Å; N1440-G1444 PolarHBondContact O-N 3.29Å; F1441-G1444 PolarHBondContact O-N 3.25Å; G1444-R1448 WeakPolarHBondContact O-CD 3.37Å; G1444-R1448 WeakPolarHBondContact O-CG 3.38Å; G1444-R1448 PolarHBondContact O-NH1 3.09Å |
| 1445 | L | 91.6 | Very high | 89.4 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.9 | -48.4 | 170 | -81.9 | 167.1 | 0 | 0 | 0 | 112.1 | P1207 W1208 F1393 F1441 L1442 N1443 V1447 R1448 S1449 P1512 L1514 | P1207-L1445 HydrophobicContact CB-CD1 3.85Å; P1207-L1445 HydrophobicContact CB-CD2 3.72Å; P1207-L1445 HydrophobicContact CB-CG 3.86Å; P1207-L1445 HydrophobicContact CG-CD1 3.89Å; P1207-L1445 HydrophobicContact CG-CG 4.18Å; W1208-L1445 HydrophobicContact CE3-CD2 4.49Å; W1208-L1445 HydrophobicContact CE3-CG 4.25Å; W1208-L1445 HydrophobicContact CZ3-CG 4.27Å; F1393-L1445 HydrophobicContact CB-CD1 3.59Å; F1393-L1445 HydrophobicContact CD2-CD1 3.78Å; F1393-L1445 HydrophobicContact CG-CD1 3.74Å; F1441-L1445 VanDerWaalsContact O-CB 3.28Å; F1441-L1445 WeakPolarHBondContact O-CB 3.39Å; F1441-L1445 WeakPolarHBondContact O-CG 3.45Å; F1441-L1445 PolarHBondContact O-N 2.86Å; L1442-L1445 PolarHBondContact O-N 2.92Å; N1443-L1445 VanDerWaalsContact C-N 3.29Å; N1443-L1445 PolarHBondContact O-N 2.61Å; L1445-V1447 PolarHBondContact O-N 3.27Å; L1445-R1448 CarbonylContact O-C 3.51Å; L1445-R1448 PolarHBondContact O-N 2.82Å; L1445-R1448 VanDerWaalsContact O-N 3.16Å; L1445-S1449 PolarHBondContact O-N 2.95Å; L1445-P1512 HydrophobicContact CB-CB 3.82Å; L1445-P1512 HydrophobicContact CD1-CB 4.42Å; L1445-L1514 HydrophobicContact CD2-CD1 4.32Å; L1445-L1514 HydrophobicContact CD2-CD2 4.18Å; L1445-L1514 HydrophobicContact CD2-CG 3.81Å |
| 1446 | R | 89.7 | Confident | 89 | Confident | 50 Ų | 50 | 35.1 Ų | 35.1 | 19% | 0.189 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.2 | -53.4 | 177.8 | -80.9 | 173.1 | 174.6 | 145.8 | -0.3 | 111.5 | T1397 L1442 N1443 R1448 S1449 A1481 Y1509 V1510 P1512 | T1397-R1446 PolarHBondContact O-NH2 3.31Å; L1442-R1446 WeakPolarHBondContact O-CB 3.44Å; L1442-R1446 VanDerWaalsContact O-CG 3.32Å; L1442-R1446 WeakPolarHBondContact O-CG 3.33Å; L1442-R1446 PolarHBondContact O-N 3.29Å; N1443-R1446 PolarHBondContact O-N 2.89Å; R1446-R1448 PolarHBondContact O-N 2.84Å; R1446-S1449 VanDerWaalsContact O-CB 3.3Å; R1446-S1449 WeakPolarHBondContact O-CB 3.34Å; R1446-S1449 PolarHBondContact O-N 3.29Å; R1446-A1481 WeakPolarHBondContact O-CB 3.2Å; R1446-Y1509 PolarHBondContact NH2-OH 2.93Å; R1446-V1510 HydrophobicContact CB-CB 4.42Å; R1446-V1510 HydrophobicContact CB-CG1 4.31Å; R1446-V1510 HydrophobicContact CG-CB 4.24Å; R1446-V1510 HydrophobicContact CG-CG1 4.36Å; R1446-P1512 HydrophobicContact CG-CB 4.11Å |
| 1447 | V | 90.6 | Very high | 88.6 | Confident | 44 Ų | 44 | 37.1 Ų | 37.1 | 27% | 0.267 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.7 | -35.3 | -179.3 | 171.9 | 0 | 0 | 0 | 0 | 112.2 | N1443 L1445 T1480 E1482 | N1443-V1447 VanDerWaalsContact O-CG2 3.31Å; N1443-V1447 WeakPolarHBondContact O-CG2 3.47Å; N1443-V1447 PolarHBondContact O-N 3.08Å; L1445-V1447 PolarHBondContact O-N 3.27Å; V1447-T1480 WeakPolarHBondContact O-CB 3.4Å; V1447-T1480 PolarHBondContact O-OG1 2.89Å; V1447-E1482 HydrophobicContact CG1-CB 3.68Å; V1447-E1482 HydrophobicContact CG1-CG 3.76Å; V1447-E1482 WeakPolarHBondContact CG1-OE2 3.33Å; V1447-E1482 WeakPolarHBondContact O-CB 3.44Å; V1447-E1482 PolarHBondContact O-N 3.05Å; V1447-E1482 VanDerWaalsContact O-N 3.09Å |
| 1448 | R | 91.7 | Very high | 88 | Confident | 110 Ų | 110 | 38.5 Ų | 38.5 | 42% | 0.415 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -88.3 | -8.8 | 179.1 | -69.2 | 173 | 178.9 | 70.3 | 5.9 | 114.5 | G1444 L1445 R1446 L1514 | G1444-R1448 WeakPolarHBondContact O-CD 3.37Å; G1444-R1448 WeakPolarHBondContact O-CG 3.38Å; G1444-R1448 PolarHBondContact O-NH1 3.09Å; L1445-R1448 CarbonylContact O-C 3.51Å; L1445-R1448 PolarHBondContact O-N 2.82Å; L1445-R1448 VanDerWaalsContact O-N 3.16Å; R1446-R1448 PolarHBondContact O-N 2.84Å; R1448-L1514 HydrophobicContact CB-CD2 3.59Å |
| 1449 | S | 91.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -70 | 150.2 | -173.7 | -176.5 | 0 | 0 | 0 | 0 | 112.6 | L1445 R1446 F1451 T1480 A1481 L1511 T1513 | L1445-S1449 PolarHBondContact O-N 2.95Å; R1446-S1449 VanDerWaalsContact O-CB 3.3Å; R1446-S1449 WeakPolarHBondContact O-CB 3.34Å; R1446-S1449 PolarHBondContact O-N 3.29Å; S1449-F1451 PolarHBondContact OG-N 3.29Å; S1449-F1451 PolarHBondContact OG-O 3.23Å; S1449-T1480 CarbonylContact O-C 3.59Å; S1449-T1480 WeakPolarHBondContact O-CA 3.31Å; S1449-A1481 PolarHBondContact O-N 3.05Å; S1449-L1511 WeakPolarHBondContact CB-O 3.07Å; S1449-L1511 PolarHBondContact OG-O 3.5Å; S1449-T1513 WeakPolarHBondContact CA-O 3.42Å; S1449-T1513 WeakPolarHBondContact CB-O 3.27Å; S1449-T1513 PolarHBondContact OG-O 2.9Å; S1449-T1513 VanDerWaalsContact OG-O 3.1Å | ||
| 1450 | R | 91.6 | Very high | 85.7 | Confident | 76 Ų | 76 | 46.6 Ų | 46.6 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | trans | -109.9 | -2.6 | 165.7 | -67.5 | -171.2 | 175.9 | 165.1 | 5.4 | 113.2 | K1474 L1475 D1477 L1479 | R1450-K1474 CarbonylContact O-C 3.5Å; R1450-K1474 WeakPolarHBondContact O-CA 3.39Å; R1450-L1475 HydrophobicContact CB-CB 4.3Å; R1450-L1475 HydrophobicContact CG-CB 4.5Å; R1450-L1475 PolarHBondContact O-N 3.31Å; R1450-D1477 IonicContact CZ-OD1 3.65Å; R1450-D1477 VanDerWaalsContact NH1-CA 3.32Å; R1450-D1477 PolarHBondContact NH1-O 3.08Å; R1450-D1477 IonicContact NH1-OD1 2.73Å; R1450-D1477 PolarHBondContact NH1-OD1 3.38Å; R1450-D1477 PolarHBondContact NH2-O 3.05Å; R1450-L1479 PolarHBondContact NE-O 3.18Å | ||
| 1451 | F | 90.8 | Very high | 84.2 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 10% | 0.101 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.4 | -170.3 | -60.6 | -78.8 | 0 | 0 | 0 | 110.6 | S1449 L1472 K1474 L1511 T1513 S1515 K1516 | S1449-F1451 PolarHBondContact OG-N 3.29Å; S1449-F1451 PolarHBondContact OG-O 3.23Å; F1451-L1472 HydrophobicContact CB-CD1 4.46Å; F1451-K1474 HydrophobicContact CE1-CG 4.13Å; F1451-L1511 HydrophobicContact CB-CB 4.44Å; F1451-L1511 HydrophobicContact CB-CD1 4.25Å; F1451-L1511 WeakPolarHBondContact O-CB 3.09Å; F1451-L1511 PolarHBondContact O-N 2.95Å; F1451-T1513 HydrophobicContact CB-CG2 3.93Å; F1451-T1513 HydrophobicContact CD2-CG2 3.91Å; F1451-T1513 HydrophobicContact CG-CG2 4.22Å; F1451-S1515 VanDerWaalsContact CE2-C 3.42Å; F1451-K1516 HydrophobicContact CE1-CB 3.9Å; F1451-K1516 HydrophobicContact CE1-CG 4.11Å; F1451-K1516 HydrophobicContact CZ-CB 3.92Å |
| 1452 | L | 89.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 156.5 | -172.6 | -52.4 | 171.5 | 0 | 0 | 0 | 109.9 | L1473 L1475 A1481 L1484 I1503 V1508 Y1509 V1510 | L1452-L1473 HydrophobicContact CB-CB 4.25Å; L1452-L1473 PolarHBondContact N-O 3.39Å; L1452-L1473 PolarHBondContact O-N 3.06Å; L1452-L1475 HydrophobicContact CD1-CD1 4.21Å; L1452-L1475 HydrophobicContact CD1-CD2 3.85Å; L1452-L1475 HydrophobicContact CD1-CG 3.82Å; L1452-L1475 HydrophobicContact CG-CG 4.44Å; L1452-A1481 HydrophobicContact CD2-CB 4.49Å; L1452-L1484 HydrophobicContact CD1-CD2 3.77Å; L1452-L1484 HydrophobicContact CD2-CD2 4.24Å; L1452-I1503 HydrophobicContact CD1-CD1 3.31Å; L1452-V1508 HydrophobicContact CB-CB 4.47Å; L1452-V1508 HydrophobicContact CD1-CG2 4.34Å; L1452-Y1509 VanDerWaalsContact CA-O 3.28Å; L1452-Y1509 WeakPolarHBondContact CA-O 3.49Å; L1452-V1510 HydrophobicContact CD2-CB 4.08Å; L1452-V1510 HydrophobicContact CD2-CG1 3.8Å; L1452-V1510 HydrophobicContact CD2-CG2 3.72Å |
| 1453 | I | 85.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 134.2 | 169.2 | -68.9 | 178.5 | 0 | 0 | 0 | 110.2 | L1455 D1471 L1472 V1508 Y1509 L1511 M1525 | I1453-L1455 PolarHBondContact O-N 3.09Å; I1453-D1471 WeakPolarHBondContact CA-O 3.29Å; I1453-L1472 HydrophobicContact CG1-CD1 4.44Å; I1453-V1508 CarbonylContact O-C 3.52Å; I1453-V1508 VanDerWaalsContact O-CA 3.31Å; I1453-V1508 WeakPolarHBondContact O-CA 3.38Å; I1453-Y1509 PolarHBondContact N-O 3.04Å; I1453-Y1509 PolarHBondContact O-N 2.96Å; I1453-L1511 HydrophobicContact CD1-CD1 4.01Å; I1453-L1511 HydrophobicContact CD1-CD2 3.98Å; I1453-L1511 HydrophobicContact CD1-CG 4.24Å; I1453-L1511 HydrophobicContact CG1-CD1 3.98Å; I1453-L1511 HydrophobicContact CG1-CD2 4.46Å; I1453-L1511 HydrophobicContact CG1-CG 4.22Å; I1453-M1525 HydrophobicContact CB-SD 3.81Å; I1453-M1525 HydrophobicContact CD1-CG 4.33Å; I1453-M1525 HydrophobicContact CD1-SD 3.67Å; I1453-M1525 HydrophobicContact CG1-SD 4.28Å; I1453-M1525 HydrophobicContact CG2-CB 4.38Å; I1453-M1525 HydrophobicContact CG2-CE 4.28Å; I1453-M1525 HydrophobicContact CG2-SD 3.77Å |
| 1454 | A | 84.9 | Confident | 80.3 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 125.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1467 R1468 G1470 D1471 L1473 | A1454-T1467 HydrophobicContact CB-CG2 4.21Å; A1454-R1468 WeakPolarHBondContact CB-O 3.36Å; A1454-G1470 PolarHBondContact O-N 3.17Å; A1454-D1471 HydrophobicContact CB-CB 4.29Å; A1454-D1471 PolarHBondContact N-O 3.11Å; A1454-L1473 HydrophobicContact CB-CD1 4.28Å |
| 1455 | L | 80.4 | Confident | 79.8 | Confident | 50 Ų | 50 | 53.4 Ų | 53.4 | 26% | 0.262 | 30% | 0.302 | S | S | . | . | trans | -87.4 | -16.5 | -179.8 | -67.2 | 173.3 | 0 | 0 | 0 | 113.5 | I1453 K1469 N1507 M1525 T1529 | I1453-L1455 PolarHBondContact O-N 3.09Å; L1455-K1469 WeakPolarHBondContact O-CE 3.44Å; L1455-K1469 WeakPolarHBondContact O-CG 3.21Å; L1455-N1507 WeakPolarHBondContact CB-O 3.42Å; L1455-N1507 PolarHBondContact N-O 3.06Å; L1455-M1525 HydrophobicContact CD2-CE 3.54Å; L1455-T1529 HydrophobicContact CD2-CG2 4.01Å | ||
| 1456 | V | 78.1 | Confident | 79.4 | Confident | 68 Ų | 68 | 56 Ų | 56 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -139.2 | 143.8 | -169.6 | -157.8 | 0 | 0 | 0 | 0 | 110.1 | T1467 N1507 | V1456-T1467 PolarHBondContact O-OG1 2.99Å; V1456-N1507 HydrophobicContact CG2-CB 4.3Å |
| 1457 | D | 81.1 | Confident | 79.1 | Confident | 101 Ų | 101 | 54.3 Ų | 54.3 | 54% | 0.54 | 31% | 0.314 | S | S | . | . | trans | -71.6 | 128.6 | 167.4 | -59.9 | -66.8 | 0 | 0 | 0 | 110.4 | R1468 K1469 | D1457-R1468 VanDerWaalsContact OD1-CA 3.27Å; D1457-R1468 WeakPolarHBondContact OD1-CA 3.42Å; D1457-K1469 PolarHBondContact OD1-N 3.49Å | ||
| 1458 | N | 76.6 | Confident | 78.7 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 26% | 0.262 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -135.8 | 79.2 | -178.5 | -173.9 | 20 | 0 | 0 | 0 | 109.8 | P1461 L1465 T1466 T1467 | N1458-P1461 WeakPolarHBondContact ND2-CG 3.38Å; N1458-L1465 PolarHBondContact ND2-O 2.86Å; N1458-L1465 VanDerWaalsContact ND2-O 3.17Å; N1458-T1466 WeakPolarHBondContact O-CA 3.39Å; N1458-T1467 PolarHBondContact N-O 3.42Å; N1458-T1467 PolarHBondContact O-N 3.07Å |
| 1459 | P | 68.2 | Low | 78.1 | Confident | 99 Ų | 99 | 58.7 Ų | 58.7 | 64% | 0.643 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -80.8 | -15.7 | -166.8 | 30.2 | -35.9 | 0 | 0 | 0 | 115.4 | ||
| 1460 | S | 64.5 | Low | 77.4 | Confident | 111 Ų | 111 | 59.2 Ų | 59.2 | 78% | 0.776 | 33% | 0.332 | S | S | * | . | trans | -160.2 | 68 | -177.6 | -64.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1461 | P | 58.9 | Low | 77 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 25% | 0.247 | 33% | 0.326 | C | S | . | . | trans | -84.2 | 133.7 | 172.6 | 34.7 | -36 | 0 | 0 | 0 | 112 | N1458 N1463 G1464 | N1458-P1461 WeakPolarHBondContact ND2-CG 3.38Å; P1461-N1463 PolarHBondContact O-N 3.13Å; P1461-G1464 VanDerWaalsContact CG-C 3.48Å; P1461-G1464 WeakPolarHBondContact CG-O 3.42Å | ||
| 1462 | S | 58.4 | Low | 76.9 | Confident | 125 Ų | 125 | 56.5 Ų | 56.5 | 87% | 0.874 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -0.2 | -175.3 | 60 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1463 | N | 63.8 | Low | 76.8 | Confident | 142 Ų | 142 | 56.5 Ų | 56.5 | 76% | 0.759 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -157.9 | 15.3 | 173.9 | -96.6 | -38.6 | 0 | 0 | 0 | 112.4 | P1461 | P1461-N1463 PolarHBondContact O-N 3.13Š|
| 1464 | G | 68 | Low | 77.1 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 25% | 0.247 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -112.1 | 173.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1461 I1502 | P1461-G1464 VanDerWaalsContact CG-C 3.48Å; P1461-G1464 WeakPolarHBondContact CG-O 3.42Å; G1464-I1502 CarbonylContact C-O 3.53Å; G1464-I1502 WeakPolarHBondContact CA-O 3.39Å |
| 1465 | L | 80.7 | Confident | 77.3 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | trans | -78.3 | 134.2 | 170.4 | -175.8 | 59.6 | 0 | 0 | 0 | 111 | N1458 T1467 L1473 A1492 N1494 D1499 I1502 I1503 | N1458-L1465 PolarHBondContact ND2-O 2.86Å; N1458-L1465 VanDerWaalsContact ND2-O 3.17Å; L1465-T1467 HydrophobicContact CB-CG2 4.38Å; L1465-T1467 HydrophobicContact CD2-CG2 4.04Å; L1465-T1467 HydrophobicContact CG-CG2 3.89Å; L1465-T1467 PolarHBondContact O-N 3.42Å; L1465-L1473 HydrophobicContact CD2-CD1 4.29Å; L1465-L1473 HydrophobicContact CD2-CD2 4.02Å; L1465-A1492 HydrophobicContact CD2-CB 4.13Å; L1465-N1494 HydrophobicContact CD1-CB 3.99Å; L1465-N1494 HydrophobicContact CD2-CB 4.11Å; L1465-N1494 HydrophobicContact CG-CB 4.27Å; L1465-D1499 HydrophobicContact CD1-CB 3.88Å; L1465-D1499 VanDerWaalsContact CD1-O 3.26Å; L1465-D1499 WeakPolarHBondContact CD1-O 3.3Å; L1465-I1502 PolarHBondContact N-O 3.47Å; L1465-I1503 HydrophobicContact CB-CG2 3.81Å; L1465-I1503 HydrophobicContact CD2-CG2 3.82Å; L1465-I1503 HydrophobicContact CG-CG2 4.46Å | ||
| 1466 | T | 82.6 | Confident | 77.6 | Confident | 63 Ų | 63 | 59.6 Ų | 59.6 | 39% | 0.387 | 34% | 0.339 | S | S | . | . | trans | -72.6 | 121 | 169.6 | -54 | 0 | 0 | 0 | 0 | 109.5 | N1458 N1494 | N1458-T1466 WeakPolarHBondContact O-CA 3.39Å; T1466-N1494 PolarHBondContact O-ND2 3.03Å | ||
| 1467 | T | 82.3 | Confident | 77.7 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 8% | 0.08 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -138.1 | 146.2 | -178.5 | 61.2 | 0 | 0 | 0 | 0 | 111.8 | A1454 V1456 N1458 L1465 L1473 | A1454-T1467 HydrophobicContact CB-CG2 4.21Å; V1456-T1467 PolarHBondContact O-OG1 2.99Å; N1458-T1467 PolarHBondContact N-O 3.42Å; N1458-T1467 PolarHBondContact O-N 3.07Å; L1465-T1467 HydrophobicContact CB-CG2 4.38Å; L1465-T1467 HydrophobicContact CD2-CG2 4.04Å; L1465-T1467 HydrophobicContact CG-CG2 3.89Å; L1465-T1467 PolarHBondContact O-N 3.42Å; T1467-L1473 HydrophobicContact CG2-CD1 4.1Å; T1467-L1473 HydrophobicContact CG2-CD2 3.77Å |
| 1468 | R | 82.1 | Confident | 77.6 | Confident | 187 Ų | 187 | 64.7 Ų | 64.7 | 71% | 0.706 | 36% | 0.355 | S | S | * | . | trans | -100.8 | 153.2 | 160.1 | -62.6 | -180 | -179.2 | -179.7 | 1.2 | 109.8 | A1454 D1457 G1470 D1471 | A1454-R1468 WeakPolarHBondContact CB-O 3.36Å; D1457-R1468 VanDerWaalsContact OD1-CA 3.27Å; D1457-R1468 WeakPolarHBondContact OD1-CA 3.42Å; R1468-G1470 PolarHBondContact O-N 3.05Å; R1468-D1471 PolarHBondContact N-OD2 3.11Å; R1468-D1471 WeakPolarHBondContact O-CB 3.48Å; R1468-D1471 PolarHBondContact O-N 3.28Å | ||
| 1469 | K | 80.7 | Confident | 78.1 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 118.9 | 175.6 | -177.1 | -179.4 | -174.3 | -159.8 | 0 | 109.9 | L1455 D1457 I1526 T1529 | L1455-K1469 WeakPolarHBondContact O-CE 3.44Å; L1455-K1469 WeakPolarHBondContact O-CG 3.21Å; D1457-K1469 PolarHBondContact OD1-N 3.49Å; K1469-I1526 HydrophobicContact CD-CG2 4.46Å; K1469-I1526 PolarHBondContact NZ-O 2.8Å; K1469-I1526 VanDerWaalsContact NZ-O 3.07Å; K1469-I1526 WeakPolarHBondContact O-CD1 3.4Å; K1469-T1529 VanDerWaalsContact CE-OG1 3.27Å; K1469-T1529 WeakPolarHBondContact CE-OG1 3.35Å; K1469-T1529 PolarHBondContact NZ-OG1 2.97Å |
| 1470 | G | 76.3 | Confident | 79.1 | Confident | 11 Ų | 11 | 61.4 Ų | 61.4 | 11% | 0.113 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 103 | -7.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1454 R1468 L1472 | A1454-G1470 PolarHBondContact O-N 3.17Å; R1468-G1470 PolarHBondContact O-N 3.05Å; G1470-L1472 PolarHBondContact O-N 3.2Å |
| 1471 | D | 83.5 | Confident | 80.2 | Confident | 28 Ų | 28 | 56.1 Ų | 56.1 | 15% | 0.15 | 30% | 0.296 | C | S | . | . | trans | -62.9 | 134.1 | 175.9 | -75 | -6.2 | 0 | 0 | 0 | 111.4 | I1453 A1454 R1468 L1473 N1494 | I1453-D1471 WeakPolarHBondContact CA-O 3.29Å; A1454-D1471 HydrophobicContact CB-CB 4.29Å; A1454-D1471 PolarHBondContact N-O 3.11Å; R1468-D1471 PolarHBondContact N-OD2 3.11Å; R1468-D1471 WeakPolarHBondContact O-CB 3.48Å; R1468-D1471 PolarHBondContact O-N 3.28Å; D1471-L1473 HydrophobicContact CB-CD2 4.01Å; D1471-N1494 PolarHBondContact OD2-ND2 3.03Å | ||
| 1472 | L | 87.9 | Confident | 81.5 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 123.9 | 172 | 178.6 | 71.1 | 0 | 0 | 0 | 109.4 | F1451 I1453 G1470 V1495 L1511 P1517 | F1451-L1472 HydrophobicContact CB-CD1 4.46Å; I1453-L1472 HydrophobicContact CG1-CD1 4.44Å; G1470-L1472 PolarHBondContact O-N 3.2Å; L1472-V1495 HydrophobicContact CB-CB 4.44Å; L1472-V1495 HydrophobicContact CD2-CB 4.29Å; L1472-V1495 HydrophobicContact CD2-CG1 4.25Å; L1472-V1495 HydrophobicContact CD2-CG2 4.37Å; L1472-V1495 HydrophobicContact CG-CB 4.35Å; L1472-V1495 HydrophobicContact CG-CG2 4.23Å; L1472-V1495 VanDerWaalsContact O-CB 3.27Å; L1472-V1495 WeakPolarHBondContact O-CB 3.43Å; L1472-V1495 WeakPolarHBondContact O-CG2 3.35Å; L1472-V1495 PolarHBondContact O-N 2.69Å; L1472-L1511 HydrophobicContact CD1-CD1 3.92Å; L1472-P1517 HydrophobicContact CD1-CG 3.66Å; L1472-P1517 HydrophobicContact CD2-CG 4.03Å |
| 1473 | L | 88.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 144.2 | 178.9 | -36.1 | 175.9 | 0 | 0 | 0 | 110.2 | L1452 A1454 L1465 T1467 D1471 A1492 E1493 N1494 I1503 V1508 | L1452-L1473 HydrophobicContact CB-CB 4.25Å; L1452-L1473 PolarHBondContact N-O 3.39Å; L1452-L1473 PolarHBondContact O-N 3.06Å; A1454-L1473 HydrophobicContact CB-CD1 4.28Å; L1465-L1473 HydrophobicContact CD2-CD1 4.29Å; L1465-L1473 HydrophobicContact CD2-CD2 4.02Å; T1467-L1473 HydrophobicContact CG2-CD1 4.1Å; T1467-L1473 HydrophobicContact CG2-CD2 3.77Å; D1471-L1473 HydrophobicContact CB-CD2 4.01Å; L1473-A1492 HydrophobicContact CB-CB 4.32Å; L1473-E1493 CarbonylContact C-O 3.5Å; L1473-E1493 VanDerWaalsContact CA-O 3.23Å; L1473-E1493 WeakPolarHBondContact CA-O 3.21Å; L1473-N1494 HydrophobicContact CD2-CB 4.05Å; L1473-I1503 HydrophobicContact CD1-CD1 4.49Å; L1473-I1503 HydrophobicContact CD1-CG2 4.08Å; L1473-V1508 HydrophobicContact CD1-CG1 3.85Å |
| 1474 | K | 91.1 | Very high | 83.8 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 18% | 0.183 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.3 | 176.2 | -175.2 | -141.3 | 167.7 | -168.2 | 0 | 109.7 | R1450 F1451 D1477 A1492 E1493 V1495 | R1450-K1474 CarbonylContact O-C 3.5Å; R1450-K1474 WeakPolarHBondContact O-CA 3.39Å; F1451-K1474 HydrophobicContact CE1-CG 4.13Å; K1474-D1477 VanDerWaalsContact CE-OD1 3.3Å; K1474-D1477 WeakPolarHBondContact CE-OD1 3.49Å; K1474-D1477 IonicContact NZ-OD1 3.12Å; K1474-D1477 PolarHBondContact NZ-OD1 3.17Å; K1474-D1477 VanDerWaalsContact NZ-OD1 3.12Å; K1474-D1477 IonicContact NZ-OD2 2.7Å; K1474-D1477 PolarHBondContact NZ-OD2 2.93Å; K1474-A1492 CarbonylContact O-C 3.34Å; K1474-A1492 VanDerWaalsContact O-CA 3.24Å; K1474-A1492 WeakPolarHBondContact O-CA 3.48Å; K1474-E1493 HydrophobicContact CB-CB 4.4Å; K1474-E1493 WeakPolarHBondContact CD-OE2 3.38Å; K1474-E1493 PolarHBondContact N-O 3.29Å; K1474-E1493 PolarHBondContact O-N 3.46Å; K1474-V1495 HydrophobicContact CB-CG2 3.79Å |
| 1475 | L | 90.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 151.1 | 171.2 | -70.4 | 174.3 | 0 | 0 | 0 | 111.5 | R1450 L1452 L1479 A1481 A1490 K1491 A1492 I1503 | R1450-L1475 HydrophobicContact CB-CB 4.3Å; R1450-L1475 HydrophobicContact CG-CB 4.5Å; R1450-L1475 PolarHBondContact O-N 3.31Å; L1452-L1475 HydrophobicContact CD1-CD1 4.21Å; L1452-L1475 HydrophobicContact CD1-CD2 3.85Å; L1452-L1475 HydrophobicContact CD1-CG 3.82Å; L1452-L1475 HydrophobicContact CG-CG 4.44Å; L1475-L1479 HydrophobicContact CB-CB 4.36Å; L1475-A1481 HydrophobicContact CD1-CB 4.39Å; L1475-A1490 HydrophobicContact CD2-CB 3.64Å; L1475-K1491 WeakPolarHBondContact CD2-O 3.06Å; L1475-A1492 HydrophobicContact CD2-CB 4.31Å; L1475-I1503 HydrophobicContact CD2-CD1 4.17Å |
| 1476 | D | 86.5 | Confident | 84.5 | Confident | 75 Ų | 75 | 60.7 Ų | 60.7 | 40% | 0.401 | 29% | 0.292 | S | S | . | . | trans | -52.4 | 149.3 | 173.2 | 178 | 36.5 | 0 | 0 | 0 | 111.9 | K1478 L1479 K1491 | D1476-K1478 PolarHBondContact O-N 3.1Å; D1476-L1479 HydrophobicContact CB-CD1 4.17Å; D1476-L1479 HydrophobicContact CB-CG 4.29Å; D1476-L1479 PolarHBondContact O-N 2.72Å; D1476-K1491 PolarHBondContact N-O 2.75Å | ||
| 1477 | D | 78.9 | Confident | 84.6 | Confident | 88 Ų | 88 | 62.6 Ų | 62.6 | 47% | 0.471 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 4.2 | -169.3 | -77.6 | -46.7 | 0 | 0 | 0 | 115.1 | R1450 K1474 | R1450-D1477 IonicContact CZ-OD1 3.65Å; R1450-D1477 VanDerWaalsContact NH1-CA 3.32Å; R1450-D1477 PolarHBondContact NH1-O 3.08Å; R1450-D1477 IonicContact NH1-OD1 2.73Å; R1450-D1477 PolarHBondContact NH1-OD1 3.38Å; R1450-D1477 PolarHBondContact NH2-O 3.05Å; K1474-D1477 VanDerWaalsContact CE-OD1 3.3Å; K1474-D1477 WeakPolarHBondContact CE-OD1 3.49Å; K1474-D1477 IonicContact NZ-OD1 3.12Å; K1474-D1477 PolarHBondContact NZ-OD1 3.17Å; K1474-D1477 VanDerWaalsContact NZ-OD1 3.12Å; K1474-D1477 IonicContact NZ-OD2 2.7Å; K1474-D1477 PolarHBondContact NZ-OD2 2.93Å |
| 1478 | K | 80.9 | Confident | 84.6 | Confident | 189 Ų | 189 | 63.1 Ų | 63.1 | 82% | 0.822 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -8.3 | 168.3 | -67.8 | 176.6 | -179.5 | 175.2 | 0 | 113.8 | D1476 | D1476-K1478 PolarHBondContact O-N 3.1Š|
| 1479 | L | 85.6 | Confident | 84.8 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | trans | -109.1 | 163.2 | -175.1 | -58.4 | -179.4 | 0 | 0 | 0 | 111.6 | R1450 L1475 D1476 A1490 | R1450-L1479 PolarHBondContact NE-O 3.18Å; L1475-L1479 HydrophobicContact CB-CB 4.36Å; D1476-L1479 HydrophobicContact CB-CD1 4.17Å; D1476-L1479 HydrophobicContact CB-CG 4.29Å; D1476-L1479 PolarHBondContact O-N 2.72Å; L1479-A1490 HydrophobicContact CD1-CB 4.25Å | ||
| 1480 | T | 89.9 | Confident | 85.1 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | trans | -138.6 | 173.3 | 164 | 62.3 | 0 | 0 | 0 | 0 | 108.3 | V1447 S1449 E1482 S1483 L1484 | V1447-T1480 WeakPolarHBondContact O-CB 3.4Å; V1447-T1480 PolarHBondContact O-OG1 2.89Å; S1449-T1480 CarbonylContact O-C 3.59Å; S1449-T1480 WeakPolarHBondContact O-CA 3.31Å; T1480-E1482 PolarHBondContact O-N 2.79Å; T1480-E1482 WeakPolarHBondContact OG1-CB 3.36Å; T1480-E1482 PolarHBondContact OG1-N 2.78Å; T1480-S1483 WeakPolarHBondContact O-CB 3.21Å; T1480-S1483 PolarHBondContact O-N 3.5Å; T1480-S1483 PolarHBondContact O-OG 3.5Å; T1480-L1484 PolarHBondContact O-N 3.24Å | ||
| 1481 | A | 86.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.9 | -15.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1446 S1449 L1452 L1475 S1483 L1484 I1485 V1510 | R1446-A1481 WeakPolarHBondContact O-CB 3.2Å; S1449-A1481 PolarHBondContact O-N 3.05Å; L1452-A1481 HydrophobicContact CD2-CB 4.49Å; L1475-A1481 HydrophobicContact CD1-CB 4.39Å; A1481-S1483 VanDerWaalsContact C-N 3.31Å; A1481-S1483 PolarHBondContact O-N 3.29Å; A1481-L1484 PolarHBondContact O-N 2.78Å; A1481-I1485 WeakPolarHBondContact O-CB 3.44Å; A1481-I1485 WeakPolarHBondContact O-CD1 3.34Å; A1481-I1485 WeakPolarHBondContact O-CG1 3.32Å; A1481-I1485 PolarHBondContact O-N 3.47Å; A1481-V1510 HydrophobicContact CB-CB 4.31Å; A1481-V1510 HydrophobicContact CB-CG1 3.61Å; A1481-V1510 HydrophobicContact CB-CG2 3.85Å |
| 1482 | E | 87.3 | Confident | 85.9 | Confident | 116 Ų | 116 | 60.2 Ų | 60.2 | 54% | 0.542 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.1 | -45.3 | 166.9 | -166.3 | 166.8 | -173.1 | 0 | 0 | 111.8 | V1447 T1480 I1485 K1486 | V1447-E1482 HydrophobicContact CG1-CB 3.68Å; V1447-E1482 HydrophobicContact CG1-CG 3.76Å; V1447-E1482 WeakPolarHBondContact CG1-OE2 3.33Å; V1447-E1482 WeakPolarHBondContact O-CB 3.44Å; V1447-E1482 PolarHBondContact O-N 3.05Å; V1447-E1482 VanDerWaalsContact O-N 3.09Å; T1480-E1482 PolarHBondContact O-N 2.79Å; T1480-E1482 WeakPolarHBondContact OG1-CB 3.36Å; T1480-E1482 PolarHBondContact OG1-N 2.78Å; E1482-I1485 PolarHBondContact O-N 2.93Å; E1482-K1486 VanDerWaalsContact O-CB 3.23Å; E1482-K1486 WeakPolarHBondContact O-CB 3.44Å; E1482-K1486 PolarHBondContact O-N 3.03Å |
| 1483 | S | 85.2 | Confident | 86.1 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 20% | 0.203 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 175 | -44.3 | 0 | 0 | 0 | 0 | 110.9 | T1480 A1481 I1485 K1486 D1487 | T1480-S1483 WeakPolarHBondContact O-CB 3.21Å; T1480-S1483 PolarHBondContact O-N 3.5Å; T1480-S1483 PolarHBondContact O-OG 3.5Å; A1481-S1483 VanDerWaalsContact C-N 3.31Å; A1481-S1483 PolarHBondContact O-N 3.29Å; S1483-I1485 PolarHBondContact O-N 3.42Å; S1483-K1486 PolarHBondContact O-N 2.74Å; S1483-D1487 VanDerWaalsContact O-CB 3.31Å; S1483-D1487 WeakPolarHBondContact O-CB 3.45Å; S1483-D1487 PolarHBondContact O-N 3.34Å |
| 1484 | L | 85.7 | Confident | 86.1 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 179 | 176.8 | 61.8 | 0 | 0 | 0 | 113 | L1452 T1480 A1481 G1488 A1490 I1503 V1508 | L1452-L1484 HydrophobicContact CD1-CD2 3.77Å; L1452-L1484 HydrophobicContact CD2-CD2 4.24Å; T1480-L1484 PolarHBondContact O-N 3.24Å; A1481-L1484 PolarHBondContact O-N 2.78Å; L1484-G1488 CarbonylContact O-C 3.33Å; L1484-G1488 VanDerWaalsContact O-CA 3.29Å; L1484-G1488 WeakPolarHBondContact O-CA 3.32Å; L1484-G1488 PolarHBondContact O-N 3.08Å; L1484-A1490 HydrophobicContact CB-CB 4.03Å; L1484-A1490 HydrophobicContact CD1-CB 3.83Å; L1484-A1490 HydrophobicContact CG-CB 4.44Å; L1484-I1503 HydrophobicContact CD2-CD1 4.23Å; L1484-V1508 HydrophobicContact CD2-CG2 3.79Å |
| 1485 | I | 82 | Confident | 85.8 | Confident | 108 Ų | 108 | 62.1 Ų | 62.1 | 55% | 0.554 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -70.5 | -35 | 178.6 | -70.8 | 163.9 | 0 | 0 | 0 | 111 | A1481 E1482 S1483 | A1481-I1485 WeakPolarHBondContact O-CB 3.44Å; A1481-I1485 WeakPolarHBondContact O-CD1 3.34Å; A1481-I1485 WeakPolarHBondContact O-CG1 3.32Å; A1481-I1485 PolarHBondContact O-N 3.47Å; E1482-I1485 PolarHBondContact O-N 2.93Å; S1483-I1485 PolarHBondContact O-N 3.42Å |
| 1486 | K | 81.6 | Confident | 85.4 | Confident | 172 Ų | 172 | 65.8 Ų | 65.8 | 75% | 0.748 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -80.7 | -43.3 | -178.3 | -174.4 | -172.4 | 175.2 | -170.2 | 0 | 113.1 | E1482 S1483 | E1482-K1486 VanDerWaalsContact O-CB 3.23Å; E1482-K1486 WeakPolarHBondContact O-CB 3.44Å; E1482-K1486 PolarHBondContact O-N 3.03Å; S1483-K1486 PolarHBondContact O-N 2.74Å |
| 1487 | D | 83.2 | Confident | 85.2 | Confident | 104 Ų | 104 | 66 Ų | 66 | 56% | 0.556 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -102.1 | -1.3 | -170.3 | -51.9 | -32.8 | 0 | 0 | 0 | 112.1 | S1483 T1489 | S1483-D1487 VanDerWaalsContact O-CB 3.31Å; S1483-D1487 WeakPolarHBondContact O-CB 3.45Å; S1483-D1487 PolarHBondContact O-N 3.34Å; D1487-T1489 PolarHBondContact O-N 2.94Å |
| 1488 | G | 82.6 | Confident | 85.3 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 25% | 0.247 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 70.8 | -21.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1484 S1505 | L1484-G1488 CarbonylContact O-C 3.33Å; L1484-G1488 VanDerWaalsContact O-CA 3.29Å; L1484-G1488 WeakPolarHBondContact O-CA 3.32Å; L1484-G1488 PolarHBondContact O-N 3.08Å; G1488-S1505 PolarHBondContact O-N 3.37Å; G1488-S1505 PolarHBondContact O-OG 3.08Å |
| 1489 | T | 86.6 | Confident | 85.4 | Confident | 76 Ų | 76 | 58.5 Ų | 58.5 | 47% | 0.466 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 152.6 | 177.8 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | D1487 I1502 I1503 C1504 | D1487-T1489 PolarHBondContact O-N 2.94Å; T1489-I1502 HydrophobicContact CG2-CG2 4.5Å; T1489-I1503 WeakPolarHBondContact CA-O 3.44Å; T1489-I1503 WeakPolarHBondContact CB-O 3.44Å; T1489-C1504 HydrophobicContact CG2-CB 4.48Å |
| 1490 | A | 86.3 | Confident | 85.3 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 165.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1475 L1479 L1484 I1502 I1503 | L1475-A1490 HydrophobicContact CD2-CB 3.64Å; L1479-A1490 HydrophobicContact CD1-CB 4.25Å; L1484-A1490 HydrophobicContact CB-CB 4.03Å; L1484-A1490 HydrophobicContact CD1-CB 3.83Å; L1484-A1490 HydrophobicContact CG-CB 4.44Å; A1490-I1502 WeakPolarHBondContact O-CA 3.47Å; A1490-I1503 PolarHBondContact N-O 3.43Å; A1490-I1503 WeakPolarHBondContact O-CG1 3.25Å; A1490-I1503 PolarHBondContact O-N 3.23Å |
| 1491 | K | 88.2 | Confident | 85.1 | Confident | 137 Ų | 137 | 62.3 Ų | 62.3 | 60% | 0.596 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 134 | 167.8 | -75.6 | -171.5 | 175.5 | -173.8 | 0 | 110.8 | L1475 D1476 G1501 I1502 | L1475-K1491 WeakPolarHBondContact CD2-O 3.06Å; D1476-K1491 PolarHBondContact N-O 2.75Å; K1491-G1501 WeakPolarHBondContact CA-O 3.49Å; K1491-I1502 HydrophobicContact CG-CG1 4.36Å |
| 1492 | A | 89.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.008 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 155.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1465 L1473 K1474 L1475 F1500 G1501 I1503 | L1465-A1492 HydrophobicContact CD2-CB 4.13Å; L1473-A1492 HydrophobicContact CB-CB 4.32Å; K1474-A1492 CarbonylContact O-C 3.34Å; K1474-A1492 VanDerWaalsContact O-CA 3.24Å; K1474-A1492 WeakPolarHBondContact O-CA 3.48Å; L1475-A1492 HydrophobicContact CD2-CB 4.31Å; A1492-F1500 WeakPolarHBondContact O-CA 3.39Å; A1492-G1501 PolarHBondContact N-O 3.02Å; A1492-G1501 PolarHBondContact O-N 3.31Å; A1492-I1503 HydrophobicContact CB-CD1 3.64Å; A1492-I1503 HydrophobicContact CB-CG1 3.94Å; A1492-I1503 HydrophobicContact CB-CG2 4.27Å |
| 1493 | E | 90.8 | Very high | 85 | Confident | 47 Ų | 47 | 61.1 Ų | 61.1 | 22% | 0.22 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 132.4 | 167.8 | -177.4 | -174.2 | 173.6 | 0 | 0 | 108.9 | L1473 K1474 V1495 D1499 F1500 | L1473-E1493 CarbonylContact C-O 3.5Å; L1473-E1493 VanDerWaalsContact CA-O 3.23Å; L1473-E1493 WeakPolarHBondContact CA-O 3.21Å; K1474-E1493 HydrophobicContact CB-CB 4.4Å; K1474-E1493 WeakPolarHBondContact CD-OE2 3.38Å; K1474-E1493 PolarHBondContact N-O 3.29Å; K1474-E1493 PolarHBondContact O-N 3.46Å; E1493-V1495 PolarHBondContact O-N 3.1Å; E1493-D1499 CarbonylContact C-O 3.56Å; E1493-D1499 VanDerWaalsContact CA-O 3.29Å; E1493-D1499 WeakPolarHBondContact CA-O 3.38Å; E1493-F1500 HydrophobicContact CB-CD1 4Å; E1493-F1500 HydrophobicContact CB-CE1 3.64Å; E1493-F1500 HydrophobicContact CB-CE2 4.36Å; E1493-F1500 HydrophobicContact CB-CZ 3.83Å; E1493-F1500 HydrophobicContact CG-CD2 4.44Å; E1493-F1500 HydrophobicContact CG-CE1 4Å; E1493-F1500 HydrophobicContact CG-CE2 3.87Å; E1493-F1500 HydrophobicContact CG-CZ 3.63Å |
| 1494 | N | 89 | Confident | 85 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 110.4 | 165.8 | -175.7 | -20 | 0 | 0 | 0 | 108.6 | L1465 T1466 D1471 L1473 A1496 T1497 G1498 D1499 | L1465-N1494 HydrophobicContact CD1-CB 3.99Å; L1465-N1494 HydrophobicContact CD2-CB 4.11Å; L1465-N1494 HydrophobicContact CG-CB 4.27Å; T1466-N1494 PolarHBondContact O-ND2 3.03Å; D1471-N1494 PolarHBondContact OD2-ND2 3.03Å; L1473-N1494 HydrophobicContact CD2-CB 4.05Å; N1494-A1496 PolarHBondContact O-N 2.93Å; N1494-A1496 VanDerWaalsContact O-N 3.1Å; N1494-A1496 WeakPolarHBondContact OD1-CB 3.29Å; N1494-A1496 PolarHBondContact OD1-N 3.48Å; N1494-T1497 PolarHBondContact O-N 3.38Å; N1494-T1497 VanDerWaalsContact O-N 3.12Å; N1494-G1498 PolarHBondContact O-N 3.07Å; N1494-D1499 PolarHBondContact N-O 3.27Å |
| 1495 | V | 85.9 | Confident | 84.9 | Confident | 47 Ų | 47 | 63.6 Ų | 63.6 | 29% | 0.285 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -13.7 | -172.8 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | L1472 K1474 E1493 | L1472-V1495 HydrophobicContact CB-CB 4.44Å; L1472-V1495 HydrophobicContact CD2-CB 4.29Å; L1472-V1495 HydrophobicContact CD2-CG1 4.25Å; L1472-V1495 HydrophobicContact CD2-CG2 4.37Å; L1472-V1495 HydrophobicContact CG-CB 4.35Å; L1472-V1495 HydrophobicContact CG-CG2 4.23Å; L1472-V1495 VanDerWaalsContact O-CB 3.27Å; L1472-V1495 WeakPolarHBondContact O-CB 3.43Å; L1472-V1495 WeakPolarHBondContact O-CG2 3.35Å; L1472-V1495 PolarHBondContact O-N 2.69Å; K1474-V1495 HydrophobicContact CB-CG2 3.79Å; E1493-V1495 PolarHBondContact O-N 3.1Å |
| 1496 | A | 80.7 | Confident | 84.9 | Confident | 77 Ų | 77 | 64.5 Ų | 64.5 | 64% | 0.636 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -23.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | N1494 | N1494-A1496 PolarHBondContact O-N 2.93Å; N1494-A1496 VanDerWaalsContact O-N 3.1Å; N1494-A1496 WeakPolarHBondContact OD1-CB 3.29Å; N1494-A1496 PolarHBondContact OD1-N 3.48Å |
| 1497 | T | 81.9 | Confident | 85 | Confident | 80 Ų | 80 | 59.8 Ų | 59.8 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -23.6 | -176.4 | 67.2 | 0 | 0 | 0 | 0 | 114.4 | N1494 D1499 | N1494-T1497 PolarHBondContact O-N 3.38Å; N1494-T1497 VanDerWaalsContact O-N 3.12Å; T1497-D1499 VanDerWaalsContact C-N 3.3Å; T1497-D1499 WeakPolarHBondContact CB-OD2 3.42Å; T1497-D1499 WeakPolarHBondContact OG1-CB 3.28Å; T1497-D1499 VanDerWaalsContact OG1-CG 3.27Å; T1497-D1499 PolarHBondContact OG1-N 2.97Å; T1497-D1499 PolarHBondContact OG1-OD2 3.14Å |
| 1498 | G | 82.7 | Confident | 85.1 | Confident | 41 Ų | 41 | 55.6 Ų | 55.6 | 42% | 0.423 | 33% | 0.326 | S | S | . | . | trans | 81.7 | 3.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N1494 F1500 | N1494-G1498 PolarHBondContact O-N 3.07Å; G1498-F1500 WeakPolarHBondContact O-CD2 3.04Å; G1498-F1500 WeakPolarHBondContact O-CE2 3.09Å | ||
| 1499 | D | 81.9 | Confident | 85.3 | Confident | 78 Ų | 78 | 56.5 Ų | 56.5 | 42% | 0.417 | 32% | 0.323 | S | S | . | . | trans | -71.9 | 143.7 | 178.6 | -64.6 | -56.1 | 0 | 0 | 0 | 111.7 | L1465 E1493 N1494 T1497 | L1465-D1499 HydrophobicContact CD1-CB 3.88Å; L1465-D1499 VanDerWaalsContact CD1-O 3.26Å; L1465-D1499 WeakPolarHBondContact CD1-O 3.3Å; E1493-D1499 CarbonylContact C-O 3.56Å; E1493-D1499 VanDerWaalsContact CA-O 3.29Å; E1493-D1499 WeakPolarHBondContact CA-O 3.38Å; N1494-D1499 PolarHBondContact N-O 3.27Å; T1497-D1499 VanDerWaalsContact C-N 3.3Å; T1497-D1499 WeakPolarHBondContact CB-OD2 3.42Å; T1497-D1499 WeakPolarHBondContact OG1-CB 3.28Å; T1497-D1499 VanDerWaalsContact OG1-CG 3.27Å; T1497-D1499 PolarHBondContact OG1-N 2.97Å; T1497-D1499 PolarHBondContact OG1-OD2 3.14Å | ||
| 1500 | F | 84.1 | Confident | 85.4 | Confident | 146 Ų | 146 | 53.8 Ų | 53.8 | 64% | 0.64 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.3 | 174.7 | -73 | -101.3 | 0 | 0 | 0 | 110.9 | A1492 E1493 G1498 | A1492-F1500 WeakPolarHBondContact O-CA 3.39Å; E1493-F1500 HydrophobicContact CB-CD1 4Å; E1493-F1500 HydrophobicContact CB-CE1 3.64Å; E1493-F1500 HydrophobicContact CB-CE2 4.36Å; E1493-F1500 HydrophobicContact CB-CZ 3.83Å; E1493-F1500 HydrophobicContact CG-CD2 4.44Å; E1493-F1500 HydrophobicContact CG-CE1 4Å; E1493-F1500 HydrophobicContact CG-CE2 3.87Å; E1493-F1500 HydrophobicContact CG-CZ 3.63Å; G1498-F1500 WeakPolarHBondContact O-CD2 3.04Å; G1498-F1500 WeakPolarHBondContact O-CE2 3.09Å |
| 1501 | G | 85.7 | Confident | 85.4 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 13% | 0.134 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | -180 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1491 A1492 | K1491-G1501 WeakPolarHBondContact CA-O 3.49Å; A1492-G1501 PolarHBondContact N-O 3.02Å; A1492-G1501 PolarHBondContact O-N 3.31Å |
| 1502 | I | 85.7 | Confident | 85.5 | Confident | 77 Ų | 77 | 46.9 Ų | 46.9 | 40% | 0.395 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 136.7 | 176.7 | -57.4 | 176.8 | 0 | 0 | 0 | 109.9 | G1464 L1465 T1489 A1490 K1491 | G1464-I1502 CarbonylContact C-O 3.53Å; G1464-I1502 WeakPolarHBondContact CA-O 3.39Å; L1465-I1502 PolarHBondContact N-O 3.47Å; T1489-I1502 HydrophobicContact CG2-CG2 4.5Å; A1490-I1502 WeakPolarHBondContact O-CA 3.47Å; K1491-I1502 HydrophobicContact CG-CG1 4.36Å |
| 1503 | I | 86.3 | Confident | 85.4 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 7% | 0.067 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 154.1 | 174.4 | 54.9 | 162.9 | 0 | 0 | 0 | 110.8 | L1452 L1465 L1473 L1475 L1484 T1489 A1490 A1492 V1508 | L1452-I1503 HydrophobicContact CD1-CD1 3.31Å; L1465-I1503 HydrophobicContact CB-CG2 3.81Å; L1465-I1503 HydrophobicContact CD2-CG2 3.82Å; L1465-I1503 HydrophobicContact CG-CG2 4.46Å; L1473-I1503 HydrophobicContact CD1-CD1 4.49Å; L1473-I1503 HydrophobicContact CD1-CG2 4.08Å; L1475-I1503 HydrophobicContact CD2-CD1 4.17Å; L1484-I1503 HydrophobicContact CD2-CD1 4.23Å; T1489-I1503 WeakPolarHBondContact CA-O 3.44Å; T1489-I1503 WeakPolarHBondContact CB-O 3.44Å; A1490-I1503 PolarHBondContact N-O 3.43Å; A1490-I1503 WeakPolarHBondContact O-CG1 3.25Å; A1490-I1503 PolarHBondContact O-N 3.23Å; A1492-I1503 HydrophobicContact CB-CD1 3.64Å; A1492-I1503 HydrophobicContact CB-CG1 3.94Å; A1492-I1503 HydrophobicContact CB-CG2 4.27Å; I1503-V1508 HydrophobicContact CB-CG1 4.43Å; I1503-V1508 HydrophobicContact CD1-CG1 4.25Å; I1503-V1508 HydrophobicContact CD1-CG2 4.44Å |
| 1504 | C | 84.9 | Confident | 85.2 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 142.6 | 177.4 | -170.9 | 0 | 0 | 0 | 0 | 110.1 | T1489 D1506 N1507 | T1489-C1504 HydrophobicContact CG2-CB 4.48Å; C1504-D1506 PolarHBondContact O-N 3.26Å; C1504-N1507 PolarHBondContact O-N 2.87Å; C1504-N1507 VanDerWaalsContact O-N 3.16Å |
| 1505 | S | 83.2 | Confident | 85 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -48.8 | -42.4 | 178.5 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | G1488 N1507 V1508 | G1488-S1505 PolarHBondContact O-N 3.37Å; G1488-S1505 PolarHBondContact O-OG 3.08Å; S1505-N1507 PolarHBondContact O-N 2.94Å; S1505-V1508 PolarHBondContact O-N 3.23Å |
| 1506 | D | 81.8 | Confident | 84.9 | Confident | 126 Ų | 126 | 56.4 Ų | 56.4 | 67% | 0.674 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -71.3 | -17.2 | -171 | -57.7 | 3.7 | 0 | 0 | 0 | 113.2 | C1504 | C1504-D1506 PolarHBondContact O-N 3.26Š|
| 1507 | N | 83.6 | Confident | 84.8 | Confident | 73 Ų | 73 | 53 Ų | 53 | 39% | 0.39 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -103.9 | 3.7 | -176.4 | -69.1 | -17.1 | 0 | 0 | 0 | 113.5 | L1455 V1456 C1504 S1505 | L1455-N1507 WeakPolarHBondContact CB-O 3.42Å; L1455-N1507 PolarHBondContact N-O 3.06Å; V1456-N1507 HydrophobicContact CG2-CB 4.3Å; C1504-N1507 PolarHBondContact O-N 2.87Å; C1504-N1507 VanDerWaalsContact O-N 3.16Å; S1505-N1507 PolarHBondContact O-N 2.94Å |
| 1508 | V | 85.6 | Confident | 84.3 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 10% | 0.097 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 154.3 | -174.6 | -60.2 | 0 | 0 | 0 | 0 | 113.1 | L1452 I1453 L1473 L1484 I1503 S1505 | L1452-V1508 HydrophobicContact CB-CB 4.47Å; L1452-V1508 HydrophobicContact CD1-CG2 4.34Å; I1453-V1508 CarbonylContact O-C 3.52Å; I1453-V1508 VanDerWaalsContact O-CA 3.31Å; I1453-V1508 WeakPolarHBondContact O-CA 3.38Å; L1473-V1508 HydrophobicContact CD1-CG1 3.85Å; L1484-V1508 HydrophobicContact CD2-CG2 3.79Å; I1503-V1508 HydrophobicContact CB-CG1 4.43Å; I1503-V1508 HydrophobicContact CD1-CG1 4.25Å; I1503-V1508 HydrophobicContact CD1-CG2 4.44Å; S1505-V1508 PolarHBondContact O-N 3.23Å |
| 1509 | Y | 85.9 | Confident | 83.5 | Confident | 44 Ų | 44 | 58 Ų | 58 | 17% | 0.173 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.8 | 174.5 | 178.1 | -107.1 | 0 | 0 | 0 | 113.3 | R1446 L1452 I1453 L1511 M1525 | R1446-Y1509 PolarHBondContact NH2-OH 2.93Å; L1452-Y1509 VanDerWaalsContact CA-O 3.28Å; L1452-Y1509 WeakPolarHBondContact CA-O 3.49Å; I1453-Y1509 PolarHBondContact N-O 3.04Å; I1453-Y1509 PolarHBondContact O-N 2.96Å; Y1509-L1511 HydrophobicContact CD1-CD2 4.19Å; Y1509-L1511 HydrophobicContact CE1-CD2 4.09Å; Y1509-L1511 PolarHBondContact O-N 3.05Å; Y1509-M1525 HydrophobicContact CD1-CE 3.9Å; Y1509-M1525 HydrophobicContact CD1-SD 3.64Å; Y1509-M1525 HydrophobicContact CE1-SD 4.34Å; Y1509-M1525 HydrophobicContact CG-CE 3.88Å; Y1509-M1525 HydrophobicContact CG-SD 4.24Å |
| 1510 | V | 88.6 | Confident | 82.6 | Confident | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -30.6 | 75.2 | 151.6 | -124.7 | 0 | 0 | 0 | 0 | 121.7 | R1446 L1452 A1481 P1512 | R1446-V1510 HydrophobicContact CB-CB 4.42Å; R1446-V1510 HydrophobicContact CB-CG1 4.31Å; R1446-V1510 HydrophobicContact CG-CB 4.24Å; R1446-V1510 HydrophobicContact CG-CG1 4.36Å; L1452-V1510 HydrophobicContact CD2-CB 4.08Å; L1452-V1510 HydrophobicContact CD2-CG1 3.8Å; L1452-V1510 HydrophobicContact CD2-CG2 3.72Å; A1481-V1510 HydrophobicContact CB-CB 4.31Å; A1481-V1510 HydrophobicContact CB-CG1 3.61Å; A1481-V1510 HydrophobicContact CB-CG2 3.85Å; V1510-P1512 WeakPolarHBondContact O-CD 3.41Å |
| 1511 | L | 87.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -70 | 124.5 | 170.7 | -69.5 | 177.6 | 0 | 0 | 0 | 110.9 | V1394 I1419 S1449 F1451 I1453 L1472 Y1509 T1513 P1517 | V1394-L1511 HydrophobicContact CG1-CD2 4.42Å; I1419-L1511 HydrophobicContact CD1-CD2 4.34Å; S1449-L1511 WeakPolarHBondContact CB-O 3.07Å; S1449-L1511 PolarHBondContact OG-O 3.5Å; F1451-L1511 HydrophobicContact CB-CB 4.44Å; F1451-L1511 HydrophobicContact CB-CD1 4.25Å; F1451-L1511 WeakPolarHBondContact O-CB 3.09Å; F1451-L1511 PolarHBondContact O-N 2.95Å; I1453-L1511 HydrophobicContact CD1-CD1 4.01Å; I1453-L1511 HydrophobicContact CD1-CD2 3.98Å; I1453-L1511 HydrophobicContact CD1-CG 4.24Å; I1453-L1511 HydrophobicContact CG1-CD1 3.98Å; I1453-L1511 HydrophobicContact CG1-CD2 4.46Å; I1453-L1511 HydrophobicContact CG1-CG 4.22Å; L1472-L1511 HydrophobicContact CD1-CD1 3.92Å; Y1509-L1511 HydrophobicContact CD1-CD2 4.19Å; Y1509-L1511 HydrophobicContact CE1-CD2 4.09Å; Y1509-L1511 PolarHBondContact O-N 3.05Å; L1511-T1513 VanDerWaalsContact C-N 3.27Å; L1511-T1513 HydrophobicContact CB-CG2 4.07Å; L1511-T1513 PolarHBondContact O-N 3.24Å; L1511-P1517 HydrophobicContact CD1-CB 4.31Å; L1511-P1517 HydrophobicContact CD1-CG 3.84Å | ||
| 1512 | P | 88.9 | Confident | 80.1 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | trans | -78.3 | 70.6 | 177.5 | 33.7 | -36.8 | 0 | 0 | 0 | 111.3 | F1393 L1442 L1445 R1446 V1510 | F1393-P1512 WeakPolarHBondContact O-CG 3.35Å; L1442-P1512 HydrophobicContact CD2-CB 3.97Å; L1442-P1512 HydrophobicContact CD2-CG 3.86Å; L1445-P1512 HydrophobicContact CB-CB 3.82Å; L1445-P1512 HydrophobicContact CD1-CB 4.42Å; R1446-P1512 HydrophobicContact CG-CB 4.11Å; V1510-P1512 WeakPolarHBondContact O-CD 3.41Å | ||
| 1513 | T | 88.6 | Confident | 78.5 | Confident | 8 Ų | 8 | 56 Ų | 56 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | trans | -144.4 | 150.4 | 179.1 | -175.5 | 0 | 0 | 0 | 0 | 112.6 | S1449 F1451 L1511 S1515 | S1449-T1513 WeakPolarHBondContact CA-O 3.42Å; S1449-T1513 WeakPolarHBondContact CB-O 3.27Å; S1449-T1513 PolarHBondContact OG-O 2.9Å; S1449-T1513 VanDerWaalsContact OG-O 3.1Å; F1451-T1513 HydrophobicContact CB-CG2 3.93Å; F1451-T1513 HydrophobicContact CD2-CG2 3.91Å; F1451-T1513 HydrophobicContact CG-CG2 4.22Å; L1511-T1513 VanDerWaalsContact C-N 3.27Å; L1511-T1513 HydrophobicContact CB-CG2 4.07Å; L1511-T1513 PolarHBondContact O-N 3.24Å; T1513-S1515 VanDerWaalsContact CG2-O 3.25Å; T1513-S1515 WeakPolarHBondContact CG2-O 3.4Å; T1513-S1515 PolarHBondContact OG1-N 3.13Å; T1513-S1515 PolarHBondContact OG1-O 2.87Å | ||
| 1514 | L | 87.1 | Confident | 76.7 | Confident | 83 Ų | 83 | 59.1 Ų | 59.1 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -99 | -23.5 | 171 | -54.9 | 178.4 | 0 | 0 | 0 | 112.4 | W1208 L1445 R1448 | W1208-L1514 HydrophobicContact CB-CD1 3.88Å; L1445-L1514 HydrophobicContact CD2-CD1 4.32Å; L1445-L1514 HydrophobicContact CD2-CD2 4.18Å; L1445-L1514 HydrophobicContact CD2-CG 3.81Å; R1448-L1514 HydrophobicContact CB-CD2 3.59Å |
| 1515 | S | 85.2 | Confident | 75.1 | Confident | 82 Ų | 82 | 57.7 Ų | 57.7 | 57% | 0.573 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -104.2 | 157.1 | 178 | 49.4 | 0 | 0 | 0 | 0 | 111.1 | F1451 T1513 | F1451-S1515 VanDerWaalsContact CE2-C 3.42Å; T1513-S1515 VanDerWaalsContact CG2-O 3.25Å; T1513-S1515 WeakPolarHBondContact CG2-O 3.4Å; T1513-S1515 PolarHBondContact OG1-N 3.13Å; T1513-S1515 PolarHBondContact OG1-O 2.87Å |
| 1516 | K | 83.2 | Confident | 73.4 | Confident | 124 Ų | 124 | 59.8 Ų | 59.8 | 54% | 0.539 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 126.2 | 174.2 | -174.8 | 174.8 | -179.2 | 171.6 | 0 | 109.2 | F1451 | F1451-K1516 HydrophobicContact CE1-CB 3.9Å; F1451-K1516 HydrophobicContact CE1-CG 4.11Å; F1451-K1516 HydrophobicContact CZ-CB 3.92Å |
| 1517 | P | 77.9 | Confident | 71.6 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.032 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 151.2 | -178.5 | 28.4 | -36.6 | 0 | 0 | 0 | 111.1 | V1394 L1472 L1511 | V1394-P1517 HydrophobicContact CG1-CB 4.41Å; L1472-P1517 HydrophobicContact CD1-CG 3.66Å; L1472-P1517 HydrophobicContact CD2-CG 4.03Å; L1511-P1517 HydrophobicContact CD1-CB 4.31Å; L1511-P1517 HydrophobicContact CD1-CG 3.84Å |
| 1518 | P | 71.7 | Confident | 69.7 | Low | 82 Ų | 82 | 58.7 Ų | 58.7 | 53% | 0.532 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 146 | 172.4 | 25.5 | -30.5 | 0 | 0 | 0 | 110.7 | E1520 V1521 | P1518-E1520 PolarHBondContact O-N 3.07Å; P1518-V1521 HydrophobicContact CG-CG2 3.98Å; P1518-V1521 PolarHBondContact O-N 3.35Å; P1518-V1521 VanDerWaalsContact O-N 3.16Å |
| 1519 | L | 65.3 | Low | 67.4 | Low | 143 Ų | 143 | 60.4 Ų | 60.4 | 75% | 0.749 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -22.5 | -169.3 | -70.5 | 168.5 | 0 | 0 | 0 | 114.3 | V1521 P1523 | L1519-V1521 VanDerWaalsContact C-N 3.28Å; L1519-V1521 PolarHBondContact O-N 3.5Å; L1519-P1523 WeakPolarHBondContact O-CD 3.15Å |
| 1520 | E | 64.2 | Low | 64.9 | Low | 162 Ų | 162 | 65.9 Ų | 65.9 | 76% | 0.757 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -21.3 | -178.3 | -62.2 | 173.4 | 164.9 | 0 | 0 | 113.1 | P1518 L1524 | P1518-E1520 PolarHBondContact O-N 3.07Å; E1520-L1524 WeakPolarHBondContact O-CD1 3.33Å |
| 1521 | V | 61.2 | Low | 62.1 | Low | 14 Ų | 14 | 71 Ų | 71 | 9% | 0.085 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -37.3 | -177.1 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | V1394 I1419 P1518 L1519 | V1394-V1521 HydrophobicContact CG1-CG1 4.27Å; I1419-V1521 HydrophobicContact CD1-CG1 3.88Å; P1518-V1521 HydrophobicContact CG-CG2 3.98Å; P1518-V1521 PolarHBondContact O-N 3.35Å; P1518-V1521 VanDerWaalsContact O-N 3.16Å; L1519-V1521 VanDerWaalsContact C-N 3.28Å; L1519-V1521 PolarHBondContact O-N 3.5Å |
| 1522 | C | 55.7 | Low | 59.3 | Low | 17 Ų | 17 | 78.2 Ų | 78.2 | 12% | 0.115 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -61.8 | -43.6 | -169.3 | -54.3 | 0 | 0 | 0 | 0 | 114.9 | L1524 | C1522-L1524 VanDerWaalsContact C-N 3.26Å; C1522-L1524 PolarHBondContact O-N 3.09Å |
| 1523 | P | 52.1 | Low | 56.4 | Low | 81 Ų | 81 | 84 Ų | 84 | 53% | 0.526 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -68.7 | -18 | -173.9 | -21.8 | 34.7 | 0 | 0 | 0 | 115.3 | L1519 | L1519-P1523 WeakPolarHBondContact O-CD 3.15Š|
| 1524 | L | 49.1 | Very low | 53.4 | Low | 77 Ų | 77 | 94.8 Ų | 94.8 | 40% | 0.403 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -90.9 | -17.7 | -161 | -67.3 | 168.1 | 0 | 0 | 0 | 114.7 | E1520 C1522 I1526 | E1520-L1524 WeakPolarHBondContact O-CD1 3.33Å; C1522-L1524 VanDerWaalsContact C-N 3.26Å; C1522-L1524 PolarHBondContact O-N 3.09Å; L1524-I1526 PolarHBondContact O-N 3.1Å; L1524-I1526 VanDerWaalsContact O-N 3.11Å |
| 1525 | M | 49.9 | Very low | 50.5 | Low | 15 Ų | 15 | 100.2 Ų | 100.2 | 7% | 0.074 | 53% | 0.534 | C | S | . | . | G | 310 helix | trans | -64.4 | -13.4 | 176.5 | -87.7 | -165.6 | 61 | 0 | 0 | 115.1 | I1419 I1453 L1455 Y1509 V1527 T1529 | I1419-M1525 HydrophobicContact CD1-CG 3.71Å; I1419-M1525 HydrophobicContact CD1-SD 4.08Å; I1419-M1525 HydrophobicContact CG1-CG 3.68Å; I1419-M1525 HydrophobicContact CG1-SD 4.49Å; I1453-M1525 HydrophobicContact CB-SD 3.81Å; I1453-M1525 HydrophobicContact CD1-CG 4.33Å; I1453-M1525 HydrophobicContact CD1-SD 3.67Å; I1453-M1525 HydrophobicContact CG1-SD 4.28Å; I1453-M1525 HydrophobicContact CG2-CB 4.38Å; I1453-M1525 HydrophobicContact CG2-CE 4.28Å; I1453-M1525 HydrophobicContact CG2-SD 3.77Å; L1455-M1525 HydrophobicContact CD2-CE 3.54Å; Y1509-M1525 HydrophobicContact CD1-CE 3.9Å; Y1509-M1525 HydrophobicContact CD1-SD 3.64Å; Y1509-M1525 HydrophobicContact CE1-SD 4.34Å; Y1509-M1525 HydrophobicContact CG-CE 3.88Å; Y1509-M1525 HydrophobicContact CG-SD 4.24Å; M1525-V1527 VanDerWaalsContact C-N 3.25Å; M1525-V1527 PolarHBondContact O-N 3.4Å; M1525-T1529 PolarHBondContact O-OG1 3.38Å |
| 1526 | I | 47.4 | Very low | 47.9 | Very low | 84 Ų | 84 | 105 Ų | 105 | 43% | 0.431 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -67.7 | -27.6 | -173.3 | -59.1 | 178.2 | 0 | 0 | 0 | 111.7 | K1469 L1524 | K1469-I1526 HydrophobicContact CD-CG2 4.46Å; K1469-I1526 PolarHBondContact NZ-O 2.8Å; K1469-I1526 VanDerWaalsContact NZ-O 3.07Å; K1469-I1526 WeakPolarHBondContact O-CD1 3.4Å; L1524-I1526 PolarHBondContact O-N 3.1Å; L1524-I1526 VanDerWaalsContact O-N 3.11Å |
| 1527 | V | 44.5 | Very low | 45.3 | Very low | 122 Ų | 122 | 110.1 Ų | 110.1 | 74% | 0.739 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -32.9 | -169.1 | -176 | 0 | 0 | 0 | 0 | 114.1 | M1525 | M1525-V1527 VanDerWaalsContact C-N 3.25Å; M1525-V1527 PolarHBondContact O-N 3.4Å |
| 1528 | T | 44 | Very low | 43.3 | Very low | 54 Ų | 54 | 122.1 Ų | 122.1 | 33% | 0.331 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.7 | -7 | -165.1 | 45.5 | 0 | 0 | 0 | 0 | 115.4 | N1530 | T1528-N1530 PolarHBondContact O-N 3.32Š|
| 1529 | T | 38.2 | Very low | 41.9 | Very low | 52 Ų | 52 | 124.2 Ų | 124.2 | 32% | 0.319 | 60% | 0.602 | S | S | . | * | trans | -79 | 26.6 | -165.4 | 28.1 | 0 | 0 | 0 | 0 | 116.5 | L1455 K1469 M1525 | L1455-T1529 HydrophobicContact CD2-CG2 4.01Å; K1469-T1529 VanDerWaalsContact CE-OG1 3.27Å; K1469-T1529 WeakPolarHBondContact CE-OG1 3.35Å; K1469-T1529 PolarHBondContact NZ-OG1 2.97Å; M1525-T1529 PolarHBondContact O-OG1 3.38Å | ||
| 1530 | N | 32.6 | Very low | 41.5 | Very low | 158 Ų | 158 | 123.4 Ų | 123.4 | 85% | 0.845 | 60% | 0.595 | S | S | * | * | trans | -100.3 | 13.2 | -175.2 | -107.6 | -19.3 | 0 | 0 | 0 | 115.2 | T1528 | T1528-N1530 PolarHBondContact O-N 3.32Š| ||
| 1531 | T | 29.5 | Very low | 41.7 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 78% | 0.779 | 59% | 0.59 | S | S | * | * | trans | -124.1 | 42.9 | -169.4 | 44 | 0 | 0 | 0 | 0 | 115 | ||||
| 1532 | I | 29.5 | Very low | 42.3 | Very low | 152 Ų | 152 | 130.1 Ų | 130.1 | 78% | 0.779 | 62% | 0.621 | S | S | * | * | trans | -77.2 | 125.8 | 164.3 | -58.6 | 178.4 | 0 | 0 | 0 | 109.1 | R1534 | I1532-R1534 PolarHBondContact O-N 2.98Š| ||
| 1533 | P | 28.2 | Very low | 43.6 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 79% | 0.792 | 63% | 0.625 | S | S | * | * | trans | -72.8 | 103.5 | -174.1 | 28 | -34.6 | 0 | 0 | 0 | 112.3 | Q1535 | P1533-Q1535 PolarHBondContact O-N 2.84Š| ||
| 1534 | R | 25.8 | Very low | 45.3 | Very low | 234 Ų | 234 | 127.8 Ų | 127.8 | 88% | 0.883 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134.3 | 172.1 | -89.8 | -178.3 | 164 | 169.5 | -3.7 | 111.8 | I1532 R1536 | I1532-R1534 PolarHBondContact O-N 2.98Å; R1534-R1536 PolarHBondContact O-N 3.12Å |
| 1535 | Q | 25.6 | Very low | 46.8 | Very low | 198 Ų | 198 | 125.1 Ų | 125.1 | 93% | 0.925 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -53 | 122.7 | 170.2 | -66.7 | 174.1 | -14.2 | 0 | 0 | 110.7 | P1533 | P1533-Q1535 PolarHBondContact O-N 2.84Š|
| 1536 | R | 29.5 | Very low | 48.2 | Very low | 181 Ų | 181 | 130.2 Ų | 130.2 | 68% | 0.683 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 132.4 | 177.1 | -73.4 | 177.8 | 167.4 | -142 | -19.5 | 110.9 | R1534 E1547 | R1534-R1536 PolarHBondContact O-N 3.12Å; R1536-E1547 IonicContact CZ-OE1 2.75Å; R1536-E1547 IonicContact CZ-OE2 2.65Å; R1536-E1547 IonicContact NH1-OE1 3.63Å; R1536-E1547 IonicContact NH1-OE2 3.6Å; R1536-E1547 PolarHBondContact NH1-OE2 2.84Å; R1536-E1547 VanDerWaalsContact NH2-CD 3.34Å; R1536-E1547 IonicContact NH2-OE1 3.25Å; R1536-E1547 PolarHBondContact NH2-OE1 2.98Å; R1536-E1547 IonicContact NH2-OE2 2.77Å; R1536-E1547 PolarHBondContact NH2-OE2 2.93Å |
| 1537 | R | 29.3 | Very low | 49.6 | Very low | 233 Ų | 233 | 129.8 Ų | 129.8 | 88% | 0.879 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 155.9 | 169.1 | -68.9 | 178.3 | 172.6 | 177.3 | -3.9 | 109.8 | E1539 | R1537-E1539 PolarHBondContact O-N 3.43Å; R1537-E1539 VanDerWaalsContact O-N 3.11Å |
| 1538 | R | 35 | Very low | 51.3 | Low | 256 Ų | 256 | 125.3 Ų | 125.3 | 97% | 0.966 | 58% | 0.581 | S | S | * | * | trans | -67.8 | 104.7 | 169.9 | -70.2 | 179.1 | 175.7 | 174.2 | -1.5 | 109 | ||||
| 1539 | E | 43 | Very low | 53.1 | Low | 126 Ų | 126 | 123.7 Ų | 123.7 | 59% | 0.589 | 57% | 0.57 | S | S | * | * | trans | -81.4 | 151.4 | 168.4 | -68.3 | -167.5 | 174.5 | 0 | 0 | 111.4 | R1537 L1541 S1545 | R1537-E1539 PolarHBondContact O-N 3.43Å; R1537-E1539 VanDerWaalsContact O-N 3.11Å; E1539-L1541 PolarHBondContact O-N 2.89Å; E1539-S1545 PolarHBondContact OE2-OG 2.91Å | ||
| 1540 | E | 57.4 | Low | 55.2 | Low | 126 Ų | 126 | 127 Ų | 127 | 59% | 0.589 | 59% | 0.59 | S | S | * | * | trans | -74.5 | 110.6 | 178.8 | -67.1 | -165.3 | 140.5 | 0 | 0 | 111.1 | W1542 C1543 | E1540-W1542 PolarHBondContact O-N 3.28Å; E1540-C1543 PolarHBondContact O-SG 3.17Å | ||
| 1541 | L | 67.2 | Low | 57.6 | Low | 125 Ų | 125 | 125.1 Ų | 125.1 | 65% | 0.654 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -7.8 | -174.8 | -84.3 | 162.8 | 0 | 0 | 0 | 115.8 | E1539 K1617 | E1539-L1541 PolarHBondContact O-N 2.89Å; L1541-K1617 WeakPolarHBondContact O-CD 3.43Å; L1541-K1617 WeakPolarHBondContact O-CE 3.5Å; L1541-K1617 PolarHBondContact O-NZ 3.13Å |
| 1542 | W | 74.9 | Confident | 60.4 | Low | 193 Ų | 193 | 119.8 Ų | 119.8 | 73% | 0.731 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | -12.4 | -163.5 | 51.5 | -44.7 | 0 | 0 | 0 | 115.2 | E1540 | E1540-W1542 PolarHBondContact O-N 3.28Š|
| 1543 | C | 83.4 | Confident | 63.2 | Low | 30 Ų | 30 | 114.8 Ų | 114.8 | 20% | 0.203 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -98.1 | 172.7 | 171.3 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | E1540 K1617 T1620 N1621 | E1540-C1543 PolarHBondContact O-SG 3.17Å; C1543-K1617 CarbonylContact C-O 3.46Å; C1543-K1617 WeakPolarHBondContact O-CE 3.39Å; C1543-K1617 WeakPolarHBondContact O-CG 3.39Å; C1543-K1617 PolarHBondContact O-NZ 2.88Å; C1543-T1620 CarbonylContact C-O 3.5Å; C1543-T1620 WeakPolarHBondContact CA-O 3.44Å; C1543-N1621 HydrophobicContact CB-CB 4.37Å |
| 1544 | H | 86.3 | Confident | 66.1 | Low | 19 Ų | 19 | 110.7 Ų | 110.7 | 9% | 0.088 | 49% | 0.488 | C | S | . | . | trans | -53.6 | 139.2 | 171.4 | 165.8 | -82.1 | 0 | 0 | 0 | 112.1 | Y1546 K1617 Q1618 T1620 N1622 | H1544-Y1546 AromaticContact CE1-CD1 3.82Å; H1544-Y1546 AromaticContact CE1-CD2 3.96Å; H1544-Y1546 AromaticContact CE1-CE1 3.61Å; H1544-Y1546 AromaticContact CE1-CE2 3.76Å; H1544-Y1546 AromaticContact CE1-CG 3.99Å; H1544-Y1546 AromaticContact CE1-CZ 3.58Å; H1544-Y1546 AromaticContact NE2-CE1 3.88Å; H1544-K1617 PolarHBondContact N-O 3.22Å; H1544-K1617 VanDerWaalsContact N-O 3.11Å; H1544-Q1618 PolarHBondContact CD2-OE1 2.92Å; H1544-T1620 PolarHBondContact N-O 3.46Å; H1544-N1622 HydrophobicContact CB-CB 3.73Å; H1544-N1622 PolarHBondContact CD2-ND2 3.49Å; H1544-N1622 VanDerWaalsContact CD2-ND2 3.28Å | ||
| 1545 | S | 81.9 | Confident | 68.7 | Low | 20 Ų | 20 | 107.5 Ų | 107.5 | 14% | 0.14 | 48% | 0.48 | C | S | . | . | trans | -146.7 | 142.8 | 168.3 | 175.3 | 0 | 0 | 0 | 0 | 110 | E1539 E1547 Q1618 | E1539-S1545 PolarHBondContact OE2-OG 2.91Å; S1545-E1547 PolarHBondContact O-N 2.6Å; S1545-E1547 PolarHBondContact OG-N 3.46Å; S1545-Q1618 PolarHBondContact O-NE2 3.17Å | ||
| 1546 | Y | 80.1 | Confident | 71.4 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 48% | 0.482 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -73.2 | -17.5 | 174.5 | -62 | -72.6 | 0 | 0 | 0 | 112.6 | H1544 | H1544-Y1546 AromaticContact CE1-CD1 3.82Å; H1544-Y1546 AromaticContact CE1-CD2 3.96Å; H1544-Y1546 AromaticContact CE1-CE1 3.61Å; H1544-Y1546 AromaticContact CE1-CE2 3.76Å; H1544-Y1546 AromaticContact CE1-CG 3.99Å; H1544-Y1546 AromaticContact CE1-CZ 3.58Å; H1544-Y1546 AromaticContact NE2-CE1 3.88Å |
| 1547 | E | 75.4 | Confident | 74.1 | Confident | 74 Ų | 74 | 94 Ų | 94 | 35% | 0.346 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -76.9 | 136.1 | -178.1 | -65.1 | -137.8 | 134.5 | 0 | 0 | 112.6 | R1536 S1545 L1549 Y1571 | R1536-E1547 IonicContact CZ-OE1 2.75Å; R1536-E1547 IonicContact CZ-OE2 2.65Å; R1536-E1547 IonicContact NH1-OE1 3.63Å; R1536-E1547 IonicContact NH1-OE2 3.6Å; R1536-E1547 PolarHBondContact NH1-OE2 2.84Å; R1536-E1547 VanDerWaalsContact NH2-CD 3.34Å; R1536-E1547 IonicContact NH2-OE1 3.25Å; R1536-E1547 PolarHBondContact NH2-OE1 2.98Å; R1536-E1547 IonicContact NH2-OE2 2.77Å; R1536-E1547 PolarHBondContact NH2-OE2 2.93Å; S1545-E1547 PolarHBondContact O-N 2.6Å; S1545-E1547 PolarHBondContact OG-N 3.46Å; E1547-L1549 PolarHBondContact O-N 3.17Å; E1547-Y1571 WeakPolarHBondContact O-CE1 3.45Å |
| 1548 | P | 80.9 | Confident | 76.6 | Confident | 29 Ų | 29 | 85.7 Ų | 85.7 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 129.1 | 170.5 | -22.1 | 33.5 | 0 | 0 | 0 | 112.1 | T1550 R1572 L1575 M1581 | P1548-T1550 PolarHBondContact O-N 3.5Å; P1548-R1572 HydrophobicContact CB-CG 3.86Å; P1548-R1572 HydrophobicContact CG-CG 4.39Å; P1548-L1575 HydrophobicContact CB-CD1 4.4Å; P1548-L1575 HydrophobicContact CG-CD1 4.25Å; P1548-M1581 HydrophobicContact CG-CE 3.48Å; P1548-M1581 VanDerWaalsContact CG-CE 3.48Å; P1548-M1581 HydrophobicContact CG-SD 3.89Å |
| 1549 | L | 81.9 | Confident | 78.5 | Confident | 19 Ų | 19 | 80.9 Ų | 80.9 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -49.6 | 129.4 | 164.7 | -78.3 | 179.1 | 0 | 0 | 0 | 110.9 | E1547 K1551 L1553 V1568 Y1571 Q1614 | E1547-L1549 PolarHBondContact O-N 3.17Å; L1549-K1551 WeakPolarHBondContact CB-O 3.41Å; L1549-L1553 HydrophobicContact CD1-CD1 4.44Å; L1549-L1553 HydrophobicContact CD1-CD2 3.85Å; L1549-L1553 HydrophobicContact CD1-CG 3.82Å; L1549-L1553 HydrophobicContact CD2-CD2 3.89Å; L1549-V1568 WeakPolarHBondContact O-CG1 3.25Å; L1549-Y1571 HydrophobicContact CB-CD1 3.78Å; L1549-Y1571 HydrophobicContact CB-CE1 4.18Å; L1549-Y1571 HydrophobicContact CB-CG 4.03Å; L1549-Y1571 HydrophobicContact CD1-CD1 4.11Å; L1549-Y1571 HydrophobicContact CD1-CD2 3.51Å; L1549-Y1571 HydrophobicContact CD1-CE1 4.37Å; L1549-Y1571 HydrophobicContact CD1-CE2 3.81Å; L1549-Y1571 HydrophobicContact CD1-CG 3.64Å; L1549-Y1571 HydrophobicContact CG-CD1 3.73Å; L1549-Y1571 HydrophobicContact CG-CD2 3.98Å; L1549-Y1571 HydrophobicContact CG-CE1 3.75Å; L1549-Y1571 HydrophobicContact CG-CE2 4.01Å; L1549-Y1571 HydrophobicContact CG-CG 3.81Å; L1549-Q1614 HydrophobicContact CD1-CG 4.29Å |
| 1550 | T | 81 | Confident | 80.4 | Confident | 123 Ų | 123 | 76.7 Ų | 76.7 | 76% | 0.755 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -89.8 | -17.7 | 170.4 | 53.4 | 0 | 0 | 0 | 0 | 112.3 | P1548 | P1548-T1550 PolarHBondContact O-N 3.5Š|
| 1551 | K | 84.3 | Confident | 81.4 | Confident | 118 Ų | 118 | 72.8 Ų | 72.8 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -141.9 | 157.3 | 179.9 | -69.9 | -178.1 | 161 | -151.6 | 0 | 110 | L1549 E1558 | L1549-K1551 WeakPolarHBondContact CB-O 3.41Å; K1551-E1558 WeakPolarHBondContact CD-OE1 3.22Å; K1551-E1558 VanDerWaalsContact CE-OE1 3.32Å; K1551-E1558 WeakPolarHBondContact CE-OE1 3.4Å; K1551-E1558 IonicContact NZ-OE1 3.32Å; K1551-E1558 PolarHBondContact NZ-OE1 3.29Å |
| 1552 | P | 88.6 | Confident | 82 | Confident | 14 Ų | 14 | 67.6 Ų | 67.6 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | trans | -63.2 | 163.1 | 174.4 | -20.5 | 34.5 | 0 | 0 | 0 | 113 | V1557 E1558 S1564 A1567 E1610 | P1552-V1557 HydrophobicContact CB-CB 4.08Å; P1552-V1557 HydrophobicContact CB-CG1 3.81Å; P1552-V1557 HydrophobicContact CG-CB 4.41Å; P1552-V1557 HydrophobicContact CG-CG1 3.83Å; P1552-E1558 HydrophobicContact CG-CB 4.37Å; P1552-S1564 WeakPolarHBondContact CD-OG 3.47Å; P1552-S1564 VanDerWaalsContact CG-CA 3.47Å; P1552-S1564 WeakPolarHBondContact CG-OG 3.41Å; P1552-A1567 HydrophobicContact CB-CB 4.05Å; P1552-A1567 HydrophobicContact CG-CB 3.99Å; P1552-E1610 WeakPolarHBondContact CA-OE1 3.31Å | ||
| 1553 | L | 87.5 | Confident | 82.4 | Confident | 48 Ų | 48 | 58.4 Ų | 58.4 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -76.5 | -36.1 | 171.4 | -60.5 | 177 | 0 | 0 | 0 | 111.6 | L1549 E1610 C1613 Q1614 K1617 | L1549-L1553 HydrophobicContact CD1-CD1 4.44Å; L1549-L1553 HydrophobicContact CD1-CD2 3.85Å; L1549-L1553 HydrophobicContact CD1-CG 3.82Å; L1549-L1553 HydrophobicContact CD2-CD2 3.89Å; L1553-E1610 PolarHBondContact N-OE1 2.77Å; L1553-E1610 PolarHBondContact N-OE2 2.9Å; L1553-C1613 HydrophobicContact CB-CB 4.47Å; L1553-C1613 HydrophobicContact CD1-CB 3.97Å; L1553-Q1614 HydrophobicContact CD1-CB 4.47Å; L1553-Q1614 HydrophobicContact CD1-CG 3.86Å; L1553-Q1614 HydrophobicContact CG-CG 4.39Å; L1553-K1617 HydrophobicContact CD1-CB 4.18Å; L1553-K1617 HydrophobicContact CD1-CD 3.97Å; L1553-K1617 HydrophobicContact CD2-CD 3.88Å |
| 1554 | L | 88.3 | Confident | 82.5 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | trans | -93.8 | 121 | -178 | -62.7 | 172.4 | 0 | 0 | 0 | 111.6 | K1556 V1557 E1558 D1609 E1610 | L1554-K1556 HydrophobicContact CB-CG 3.99Å; L1554-K1556 PolarHBondContact O-N 3.41Å; L1554-K1556 VanDerWaalsContact O-N 3.17Å; L1554-V1557 HydrophobicContact CB-CB 4.25Å; L1554-V1557 HydrophobicContact CB-CG2 4.17Å; L1554-V1557 CarbonylContact O-C 3.59Å; L1554-V1557 WeakPolarHBondContact O-CA 3.1Å; L1554-V1557 WeakPolarHBondContact O-CB 3.31Å; L1554-V1557 PolarHBondContact O-N 2.95Å; L1554-E1558 PolarHBondContact O-N 3.08Å; L1554-D1609 HydrophobicContact CD1-CB 3.63Å; L1554-E1610 VanDerWaalsContact CB-OE2 3.31Å; L1554-E1610 WeakPolarHBondContact CB-OE2 3.42Å; L1554-E1610 HydrophobicContact CD1-CB 4.11Å; L1554-E1610 WeakPolarHBondContact CG-OE2 3.45Å; L1554-E1610 PolarHBondContact N-OE2 3.07Å | ||
| 1555 | K | 82.2 | Confident | 82.5 | Confident | 166 Ų | 166 | 56.9 Ų | 56.9 | 72% | 0.722 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -52.5 | -36.6 | 172.2 | -86.1 | -174.4 | 172.3 | -179.2 | 0 | 113.5 | V1557 E1558 Q1559 | K1555-V1557 PolarHBondContact O-N 3.05Å; K1555-E1558 PolarHBondContact O-N 3.12Å; K1555-Q1559 PolarHBondContact O-N 3.47Å; K1555-Q1559 VanDerWaalsContact O-N 3.11Å |
| 1556 | K | 82.4 | Confident | 82.8 | Confident | 95 Ų | 95 | 56.9 Ų | 56.9 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.5 | -12.7 | 174.7 | 61.2 | 175.8 | -178.5 | -179.9 | 0 | 113.8 | L1554 I1560 D1609 | L1554-K1556 HydrophobicContact CB-CG 3.99Å; L1554-K1556 PolarHBondContact O-N 3.41Å; L1554-K1556 VanDerWaalsContact O-N 3.17Å; K1556-I1560 WeakPolarHBondContact O-CD1 3.43Å; K1556-I1560 WeakPolarHBondContact O-CG1 3.41Å; K1556-D1609 IonicContact NZ-OD2 3.59Å; K1556-D1609 PolarHBondContact NZ-OD2 3.23Å |
| 1557 | V | 85.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -104.1 | -32 | 171.2 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | P1552 L1554 K1555 Q1559 I1560 A1563 S1564 A1567 V1606 L1607 E1610 | P1552-V1557 HydrophobicContact CB-CB 4.08Å; P1552-V1557 HydrophobicContact CB-CG1 3.81Å; P1552-V1557 HydrophobicContact CG-CB 4.41Å; P1552-V1557 HydrophobicContact CG-CG1 3.83Å; L1554-V1557 HydrophobicContact CB-CB 4.25Å; L1554-V1557 HydrophobicContact CB-CG2 4.17Å; L1554-V1557 CarbonylContact O-C 3.59Å; L1554-V1557 WeakPolarHBondContact O-CA 3.1Å; L1554-V1557 WeakPolarHBondContact O-CB 3.31Å; L1554-V1557 PolarHBondContact O-N 2.95Å; K1555-V1557 PolarHBondContact O-N 3.05Å; V1557-Q1559 VanDerWaalsContact C-N 3.32Å; V1557-Q1559 PolarHBondContact O-N 3.36Å; V1557-I1560 CarbonylContact O-C 3.59Å; V1557-I1560 PolarHBondContact O-N 3.11Å; V1557-I1560 VanDerWaalsContact O-N 3.09Å; V1557-A1563 HydrophobicContact CG1-CB 3.78Å; V1557-S1564 WeakPolarHBondContact O-CA 3.37Å; V1557-S1564 VanDerWaalsContact O-CB 3.32Å; V1557-S1564 WeakPolarHBondContact O-CB 3.44Å; V1557-S1564 PolarHBondContact O-N 3.27Å; V1557-A1567 HydrophobicContact CG1-CB 4.03Å; V1557-V1606 WeakPolarHBondContact CG2-O 3.37Å; V1557-L1607 HydrophobicContact CG1-CD2 3.93Å; V1557-E1610 HydrophobicContact CG1-CG 4.32Å; V1557-E1610 HydrophobicContact CG2-CB 4.17Å |
| 1558 | E | 80.7 | Confident | 84.1 | Confident | 60 Ų | 60 | 48.6 Ų | 48.6 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.9 | -43.7 | 172.9 | -170.6 | -177.2 | -169.1 | 0 | 0 | 112.3 | K1551 P1552 L1554 K1555 I1560 S1564 | K1551-E1558 WeakPolarHBondContact CD-OE1 3.22Å; K1551-E1558 VanDerWaalsContact CE-OE1 3.32Å; K1551-E1558 WeakPolarHBondContact CE-OE1 3.4Å; K1551-E1558 IonicContact NZ-OE1 3.32Å; K1551-E1558 PolarHBondContact NZ-OE1 3.29Å; P1552-E1558 HydrophobicContact CG-CB 4.37Å; L1554-E1558 PolarHBondContact O-N 3.08Å; K1555-E1558 PolarHBondContact O-N 3.12Å; E1558-I1560 VanDerWaalsContact C-N 3.34Å; E1558-S1564 WeakPolarHBondContact O-CB 3.49Å; E1558-S1564 PolarHBondContact O-OG 3.34Å |
| 1559 | Q | 76.7 | Confident | 84.5 | Confident | 154 Ų | 154 | 48.7 Ų | 48.7 | 72% | 0.72 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -72 | -24 | 175.4 | -67.9 | -179.8 | -16.3 | 0 | 0 | 113.9 | K1555 V1557 D1561 | K1555-Q1559 PolarHBondContact O-N 3.47Å; K1555-Q1559 VanDerWaalsContact O-N 3.11Å; V1557-Q1559 VanDerWaalsContact C-N 3.32Å; V1557-Q1559 PolarHBondContact O-N 3.36Å; Q1559-D1561 VanDerWaalsContact C-N 3.33Å; Q1559-D1561 PolarHBondContact O-N 2.62Å; Q1559-D1561 VanDerWaalsContact O-N 3.16Å |
| 1560 | I | 82.5 | Confident | 85.1 | Confident | 38 Ų | 38 | 47.8 Ų | 47.8 | 20% | 0.195 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -88.8 | 81.1 | 178.3 | -62.9 | -176.6 | 0 | 0 | 0 | 106.6 | L751 K1556 V1557 E1558 E1562 A1563 S1564 V1606 | L751-I1560 HydrophobicContact CD1-CB 3.83Å; L751-I1560 HydrophobicContact CD1-CG1 3.95Å; L751-I1560 HydrophobicContact CD1-CG2 3.47Å; L751-I1560 VanDerWaalsContact CD1-CG2 3.47Å; K1556-I1560 WeakPolarHBondContact O-CD1 3.43Å; K1556-I1560 WeakPolarHBondContact O-CG1 3.41Å; V1557-I1560 CarbonylContact O-C 3.59Å; V1557-I1560 PolarHBondContact O-N 3.11Å; V1557-I1560 VanDerWaalsContact O-N 3.09Å; E1558-I1560 VanDerWaalsContact C-N 3.34Å; I1560-E1562 VanDerWaalsContact C-N 3.27Å; I1560-E1562 PolarHBondContact O-N 3.27Å; I1560-A1563 HydrophobicContact CB-CB 4.03Å; I1560-A1563 HydrophobicContact CG2-CB 3.46Å; I1560-A1563 VanDerWaalsContact CG2-CB 3.46Å; I1560-A1563 CarbonylContact O-C 3.49Å; I1560-A1563 WeakPolarHBondContact O-CA 3.44Å; I1560-A1563 WeakPolarHBondContact O-CB 3.42Å; I1560-A1563 PolarHBondContact O-N 3.28Å; I1560-S1564 PolarHBondContact O-N 3.05Å; I1560-V1606 HydrophobicContact CD1-CB 3.96Å; I1560-V1606 HydrophobicContact CD1-CG1 3.71Å; I1560-V1606 HydrophobicContact CD1-CG2 3.85Å; I1560-V1606 HydrophobicContact CG2-CG2 4.06Å |
| 1561 | D | 77 | Confident | 85.7 | Confident | 45 Ų | 45 | 42 Ų | 42 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -31.7 | -154.6 | -156.5 | 49.7 | 0 | 0 | 0 | 112.4 | R747 A750 Q1559 S1564 R1565 | R747-D1561 HydrophobicContact CB-CB 3.64Å; R747-D1561 WeakPolarHBondContact CB-O 3.49Å; R747-D1561 VanDerWaalsContact CB-OD2 3.27Å; R747-D1561 WeakPolarHBondContact CB-OD2 3.33Å; R747-D1561 VanDerWaalsContact CD-O 3.3Å; R747-D1561 WeakPolarHBondContact CD-O 3.03Å; R747-D1561 HydrophobicContact CG-CB 4.4Å; R747-D1561 WeakPolarHBondContact CG-OD2 3.39Å; R747-D1561 VanDerWaalsContact CZ-O 3.25Å; R747-D1561 IonicContact CZ-OD1 2.65Å; R747-D1561 IonicContact CZ-OD2 2.7Å; R747-D1561 PolarHBondContact NE-O 3.02Å; R747-D1561 VanDerWaalsContact NE-O 3.07Å; R747-D1561 IonicContact NE-OD1 2.7Å; R747-D1561 PolarHBondContact NE-OD1 2.67Å; R747-D1561 VanDerWaalsContact NE-OD1 3.09Å; R747-D1561 IonicContact NE-OD2 2.91Å; R747-D1561 PolarHBondContact NE-OD2 3.28Å; R747-D1561 IonicContact NH2-OD1 3.24Å; R747-D1561 PolarHBondContact NH2-OD1 3.22Å; R747-D1561 IonicContact NH2-OD2 2.97Å; R747-D1561 CarbonylContact O-C 3.59Å; R747-D1561 WeakPolarHBondContact O-CA 3.49Å; R747-D1561 WeakPolarHBondContact O-CB 3.42Å; R747-D1561 PolarHBondContact O-N 2.93Å; A750-D1561 HydrophobicContact CB-CB 4.49Å; Q1559-D1561 VanDerWaalsContact C-N 3.33Å; Q1559-D1561 PolarHBondContact O-N 2.62Å; Q1559-D1561 VanDerWaalsContact O-N 3.16Å; D1561-S1564 WeakPolarHBondContact O-CB 3.37Å; D1561-S1564 PolarHBondContact O-N 3.06Å; D1561-R1565 PolarHBondContact O-N 2.97Å; D1561-R1565 VanDerWaalsContact O-N 3.16Å |
| 1562 | E | 81.5 | Confident | 85.9 | Confident | 16 Ų | 16 | 42 Ų | 42 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -51.1 | 171.3 | 173.5 | 156.1 | -162.9 | 0 | 0 | 111.6 | G744 R747 L748 I1560 S1564 R1565 M1566 Q1604 | G744-E1562 VanDerWaalsContact CA-CG 3.42Å; G744-E1562 WeakPolarHBondContact CA-OE1 3.4Å; G744-E1562 WeakPolarHBondContact O-CB 3.32Å; R747-E1562 HydrophobicContact CB-CB 4.42Å; R747-E1562 VanDerWaalsContact CB-N 3.25Å; R747-E1562 PolarHBondContact O-N 2.89Å; L748-E1562 HydrophobicContact CB-CB 4.38Å; L748-E1562 HydrophobicContact CD1-CB 4.08Å; I1560-E1562 VanDerWaalsContact C-N 3.27Å; I1560-E1562 PolarHBondContact O-N 3.27Å; E1562-S1564 PolarHBondContact O-N 2.82Å; E1562-R1565 WeakPolarHBondContact O-CB 3.32Å; E1562-R1565 PolarHBondContact O-N 3.34Å; E1562-R1565 IonicContact OE1-NH2 3.21Å; E1562-M1566 HydrophobicContact CG-CG 4.2Å; E1562-M1566 PolarHBondContact O-N 2.91Å; E1562-Q1604 PolarHBondContact OE2-NE2 2.88Å |
| 1563 | A | 81.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.7 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1557 I1560 R1565 M1566 A1567 V1606 L1607 | V1557-A1563 HydrophobicContact CG1-CB 3.78Å; I1560-A1563 HydrophobicContact CB-CB 4.03Å; I1560-A1563 HydrophobicContact CG2-CB 3.46Å; I1560-A1563 VanDerWaalsContact CG2-CB 3.46Å; I1560-A1563 CarbonylContact O-C 3.49Å; I1560-A1563 WeakPolarHBondContact O-CA 3.44Å; I1560-A1563 WeakPolarHBondContact O-CB 3.42Å; I1560-A1563 PolarHBondContact O-N 3.28Å; A1563-R1565 PolarHBondContact O-N 3.33Å; A1563-M1566 PolarHBondContact O-N 2.84Å; A1563-M1566 VanDerWaalsContact O-N 3.13Å; A1563-A1567 WeakPolarHBondContact O-CB 3.45Å; A1563-A1567 PolarHBondContact O-N 3.39Å; A1563-V1606 HydrophobicContact CB-CG2 4.09Å; A1563-L1607 HydrophobicContact CB-CD1 4.21Å; A1563-L1607 HydrophobicContact CB-CD2 3.7Å; A1563-L1607 HydrophobicContact CB-CG 3.73Å; A1563-L1607 WeakPolarHBondContact O-CD2 3.45Å |
| 1564 | S | 86.4 | Confident | 86.1 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.9 | -37.2 | 174.1 | -168.5 | 0 | 0 | 0 | 0 | 112.7 | R747 P1552 V1557 E1558 I1560 D1561 E1562 V1568 | R747-S1564 PolarHBondContact NH2-OG 2.85Å; P1552-S1564 WeakPolarHBondContact CD-OG 3.47Å; P1552-S1564 VanDerWaalsContact CG-CA 3.47Å; P1552-S1564 WeakPolarHBondContact CG-OG 3.41Å; V1557-S1564 WeakPolarHBondContact O-CA 3.37Å; V1557-S1564 VanDerWaalsContact O-CB 3.32Å; V1557-S1564 WeakPolarHBondContact O-CB 3.44Å; V1557-S1564 PolarHBondContact O-N 3.27Å; E1558-S1564 WeakPolarHBondContact O-CB 3.49Å; E1558-S1564 PolarHBondContact O-OG 3.34Å; I1560-S1564 PolarHBondContact O-N 3.05Å; D1561-S1564 WeakPolarHBondContact O-CB 3.37Å; D1561-S1564 PolarHBondContact O-N 3.06Å; E1562-S1564 PolarHBondContact O-N 2.82Å; S1564-V1568 WeakPolarHBondContact O-CG2 3.44Å |
| 1565 | R | 85.2 | Confident | 86.2 | Confident | 13 Ų | 13 | 37.7 Ų | 37.7 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -78.7 | -46.4 | 174 | -160.5 | -173.2 | 43.1 | 57 | 6.8 | 113 | M741 L743 R747 D1561 E1562 A1563 A1567 V1568 L1569 | M741-R1565 VanDerWaalsContact N-NH2 3.14Å; L743-R1565 WeakPolarHBondContact O-CD 3.23Å; L743-R1565 PolarHBondContact O-NE 3.39Å; R747-R1565 VanDerWaalsContact NH1-CA 3.3Å; D1561-R1565 PolarHBondContact O-N 2.97Å; D1561-R1565 VanDerWaalsContact O-N 3.16Å; E1562-R1565 WeakPolarHBondContact O-CB 3.32Å; E1562-R1565 PolarHBondContact O-N 3.34Å; E1562-R1565 IonicContact OE1-NH2 3.21Å; A1563-R1565 PolarHBondContact O-N 3.33Å; R1565-A1567 VanDerWaalsContact C-N 3.28Å; R1565-A1567 PolarHBondContact O-N 3.02Å; R1565-V1568 PolarHBondContact O-N 2.74Å; R1565-L1569 HydrophobicContact CG-CD1 3.97Å; R1565-L1569 WeakPolarHBondContact O-CD1 3.35Å; R1565-L1569 PolarHBondContact O-N 2.82Å |
| 1566 | M | 90 | Very high | 86.4 | Confident | 19 Ų | 19 | 34.2 Ų | 34.2 | 9% | 0.094 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | -178.2 | -68.7 | -58.4 | -140.3 | 0 | 0 | 110.4 | V740 M741 E1562 A1563 V1568 L1569 M1570 P1600 L1607 | V740-M1566 HydrophobicContact CG1-SD 4.08Å; M741-M1566 HydrophobicContact CB-CE 4.08Å; M741-M1566 HydrophobicContact CG-CE 4.5Å; E1562-M1566 HydrophobicContact CG-CG 4.2Å; E1562-M1566 PolarHBondContact O-N 2.91Å; A1563-M1566 PolarHBondContact O-N 2.84Å; A1563-M1566 VanDerWaalsContact O-N 3.13Å; M1566-V1568 PolarHBondContact O-N 2.78Å; M1566-L1569 CarbonylContact O-C 3.46Å; M1566-L1569 PolarHBondContact O-N 3.18Å; M1566-M1570 HydrophobicContact CB-SD 4.25Å; M1566-M1570 WeakPolarHBondContact O-CB 3.35Å; M1566-M1570 WeakPolarHBondContact O-CG 3.38Å; M1566-M1570 PolarHBondContact O-N 3.25Å; M1566-P1600 HydrophobicContact CB-CB 3.81Å; M1566-P1600 HydrophobicContact CB-CG 4.38Å; M1566-P1600 HydrophobicContact CE-CB 4.38Å; M1566-P1600 HydrophobicContact CE-CG 4.41Å; M1566-P1600 HydrophobicContact CG-CB 4.05Å; M1566-P1600 HydrophobicContact SD-CB 4.33Å; M1566-P1600 HydrophobicContact SD-CG 4.25Å; M1566-L1607 HydrophobicContact CB-CD1 3.56Å; M1566-L1607 HydrophobicContact CB-CD2 4.47Å; M1566-L1607 HydrophobicContact CG-CD1 4.27Å |
| 1567 | A | 91.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -51.4 | -49.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1552 V1557 A1563 R1565 L1569 M1570 Y1571 L1607 E1610 Q1614 | P1552-A1567 HydrophobicContact CB-CB 4.05Å; P1552-A1567 HydrophobicContact CG-CB 3.99Å; V1557-A1567 HydrophobicContact CG1-CB 4.03Å; A1563-A1567 WeakPolarHBondContact O-CB 3.45Å; A1563-A1567 PolarHBondContact O-N 3.39Å; R1565-A1567 VanDerWaalsContact C-N 3.28Å; R1565-A1567 PolarHBondContact O-N 3.02Å; A1567-L1569 PolarHBondContact O-N 2.84Å; A1567-M1570 PolarHBondContact O-N 3.05Å; A1567-Y1571 WeakPolarHBondContact O-CB 3.11Å; A1567-Y1571 PolarHBondContact O-N 2.9Å; A1567-L1607 HydrophobicContact CB-CD2 3.99Å; A1567-E1610 HydrophobicContact CB-CG 3.65Å; A1567-Q1614 PolarHBondContact O-NE2 2.6Å; A1567-Q1614 PolarHBondContact O-OE1 2.94Å |
| 1568 | V | 90.7 | Very high | 87 | Confident | 23 Ų | 23 | 30 Ų | 30 | 14% | 0.139 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.5 | -31.6 | 177.6 | 160.3 | 0 | 0 | 0 | 0 | 112.3 | L1549 S1564 R1565 M1566 R1572 | L1549-V1568 WeakPolarHBondContact O-CG1 3.25Å; S1564-V1568 WeakPolarHBondContact O-CG2 3.44Å; R1565-V1568 PolarHBondContact O-N 2.74Å; M1566-V1568 PolarHBondContact O-N 2.78Å; V1568-R1572 WeakPolarHBondContact O-CG 3.5Å; V1568-R1572 PolarHBondContact O-N 2.73Å |
| 1569 | L | 89.9 | Confident | 86.8 | Confident | 31 Ų | 31 | 30.8 Ų | 30.8 | 16% | 0.162 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -89.2 | -33.6 | -178.4 | -70.9 | 151.6 | 0 | 0 | 0 | 113.2 | V740 R1565 M1566 A1567 Y1571 R1572 A1573 | V740-L1569 HydrophobicContact CB-CD1 4.17Å; V740-L1569 HydrophobicContact CG1-CD1 3.84Å; V740-L1569 HydrophobicContact CG2-CD1 3.35Å; V740-L1569 HydrophobicContact CG2-CD2 3.91Å; V740-L1569 HydrophobicContact CG2-CG 4.24Å; R1565-L1569 HydrophobicContact CG-CD1 3.97Å; R1565-L1569 WeakPolarHBondContact O-CD1 3.35Å; R1565-L1569 PolarHBondContact O-N 2.82Å; M1566-L1569 CarbonylContact O-C 3.46Å; M1566-L1569 PolarHBondContact O-N 3.18Å; A1567-L1569 PolarHBondContact O-N 2.84Å; L1569-Y1571 VanDerWaalsContact C-N 3.3Å; L1569-R1572 PolarHBondContact O-N 3.24Å; L1569-A1573 PolarHBondContact O-N 3.4Å |
| 1570 | M | 93.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.7 | -48.2 | 165.9 | -68.6 | 156.6 | 57.2 | 0 | 0 | 109 | M1566 A1567 R1572 A1573 V1574 V1597 P1600 A1601 L1607 V1611 | M1566-M1570 HydrophobicContact CB-SD 4.25Å; M1566-M1570 WeakPolarHBondContact O-CB 3.35Å; M1566-M1570 WeakPolarHBondContact O-CG 3.38Å; M1566-M1570 PolarHBondContact O-N 3.25Å; A1567-M1570 PolarHBondContact O-N 3.05Å; M1570-R1572 PolarHBondContact O-N 3.22Å; M1570-A1573 CarbonylContact O-C 3.55Å; M1570-A1573 WeakPolarHBondContact O-CA 3.37Å; M1570-A1573 WeakPolarHBondContact O-CB 3.18Å; M1570-A1573 PolarHBondContact O-N 2.8Å; M1570-V1574 WeakPolarHBondContact O-CG2 3.26Å; M1570-V1574 PolarHBondContact O-N 3.47Å; M1570-V1597 WeakPolarHBondContact CG-O 3.23Å; M1570-P1600 HydrophobicContact CG-CB 4.36Å; M1570-P1600 HydrophobicContact CG-CG 4.03Å; M1570-P1600 HydrophobicContact SD-CB 3.78Å; M1570-P1600 HydrophobicContact SD-CG 4.14Å; M1570-A1601 HydrophobicContact CE-CB 4.07Å; M1570-L1607 HydrophobicContact CE-CB 4.32Å; M1570-L1607 HydrophobicContact CE-CD2 4.4Å; M1570-L1607 HydrophobicContact SD-CB 4.44Å; M1570-L1607 HydrophobicContact SD-CD1 4Å; M1570-L1607 HydrophobicContact SD-CD2 3.98Å; M1570-L1607 HydrophobicContact SD-CG 4.39Å; M1570-V1611 HydrophobicContact CE-CB 3.5Å; M1570-V1611 HydrophobicContact CE-CG2 3.57Å |
| 1571 | Y | 93.3 | Very high | 85 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 176 | -166.8 | -98.8 | 0 | 0 | 0 | 112.9 | E1547 L1549 A1567 L1569 A1573 V1574 L1575 Q1614 K1617 Q1618 | E1547-Y1571 WeakPolarHBondContact O-CE1 3.45Å; L1549-Y1571 HydrophobicContact CB-CD1 3.78Å; L1549-Y1571 HydrophobicContact CB-CE1 4.18Å; L1549-Y1571 HydrophobicContact CB-CG 4.03Å; L1549-Y1571 HydrophobicContact CD1-CD1 4.11Å; L1549-Y1571 HydrophobicContact CD1-CD2 3.51Å; L1549-Y1571 HydrophobicContact CD1-CE1 4.37Å; L1549-Y1571 HydrophobicContact CD1-CE2 3.81Å; L1549-Y1571 HydrophobicContact CD1-CG 3.64Å; L1549-Y1571 HydrophobicContact CG-CD1 3.73Å; L1549-Y1571 HydrophobicContact CG-CD2 3.98Å; L1549-Y1571 HydrophobicContact CG-CE1 3.75Å; L1549-Y1571 HydrophobicContact CG-CE2 4.01Å; L1549-Y1571 HydrophobicContact CG-CG 3.81Å; A1567-Y1571 WeakPolarHBondContact O-CB 3.11Å; A1567-Y1571 PolarHBondContact O-N 2.9Å; L1569-Y1571 VanDerWaalsContact C-N 3.3Å; Y1571-A1573 PolarHBondContact O-N 3.25Å; Y1571-V1574 PolarHBondContact O-N 2.76Å; Y1571-L1575 HydrophobicContact CD1-CD1 3.8Å; Y1571-L1575 HydrophobicContact CD1-CG 4.07Å; Y1571-L1575 HydrophobicContact CE1-CD1 3.61Å; Y1571-L1575 HydrophobicContact CE1-CD2 4.21Å; Y1571-L1575 HydrophobicContact CE1-CG 3.87Å; Y1571-L1575 WeakPolarHBondContact O-CG 3.08Å; Y1571-L1575 PolarHBondContact O-N 2.96Å; Y1571-Q1614 HydrophobicContact CD2-CB 3.97Å; Y1571-Q1614 HydrophobicContact CD2-CG 3.83Å; Y1571-Q1614 VanDerWaalsContact N-OE1 3.12Å; Y1571-K1617 HydrophobicContact CE2-CD 4.11Å; Y1571-K1617 VanDerWaalsContact OH-CE 3.24Å; Y1571-K1617 WeakPolarHBondContact OH-CE 3.38Å; Y1571-Q1618 HydrophobicContact CE2-CG 3.97Å; Y1571-Q1618 PolarHBondContact OH-NE2 3.37Å |
| 1572 | R | 89.1 | Confident | 83.7 | Confident | 119 Ų | 119 | 26.7 Ų | 26.7 | 45% | 0.449 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -63.6 | -27.2 | 172.3 | -77.3 | 178.1 | 175.3 | -163.9 | -3.7 | 113.3 | P1548 V1568 L1569 M1570 K1576 | P1548-R1572 HydrophobicContact CB-CG 3.86Å; P1548-R1572 HydrophobicContact CG-CG 4.39Å; V1568-R1572 WeakPolarHBondContact O-CG 3.5Å; V1568-R1572 PolarHBondContact O-N 2.73Å; L1569-R1572 PolarHBondContact O-N 3.24Å; M1570-R1572 PolarHBondContact O-N 3.22Å; R1572-K1576 WeakPolarHBondContact O-CG 3.13Å; R1572-K1576 PolarHBondContact O-N 2.97Å |
| 1573 | A | 89.6 | Confident | 81.9 | Confident | 6 Ų | 6 | 33 Ų | 33 | 5% | 0.05 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -79.9 | -38.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1569 M1570 Y1571 K1576 Y1577 V1597 | L1569-A1573 PolarHBondContact O-N 3.4Å; M1570-A1573 CarbonylContact O-C 3.55Å; M1570-A1573 WeakPolarHBondContact O-CA 3.37Å; M1570-A1573 WeakPolarHBondContact O-CB 3.18Å; M1570-A1573 PolarHBondContact O-N 2.8Å; Y1571-A1573 PolarHBondContact O-N 3.25Å; A1573-K1576 PolarHBondContact O-N 3.35Å; A1573-Y1577 WeakPolarHBondContact O-CB 3.47Å; A1573-Y1577 PolarHBondContact O-N 3.44Å; A1573-V1597 HydrophobicContact CB-CG2 3.55Å |
| 1574 | V | 91.8 | Very high | 79.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.7 | -51.9 | 170.3 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | M1570 Y1571 K1576 Y1577 M1578 V1597 I1615 Q1618 L1634 | M1570-V1574 WeakPolarHBondContact O-CG2 3.26Å; M1570-V1574 PolarHBondContact O-N 3.47Å; Y1571-V1574 PolarHBondContact O-N 2.76Å; V1574-K1576 VanDerWaalsContact C-N 3.28Å; V1574-K1576 PolarHBondContact O-N 2.85Å; V1574-Y1577 WeakPolarHBondContact O-CB 3.25Å; V1574-Y1577 PolarHBondContact O-N 2.95Å; V1574-Y1577 VanDerWaalsContact O-N 3.11Å; V1574-M1578 HydrophobicContact CG1-CG 4.42Å; V1574-M1578 HydrophobicContact CG1-SD 3.52Å; V1574-M1578 VanDerWaalsContact CG1-SD 3.52Å; V1574-M1578 WeakPolarHBondContact O-CB 3.3Å; V1574-M1578 WeakPolarHBondContact O-CG 3.14Å; V1574-M1578 PolarHBondContact O-N 3.24Å; V1574-V1597 HydrophobicContact CG2-CG1 4.04Å; V1574-V1597 HydrophobicContact CG2-CG2 3.88Å; V1574-I1615 HydrophobicContact CG2-CG1 4.37Å; V1574-Q1618 HydrophobicContact CG1-CB 4.4Å; V1574-Q1618 HydrophobicContact CG1-CG 4.12Å; V1574-L1634 HydrophobicContact CB-CD1 4.37Å; V1574-L1634 HydrophobicContact CG1-CD1 4.02Å; V1574-L1634 HydrophobicContact CG2-CD1 4.22Å |
| 1575 | L | 89.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.7 | -38.3 | 176.2 | -74.4 | 176.6 | 0 | 0 | 0 | 113 | P1548 Y1571 S1580 M1581 | P1548-L1575 HydrophobicContact CB-CD1 4.4Å; P1548-L1575 HydrophobicContact CG-CD1 4.25Å; Y1571-L1575 HydrophobicContact CD1-CD1 3.8Å; Y1571-L1575 HydrophobicContact CD1-CG 4.07Å; Y1571-L1575 HydrophobicContact CE1-CD1 3.61Å; Y1571-L1575 HydrophobicContact CE1-CD2 4.21Å; Y1571-L1575 HydrophobicContact CE1-CG 3.87Å; Y1571-L1575 WeakPolarHBondContact O-CG 3.08Å; Y1571-L1575 PolarHBondContact O-N 2.96Å; L1575-S1580 PolarHBondContact O-N 3.35Å; L1575-M1581 HydrophobicContact CB-CB 4.08Å; L1575-M1581 PolarHBondContact O-N 2.89Å |
| 1576 | K | 87.2 | Confident | 76 | Confident | 94 Ų | 94 | 45 Ų | 45 | 41% | 0.409 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -78.3 | -26.5 | 177.6 | -77.3 | -164.2 | 174.4 | -143 | 0 | 113.9 | R1572 A1573 V1574 M1581 L1593 | R1572-K1576 WeakPolarHBondContact O-CG 3.13Å; R1572-K1576 PolarHBondContact O-N 2.97Å; A1573-K1576 PolarHBondContact O-N 3.35Å; V1574-K1576 VanDerWaalsContact C-N 3.28Å; V1574-K1576 PolarHBondContact O-N 2.85Å; K1576-M1581 HydrophobicContact CG-CB 4.39Å; K1576-L1593 HydrophobicContact CB-CD1 4.47Å; K1576-L1593 HydrophobicContact CB-CD2 3.82Å |
| 1577 | Y | 89.6 | Confident | 74.3 | Confident | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.02 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.6 | -51.6 | 172.5 | -170.3 | -78.9 | 0 | 0 | 0 | 109.6 | A1573 V1574 D1579 V1590 L1593 T1594 K1630 E1633 L1634 Q1693 | A1573-Y1577 WeakPolarHBondContact O-CB 3.47Å; A1573-Y1577 PolarHBondContact O-N 3.44Å; V1574-Y1577 WeakPolarHBondContact O-CB 3.25Å; V1574-Y1577 PolarHBondContact O-N 2.95Å; V1574-Y1577 VanDerWaalsContact O-N 3.11Å; Y1577-D1579 PolarHBondContact O-N 3.03Å; Y1577-V1590 HydrophobicContact CD2-CG1 4.26Å; Y1577-V1590 HydrophobicContact CE2-CG1 3.42Å; Y1577-V1590 VanDerWaalsContact CE2-CG1 3.42Å; Y1577-L1593 HydrophobicContact CD2-CB 4.09Å; Y1577-L1593 HydrophobicContact CD2-CD1 4.5Å; Y1577-T1594 HydrophobicContact CD2-CG2 4.1Å; Y1577-T1594 HydrophobicContact CE2-CG2 3.57Å; Y1577-K1630 HydrophobicContact CD1-CB 3.94Å; Y1577-K1630 HydrophobicContact CD1-CD 4.29Å; Y1577-K1630 HydrophobicContact CE1-CB 3.9Å; Y1577-K1630 HydrophobicContact CE1-CD 4.35Å; Y1577-K1630 HydrophobicContact CE1-CG 4.27Å; Y1577-K1630 WeakPolarHBondContact CE1-O 3.33Å; Y1577-K1630 WeakPolarHBondContact O-CD 3.2Å; Y1577-K1630 PolarHBondContact O-NZ 3.21Å; Y1577-E1633 HydrophobicContact CE1-CB 4.12Å; Y1577-E1633 VanDerWaalsContact CE1-OE2 3.22Å; Y1577-E1633 WeakPolarHBondContact CE1-OE2 3.3Å; Y1577-E1633 VanDerWaalsContact CZ-OE2 3.3Å; Y1577-E1633 PolarHBondContact OH-OE2 2.79Å; Y1577-L1634 HydrophobicContact CD1-CD1 3.74Å; Y1577-L1634 HydrophobicContact CD1-CD2 4Å; Y1577-L1634 HydrophobicContact CD1-CG 3.65Å; Y1577-L1634 HydrophobicContact CD2-CD2 3.94Å; Y1577-L1634 HydrophobicContact CD2-CG 4.49Å; Y1577-L1634 HydrophobicContact CE1-CD1 4.44Å; Y1577-L1634 HydrophobicContact CE1-CD2 4.2Å; Y1577-L1634 HydrophobicContact CE1-CG 3.87Å; Y1577-L1634 HydrophobicContact CE2-CD2 4.09Å; Y1577-L1634 HydrophobicContact CG-CD1 3.97Å; Y1577-L1634 HydrophobicContact CG-CD2 3.9Å; Y1577-L1634 HydrophobicContact CG-CG 4.02Å; Y1577-Q1693 PolarHBondContact OH-NE2 2.81Å |
| 1578 | M | 90.1 | Very high | 72.8 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 14.2 | -178.6 | -60.7 | 174.8 | 69.2 | 0 | 0 | 114.5 | V1574 S1580 Q1618 S1627 K1630 L1634 | V1574-M1578 HydrophobicContact CG1-CG 4.42Å; V1574-M1578 HydrophobicContact CG1-SD 3.52Å; V1574-M1578 VanDerWaalsContact CG1-SD 3.52Å; V1574-M1578 WeakPolarHBondContact O-CB 3.3Å; V1574-M1578 WeakPolarHBondContact O-CG 3.14Å; V1574-M1578 PolarHBondContact O-N 3.24Å; M1578-S1580 PolarHBondContact O-N 3.21Å; M1578-S1580 PolarHBondContact O-OG 3.15Å; M1578-Q1618 HydrophobicContact CE-CB 3.78Å; M1578-Q1618 HydrophobicContact SD-CB 3.78Å; M1578-Q1618 HydrophobicContact SD-CG 4.4Å; M1578-S1627 WeakPolarHBondContact CE-O 3.42Å; M1578-S1627 WeakPolarHBondContact O-CA 3.27Å; M1578-S1627 WeakPolarHBondContact O-CB 3.48Å; M1578-S1627 PolarHBondContact O-OG 3.28Å; M1578-K1630 HydrophobicContact CB-CB 4.44Å; M1578-K1630 HydrophobicContact CG-CB 4.12Å; M1578-L1634 HydrophobicContact CG-CD1 4.12Å; M1578-L1634 HydrophobicContact SD-CD1 4.33Å |
| 1579 | D | 75.4 | Confident | 72.1 | Confident | 77 Ų | 77 | 61 Ų | 61 | 41% | 0.412 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 3.2 | -174.7 | -76.1 | -43.1 | 0 | 0 | 0 | 116.8 | Y1577 M1581 S1582 K1630 | Y1577-D1579 PolarHBondContact O-N 3.03Å; D1579-M1581 PolarHBondContact O-N 3.3Å; D1579-S1582 PolarHBondContact O-OG 3.39Å; D1579-K1630 IonicContact OD1-NZ 2.72Å; D1579-K1630 IonicContact OD2-NZ 2.85Å; D1579-K1630 PolarHBondContact OD2-NZ 3.45Å |
| 1580 | S | 64.1 | Low | 71.7 | Confident | 12 Ų | 12 | 61.5 Ų | 61.5 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -63.9 | -4.4 | 179.6 | -50 | 0 | 0 | 0 | 0 | 115.2 | L1575 M1578 S1627 | L1575-S1580 PolarHBondContact O-N 3.35Å; M1578-S1580 PolarHBondContact O-N 3.21Å; M1578-S1580 PolarHBondContact O-OG 3.15Å; S1580-S1627 PolarHBondContact OG-OG 3.38Å |
| 1581 | M | 58.4 | Low | 71.1 | Confident | 53 Ų | 53 | 62.7 Ų | 62.7 | 26% | 0.261 | 35% | 0.346 | S | S | . | . | trans | -145.4 | 80.4 | 178.5 | -161.5 | -171.7 | -158.7 | 0 | 0 | 113.6 | P1548 L1575 K1576 D1579 | P1548-M1581 HydrophobicContact CG-CE 3.48Å; P1548-M1581 VanDerWaalsContact CG-CE 3.48Å; P1548-M1581 HydrophobicContact CG-SD 3.89Å; L1575-M1581 HydrophobicContact CB-CB 4.08Å; L1575-M1581 PolarHBondContact O-N 2.89Å; K1576-M1581 HydrophobicContact CG-CB 4.39Å; D1579-M1581 PolarHBondContact O-N 3.3Å | ||
| 1582 | S | 49.7 | Very low | 70.4 | Confident | 86 Ų | 86 | 65.8 Ų | 65.8 | 60% | 0.601 | 36% | 0.362 | S | S | * | . | trans | -120.8 | 94 | -171.5 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | D1579 | D1579-S1582 PolarHBondContact O-OG 3.39Š| ||
| 1583 | I | 43.4 | Very low | 70.4 | Confident | 147 Ų | 147 | 61 Ų | 61 | 75% | 0.754 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -104.4 | -34.5 | -178.1 | -64.5 | 175.3 | 0 | 0 | 0 | 112.6 | ||
| 1584 | D | 38 | Very low | 70.3 | Confident | 124 Ų | 124 | 60.8 Ų | 60.8 | 66% | 0.663 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -113.6 | 125.5 | 173.5 | -70.1 | -64.9 | 0 | 0 | 0 | 110.4 | S1586 | D1584-S1586 PolarHBondContact O-N 3.15Å; D1584-S1586 PolarHBondContact O-OG 3.13Å |
| 1585 | G | 47.1 | Very low | 70.1 | Confident | 100 Ų | 100 | 63.6 Ų | 63.6 | 100% | 1.031 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -64.8 | 61.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1586 | S | 45.1 | Very low | 70.1 | Confident | 46 Ų | 46 | 64.7 Ų | 64.7 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | trans | -147.8 | 81.7 | -162.8 | 57.6 | 0 | 0 | 0 | 0 | 109.6 | R729 D1584 A1588 | R729-S1586 PolarHBondContact NH1-OG 2.69Å; R729-S1586 PolarHBondContact NH2-O 2.89Å; R729-S1586 PolarHBondContact NH2-OG 2.7Å; D1584-S1586 PolarHBondContact O-N 3.15Å; D1584-S1586 PolarHBondContact O-OG 3.13Å; S1586-A1588 PolarHBondContact O-N 3.17Å | ||
| 1587 | R | 54.8 | Low | 70.4 | Confident | 249 Ų | 249 | 60.2 Ų | 60.2 | 94% | 0.94 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -47.2 | 116.5 | -179.8 | -74.1 | 179.8 | 170.9 | 166.2 | -2.9 | 110.2 | ||
| 1588 | A | 58.9 | Low | 70.6 | Confident | 46 Ų | 46 | 60 Ų | 60 | 38% | 0.38 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 150.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | S1586 V1590 L1593 | S1586-A1588 PolarHBondContact O-N 3.17Å; A1588-V1590 PolarHBondContact O-N 2.8Å; A1588-L1593 HydrophobicContact CB-CD1 4.09Å; A1588-L1593 HydrophobicContact CB-CD2 4.39Å; A1588-L1593 HydrophobicContact CB-CG 4.2Å |
| 1589 | N | 76.3 | Confident | 70.6 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 131.7 | 177.1 | -178.7 | 17.6 | 0 | 0 | 0 | 109.8 | C1591 D1592 L1593 | N1589-C1591 VanDerWaalsContact C-N 3.25Å; N1589-C1591 PolarHBondContact O-N 3.43Å; N1589-C1591 PolarHBondContact OD1-N 3.18Å; N1589-D1592 HydrophobicContact CB-CB 4.24Å; N1589-D1592 WeakPolarHBondContact CB-OD1 3.34Å; N1589-D1592 PolarHBondContact ND2-OD1 2.95Å; N1589-D1592 PolarHBondContact O-N 3.01Å; N1589-L1593 PolarHBondContact O-N 2.87Å |
| 1590 | V | 80.3 | Confident | 71.3 | Confident | 40 Ų | 40 | 58.7 Ų | 58.7 | 24% | 0.242 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.9 | -39.5 | -178.4 | -174 | 0 | 0 | 0 | 0 | 110.5 | Y1577 A1588 L1593 T1594 V1689 | Y1577-V1590 HydrophobicContact CD2-CG1 4.26Å; Y1577-V1590 HydrophobicContact CE2-CG1 3.42Å; Y1577-V1590 VanDerWaalsContact CE2-CG1 3.42Å; A1588-V1590 PolarHBondContact O-N 2.8Å; V1590-L1593 PolarHBondContact O-N 2.82Å; V1590-T1594 PolarHBondContact O-N 3.44Å; V1590-T1594 PolarHBondContact O-OG1 2.94Å; V1590-V1689 HydrophobicContact CB-CG1 4.44Å; V1590-V1689 HydrophobicContact CG1-CG1 3.53Å |
| 1591 | C | 80.6 | Confident | 72.5 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.3 | -52.7 | 177.6 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | N1589 L1593 T1594 E1595 | N1589-C1591 VanDerWaalsContact C-N 3.25Å; N1589-C1591 PolarHBondContact O-N 3.43Å; N1589-C1591 PolarHBondContact OD1-N 3.18Å; C1591-L1593 PolarHBondContact O-N 3.25Å; C1591-L1593 VanDerWaalsContact O-N 3.13Å; C1591-T1594 PolarHBondContact O-N 2.76Å; C1591-T1594 VanDerWaalsContact O-N 3.07Å; C1591-T1594 PolarHBondContact O-OG1 3.01Å; C1591-E1595 WeakPolarHBondContact O-CB 3.48Å; C1591-E1595 PolarHBondContact O-N 2.86Å |
| 1592 | D | 80.4 | Confident | 74 | Confident | 65 Ų | 65 | 56.4 Ų | 56.4 | 35% | 0.348 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -54.2 | -33.5 | 177.1 | -54 | 18.2 | 0 | 0 | 0 | 112.3 | N1589 S1596 | N1589-D1592 HydrophobicContact CB-CB 4.24Å; N1589-D1592 WeakPolarHBondContact CB-OD1 3.34Å; N1589-D1592 PolarHBondContact ND2-OD1 2.95Å; N1589-D1592 PolarHBondContact O-N 3.01Å; D1592-S1596 WeakPolarHBondContact O-CB 3.28Å; D1592-S1596 PolarHBondContact O-N 3.02Å; D1592-S1596 VanDerWaalsContact O-N 3.08Å; D1592-S1596 PolarHBondContact O-OG 2.88Å |
| 1593 | L | 87.3 | Confident | 75.7 | Confident | 19 Ų | 19 | 60 Ų | 60 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.2 | -50.3 | 174.8 | -69.9 | 174.1 | 0 | 0 | 0 | 112 | K1576 Y1577 A1588 N1589 V1590 C1591 E1595 S1596 V1597 | K1576-L1593 HydrophobicContact CB-CD1 4.47Å; K1576-L1593 HydrophobicContact CB-CD2 3.82Å; Y1577-L1593 HydrophobicContact CD2-CB 4.09Å; Y1577-L1593 HydrophobicContact CD2-CD1 4.5Å; A1588-L1593 HydrophobicContact CB-CD1 4.09Å; A1588-L1593 HydrophobicContact CB-CD2 4.39Å; A1588-L1593 HydrophobicContact CB-CG 4.2Å; N1589-L1593 PolarHBondContact O-N 2.87Å; V1590-L1593 PolarHBondContact O-N 2.82Å; C1591-L1593 PolarHBondContact O-N 3.25Å; C1591-L1593 VanDerWaalsContact O-N 3.13Å; L1593-E1595 VanDerWaalsContact C-N 3.26Å; L1593-E1595 PolarHBondContact O-N 3.43Å; L1593-S1596 WeakPolarHBondContact O-CA 3.43Å; L1593-S1596 WeakPolarHBondContact O-CB 3.37Å; L1593-S1596 PolarHBondContact O-N 2.78Å; L1593-S1596 VanDerWaalsContact O-N 3.07Å; L1593-V1597 WeakPolarHBondContact O-CG2 3.46Å; L1593-V1597 PolarHBondContact O-N 3.1Å |
| 1594 | T | 89.4 | Confident | 77.8 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 176.4 | 57.8 | 0 | 0 | 0 | 0 | 112.3 | Y1577 V1590 C1591 V1597 F1598 L1634 L1637 V1689 | Y1577-T1594 HydrophobicContact CD2-CG2 4.1Å; Y1577-T1594 HydrophobicContact CE2-CG2 3.57Å; V1590-T1594 PolarHBondContact O-N 3.44Å; V1590-T1594 PolarHBondContact O-OG1 2.94Å; C1591-T1594 PolarHBondContact O-N 2.76Å; C1591-T1594 VanDerWaalsContact O-N 3.07Å; C1591-T1594 PolarHBondContact O-OG1 3.01Å; T1594-V1597 PolarHBondContact O-N 2.76Å; T1594-F1598 HydrophobicContact CG2-CE2 4.27Å; T1594-F1598 WeakPolarHBondContact O-CB 3.46Å; T1594-F1598 WeakPolarHBondContact O-CD2 3.48Å; T1594-F1598 PolarHBondContact O-N 3.01Å; T1594-L1634 HydrophobicContact CG2-CD2 4.46Å; T1594-L1637 HydrophobicContact CG2-CD1 3.86Å; T1594-V1689 HydrophobicContact CG2-CG1 4.35Å; T1594-V1689 HydrophobicContact CG2-CG2 4.16Å |
| 1595 | E | 87.5 | Confident | 80.1 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 27% | 0.271 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 172.2 | 179.8 | 164.2 | -114.4 | 0 | 0 | 111.4 | C1591 L1593 V1597 F1598 A1599 P1683 R1782 | C1591-E1595 WeakPolarHBondContact O-CB 3.48Å; C1591-E1595 PolarHBondContact O-N 2.86Å; L1593-E1595 VanDerWaalsContact C-N 3.26Å; L1593-E1595 PolarHBondContact O-N 3.43Å; E1595-V1597 VanDerWaalsContact C-N 3.28Å; E1595-V1597 PolarHBondContact O-N 3.47Å; E1595-F1598 PolarHBondContact O-N 3.21Å; E1595-A1599 WeakPolarHBondContact O-CB 3.2Å; E1595-A1599 PolarHBondContact O-N 3.29Å; E1595-P1683 HydrophobicContact CG-CG 4.42Å; E1595-R1782 IonicContact OE1-CZ 3.43Å; E1595-R1782 IonicContact OE1-NH1 2.74Å; E1595-R1782 PolarHBondContact OE1-NH1 2.98Å; E1595-R1782 IonicContact OE1-NH2 3.01Å; E1595-R1782 PolarHBondContact OE1-NH2 3.49Å |
| 1596 | S | 89.2 | Confident | 81.9 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 16% | 0.161 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.8 | -26.6 | 175 | -59.8 | 0 | 0 | 0 | 0 | 114 | D1592 L1593 | D1592-S1596 WeakPolarHBondContact O-CB 3.28Å; D1592-S1596 PolarHBondContact O-N 3.02Å; D1592-S1596 VanDerWaalsContact O-N 3.08Å; D1592-S1596 PolarHBondContact O-OG 2.88Å; L1593-S1596 WeakPolarHBondContact O-CA 3.43Å; L1593-S1596 WeakPolarHBondContact O-CB 3.37Å; L1593-S1596 PolarHBondContact O-N 2.78Å; L1593-S1596 VanDerWaalsContact O-N 3.07Å |
| 1597 | V | 92.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -83.1 | -46.5 | 175.9 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | M1570 A1573 V1574 L1593 T1594 E1595 V1611 | M1570-V1597 WeakPolarHBondContact CG-O 3.23Å; A1573-V1597 HydrophobicContact CB-CG2 3.55Å; V1574-V1597 HydrophobicContact CG2-CG1 4.04Å; V1574-V1597 HydrophobicContact CG2-CG2 3.88Å; L1593-V1597 WeakPolarHBondContact O-CG2 3.46Å; L1593-V1597 PolarHBondContact O-N 3.1Å; T1594-V1597 PolarHBondContact O-N 2.76Å; E1595-V1597 VanDerWaalsContact C-N 3.28Å; E1595-V1597 PolarHBondContact O-N 3.47Å; V1597-V1611 HydrophobicContact CG1-CG2 3.58Å |
| 1598 | F | 94.4 | Very high | 86 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -99.2 | -28.4 | -166.2 | -59.5 | -54.5 | 0 | 0 | 0 | 115.1 | T1594 E1595 A1601 I1602 L1634 L1637 C1638 L1641 P1683 P1684 | T1594-F1598 HydrophobicContact CG2-CE2 4.27Å; T1594-F1598 WeakPolarHBondContact O-CB 3.46Å; T1594-F1598 WeakPolarHBondContact O-CD2 3.48Å; T1594-F1598 PolarHBondContact O-N 3.01Å; E1595-F1598 PolarHBondContact O-N 3.21Å; F1598-A1601 PolarHBondContact O-N 2.74Å; F1598-I1602 WeakPolarHBondContact O-CG1 3.38Å; F1598-I1602 PolarHBondContact O-N 2.94Å; F1598-L1634 HydrophobicContact CE2-CD2 4.11Å; F1598-L1634 HydrophobicContact CZ-CD2 3.92Å; F1598-L1634 WeakPolarHBondContact CZ-O 3.41Å; F1598-L1637 HydrophobicContact CE2-CB 3.73Å; F1598-L1637 HydrophobicContact CE2-CD1 4.19Å; F1598-L1637 HydrophobicContact CZ-CB 3.87Å; F1598-C1638 HydrophobicContact CE1-CB 3.69Å; F1598-C1638 HydrophobicContact CZ-CB 4.26Å; F1598-L1641 HydrophobicContact CB-CD1 3.68Å; F1598-L1641 HydrophobicContact CD1-CD1 3.81Å; F1598-L1641 HydrophobicContact CD2-CD1 4Å; F1598-L1641 HydrophobicContact CE1-CD1 4.49Å; F1598-L1641 HydrophobicContact CG-CD1 3.54Å; F1598-P1683 HydrophobicContact CB-CB 4.45Å; F1598-P1684 HydrophobicContact CD2-CG 3.75Å; F1598-P1684 HydrophobicContact CE2-CG 4.14Å |
| 1599 | A | 90 | Very high | 87.6 | Confident | 36 Ų | 36 | 37.3 Ų | 37.3 | 30% | 0.298 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.3 | -41.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1595 K1603 P1683 | E1595-A1599 WeakPolarHBondContact O-CB 3.2Å; E1595-A1599 PolarHBondContact O-N 3.29Å; A1599-K1603 WeakPolarHBondContact O-CB 3.24Å; A1599-K1603 PolarHBondContact O-N 3.24Å; A1599-P1683 HydrophobicContact CB-CG 3.66Å |
| 1600 | P | 89.6 | Confident | 88.5 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 10% | 0.097 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.7 | -39.9 | 177.2 | -18.2 | 32.8 | 0 | 0 | 0 | 112.7 | M1566 M1570 I1602 K1603 Q1604 L1607 | M1566-P1600 HydrophobicContact CB-CB 3.81Å; M1566-P1600 HydrophobicContact CB-CG 4.38Å; M1566-P1600 HydrophobicContact CE-CB 4.38Å; M1566-P1600 HydrophobicContact CE-CG 4.41Å; M1566-P1600 HydrophobicContact CG-CB 4.05Å; M1566-P1600 HydrophobicContact SD-CB 4.33Å; M1566-P1600 HydrophobicContact SD-CG 4.25Å; M1570-P1600 HydrophobicContact CG-CB 4.36Å; M1570-P1600 HydrophobicContact CG-CG 4.03Å; M1570-P1600 HydrophobicContact SD-CB 3.78Å; M1570-P1600 HydrophobicContact SD-CG 4.14Å; P1600-I1602 VanDerWaalsContact C-N 3.33Å; P1600-I1602 PolarHBondContact O-N 2.85Å; P1600-K1603 PolarHBondContact O-N 3.46Å; P1600-Q1604 PolarHBondContact O-N 2.83Å; P1600-L1607 HydrophobicContact CB-CD1 3.67Å |
| 1601 | A | 90.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.1 | -29.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1570 F1598 L1607 R1608 V1611 F1642 | M1570-A1601 HydrophobicContact CE-CB 4.07Å; F1598-A1601 PolarHBondContact O-N 2.74Å; A1601-L1607 HydrophobicContact CB-CB 4.2Å; A1601-R1608 WeakPolarHBondContact O-CG 3.33Å; A1601-R1608 PolarHBondContact O-NE 3.44Å; A1601-V1611 HydrophobicContact CB-CB 4.42Å; A1601-V1611 HydrophobicContact CB-CG1 4.25Å; A1601-F1642 HydrophobicContact CB-CE1 3.89Å; A1601-F1642 HydrophobicContact CB-CE2 4.47Å; A1601-F1642 HydrophobicContact CB-CZ 3.53Å |
| 1602 | I | 89.6 | Confident | 89.8 | Confident | 17 Ų | 17 | 30.1 Ų | 30.1 | 9% | 0.087 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.5 | -50.5 | 169.3 | -70.3 | 172.6 | 0 | 0 | 0 | 110.2 | F1598 P1600 R1608 L1641 F1642 R1680 K1681 Y1682 | F1598-I1602 WeakPolarHBondContact O-CG1 3.38Å; F1598-I1602 PolarHBondContact O-N 2.94Å; P1600-I1602 VanDerWaalsContact C-N 3.33Å; P1600-I1602 PolarHBondContact O-N 2.85Å; I1602-R1608 PolarHBondContact O-NH2 3.43Å; I1602-L1641 HydrophobicContact CD1-CD1 4.38Å; I1602-L1641 HydrophobicContact CD1-CD2 4.33Å; I1602-F1642 HydrophobicContact CG1-CD1 3.98Å; I1602-F1642 HydrophobicContact CG1-CE1 3.86Å; I1602-R1680 VanDerWaalsContact CG2-O 3.24Å; I1602-R1680 WeakPolarHBondContact CG2-O 3.3Å; I1602-K1681 WeakPolarHBondContact CG2-O 3.34Å; I1602-Y1682 WeakPolarHBondContact CD1-O 3.3Å |
| 1603 | K | 85.5 | Confident | 90.4 | Very high | 161 Ų | 161 | 28.1 Ų | 28.1 | 70% | 0.7 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -71.2 | -27.9 | -172.3 | -151.4 | 179.5 | -171.5 | -172.5 | 0 | 114.2 | A1599 P1600 | A1599-K1603 WeakPolarHBondContact O-CB 3.24Å; A1599-K1603 PolarHBondContact O-N 3.24Å; P1600-K1603 PolarHBondContact O-N 3.46Å |
| 1604 | Q | 86.1 | Confident | 90.7 | Very high | 39 Ų | 39 | 27.2 Ų | 27.2 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | trans | -127 | 115.1 | 174.7 | -70.7 | -177.3 | -14.2 | 0 | 0 | 110.8 | E1562 P1600 V1606 L1607 | E1562-Q1604 PolarHBondContact OE2-NE2 2.88Å; P1600-Q1604 PolarHBondContact O-N 2.83Å; Q1604-V1606 HydrophobicContact CB-CG2 4.36Å; Q1604-V1606 PolarHBondContact O-N 3.16Å; Q1604-V1606 VanDerWaalsContact O-N 3.17Å; Q1604-L1607 HydrophobicContact CB-CD1 4.09Å; Q1604-L1607 HydrophobicContact CB-CG 4.36Å; Q1604-L1607 WeakPolarHBondContact O-CB 3.12Å; Q1604-L1607 PolarHBondContact O-N 3.4Å | ||
| 1605 | T | 86.3 | Confident | 90.9 | Very high | 98 Ų | 98 | 27.1 Ų | 27.1 | 60% | 0.601 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -32.8 | -175.5 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | L1607 R1608 | T1605-L1607 VanDerWaalsContact C-N 3.27Å; T1605-L1607 PolarHBondContact O-N 3.16Å; T1605-R1608 VanDerWaalsContact O-CB 3.31Å; T1605-R1608 WeakPolarHBondContact O-CB 3.49Å; T1605-R1608 VanDerWaalsContact O-CG 3.31Å; T1605-R1608 WeakPolarHBondContact O-CG 3.35Å; T1605-R1608 PolarHBondContact O-N 2.83Å |
| 1606 | V | 86.7 | Confident | 91.2 | Very high | 53 Ų | 53 | 25.3 Ų | 25.3 | 32% | 0.321 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -67.5 | -22.4 | 178.5 | -68.1 | 0 | 0 | 0 | 0 | 114.2 | V1557 I1560 A1563 Q1604 R1608 | V1557-V1606 WeakPolarHBondContact CG2-O 3.37Å; I1560-V1606 HydrophobicContact CD1-CB 3.96Å; I1560-V1606 HydrophobicContact CD1-CG1 3.71Å; I1560-V1606 HydrophobicContact CD1-CG2 3.85Å; I1560-V1606 HydrophobicContact CG2-CG2 4.06Å; A1563-V1606 HydrophobicContact CB-CG2 4.09Å; Q1604-V1606 HydrophobicContact CB-CG2 4.36Å; Q1604-V1606 PolarHBondContact O-N 3.16Å; Q1604-V1606 VanDerWaalsContact O-N 3.17Å; V1606-R1608 VanDerWaalsContact C-N 3.32Å |
| 1607 | L | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -80.2 | -11 | 175.6 | -76.8 | 175 | 0 | 0 | 0 | 113.8 | V1557 A1563 M1566 A1567 M1570 P1600 A1601 Q1604 T1605 E1610 V1611 | V1557-L1607 HydrophobicContact CG1-CD2 3.93Å; A1563-L1607 HydrophobicContact CB-CD1 4.21Å; A1563-L1607 HydrophobicContact CB-CD2 3.7Å; A1563-L1607 HydrophobicContact CB-CG 3.73Å; A1563-L1607 WeakPolarHBondContact O-CD2 3.45Å; M1566-L1607 HydrophobicContact CB-CD1 3.56Å; M1566-L1607 HydrophobicContact CB-CD2 4.47Å; M1566-L1607 HydrophobicContact CG-CD1 4.27Å; A1567-L1607 HydrophobicContact CB-CD2 3.99Å; M1570-L1607 HydrophobicContact CE-CB 4.32Å; M1570-L1607 HydrophobicContact CE-CD2 4.4Å; M1570-L1607 HydrophobicContact SD-CB 4.44Å; M1570-L1607 HydrophobicContact SD-CD1 4Å; M1570-L1607 HydrophobicContact SD-CD2 3.98Å; M1570-L1607 HydrophobicContact SD-CG 4.39Å; P1600-L1607 HydrophobicContact CB-CD1 3.67Å; A1601-L1607 HydrophobicContact CB-CB 4.2Å; Q1604-L1607 HydrophobicContact CB-CD1 4.09Å; Q1604-L1607 HydrophobicContact CB-CG 4.36Å; Q1604-L1607 WeakPolarHBondContact O-CB 3.12Å; Q1604-L1607 PolarHBondContact O-N 3.4Å; T1605-L1607 VanDerWaalsContact C-N 3.27Å; T1605-L1607 PolarHBondContact O-N 3.16Å; L1607-E1610 HydrophobicContact CD2-CB 4.38Å; L1607-E1610 HydrophobicContact CD2-CG 4.45Å; L1607-E1610 PolarHBondContact O-N 3.22Å; L1607-V1611 PolarHBondContact O-N 3.26Å |
| 1608 | R | 92.7 | Very high | 91.3 | Very high | 38 Ų | 38 | 24.9 Ų | 24.9 | 14% | 0.143 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.2 | -48.7 | -180 | -62.6 | 177.7 | -178.1 | -168.9 | -1.5 | 111 | A1601 I1602 T1605 V1606 E1610 V1611 Y1612 F1642 S1679 | A1601-R1608 WeakPolarHBondContact O-CG 3.33Å; A1601-R1608 PolarHBondContact O-NE 3.44Å; I1602-R1608 PolarHBondContact O-NH2 3.43Å; T1605-R1608 VanDerWaalsContact O-CB 3.31Å; T1605-R1608 WeakPolarHBondContact O-CB 3.49Å; T1605-R1608 VanDerWaalsContact O-CG 3.31Å; T1605-R1608 WeakPolarHBondContact O-CG 3.35Å; T1605-R1608 PolarHBondContact O-N 2.83Å; V1606-R1608 VanDerWaalsContact C-N 3.32Å; R1608-E1610 VanDerWaalsContact C-N 3.3Å; R1608-E1610 PolarHBondContact O-N 3.48Å; R1608-V1611 PolarHBondContact O-N 3.41Å; R1608-Y1612 VanDerWaalsContact O-CD2 3.24Å; R1608-Y1612 WeakPolarHBondContact O-CD2 3.39Å; R1608-Y1612 PolarHBondContact O-N 3.32Å; R1608-F1642 HydrophobicContact CB-CD2 3.64Å; R1608-F1642 HydrophobicContact CB-CE2 3.61Å; R1608-F1642 HydrophobicContact CB-CG 4.46Å; R1608-F1642 HydrophobicContact CB-CZ 4.38Å; R1608-F1642 HydrophobicContact CG-CD1 4.28Å; R1608-F1642 HydrophobicContact CG-CD2 3.57Å; R1608-F1642 HydrophobicContact CG-CE1 4.36Å; R1608-F1642 HydrophobicContact CG-CE2 3.67Å; R1608-F1642 HydrophobicContact CG-CG 3.91Å; R1608-F1642 HydrophobicContact CG-CZ 4.08Å; R1608-S1679 PolarHBondContact NH1-OG 2.95Å |
| 1609 | D | 92.3 | Very high | 91.2 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.043 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -41.2 | 174.5 | -77.2 | 4.9 | 0 | 0 | 0 | 111.7 | L1554 K1556 Y1612 C1613 S1645 L1648 | L1554-D1609 HydrophobicContact CD1-CB 3.63Å; K1556-D1609 IonicContact NZ-OD2 3.59Å; K1556-D1609 PolarHBondContact NZ-OD2 3.23Å; D1609-Y1612 PolarHBondContact O-N 3.04Å; D1609-C1613 PolarHBondContact O-N 3.19Å; D1609-C1613 PolarHBondContact O-SG 3.27Å; D1609-C1613 VanDerWaalsContact O-SG 3.35Å; D1609-S1645 VanDerWaalsContact CG-OG 3.25Å; D1609-S1645 WeakPolarHBondContact OD1-CB 3.24Å; D1609-S1645 PolarHBondContact OD1-N 2.75Å; D1609-S1645 PolarHBondContact OD1-OG 2.89Å; D1609-S1645 VanDerWaalsContact OD1-OG 3.11Å; D1609-S1645 WeakPolarHBondContact OD2-CB 3.41Å; D1609-S1645 PolarHBondContact OD2-OG 3.18Å; D1609-L1648 HydrophobicContact CB-CD2 3.7Å; D1609-L1648 VanDerWaalsContact O-CD2 3.31Å; D1609-L1648 WeakPolarHBondContact O-CD2 3.36Å |
| 1610 | E | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.2 | -42.2 | -179.3 | -179.9 | 68.1 | -159.7 | 0 | 0 | 112 | P1552 L1553 L1554 V1557 A1567 L1607 R1608 Y1612 C1613 Q1614 | P1552-E1610 WeakPolarHBondContact CA-OE1 3.31Å; L1553-E1610 PolarHBondContact N-OE1 2.77Å; L1553-E1610 PolarHBondContact N-OE2 2.9Å; L1554-E1610 VanDerWaalsContact CB-OE2 3.31Å; L1554-E1610 WeakPolarHBondContact CB-OE2 3.42Å; L1554-E1610 HydrophobicContact CD1-CB 4.11Å; L1554-E1610 WeakPolarHBondContact CG-OE2 3.45Å; L1554-E1610 PolarHBondContact N-OE2 3.07Å; V1557-E1610 HydrophobicContact CG1-CG 4.32Å; V1557-E1610 HydrophobicContact CG2-CB 4.17Å; A1567-E1610 HydrophobicContact CB-CG 3.65Å; L1607-E1610 HydrophobicContact CD2-CB 4.38Å; L1607-E1610 HydrophobicContact CD2-CG 4.45Å; L1607-E1610 PolarHBondContact O-N 3.22Å; R1608-E1610 VanDerWaalsContact C-N 3.3Å; R1608-E1610 PolarHBondContact O-N 3.48Å; E1610-Y1612 VanDerWaalsContact C-N 3.33Å; E1610-Y1612 PolarHBondContact O-N 3.09Å; E1610-C1613 PolarHBondContact O-N 3.01Å; E1610-Q1614 HydrophobicContact CG-CG 4.35Å; E1610-Q1614 WeakPolarHBondContact O-CB 3.33Å; E1610-Q1614 VanDerWaalsContact O-CG 3.26Å; E1610-Q1614 WeakPolarHBondContact O-CG 3.18Å; E1610-Q1614 PolarHBondContact O-N 3.37Å; E1610-Q1614 PolarHBondContact OE1-NE2 2.74Å |
| 1611 | V | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.7 | -35.9 | 178.6 | 90.2 | 0 | 0 | 0 | 0 | 112 | M1570 V1597 A1601 L1607 R1608 Q1614 I1615 C1638 F1642 | M1570-V1611 HydrophobicContact CE-CB 3.5Å; M1570-V1611 HydrophobicContact CE-CG2 3.57Å; V1597-V1611 HydrophobicContact CG1-CG2 3.58Å; A1601-V1611 HydrophobicContact CB-CB 4.42Å; A1601-V1611 HydrophobicContact CB-CG1 4.25Å; L1607-V1611 PolarHBondContact O-N 3.26Å; R1608-V1611 PolarHBondContact O-N 3.41Å; V1611-Q1614 PolarHBondContact O-N 3.02Å; V1611-I1615 HydrophobicContact CG2-CD1 4.24Å; V1611-I1615 VanDerWaalsContact O-CG1 3.31Å; V1611-I1615 WeakPolarHBondContact O-CG1 3.48Å; V1611-I1615 PolarHBondContact O-N 3.46Å; V1611-C1638 VanDerWaalsContact CG1-SG 3.59Å; V1611-F1642 HydrophobicContact CG1-CE2 4.03Å; V1611-F1642 HydrophobicContact CG1-CZ 3.88Å |
| 1612 | Y | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -53.9 | 169.8 | -82.2 | -70.2 | 0 | 0 | 0 | 110.4 | R1608 D1609 E1610 Q1614 I1615 L1616 L1635 C1638 F1642 P1644 V1652 I1671 | R1608-Y1612 VanDerWaalsContact O-CD2 3.24Å; R1608-Y1612 WeakPolarHBondContact O-CD2 3.39Å; R1608-Y1612 PolarHBondContact O-N 3.32Å; D1609-Y1612 PolarHBondContact O-N 3.04Å; E1610-Y1612 VanDerWaalsContact C-N 3.33Å; E1610-Y1612 PolarHBondContact O-N 3.09Å; Y1612-Q1614 VanDerWaalsContact C-N 3.27Å; Y1612-Q1614 PolarHBondContact O-N 2.75Å; Y1612-I1615 PolarHBondContact O-N 2.76Å; Y1612-L1616 VanDerWaalsContact O-CB 3.3Å; Y1612-L1616 WeakPolarHBondContact O-CB 3.15Å; Y1612-L1616 WeakPolarHBondContact O-CD1 3.5Å; Y1612-L1616 WeakPolarHBondContact O-CG 3.44Å; Y1612-L1616 PolarHBondContact O-N 2.94Å; Y1612-L1635 HydrophobicContact CD1-CD1 3.79Å; Y1612-L1635 HydrophobicContact CE1-CD1 3.88Å; Y1612-C1638 HydrophobicContact CE1-CB 4.49Å; Y1612-C1638 VanDerWaalsContact CZ-SG 3.55Å; Y1612-F1642 HydrophobicContact CD2-CE2 4.48Å; Y1612-F1642 HydrophobicContact CE2-CD2 4.12Å; Y1612-F1642 AromaticContact CE2-CE2 3.98Å; Y1612-F1642 HydrophobicContact CE2-CE2 3.98Å; Y1612-F1642 PolarHBondContact OH-O 3.37Å; Y1612-F1642 VanDerWaalsContact OH-O 3.04Å; Y1612-P1644 HydrophobicContact CD2-CB 3.73Å; Y1612-P1644 HydrophobicContact CD2-CG 4.42Å; Y1612-P1644 HydrophobicContact CE2-CB 3.8Å; Y1612-P1644 HydrophobicContact CE2-CG 4.13Å; Y1612-P1644 HydrophobicContact CG-CB 4.43Å; Y1612-V1652 HydrophobicContact CD1-CG1 4.18Å; Y1612-V1652 HydrophobicContact CD1-CG2 4.14Å; Y1612-V1652 HydrophobicContact CE1-CG1 4.23Å; Y1612-V1652 HydrophobicContact CG-CG2 4.2Å; Y1612-I1671 HydrophobicContact CE1-CD1 4.08Å |
| 1613 | C | 93.1 | Very high | 90.9 | Very high | 23 Ų | 23 | 35.3 Ų | 35.3 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.6 | -39.2 | 177.8 | -69.1 | 0 | 0 | 0 | 0 | 113.2 | L1553 D1609 E1610 K1617 | L1553-C1613 HydrophobicContact CB-CB 4.47Å; L1553-C1613 HydrophobicContact CD1-CB 3.97Å; D1609-C1613 PolarHBondContact O-N 3.19Å; D1609-C1613 PolarHBondContact O-SG 3.27Å; D1609-C1613 VanDerWaalsContact O-SG 3.35Å; E1610-C1613 PolarHBondContact O-N 3.01Å; C1613-K1617 WeakPolarHBondContact O-CB 3.35Å; C1613-K1617 PolarHBondContact O-N 2.88Å |
| 1614 | Q | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.1 | -43.6 | 179.9 | -75.6 | -176.5 | 8.1 | 0 | 0 | 113.3 | L1549 L1553 A1567 Y1571 E1610 V1611 Y1612 Q1618 | L1549-Q1614 HydrophobicContact CD1-CG 4.29Å; L1553-Q1614 HydrophobicContact CD1-CB 4.47Å; L1553-Q1614 HydrophobicContact CD1-CG 3.86Å; L1553-Q1614 HydrophobicContact CG-CG 4.39Å; A1567-Q1614 PolarHBondContact O-NE2 2.6Å; A1567-Q1614 PolarHBondContact O-OE1 2.94Å; Y1571-Q1614 HydrophobicContact CD2-CB 3.97Å; Y1571-Q1614 HydrophobicContact CD2-CG 3.83Å; Y1571-Q1614 VanDerWaalsContact N-OE1 3.12Å; E1610-Q1614 HydrophobicContact CG-CG 4.35Å; E1610-Q1614 WeakPolarHBondContact O-CB 3.33Å; E1610-Q1614 VanDerWaalsContact O-CG 3.26Å; E1610-Q1614 WeakPolarHBondContact O-CG 3.18Å; E1610-Q1614 PolarHBondContact O-N 3.37Å; E1610-Q1614 PolarHBondContact OE1-NE2 2.74Å; V1611-Q1614 PolarHBondContact O-N 3.02Å; Y1612-Q1614 VanDerWaalsContact C-N 3.27Å; Y1612-Q1614 PolarHBondContact O-N 2.75Å; Q1614-Q1618 PolarHBondContact O-N 3Å |
| 1615 | I | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.1 | -42.6 | 175.3 | -64.8 | 164.3 | 0 | 0 | 0 | 109.8 | V1574 V1611 Y1612 K1617 Q1618 L1619 L1634 L1635 C1638 | V1574-I1615 HydrophobicContact CG2-CG1 4.37Å; V1611-I1615 HydrophobicContact CG2-CD1 4.24Å; V1611-I1615 VanDerWaalsContact O-CG1 3.31Å; V1611-I1615 WeakPolarHBondContact O-CG1 3.48Å; V1611-I1615 PolarHBondContact O-N 3.46Å; Y1612-I1615 PolarHBondContact O-N 2.76Å; I1615-K1617 PolarHBondContact O-N 3.48Å; I1615-Q1618 CarbonylContact O-C 3.57Å; I1615-Q1618 PolarHBondContact O-N 3.45Å; I1615-L1619 HydrophobicContact CG2-CD1 3.95Å; I1615-L1619 HydrophobicContact CG2-CG 4.43Å; I1615-L1619 WeakPolarHBondContact O-CG 3.41Å; I1615-L1619 PolarHBondContact O-N 3.34Å; I1615-L1634 HydrophobicContact CD1-CB 4.02Å; I1615-L1634 HydrophobicContact CG1-CB 4.37Å; I1615-L1635 HydrophobicContact CG2-CB 3.99Å; I1615-L1635 HydrophobicContact CG2-CD1 4.13Å; I1615-C1638 HydrophobicContact CD1-CB 4.4Å |
| 1616 | L | 93.5 | Very high | 90.9 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 177.2 | -68.7 | 171.4 | 0 | 0 | 0 | 112.6 | Y1612 L1619 T1620 V1652 F1655 | Y1612-L1616 VanDerWaalsContact O-CB 3.3Å; Y1612-L1616 WeakPolarHBondContact O-CB 3.15Å; Y1612-L1616 WeakPolarHBondContact O-CD1 3.5Å; Y1612-L1616 WeakPolarHBondContact O-CG 3.44Å; Y1612-L1616 PolarHBondContact O-N 2.94Å; L1616-L1619 PolarHBondContact O-N 3.33Å; L1616-T1620 WeakPolarHBondContact O-CB 3.15Å; L1616-T1620 PolarHBondContact O-N 3.25Å; L1616-T1620 PolarHBondContact O-OG1 3.25Å; L1616-V1652 HydrophobicContact CD1-CG2 4.04Å; L1616-F1655 HydrophobicContact CD2-CB 3.99Å; L1616-F1655 HydrophobicContact CD2-CD1 3.25Å; L1616-F1655 HydrophobicContact CD2-CD2 3.78Å; L1616-F1655 HydrophobicContact CD2-CE1 3.51Å; L1616-F1655 HydrophobicContact CD2-CE2 3.99Å; L1616-F1655 HydrophobicContact CD2-CG 3.4Å; L1616-F1655 HydrophobicContact CD2-CZ 3.87Å |
| 1617 | K | 92 | Very high | 91.1 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 6% | 0.057 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.1 | -48.5 | 171.4 | 174.1 | -179 | 170.3 | 64 | 0 | 111.2 | L1541 C1543 H1544 L1553 Y1571 C1613 I1615 L1619 T1620 | L1541-K1617 WeakPolarHBondContact O-CD 3.43Å; L1541-K1617 WeakPolarHBondContact O-CE 3.5Å; L1541-K1617 PolarHBondContact O-NZ 3.13Å; C1543-K1617 CarbonylContact C-O 3.46Å; C1543-K1617 WeakPolarHBondContact O-CE 3.39Å; C1543-K1617 WeakPolarHBondContact O-CG 3.39Å; C1543-K1617 PolarHBondContact O-NZ 2.88Å; H1544-K1617 PolarHBondContact N-O 3.22Å; H1544-K1617 VanDerWaalsContact N-O 3.11Å; L1553-K1617 HydrophobicContact CD1-CB 4.18Å; L1553-K1617 HydrophobicContact CD1-CD 3.97Å; L1553-K1617 HydrophobicContact CD2-CD 3.88Å; Y1571-K1617 HydrophobicContact CE2-CD 4.11Å; Y1571-K1617 VanDerWaalsContact OH-CE 3.24Å; Y1571-K1617 WeakPolarHBondContact OH-CE 3.38Å; C1613-K1617 WeakPolarHBondContact O-CB 3.35Å; C1613-K1617 PolarHBondContact O-N 2.88Å; I1615-K1617 PolarHBondContact O-N 3.48Å; K1617-L1619 VanDerWaalsContact C-N 3.28Å; K1617-L1619 PolarHBondContact O-N 3.38Å; K1617-T1620 PolarHBondContact O-N 3.06Å; K1617-T1620 VanDerWaalsContact O-N 3.11Å |
| 1618 | Q | 91.7 | Very high | 91 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.6 | -16.7 | -178.8 | -76.9 | -72.2 | -48.2 | 0 | 0 | 114.2 | H1544 S1545 Y1571 V1574 M1578 Q1614 I1615 N1622 | H1544-Q1618 PolarHBondContact CD2-OE1 2.92Å; S1545-Q1618 PolarHBondContact O-NE2 3.17Å; Y1571-Q1618 HydrophobicContact CE2-CG 3.97Å; Y1571-Q1618 PolarHBondContact OH-NE2 3.37Å; V1574-Q1618 HydrophobicContact CG1-CB 4.4Å; V1574-Q1618 HydrophobicContact CG1-CG 4.12Å; M1578-Q1618 HydrophobicContact CE-CB 3.78Å; M1578-Q1618 HydrophobicContact SD-CB 3.78Å; M1578-Q1618 HydrophobicContact SD-CG 4.4Å; Q1614-Q1618 PolarHBondContact O-N 3Å; I1615-Q1618 CarbonylContact O-C 3.57Å; I1615-Q1618 PolarHBondContact O-N 3.45Å; Q1618-N1622 VanDerWaalsContact O-CB 3.31Å; Q1618-N1622 WeakPolarHBondContact O-CB 3.4Å; Q1618-N1622 PolarHBondContact O-ND2 3.2Å |
| 1619 | L | 92 | Very high | 91 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 6% | 0.058 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -90.1 | -10.5 | 168.6 | -71.8 | 173.4 | 0 | 0 | 0 | 113.5 | I1615 L1616 K1617 V1628 W1632 L1635 F1655 | I1615-L1619 HydrophobicContact CG2-CD1 3.95Å; I1615-L1619 HydrophobicContact CG2-CG 4.43Å; I1615-L1619 WeakPolarHBondContact O-CG 3.41Å; I1615-L1619 PolarHBondContact O-N 3.34Å; L1616-L1619 PolarHBondContact O-N 3.33Å; K1617-L1619 VanDerWaalsContact C-N 3.28Å; K1617-L1619 PolarHBondContact O-N 3.38Å; L1619-V1628 HydrophobicContact CD2-CG1 4.09Å; L1619-V1628 VanDerWaalsContact CD2-O 3.31Å; L1619-V1628 WeakPolarHBondContact CD2-O 3.41Å; L1619-W1632 HydrophobicContact CD1-CD2 4.32Å; L1619-W1632 HydrophobicContact CD2-CG 4.3Å; L1619-L1635 HydrophobicContact CD1-CD2 3.98Å; L1619-F1655 HydrophobicContact CB-CE1 4.41Å; L1619-F1655 HydrophobicContact CB-CZ 3.85Å; L1619-F1655 HydrophobicContact CD1-CE1 4.25Å; L1619-F1655 HydrophobicContact CD1-CZ 4.49Å |
| 1620 | T | 90 | Very high | 91 | Very high | 31 Ų | 31 | 34.2 Ų | 34.2 | 19% | 0.19 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -94.1 | 114.2 | -175.9 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | C1543 H1544 L1616 K1617 N1622 | C1543-T1620 CarbonylContact C-O 3.5Å; C1543-T1620 WeakPolarHBondContact CA-O 3.44Å; H1544-T1620 PolarHBondContact N-O 3.46Å; L1616-T1620 WeakPolarHBondContact O-CB 3.15Å; L1616-T1620 PolarHBondContact O-N 3.25Å; L1616-T1620 PolarHBondContact O-OG1 3.25Å; K1617-T1620 PolarHBondContact O-N 3.06Å; K1617-T1620 VanDerWaalsContact O-N 3.11Å; T1620-N1622 PolarHBondContact O-N 3.04Å |
| 1621 | N | 87.9 | Confident | 90.9 | Very high | 128 Ų | 128 | 34.2 Ų | 34.2 | 68% | 0.684 | 20% | 0.196 | S | C | * | . | S | Bend | trans | 55.4 | 35.6 | -179.7 | -58.7 | -1.1 | 0 | 0 | 0 | 113.6 | C1543 | C1543-N1621 HydrophobicContact CB-CB 4.37Š|
| 1622 | N | 88.8 | Confident | 90.9 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | trans | -78.6 | 120.7 | 172 | -176.3 | -19.4 | 0 | 0 | 0 | 110 | H1544 Q1618 T1620 N1624 S1627 V1628 | H1544-N1622 HydrophobicContact CB-CB 3.73Å; H1544-N1622 PolarHBondContact CD2-ND2 3.49Å; H1544-N1622 VanDerWaalsContact CD2-ND2 3.28Å; Q1618-N1622 VanDerWaalsContact O-CB 3.31Å; Q1618-N1622 WeakPolarHBondContact O-CB 3.4Å; Q1618-N1622 PolarHBondContact O-ND2 3.2Å; T1620-N1622 PolarHBondContact O-N 3.04Å; N1622-N1624 VanDerWaalsContact C-N 3.33Å; N1622-N1624 PolarHBondContact O-N 2.95Å; N1622-N1624 PolarHBondContact OD1-N 3.44Å; N1622-N1624 PolarHBondContact OD1-O 2.91Å; N1622-S1627 PolarHBondContact ND2-OG 2.92Å; N1622-V1628 HydrophobicContact CB-CG2 3.66Å | ||
| 1623 | P | 85.4 | Confident | 90.8 | Very high | 99 Ų | 99 | 35.9 Ų | 35.9 | 64% | 0.643 | 20% | 0.203 | S | C | * | . | trans | -80.8 | -8.6 | -177.5 | 33.4 | -36.4 | 0 | 0 | 0 | 114 | P1625 | P1623-P1625 WeakPolarHBondContact O-CD 3.45Š| ||
| 1624 | N | 87.3 | Confident | 90.9 | Very high | 52 Ų | 52 | 34.8 Ų | 34.8 | 28% | 0.278 | 20% | 0.196 | S | C | . | . | trans | -99.9 | 108.1 | -176.8 | 177.3 | -10.2 | 0 | 0 | 0 | 110.6 | N1622 V1626 S1627 V1628 | N1622-N1624 VanDerWaalsContact C-N 3.33Å; N1622-N1624 PolarHBondContact O-N 2.95Å; N1622-N1624 PolarHBondContact OD1-N 3.44Å; N1622-N1624 PolarHBondContact OD1-O 2.91Å; N1624-V1626 VanDerWaalsContact C-N 3.3Å; N1624-V1626 PolarHBondContact O-N 3.47Å; N1624-V1626 WeakPolarHBondContact OD1-CB 3.35Å; N1624-V1626 PolarHBondContact OD1-N 3.36Å; N1624-S1627 WeakPolarHBondContact O-CB 3.24Å; N1624-S1627 PolarHBondContact O-N 3.33Å; N1624-S1627 VanDerWaalsContact O-N 3.13Å; N1624-S1627 PolarHBondContact OD1-N 2.98Å; N1624-V1628 WeakPolarHBondContact O-CG2 3.29Å; N1624-V1628 PolarHBondContact O-N 3.47Å | ||
| 1625 | P | 85.2 | Confident | 91 | Very high | 99 Ų | 99 | 34.9 Ų | 34.9 | 64% | 0.643 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -65.4 | -29.3 | -176.8 | 25.8 | -34.2 | 0 | 0 | 0 | 113.5 | P1623 V1628 E1629 | P1623-P1625 WeakPolarHBondContact O-CD 3.45Å; P1625-V1628 PolarHBondContact O-N 3.4Å; P1625-E1629 PolarHBondContact O-N 2.97Å |
| 1626 | V | 86.3 | Confident | 90.9 | Very high | 93 Ų | 93 | 34.9 Ų | 34.9 | 56% | 0.564 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -70.8 | -36.2 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | N1624 K1630 | N1624-V1626 VanDerWaalsContact C-N 3.3Å; N1624-V1626 PolarHBondContact O-N 3.47Å; N1624-V1626 WeakPolarHBondContact OD1-CB 3.35Å; N1624-V1626 PolarHBondContact OD1-N 3.36Å; V1626-K1630 PolarHBondContact O-N 2.83Å |
| 1627 | S | 90.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.3 | -48.7 | 172.5 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | M1578 S1580 N1622 N1624 E1629 K1630 G1631 | M1578-S1627 WeakPolarHBondContact CE-O 3.42Å; M1578-S1627 WeakPolarHBondContact O-CA 3.27Å; M1578-S1627 WeakPolarHBondContact O-CB 3.48Å; M1578-S1627 PolarHBondContact O-OG 3.28Å; S1580-S1627 PolarHBondContact OG-OG 3.38Å; N1622-S1627 PolarHBondContact ND2-OG 2.92Å; N1624-S1627 WeakPolarHBondContact O-CB 3.24Å; N1624-S1627 PolarHBondContact O-N 3.33Å; N1624-S1627 VanDerWaalsContact O-N 3.13Å; N1624-S1627 PolarHBondContact OD1-N 2.98Å; S1627-E1629 PolarHBondContact O-N 2.8Å; S1627-K1630 PolarHBondContact O-N 2.79Å; S1627-G1631 PolarHBondContact O-N 3.4Å |
| 1628 | V | 91.5 | Very high | 91 | Very high | 32 Ų | 32 | 33.4 Ų | 33.4 | 19% | 0.194 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.3 | -48.7 | 177.1 | 169.3 | 0 | 0 | 0 | 0 | 112.2 | L1619 N1622 N1624 P1625 K1630 G1631 W1632 | L1619-V1628 HydrophobicContact CD2-CG1 4.09Å; L1619-V1628 VanDerWaalsContact CD2-O 3.31Å; L1619-V1628 WeakPolarHBondContact CD2-O 3.41Å; N1622-V1628 HydrophobicContact CB-CG2 3.66Å; N1624-V1628 WeakPolarHBondContact O-CG2 3.29Å; N1624-V1628 PolarHBondContact O-N 3.47Å; P1625-V1628 PolarHBondContact O-N 3.4Å; V1628-K1630 VanDerWaalsContact C-N 3.3Å; V1628-K1630 PolarHBondContact O-N 3.31Å; V1628-G1631 WeakPolarHBondContact O-CA 3.01Å; V1628-G1631 PolarHBondContact O-N 2.99Å; V1628-W1632 VanDerWaalsContact O-CD1 3.3Å; V1628-W1632 PolarHBondContact O-N 3.03Å; V1628-W1632 VanDerWaalsContact O-N 3.12Å |
| 1629 | E | 91.9 | Very high | 91 | Very high | 55 Ų | 55 | 33.4 Ų | 33.4 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.4 | -41.8 | -176.8 | -158 | 73.9 | 164.9 | 0 | 0 | 111.9 | P1625 S1627 G1631 W1632 E1633 H1661 K1695 | P1625-E1629 PolarHBondContact O-N 2.97Å; S1627-E1629 PolarHBondContact O-N 2.8Å; E1629-G1631 VanDerWaalsContact C-N 3.29Å; E1629-G1631 PolarHBondContact O-N 3.34Å; E1629-W1632 WeakPolarHBondContact O-CB 3.47Å; E1629-W1632 PolarHBondContact O-N 3Å; E1629-W1632 VanDerWaalsContact O-N 3.08Å; E1629-E1633 PolarHBondContact O-N 2.95Å; E1629-H1661 IonicContact OE1-NE2 2.66Å; E1629-H1661 IonicContact OE2-CD2 2.66Å; E1629-H1661 IonicContact OE2-NE2 2.69Å; E1629-H1661 PolarHBondContact OE2-NE2 3.01Å; E1629-H1661 VanDerWaalsContact OE2-NE2 3.17Å; E1629-K1695 WeakPolarHBondContact OE1-CE 3.47Å; E1629-K1695 IonicContact OE1-NZ 3.74Å; E1629-K1695 PolarHBondContact OE1-NZ 3.48Å |
| 1630 | K | 92.2 | Very high | 90.8 | Very high | 43 Ų | 43 | 33.1 Ų | 33.1 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.1 | -25.6 | 173.9 | -71.9 | -167.3 | 175.3 | -176.9 | 0 | 113.8 | Y1577 M1578 D1579 V1626 S1627 V1628 W1632 E1633 L1634 | Y1577-K1630 HydrophobicContact CD1-CB 3.94Å; Y1577-K1630 HydrophobicContact CD1-CD 4.29Å; Y1577-K1630 HydrophobicContact CE1-CB 3.9Å; Y1577-K1630 HydrophobicContact CE1-CD 4.35Å; Y1577-K1630 HydrophobicContact CE1-CG 4.27Å; Y1577-K1630 WeakPolarHBondContact CE1-O 3.33Å; Y1577-K1630 WeakPolarHBondContact O-CD 3.2Å; Y1577-K1630 PolarHBondContact O-NZ 3.21Å; M1578-K1630 HydrophobicContact CB-CB 4.44Å; M1578-K1630 HydrophobicContact CG-CB 4.12Å; D1579-K1630 IonicContact OD1-NZ 2.72Å; D1579-K1630 IonicContact OD2-NZ 2.85Å; D1579-K1630 PolarHBondContact OD2-NZ 3.45Å; V1626-K1630 PolarHBondContact O-N 2.83Å; S1627-K1630 PolarHBondContact O-N 2.79Å; V1628-K1630 VanDerWaalsContact C-N 3.3Å; V1628-K1630 PolarHBondContact O-N 3.31Å; K1630-W1632 VanDerWaalsContact C-N 3.32Å; K1630-E1633 PolarHBondContact O-N 2.85Å; K1630-L1634 PolarHBondContact O-N 3.39Å; K1630-L1634 VanDerWaalsContact O-N 3.16Å |
| 1631 | G | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.1 | -35.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1627 V1628 E1629 L1634 L1635 | S1627-G1631 PolarHBondContact O-N 3.4Å; V1628-G1631 WeakPolarHBondContact O-CA 3.01Å; V1628-G1631 PolarHBondContact O-N 2.99Å; E1629-G1631 VanDerWaalsContact C-N 3.29Å; E1629-G1631 PolarHBondContact O-N 3.34Å; G1631-L1634 PolarHBondContact O-N 3.43Å; G1631-L1635 PolarHBondContact O-N 3.27Å |
| 1632 | W | 93.8 | Very high | 91 | Very high | 13 Ų | 13 | 25.6 Ų | 25.6 | 5% | 0.049 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71.2 | -37.4 | 173.4 | -72.2 | 106.5 | 0 | 0 | 0 | 112.9 | L1619 V1628 E1629 K1630 L1634 L1635 W1636 F1655 L1656 R1659 H1661 A1664 | L1619-W1632 HydrophobicContact CD1-CD2 4.32Å; L1619-W1632 HydrophobicContact CD2-CG 4.3Å; V1628-W1632 VanDerWaalsContact O-CD1 3.3Å; V1628-W1632 PolarHBondContact O-N 3.03Å; V1628-W1632 VanDerWaalsContact O-N 3.12Å; E1629-W1632 WeakPolarHBondContact O-CB 3.47Å; E1629-W1632 PolarHBondContact O-N 3Å; E1629-W1632 VanDerWaalsContact O-N 3.08Å; K1630-W1632 VanDerWaalsContact C-N 3.32Å; W1632-L1634 VanDerWaalsContact C-N 3.33Å; W1632-L1634 PolarHBondContact O-N 3.29Å; W1632-L1635 HydrophobicContact CE3-CD2 3.99Å; W1632-L1635 HydrophobicContact CZ3-CD2 3.78Å; W1632-L1635 PolarHBondContact O-N 2.84Å; W1632-W1636 WeakPolarHBondContact O-CB 3.22Å; W1632-W1636 PolarHBondContact O-N 3.41Å; W1632-F1655 HydrophobicContact CH2-CE1 4.09Å; W1632-F1655 HydrophobicContact CZ2-CE1 4.32Å; W1632-L1656 HydrophobicContact CH2-CD2 4.36Å; W1632-L1656 HydrophobicContact CZ3-CD2 3.81Å; W1632-R1659 HydrophobicContact CH2-CB 3.73Å; W1632-R1659 HydrophobicContact CH2-CG 4.18Å; W1632-R1659 HydrophobicContact CZ2-CB 3.72Å; W1632-R1659 HydrophobicContact CZ2-CG 4.06Å; W1632-H1661 VanDerWaalsContact CB-CE1 3.45Å; W1632-H1661 WeakPolarHBondContact CB-CE1 3.44Å; W1632-H1661 AromaticContact CD1-CD2 3.6Å; W1632-H1661 AromaticContact CD1-CE1 3.77Å; W1632-H1661 AromaticContact CD1-CG 3.75Å; W1632-H1661 AromaticContact CD1-ND1 3.85Å; W1632-H1661 AromaticContact CD1-NE2 3.65Å; W1632-H1661 HydrophobicContact CD2-CB 4.01Å; W1632-H1661 AromaticContact CD2-CE1 3.94Å; W1632-H1661 AromaticContact CD2-CG 3.62Å; W1632-H1661 AromaticContact CD2-ND1 3.39Å; W1632-H1661 AromaticContact CE2-CG 3.6Å; W1632-H1661 AromaticContact CE2-ND1 3.91Å; W1632-H1661 HydrophobicContact CE3-CB 4.37Å; W1632-H1661 AromaticContact CE3-ND1 3.73Å; W1632-H1661 AromaticContact CG-CD2 3.96Å; W1632-H1661 AromaticContact CG-CE1 3.43Å; W1632-H1661 VanDerWaalsContact CG-CE1 3.43Å; W1632-H1661 AromaticContact CG-CG 3.76Å; W1632-H1661 AromaticContact CG-ND1 3.41Å; W1632-H1661 AromaticContact CG-NE2 3.79Å; W1632-H1661 HydrophobicContact CH2-CB 4.09Å; W1632-H1661 HydrophobicContact CZ2-CB 3.69Å; W1632-H1661 HydrophobicContact CZ3-CB 4.39Å; W1632-H1661 AromaticContact NE1-CD2 3.72Å; W1632-H1661 AromaticContact NE1-CG 3.65Å; W1632-A1664 HydrophobicContact CH2-CB 3.84Å; W1632-A1664 HydrophobicContact CZ3-CB 3.63Å |
| 1633 | E | 93.7 | Very high | 91.1 | Very high | 23 Ų | 23 | 25.6 Ų | 25.6 | 11% | 0.107 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.4 | -49.4 | 169.5 | -65.6 | 175.5 | -175.3 | 0 | 0 | 111 | Y1577 E1629 K1630 L1635 W1636 L1637 I1692 Q1693 | Y1577-E1633 HydrophobicContact CE1-CB 4.12Å; Y1577-E1633 VanDerWaalsContact CE1-OE2 3.22Å; Y1577-E1633 WeakPolarHBondContact CE1-OE2 3.3Å; Y1577-E1633 VanDerWaalsContact CZ-OE2 3.3Å; Y1577-E1633 PolarHBondContact OH-OE2 2.79Å; E1629-E1633 PolarHBondContact O-N 2.95Å; K1630-E1633 PolarHBondContact O-N 2.85Å; E1633-L1635 PolarHBondContact O-N 3.1Å; E1633-W1636 PolarHBondContact O-N 2.8Å; E1633-L1637 WeakPolarHBondContact O-CG 3.28Å; E1633-L1637 PolarHBondContact O-N 3.27Å; E1633-I1692 HydrophobicContact CB-CG1 4.36Å; E1633-I1692 HydrophobicContact CB-CG2 4.28Å; E1633-I1692 HydrophobicContact CG-CG1 4.33Å; E1633-Q1693 PolarHBondContact OE2-NE2 3Å |
| 1634 | L | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 177.4 | -72.9 | 172.9 | 0 | 0 | 0 | 113 | V1574 Y1577 M1578 T1594 F1598 I1615 K1630 G1631 W1632 L1637 C1638 | V1574-L1634 HydrophobicContact CB-CD1 4.37Å; V1574-L1634 HydrophobicContact CG1-CD1 4.02Å; V1574-L1634 HydrophobicContact CG2-CD1 4.22Å; Y1577-L1634 HydrophobicContact CD1-CD1 3.74Å; Y1577-L1634 HydrophobicContact CD1-CD2 4Å; Y1577-L1634 HydrophobicContact CD1-CG 3.65Å; Y1577-L1634 HydrophobicContact CD2-CD2 3.94Å; Y1577-L1634 HydrophobicContact CD2-CG 4.49Å; Y1577-L1634 HydrophobicContact CE1-CD1 4.44Å; Y1577-L1634 HydrophobicContact CE1-CD2 4.2Å; Y1577-L1634 HydrophobicContact CE1-CG 3.87Å; Y1577-L1634 HydrophobicContact CE2-CD2 4.09Å; Y1577-L1634 HydrophobicContact CG-CD1 3.97Å; Y1577-L1634 HydrophobicContact CG-CD2 3.9Å; Y1577-L1634 HydrophobicContact CG-CG 4.02Å; M1578-L1634 HydrophobicContact CG-CD1 4.12Å; M1578-L1634 HydrophobicContact SD-CD1 4.33Å; T1594-L1634 HydrophobicContact CG2-CD2 4.46Å; F1598-L1634 HydrophobicContact CE2-CD2 4.11Å; F1598-L1634 HydrophobicContact CZ-CD2 3.92Å; F1598-L1634 WeakPolarHBondContact CZ-O 3.41Å; I1615-L1634 HydrophobicContact CD1-CB 4.02Å; I1615-L1634 HydrophobicContact CG1-CB 4.37Å; K1630-L1634 PolarHBondContact O-N 3.39Å; K1630-L1634 VanDerWaalsContact O-N 3.16Å; G1631-L1634 PolarHBondContact O-N 3.43Å; W1632-L1634 VanDerWaalsContact C-N 3.33Å; W1632-L1634 PolarHBondContact O-N 3.29Å; L1634-L1637 PolarHBondContact O-N 3.32Å; L1634-C1638 VanDerWaalsContact O-CB 3.31Å; L1634-C1638 WeakPolarHBondContact O-CB 3.29Å; L1634-C1638 PolarHBondContact O-N 3.3Å |
| 1635 | L | 94.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.9 | -37.8 | 179.6 | -166.5 | 58.7 | 0 | 0 | 0 | 111.8 | Y1612 I1615 L1619 G1631 W1632 E1633 C1638 S1639 L1656 | Y1612-L1635 HydrophobicContact CD1-CD1 3.79Å; Y1612-L1635 HydrophobicContact CE1-CD1 3.88Å; I1615-L1635 HydrophobicContact CG2-CB 3.99Å; I1615-L1635 HydrophobicContact CG2-CD1 4.13Å; L1619-L1635 HydrophobicContact CD1-CD2 3.98Å; G1631-L1635 PolarHBondContact O-N 3.27Å; W1632-L1635 HydrophobicContact CE3-CD2 3.99Å; W1632-L1635 HydrophobicContact CZ3-CD2 3.78Å; W1632-L1635 PolarHBondContact O-N 2.84Å; E1633-L1635 PolarHBondContact O-N 3.1Å; L1635-C1638 PolarHBondContact O-N 3.44Å; L1635-S1639 WeakPolarHBondContact O-CB 3.35Å; L1635-S1639 PolarHBondContact O-N 3.45Å; L1635-L1656 HydrophobicContact CD2-CD2 3.79Å |
| 1636 | W | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.2 | -41.3 | 175.6 | -175.5 | 87.3 | 0 | 0 | 0 | 112.8 | W1632 E1633 S1639 V1663 D1666 C1667 R1670 I1692 T1697 | W1632-W1636 WeakPolarHBondContact O-CB 3.22Å; W1632-W1636 PolarHBondContact O-N 3.41Å; E1633-W1636 PolarHBondContact O-N 2.8Å; W1636-S1639 PolarHBondContact O-OG 3.13Å; W1636-V1663 HydrophobicContact CB-CG1 3.76Å; W1636-V1663 HydrophobicContact CG-CG1 3.76Å; W1636-D1666 PolarHBondContact NE1-OD2 2.91Å; W1636-C1667 VanDerWaalsContact CA-SG 3.58Å; W1636-R1670 VanDerWaalsContact CE2-CZ 3.41Å; W1636-R1670 VanDerWaalsContact CZ2-CZ 3.4Å; W1636-R1670 VanDerWaalsContact NE1-CD 3.26Å; W1636-R1670 PolarHBondContact O-NE 2.93Å; W1636-R1670 PolarHBondContact O-NH2 3.4Å; W1636-I1692 HydrophobicContact CB-CD1 4.14Å; W1636-I1692 HydrophobicContact CB-CG1 4.18Å; W1636-I1692 HydrophobicContact CD2-CB 4.33Å; W1636-I1692 HydrophobicContact CD2-CD1 3.61Å; W1636-I1692 HydrophobicContact CD2-CG1 3.91Å; W1636-I1692 HydrophobicContact CE3-CB 3.64Å; W1636-I1692 HydrophobicContact CE3-CD1 3.85Å; W1636-I1692 HydrophobicContact CE3-CG1 3.67Å; W1636-I1692 HydrophobicContact CE3-CG2 4.14Å; W1636-I1692 HydrophobicContact CG-CD1 3.74Å; W1636-I1692 HydrophobicContact CG-CG1 4.15Å; W1636-I1692 HydrophobicContact CZ3-CB 3.85Å; W1636-I1692 HydrophobicContact CZ3-CD1 4.49Å; W1636-I1692 HydrophobicContact CZ3-CG1 4.35Å; W1636-I1692 HydrophobicContact CZ3-CG2 4.39Å; W1636-T1697 HydrophobicContact CZ2-CG2 4.29Å; W1636-T1697 VanDerWaalsContact CZ2-O 3.3Å; W1636-T1697 WeakPolarHBondContact CZ2-O 3.12Å |
| 1637 | L | 93.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.4 | -49 | 171.6 | -69.5 | 170.1 | 0 | 0 | 0 | 110.4 | T1594 F1598 E1633 L1634 S1639 G1640 L1641 P1684 E1688 V1689 I1692 | T1594-L1637 HydrophobicContact CG2-CD1 3.86Å; F1598-L1637 HydrophobicContact CE2-CB 3.73Å; F1598-L1637 HydrophobicContact CE2-CD1 4.19Å; F1598-L1637 HydrophobicContact CZ-CB 3.87Å; E1633-L1637 WeakPolarHBondContact O-CG 3.28Å; E1633-L1637 PolarHBondContact O-N 3.27Å; L1634-L1637 PolarHBondContact O-N 3.32Å; L1637-S1639 PolarHBondContact O-N 3.14Å; L1637-G1640 PolarHBondContact O-N 2.98Å; L1637-L1641 WeakPolarHBondContact O-CG 3.37Å; L1637-P1684 HydrophobicContact CB-CG 4.2Å; L1637-P1684 HydrophobicContact CD2-CB 3.99Å; L1637-P1684 HydrophobicContact CD2-CG 4.11Å; L1637-E1688 HydrophobicContact CD2-CB 4.44Å; L1637-V1689 HydrophobicContact CD1-CG2 4.25Å; L1637-V1689 HydrophobicContact CD2-CG2 4.29Å; L1637-I1692 HydrophobicContact CD1-CG2 4.21Å; L1637-I1692 HydrophobicContact CD2-CG2 4.1Å; L1637-I1692 HydrophobicContact CG-CG2 4.05Å |
| 1638 | C | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.2 | -48.4 | 178.7 | -170 | 0 | 0 | 0 | 0 | 112.9 | F1598 V1611 Y1612 I1615 L1634 L1635 G1640 L1641 | F1598-C1638 HydrophobicContact CE1-CB 3.69Å; F1598-C1638 HydrophobicContact CZ-CB 4.26Å; V1611-C1638 VanDerWaalsContact CG1-SG 3.59Å; Y1612-C1638 HydrophobicContact CE1-CB 4.49Å; Y1612-C1638 VanDerWaalsContact CZ-SG 3.55Å; I1615-C1638 HydrophobicContact CD1-CB 4.4Å; L1634-C1638 VanDerWaalsContact O-CB 3.31Å; L1634-C1638 WeakPolarHBondContact O-CB 3.29Å; L1634-C1638 PolarHBondContact O-N 3.3Å; L1635-C1638 PolarHBondContact O-N 3.44Å; C1638-G1640 PolarHBondContact O-N 3.31Å; C1638-G1640 VanDerWaalsContact O-N 3.09Å; C1638-L1641 PolarHBondContact O-N 3.44Å |
| 1639 | S | 91.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.5 | -28 | -178 | 68 | 0 | 0 | 0 | 0 | 115.3 | L1635 W1636 L1637 C1667 R1670 S1674 | L1635-S1639 WeakPolarHBondContact O-CB 3.35Å; L1635-S1639 PolarHBondContact O-N 3.45Å; W1636-S1639 PolarHBondContact O-OG 3.13Å; L1637-S1639 PolarHBondContact O-N 3.14Å; S1639-C1667 WeakPolarHBondContact CB-O 3.25Å; S1639-R1670 CarbonylContact O-C 3.46Å; S1639-R1670 WeakPolarHBondContact OG-CB 3.36Å; S1639-R1670 PolarHBondContact OG-NE 3.28Å; S1639-R1670 VanDerWaalsContact OG-NE 3.09Å; S1639-S1674 PolarHBondContact O-OG 3.16Å |
| 1640 | G | 88.5 | Confident | 91.2 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -88.3 | -11.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L1637 C1638 | L1637-G1640 PolarHBondContact O-N 2.98Å; C1638-G1640 PolarHBondContact O-N 3.31Å; C1638-G1640 VanDerWaalsContact O-N 3.09Å |
| 1641 | L | 91.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -93.1 | -42.9 | -176.6 | -60.9 | 169.9 | 0 | 0 | 0 | 112.4 | F1598 I1602 L1637 C1638 S1679 R1680 P1684 | F1598-L1641 HydrophobicContact CB-CD1 3.68Å; F1598-L1641 HydrophobicContact CD1-CD1 3.81Å; F1598-L1641 HydrophobicContact CD2-CD1 4Å; F1598-L1641 HydrophobicContact CE1-CD1 4.49Å; F1598-L1641 HydrophobicContact CG-CD1 3.54Å; I1602-L1641 HydrophobicContact CD1-CD1 4.38Å; I1602-L1641 HydrophobicContact CD1-CD2 4.33Å; L1637-L1641 WeakPolarHBondContact O-CG 3.37Å; C1638-L1641 PolarHBondContact O-N 3.44Å; L1641-S1679 WeakPolarHBondContact O-CA 3.32Å; L1641-R1680 HydrophobicContact CD2-CB 3.98Å; L1641-R1680 HydrophobicContact CD2-CG 4.08Å; L1641-R1680 PolarHBondContact O-N 2.97Å; L1641-P1684 HydrophobicContact CD1-CG 3.87Å; L1641-P1684 HydrophobicContact CD2-CG 4.08Å; L1641-P1684 HydrophobicContact CG-CG 4.36Å |
| 1642 | F | 91.6 | Very high | 91 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -162.4 | 150.9 | -179.3 | 47 | -99.9 | 0 | 0 | 0 | 110.9 | A1601 I1602 R1608 V1611 Y1612 | A1601-F1642 HydrophobicContact CB-CE1 3.89Å; A1601-F1642 HydrophobicContact CB-CE2 4.47Å; A1601-F1642 HydrophobicContact CB-CZ 3.53Å; I1602-F1642 HydrophobicContact CG1-CD1 3.98Å; I1602-F1642 HydrophobicContact CG1-CE1 3.86Å; R1608-F1642 HydrophobicContact CB-CD2 3.64Å; R1608-F1642 HydrophobicContact CB-CE2 3.61Å; R1608-F1642 HydrophobicContact CB-CG 4.46Å; R1608-F1642 HydrophobicContact CB-CZ 4.38Å; R1608-F1642 HydrophobicContact CG-CD1 4.28Å; R1608-F1642 HydrophobicContact CG-CD2 3.57Å; R1608-F1642 HydrophobicContact CG-CE1 4.36Å; R1608-F1642 HydrophobicContact CG-CE2 3.67Å; R1608-F1642 HydrophobicContact CG-CG 3.91Å; R1608-F1642 HydrophobicContact CG-CZ 4.08Å; V1611-F1642 HydrophobicContact CG1-CE2 4.03Å; V1611-F1642 HydrophobicContact CG1-CZ 3.88Å; Y1612-F1642 HydrophobicContact CD2-CE2 4.48Å; Y1612-F1642 HydrophobicContact CE2-CD2 4.12Å; Y1612-F1642 AromaticContact CE2-CE2 3.98Å; Y1612-F1642 HydrophobicContact CE2-CE2 3.98Å; Y1612-F1642 PolarHBondContact OH-O 3.37Å; Y1612-F1642 VanDerWaalsContact OH-O 3.04Å | ||
| 1643 | A | 90.3 | Very high | 90.8 | Very high | 17 Ų | 17 | 30.3 Ų | 30.3 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -79.1 | 152.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1671 S1674 K1675 | A1643-I1671 HydrophobicContact CB-CG2 4.28Å; A1643-S1674 PolarHBondContact N-OG 2.89Å; A1643-K1675 HydrophobicContact CB-CB 3.85Å; A1643-K1675 HydrophobicContact CB-CD 4.47Å; A1643-K1675 HydrophobicContact CB-CG 4.16Å |
| 1644 | P | 91.3 | Very high | 90.6 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 4% | 0.039 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 162.2 | 167.2 | 29.8 | -34.8 | 0 | 0 | 0 | 111.5 | Y1612 L1648 H1649 V1652 I1671 | Y1612-P1644 HydrophobicContact CD2-CB 3.73Å; Y1612-P1644 HydrophobicContact CD2-CG 4.42Å; Y1612-P1644 HydrophobicContact CE2-CB 3.8Å; Y1612-P1644 HydrophobicContact CE2-CG 4.13Å; Y1612-P1644 HydrophobicContact CG-CB 4.43Å; P1644-L1648 HydrophobicContact CB-CB 4.3Å; P1644-L1648 HydrophobicContact CB-CD2 4.39Å; P1644-H1649 VanDerWaalsContact CD-CE1 3.44Å; P1644-H1649 WeakPolarHBondContact CD-CE1 3.49Å; P1644-H1649 HydrophobicContact CG-CB 4.23Å; P1644-H1649 WeakPolarHBondContact CG-CE1 3.46Å; P1644-V1652 HydrophobicContact CB-CG2 4.36Å; P1644-V1652 HydrophobicContact CG-CB 4.37Å; P1644-V1652 HydrophobicContact CG-CG1 4.47Å; P1644-V1652 HydrophobicContact CG-CG2 4.28Å; P1644-I1671 HydrophobicContact CG-CG2 4.46Å |
| 1645 | S | 89.8 | Confident | 90.5 | Very high | 38 Ų | 38 | 34.2 Ų | 34.2 | 27% | 0.266 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -63.1 | 162.8 | 178.4 | 77.7 | 0 | 0 | 0 | 0 | 113.2 | D1609 T1647 L1648 H1649 | D1609-S1645 VanDerWaalsContact CG-OG 3.25Å; D1609-S1645 WeakPolarHBondContact OD1-CB 3.24Å; D1609-S1645 PolarHBondContact OD1-N 2.75Å; D1609-S1645 PolarHBondContact OD1-OG 2.89Å; D1609-S1645 VanDerWaalsContact OD1-OG 3.11Å; D1609-S1645 WeakPolarHBondContact OD2-CB 3.41Å; D1609-S1645 PolarHBondContact OD2-OG 3.18Å; S1645-T1647 PolarHBondContact O-N 2.98Å; S1645-T1647 VanDerWaalsContact O-N 3.09Å; S1645-T1647 PolarHBondContact OG-N 2.82Å; S1645-T1647 PolarHBondContact OG-OG1 2.9Å; S1645-L1648 PolarHBondContact O-N 3.41Å; S1645-L1648 PolarHBondContact OG-N 2.81Å; S1645-H1649 WeakPolarHBondContact O-CB 3.17Å; S1645-H1649 PolarHBondContact O-N 3.47Å |
| 1646 | Q | 86 | Confident | 90.4 | Very high | 155 Ų | 155 | 34.6 Ų | 34.6 | 72% | 0.724 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48 | -39 | 175.3 | -137.5 | 84.2 | -15.1 | 0 | 0 | 112.8 | ||
| 1647 | T | 84.8 | Confident | 90.2 | Very high | 109 Ų | 109 | 43.5 Ų | 43.5 | 67% | 0.669 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -29.4 | -179.7 | 26.7 | 0 | 0 | 0 | 0 | 115 | S1645 | S1645-T1647 PolarHBondContact O-N 2.98Å; S1645-T1647 VanDerWaalsContact O-N 3.09Å; S1645-T1647 PolarHBondContact OG-N 2.82Å; S1645-T1647 PolarHBondContact OG-OG1 2.9Å |
| 1648 | L | 90 | Very high | 89.8 | Confident | 24 Ų | 24 | 46.9 Ų | 46.9 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -18.7 | -178 | -170.4 | 67.1 | 0 | 0 | 0 | 112.6 | D1609 P1644 S1645 N1650 E1651 V1652 | D1609-L1648 HydrophobicContact CB-CD2 3.7Å; D1609-L1648 VanDerWaalsContact O-CD2 3.31Å; D1609-L1648 WeakPolarHBondContact O-CD2 3.36Å; P1644-L1648 HydrophobicContact CB-CB 4.3Å; P1644-L1648 HydrophobicContact CB-CD2 4.39Å; S1645-L1648 PolarHBondContact O-N 3.41Å; S1645-L1648 PolarHBondContact OG-N 2.81Å; L1648-N1650 VanDerWaalsContact C-N 3.31Å; L1648-N1650 PolarHBondContact O-N 2.99Å; L1648-E1651 HydrophobicContact CD1-CB 4.47Å; L1648-E1651 PolarHBondContact O-N 2.74Å; L1648-V1652 HydrophobicContact CD2-CG2 4.23Å; L1648-V1652 HydrophobicContact CG-CG2 3.89Å; L1648-V1652 WeakPolarHBondContact O-CG2 3.37Å; L1648-V1652 PolarHBondContact O-N 3.13Å |
| 1649 | H | 90.4 | Very high | 89.3 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.7 | -40.4 | -175.7 | -177.8 | 80 | 0 | 0 | 0 | 113.9 | P1644 S1645 A1653 I1671 Q1672 | P1644-H1649 VanDerWaalsContact CD-CE1 3.44Å; P1644-H1649 WeakPolarHBondContact CD-CE1 3.49Å; P1644-H1649 HydrophobicContact CG-CB 4.23Å; P1644-H1649 WeakPolarHBondContact CG-CE1 3.46Å; S1645-H1649 WeakPolarHBondContact O-CB 3.17Å; S1645-H1649 PolarHBondContact O-N 3.47Å; H1649-A1653 VanDerWaalsContact O-CB 3.26Å; H1649-A1653 WeakPolarHBondContact O-CB 3.5Å; H1649-A1653 PolarHBondContact O-N 3.14Å; H1649-I1671 WeakPolarHBondContact CE1-CG2 3.47Å; H1649-I1671 WeakPolarHBondContact NE2-CG2 3.36Å; H1649-Q1672 VanDerWaalsContact NE2-CD 3.28Å; H1649-Q1672 PolarHBondContact NE2-NE2 3.03Å |
| 1650 | N | 87.3 | Confident | 88.9 | Confident | 106 Ų | 106 | 61.1 Ų | 61.1 | 57% | 0.567 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.8 | -42.7 | 179.5 | -70.5 | -1.7 | 0 | 0 | 0 | 111.7 | L1648 A1653 C1654 | L1648-N1650 VanDerWaalsContact C-N 3.31Å; L1648-N1650 PolarHBondContact O-N 2.99Å; N1650-A1653 WeakPolarHBondContact O-CB 3.37Å; N1650-A1653 PolarHBondContact O-N 3.34Å; N1650-C1654 WeakPolarHBondContact O-CB 3.37Å; N1650-C1654 PolarHBondContact O-N 2.88Å |
| 1651 | E | 90.4 | Very high | 88.9 | Confident | 117 Ų | 117 | 62.2 Ų | 62.2 | 55% | 0.547 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.6 | -39.1 | -178.7 | -45.9 | -40.8 | 128.2 | 0 | 0 | 111.7 | L1648 C1654 F1655 | L1648-E1651 HydrophobicContact CD1-CB 4.47Å; L1648-E1651 PolarHBondContact O-N 2.74Å; E1651-C1654 PolarHBondContact O-N 3.08Å; E1651-F1655 WeakPolarHBondContact O-CB 3.31Å; E1651-F1655 PolarHBondContact O-N 2.96Å |
| 1652 | V | 91.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 171.5 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | Y1612 L1616 P1644 L1648 F1655 L1656 I1671 | Y1612-V1652 HydrophobicContact CD1-CG1 4.18Å; Y1612-V1652 HydrophobicContact CD1-CG2 4.14Å; Y1612-V1652 HydrophobicContact CE1-CG1 4.23Å; Y1612-V1652 HydrophobicContact CG-CG2 4.2Å; L1616-V1652 HydrophobicContact CD1-CG2 4.04Å; P1644-V1652 HydrophobicContact CB-CG2 4.36Å; P1644-V1652 HydrophobicContact CG-CB 4.37Å; P1644-V1652 HydrophobicContact CG-CG1 4.47Å; P1644-V1652 HydrophobicContact CG-CG2 4.28Å; L1648-V1652 HydrophobicContact CD2-CG2 4.23Å; L1648-V1652 HydrophobicContact CG-CG2 3.89Å; L1648-V1652 WeakPolarHBondContact O-CG2 3.37Å; L1648-V1652 PolarHBondContact O-N 3.13Å; V1652-F1655 PolarHBondContact O-N 3.42Å; V1652-L1656 HydrophobicContact CG1-CD1 4.03Å; V1652-L1656 HydrophobicContact CG1-CG 4.5Å; V1652-L1656 WeakPolarHBondContact O-CB 3.18Å; V1652-L1656 VanDerWaalsContact O-CG 3.28Å; V1652-L1656 WeakPolarHBondContact O-CG 3.38Å; V1652-L1656 PolarHBondContact O-N 3.28Å; V1652-I1671 HydrophobicContact CG1-CD1 3.65Å |
| 1653 | A | 89 | Confident | 88.5 | Confident | 12 Ų | 12 | 68.9 Ų | 68.9 | 10% | 0.099 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1649 N1650 R1657 F1668 | H1649-A1653 VanDerWaalsContact O-CB 3.26Å; H1649-A1653 WeakPolarHBondContact O-CB 3.5Å; H1649-A1653 PolarHBondContact O-N 3.14Å; N1650-A1653 WeakPolarHBondContact O-CB 3.37Å; N1650-A1653 PolarHBondContact O-N 3.34Å; A1653-R1657 WeakPolarHBondContact O-CB 3.45Å; A1653-R1657 VanDerWaalsContact O-CG 3.26Å; A1653-R1657 WeakPolarHBondContact O-CG 3.15Å; A1653-R1657 PolarHBondContact O-N 3.25Å; A1653-R1657 VanDerWaalsContact O-N 3.09Å; A1653-F1668 HydrophobicContact CB-CD2 4.12Å; A1653-F1668 HydrophobicContact CB-CE2 3.74Å |
| 1654 | C | 89.5 | Confident | 88.5 | Confident | 78 Ų | 78 | 68.2 Ų | 68.2 | 53% | 0.527 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.1 | -42 | 177.8 | -158.7 | 0 | 0 | 0 | 0 | 111.4 | N1650 E1651 R1657 S1658 | N1650-C1654 WeakPolarHBondContact O-CB 3.37Å; N1650-C1654 PolarHBondContact O-N 2.88Å; E1651-C1654 PolarHBondContact O-N 3.08Å; C1654-R1657 PolarHBondContact O-N 2.92Å; C1654-S1658 WeakPolarHBondContact O-CB 3.29Å; C1654-S1658 PolarHBondContact O-N 3.01Å; C1654-S1658 PolarHBondContact O-OG 3.39Å |
| 1655 | F | 92.3 | Very high | 88.4 | Confident | 27 Ų | 27 | 71.2 Ų | 71.2 | 12% | 0.118 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60 | -48.5 | 173.5 | -174 | -84.2 | 0 | 0 | 0 | 111.8 | L1616 L1619 W1632 E1651 V1652 R1657 S1658 R1659 | L1616-F1655 HydrophobicContact CD2-CB 3.99Å; L1616-F1655 HydrophobicContact CD2-CD1 3.25Å; L1616-F1655 HydrophobicContact CD2-CD2 3.78Å; L1616-F1655 HydrophobicContact CD2-CE1 3.51Å; L1616-F1655 HydrophobicContact CD2-CE2 3.99Å; L1616-F1655 HydrophobicContact CD2-CG 3.4Å; L1616-F1655 HydrophobicContact CD2-CZ 3.87Å; L1619-F1655 HydrophobicContact CB-CE1 4.41Å; L1619-F1655 HydrophobicContact CB-CZ 3.85Å; L1619-F1655 HydrophobicContact CD1-CE1 4.25Å; L1619-F1655 HydrophobicContact CD1-CZ 4.49Å; W1632-F1655 HydrophobicContact CH2-CE1 4.09Å; W1632-F1655 HydrophobicContact CZ2-CE1 4.32Å; E1651-F1655 WeakPolarHBondContact O-CB 3.31Å; E1651-F1655 PolarHBondContact O-N 2.96Å; V1652-F1655 PolarHBondContact O-N 3.42Å; F1655-R1657 VanDerWaalsContact C-N 3.25Å; F1655-R1657 PolarHBondContact O-N 3.46Å; F1655-S1658 WeakPolarHBondContact CA-OG 3.31Å; F1655-S1658 PolarHBondContact O-N 3.38Å; F1655-S1658 VanDerWaalsContact O-N 3.12Å; F1655-S1658 PolarHBondContact O-OG 2.88Å; F1655-R1659 HydrophobicContact CD1-CG 4.11Å; F1655-R1659 HydrophobicContact CE1-CG 3.8Å; F1655-R1659 HydrophobicContact CZ-CG 4.05Å; F1655-R1659 WeakPolarHBondContact O-CG 3.47Å; F1655-R1659 PolarHBondContact O-N 3.18Å |
| 1656 | L | 92 | Very high | 88.3 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 5% | 0.052 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.3 | -32.1 | 178.6 | -72.4 | 174 | 0 | 0 | 0 | 112.8 | W1632 L1635 V1652 A1664 C1667 F1668 I1671 | W1632-L1656 HydrophobicContact CH2-CD2 4.36Å; W1632-L1656 HydrophobicContact CZ3-CD2 3.81Å; L1635-L1656 HydrophobicContact CD2-CD2 3.79Å; V1652-L1656 HydrophobicContact CG1-CD1 4.03Å; V1652-L1656 HydrophobicContact CG1-CG 4.5Å; V1652-L1656 WeakPolarHBondContact O-CB 3.18Å; V1652-L1656 VanDerWaalsContact O-CG 3.28Å; V1652-L1656 WeakPolarHBondContact O-CG 3.38Å; V1652-L1656 PolarHBondContact O-N 3.28Å; L1656-A1664 HydrophobicContact CD2-CB 4.23Å; L1656-C1667 HydrophobicContact CD1-CB 4.03Å; L1656-C1667 HydrophobicContact CD2-CB 3.79Å; L1656-F1668 HydrophobicContact CD1-CB 4.1Å; L1656-I1671 HydrophobicContact CD1-CD1 3.97Å |
| 1657 | R | 89 | Confident | 88.6 | Confident | 187 Ų | 187 | 64.3 Ų | 64.3 | 71% | 0.706 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -77.2 | -28.8 | 174.7 | -72 | 170.4 | -178.9 | -174.3 | -0.7 | 113.8 | A1653 C1654 F1655 | A1653-R1657 WeakPolarHBondContact O-CB 3.45Å; A1653-R1657 VanDerWaalsContact O-CG 3.26Å; A1653-R1657 WeakPolarHBondContact O-CG 3.15Å; A1653-R1657 PolarHBondContact O-N 3.25Å; A1653-R1657 VanDerWaalsContact O-N 3.09Å; C1654-R1657 PolarHBondContact O-N 2.92Å; F1655-R1657 VanDerWaalsContact C-N 3.25Å; F1655-R1657 PolarHBondContact O-N 3.46Å |
| 1658 | S | 85.4 | Confident | 88.9 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 52% | 0.517 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -85 | -1.2 | -177.2 | 69.4 | 0 | 0 | 0 | 0 | 115.1 | C1654 F1655 | C1654-S1658 WeakPolarHBondContact O-CB 3.29Å; C1654-S1658 PolarHBondContact O-N 3.01Å; C1654-S1658 PolarHBondContact O-OG 3.39Å; F1655-S1658 WeakPolarHBondContact CA-OG 3.31Å; F1655-S1658 PolarHBondContact O-N 3.38Å; F1655-S1658 VanDerWaalsContact O-N 3.12Å; F1655-S1658 PolarHBondContact O-OG 2.88Å |
| 1659 | R | 84.2 | Confident | 88.9 | Confident | 94 Ų | 94 | 64.9 Ų | 64.9 | 36% | 0.355 | 34% | 0.34 | S | S | . | . | trans | -119.5 | 118.4 | -175.7 | -64.3 | -64 | -173.5 | -178.2 | -2.5 | 111.4 | W1632 F1655 H1661 | W1632-R1659 HydrophobicContact CH2-CB 3.73Å; W1632-R1659 HydrophobicContact CH2-CG 4.18Å; W1632-R1659 HydrophobicContact CZ2-CB 3.72Å; W1632-R1659 HydrophobicContact CZ2-CG 4.06Å; F1655-R1659 HydrophobicContact CD1-CG 4.11Å; F1655-R1659 HydrophobicContact CE1-CG 3.8Å; F1655-R1659 HydrophobicContact CZ-CG 4.05Å; F1655-R1659 WeakPolarHBondContact O-CG 3.47Å; F1655-R1659 PolarHBondContact O-N 3.18Å; R1659-H1661 PolarHBondContact O-N 3.36Å | ||
| 1660 | H | 82.2 | Confident | 88.9 | Confident | 205 Ų | 205 | 65.6 Ų | 65.6 | 95% | 0.949 | 34% | 0.342 | S | S | * | . | trans | -75.7 | 65.1 | 174.9 | -60.9 | -68.6 | 0 | 0 | 0 | 112.3 | ||||
| 1661 | H | 88.7 | Confident | 89 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 13% | 0.134 | 32% | 0.316 | C | S | . | . | trans | -117.4 | 132.8 | 173.4 | -170.6 | -97 | 0 | 0 | 0 | 109.9 | E1629 W1632 R1659 V1663 A1664 | E1629-H1661 IonicContact OE1-NE2 2.66Å; E1629-H1661 IonicContact OE2-CD2 2.66Å; E1629-H1661 IonicContact OE2-NE2 2.69Å; E1629-H1661 PolarHBondContact OE2-NE2 3.01Å; E1629-H1661 VanDerWaalsContact OE2-NE2 3.17Å; W1632-H1661 VanDerWaalsContact CB-CE1 3.45Å; W1632-H1661 WeakPolarHBondContact CB-CE1 3.44Å; W1632-H1661 AromaticContact CD1-CD2 3.6Å; W1632-H1661 AromaticContact CD1-CE1 3.77Å; W1632-H1661 AromaticContact CD1-CG 3.75Å; W1632-H1661 AromaticContact CD1-ND1 3.85Å; W1632-H1661 AromaticContact CD1-NE2 3.65Å; W1632-H1661 HydrophobicContact CD2-CB 4.01Å; W1632-H1661 AromaticContact CD2-CE1 3.94Å; W1632-H1661 AromaticContact CD2-CG 3.62Å; W1632-H1661 AromaticContact CD2-ND1 3.39Å; W1632-H1661 AromaticContact CE2-CG 3.6Å; W1632-H1661 AromaticContact CE2-ND1 3.91Å; W1632-H1661 HydrophobicContact CE3-CB 4.37Å; W1632-H1661 AromaticContact CE3-ND1 3.73Å; W1632-H1661 AromaticContact CG-CD2 3.96Å; W1632-H1661 AromaticContact CG-CE1 3.43Å; W1632-H1661 VanDerWaalsContact CG-CE1 3.43Å; W1632-H1661 AromaticContact CG-CG 3.76Å; W1632-H1661 AromaticContact CG-ND1 3.41Å; W1632-H1661 AromaticContact CG-NE2 3.79Å; W1632-H1661 HydrophobicContact CH2-CB 4.09Å; W1632-H1661 HydrophobicContact CZ2-CB 3.69Å; W1632-H1661 HydrophobicContact CZ3-CB 4.39Å; W1632-H1661 AromaticContact NE1-CD2 3.72Å; W1632-H1661 AromaticContact NE1-CG 3.65Å; R1659-H1661 PolarHBondContact O-N 3.36Å; H1661-V1663 PolarHBondContact ND1-N 3.11Å; H1661-V1663 PolarHBondContact O-N 3.1Å; H1661-A1664 HydrophobicContact CB-CB 4.41Å; H1661-A1664 VanDerWaalsContact O-CB 3.27Å; H1661-A1664 WeakPolarHBondContact O-CB 3.36Å; H1661-A1664 PolarHBondContact O-N 2.65Å | ||
| 1662 | P | 85.1 | Confident | 88.9 | Confident | 116 Ų | 116 | 58.2 Ų | 58.2 | 75% | 0.753 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.4 | -172.4 | 21.1 | -33.5 | 0 | 0 | 0 | 113.9 | ||
| 1663 | V | 89.8 | Confident | 88.7 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -12.3 | -179.3 | -168.9 | 0 | 0 | 0 | 0 | 112.7 | W1636 H1661 A1665 D1666 C1667 I1692 | W1636-V1663 HydrophobicContact CB-CG1 3.76Å; W1636-V1663 HydrophobicContact CG-CG1 3.76Å; H1661-V1663 PolarHBondContact ND1-N 3.11Å; H1661-V1663 PolarHBondContact O-N 3.1Å; V1663-A1665 PolarHBondContact O-N 3.24Å; V1663-D1666 PolarHBondContact O-N 2.7Å; V1663-C1667 PolarHBondContact O-N 2.72Å; V1663-C1667 PolarHBondContact O-SG 3.41Å; V1663-I1692 HydrophobicContact CG1-CD1 4.32Å |
| 1664 | A | 90.7 | Very high | 88.5 | Confident | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.2 | -39.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | W1632 L1656 H1661 D1666 C1667 F1668 | W1632-A1664 HydrophobicContact CH2-CB 3.84Å; W1632-A1664 HydrophobicContact CZ3-CB 3.63Å; L1656-A1664 HydrophobicContact CD2-CB 4.23Å; H1661-A1664 HydrophobicContact CB-CB 4.41Å; H1661-A1664 VanDerWaalsContact O-CB 3.27Å; H1661-A1664 WeakPolarHBondContact O-CB 3.36Å; H1661-A1664 PolarHBondContact O-N 2.65Å; A1664-D1666 VanDerWaalsContact C-N 3.32Å; A1664-C1667 PolarHBondContact O-N 3.11Å; A1664-F1668 PolarHBondContact O-N 3.07Å |
| 1665 | A | 88.3 | Confident | 88.2 | Confident | 68 Ų | 68 | 62.7 Ų | 62.7 | 56% | 0.562 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.9 | -37.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1663 F1668 N1669 | V1663-A1665 PolarHBondContact O-N 3.24Å; A1665-F1668 WeakPolarHBondContact O-CB 3.42Å; A1665-F1668 PolarHBondContact O-N 2.88Å; A1665-N1669 PolarHBondContact O-N 3.11Å; A1665-N1669 VanDerWaalsContact O-N 3.11Å |
| 1666 | D | 88.5 | Confident | 87.7 | Confident | 49 Ų | 49 | 72 Ų | 72 | 26% | 0.262 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.6 | -39.1 | 178.9 | -160.9 | 54 | 0 | 0 | 0 | 111.7 | W1636 V1663 A1664 F1668 N1669 R1670 T1697 | W1636-D1666 PolarHBondContact NE1-OD2 2.91Å; V1663-D1666 PolarHBondContact O-N 2.7Å; A1664-D1666 VanDerWaalsContact C-N 3.32Å; D1666-F1668 VanDerWaalsContact C-N 3.29Å; D1666-F1668 PolarHBondContact O-N 3.18Å; D1666-N1669 PolarHBondContact O-N 3.39Å; D1666-R1670 WeakPolarHBondContact O-CB 3.35Å; D1666-R1670 VanDerWaalsContact O-CG 3.28Å; D1666-R1670 WeakPolarHBondContact O-CG 3.33Å; D1666-R1670 PolarHBondContact O-N 3.31Å; D1666-R1670 WeakPolarHBondContact OD2-CD 3.48Å; D1666-T1697 WeakPolarHBondContact OD2-CG2 3.45Å |
| 1667 | C | 91.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.6 | -41.3 | 169.9 | -65 | 0 | 0 | 0 | 0 | 112.2 | W1636 S1639 L1656 V1663 A1664 R1670 I1671 | W1636-C1667 VanDerWaalsContact CA-SG 3.58Å; S1639-C1667 WeakPolarHBondContact CB-O 3.25Å; L1656-C1667 HydrophobicContact CD1-CB 4.03Å; L1656-C1667 HydrophobicContact CD2-CB 3.79Å; V1663-C1667 PolarHBondContact O-N 2.72Å; V1663-C1667 PolarHBondContact O-SG 3.41Å; A1664-C1667 PolarHBondContact O-N 3.11Å; C1667-R1670 PolarHBondContact O-N 2.71Å; C1667-I1671 WeakPolarHBondContact O-CG1 3.35Å; C1667-I1671 PolarHBondContact O-N 2.95Å |
| 1668 | F | 91.4 | Very high | 86.8 | Confident | 45 Ų | 45 | 66.6 Ų | 66.6 | 20% | 0.197 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65 | -45.2 | 178.1 | 179.7 | -96.6 | 0 | 0 | 0 | 111.5 | A1653 L1656 A1664 A1665 D1666 I1671 Q1672 | A1653-F1668 HydrophobicContact CB-CD2 4.12Å; A1653-F1668 HydrophobicContact CB-CE2 3.74Å; L1656-F1668 HydrophobicContact CD1-CB 4.1Å; A1664-F1668 PolarHBondContact O-N 3.07Å; A1665-F1668 WeakPolarHBondContact O-CB 3.42Å; A1665-F1668 PolarHBondContact O-N 2.88Å; D1666-F1668 VanDerWaalsContact C-N 3.29Å; D1666-F1668 PolarHBondContact O-N 3.18Å; F1668-I1671 PolarHBondContact O-N 3.46Å; F1668-Q1672 HydrophobicContact CE1-CG 4.14Å; F1668-Q1672 HydrophobicContact CZ-CG 4.26Å; F1668-Q1672 WeakPolarHBondContact O-CG 3.37Å; F1668-Q1672 PolarHBondContact O-N 2.82Å; F1668-Q1672 VanDerWaalsContact O-N 3.15Å |
| 1669 | N | 88.8 | Confident | 86.9 | Confident | 99 Ų | 99 | 65.4 Ų | 65.4 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 176.3 | -72.8 | -23.2 | 0 | 0 | 0 | 112.2 | A1665 D1666 I1671 Q1672 K1673 | A1665-N1669 PolarHBondContact O-N 3.11Å; A1665-N1669 VanDerWaalsContact O-N 3.11Å; D1666-N1669 PolarHBondContact O-N 3.39Å; N1669-I1671 PolarHBondContact O-N 3.17Å; N1669-Q1672 PolarHBondContact O-N 3.21Å; N1669-K1673 PolarHBondContact O-N 3.35Å |
| 1670 | R | 91.5 | Very high | 87.1 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 12% | 0.121 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 177.3 | -72.9 | 165.6 | 63.9 | 87.6 | -5.7 | 112.3 | W1636 S1639 D1666 C1667 K1673 S1674 S1717 | W1636-R1670 VanDerWaalsContact CE2-CZ 3.41Å; W1636-R1670 VanDerWaalsContact CZ2-CZ 3.4Å; W1636-R1670 VanDerWaalsContact NE1-CD 3.26Å; W1636-R1670 PolarHBondContact O-NE 2.93Å; W1636-R1670 PolarHBondContact O-NH2 3.4Å; S1639-R1670 CarbonylContact O-C 3.46Å; S1639-R1670 WeakPolarHBondContact OG-CB 3.36Å; S1639-R1670 PolarHBondContact OG-NE 3.28Å; S1639-R1670 VanDerWaalsContact OG-NE 3.09Å; D1666-R1670 WeakPolarHBondContact O-CB 3.35Å; D1666-R1670 VanDerWaalsContact O-CG 3.28Å; D1666-R1670 WeakPolarHBondContact O-CG 3.33Å; D1666-R1670 PolarHBondContact O-N 3.31Å; D1666-R1670 WeakPolarHBondContact OD2-CD 3.48Å; C1667-R1670 PolarHBondContact O-N 2.71Å; R1670-K1673 PolarHBondContact O-N 3.19Å; R1670-S1674 PolarHBondContact O-N 2.65Å; R1670-S1674 PolarHBondContact O-OG 3.34Å; R1670-S1717 PolarHBondContact NH1-OG 3.03Å; R1670-S1717 PolarHBondContact NH2-OG 3.03Å; R1670-S1717 VanDerWaalsContact NH2-OG 3.09Å |
| 1671 | I | 89.7 | Confident | 87.3 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 172.2 | -74.7 | 168.1 | 0 | 0 | 0 | 111.9 | Y1612 A1643 P1644 H1649 V1652 L1656 C1667 F1668 N1669 K1673 S1674 K1675 | Y1612-I1671 HydrophobicContact CE1-CD1 4.08Å; A1643-I1671 HydrophobicContact CB-CG2 4.28Å; P1644-I1671 HydrophobicContact CG-CG2 4.46Å; H1649-I1671 WeakPolarHBondContact CE1-CG2 3.47Å; H1649-I1671 WeakPolarHBondContact NE2-CG2 3.36Å; V1652-I1671 HydrophobicContact CG1-CD1 3.65Å; L1656-I1671 HydrophobicContact CD1-CD1 3.97Å; C1667-I1671 WeakPolarHBondContact O-CG1 3.35Å; C1667-I1671 PolarHBondContact O-N 2.95Å; F1668-I1671 PolarHBondContact O-N 3.46Å; N1669-I1671 PolarHBondContact O-N 3.17Å; I1671-K1673 VanDerWaalsContact C-N 3.26Å; I1671-K1673 PolarHBondContact O-N 3.13Å; I1671-S1674 PolarHBondContact O-OG 2.82Å; I1671-K1675 WeakPolarHBondContact O-CB 3.24Å; I1671-K1675 PolarHBondContact O-N 2.86Å; I1671-K1675 VanDerWaalsContact O-N 3.16Å |
| 1672 | Q | 88.2 | Confident | 87.2 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.9 | -31.4 | 178 | -64.2 | -60.4 | -18.2 | 0 | 0 | 112.1 | H1649 F1668 N1669 | H1649-Q1672 VanDerWaalsContact NE2-CD 3.28Å; H1649-Q1672 PolarHBondContact NE2-NE2 3.03Å; F1668-Q1672 HydrophobicContact CE1-CG 4.14Å; F1668-Q1672 HydrophobicContact CZ-CG 4.26Å; F1668-Q1672 WeakPolarHBondContact O-CG 3.37Å; F1668-Q1672 PolarHBondContact O-N 2.82Å; F1668-Q1672 VanDerWaalsContact O-N 3.15Å; N1669-Q1672 PolarHBondContact O-N 3.21Å |
| 1673 | K | 86.7 | Confident | 87.4 | Confident | 89 Ų | 89 | 54.6 Ų | 54.6 | 39% | 0.387 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -76.1 | -48.7 | 179.7 | -142.7 | 167.9 | -174.5 | 175.3 | 0 | 112.2 | N1669 R1670 I1671 K1675 R1676 T1677 E1716 | N1669-K1673 PolarHBondContact O-N 3.35Å; R1670-K1673 PolarHBondContact O-N 3.19Å; I1671-K1673 VanDerWaalsContact C-N 3.26Å; I1671-K1673 PolarHBondContact O-N 3.13Å; K1673-K1675 PolarHBondContact O-N 3.02Å; K1673-R1676 PolarHBondContact O-N 2.96Å; K1673-T1677 PolarHBondContact O-N 2.81Å; K1673-T1677 PolarHBondContact O-OG1 2.67Å; K1673-T1677 VanDerWaalsContact O-OG1 3.1Å; K1673-E1716 WeakPolarHBondContact CD-OE2 3.47Å; K1673-E1716 VanDerWaalsContact CE-OE2 3.26Å; K1673-E1716 WeakPolarHBondContact CE-OE2 3.47Å; K1673-E1716 IonicContact NZ-OE1 3.25Å; K1673-E1716 PolarHBondContact NZ-OE1 2.95Å; K1673-E1716 IonicContact NZ-OE2 3.17Å; K1673-E1716 PolarHBondContact NZ-OE2 3.34Å |
| 1674 | S | 84.3 | Confident | 87.4 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.5 | -27.1 | 176.6 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | S1639 A1643 R1670 I1671 R1676 G1678 | S1639-S1674 PolarHBondContact O-OG 3.16Å; A1643-S1674 PolarHBondContact N-OG 2.89Å; R1670-S1674 PolarHBondContact O-N 2.65Å; R1670-S1674 PolarHBondContact O-OG 3.34Å; I1671-S1674 PolarHBondContact O-OG 2.82Å; S1674-R1676 PolarHBondContact O-N 3.3Å; S1674-G1678 CarbonylContact O-C 3.58Å; S1674-G1678 PolarHBondContact O-N 3.39Å; S1674-G1678 VanDerWaalsContact O-N 3.13Å; S1674-G1678 VanDerWaalsContact O-O 3.11Å |
| 1675 | K | 82.7 | Confident | 87.2 | Confident | 92 Ų | 92 | 54.2 Ų | 54.2 | 40% | 0.4 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.3 | -19.6 | 170.4 | -159.5 | 171.6 | -174.7 | 177.5 | 0 | 113.9 | A1643 I1671 K1673 | A1643-K1675 HydrophobicContact CB-CB 3.85Å; A1643-K1675 HydrophobicContact CB-CD 4.47Å; A1643-K1675 HydrophobicContact CB-CG 4.16Å; I1671-K1675 WeakPolarHBondContact O-CB 3.24Å; I1671-K1675 PolarHBondContact O-N 2.86Å; I1671-K1675 VanDerWaalsContact O-N 3.16Å; K1673-K1675 PolarHBondContact O-N 3.02Å |
| 1676 | R | 82.7 | Confident | 87 | Confident | 222 Ų | 222 | 54.8 Ų | 54.8 | 84% | 0.838 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -99.9 | -41.2 | 176.2 | -63.9 | -179.5 | -174.8 | -172.5 | 1 | 113.2 | K1673 S1674 | K1673-R1676 PolarHBondContact O-N 2.96Å; S1674-R1676 PolarHBondContact O-N 3.3Å |
| 1677 | T | 80.7 | Confident | 86.9 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 31% | 0.307 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -86.1 | -15.3 | -174.6 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | K1673 C1718 | K1673-T1677 PolarHBondContact O-N 2.81Å; K1673-T1677 PolarHBondContact O-OG1 2.67Å; K1673-T1677 VanDerWaalsContact O-OG1 3.1Å; T1677-C1718 WeakPolarHBondContact OG1-CB 3.45Å |
| 1678 | G | 82.1 | Confident | 86.7 | Confident | 35 Ų | 35 | 54.8 Ų | 54.8 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | trans | 101.7 | -178.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1674 | S1674-G1678 CarbonylContact O-C 3.58Å; S1674-G1678 PolarHBondContact O-N 3.39Å; S1674-G1678 VanDerWaalsContact O-N 3.13Å; S1674-G1678 VanDerWaalsContact O-O 3.11Å | ||
| 1679 | S | 86.4 | Confident | 86.6 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | trans | -94.4 | 139.2 | -178.5 | -48.5 | 0 | 0 | 0 | 0 | 111.7 | R1608 L1641 F1776 | R1608-S1679 PolarHBondContact NH1-OG 2.95Å; L1641-S1679 WeakPolarHBondContact O-CA 3.32Å; S1679-F1776 VanDerWaalsContact O-CE2 3.31Å; S1679-F1776 WeakPolarHBondContact O-CE2 3.15Å | ||
| 1680 | R | 89 | Confident | 86.5 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | trans | -58.1 | 145.8 | 168.8 | -78 | -82.9 | -68.7 | -82.7 | -7.8 | 111.3 | I1602 L1641 P1683 E1688 S1717 F1776 D1779 | I1602-R1680 VanDerWaalsContact CG2-O 3.24Å; I1602-R1680 WeakPolarHBondContact CG2-O 3.3Å; L1641-R1680 HydrophobicContact CD2-CB 3.98Å; L1641-R1680 HydrophobicContact CD2-CG 4.08Å; L1641-R1680 PolarHBondContact O-N 2.97Å; R1680-P1683 PolarHBondContact NH2-O 2.77Å; R1680-E1688 IonicContact CZ-OE1 3.39Å; R1680-E1688 IonicContact CZ-OE2 3.78Å; R1680-E1688 VanDerWaalsContact NH1-CD 3.34Å; R1680-E1688 IonicContact NH1-OE1 3.44Å; R1680-E1688 PolarHBondContact NH1-OE1 3.04Å; R1680-E1688 IonicContact NH1-OE2 2.67Å; R1680-E1688 PolarHBondContact NH1-OE2 3.41Å; R1680-E1688 IonicContact NH2-OE1 3.7Å; R1680-E1688 IonicContact NH2-OE2 2.71Å; R1680-E1688 PolarHBondContact NH2-OE2 3.35Å; R1680-S1717 WeakPolarHBondContact CD-O 3.36Å; R1680-S1717 PolarHBondContact NH1-O 2.91Å; R1680-F1776 HydrophobicContact CG-CD2 4.47Å; R1680-F1776 HydrophobicContact CG-CG 4.5Å; R1680-D1779 WeakPolarHBondContact CD-OD2 3.31Å; R1680-D1779 IonicContact CZ-OD1 2.93Å; R1680-D1779 VanDerWaalsContact NE-CG 3.32Å; R1680-D1779 IonicContact NE-OD1 2.72Å; R1680-D1779 PolarHBondContact NE-OD1 2.9Å; R1680-D1779 IonicContact NE-OD2 3.3Å; R1680-D1779 IonicContact NH2-OD1 3.86Å | ||
| 1681 | K | 85.9 | Confident | 86.3 | Confident | 127 Ų | 127 | 50.2 Ų | 50.2 | 55% | 0.552 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -85.4 | -26.9 | 177.2 | -65.5 | 178 | 176.4 | 176.7 | 0 | 112.7 | I1602 D1775 D1779 | I1602-K1681 WeakPolarHBondContact CG2-O 3.34Å; K1681-D1775 WeakPolarHBondContact CE-OD1 3.49Å; K1681-D1775 IonicContact NZ-OD1 2.71Å; K1681-D1775 PolarHBondContact NZ-OD1 3.46Å; K1681-D1779 WeakPolarHBondContact CB-OD2 3.26Å; K1681-D1779 PolarHBondContact N-OD2 3Å |
| 1682 | Y | 87.5 | Confident | 86.3 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 31% | 0.306 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -129.3 | 159.3 | -179.1 | -62.7 | -96.1 | 0 | 0 | 0 | 112.6 | I1602 D1779 C1783 | I1602-Y1682 WeakPolarHBondContact CD1-O 3.3Å; Y1682-D1779 WeakPolarHBondContact CA-OD1 3.28Å; Y1682-D1779 WeakPolarHBondContact CB-OD1 3.49Å; Y1682-D1779 HydrophobicContact CD2-CB 3.72Å; Y1682-D1779 HydrophobicContact CE2-CB 4.42Å; Y1682-D1779 PolarHBondContact N-OD1 3.17Å; Y1682-C1783 HydrophobicContact CE2-CB 4.35Å; Y1682-C1783 PolarHBondContact OH-SG 3.08Å |
| 1683 | P | 89.1 | Confident | 86.2 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -55.1 | 168.4 | 173.4 | -25.9 | 35.3 | 0 | 0 | 0 | 113.7 | E1595 F1598 A1599 R1680 H1685 | E1595-P1683 HydrophobicContact CG-CG 4.42Å; F1598-P1683 HydrophobicContact CB-CB 4.45Å; A1599-P1683 HydrophobicContact CB-CG 3.66Å; R1680-P1683 PolarHBondContact NH2-O 2.77Å; P1683-H1685 PolarHBondContact O-N 3.19Å |
| 1684 | P | 88.7 | Confident | 86.2 | Confident | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -52.1 | 137.7 | 175 | -23.8 | 33.8 | 0 | 0 | 0 | 111.8 | F1598 L1637 L1641 E1688 V1689 | F1598-P1684 HydrophobicContact CD2-CG 3.75Å; F1598-P1684 HydrophobicContact CE2-CG 4.14Å; L1637-P1684 HydrophobicContact CB-CG 4.2Å; L1637-P1684 HydrophobicContact CD2-CB 3.99Å; L1637-P1684 HydrophobicContact CD2-CG 4.11Å; L1641-P1684 HydrophobicContact CD1-CG 3.87Å; L1641-P1684 HydrophobicContact CD2-CG 4.08Å; L1641-P1684 HydrophobicContact CG-CG 4.36Å; P1684-E1688 WeakPolarHBondContact CA-OE2 3.33Å; P1684-E1688 HydrophobicContact CB-CB 4.27Å; P1684-V1689 HydrophobicContact CB-CG2 3.91Å |
| 1685 | H | 86.6 | Confident | 86.2 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 6% | 0.06 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 155 | 171 | -170.2 | -115.4 | 0 | 0 | 0 | 110.2 | P1683 V1687 E1688 V1689 F1778 Y1802 | P1683-H1685 PolarHBondContact O-N 3.19Å; H1685-V1687 PolarHBondContact O-N 3.21Å; H1685-E1688 HydrophobicContact CB-CG 4.41Å; H1685-E1688 PolarHBondContact N-OE2 3.42Å; H1685-E1688 WeakPolarHBondContact O-CA 3.4Å; H1685-E1688 WeakPolarHBondContact O-CB 3.46Å; H1685-E1688 PolarHBondContact O-N 3.43Å; H1685-V1689 PolarHBondContact O-N 3.29Å; H1685-F1778 HydrophobicContact CB-CB 4Å; H1685-F1778 HydrophobicContact CB-CD1 3.78Å; H1685-F1778 HydrophobicContact CB-CG 4.16Å; H1685-Y1802 PolarHBondContact CE1-OH 2.84Å |
| 1686 | Q | 85.2 | Confident | 86.4 | Confident | 80 Ų | 80 | 60.3 Ų | 60.3 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -52.8 | -36 | -177.7 | 176.8 | 170.5 | -15.1 | 0 | 0 | 112.9 | E1688 V1689 E1690 | Q1686-E1688 VanDerWaalsContact C-N 3.34Å; Q1686-E1688 PolarHBondContact O-N 2.92Å; Q1686-V1689 PolarHBondContact O-N 3.15Å; Q1686-E1690 HydrophobicContact CG-CG 4.26Å; Q1686-E1690 WeakPolarHBondContact CG-OE1 3.31Å; Q1686-E1690 PolarHBondContact NE2-OE1 2.96Å; Q1686-E1690 PolarHBondContact O-N 2.97Å |
| 1687 | V | 85.2 | Confident | 86.3 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 29% | 0.285 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.5 | -36.9 | 176.7 | -178 | 0 | 0 | 0 | 0 | 112.3 | H1685 V1689 A1691 V1699 F1778 | H1685-V1687 PolarHBondContact O-N 3.21Å; V1687-V1689 VanDerWaalsContact C-N 3.34Å; V1687-A1691 WeakPolarHBondContact O-CB 3.32Å; V1687-A1691 PolarHBondContact O-N 3.14Å; V1687-V1699 HydrophobicContact CG1-CG1 3.68Å; V1687-F1778 HydrophobicContact CB-CE1 4.38Å |
| 1688 | E | 87.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.5 | -34.4 | 176.4 | -56.3 | -179.8 | 88.3 | 0 | 0 | 111.4 | L1637 R1680 P1684 H1685 Q1686 S1717 F1778 | L1637-E1688 HydrophobicContact CD2-CB 4.44Å; R1680-E1688 IonicContact CZ-OE1 3.39Å; R1680-E1688 IonicContact CZ-OE2 3.78Å; R1680-E1688 VanDerWaalsContact NH1-CD 3.34Å; R1680-E1688 IonicContact NH1-OE1 3.44Å; R1680-E1688 PolarHBondContact NH1-OE1 3.04Å; R1680-E1688 IonicContact NH1-OE2 2.67Å; R1680-E1688 PolarHBondContact NH1-OE2 3.41Å; R1680-E1688 IonicContact NH2-OE1 3.7Å; R1680-E1688 IonicContact NH2-OE2 2.71Å; R1680-E1688 PolarHBondContact NH2-OE2 3.35Å; P1684-E1688 WeakPolarHBondContact CA-OE2 3.33Å; P1684-E1688 HydrophobicContact CB-CB 4.27Å; H1685-E1688 HydrophobicContact CB-CG 4.41Å; H1685-E1688 PolarHBondContact N-OE2 3.42Å; H1685-E1688 WeakPolarHBondContact O-CA 3.4Å; H1685-E1688 WeakPolarHBondContact O-CB 3.46Å; H1685-E1688 PolarHBondContact O-N 3.43Å; Q1686-E1688 VanDerWaalsContact C-N 3.34Å; Q1686-E1688 PolarHBondContact O-N 2.92Å; E1688-S1717 VanDerWaalsContact OE1-CA 3.32Å; E1688-S1717 WeakPolarHBondContact OE1-CA 3.39Å; E1688-S1717 WeakPolarHBondContact OE1-CB 3.48Å; E1688-S1717 PolarHBondContact OE1-OG 3.49Å; E1688-F1778 VanDerWaalsContact CD-CD2 3.46Å; E1688-F1778 HydrophobicContact CG-CD1 4.24Å; E1688-F1778 HydrophobicContact CG-CD2 3.81Å; E1688-F1778 HydrophobicContact CG-CE1 4.22Å; E1688-F1778 HydrophobicContact CG-CE2 3.78Å; E1688-F1778 HydrophobicContact CG-CG 4.05Å; E1688-F1778 HydrophobicContact CG-CZ 4Å |
| 1689 | V | 89.4 | Confident | 86.7 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -74.3 | -47.2 | 177.6 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | V1590 T1594 L1637 P1684 H1685 Q1686 V1687 A1691 I1692 Q1693 | V1590-V1689 HydrophobicContact CB-CG1 4.44Å; V1590-V1689 HydrophobicContact CG1-CG1 3.53Å; T1594-V1689 HydrophobicContact CG2-CG1 4.35Å; T1594-V1689 HydrophobicContact CG2-CG2 4.16Å; L1637-V1689 HydrophobicContact CD1-CG2 4.25Å; L1637-V1689 HydrophobicContact CD2-CG2 4.29Å; P1684-V1689 HydrophobicContact CB-CG2 3.91Å; H1685-V1689 PolarHBondContact O-N 3.29Å; Q1686-V1689 PolarHBondContact O-N 3.15Å; V1687-V1689 VanDerWaalsContact C-N 3.34Å; V1689-A1691 VanDerWaalsContact C-N 3.27Å; V1689-A1691 PolarHBondContact O-N 3.28Å; V1689-I1692 WeakPolarHBondContact O-CG2 3.39Å; V1689-I1692 PolarHBondContact O-N 2.81Å; V1689-Q1693 WeakPolarHBondContact O-CG 3.37Å; V1689-Q1693 PolarHBondContact O-N 3.29Å; V1689-Q1693 VanDerWaalsContact O-N 3.13Å |
| 1690 | E | 86.3 | Confident | 86.7 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.8 | -31.8 | 179 | -76.4 | -170 | -141.5 | 0 | 0 | 113 | Q1686 R1694 | Q1686-E1690 HydrophobicContact CG-CG 4.26Å; Q1686-E1690 WeakPolarHBondContact CG-OE1 3.31Å; Q1686-E1690 PolarHBondContact NE2-OE1 2.96Å; Q1686-E1690 PolarHBondContact O-N 2.97Å; E1690-R1694 VanDerWaalsContact O-CG 3.24Å; E1690-R1694 WeakPolarHBondContact O-CG 3.33Å; E1690-R1694 PolarHBondContact O-N 3.42Å; E1690-R1694 VanDerWaalsContact O-N 3.16Å; E1690-R1694 IonicContact OE2-CZ 3.54Å; E1690-R1694 IonicContact OE2-NH2 3.55Å; E1690-R1694 PolarHBondContact OE2-NH2 2.79Å |
| 1691 | A | 87.6 | Confident | 86.7 | Confident | 10 Ų | 10 | 58.1 Ų | 58.1 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.5 | -52.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1687 V1689 Q1693 R1694 K1695 T1696 V1699 | V1687-A1691 WeakPolarHBondContact O-CB 3.32Å; V1687-A1691 PolarHBondContact O-N 3.14Å; V1689-A1691 VanDerWaalsContact C-N 3.27Å; V1689-A1691 PolarHBondContact O-N 3.28Å; A1691-Q1693 VanDerWaalsContact C-N 3.31Å; A1691-Q1693 PolarHBondContact O-N 2.93Å; A1691-R1694 CarbonylContact O-C 3.55Å; A1691-R1694 WeakPolarHBondContact O-CA 3.19Å; A1691-R1694 PolarHBondContact O-N 2.91Å; A1691-K1695 PolarHBondContact O-N 2.76Å; A1691-T1696 CarbonylContact C-O 3.53Å; A1691-T1696 VanDerWaalsContact C-O 3.24Å; A1691-T1696 WeakPolarHBondContact CA-OG1 3.31Å; A1691-T1696 PolarHBondContact O-N 2.87Å; A1691-T1696 PolarHBondContact O-OG1 2.81Å; A1691-V1699 HydrophobicContact CB-CG2 3.69Å |
| 1692 | I | 89.5 | Confident | 86.9 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.4 | -31.3 | -177.7 | -162.9 | 60.4 | 0 | 0 | 0 | 112.3 | E1633 W1636 L1637 V1663 V1689 R1694 K1695 T1697 | E1633-I1692 HydrophobicContact CB-CG1 4.36Å; E1633-I1692 HydrophobicContact CB-CG2 4.28Å; E1633-I1692 HydrophobicContact CG-CG1 4.33Å; W1636-I1692 HydrophobicContact CB-CD1 4.14Å; W1636-I1692 HydrophobicContact CB-CG1 4.18Å; W1636-I1692 HydrophobicContact CD2-CB 4.33Å; W1636-I1692 HydrophobicContact CD2-CD1 3.61Å; W1636-I1692 HydrophobicContact CD2-CG1 3.91Å; W1636-I1692 HydrophobicContact CE3-CB 3.64Å; W1636-I1692 HydrophobicContact CE3-CD1 3.85Å; W1636-I1692 HydrophobicContact CE3-CG1 3.67Å; W1636-I1692 HydrophobicContact CE3-CG2 4.14Å; W1636-I1692 HydrophobicContact CG-CD1 3.74Å; W1636-I1692 HydrophobicContact CG-CG1 4.15Å; W1636-I1692 HydrophobicContact CZ3-CB 3.85Å; W1636-I1692 HydrophobicContact CZ3-CD1 4.49Å; W1636-I1692 HydrophobicContact CZ3-CG1 4.35Å; W1636-I1692 HydrophobicContact CZ3-CG2 4.39Å; L1637-I1692 HydrophobicContact CD1-CG2 4.21Å; L1637-I1692 HydrophobicContact CD2-CG2 4.1Å; L1637-I1692 HydrophobicContact CG-CG2 4.05Å; V1663-I1692 HydrophobicContact CG1-CD1 4.32Å; V1689-I1692 WeakPolarHBondContact O-CG2 3.39Å; V1689-I1692 PolarHBondContact O-N 2.81Å; I1692-R1694 VanDerWaalsContact C-N 3.27Å; I1692-R1694 PolarHBondContact O-N 2.96Å; I1692-K1695 VanDerWaalsContact O-CA 3.32Å; I1692-K1695 WeakPolarHBondContact O-CA 3.41Å; I1692-K1695 PolarHBondContact O-N 2.82Å; I1692-T1697 HydrophobicContact CD1-CG2 4.27Å |
| 1693 | Q | 87.4 | Confident | 87 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 33% | 0.332 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.8 | -21.9 | 172.1 | -68.2 | -157 | -49.9 | 0 | 0 | 114 | Y1577 E1633 V1689 A1691 K1695 | Y1577-Q1693 PolarHBondContact OH-NE2 2.81Å; E1633-Q1693 PolarHBondContact OE2-NE2 3Å; V1689-Q1693 WeakPolarHBondContact O-CG 3.37Å; V1689-Q1693 PolarHBondContact O-N 3.29Å; V1689-Q1693 VanDerWaalsContact O-N 3.13Å; A1691-Q1693 VanDerWaalsContact C-N 3.31Å; A1691-Q1693 PolarHBondContact O-N 2.93Å; Q1693-K1695 VanDerWaalsContact C-N 3.26Å |
| 1694 | R | 86.9 | Confident | 87.1 | Confident | 180 Ų | 180 | 54.8 Ų | 54.8 | 68% | 0.679 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 8.3 | 167.8 | -64.4 | 172.6 | -159.7 | -164 | 8.8 | 112.4 | E1690 A1691 I1692 T1696 | E1690-R1694 VanDerWaalsContact O-CG 3.24Å; E1690-R1694 WeakPolarHBondContact O-CG 3.33Å; E1690-R1694 PolarHBondContact O-N 3.42Å; E1690-R1694 VanDerWaalsContact O-N 3.16Å; E1690-R1694 IonicContact OE2-CZ 3.54Å; E1690-R1694 IonicContact OE2-NH2 3.55Å; E1690-R1694 PolarHBondContact OE2-NH2 2.79Å; A1691-R1694 CarbonylContact O-C 3.55Å; A1691-R1694 WeakPolarHBondContact O-CA 3.19Å; A1691-R1694 PolarHBondContact O-N 2.91Å; I1692-R1694 VanDerWaalsContact C-N 3.27Å; I1692-R1694 PolarHBondContact O-N 2.96Å; R1694-T1696 PolarHBondContact O-N 3Å |
| 1695 | K | 83.9 | Confident | 87.2 | Confident | 143 Ų | 143 | 54.6 Ų | 54.6 | 62% | 0.622 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 27 | -174.5 | -55.3 | -163.3 | -178.8 | -168.4 | 0 | 114.8 | E1629 A1691 I1692 Q1693 | E1629-K1695 WeakPolarHBondContact OE1-CE 3.47Å; E1629-K1695 IonicContact OE1-NZ 3.74Å; E1629-K1695 PolarHBondContact OE1-NZ 3.48Å; A1691-K1695 PolarHBondContact O-N 2.76Å; I1692-K1695 VanDerWaalsContact O-CA 3.32Å; I1692-K1695 WeakPolarHBondContact O-CA 3.41Å; I1692-K1695 PolarHBondContact O-N 2.82Å; Q1693-K1695 VanDerWaalsContact C-N 3.26Å |
| 1696 | T | 85.8 | Confident | 87.2 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 40% | 0.399 | 25% | 0.253 | S | S | . | . | trans | -103.1 | 122 | 173.7 | 59 | 0 | 0 | 0 | 0 | 110.5 | A1691 R1694 | A1691-T1696 CarbonylContact C-O 3.53Å; A1691-T1696 VanDerWaalsContact C-O 3.24Å; A1691-T1696 WeakPolarHBondContact CA-OG1 3.31Å; A1691-T1696 PolarHBondContact O-N 2.87Å; A1691-T1696 PolarHBondContact O-OG1 2.81Å; R1694-T1696 PolarHBondContact O-N 3Å | ||
| 1697 | T | 82 | Confident | 87.1 | Confident | 55 Ų | 55 | 52.9 Ų | 52.9 | 34% | 0.337 | 25% | 0.249 | S | C | . | . | trans | -85.5 | -22.4 | 175.5 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | W1636 D1666 I1692 | W1636-T1697 HydrophobicContact CZ2-CG2 4.29Å; W1636-T1697 VanDerWaalsContact CZ2-O 3.3Å; W1636-T1697 WeakPolarHBondContact CZ2-O 3.12Å; D1666-T1697 WeakPolarHBondContact OD2-CG2 3.45Å; I1692-T1697 HydrophobicContact CD1-CG2 4.27Å | ||
| 1698 | Q | 84.3 | Confident | 86.8 | Confident | 103 Ų | 103 | 54.5 Ų | 54.5 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | trans | -82.8 | 133.6 | 173.3 | -54.1 | -165.1 | -77.6 | 0 | 0 | 110.4 | F1700 E1714 | Q1698-F1700 HydrophobicContact CB-CD2 4.44Å; Q1698-F1700 HydrophobicContact CB-CE2 3.8Å; Q1698-E1714 WeakPolarHBondContact CB-OE1 3.45Å; Q1698-E1714 VanDerWaalsContact CG-OE1 3.24Å; Q1698-E1714 WeakPolarHBondContact CG-OE1 3.25Å; Q1698-E1714 PolarHBondContact NE2-OE1 3.47Å | ||
| 1699 | V | 85.4 | Confident | 86.7 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | trans | -121.2 | 110.4 | -179 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | V1687 A1691 E1714 V1715 F1778 | V1687-V1699 HydrophobicContact CG1-CG1 3.68Å; A1691-V1699 HydrophobicContact CB-CG2 3.69Å; V1699-E1714 CarbonylContact O-C 3.56Å; V1699-E1714 WeakPolarHBondContact O-CA 3.4Å; V1699-V1715 PolarHBondContact O-N 3.48Å; V1699-F1778 HydrophobicContact CG1-CZ 3.98Å | ||
| 1700 | F | 87.4 | Confident | 86.7 | Confident | 120 Ų | 120 | 64.3 Ų | 64.3 | 53% | 0.526 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 134.9 | 178.3 | -69.2 | -90.8 | 0 | 0 | 0 | 111.2 | Q1698 I1713 E1714 | Q1698-F1700 HydrophobicContact CB-CD2 4.44Å; Q1698-F1700 HydrophobicContact CB-CE2 3.8Å; F1700-I1713 WeakPolarHBondContact CA-O 3.11Å; F1700-E1714 HydrophobicContact CD1-CB 4.19Å; F1700-E1714 HydrophobicContact CE1-CB 3.85Å; F1700-E1714 HydrophobicContact CZ-CB 4.24Å |
| 1701 | H | 88.6 | Confident | 86.6 | Confident | 25 Ų | 25 | 63.6 Ų | 63.6 | 12% | 0.116 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 139.3 | 175.2 | -151.2 | -70.7 | 0 | 0 | 0 | 110.7 | I1713 V1715 F1777 Y1802 | H1701-I1713 PolarHBondContact N-O 2.99Å; H1701-I1713 PolarHBondContact O-N 3.24Å; H1701-V1715 HydrophobicContact CB-CG2 3.59Å; H1701-F1777 HydrophobicContact CB-CE1 4.29Å; H1701-F1777 HydrophobicContact CB-CZ 4.19Å; H1701-F1777 AromaticContact CD2-CE1 3.72Å; H1701-F1777 AromaticContact CD2-CZ 3.89Å; H1701-F1777 AromaticContact CG-CE1 3.9Å; H1701-F1777 AromaticContact CG-CZ 3.71Å; H1701-F1777 AromaticContact ND1-CZ 3.88Å; H1701-Y1802 AromaticContact CE1-CE2 3.62Å; H1701-Y1802 AromaticContact NE2-CE2 3.46Å; H1701-Y1802 WeakPolarHBondContact NE2-CE2 3.44Å; H1701-Y1802 AromaticContact NE2-CZ 3.61Å; H1701-Y1802 PolarHBondContact NE2-OH 3.26Å |
| 1702 | K | 90.1 | Very high | 86.6 | Confident | 89 Ų | 89 | 65.5 Ų | 65.5 | 39% | 0.387 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 136.9 | 171.7 | -67.4 | -167.8 | 173.4 | -163.7 | 0 | 110.8 | Y1704 F1710 E1711 | K1702-Y1704 HydrophobicContact CB-CE2 3.97Å; K1702-F1710 HydrophobicContact CB-CD2 4.49Å; K1702-F1710 HydrophobicContact CD-CD2 3.69Å; K1702-F1710 HydrophobicContact CD-CE2 3.79Å; K1702-F1710 HydrophobicContact CD-CG 4.3Å; K1702-F1710 HydrophobicContact CD-CZ 4.45Å; K1702-F1710 VanDerWaalsContact CE-CE2 3.46Å; K1702-F1710 HydrophobicContact CG-CD2 4.07Å; K1702-F1710 HydrophobicContact CG-CE2 4.45Å; K1702-E1711 CarbonylContact C-O 3.56Å; K1702-E1711 VanDerWaalsContact CA-O 3.31Å; K1702-E1711 WeakPolarHBondContact CA-O 3.48Å |
| 1703 | V | 90.5 | Very high | 86.6 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 120 | 170.3 | 177.9 | 0 | 0 | 0 | 0 | 107.5 | F1705 F1710 E1711 I1728 L1742 I1804 M1806 | V1703-F1705 HydrophobicContact CG1-CE1 4.08Å; V1703-F1710 CarbonylContact O-C 3.49Å; V1703-F1710 WeakPolarHBondContact O-CA 3.48Å; V1703-F1710 WeakPolarHBondContact O-CB 3.09Å; V1703-E1711 PolarHBondContact N-O 3.41Å; V1703-E1711 PolarHBondContact O-N 3.05Å; V1703-I1728 HydrophobicContact CB-CD1 4.23Å; V1703-I1728 HydrophobicContact CG1-CD1 4.12Å; V1703-I1728 HydrophobicContact CG2-CD1 4.05Å; V1703-L1742 HydrophobicContact CG1-CD2 3.94Å; V1703-I1804 WeakPolarHBondContact CA-O 3.48Å; V1703-I1804 HydrophobicContact CG1-CG2 4.24Å; V1703-I1804 HydrophobicContact CG2-CG2 4.04Å; V1703-M1806 HydrophobicContact CG1-CB 3.98Å |
| 1704 | Y | 91.2 | Very high | 86.6 | Confident | 52 Ų | 52 | 64.9 Ų | 64.9 | 20% | 0.204 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 160.1 | -178.3 | -64.5 | -96.8 | 0 | 0 | 0 | 111.2 | K1702 M1709 F1710 Q1803 I1804 Y1805 M1806 | K1702-Y1704 HydrophobicContact CB-CE2 3.97Å; Y1704-M1709 CarbonylContact C-O 3.59Å; Y1704-M1709 WeakPolarHBondContact CA-O 3.35Å; Y1704-F1710 HydrophobicContact CD1-CB 3.68Å; Y1704-F1710 HydrophobicContact CD1-CD1 4.44Å; Y1704-F1710 HydrophobicContact CD1-CG 4.41Å; Y1704-F1710 HydrophobicContact CE1-CB 3.96Å; Y1704-F1710 HydrophobicContact CE1-CD1 4.08Å; Y1704-F1710 HydrophobicContact CE1-CG 4.22Å; Y1704-F1710 HydrophobicContact CG-CB 4.03Å; Y1704-Q1803 HydrophobicContact CD2-CB 4.14Å; Y1704-Q1803 HydrophobicContact CD2-CG 4.4Å; Y1704-Q1803 HydrophobicContact CE2-CB 4.23Å; Y1704-Q1803 HydrophobicContact CE2-CG 4.06Å; Y1704-I1804 WeakPolarHBondContact CD2-O 3.23Å; Y1704-I1804 PolarHBondContact N-O 3.47Å; Y1704-Y1805 HydrophobicContact CG-CE1 4.26Å; Y1704-Y1805 CarbonylContact O-C 3.56Å; Y1704-Y1805 VanDerWaalsContact O-CA 3.22Å; Y1704-Y1805 WeakPolarHBondContact O-CA 3.48Å; Y1704-M1806 PolarHBondContact O-N 2.8Å |
| 1705 | F | 90.1 | Very high | 86.7 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | trans | -124.5 | 161.8 | -180 | -53.8 | -45 | 0 | 0 | 0 | 110.7 | V1703 N1707 D1708 M1709 E1711 I1728 L1732 M1806 V1825 F1826 | V1703-F1705 HydrophobicContact CG1-CE1 4.08Å; F1705-N1707 WeakPolarHBondContact CB-OD1 3.39Å; F1705-N1707 PolarHBondContact O-N 2.99Å; F1705-D1708 PolarHBondContact O-N 3.28Å; F1705-D1708 VanDerWaalsContact O-N 3.12Å; F1705-M1709 HydrophobicContact CD2-CB 4.02Å; F1705-M1709 PolarHBondContact N-O 3.18Å; F1705-E1711 HydrophobicContact CE2-CB 4.09Å; F1705-E1711 HydrophobicContact CE2-CG 4.1Å; F1705-E1711 HydrophobicContact CZ-CB 3.83Å; F1705-E1711 HydrophobicContact CZ-CG 4.12Å; F1705-I1728 HydrophobicContact CE1-CG2 3.6Å; F1705-I1728 HydrophobicContact CZ-CG2 3.52Å; F1705-L1732 HydrophobicContact CE1-CD1 4.12Å; F1705-L1732 HydrophobicContact CE2-CD1 4.1Å; F1705-L1732 HydrophobicContact CE2-CD2 3.96Å; F1705-L1732 HydrophobicContact CE2-CG 4.49Å; F1705-L1732 HydrophobicContact CZ-CD1 3.79Å; F1705-L1732 HydrophobicContact CZ-CD2 4.27Å; F1705-L1732 HydrophobicContact CZ-CG 4.34Å; F1705-M1806 HydrophobicContact CD1-CB 4.08Å; F1705-M1806 HydrophobicContact CE1-CB 4.04Å; F1705-V1825 HydrophobicContact CB-CG1 3.89Å; F1705-V1825 HydrophobicContact CD2-CG1 4.16Å; F1705-V1825 HydrophobicContact CG-CG1 4.04Å; F1705-F1826 HydrophobicContact CB-CE1 4.29Å; F1705-F1826 AromaticContact CD1-CE1 3.7Å; F1705-F1826 HydrophobicContact CD1-CE1 3.7Å; F1705-F1826 AromaticContact CD1-CZ 3.81Å; F1705-F1826 HydrophobicContact CD1-CZ 3.81Å; F1705-F1826 HydrophobicContact CE1-CE1 4.44Å; F1705-F1826 HydrophobicContact CE1-CZ 4.21Å; F1705-F1826 HydrophobicContact CG-CE1 4.22Å; F1705-F1826 HydrophobicContact CG-CZ 4.29Å | ||
| 1706 | P | 86 | Confident | 86.8 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.032 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -10.9 | -177.6 | -23.4 | 35.3 | 0 | 0 | 0 | 115.2 | V1760 M1807 F1826 P1829 Q1830 | P1706-V1760 HydrophobicContact CB-CG1 4.48Å; P1706-V1760 WeakPolarHBondContact O-CG2 3.24Å; P1706-M1807 HydrophobicContact CG-CG 3.95Å; P1706-M1807 HydrophobicContact CG-SD 4.39Å; P1706-F1826 HydrophobicContact CG-CD1 4.02Å; P1706-P1829 HydrophobicContact CB-CB 3.92Å; P1706-P1829 HydrophobicContact CB-CG 3.89Å; P1706-P1829 WeakPolarHBondContact O-CB 3.29Å; P1706-Q1830 HydrophobicContact CB-CG 4.01Å; P1706-Q1830 HydrophobicContact CG-CG 3.84Å |
| 1707 | N | 82.9 | Confident | 86.7 | Confident | 52 Ų | 52 | 49 Ų | 49 | 28% | 0.278 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 25 | 174.2 | 67.3 | -12.5 | 0 | 0 | 0 | 113.2 | F1705 M1709 P1829 | F1705-N1707 WeakPolarHBondContact CB-OD1 3.39Å; F1705-N1707 PolarHBondContact O-N 2.99Å; N1707-M1709 PolarHBondContact O-N 2.77Å; N1707-M1709 WeakPolarHBondContact OD1-CB 3.42Å; N1707-M1709 PolarHBondContact OD1-N 2.86Å; N1707-P1829 HydrophobicContact CB-CG 4.24Å |
| 1708 | D | 80.3 | Confident | 86.9 | Confident | 81 Ų | 81 | 47 Ų | 47 | 43% | 0.433 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 59.7 | -0.5 | -177.2 | -62.1 | -39.9 | 0 | 0 | 0 | 116.7 | F1705 | F1705-D1708 PolarHBondContact O-N 3.28Å; F1705-D1708 VanDerWaalsContact O-N 3.12Å |
| 1709 | M | 86.2 | Confident | 87.1 | Confident | 119 Ų | 119 | 42.4 Ų | 42.4 | 59% | 0.586 | 21% | 0.207 | S | C | * | . | trans | -68.9 | 159.3 | 170 | -63.2 | -67.5 | -68.8 | 0 | 0 | 110.9 | Y1704 F1705 N1707 | Y1704-M1709 CarbonylContact C-O 3.59Å; Y1704-M1709 WeakPolarHBondContact CA-O 3.35Å; F1705-M1709 HydrophobicContact CD2-CB 4.02Å; F1705-M1709 PolarHBondContact N-O 3.18Å; N1707-M1709 PolarHBondContact O-N 2.77Å; N1707-M1709 WeakPolarHBondContact OD1-CB 3.42Å; N1707-M1709 PolarHBondContact OD1-N 2.86Å | ||
| 1710 | F | 88.5 | Confident | 87.2 | Confident | 89 Ų | 89 | 44 Ų | 44 | 39% | 0.39 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 149.8 | 171 | 67.1 | -91.5 | 0 | 0 | 0 | 111.6 | K1702 V1703 Y1704 | K1702-F1710 HydrophobicContact CB-CD2 4.49Å; K1702-F1710 HydrophobicContact CD-CD2 3.69Å; K1702-F1710 HydrophobicContact CD-CE2 3.79Å; K1702-F1710 HydrophobicContact CD-CG 4.3Å; K1702-F1710 HydrophobicContact CD-CZ 4.45Å; K1702-F1710 VanDerWaalsContact CE-CE2 3.46Å; K1702-F1710 HydrophobicContact CG-CD2 4.07Å; K1702-F1710 HydrophobicContact CG-CE2 4.45Å; V1703-F1710 CarbonylContact O-C 3.49Å; V1703-F1710 WeakPolarHBondContact O-CA 3.48Å; V1703-F1710 WeakPolarHBondContact O-CB 3.09Å; Y1704-F1710 HydrophobicContact CD1-CB 3.68Å; Y1704-F1710 HydrophobicContact CD1-CD1 4.44Å; Y1704-F1710 HydrophobicContact CD1-CG 4.41Å; Y1704-F1710 HydrophobicContact CE1-CB 3.96Å; Y1704-F1710 HydrophobicContact CE1-CD1 4.08Å; Y1704-F1710 HydrophobicContact CE1-CG 4.22Å; Y1704-F1710 HydrophobicContact CG-CB 4.03Å |
| 1711 | E | 84.9 | Confident | 87.3 | Confident | 54 Ų | 54 | 38.4 Ų | 38.4 | 25% | 0.252 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 158.6 | 164 | -99 | -68.6 | -169.6 | 0 | 0 | 111.3 | K1702 V1703 F1705 I1713 Q1731 | K1702-E1711 CarbonylContact C-O 3.56Å; K1702-E1711 VanDerWaalsContact CA-O 3.31Å; K1702-E1711 WeakPolarHBondContact CA-O 3.48Å; V1703-E1711 PolarHBondContact N-O 3.41Å; V1703-E1711 PolarHBondContact O-N 3.05Å; F1705-E1711 HydrophobicContact CE2-CB 4.09Å; F1705-E1711 HydrophobicContact CE2-CG 4.1Å; F1705-E1711 HydrophobicContact CZ-CB 3.83Å; F1705-E1711 HydrophobicContact CZ-CG 4.12Å; E1711-I1713 HydrophobicContact CB-CD1 4.18Å; E1711-I1713 HydrophobicContact CB-CG1 4.46Å; E1711-Q1731 PolarHBondContact OE1-NE2 2.86Å; E1711-Q1731 PolarHBondContact OE2-NE2 3.3Å |
| 1712 | S | 87.3 | Confident | 87.3 | Confident | 50 Ų | 50 | 41.4 Ų | 41.4 | 35% | 0.35 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 98.4 | 178.7 | -58.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1713 | I | 88.4 | Confident | 87.2 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140 | -167.1 | -80.1 | 167.1 | 0 | 0 | 0 | 111.3 | F1700 H1701 E1711 V1715 L1724 R1727 I1728 | F1700-I1713 WeakPolarHBondContact CA-O 3.11Å; H1701-I1713 PolarHBondContact N-O 2.99Å; H1701-I1713 PolarHBondContact O-N 3.24Å; E1711-I1713 HydrophobicContact CB-CD1 4.18Å; E1711-I1713 HydrophobicContact CB-CG1 4.46Å; I1713-V1715 PolarHBondContact O-N 3.23Å; I1713-L1724 HydrophobicContact CG2-CD2 3.91Å; I1713-R1727 HydrophobicContact CG2-CG 4.44Å; I1713-I1728 HydrophobicContact CD1-CB 4.26Å; I1713-I1728 HydrophobicContact CD1-CD1 3.39Å; I1713-I1728 HydrophobicContact CD1-CG1 4.28Å; I1713-I1728 HydrophobicContact CD1-CG2 4.33Å |
| 1714 | E | 87.9 | Confident | 87.3 | Confident | 62 Ų | 62 | 39.7 Ų | 39.7 | 29% | 0.29 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 122.1 | 171.1 | -174.6 | 177.1 | -147.3 | 0 | 0 | 110 | Q1698 V1699 F1700 R1727 | Q1698-E1714 WeakPolarHBondContact CB-OE1 3.45Å; Q1698-E1714 VanDerWaalsContact CG-OE1 3.24Å; Q1698-E1714 WeakPolarHBondContact CG-OE1 3.25Å; Q1698-E1714 PolarHBondContact NE2-OE1 3.47Å; V1699-E1714 CarbonylContact O-C 3.56Å; V1699-E1714 WeakPolarHBondContact O-CA 3.4Å; F1700-E1714 HydrophobicContact CD1-CB 4.19Å; F1700-E1714 HydrophobicContact CE1-CB 3.85Å; F1700-E1714 HydrophobicContact CZ-CB 4.24Å; E1714-R1727 PolarHBondContact O-NH1 3.33Å |
| 1715 | V | 89.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | trans | -117.1 | 106.3 | 179.4 | -170.3 | 0 | 0 | 0 | 0 | 109.7 | V1699 H1701 I1713 L1724 F1777 F1778 | V1699-V1715 PolarHBondContact O-N 3.48Å; H1701-V1715 HydrophobicContact CB-CG2 3.59Å; I1713-V1715 PolarHBondContact O-N 3.23Å; V1715-L1724 HydrophobicContact CB-CD2 4.44Å; V1715-L1724 HydrophobicContact CG1-CD1 4.06Å; V1715-L1724 HydrophobicContact CG1-CD2 4.23Å; V1715-L1724 HydrophobicContact CG2-CD1 4.39Å; V1715-L1724 HydrophobicContact CG2-CD2 3.86Å; V1715-F1777 HydrophobicContact CB-CE1 4.49Å; V1715-F1777 HydrophobicContact CG1-CB 4.24Å; V1715-F1777 HydrophobicContact CG1-CD1 3.55Å; V1715-F1777 HydrophobicContact CG1-CE1 3.97Å; V1715-F1777 HydrophobicContact CG1-CG 4.03Å; V1715-F1777 HydrophobicContact CG2-CE1 4.24Å; V1715-F1778 HydrophobicContact CB-CE2 4.26Å; V1715-F1778 HydrophobicContact CB-CZ 4.15Å; V1715-F1778 HydrophobicContact CG1-CD2 4.46Å; V1715-F1778 HydrophobicContact CG1-CE2 3.73Å; V1715-F1778 HydrophobicContact CG1-CZ 3.97Å | ||
| 1716 | E | 86.5 | Confident | 87.4 | Confident | 49 Ų | 49 | 43.4 Ų | 43.4 | 23% | 0.229 | 22% | 0.217 | C | C | . | . | trans | -74.6 | 153.1 | 175.2 | -51 | 175.7 | -132.6 | 0 | 0 | 111.5 | K1673 C1718 S1719 R1727 | K1673-E1716 WeakPolarHBondContact CD-OE2 3.47Å; K1673-E1716 VanDerWaalsContact CE-OE2 3.26Å; K1673-E1716 WeakPolarHBondContact CE-OE2 3.47Å; K1673-E1716 IonicContact NZ-OE1 3.25Å; K1673-E1716 PolarHBondContact NZ-OE1 2.95Å; K1673-E1716 IonicContact NZ-OE2 3.17Å; K1673-E1716 PolarHBondContact NZ-OE2 3.34Å; E1716-C1718 PolarHBondContact O-N 3.45Å; E1716-S1719 WeakPolarHBondContact CA-OG 3.39Å; E1716-S1719 WeakPolarHBondContact CB-OG 3.13Å; E1716-S1719 PolarHBondContact N-OG 3.07Å; E1716-S1719 WeakPolarHBondContact O-CB 3.4Å; E1716-S1719 PolarHBondContact O-N 2.89Å; E1716-S1719 PolarHBondContact O-OG 3.1Å; E1716-R1727 IonicContact OE1-NH2 2.8Å; E1716-R1727 PolarHBondContact OE1-NH2 3.11Å | ||
| 1717 | S | 83.9 | Confident | 87.6 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -22.6 | 176 | -62.4 | 0 | 0 | 0 | 0 | 115 | R1670 R1680 E1688 | R1670-S1717 PolarHBondContact NH1-OG 3.03Å; R1670-S1717 PolarHBondContact NH2-OG 3.03Å; R1670-S1717 VanDerWaalsContact NH2-OG 3.09Å; R1680-S1717 WeakPolarHBondContact CD-O 3.36Å; R1680-S1717 PolarHBondContact NH1-O 2.91Å; E1688-S1717 VanDerWaalsContact OE1-CA 3.32Å; E1688-S1717 WeakPolarHBondContact OE1-CA 3.39Å; E1688-S1717 WeakPolarHBondContact OE1-CB 3.48Å; E1688-S1717 PolarHBondContact OE1-OG 3.49Å |
| 1718 | C | 85 | Confident | 88.1 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 8% | 0.081 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 15.1 | 178.7 | 73.4 | 0 | 0 | 0 | 0 | 114.5 | T1677 E1716 F1776 | T1677-C1718 WeakPolarHBondContact OG1-CB 3.45Å; E1716-C1718 PolarHBondContact O-N 3.45Å; C1718-F1776 HydrophobicContact CB-CE1 4.31Å; C1718-F1776 WeakPolarHBondContact O-CD1 3.43Å; C1718-F1776 VanDerWaalsContact O-CE1 3.32Å; C1718-F1776 WeakPolarHBondContact O-CE1 3.44Å |
| 1719 | S | 88.4 | Confident | 88.6 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | trans | -73.2 | 129 | 176.6 | -44.7 | 0 | 0 | 0 | 0 | 111.5 | E1716 F1776 F1777 | E1716-S1719 WeakPolarHBondContact CA-OG 3.39Å; E1716-S1719 WeakPolarHBondContact CB-OG 3.13Å; E1716-S1719 PolarHBondContact N-OG 3.07Å; E1716-S1719 WeakPolarHBondContact O-CB 3.4Å; E1716-S1719 PolarHBondContact O-N 2.89Å; E1716-S1719 PolarHBondContact O-OG 3.1Å; S1719-F1776 WeakPolarHBondContact O-CA 3.42Å; S1719-F1777 PolarHBondContact O-N 3.08Å | ||
| 1720 | K | 88.8 | Confident | 88.7 | Confident | 43 Ų | 43 | 44.2 Ų | 44.2 | 19% | 0.187 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -87.9 | 162.3 | 167.8 | -63.6 | 178 | 169.4 | -128.3 | 0 | 111.4 | K1722 D1723 L1724 D1774 D1775 F1776 | K1720-K1722 VanDerWaalsContact C-N 3.31Å; K1720-K1722 HydrophobicContact CB-CG 4.5Å; K1720-K1722 PolarHBondContact O-N 2.92Å; K1720-D1723 WeakPolarHBondContact CB-OD2 3.48Å; K1720-D1723 PolarHBondContact N-OD2 3.35Å; K1720-D1723 WeakPolarHBondContact O-CB 3.46Å; K1720-D1723 PolarHBondContact O-N 3.2Å; K1720-L1724 PolarHBondContact O-N 3.47Å; K1720-D1774 WeakPolarHBondContact CE-O 3.46Å; K1720-D1774 PolarHBondContact NZ-O 2.76Å; K1720-D1774 IonicContact NZ-OD1 2.66Å; K1720-D1775 VanDerWaalsContact CA-O 3.28Å; K1720-D1775 WeakPolarHBondContact CA-O 3.22Å; K1720-F1776 HydrophobicContact CG-CD1 3.91Å; K1720-F1776 HydrophobicContact CG-CE1 4.01Å |
| 1721 | A | 88.7 | Confident | 88.7 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.1 | -40.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1723 L1724 V1725 L1742 V1771 S1772 D1775 | A1721-D1723 PolarHBondContact O-N 3.45Å; A1721-L1724 PolarHBondContact O-N 3.48Å; A1721-V1725 WeakPolarHBondContact O-CG2 3.47Å; A1721-V1725 PolarHBondContact O-N 3.43Å; A1721-L1742 HydrophobicContact CB-CD1 4.35Å; A1721-V1771 HydrophobicContact CB-CB 4.22Å; A1721-V1771 HydrophobicContact CB-CG1 3.5Å; A1721-V1771 VanDerWaalsContact CB-CG1 3.5Å; A1721-S1772 WeakPolarHBondContact CB-O 3.34Å; A1721-D1775 PolarHBondContact N-O 3.37Å; A1721-D1775 VanDerWaalsContact N-O 3.08Å |
| 1722 | K | 87.9 | Confident | 88.9 | Confident | 89 Ų | 89 | 43.6 Ų | 43.6 | 39% | 0.387 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66 | -35.2 | 177.1 | 72.8 | -168.8 | -171.7 | -173.9 | 0 | 113.6 | K1720 L1724 V1725 Q1726 S1773 D1774 | K1720-K1722 VanDerWaalsContact C-N 3.31Å; K1720-K1722 HydrophobicContact CB-CG 4.5Å; K1720-K1722 PolarHBondContact O-N 2.92Å; K1722-L1724 VanDerWaalsContact C-N 3.27Å; K1722-L1724 PolarHBondContact O-N 2.93Å; K1722-V1725 PolarHBondContact O-N 2.98Å; K1722-Q1726 PolarHBondContact O-N 3.4Å; K1722-S1773 WeakPolarHBondContact CB-O 3.34Å; K1722-S1773 WeakPolarHBondContact CG-O 3.35Å; K1722-S1773 PolarHBondContact N-O 3.03Å; K1722-D1774 WeakPolarHBondContact CE-OD1 3.4Å; K1722-D1774 IonicContact NZ-OD1 2.89Å; K1722-D1774 PolarHBondContact NZ-OD1 3.43Å; K1722-D1774 IonicContact NZ-OD2 2.66Å; K1722-D1774 PolarHBondContact NZ-OD2 2.87Å |
| 1723 | D | 89.1 | Confident | 89.1 | Confident | 53 Ų | 53 | 43.8 Ų | 43.8 | 28% | 0.283 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.6 | -39.7 | 177.1 | -46.9 | -22 | 0 | 0 | 0 | 110 | K1720 A1721 R1727 | K1720-D1723 WeakPolarHBondContact CB-OD2 3.48Å; K1720-D1723 PolarHBondContact N-OD2 3.35Å; K1720-D1723 WeakPolarHBondContact O-CB 3.46Å; K1720-D1723 PolarHBondContact O-N 3.2Å; A1721-D1723 PolarHBondContact O-N 3.45Å; D1723-R1727 VanDerWaalsContact O-CB 3.31Å; D1723-R1727 WeakPolarHBondContact O-CB 3.11Å; D1723-R1727 PolarHBondContact O-N 2.87Å |
| 1724 | L | 91.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.2 | -48.4 | 173.2 | -69.1 | 170.9 | 0 | 0 | 0 | 111.4 | I1713 V1715 K1720 A1721 K1722 Q1726 R1727 I1728 L1742 F1777 | I1713-L1724 HydrophobicContact CG2-CD2 3.91Å; V1715-L1724 HydrophobicContact CB-CD2 4.44Å; V1715-L1724 HydrophobicContact CG1-CD1 4.06Å; V1715-L1724 HydrophobicContact CG1-CD2 4.23Å; V1715-L1724 HydrophobicContact CG2-CD1 4.39Å; V1715-L1724 HydrophobicContact CG2-CD2 3.86Å; K1720-L1724 PolarHBondContact O-N 3.47Å; A1721-L1724 PolarHBondContact O-N 3.48Å; K1722-L1724 VanDerWaalsContact C-N 3.27Å; K1722-L1724 PolarHBondContact O-N 2.93Å; L1724-Q1726 VanDerWaalsContact C-N 3.3Å; L1724-Q1726 PolarHBondContact O-N 2.92Å; L1724-R1727 CarbonylContact O-C 3.09Å; L1724-R1727 WeakPolarHBondContact O-CA 3.34Å; L1724-R1727 WeakPolarHBondContact O-CB 3.23Å; L1724-R1727 PolarHBondContact O-N 3.49Å; L1724-I1728 WeakPolarHBondContact O-CD1 3.3Å; L1724-I1728 WeakPolarHBondContact O-CG1 3.36Å; L1724-I1728 PolarHBondContact O-N 2.86Å; L1724-L1742 HydrophobicContact CB-CD1 3.89Å; L1724-L1742 HydrophobicContact CD1-CD1 3.98Å; L1724-F1777 HydrophobicContact CD1-CB 3.74Å; L1724-F1777 HydrophobicContact CD1-CD1 4.4Å; L1724-F1777 HydrophobicContact CD1-CD2 3.28Å; L1724-F1777 HydrophobicContact CD1-CE2 3.84Å; L1724-F1777 HydrophobicContact CD1-CG 3.58Å |
| 1725 | V | 92.2 | Very high | 89.2 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 7% | 0.067 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.6 | -44 | 176.4 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | A1721 K1722 G1729 V1737 F1740 L1742 M1806 | A1721-V1725 WeakPolarHBondContact O-CG2 3.47Å; A1721-V1725 PolarHBondContact O-N 3.43Å; K1722-V1725 PolarHBondContact O-N 2.98Å; V1725-G1729 PolarHBondContact O-N 2.93Å; V1725-V1737 HydrophobicContact CG1-CB 4.02Å; V1725-V1737 HydrophobicContact CG1-CG1 4.44Å; V1725-F1740 HydrophobicContact CG1-CB 3.96Å; V1725-L1742 HydrophobicContact CG2-CD2 4.43Å; V1725-L1742 HydrophobicContact CG2-CG 3.9Å; V1725-M1806 HydrophobicContact CG1-CE 4.18Å; V1725-M1806 HydrophobicContact CG1-SD 4.42Å |
| 1726 | Q | 91.6 | Very high | 89.1 | Confident | 124 Ų | 124 | 53.1 Ų | 53.1 | 58% | 0.579 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.1 | -41.6 | 173.6 | -75.3 | -175.1 | -15.1 | 0 | 0 | 112.4 | K1722 L1724 G1729 K1730 V1737 | K1722-Q1726 PolarHBondContact O-N 3.4Å; L1724-Q1726 VanDerWaalsContact C-N 3.3Å; L1724-Q1726 PolarHBondContact O-N 2.92Å; Q1726-G1729 PolarHBondContact O-N 2.87Å; Q1726-K1730 WeakPolarHBondContact O-CB 3.4Å; Q1726-K1730 PolarHBondContact O-N 3.38Å; Q1726-V1737 HydrophobicContact CG-CG2 4.16Å |
| 1727 | R | 90.9 | Very high | 89.3 | Confident | 84 Ų | 84 | 52.4 Ų | 52.4 | 32% | 0.317 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 177 | -160 | 179 | -71 | -160.6 | -6.2 | 110.9 | I1713 E1714 E1716 D1723 L1724 Q1731 | I1713-R1727 HydrophobicContact CG2-CG 4.44Å; E1714-R1727 PolarHBondContact O-NH1 3.33Å; E1716-R1727 IonicContact OE1-NH2 2.8Å; E1716-R1727 PolarHBondContact OE1-NH2 3.11Å; D1723-R1727 VanDerWaalsContact O-CB 3.31Å; D1723-R1727 WeakPolarHBondContact O-CB 3.11Å; D1723-R1727 PolarHBondContact O-N 2.87Å; L1724-R1727 CarbonylContact O-C 3.09Å; L1724-R1727 WeakPolarHBondContact O-CA 3.34Å; L1724-R1727 WeakPolarHBondContact O-CB 3.23Å; L1724-R1727 PolarHBondContact O-N 3.49Å; R1727-Q1731 WeakPolarHBondContact O-CB 3.45Å; R1727-Q1731 PolarHBondContact O-N 3.18Å |
| 1728 | I | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.5 | -53.7 | 173.6 | -30.9 | -57 | 0 | 0 | 0 | 110.2 | V1703 F1705 I1713 L1724 K1730 Q1731 L1732 M1806 | V1703-I1728 HydrophobicContact CB-CD1 4.23Å; V1703-I1728 HydrophobicContact CG1-CD1 4.12Å; V1703-I1728 HydrophobicContact CG2-CD1 4.05Å; F1705-I1728 HydrophobicContact CE1-CG2 3.6Å; F1705-I1728 HydrophobicContact CZ-CG2 3.52Å; I1713-I1728 HydrophobicContact CD1-CB 4.26Å; I1713-I1728 HydrophobicContact CD1-CD1 3.39Å; I1713-I1728 HydrophobicContact CD1-CG1 4.28Å; I1713-I1728 HydrophobicContact CD1-CG2 4.33Å; L1724-I1728 WeakPolarHBondContact O-CD1 3.3Å; L1724-I1728 WeakPolarHBondContact O-CG1 3.36Å; L1724-I1728 PolarHBondContact O-N 2.86Å; I1728-K1730 VanDerWaalsContact C-N 3.29Å; I1728-K1730 PolarHBondContact O-N 2.94Å; I1728-Q1731 CarbonylContact O-C 3.56Å; I1728-Q1731 WeakPolarHBondContact O-CA 3.17Å; I1728-Q1731 WeakPolarHBondContact O-CB 3.34Å; I1728-Q1731 PolarHBondContact O-N 3.44Å; I1728-L1732 HydrophobicContact CG2-CD1 3.78Å; I1728-L1732 HydrophobicContact CG2-CG 4.14Å; I1728-L1732 PolarHBondContact O-N 2.97Å; I1728-M1806 HydrophobicContact CB-SD 3.57Å; I1728-M1806 VanDerWaalsContact CB-SD 3.57Å; I1728-M1806 HydrophobicContact CG1-SD 3.44Å; I1728-M1806 WeakPolarHBondContact CG1-SD 3.28Å; I1728-M1806 HydrophobicContact CG2-SD 3.79Å |
| 1729 | G | 91.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.8 | -37.7 | -171 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1725 Q1726 L1732 G1733 L1734 | V1725-G1729 PolarHBondContact O-N 2.93Å; Q1726-G1729 PolarHBondContact O-N 2.87Å; G1729-L1732 PolarHBondContact O-N 2.87Å; G1729-G1733 PolarHBondContact O-N 3.21Å; G1729-L1734 PolarHBondContact O-N 3.36Å |
| 1730 | K | 89.1 | Confident | 89.7 | Confident | 188 Ų | 188 | 56.6 Ų | 56.6 | 82% | 0.817 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -69.5 | -31.3 | 174.7 | -162.6 | 173.5 | -172.8 | 178.2 | 0 | 113 | Q1726 I1728 | Q1726-K1730 WeakPolarHBondContact O-CB 3.4Å; Q1726-K1730 PolarHBondContact O-N 3.38Å; I1728-K1730 VanDerWaalsContact C-N 3.29Å; I1728-K1730 PolarHBondContact O-N 2.94Å |
| 1731 | Q | 88.9 | Confident | 89.8 | Confident | 97 Ų | 97 | 55.1 Ų | 55.1 | 45% | 0.453 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -76.8 | -34.1 | 176.5 | -172.2 | 168.7 | -14.5 | 0 | 0 | 112.3 | E1711 R1727 I1728 | E1711-Q1731 PolarHBondContact OE1-NE2 2.86Å; E1711-Q1731 PolarHBondContact OE2-NE2 3.3Å; R1727-Q1731 WeakPolarHBondContact O-CB 3.45Å; R1727-Q1731 PolarHBondContact O-N 3.18Å; I1728-Q1731 CarbonylContact O-C 3.56Å; I1728-Q1731 WeakPolarHBondContact O-CA 3.17Å; I1728-Q1731 WeakPolarHBondContact O-CB 3.34Å; I1728-Q1731 PolarHBondContact O-N 3.44Å |
| 1732 | L | 89.5 | Confident | 89.9 | Confident | 34 Ų | 34 | 55 Ų | 55 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -80 | -13 | 173 | -70.5 | 177.9 | 0 | 0 | 0 | 114.2 | F1705 I1728 G1729 L1734 F1826 | F1705-L1732 HydrophobicContact CE1-CD1 4.12Å; F1705-L1732 HydrophobicContact CE2-CD1 4.1Å; F1705-L1732 HydrophobicContact CE2-CD2 3.96Å; F1705-L1732 HydrophobicContact CE2-CG 4.49Å; F1705-L1732 HydrophobicContact CZ-CD1 3.79Å; F1705-L1732 HydrophobicContact CZ-CD2 4.27Å; F1705-L1732 HydrophobicContact CZ-CG 4.34Å; I1728-L1732 HydrophobicContact CG2-CD1 3.78Å; I1728-L1732 HydrophobicContact CG2-CG 4.14Å; I1728-L1732 PolarHBondContact O-N 2.97Å; G1729-L1732 PolarHBondContact O-N 2.87Å; L1732-L1734 HydrophobicContact CB-CD2 4.36Å; L1732-L1734 HydrophobicContact CB-CG 4.1Å; L1732-F1826 HydrophobicContact CD1-CE2 3.77Å; L1732-F1826 HydrophobicContact CD1-CZ 3.64Å |
| 1733 | G | 89.6 | Confident | 89.8 | Confident | 53 Ų | 53 | 52 Ų | 52 | 55% | 0.546 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 26.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G1729 | G1729-G1733 PolarHBondContact O-N 3.21Š|
| 1734 | L | 91.3 | Very high | 89.7 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | trans | -65.2 | 141.3 | 174.4 | -55.8 | -176.2 | 0 | 0 | 0 | 110.6 | G1729 L1732 V1737 F1740 M1806 Q1821 A1822 F1826 | G1729-L1734 PolarHBondContact O-N 3.36Å; L1732-L1734 HydrophobicContact CB-CD2 4.36Å; L1732-L1734 HydrophobicContact CB-CG 4.1Å; L1734-V1737 HydrophobicContact CD1-CG1 4.47Å; L1734-F1740 HydrophobicContact CD1-CE2 4.48Å; L1734-F1740 HydrophobicContact CD1-CZ 4.35Å; L1734-M1806 HydrophobicContact CD1-CE 3.85Å; L1734-Q1821 HydrophobicContact CD2-CB 4.27Å; L1734-Q1821 HydrophobicContact CD2-CG 4.48Å; L1734-A1822 HydrophobicContact CD2-CB 4.1Å; L1734-F1826 HydrophobicContact CD1-CE2 3.93Å; L1734-F1826 HydrophobicContact CD2-CE2 4.19Å | ||
| 1735 | K | 88.2 | Confident | 89.1 | Confident | 164 Ų | 164 | 50 Ų | 50 | 71% | 0.713 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -73.5 | -32.9 | 176.9 | -67.7 | -175.3 | 177.7 | 178.1 | 0 | 112.5 | K1818 D1819 | K1735-K1818 WeakPolarHBondContact CD-O 3.16Å; K1735-K1818 WeakPolarHBondContact CE-O 3.44Å; K1735-K1818 PolarHBondContact NZ-O 3.32Å; K1735-D1819 HydrophobicContact CB-CB 4.44Å; K1735-D1819 WeakPolarHBondContact CB-OD2 3.31Å; K1735-D1819 HydrophobicContact CD-CB 4.29Å; K1735-D1819 HydrophobicContact CG-CB 4.42Å; K1735-D1819 PolarHBondContact N-OD2 3.49Å |
| 1736 | D | 86.8 | Confident | 88.3 | Confident | 79 Ų | 79 | 50.2 Ų | 50.2 | 42% | 0.422 | 25% | 0.252 | S | S | . | . | trans | -148.5 | 146.2 | 177.3 | -171 | 10 | 0 | 0 | 0 | 110.8 | K1738 | D1736-K1738 WeakPolarHBondContact OD1-CB 3.45Å; D1736-K1738 PolarHBondContact OD1-N 3.06Å; D1736-K1738 VanDerWaalsContact OD2-CB 3.23Å; D1736-K1738 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 1737 | V | 90 | Very high | 87.1 | Confident | 34 Ų | 34 | 46.7 Ų | 46.7 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | trans | -110.2 | 0.9 | 175.7 | -64.2 | 0 | 0 | 0 | 0 | 113 | V1725 Q1726 L1734 G1739 F1740 | V1725-V1737 HydrophobicContact CG1-CB 4.02Å; V1725-V1737 HydrophobicContact CG1-CG1 4.44Å; Q1726-V1737 HydrophobicContact CG-CG2 4.16Å; L1734-V1737 HydrophobicContact CD1-CG1 4.47Å; V1737-G1739 PolarHBondContact O-N 2.92Å; V1737-F1740 WeakPolarHBondContact O-CB 3.33Å; V1737-F1740 PolarHBondContact O-N 3.06Å; V1737-F1740 VanDerWaalsContact O-N 3.07Å | ||
| 1738 | K | 86.5 | Confident | 85.3 | Confident | 76 Ų | 76 | 48.4 Ų | 48.4 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 127.4 | 174.2 | -150.8 | -179.1 | -167.1 | -170.7 | 0 | 110.2 | D1736 R1808 H2012 D2016 | D1736-K1738 WeakPolarHBondContact OD1-CB 3.45Å; D1736-K1738 PolarHBondContact OD1-N 3.06Å; D1736-K1738 VanDerWaalsContact OD2-CB 3.23Å; D1736-K1738 WeakPolarHBondContact OD2-CB 3.39Å; K1738-R1808 PolarHBondContact O-NH1 2.84Å; K1738-R1808 PolarHBondContact O-NH2 3.44Å; K1738-H2012 VanDerWaalsContact CE-CE1 3.49Å; K1738-H2012 WeakPolarHBondContact CE-CE1 3.26Å; K1738-D2016 WeakPolarHBondContact CE-OD1 3.49Å; K1738-D2016 IonicContact NZ-OD1 2.98Å; K1738-D2016 PolarHBondContact NZ-OD1 3.12Å; K1738-D2016 IonicContact NZ-OD2 2.74Å; K1738-D2016 PolarHBondContact NZ-OD2 3.06Å |
| 1739 | G | 88.4 | Confident | 83.1 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | -2.5 | -177 | 0 | 0 | 0 | 0 | 0 | 116.6 | V1737 K1809 L1810 | V1737-G1739 PolarHBondContact O-N 2.92Å; G1739-K1809 PolarHBondContact O-N 3.27Å; G1739-L1810 PolarHBondContact O-N 3Å |
| 1740 | F | 91.4 | Very high | 80.6 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 8% | 0.083 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 147.1 | 170.6 | -71.7 | -93.5 | 0 | 0 | 0 | 112.3 | V1725 L1734 V1737 M1806 M1807 R1808 A1822 F1826 | V1725-F1740 HydrophobicContact CG1-CB 3.96Å; L1734-F1740 HydrophobicContact CD1-CE2 4.48Å; L1734-F1740 HydrophobicContact CD1-CZ 4.35Å; V1737-F1740 WeakPolarHBondContact O-CB 3.33Å; V1737-F1740 PolarHBondContact O-N 3.06Å; V1737-F1740 VanDerWaalsContact O-N 3.07Å; F1740-M1806 HydrophobicContact CB-CE 3.85Å; F1740-M1806 HydrophobicContact CD1-CE 3.61Å; F1740-M1806 HydrophobicContact CD1-CG 4.41Å; F1740-M1806 HydrophobicContact CE1-CE 4.3Å; F1740-M1806 HydrophobicContact CG-CE 3.78Å; F1740-M1807 WeakPolarHBondContact CA-O 3.4Å; F1740-R1808 HydrophobicContact CD1-CB 4.05Å; F1740-R1808 HydrophobicContact CE1-CB 3.83Å; F1740-R1808 HydrophobicContact CZ-CB 4.22Å; F1740-A1822 HydrophobicContact CZ-CB 4.31Å; F1740-F1826 HydrophobicContact CD1-CD1 4.43Å; F1740-F1826 HydrophobicContact CD1-CG 4.47Å; F1740-F1826 HydrophobicContact CE1-CB 3.87Å; F1740-F1826 AromaticContact CE1-CD1 3.92Å; F1740-F1826 HydrophobicContact CE1-CD1 3.92Å; F1740-F1826 AromaticContact CE1-CD2 3.68Å; F1740-F1826 HydrophobicContact CE1-CD2 3.68Å; F1740-F1826 HydrophobicContact CE1-CE1 4.36Å; F1740-F1826 HydrophobicContact CE1-CE2 4.14Å; F1740-F1826 AromaticContact CE1-CG 3.55Å; F1740-F1826 HydrophobicContact CE1-CG 3.55Å; F1740-F1826 HydrophobicContact CE1-CZ 4.46Å; F1740-F1826 HydrophobicContact CZ-CB 4.44Å; F1740-F1826 HydrophobicContact CZ-CD2 4.14Å; F1740-F1826 HydrophobicContact CZ-CG 4.32Å |
| 1741 | A | 90.8 | Very high | 78 | Confident | 13 Ų | 13 | 62 Ų | 62 | 11% | 0.107 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 159.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1743 M1806 M1807 K1809 | A1741-F1743 HydrophobicContact CB-CD2 4.4Å; A1741-F1743 HydrophobicContact CB-CE2 3.81Å; A1741-F1743 HydrophobicContact CB-CZ 4.32Å; A1741-F1743 WeakPolarHBondContact O-CD2 3.39Å; A1741-M1806 WeakPolarHBondContact O-CA 3.46Å; A1741-M1807 PolarHBondContact N-O 3.02Å; A1741-M1807 PolarHBondContact O-N 3.13Å; A1741-K1809 HydrophobicContact CB-CB 4.02Å; A1741-K1809 HydrophobicContact CB-CD 4.08Å |
| 1742 | L | 90.3 | Very high | 75.2 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 152 | 164.2 | -67.7 | 177.5 | 0 | 0 | 0 | 110.2 | V1703 A1721 L1724 V1725 V1771 F1777 I1804 Y1805 M1806 | V1703-L1742 HydrophobicContact CG1-CD2 3.94Å; A1721-L1742 HydrophobicContact CB-CD1 4.35Å; L1724-L1742 HydrophobicContact CB-CD1 3.89Å; L1724-L1742 HydrophobicContact CD1-CD1 3.98Å; V1725-L1742 HydrophobicContact CG2-CD2 4.43Å; V1725-L1742 HydrophobicContact CG2-CG 3.9Å; L1742-V1771 HydrophobicContact CB-CB 3.93Å; L1742-V1771 HydrophobicContact CB-CG2 3.68Å; L1742-V1771 WeakPolarHBondContact O-CB 3.35Å; L1742-V1771 WeakPolarHBondContact O-CG2 3.38Å; L1742-V1771 PolarHBondContact O-N 3.34Å; L1742-F1777 HydrophobicContact CD1-CD2 4.15Å; L1742-F1777 HydrophobicContact CD1-CE2 4.31Å; L1742-I1804 HydrophobicContact CB-CG2 4.46Å; L1742-I1804 HydrophobicContact CD2-CG2 3.95Å; L1742-Y1805 CarbonylContact C-O 3.59Å; L1742-Y1805 WeakPolarHBondContact CA-O 3.46Å; L1742-M1806 HydrophobicContact CD2-CB 3.95Å |
| 1743 | F | 87.2 | Confident | 72.4 | Confident | 25 Ų | 25 | 72.8 Ų | 72.8 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 146.6 | -177 | -73.5 | -91 | 0 | 0 | 0 | 109.6 | A1741 V1768 F1769 I1804 Y1805 M1807 K1809 | A1741-F1743 HydrophobicContact CB-CD2 4.4Å; A1741-F1743 HydrophobicContact CB-CE2 3.81Å; A1741-F1743 HydrophobicContact CB-CZ 4.32Å; A1741-F1743 WeakPolarHBondContact O-CD2 3.39Å; F1743-V1768 HydrophobicContact CB-CG1 3.64Å; F1743-V1768 HydrophobicContact CD1-CG1 4.18Å; F1743-V1768 HydrophobicContact CG-CG1 4.35Å; F1743-F1769 CarbonylContact C-O 3.59Å; F1743-F1769 VanDerWaalsContact CA-O 3.24Å; F1743-F1769 WeakPolarHBondContact CA-O 3.42Å; F1743-I1804 CarbonylContact O-C 3.57Å; F1743-I1804 WeakPolarHBondContact O-CA 3.2Å; F1743-Y1805 PolarHBondContact N-O 3.21Å; F1743-Y1805 PolarHBondContact O-N 2.83Å; F1743-M1807 HydrophobicContact CB-CE 3.85Å; F1743-M1807 HydrophobicContact CD1-CE 3.84Å; F1743-M1807 HydrophobicContact CD2-CB 3.87Å; F1743-M1807 HydrophobicContact CD2-CE 3.56Å; F1743-M1807 HydrophobicContact CD2-CG 4.12Å; F1743-M1807 HydrophobicContact CE1-CE 4.23Å; F1743-M1807 HydrophobicContact CE2-CB 3.79Å; F1743-M1807 HydrophobicContact CE2-CE 3.98Å; F1743-M1807 HydrophobicContact CE2-CG 4.5Å; F1743-M1807 HydrophobicContact CG-CE 3.47Å; F1743-M1807 VanDerWaalsContact CG-CE 3.47Å; F1743-M1807 HydrophobicContact CZ-CE 4.29Å; F1743-K1809 HydrophobicContact CE2-CB 4.22Å; F1743-K1809 HydrophobicContact CZ-CB 3.89Å; F1743-K1809 HydrophobicContact CZ-CD 4.17Å; F1743-K1809 HydrophobicContact CZ-CG 3.96Å |
| 1744 | I | 85.6 | Confident | 69.6 | Low | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119.2 | 177.4 | -164.6 | 172.8 | 0 | 0 | 0 | 111.3 | V1768 F1769 F1780 I1781 V1784 F1800 Y1802 Q1803 I1804 | I1744-V1768 VanDerWaalsContact O-CA 3.31Å; I1744-V1768 WeakPolarHBondContact O-CA 3.35Å; I1744-V1768 WeakPolarHBondContact O-CG1 3.46Å; I1744-F1769 HydrophobicContact CG2-CB 4.06Å; I1744-F1769 HydrophobicContact CG2-CD2 4.18Å; I1744-F1769 PolarHBondContact N-O 3.22Å; I1744-F1769 PolarHBondContact O-N 2.99Å; I1744-F1769 VanDerWaalsContact O-N 3.13Å; I1744-F1780 HydrophobicContact CG2-CD1 4.48Å; I1744-F1780 HydrophobicContact CG2-CE1 3.72Å; I1744-I1781 HydrophobicContact CD1-CB 4.37Å; I1744-I1781 HydrophobicContact CD1-CG1 3.95Å; I1744-I1781 HydrophobicContact CD1-CG2 4.4Å; I1744-V1784 HydrophobicContact CG2-CB 4.33Å; I1744-V1784 HydrophobicContact CG2-CG1 4.06Å; I1744-V1784 HydrophobicContact CG2-CG2 3.99Å; I1744-F1800 HydrophobicContact CD1-CE1 4.4Å; I1744-F1800 HydrophobicContact CD1-CZ 4.43Å; I1744-Y1802 HydrophobicContact CD1-CD2 3.64Å; I1744-Y1802 HydrophobicContact CD1-CE2 4.41Å; I1744-Y1802 HydrophobicContact CD1-CG 3.96Å; I1744-Y1802 HydrophobicContact CG1-CD2 3.94Å; I1744-Y1802 HydrophobicContact CG1-CG 4.29Å; I1744-Q1803 WeakPolarHBondContact CA-O 3.47Å; I1744-I1804 HydrophobicContact CB-CD1 4Å; I1744-I1804 HydrophobicContact CD1-CD1 4.01Å; I1744-I1804 HydrophobicContact CG1-CD1 3.82Å |
| 1745 | K | 79.6 | Confident | 67.1 | Low | 11 Ų | 11 | 77.1 Ų | 77.1 | 5% | 0.048 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 124.8 | 173.1 | -176.8 | -169.4 | -171.9 | 178.6 | 0 | 107.9 | D1759 I1763 V1768 Y1802 Q1803 Y1805 | K1745-D1759 VanDerWaalsContact NZ-CG 3.25Å; K1745-D1759 IonicContact NZ-OD1 3.56Å; K1745-D1759 PolarHBondContact NZ-OD1 2.86Å; K1745-D1759 IonicContact NZ-OD2 2.73Å; K1745-D1759 PolarHBondContact NZ-OD2 2.73Å; K1745-I1763 HydrophobicContact CD-CD1 4.26Å; K1745-I1763 HydrophobicContact CD-CG1 3.84Å; K1745-V1768 HydrophobicContact CB-CG2 4.09Å; K1745-V1768 HydrophobicContact CG-CG2 4.23Å; K1745-Y1802 CarbonylContact O-C 3.6Å; K1745-Y1802 VanDerWaalsContact O-CA 3.23Å; K1745-Y1802 WeakPolarHBondContact O-CA 3.29Å; K1745-Q1803 HydrophobicContact CB-CB 4.39Å; K1745-Q1803 PolarHBondContact N-O 3.13Å; K1745-Q1803 PolarHBondContact O-N 2.75Å; K1745-Y1805 HydrophobicContact CB-CD2 4.11Å; K1745-Y1805 HydrophobicContact CB-CE2 3.94Å; K1745-Y1805 HydrophobicContact CD-CE2 3.73Å |
| 1746 | V | 75.5 | Confident | 64.8 | Low | 16 Ų | 16 | 73.7 Ų | 73.7 | 10% | 0.097 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 127.8 | 176.6 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | E1748 A1767 F1769 V1784 F1800 | V1746-E1748 PolarHBondContact O-N 3.21Å; V1746-A1767 PolarHBondContact N-O 2.89Å; V1746-F1769 HydrophobicContact CG2-CE2 4.43Å; V1746-V1784 HydrophobicContact CG2-CG1 3.89Å; V1746-F1800 HydrophobicContact CB-CE2 4.45Å; V1746-F1800 HydrophobicContact CG1-CD2 4.29Å; V1746-F1800 HydrophobicContact CG1-CE2 3.73Å; V1746-F1800 HydrophobicContact CG1-CZ 4.49Å; V1746-F1800 HydrophobicContact CG2-CE2 3.85Å; V1746-F1800 HydrophobicContact CG2-CZ 3.92Å |
| 1747 | N | 65.8 | Low | 62.6 | Low | 50 Ų | 50 | 73.1 Ų | 73.1 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | trans | -83.7 | 108.5 | -175.3 | -75.5 | -8.3 | 0 | 0 | 0 | 111.5 | E1801 | N1747-E1801 HydrophobicContact CB-CB 4.07Å; N1747-E1801 PolarHBondContact N-O 3.19Å | ||
| 1748 | E | 54.6 | Low | 60.2 | Low | 121 Ų | 121 | 74.4 Ų | 74.4 | 57% | 0.565 | 37% | 0.372 | S | S | * | . | trans | -93.5 | 111.5 | 171.8 | -58 | -133.2 | 114.5 | 0 | 0 | 110.4 | V1746 S1750 R1792 | V1746-E1748 PolarHBondContact O-N 3.21Å; E1748-S1750 PolarHBondContact O-N 3.32Å; E1748-R1792 IonicContact OE1-CZ 3.83Å; E1748-R1792 IonicContact OE1-NE 2.81Å; E1748-R1792 IonicContact OE1-NH2 3Å; E1748-R1792 PolarHBondContact OE1-NH2 3Å | ||
| 1749 | K | 45.9 | Very low | 57.9 | Low | 163 Ų | 163 | 74 Ų | 74 | 71% | 0.709 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 35.6 | -171.2 | -71.2 | -174.1 | 171.3 | 174.8 | 0 | 114.9 | E1801 | K1749-E1801 WeakPolarHBondContact CE-OE2 3.47Å; K1749-E1801 IonicContact NZ-OE1 3.01Å; K1749-E1801 PolarHBondContact NZ-OE1 3.35Å; K1749-E1801 IonicContact NZ-OE2 3.17Å; K1749-E1801 PolarHBondContact NZ-OE2 2.91Å |
| 1750 | S | 37.8 | Very low | 55.8 | Low | 96 Ų | 96 | 73.9 Ų | 73.9 | 67% | 0.671 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.9 | -9.7 | -171.9 | 56.8 | 0 | 0 | 0 | 0 | 115.2 | E1748 | E1748-S1750 PolarHBondContact O-N 3.32Š|
| 1751 | R | 34.3 | Very low | 53.5 | Low | 215 Ų | 215 | 73.9 Ų | 73.9 | 81% | 0.811 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -109.5 | 137.5 | 173.8 | -70.7 | -174.4 | 172.5 | -176.5 | -2.3 | 111.3 | ||
| 1752 | R | 29.9 | Very low | 51.1 | Low | 229 Ų | 229 | 76 Ų | 76 | 86% | 0.864 | 38% | 0.379 | S | S | * | . | trans | -63.2 | 147.4 | 176.3 | -69.9 | -179.3 | 176.4 | 175.6 | -1.3 | 110.1 | L1754 | R1752-L1754 PolarHBondContact O-N 2.79Š| ||
| 1753 | P | 31.8 | Very low | 49 | Very low | 129 Ų | 129 | 76.2 Ų | 76.2 | 84% | 0.838 | 38% | 0.38 | S | S | * | . | trans | -62.9 | 121.1 | 170.1 | 27.4 | -33.4 | 0 | 0 | 0 | 109.7 | ||||
| 1754 | L | 31.2 | Very low | 47.1 | Very low | 125 Ų | 125 | 77.3 Ų | 77.3 | 65% | 0.654 | 39% | 0.387 | S | S | * | . | trans | -91.5 | 176.6 | 166.3 | -72.7 | 161.9 | 0 | 0 | 0 | 108.9 | R1752 H1758 | R1752-L1754 PolarHBondContact O-N 2.79Å; L1754-H1758 HydrophobicContact CB-CB 3.84Å | ||
| 1755 | S | 37.4 | Very low | 45 | Very low | 38 Ų | 38 | 78.2 Ų | 78.2 | 27% | 0.266 | 39% | 0.394 | S | S | . | . | trans | -57.3 | 153.3 | -175.8 | 60.7 | 0 | 0 | 0 | 0 | 112 | I1757 H1758 E1874 | S1755-I1757 PolarHBondContact O-N 2.74Å; S1755-H1758 WeakPolarHBondContact O-CA 3.29Å; S1755-H1758 WeakPolarHBondContact O-CB 3.35Å; S1755-H1758 PolarHBondContact O-N 3.13Å; S1755-H1758 PolarHBondContact OG-ND1 3.47Å; S1755-E1874 PolarHBondContact OG-OE1 2.87Å | ||
| 1756 | P | 39.3 | Very low | 43.4 | Very low | 92 Ų | 92 | 83.2 Ų | 83.2 | 60% | 0.597 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -51.8 | -37.3 | -174.4 | -29.8 | 36.2 | 0 | 0 | 0 | 114.2 | H1758 D1759 | P1756-H1758 PolarHBondContact O-N 3.07Å; P1756-H1758 VanDerWaalsContact O-N 3.13Å; P1756-D1759 PolarHBondContact O-N 3.41Å |
| 1757 | I | 42.2 | Very low | 42.4 | Very low | 66 Ų | 66 | 84.2 Ų | 84.2 | 34% | 0.338 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.5 | -29.7 | 176.1 | -56.9 | 173.4 | 0 | 0 | 0 | 112 | S1755 I1761 L1836 E1874 | S1755-I1757 PolarHBondContact O-N 2.74Å; I1757-I1761 HydrophobicContact CG2-CD1 4.49Å; I1757-I1761 WeakPolarHBondContact O-CD1 3.35Å; I1757-I1761 WeakPolarHBondContact O-CG1 3.37Å; I1757-L1836 HydrophobicContact CG2-CD1 4.29Å; I1757-E1874 HydrophobicContact CD1-CB 4.47Å |
| 1758 | H | 38.6 | Very low | 42.4 | Very low | 62 Ų | 62 | 82.2 Ų | 82.2 | 29% | 0.287 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -77.5 | -21.5 | 177.1 | -80.5 | 72 | 0 | 0 | 0 | 114.7 | L1754 S1755 P1756 I1761 I1762 | L1754-H1758 HydrophobicContact CB-CB 3.84Å; S1755-H1758 WeakPolarHBondContact O-CA 3.29Å; S1755-H1758 WeakPolarHBondContact O-CB 3.35Å; S1755-H1758 PolarHBondContact O-N 3.13Å; S1755-H1758 PolarHBondContact OG-ND1 3.47Å; P1756-H1758 PolarHBondContact O-N 3.07Å; P1756-H1758 VanDerWaalsContact O-N 3.13Å; H1758-I1761 WeakPolarHBondContact O-CB 3.39Å; H1758-I1761 PolarHBondContact O-N 3.07Å; H1758-I1762 WeakPolarHBondContact O-CG1 3.18Å; H1758-I1762 PolarHBondContact O-N 3.46Å |
| 1759 | D | 39 | Very low | 43.3 | Very low | 68 Ų | 68 | 79.5 Ų | 79.5 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -74.6 | -35.4 | -175.8 | -139.6 | -11.1 | 0 | 0 | 0 | 111.1 | K1745 P1756 I1762 I1763 | K1745-D1759 VanDerWaalsContact NZ-CG 3.25Å; K1745-D1759 IonicContact NZ-OD1 3.56Å; K1745-D1759 PolarHBondContact NZ-OD1 2.86Å; K1745-D1759 IonicContact NZ-OD2 2.73Å; K1745-D1759 PolarHBondContact NZ-OD2 2.73Å; P1756-D1759 PolarHBondContact O-N 3.41Å; D1759-I1762 PolarHBondContact O-N 3.46Å; D1759-I1763 WeakPolarHBondContact O-CD1 3.45Å; D1759-I1763 VanDerWaalsContact O-CG1 3.3Å; D1759-I1763 WeakPolarHBondContact O-CG1 3.33Å; D1759-I1763 PolarHBondContact O-N 3.31Å |
| 1760 | V | 43.6 | Very low | 45 | Very low | 12 Ų | 12 | 72.7 Ų | 72.7 | 7% | 0.073 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 168.1 | -169.9 | 0 | 0 | 0 | 0 | 111.6 | P1706 I1762 I1763 I1764 P1833 | P1706-V1760 HydrophobicContact CB-CG1 4.48Å; P1706-V1760 WeakPolarHBondContact O-CG2 3.24Å; V1760-I1762 VanDerWaalsContact C-N 3.28Å; V1760-I1762 PolarHBondContact O-N 2.96Å; V1760-I1763 PolarHBondContact O-N 2.96Å; V1760-I1764 HydrophobicContact CG1-CD1 4.12Å; V1760-I1764 PolarHBondContact O-N 3.48Å; V1760-I1764 VanDerWaalsContact O-N 3.07Å; V1760-P1833 HydrophobicContact CG1-CG 4.01Å |
| 1761 | I | 42.7 | Very low | 47.1 | Very low | 20 Ų | 20 | 68.4 Ų | 68.4 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61 | -36 | 174.2 | -71.5 | 167.7 | 0 | 0 | 0 | 111.6 | I1757 H1758 A1765 P1833 | I1757-I1761 HydrophobicContact CG2-CD1 4.49Å; I1757-I1761 WeakPolarHBondContact O-CD1 3.35Å; I1757-I1761 WeakPolarHBondContact O-CG1 3.37Å; H1758-I1761 WeakPolarHBondContact O-CB 3.39Å; H1758-I1761 PolarHBondContact O-N 3.07Å; I1761-A1765 WeakPolarHBondContact O-CB 3.46Å; I1761-A1765 PolarHBondContact O-N 3.39Å; I1761-P1833 HydrophobicContact CG1-CB 3.77Å; I1761-P1833 HydrophobicContact CG1-CG 4.42Å |
| 1762 | I | 42 | Very low | 49.4 | Very low | 58 Ų | 58 | 60.7 Ų | 60.7 | 30% | 0.297 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -72.1 | -39.2 | 175.9 | -69.7 | 166.6 | 0 | 0 | 0 | 111.1 | H1758 D1759 V1760 A1765 F1766 A1767 | H1758-I1762 WeakPolarHBondContact O-CG1 3.18Å; H1758-I1762 PolarHBondContact O-N 3.46Å; D1759-I1762 PolarHBondContact O-N 3.46Å; V1760-I1762 VanDerWaalsContact C-N 3.28Å; V1760-I1762 PolarHBondContact O-N 2.96Å; I1762-A1765 PolarHBondContact O-N 2.69Å; I1762-F1766 PolarHBondContact O-N 3.04Å; I1762-A1767 HydrophobicContact CG2-CB 4.34Å |
| 1763 | I | 46.2 | Very low | 51.9 | Low | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 179.5 | -73.8 | 160 | 0 | 0 | 0 | 111.7 | K1745 D1759 V1760 V1768 Y1805 M1807 | K1745-I1763 HydrophobicContact CD-CD1 4.26Å; K1745-I1763 HydrophobicContact CD-CG1 3.84Å; D1759-I1763 WeakPolarHBondContact O-CD1 3.45Å; D1759-I1763 VanDerWaalsContact O-CG1 3.3Å; D1759-I1763 WeakPolarHBondContact O-CG1 3.33Å; D1759-I1763 PolarHBondContact O-N 3.31Å; V1760-I1763 PolarHBondContact O-N 2.96Å; I1763-V1768 HydrophobicContact CB-CG2 4.3Å; I1763-V1768 HydrophobicContact CG1-CG2 4.46Å; I1763-V1768 HydrophobicContact CG2-CG2 4.23Å; I1763-V1768 WeakPolarHBondContact O-CG2 3.48Å; I1763-Y1805 HydrophobicContact CD1-CD1 4.06Å; I1763-Y1805 HydrophobicContact CD1-CD2 4.46Å; I1763-Y1805 HydrophobicContact CD1-CE1 3.47Å; I1763-Y1805 VanDerWaalsContact CD1-CE1 3.47Å; I1763-Y1805 HydrophobicContact CD1-CE2 3.93Å; I1763-Y1805 VanDerWaalsContact CD1-CZ 3.42Å; I1763-Y1805 HydrophobicContact CG1-CE2 4.43Å; I1763-M1807 HydrophobicContact CG2-CE 3.68Å; I1763-M1807 HydrophobicContact CG2-SD 3.51Å; I1763-M1807 VanDerWaalsContact CG2-SD 3.51Å |
| 1764 | I | 46.1 | Very low | 54.3 | Low | 47 Ų | 47 | 49.9 Ų | 49.9 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.2 | -35.4 | -178.3 | -63.4 | 170.5 | 0 | 0 | 0 | 111.2 | V1760 Q1830 P1833 | V1760-I1764 HydrophobicContact CG1-CD1 4.12Å; V1760-I1764 PolarHBondContact O-N 3.48Å; V1760-I1764 VanDerWaalsContact O-N 3.07Å; I1764-Q1830 HydrophobicContact CD1-CB 4.48Å; I1764-P1833 HydrophobicContact CD1-CB 4.11Å; I1764-P1833 HydrophobicContact CD1-CG 4.11Å |
| 1765 | A | 42.7 | Very low | 56.8 | Low | 20 Ų | 20 | 45.6 Ų | 45.6 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -94.5 | -53.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I1761 I1762 K2001 | I1761-A1765 WeakPolarHBondContact O-CB 3.46Å; I1761-A1765 PolarHBondContact O-N 3.39Å; I1762-A1765 PolarHBondContact O-N 2.69Å; A1765-K2001 PolarHBondContact O-NZ 3.04Å |
| 1766 | F | 45.1 | Very low | 59.3 | Low | 115 Ų | 115 | 44.4 Ų | 44.4 | 50% | 0.504 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -27 | -149.3 | -74.6 | -61.2 | 0 | 0 | 0 | 118.5 | I1762 | I1762-F1766 PolarHBondContact O-N 3.04Š|
| 1767 | A | 53.9 | Low | 61.7 | Low | 37 Ų | 37 | 40.1 Ų | 40.1 | 31% | 0.306 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -133.1 | 30.7 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | V1746 I1762 | V1746-A1767 PolarHBondContact N-O 2.89Å; I1762-A1767 HydrophobicContact CG2-CB 4.34Å |
| 1768 | V | 65.8 | Low | 63.9 | Low | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 138.4 | -165.4 | -163.9 | 0 | 0 | 0 | 0 | 112.6 | F1743 I1744 K1745 I1763 K2001 | F1743-V1768 HydrophobicContact CB-CG1 3.64Å; F1743-V1768 HydrophobicContact CD1-CG1 4.18Å; F1743-V1768 HydrophobicContact CG-CG1 4.35Å; I1744-V1768 VanDerWaalsContact O-CA 3.31Å; I1744-V1768 WeakPolarHBondContact O-CA 3.35Å; I1744-V1768 WeakPolarHBondContact O-CG1 3.46Å; K1745-V1768 HydrophobicContact CB-CG2 4.09Å; K1745-V1768 HydrophobicContact CG-CG2 4.23Å; I1763-V1768 HydrophobicContact CB-CG2 4.3Å; I1763-V1768 HydrophobicContact CG1-CG2 4.46Å; I1763-V1768 HydrophobicContact CG2-CG2 4.23Å; I1763-V1768 WeakPolarHBondContact O-CG2 3.48Å; V1768-K2001 WeakPolarHBondContact O-CE 3.43Å |
| 1769 | F | 74.3 | Confident | 66.3 | Low | 65 Ų | 65 | 34.1 Ų | 34.1 | 29% | 0.285 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139.7 | 177.8 | -53.1 | -91.9 | 0 | 0 | 0 | 111.6 | F1743 I1744 V1746 F1780 V1784 Y2000 | F1743-F1769 CarbonylContact C-O 3.59Å; F1743-F1769 VanDerWaalsContact CA-O 3.24Å; F1743-F1769 WeakPolarHBondContact CA-O 3.42Å; I1744-F1769 HydrophobicContact CG2-CB 4.06Å; I1744-F1769 HydrophobicContact CG2-CD2 4.18Å; I1744-F1769 PolarHBondContact N-O 3.22Å; I1744-F1769 PolarHBondContact O-N 2.99Å; I1744-F1769 VanDerWaalsContact O-N 3.13Å; V1746-F1769 HydrophobicContact CG2-CE2 4.43Å; F1769-F1780 HydrophobicContact CB-CZ 4.24Å; F1769-V1784 HydrophobicContact CD2-CG1 3.84Å; F1769-V1784 HydrophobicContact CE2-CG1 3.94Å; F1769-Y2000 AromaticContact CD1-CE2 3.9Å; F1769-Y2000 HydrophobicContact CD1-CE2 3.9Å; F1769-Y2000 AromaticContact CE1-CE2 3.88Å; F1769-Y2000 HydrophobicContact CE1-CE2 3.88Å |
| 1770 | S | 81.3 | Confident | 68.4 | Low | 20 Ų | 20 | 32.4 Ų | 32.4 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 131.2 | 172.2 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | F1780 K1809 D2004 | S1770-F1780 WeakPolarHBondContact O-CE2 3.13Å; S1770-F1780 WeakPolarHBondContact O-CZ 3.43Å; S1770-K1809 PolarHBondContact OG-NZ 3.09Å; S1770-D2004 VanDerWaalsContact CB-OD2 3.28Å; S1770-D2004 WeakPolarHBondContact CB-OD2 3.4Å |
| 1771 | V | 82.5 | Confident | 70.4 | Confident | 6 Ų | 6 | 31.9 Ų | 31.9 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -76.3 | 134.4 | 167.5 | -169.9 | 0 | 0 | 0 | 0 | 108.5 | A1721 L1742 F1780 | A1721-V1771 HydrophobicContact CB-CB 4.22Å; A1721-V1771 HydrophobicContact CB-CG1 3.5Å; A1721-V1771 VanDerWaalsContact CB-CG1 3.5Å; L1742-V1771 HydrophobicContact CB-CB 3.93Å; L1742-V1771 HydrophobicContact CB-CG2 3.68Å; L1742-V1771 WeakPolarHBondContact O-CB 3.35Å; L1742-V1771 WeakPolarHBondContact O-CG2 3.38Å; L1742-V1771 PolarHBondContact O-N 3.34Å; V1771-F1780 HydrophobicContact CB-CD1 4.1Å; V1771-F1780 HydrophobicContact CB-CE1 4.18Å; V1771-F1780 HydrophobicContact CB-CG 4.34Å; V1771-F1780 HydrophobicContact CG1-CB 3.98Å; V1771-F1780 HydrophobicContact CG1-CD1 3.88Å; V1771-F1780 HydrophobicContact CG1-CD2 4.18Å; V1771-F1780 HydrophobicContact CG1-CE1 4.43Å; V1771-F1780 HydrophobicContact CG1-CG 3.73Å; V1771-F1780 HydrophobicContact CG2-CD1 3.67Å; V1771-F1780 HydrophobicContact CG2-CE1 3.7Å; V1771-F1780 HydrophobicContact CG2-CG 4.38Å; V1771-F1780 HydrophobicContact CG2-CZ 4.45Å |
| 1772 | S | 82.5 | Confident | 72.3 | Confident | 53 Ų | 53 | 32.5 Ų | 32.5 | 37% | 0.371 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -68.8 | 136.8 | 172.5 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | A1721 D1774 D1775 | A1721-S1772 WeakPolarHBondContact CB-O 3.34Å; S1772-D1774 PolarHBondContact O-N 3.41Å; S1772-D1774 VanDerWaalsContact O-N 3.14Å; S1772-D1775 WeakPolarHBondContact CB-OD2 3.34Å; S1772-D1775 PolarHBondContact O-N 3.48Å |
| 1773 | S | 81.6 | Confident | 74.1 | Confident | 64 Ų | 64 | 31.6 Ų | 31.6 | 45% | 0.448 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -35 | -176.3 | 55 | 0 | 0 | 0 | 0 | 113.7 | K1722 | K1722-S1773 WeakPolarHBondContact CB-O 3.34Å; K1722-S1773 WeakPolarHBondContact CG-O 3.35Å; K1722-S1773 PolarHBondContact N-O 3.03Å |
| 1774 | D | 83 | Confident | 75.4 | Confident | 67 Ų | 67 | 31.5 Ų | 31.5 | 36% | 0.358 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -0.8 | -168.5 | -81.5 | -87.4 | 0 | 0 | 0 | 114.3 | K1720 K1722 S1772 | K1720-D1774 WeakPolarHBondContact CE-O 3.46Å; K1720-D1774 PolarHBondContact NZ-O 2.76Å; K1720-D1774 IonicContact NZ-OD1 2.66Å; K1722-D1774 WeakPolarHBondContact CE-OD1 3.4Å; K1722-D1774 IonicContact NZ-OD1 2.89Å; K1722-D1774 PolarHBondContact NZ-OD1 3.43Å; K1722-D1774 IonicContact NZ-OD2 2.66Å; K1722-D1774 PolarHBondContact NZ-OD2 2.87Å; S1772-D1774 PolarHBondContact O-N 3.41Å; S1772-D1774 VanDerWaalsContact O-N 3.14Å |
| 1775 | D | 83.6 | Confident | 76.9 | Confident | 35 Ų | 35 | 30.1 Ų | 30.1 | 19% | 0.187 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -79.9 | 149.3 | 168 | -84.9 | -44.4 | 0 | 0 | 0 | 111.9 | K1681 K1720 A1721 S1772 | K1681-D1775 WeakPolarHBondContact CE-OD1 3.49Å; K1681-D1775 IonicContact NZ-OD1 2.71Å; K1681-D1775 PolarHBondContact NZ-OD1 3.46Å; K1720-D1775 VanDerWaalsContact CA-O 3.28Å; K1720-D1775 WeakPolarHBondContact CA-O 3.22Å; A1721-D1775 PolarHBondContact N-O 3.37Å; A1721-D1775 VanDerWaalsContact N-O 3.08Å; S1772-D1775 WeakPolarHBondContact CB-OD2 3.34Å; S1772-D1775 PolarHBondContact O-N 3.48Å |
| 1776 | F | 89.4 | Confident | 78.1 | Confident | 12 Ų | 12 | 31.1 Ų | 31.1 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -70.4 | 136.6 | 171.6 | -61 | -76.7 | 0 | 0 | 0 | 110.1 | S1679 R1680 C1718 S1719 K1720 F1778 D1779 F1780 | S1679-F1776 VanDerWaalsContact O-CE2 3.31Å; S1679-F1776 WeakPolarHBondContact O-CE2 3.15Å; R1680-F1776 HydrophobicContact CG-CD2 4.47Å; R1680-F1776 HydrophobicContact CG-CG 4.5Å; C1718-F1776 HydrophobicContact CB-CE1 4.31Å; C1718-F1776 WeakPolarHBondContact O-CD1 3.43Å; C1718-F1776 VanDerWaalsContact O-CE1 3.32Å; C1718-F1776 WeakPolarHBondContact O-CE1 3.44Å; S1719-F1776 WeakPolarHBondContact O-CA 3.42Å; K1720-F1776 HydrophobicContact CG-CD1 3.91Å; K1720-F1776 HydrophobicContact CG-CE1 4.01Å; F1776-F1778 PolarHBondContact O-N 3.37Å; F1776-D1779 HydrophobicContact CB-CB 4.13Å; F1776-D1779 WeakPolarHBondContact CD2-OD2 3.38Å; F1776-D1779 WeakPolarHBondContact O-CB 3.39Å; F1776-D1779 PolarHBondContact O-N 3.39Å; F1776-D1779 VanDerWaalsContact O-N 3.08Å; F1776-F1780 PolarHBondContact O-N 3.13Å; F1776-F1780 VanDerWaalsContact O-N 3.1Å |
| 1777 | F | 89.7 | Confident | 78.9 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -54.4 | -49.2 | -173 | 174.3 | -99.1 | 0 | 0 | 0 | 113.5 | H1701 V1715 S1719 L1724 L1742 F1780 I1781 I1804 | H1701-F1777 HydrophobicContact CB-CE1 4.29Å; H1701-F1777 HydrophobicContact CB-CZ 4.19Å; H1701-F1777 AromaticContact CD2-CE1 3.72Å; H1701-F1777 AromaticContact CD2-CZ 3.89Å; H1701-F1777 AromaticContact CG-CE1 3.9Å; H1701-F1777 AromaticContact CG-CZ 3.71Å; H1701-F1777 AromaticContact ND1-CZ 3.88Å; V1715-F1777 HydrophobicContact CB-CE1 4.49Å; V1715-F1777 HydrophobicContact CG1-CB 4.24Å; V1715-F1777 HydrophobicContact CG1-CD1 3.55Å; V1715-F1777 HydrophobicContact CG1-CE1 3.97Å; V1715-F1777 HydrophobicContact CG1-CG 4.03Å; V1715-F1777 HydrophobicContact CG2-CE1 4.24Å; S1719-F1777 PolarHBondContact O-N 3.08Å; L1724-F1777 HydrophobicContact CD1-CB 3.74Å; L1724-F1777 HydrophobicContact CD1-CD1 4.4Å; L1724-F1777 HydrophobicContact CD1-CD2 3.28Å; L1724-F1777 HydrophobicContact CD1-CE2 3.84Å; L1724-F1777 HydrophobicContact CD1-CG 3.58Å; L1742-F1777 HydrophobicContact CD1-CD2 4.15Å; L1742-F1777 HydrophobicContact CD1-CE2 4.31Å; F1777-F1780 PolarHBondContact O-N 3.25Å; F1777-I1781 HydrophobicContact CD1-CD1 3.59Å; F1777-I1781 HydrophobicContact CD2-CD1 4.36Å; F1777-I1781 HydrophobicContact CE1-CD1 3.28Å; F1777-I1781 HydrophobicContact CE2-CD1 4.08Å; F1777-I1781 HydrophobicContact CG-CD1 4.16Å; F1777-I1781 HydrophobicContact CZ-CD1 3.57Å; F1777-I1781 WeakPolarHBondContact O-CG1 3.11Å; F1777-I1781 PolarHBondContact O-N 2.67Å; F1777-I1781 VanDerWaalsContact O-N 3.12Å; F1777-I1804 HydrophobicContact CE2-CD1 3.96Å; F1777-I1804 HydrophobicContact CE2-CG1 3.89Å; F1777-I1804 HydrophobicContact CE2-CG2 4.14Å; F1777-I1804 HydrophobicContact CZ-CD1 4.26Å; F1777-I1804 HydrophobicContact CZ-CG1 3.88Å |
| 1778 | F | 89.2 | Confident | 79.4 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.1 | -28.1 | 179.5 | -68.5 | -61 | 0 | 0 | 0 | 113.5 | H1685 V1687 E1688 V1699 V1715 F1776 I1781 R1782 | H1685-F1778 HydrophobicContact CB-CB 4Å; H1685-F1778 HydrophobicContact CB-CD1 3.78Å; H1685-F1778 HydrophobicContact CB-CG 4.16Å; V1687-F1778 HydrophobicContact CB-CE1 4.38Å; E1688-F1778 VanDerWaalsContact CD-CD2 3.46Å; E1688-F1778 HydrophobicContact CG-CD1 4.24Å; E1688-F1778 HydrophobicContact CG-CD2 3.81Å; E1688-F1778 HydrophobicContact CG-CE1 4.22Å; E1688-F1778 HydrophobicContact CG-CE2 3.78Å; E1688-F1778 HydrophobicContact CG-CG 4.05Å; E1688-F1778 HydrophobicContact CG-CZ 4Å; V1699-F1778 HydrophobicContact CG1-CZ 3.98Å; V1715-F1778 HydrophobicContact CB-CE2 4.26Å; V1715-F1778 HydrophobicContact CB-CZ 4.15Å; V1715-F1778 HydrophobicContact CG1-CD2 4.46Å; V1715-F1778 HydrophobicContact CG1-CE2 3.73Å; V1715-F1778 HydrophobicContact CG1-CZ 3.97Å; F1776-F1778 PolarHBondContact O-N 3.37Å; F1778-I1781 HydrophobicContact CD1-CD1 4.31Å; F1778-R1782 VanDerWaalsContact O-CB 3.28Å; F1778-R1782 WeakPolarHBondContact O-CB 3.47Å; F1778-R1782 PolarHBondContact O-N 3.45Å; F1778-R1782 VanDerWaalsContact O-N 3.14Å |
| 1779 | D | 87.2 | Confident | 79.2 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65 | -44.5 | 173 | -76.9 | -17.2 | 0 | 0 | 0 | 110.6 | R1680 K1681 Y1682 F1776 R1782 C1783 | R1680-D1779 WeakPolarHBondContact CD-OD2 3.31Å; R1680-D1779 IonicContact CZ-OD1 2.93Å; R1680-D1779 VanDerWaalsContact NE-CG 3.32Å; R1680-D1779 IonicContact NE-OD1 2.72Å; R1680-D1779 PolarHBondContact NE-OD1 2.9Å; R1680-D1779 IonicContact NE-OD2 3.3Å; R1680-D1779 IonicContact NH2-OD1 3.86Å; K1681-D1779 WeakPolarHBondContact CB-OD2 3.26Å; K1681-D1779 PolarHBondContact N-OD2 3Å; Y1682-D1779 WeakPolarHBondContact CA-OD1 3.28Å; Y1682-D1779 WeakPolarHBondContact CB-OD1 3.49Å; Y1682-D1779 HydrophobicContact CD2-CB 3.72Å; Y1682-D1779 HydrophobicContact CE2-CB 4.42Å; Y1682-D1779 PolarHBondContact N-OD1 3.17Å; F1776-D1779 HydrophobicContact CB-CB 4.13Å; F1776-D1779 WeakPolarHBondContact CD2-OD2 3.38Å; F1776-D1779 WeakPolarHBondContact O-CB 3.39Å; F1776-D1779 PolarHBondContact O-N 3.39Å; F1776-D1779 VanDerWaalsContact O-N 3.08Å; D1779-R1782 PolarHBondContact O-N 2.86Å; D1779-C1783 WeakPolarHBondContact O-CB 3.4Å; D1779-C1783 PolarHBondContact O-N 3.08Å |
| 1780 | F | 84.8 | Confident | 78 | Confident | 32 Ų | 32 | 41.5 Ų | 41.5 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.3 | -46.4 | 179.7 | -172.9 | -88.9 | 0 | 0 | 0 | 112.6 | I1744 F1769 S1770 V1771 F1776 F1777 R1782 C1783 V1784 | I1744-F1780 HydrophobicContact CG2-CD1 4.48Å; I1744-F1780 HydrophobicContact CG2-CE1 3.72Å; F1769-F1780 HydrophobicContact CB-CZ 4.24Å; S1770-F1780 WeakPolarHBondContact O-CE2 3.13Å; S1770-F1780 WeakPolarHBondContact O-CZ 3.43Å; V1771-F1780 HydrophobicContact CB-CD1 4.1Å; V1771-F1780 HydrophobicContact CB-CE1 4.18Å; V1771-F1780 HydrophobicContact CB-CG 4.34Å; V1771-F1780 HydrophobicContact CG1-CB 3.98Å; V1771-F1780 HydrophobicContact CG1-CD1 3.88Å; V1771-F1780 HydrophobicContact CG1-CD2 4.18Å; V1771-F1780 HydrophobicContact CG1-CE1 4.43Å; V1771-F1780 HydrophobicContact CG1-CG 3.73Å; V1771-F1780 HydrophobicContact CG2-CD1 3.67Å; V1771-F1780 HydrophobicContact CG2-CE1 3.7Å; V1771-F1780 HydrophobicContact CG2-CG 4.38Å; V1771-F1780 HydrophobicContact CG2-CZ 4.45Å; F1776-F1780 PolarHBondContact O-N 3.13Å; F1776-F1780 VanDerWaalsContact O-N 3.1Å; F1777-F1780 PolarHBondContact O-N 3.25Å; F1780-R1782 PolarHBondContact O-N 2.86Å; F1780-C1783 WeakPolarHBondContact O-CB 3.42Å; F1780-C1783 PolarHBondContact O-N 3.31Å; F1780-C1783 VanDerWaalsContact O-N 3.14Å; F1780-V1784 HydrophobicContact CD1-CG2 4.12Å; F1780-V1784 HydrophobicContact CE1-CG2 3.62Å; F1780-V1784 HydrophobicContact CZ-CG2 3.87Å; F1780-V1784 PolarHBondContact O-N 3.44Å |
| 1781 | I | 84.6 | Confident | 76.2 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -53.2 | -45.7 | 174.4 | -70.8 | 164.3 | 0 | 0 | 0 | 110.4 | I1744 F1777 F1778 V1784 N1785 F1800 Y1802 I1804 | I1744-I1781 HydrophobicContact CD1-CB 4.37Å; I1744-I1781 HydrophobicContact CD1-CG1 3.95Å; I1744-I1781 HydrophobicContact CD1-CG2 4.4Å; F1777-I1781 HydrophobicContact CD1-CD1 3.59Å; F1777-I1781 HydrophobicContact CD2-CD1 4.36Å; F1777-I1781 HydrophobicContact CE1-CD1 3.28Å; F1777-I1781 HydrophobicContact CE2-CD1 4.08Å; F1777-I1781 HydrophobicContact CG-CD1 4.16Å; F1777-I1781 HydrophobicContact CZ-CD1 3.57Å; F1777-I1781 WeakPolarHBondContact O-CG1 3.11Å; F1777-I1781 PolarHBondContact O-N 2.67Å; F1777-I1781 VanDerWaalsContact O-N 3.12Å; F1778-I1781 HydrophobicContact CD1-CD1 4.31Å; I1781-V1784 PolarHBondContact O-N 3.49Å; I1781-N1785 WeakPolarHBondContact O-CB 3.47Å; I1781-N1785 PolarHBondContact O-N 3.19Å; I1781-F1800 HydrophobicContact CG2-CE1 4.36Å; I1781-Y1802 HydrophobicContact CD1-CE2 3.75Å; I1781-Y1802 HydrophobicContact CG1-CE2 3.99Å; I1781-Y1802 HydrophobicContact CG2-CD1 4.47Å; I1781-Y1802 HydrophobicContact CG2-CD2 4.37Å; I1781-Y1802 HydrophobicContact CG2-CE1 3.96Å; I1781-Y1802 HydrophobicContact CG2-CE2 3.81Å; I1781-I1804 HydrophobicContact CD1-CD1 4.24Å; I1781-I1804 HydrophobicContact CG1-CD1 4.11Å |
| 1782 | R | 82.9 | Confident | 74.4 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 13% | 0.125 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.5 | -37.9 | -178.9 | -157.4 | -165.5 | 123.9 | 108.8 | 24.1 | 112.2 | E1595 F1778 D1779 F1780 N1785 D1786 | E1595-R1782 IonicContact OE1-CZ 3.43Å; E1595-R1782 IonicContact OE1-NH1 2.74Å; E1595-R1782 PolarHBondContact OE1-NH1 2.98Å; E1595-R1782 IonicContact OE1-NH2 3.01Å; E1595-R1782 PolarHBondContact OE1-NH2 3.49Å; F1778-R1782 VanDerWaalsContact O-CB 3.28Å; F1778-R1782 WeakPolarHBondContact O-CB 3.47Å; F1778-R1782 PolarHBondContact O-N 3.45Å; F1778-R1782 VanDerWaalsContact O-N 3.14Å; D1779-R1782 PolarHBondContact O-N 2.86Å; F1780-R1782 PolarHBondContact O-N 2.86Å; R1782-N1785 WeakPolarHBondContact O-CB 3.47Å; R1782-N1785 PolarHBondContact O-N 3.34Å; R1782-D1786 IonicContact CZ-OD2 3.29Å; R1782-D1786 IonicContact NE-OD2 3.29Å; R1782-D1786 IonicContact NH2-OD2 3.62Å; R1782-D1786 PolarHBondContact NH2-OD2 3.4Å; R1782-D1786 PolarHBondContact O-N 3.16Å |
| 1783 | C | 79.3 | Confident | 72.2 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 26% | 0.264 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 173.3 | -165.3 | 0 | 0 | 0 | 0 | 111.6 | Y1682 D1779 F1780 D1786 M1787 | Y1682-C1783 HydrophobicContact CE2-CB 4.35Å; Y1682-C1783 PolarHBondContact OH-SG 3.08Å; D1779-C1783 WeakPolarHBondContact O-CB 3.4Å; D1779-C1783 PolarHBondContact O-N 3.08Å; F1780-C1783 WeakPolarHBondContact O-CB 3.42Å; F1780-C1783 PolarHBondContact O-N 3.31Å; F1780-C1783 VanDerWaalsContact O-N 3.14Å; C1783-D1786 PolarHBondContact O-N 3.34Å; C1783-M1787 WeakPolarHBondContact O-CG 3.31Å; C1783-M1787 PolarHBondContact O-N 2.95Å |
| 1784 | V | 74.2 | Confident | 70.6 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.8 | -34.4 | 178.1 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | I1744 V1746 F1769 F1780 I1781 M1787 S1788 F1800 | I1744-V1784 HydrophobicContact CG2-CB 4.33Å; I1744-V1784 HydrophobicContact CG2-CG1 4.06Å; I1744-V1784 HydrophobicContact CG2-CG2 3.99Å; V1746-V1784 HydrophobicContact CG2-CG1 3.89Å; F1769-V1784 HydrophobicContact CD2-CG1 3.84Å; F1769-V1784 HydrophobicContact CE2-CG1 3.94Å; F1780-V1784 HydrophobicContact CD1-CG2 4.12Å; F1780-V1784 HydrophobicContact CE1-CG2 3.62Å; F1780-V1784 HydrophobicContact CZ-CG2 3.87Å; F1780-V1784 PolarHBondContact O-N 3.44Å; I1781-V1784 PolarHBondContact O-N 3.49Å; V1784-M1787 HydrophobicContact CB-CE 4.44Å; V1784-M1787 HydrophobicContact CG2-CE 3.92Å; V1784-M1787 PolarHBondContact O-N 3.48Å; V1784-S1788 WeakPolarHBondContact O-CB 3.1Å; V1784-S1788 PolarHBondContact O-N 3.03Å; V1784-F1800 HydrophobicContact CB-CZ 4.47Å; V1784-F1800 HydrophobicContact CG1-CZ 4.08Å |
| 1785 | N | 76.9 | Confident | 68.5 | Low | 18 Ų | 18 | 57.7 Ų | 57.7 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 171.1 | -170.2 | -13 | 0 | 0 | 0 | 111.4 | I1781 R1782 M1787 S1788 R1789 F1800 | I1781-N1785 WeakPolarHBondContact O-CB 3.47Å; I1781-N1785 PolarHBondContact O-N 3.19Å; R1782-N1785 WeakPolarHBondContact O-CB 3.47Å; R1782-N1785 PolarHBondContact O-N 3.34Å; N1785-M1787 VanDerWaalsContact C-N 3.31Å; N1785-M1787 PolarHBondContact O-N 3Å; N1785-S1788 PolarHBondContact O-N 3.22Å; N1785-R1789 VanDerWaalsContact O-CG 3.3Å; N1785-R1789 WeakPolarHBondContact O-CG 3.36Å; N1785-R1789 PolarHBondContact O-N 3.45Å; N1785-R1789 PolarHBondContact OD1-NE 3.14Å; N1785-R1789 VanDerWaalsContact OD1-NE 3.09Å; N1785-F1800 HydrophobicContact CB-CD1 3.68Å; N1785-F1800 HydrophobicContact CB-CD2 4.12Å; N1785-F1800 HydrophobicContact CB-CE1 3.75Å; N1785-F1800 HydrophobicContact CB-CE2 4.2Å; N1785-F1800 HydrophobicContact CB-CG 3.87Å; N1785-F1800 HydrophobicContact CB-CZ 4.02Å; N1785-F1800 VanDerWaalsContact CG-CG 3.43Å; N1785-F1800 WeakPolarHBondContact OD1-CB 3.45Å |
| 1786 | D | 68.6 | Low | 66.4 | Low | 42 Ų | 42 | 60.7 Ų | 60.7 | 23% | 0.225 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.7 | -27.4 | 178.1 | -73.6 | -24.5 | 0 | 0 | 0 | 112.5 | R1782 C1783 R1789 K1790 | R1782-D1786 IonicContact CZ-OD2 3.29Å; R1782-D1786 IonicContact NE-OD2 3.29Å; R1782-D1786 IonicContact NH2-OD2 3.62Å; R1782-D1786 PolarHBondContact NH2-OD2 3.4Å; R1782-D1786 PolarHBondContact O-N 3.16Å; C1783-D1786 PolarHBondContact O-N 3.34Å; D1786-R1789 IonicContact OD1-NH1 2.6Å; D1786-R1789 PolarHBondContact OD1-NH1 3.42Å; D1786-K1790 WeakPolarHBondContact O-CG 3.25Å |
| 1787 | M | 62.4 | Low | 64.4 | Low | 90 Ų | 90 | 66.4 Ų | 66.4 | 44% | 0.443 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71 | -47.5 | 167.5 | -71.4 | -166.4 | -65.4 | 0 | 0 | 112.5 | C1783 V1784 N1785 R1789 K1790 S1791 | C1783-M1787 WeakPolarHBondContact O-CG 3.31Å; C1783-M1787 PolarHBondContact O-N 2.95Å; V1784-M1787 HydrophobicContact CB-CE 4.44Å; V1784-M1787 HydrophobicContact CG2-CE 3.92Å; V1784-M1787 PolarHBondContact O-N 3.48Å; N1785-M1787 VanDerWaalsContact C-N 3.31Å; N1785-M1787 PolarHBondContact O-N 3Å; M1787-R1789 PolarHBondContact O-N 3.14Å; M1787-R1789 VanDerWaalsContact O-N 3.16Å; M1787-K1790 WeakPolarHBondContact O-CB 3.09Å; M1787-K1790 PolarHBondContact O-N 2.92Å; M1787-S1791 PolarHBondContact O-N 3.26Å |
| 1788 | S | 62.9 | Low | 62.3 | Low | 15 Ų | 15 | 75.3 Ų | 75.3 | 11% | 0.105 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.4 | -21.4 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 113.4 | V1784 N1785 S1791 | V1784-S1788 WeakPolarHBondContact O-CB 3.1Å; V1784-S1788 PolarHBondContact O-N 3.03Å; N1785-S1788 PolarHBondContact O-N 3.22Å; S1788-S1791 PolarHBondContact O-OG 3.41Å |
| 1789 | R | 62.4 | Low | 60.7 | Low | 158 Ų | 158 | 81.2 Ų | 81.2 | 60% | 0.596 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -78.3 | -26.6 | 172.4 | -74.9 | 166.6 | 170.6 | -168.6 | -8.7 | 113.4 | N1785 D1786 M1787 | N1785-R1789 VanDerWaalsContact O-CG 3.3Å; N1785-R1789 WeakPolarHBondContact O-CG 3.36Å; N1785-R1789 PolarHBondContact O-N 3.45Å; N1785-R1789 PolarHBondContact OD1-NE 3.14Å; N1785-R1789 VanDerWaalsContact OD1-NE 3.09Å; D1786-R1789 IonicContact OD1-NH1 2.6Å; D1786-R1789 PolarHBondContact OD1-NH1 3.42Å; M1787-R1789 PolarHBondContact O-N 3.14Å; M1787-R1789 VanDerWaalsContact O-N 3.16Å |
| 1790 | K | 49.7 | Very low | 59.8 | Low | 180 Ų | 180 | 82.6 Ų | 82.6 | 78% | 0.783 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -79.1 | -27.1 | 178.9 | -71.9 | 175 | -180 | -178.4 | 0 | 113.2 | D1786 M1787 | D1786-K1790 WeakPolarHBondContact O-CG 3.25Å; M1787-K1790 WeakPolarHBondContact O-CB 3.09Å; M1787-K1790 PolarHBondContact O-N 2.92Å |
| 1791 | S | 43.2 | Very low | 59.3 | Low | 95 Ų | 95 | 85 Ų | 85 | 66% | 0.664 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -88.3 | -3.4 | -178 | 57 | 0 | 0 | 0 | 0 | 115 | M1787 S1788 | M1787-S1791 PolarHBondContact O-N 3.26Å; S1788-S1791 PolarHBondContact O-OG 3.41Å |
| 1792 | R | 43.5 | Very low | 59.2 | Low | 104 Ų | 104 | 86.9 Ų | 86.9 | 39% | 0.392 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -111.8 | 140.8 | -176 | -69.7 | -178.2 | 175.7 | 170.3 | 2.1 | 111.9 | E1748 | E1748-R1792 IonicContact OE1-CZ 3.83Å; E1748-R1792 IonicContact OE1-NE 2.81Å; E1748-R1792 IonicContact OE1-NH2 3Å; E1748-R1792 PolarHBondContact OE1-NH2 3Å |
| 1793 | P | 37.1 | Very low | 59.4 | Low | 119 Ų | 119 | 87.3 Ų | 87.3 | 77% | 0.773 | 43% | 0.43 | S | S | * | . | trans | -56.1 | 147.9 | 174.1 | -25.9 | 35.2 | 0 | 0 | 0 | 113 | D1795 | P1793-D1795 VanDerWaalsContact C-N 3.28Å; P1793-D1795 PolarHBondContact O-N 3.27Å | ||
| 1794 | T | 46.9 | Very low | 59.8 | Low | 102 Ų | 102 | 85.5 Ų | 85.5 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -5.8 | -154.4 | 49.8 | 0 | 0 | 0 | 0 | 118.4 | Y1359 | Y1359-T1794 PolarHBondContact OH-OG1 2.83Å; Y1359-T1794 VanDerWaalsContact OH-OG1 3.04Å |
| 1795 | D | 39.6 | Very low | 60.5 | Low | 129 Ų | 129 | 85.7 Ų | 85.7 | 69% | 0.69 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -24.2 | -168.9 | -84.4 | -46.8 | 0 | 0 | 0 | 115.9 | P1793 K1797 | P1793-D1795 VanDerWaalsContact C-N 3.28Å; P1793-D1795 PolarHBondContact O-N 3.27Å; D1795-K1797 PolarHBondContact O-N 3.31Å; D1795-K1797 VanDerWaalsContact O-N 3.1Å |
| 1796 | D | 39.6 | Very low | 61.2 | Low | 99 Ų | 99 | 84.8 Ų | 84.8 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | trans | -92.5 | 74 | -166.6 | -153.3 | 40.1 | 0 | 0 | 0 | 114 | R1798 | D1796-R1798 PolarHBondContact O-N 3Å; D1796-R1798 IonicContact OD1-CZ 3.64Å; D1796-R1798 IonicContact OD1-NE 3.73Å; D1796-R1798 PolarHBondContact OD1-NE 3.48Å; D1796-R1798 IonicContact OD1-NH2 3.79Å; D1796-R1798 PolarHBondContact OD1-NH2 2.85Å; D1796-R1798 WeakPolarHBondContact OD2-CD 3.14Å; D1796-R1798 IonicContact OD2-CZ 2.73Å; D1796-R1798 IonicContact OD2-NE 2.73Å; D1796-R1798 PolarHBondContact OD2-NE 3.38Å; D1796-R1798 IonicContact OD2-NH2 3.77Å; D1796-R1798 PolarHBondContact OD2-NH2 2.92Å | ||
| 1797 | K | 46.9 | Very low | 62.2 | Low | 131 Ų | 131 | 83.2 Ų | 83.2 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | trans | -73.5 | 51.8 | 178.5 | -62.9 | -148.1 | -168.3 | -174.8 | 0 | 114.6 | W726 D1795 | W726-K1797 HydrophobicContact CH2-CD 4.11Å; W726-K1797 HydrophobicContact CH2-CG 4.36Å; W726-K1797 HydrophobicContact CZ2-CD 3.81Å; W726-K1797 HydrophobicContact CZ2-CG 4.41Å; D1795-K1797 PolarHBondContact O-N 3.31Å; D1795-K1797 VanDerWaalsContact O-N 3.1Å | ||
| 1798 | R | 46 | Very low | 63.6 | Low | 189 Ų | 189 | 79.8 Ų | 79.8 | 71% | 0.713 | 39% | 0.387 | S | S | * | . | trans | -83.3 | 156.9 | 172.9 | -59.2 | -175.2 | -154.6 | 179.4 | 19.7 | 111 | D1796 | D1796-R1798 PolarHBondContact O-N 3Å; D1796-R1798 IonicContact OD1-CZ 3.64Å; D1796-R1798 IonicContact OD1-NE 3.73Å; D1796-R1798 PolarHBondContact OD1-NE 3.48Å; D1796-R1798 IonicContact OD1-NH2 3.79Å; D1796-R1798 PolarHBondContact OD1-NH2 2.85Å; D1796-R1798 WeakPolarHBondContact OD2-CD 3.14Å; D1796-R1798 IonicContact OD2-CZ 2.73Å; D1796-R1798 IonicContact OD2-NE 2.73Å; D1796-R1798 PolarHBondContact OD2-NE 3.38Å; D1796-R1798 IonicContact OD2-NH2 3.77Å; D1796-R1798 PolarHBondContact OD2-NH2 2.92Å | ||
| 1799 | N | 56 | Low | 64.9 | Low | 126 Ų | 126 | 80 Ų | 80 | 67% | 0.674 | 39% | 0.386 | S | S | * | . | trans | -59.8 | 138.9 | 179 | -70.9 | -5.1 | 0 | 0 | 0 | 111.1 | E1801 | N1799-E1801 PolarHBondContact O-N 2.87Å; N1799-E1801 VanDerWaalsContact O-N 3.1Å | ||
| 1800 | F | 67.7 | Low | 66.3 | Low | 30 Ų | 30 | 73.3 Ų | 73.3 | 13% | 0.132 | 36% | 0.362 | C | S | . | . | trans | -72.7 | 98.6 | 174.4 | 174.6 | -104.9 | 0 | 0 | 0 | 109.2 | I1744 V1746 I1781 V1784 N1785 Y1802 | I1744-F1800 HydrophobicContact CD1-CE1 4.4Å; I1744-F1800 HydrophobicContact CD1-CZ 4.43Å; V1746-F1800 HydrophobicContact CB-CE2 4.45Å; V1746-F1800 HydrophobicContact CG1-CD2 4.29Å; V1746-F1800 HydrophobicContact CG1-CE2 3.73Å; V1746-F1800 HydrophobicContact CG1-CZ 4.49Å; V1746-F1800 HydrophobicContact CG2-CE2 3.85Å; V1746-F1800 HydrophobicContact CG2-CZ 3.92Å; I1781-F1800 HydrophobicContact CG2-CE1 4.36Å; V1784-F1800 HydrophobicContact CB-CZ 4.47Å; V1784-F1800 HydrophobicContact CG1-CZ 4.08Å; N1785-F1800 HydrophobicContact CB-CD1 3.68Å; N1785-F1800 HydrophobicContact CB-CD2 4.12Å; N1785-F1800 HydrophobicContact CB-CE1 3.75Å; N1785-F1800 HydrophobicContact CB-CE2 4.2Å; N1785-F1800 HydrophobicContact CB-CG 3.87Å; N1785-F1800 HydrophobicContact CB-CZ 4.02Å; N1785-F1800 VanDerWaalsContact CG-CG 3.43Å; N1785-F1800 WeakPolarHBondContact OD1-CB 3.45Å; F1800-Y1802 AromaticContact CD1-CD1 3.44Å; F1800-Y1802 HydrophobicContact CD1-CD1 3.44Å; F1800-Y1802 VanDerWaalsContact CD1-CD1 3.44Å; F1800-Y1802 HydrophobicContact CD1-CE1 4.06Å; F1800-Y1802 HydrophobicContact CD1-CG 4.21Å; F1800-Y1802 AromaticContact CE1-CD1 3.45Å; F1800-Y1802 HydrophobicContact CE1-CD1 3.45Å; F1800-Y1802 VanDerWaalsContact CE1-CD1 3.45Å; F1800-Y1802 HydrophobicContact CE1-CE1 4.22Å; F1800-Y1802 AromaticContact CE1-CG 3.76Å; F1800-Y1802 HydrophobicContact CE1-CG 3.76Å; F1800-Y1802 WeakPolarHBondContact O-CD1 3.41Å | ||
| 1801 | E | 74.6 | Confident | 68.2 | Low | 84 Ų | 84 | 65 Ų | 65 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | trans | -85.8 | 125.1 | 173 | -81.1 | 173.9 | -154.9 | 0 | 0 | 110.7 | N1747 K1749 N1799 | N1747-E1801 HydrophobicContact CB-CB 4.07Å; N1747-E1801 PolarHBondContact N-O 3.19Å; K1749-E1801 WeakPolarHBondContact CE-OE2 3.47Å; K1749-E1801 IonicContact NZ-OE1 3.01Å; K1749-E1801 PolarHBondContact NZ-OE1 3.35Å; K1749-E1801 IonicContact NZ-OE2 3.17Å; K1749-E1801 PolarHBondContact NZ-OE2 2.91Å; N1799-E1801 PolarHBondContact O-N 2.87Å; N1799-E1801 VanDerWaalsContact O-N 3.1Å | ||
| 1802 | Y | 82.8 | Confident | 70.3 | Confident | 39 Ų | 39 | 61 Ų | 61 | 15% | 0.153 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 157.4 | 179.7 | 64.4 | -79.2 | 0 | 0 | 0 | 110.8 | H1685 H1701 I1744 K1745 I1781 F1800 I1804 | H1685-Y1802 PolarHBondContact CE1-OH 2.84Å; H1701-Y1802 AromaticContact CE1-CE2 3.62Å; H1701-Y1802 AromaticContact NE2-CE2 3.46Å; H1701-Y1802 WeakPolarHBondContact NE2-CE2 3.44Å; H1701-Y1802 AromaticContact NE2-CZ 3.61Å; H1701-Y1802 PolarHBondContact NE2-OH 3.26Å; I1744-Y1802 HydrophobicContact CD1-CD2 3.64Å; I1744-Y1802 HydrophobicContact CD1-CE2 4.41Å; I1744-Y1802 HydrophobicContact CD1-CG 3.96Å; I1744-Y1802 HydrophobicContact CG1-CD2 3.94Å; I1744-Y1802 HydrophobicContact CG1-CG 4.29Å; K1745-Y1802 CarbonylContact O-C 3.6Å; K1745-Y1802 VanDerWaalsContact O-CA 3.23Å; K1745-Y1802 WeakPolarHBondContact O-CA 3.29Å; I1781-Y1802 HydrophobicContact CD1-CE2 3.75Å; I1781-Y1802 HydrophobicContact CG1-CE2 3.99Å; I1781-Y1802 HydrophobicContact CG2-CD1 4.47Å; I1781-Y1802 HydrophobicContact CG2-CD2 4.37Å; I1781-Y1802 HydrophobicContact CG2-CE1 3.96Å; I1781-Y1802 HydrophobicContact CG2-CE2 3.81Å; F1800-Y1802 AromaticContact CD1-CD1 3.44Å; F1800-Y1802 HydrophobicContact CD1-CD1 3.44Å; F1800-Y1802 VanDerWaalsContact CD1-CD1 3.44Å; F1800-Y1802 HydrophobicContact CD1-CE1 4.06Å; F1800-Y1802 HydrophobicContact CD1-CG 4.21Å; F1800-Y1802 AromaticContact CE1-CD1 3.45Å; F1800-Y1802 HydrophobicContact CE1-CD1 3.45Å; F1800-Y1802 VanDerWaalsContact CE1-CD1 3.45Å; F1800-Y1802 HydrophobicContact CE1-CE1 4.22Å; F1800-Y1802 AromaticContact CE1-CG 3.76Å; F1800-Y1802 HydrophobicContact CE1-CG 3.76Å; F1800-Y1802 WeakPolarHBondContact O-CD1 3.41Å; Y1802-I1804 HydrophobicContact CD2-CD1 4.23Å; Y1802-I1804 HydrophobicContact CD2-CG1 4.25Å; Y1802-I1804 HydrophobicContact CE2-CD1 4.36Å; Y1802-I1804 HydrophobicContact CE2-CG1 4.23Å |
| 1803 | Q | 86.1 | Confident | 72.2 | Confident | 42 Ų | 42 | 60.9 Ų | 60.9 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.4 | 170 | -69.8 | 175.9 | -25.1 | 0 | 0 | 108.6 | Y1704 I1744 K1745 Y1805 | Y1704-Q1803 HydrophobicContact CD2-CB 4.14Å; Y1704-Q1803 HydrophobicContact CD2-CG 4.4Å; Y1704-Q1803 HydrophobicContact CE2-CB 4.23Å; Y1704-Q1803 HydrophobicContact CE2-CG 4.06Å; I1744-Q1803 WeakPolarHBondContact CA-O 3.47Å; K1745-Q1803 HydrophobicContact CB-CB 4.39Å; K1745-Q1803 PolarHBondContact N-O 3.13Å; K1745-Q1803 PolarHBondContact O-N 2.75Å; Q1803-Y1805 HydrophobicContact CB-CD2 4.23Å; Q1803-Y1805 HydrophobicContact CB-CE2 3.59Å; Q1803-Y1805 PolarHBondContact OE1-OH 2.69Å |
| 1804 | I | 88.4 | Confident | 74.6 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 130 | 172.6 | -60 | -70.4 | 0 | 0 | 0 | 108.3 | V1703 Y1704 L1742 F1743 I1744 F1777 I1781 Y1802 | V1703-I1804 WeakPolarHBondContact CA-O 3.48Å; V1703-I1804 HydrophobicContact CG1-CG2 4.24Å; V1703-I1804 HydrophobicContact CG2-CG2 4.04Å; Y1704-I1804 WeakPolarHBondContact CD2-O 3.23Å; Y1704-I1804 PolarHBondContact N-O 3.47Å; L1742-I1804 HydrophobicContact CB-CG2 4.46Å; L1742-I1804 HydrophobicContact CD2-CG2 3.95Å; F1743-I1804 CarbonylContact O-C 3.57Å; F1743-I1804 WeakPolarHBondContact O-CA 3.2Å; I1744-I1804 HydrophobicContact CB-CD1 4Å; I1744-I1804 HydrophobicContact CD1-CD1 4.01Å; I1744-I1804 HydrophobicContact CG1-CD1 3.82Å; F1777-I1804 HydrophobicContact CE2-CD1 3.96Å; F1777-I1804 HydrophobicContact CE2-CG1 3.89Å; F1777-I1804 HydrophobicContact CE2-CG2 4.14Å; F1777-I1804 HydrophobicContact CZ-CD1 4.26Å; F1777-I1804 HydrophobicContact CZ-CG1 3.88Å; I1781-I1804 HydrophobicContact CD1-CD1 4.24Å; I1781-I1804 HydrophobicContact CG1-CD1 4.11Å; Y1802-I1804 HydrophobicContact CD2-CD1 4.23Å; Y1802-I1804 HydrophobicContact CD2-CG1 4.25Å; Y1802-I1804 HydrophobicContact CE2-CD1 4.36Å; Y1802-I1804 HydrophobicContact CE2-CG1 4.23Å |
| 1805 | Y | 88.8 | Confident | 76.7 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142.6 | 172.5 | -72.7 | -99 | 0 | 0 | 0 | 110.5 | Y1704 L1742 F1743 K1745 I1763 Q1803 | Y1704-Y1805 HydrophobicContact CG-CE1 4.26Å; Y1704-Y1805 CarbonylContact O-C 3.56Å; Y1704-Y1805 VanDerWaalsContact O-CA 3.22Å; Y1704-Y1805 WeakPolarHBondContact O-CA 3.48Å; L1742-Y1805 CarbonylContact C-O 3.59Å; L1742-Y1805 WeakPolarHBondContact CA-O 3.46Å; F1743-Y1805 PolarHBondContact N-O 3.21Å; F1743-Y1805 PolarHBondContact O-N 2.83Å; K1745-Y1805 HydrophobicContact CB-CD2 4.11Å; K1745-Y1805 HydrophobicContact CB-CE2 3.94Å; K1745-Y1805 HydrophobicContact CD-CE2 3.73Å; I1763-Y1805 HydrophobicContact CD1-CD1 4.06Å; I1763-Y1805 HydrophobicContact CD1-CD2 4.46Å; I1763-Y1805 HydrophobicContact CD1-CE1 3.47Å; I1763-Y1805 VanDerWaalsContact CD1-CE1 3.47Å; I1763-Y1805 HydrophobicContact CD1-CE2 3.93Å; I1763-Y1805 VanDerWaalsContact CD1-CZ 3.42Å; I1763-Y1805 HydrophobicContact CG1-CE2 4.43Å; Q1803-Y1805 HydrophobicContact CB-CD2 4.23Å; Q1803-Y1805 HydrophobicContact CB-CE2 3.59Å; Q1803-Y1805 PolarHBondContact OE1-OH 2.69Å |
| 1806 | M | 92.1 | Very high | 79 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 133.4 | 160.5 | 177.1 | 167.9 | 155.2 | 0 | 0 | 108.8 | V1703 Y1704 F1705 V1725 I1728 L1734 F1740 A1741 L1742 F1826 | V1703-M1806 HydrophobicContact CG1-CB 3.98Å; Y1704-M1806 PolarHBondContact O-N 2.8Å; F1705-M1806 HydrophobicContact CD1-CB 4.08Å; F1705-M1806 HydrophobicContact CE1-CB 4.04Å; V1725-M1806 HydrophobicContact CG1-CE 4.18Å; V1725-M1806 HydrophobicContact CG1-SD 4.42Å; I1728-M1806 HydrophobicContact CB-SD 3.57Å; I1728-M1806 VanDerWaalsContact CB-SD 3.57Å; I1728-M1806 HydrophobicContact CG1-SD 3.44Å; I1728-M1806 WeakPolarHBondContact CG1-SD 3.28Å; I1728-M1806 HydrophobicContact CG2-SD 3.79Å; L1734-M1806 HydrophobicContact CD1-CE 3.85Å; F1740-M1806 HydrophobicContact CB-CE 3.85Å; F1740-M1806 HydrophobicContact CD1-CE 3.61Å; F1740-M1806 HydrophobicContact CD1-CG 4.41Å; F1740-M1806 HydrophobicContact CE1-CE 4.3Å; F1740-M1806 HydrophobicContact CG-CE 3.78Å; A1741-M1806 WeakPolarHBondContact O-CA 3.46Å; L1742-M1806 HydrophobicContact CD2-CB 3.95Å; M1806-F1826 HydrophobicContact CB-CE1 4.19Å; M1806-F1826 HydrophobicContact CE-CZ 4.07Å; M1806-F1826 HydrophobicContact CG-CE1 3.94Å; M1806-F1826 HydrophobicContact CG-CZ 4.26Å; M1806-F1826 VanDerWaalsContact O-CE1 3.3Å; M1806-F1826 WeakPolarHBondContact O-CE1 3.34Å; M1806-F1826 HydrophobicContact SD-CZ 4.4Å |
| 1807 | M | 90.4 | Very high | 81.3 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 4% | 0.044 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 157.2 | 179.6 | -54.5 | -165.3 | -76.5 | 0 | 0 | 111 | P1706 F1740 A1741 F1743 I1763 K1809 | P1706-M1807 HydrophobicContact CG-CG 3.95Å; P1706-M1807 HydrophobicContact CG-SD 4.39Å; F1740-M1807 WeakPolarHBondContact CA-O 3.4Å; A1741-M1807 PolarHBondContact N-O 3.02Å; A1741-M1807 PolarHBondContact O-N 3.13Å; F1743-M1807 HydrophobicContact CB-CE 3.85Å; F1743-M1807 HydrophobicContact CD1-CE 3.84Å; F1743-M1807 HydrophobicContact CD2-CB 3.87Å; F1743-M1807 HydrophobicContact CD2-CE 3.56Å; F1743-M1807 HydrophobicContact CD2-CG 4.12Å; F1743-M1807 HydrophobicContact CE1-CE 4.23Å; F1743-M1807 HydrophobicContact CE2-CB 3.79Å; F1743-M1807 HydrophobicContact CE2-CE 3.98Å; F1743-M1807 HydrophobicContact CE2-CG 4.5Å; F1743-M1807 HydrophobicContact CG-CE 3.47Å; F1743-M1807 VanDerWaalsContact CG-CE 3.47Å; F1743-M1807 HydrophobicContact CZ-CE 4.29Å; I1763-M1807 HydrophobicContact CG2-CE 3.68Å; I1763-M1807 HydrophobicContact CG2-SD 3.51Å; I1763-M1807 VanDerWaalsContact CG2-SD 3.51Å; M1807-K1809 PolarHBondContact O-N 3.41Å |
| 1808 | R | 91.2 | Very high | 83.3 | Confident | 18 Ų | 18 | 46.1 Ų | 46.1 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 114.3 | 167.8 | -177.9 | 173.2 | -90.3 | -92.3 | 6.4 | 109.4 | K1738 F1740 L1810 W1811 V1812 H1827 Q1830 | K1738-R1808 PolarHBondContact O-NH1 2.84Å; K1738-R1808 PolarHBondContact O-NH2 3.44Å; F1740-R1808 HydrophobicContact CD1-CB 4.05Å; F1740-R1808 HydrophobicContact CE1-CB 3.83Å; F1740-R1808 HydrophobicContact CZ-CB 4.22Å; R1808-L1810 WeakPolarHBondContact CD-O 3.47Å; R1808-L1810 WeakPolarHBondContact CG-O 3.33Å; R1808-L1810 PolarHBondContact NH1-O 2.85Å; R1808-W1811 HydrophobicContact CB-CZ2 4.41Å; R1808-W1811 HydrophobicContact CG-CD2 4.34Å; R1808-W1811 HydrophobicContact CG-CG 4.31Å; R1808-W1811 PolarHBondContact O-NE1 2.85Å; R1808-V1812 PolarHBondContact NH1-O 3.04Å; R1808-H1827 PolarHBondContact NE-NE2 3.09Å; R1808-Q1830 PolarHBondContact O-NE2 2.89Å |
| 1809 | K | 90 | Very high | 85.5 | Confident | 19 Ų | 19 | 38.1 Ų | 38.1 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | trans | -86.6 | -47.3 | 177.5 | -174.1 | 178.1 | -173.5 | -178.3 | 0 | 111.2 | G1739 A1741 F1743 S1770 M1807 D2004 L2005 S2008 | G1739-K1809 PolarHBondContact O-N 3.27Å; A1741-K1809 HydrophobicContact CB-CB 4.02Å; A1741-K1809 HydrophobicContact CB-CD 4.08Å; F1743-K1809 HydrophobicContact CE2-CB 4.22Å; F1743-K1809 HydrophobicContact CZ-CB 3.89Å; F1743-K1809 HydrophobicContact CZ-CD 4.17Å; F1743-K1809 HydrophobicContact CZ-CG 3.96Å; S1770-K1809 PolarHBondContact OG-NZ 3.09Å; M1807-K1809 PolarHBondContact O-N 3.41Å; K1809-D2004 WeakPolarHBondContact CE-OD2 3.47Å; K1809-D2004 IonicContact NZ-OD1 2.71Å; K1809-D2004 PolarHBondContact NZ-OD1 3.03Å; K1809-D2004 IonicContact NZ-OD2 3.54Å; K1809-D2004 PolarHBondContact NZ-OD2 2.92Å; K1809-L2005 HydrophobicContact CG-CD1 4.09Å; K1809-S2008 VanDerWaalsContact CE-OG 3.29Å; K1809-S2008 WeakPolarHBondContact CE-OG 3.41Å; K1809-S2008 PolarHBondContact NZ-OG 3.12Å | ||
| 1810 | L | 90.7 | Very high | 87.3 | Confident | 17 Ų | 17 | 37.6 Ų | 37.6 | 9% | 0.089 | 19% | 0.187 | C | C | . | . | trans | -106.8 | 130.5 | -179.5 | -52.2 | -179.2 | 0 | 0 | 0 | 110.1 | G1739 R1808 V1812 Y2009 H2012 | G1739-L1810 PolarHBondContact O-N 3Å; R1808-L1810 WeakPolarHBondContact CD-O 3.47Å; R1808-L1810 WeakPolarHBondContact CG-O 3.33Å; R1808-L1810 PolarHBondContact NH1-O 2.85Å; L1810-V1812 HydrophobicContact CB-CG2 4.18Å; L1810-V1812 PolarHBondContact O-N 3.28Å; L1810-Y2009 HydrophobicContact CB-CE1 4.05Å; L1810-Y2009 HydrophobicContact CD2-CD1 3.88Å; L1810-Y2009 HydrophobicContact CD2-CD2 3.62Å; L1810-Y2009 HydrophobicContact CD2-CE1 3.91Å; L1810-Y2009 HydrophobicContact CD2-CE2 3.66Å; L1810-Y2009 HydrophobicContact CD2-CG 3.74Å; L1810-H2012 HydrophobicContact CD1-CB 3.82Å | ||
| 1811 | W | 91.4 | Very high | 88.4 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | trans | -101.7 | 33.5 | -173.3 | -75 | 69.7 | 0 | 0 | 0 | 113.4 | R1808 V1814 H1827 Q1830 E1831 F1922 G1923 Y2009 | R1808-W1811 HydrophobicContact CB-CZ2 4.41Å; R1808-W1811 HydrophobicContact CG-CD2 4.34Å; R1808-W1811 HydrophobicContact CG-CG 4.31Å; R1808-W1811 PolarHBondContact O-NE1 2.85Å; W1811-V1814 HydrophobicContact CB-CG2 4.43Å; W1811-V1814 HydrophobicContact CD2-CG2 4.37Å; W1811-V1814 HydrophobicContact CE3-CB 4.37Å; W1811-V1814 HydrophobicContact CE3-CG1 4.18Å; W1811-V1814 HydrophobicContact CE3-CG2 3.91Å; W1811-V1814 HydrophobicContact CZ3-CG1 4.26Å; W1811-H1827 HydrophobicContact CH2-CB 3.82Å; W1811-H1827 HydrophobicContact CZ3-CB 4.05Å; W1811-Q1830 HydrophobicContact CH2-CB 4.26Å; W1811-Q1830 HydrophobicContact CZ2-CB 3.83Å; W1811-E1831 HydrophobicContact CH2-CG 3.68Å; W1811-E1831 HydrophobicContact CZ3-CG 3.88Å; W1811-F1922 HydrophobicContact CE3-CD1 4.5Å; W1811-F1922 AromaticContact CE3-CE1 3.95Å; W1811-F1922 HydrophobicContact CE3-CE1 3.95Å; W1811-F1922 HydrophobicContact CE3-CZ 4.21Å; W1811-F1922 HydrophobicContact CZ3-CE1 4.05Å; W1811-F1922 HydrophobicContact CZ3-CE2 4.38Å; W1811-F1922 AromaticContact CZ3-CZ 3.81Å; W1811-F1922 HydrophobicContact CZ3-CZ 3.81Å; W1811-G1923 VanDerWaalsContact CD2-CA 3.44Å; W1811-G1923 VanDerWaalsContact CG-CA 3.46Å; W1811-Y2009 PolarHBondContact N-OH 3.21Å | ||
| 1812 | V | 86.5 | Confident | 89.3 | Confident | 9 Ų | 9 | 36.3 Ų | 36.3 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 145 | 165.7 | -75 | 0 | 0 | 0 | 0 | 111.8 | R1808 L1810 V1814 K1947 H2012 F2013 | R1808-V1812 PolarHBondContact NH1-O 3.04Å; L1810-V1812 HydrophobicContact CB-CG2 4.18Å; L1810-V1812 PolarHBondContact O-N 3.28Å; V1812-V1814 PolarHBondContact O-N 3.42Å; V1812-K1947 HydrophobicContact CG1-CB 4.29Å; V1812-H2012 WeakPolarHBondContact CG2-NE2 3.29Å; V1812-F2013 HydrophobicContact CG1-CE1 4.3Å; V1812-F2013 HydrophobicContact CG1-CZ 4.17Å |
| 1813 | D | 82.8 | Confident | 89.8 | Confident | 102 Ų | 102 | 34.5 Ų | 34.5 | 55% | 0.545 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 13.8 | 174.3 | -54.3 | -35.3 | 0 | 0 | 0 | 118 | V1815 | D1813-V1815 PolarHBondContact O-N 3.5Š|
| 1814 | V | 89.1 | Confident | 90 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 11% | 0.109 | 17% | 0.171 | C | C | . | . | trans | -68.3 | 115.6 | 173.9 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | W1811 V1812 F1922 | W1811-V1814 HydrophobicContact CB-CG2 4.43Å; W1811-V1814 HydrophobicContact CD2-CG2 4.37Å; W1811-V1814 HydrophobicContact CE3-CB 4.37Å; W1811-V1814 HydrophobicContact CE3-CG1 4.18Å; W1811-V1814 HydrophobicContact CE3-CG2 3.91Å; W1811-V1814 HydrophobicContact CZ3-CG1 4.26Å; V1812-V1814 PolarHBondContact O-N 3.42Å; V1814-F1922 HydrophobicContact CB-CE1 4.35Å; V1814-F1922 HydrophobicContact CG1-CE1 3.89Å; V1814-F1922 HydrophobicContact CG1-CZ 4.15Å | ||
| 1815 | V | 89.3 | Confident | 90.2 | Very high | 88 Ų | 88 | 34 Ų | 34 | 53% | 0.533 | 17% | 0.174 | S | C | . | . | trans | -130 | 112.9 | 174.5 | 179 | 0 | 0 | 0 | 0 | 108.3 | D1813 G1817 K1818 | D1813-V1815 PolarHBondContact O-N 3.5Å; V1815-G1817 PolarHBondContact O-N 3.03Å; V1815-K1818 HydrophobicContact CB-CB 3.98Å; V1815-K1818 HydrophobicContact CB-CD 4.04Å; V1815-K1818 HydrophobicContact CG1-CB 4.33Å; V1815-K1818 HydrophobicContact CG2-CD 4.39Å; V1815-K1818 WeakPolarHBondContact O-CB 3.25Å; V1815-K1818 PolarHBondContact O-N 3.05Å | ||
| 1816 | A | 88.7 | Confident | 90.4 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 10% | 0.099 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 117.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1913 R1914 | A1816-L1913 HydrophobicContact CB-CB 3.66Å; A1816-R1914 HydrophobicContact CB-CB 4.41Å; A1816-R1914 HydrophobicContact CB-CG 3.6Å; A1816-R1914 PolarHBondContact O-NE 3.44Å |
| 1817 | G | 87.2 | Confident | 90.4 | Very high | 27 Ų | 27 | 34 Ų | 34 | 28% | 0.278 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99 | -10.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1815 D1823 | V1815-G1817 PolarHBondContact O-N 3.03Å; G1817-D1823 VanDerWaalsContact CA-OD2 3.3Å; G1817-D1823 WeakPolarHBondContact CA-OD2 3.39Å; G1817-D1823 PolarHBondContact N-OD2 2.69Å |
| 1818 | K | 90.4 | Very high | 90.5 | Very high | 126 Ų | 126 | 34.7 Ų | 34.7 | 55% | 0.548 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -38.2 | 179.1 | -174 | -178.7 | 174.6 | -171.1 | 0 | 111.5 | K1735 V1815 | K1735-K1818 WeakPolarHBondContact CD-O 3.16Å; K1735-K1818 WeakPolarHBondContact CE-O 3.44Å; K1735-K1818 PolarHBondContact NZ-O 3.32Å; V1815-K1818 HydrophobicContact CB-CB 3.98Å; V1815-K1818 HydrophobicContact CB-CD 4.04Å; V1815-K1818 HydrophobicContact CG1-CB 4.33Å; V1815-K1818 HydrophobicContact CG2-CD 4.39Å; V1815-K1818 WeakPolarHBondContact O-CB 3.25Å; V1815-K1818 PolarHBondContact O-N 3.05Å |
| 1819 | D | 92.2 | Very high | 90.6 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 11% | 0.112 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -130.7 | 90.7 | 170.3 | -175 | -20.3 | 0 | 0 | 0 | 108.7 | K1735 Q1821 A1822 D1823 | K1735-D1819 HydrophobicContact CB-CB 4.44Å; K1735-D1819 WeakPolarHBondContact CB-OD2 3.31Å; K1735-D1819 HydrophobicContact CD-CB 4.29Å; K1735-D1819 HydrophobicContact CG-CB 4.42Å; K1735-D1819 PolarHBondContact N-OD2 3.49Å; D1819-Q1821 PolarHBondContact O-N 2.96Å; D1819-Q1821 VanDerWaalsContact O-N 3.15Å; D1819-Q1821 PolarHBondContact OD1-N 3.02Å; D1819-Q1821 VanDerWaalsContact OD1-N 3.08Å; D1819-A1822 HydrophobicContact CB-CB 3.88Å; D1819-A1822 VanDerWaalsContact CG-CB 3.49Å; D1819-A1822 PolarHBondContact O-N 3.21Å; D1819-A1822 PolarHBondContact OD1-N 3.46Å; D1819-D1823 PolarHBondContact O-N 3.5Å |
| 1820 | R | 92.4 | Very high | 90.6 | Very high | 115 Ų | 115 | 34.3 Ų | 34.3 | 43% | 0.434 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.2 | -30.1 | -178.1 | -63.3 | -178.4 | 72.4 | 152.7 | -0.1 | 112 | D1823 I1824 E1907 I1910 | R1820-D1823 PolarHBondContact O-N 2.83Å; R1820-I1824 HydrophobicContact CB-CD1 4.5Å; R1820-I1824 WeakPolarHBondContact O-CB 3.29Å; R1820-I1824 WeakPolarHBondContact O-CD1 3.35Å; R1820-I1824 WeakPolarHBondContact O-CG1 3.38Å; R1820-I1824 PolarHBondContact O-N 3.29Å; R1820-E1907 IonicContact CZ-OE1 2.62Å; R1820-E1907 IonicContact NH1-OE1 2.58Å; R1820-E1907 IonicContact NH2-OE1 3.34Å; R1820-E1907 PolarHBondContact NH2-OE1 3.5Å; R1820-I1910 HydrophobicContact CB-CD1 4.12Å; R1820-I1910 HydrophobicContact CG-CD1 3.78Å |
| 1821 | Q | 91.7 | Very high | 90.6 | Very high | 85 Ų | 85 | 33.6 Ų | 33.6 | 40% | 0.397 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -81.4 | -37.2 | -176.7 | -156.6 | 67.3 | -5.3 | 0 | 0 | 111.6 | L1734 D1819 D1823 V1825 | L1734-Q1821 HydrophobicContact CD2-CB 4.27Å; L1734-Q1821 HydrophobicContact CD2-CG 4.48Å; D1819-Q1821 PolarHBondContact O-N 2.96Å; D1819-Q1821 VanDerWaalsContact O-N 3.15Å; D1819-Q1821 PolarHBondContact OD1-N 3.02Å; D1819-Q1821 VanDerWaalsContact OD1-N 3.08Å; Q1821-D1823 VanDerWaalsContact C-N 3.3Å; Q1821-D1823 PolarHBondContact O-N 3.3Å; Q1821-V1825 HydrophobicContact CG-CG2 4.37Å; Q1821-V1825 WeakPolarHBondContact O-CB 3.49Å; Q1821-V1825 WeakPolarHBondContact O-CG2 3.46Å; Q1821-V1825 PolarHBondContact O-N 3.24Å |
| 1822 | A | 92.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.017 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1734 F1740 D1819 F1826 H1827 | L1734-A1822 HydrophobicContact CD2-CB 4.1Å; F1740-A1822 HydrophobicContact CZ-CB 4.31Å; D1819-A1822 HydrophobicContact CB-CB 3.88Å; D1819-A1822 VanDerWaalsContact CG-CB 3.49Å; D1819-A1822 PolarHBondContact O-N 3.21Å; D1819-A1822 PolarHBondContact OD1-N 3.46Å; A1822-F1826 WeakPolarHBondContact O-CA 3.3Å; A1822-F1826 WeakPolarHBondContact O-CB 3.27Å; A1822-F1826 PolarHBondContact O-N 3.33Å; A1822-H1827 VanDerWaalsContact CB-CE1 3.41Å; A1822-H1827 WeakPolarHBondContact CB-CE1 3.21Å; A1822-H1827 PolarHBondContact O-N 3.49Å |
| 1823 | D | 93.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -62.1 | -47 | 178.1 | -68.9 | -33.5 | 0 | 0 | 0 | 112.9 | G1817 D1819 R1820 Q1821 H1827 Y1828 I1910 L1913 | G1817-D1823 VanDerWaalsContact CA-OD2 3.3Å; G1817-D1823 WeakPolarHBondContact CA-OD2 3.39Å; G1817-D1823 PolarHBondContact N-OD2 2.69Å; D1819-D1823 PolarHBondContact O-N 3.5Å; R1820-D1823 PolarHBondContact O-N 2.83Å; Q1821-D1823 VanDerWaalsContact C-N 3.3Å; Q1821-D1823 PolarHBondContact O-N 3.3Å; D1823-H1827 PolarHBondContact O-N 3.19Å; D1823-H1827 IonicContact OD1-CE1 3.36Å; D1823-H1827 IonicContact OD1-CG 3.27Å; D1823-H1827 IonicContact OD1-ND1 3.4Å; D1823-H1827 PolarHBondContact OD1-ND1 3.29Å; D1823-Y1828 WeakPolarHBondContact O-CB 3.39Å; D1823-Y1828 PolarHBondContact O-N 2.61Å; D1823-I1910 HydrophobicContact CB-CG1 4.18Å; D1823-L1913 HydrophobicContact CB-CD1 3.69Å |
| 1824 | I | 92.1 | Very high | 91 | Very high | 24 Ų | 24 | 29.8 Ų | 29.8 | 12% | 0.123 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -73.4 | -41.4 | -176.3 | -68.4 | 160.4 | 0 | 0 | 0 | 112.4 | R1820 D1906 K1909 | R1820-I1824 HydrophobicContact CB-CD1 4.5Å; R1820-I1824 WeakPolarHBondContact O-CB 3.29Å; R1820-I1824 WeakPolarHBondContact O-CD1 3.35Å; R1820-I1824 WeakPolarHBondContact O-CG1 3.38Å; R1820-I1824 PolarHBondContact O-N 3.29Å; I1824-D1906 HydrophobicContact CD1-CB 3.66Å; I1824-D1906 HydrophobicContact CG1-CB 3.96Å; I1824-K1909 HydrophobicContact CG1-CD 4.45Å; I1824-K1909 HydrophobicContact CG2-CD 4.35Å |
| 1825 | V | 91.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 29 Ų | 29 | 6% | 0.055 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -87.8 | -32.5 | -172.9 | -179.4 | 0 | 0 | 0 | 0 | 112.4 | F1705 Q1821 P1829 | F1705-V1825 HydrophobicContact CB-CG1 3.89Å; F1705-V1825 HydrophobicContact CD2-CG1 4.16Å; F1705-V1825 HydrophobicContact CG-CG1 4.04Å; Q1821-V1825 HydrophobicContact CG-CG2 4.37Å; Q1821-V1825 WeakPolarHBondContact O-CB 3.49Å; Q1821-V1825 WeakPolarHBondContact O-CG2 3.46Å; Q1821-V1825 PolarHBondContact O-N 3.24Å; V1825-P1829 VanDerWaalsContact O-CG 3.26Å; V1825-P1829 WeakPolarHBondContact O-CG 3.41Å |
| 1826 | F | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -124.9 | -53.8 | -172.1 | -55.1 | -85.2 | 0 | 0 | 0 | 113.7 | F1705 P1706 L1732 L1734 F1740 M1806 A1822 P1829 Q1830 | F1705-F1826 HydrophobicContact CB-CE1 4.29Å; F1705-F1826 AromaticContact CD1-CE1 3.7Å; F1705-F1826 HydrophobicContact CD1-CE1 3.7Å; F1705-F1826 AromaticContact CD1-CZ 3.81Å; F1705-F1826 HydrophobicContact CD1-CZ 3.81Å; F1705-F1826 HydrophobicContact CE1-CE1 4.44Å; F1705-F1826 HydrophobicContact CE1-CZ 4.21Å; F1705-F1826 HydrophobicContact CG-CE1 4.22Å; F1705-F1826 HydrophobicContact CG-CZ 4.29Å; P1706-F1826 HydrophobicContact CG-CD1 4.02Å; L1732-F1826 HydrophobicContact CD1-CE2 3.77Å; L1732-F1826 HydrophobicContact CD1-CZ 3.64Å; L1734-F1826 HydrophobicContact CD1-CE2 3.93Å; L1734-F1826 HydrophobicContact CD2-CE2 4.19Å; F1740-F1826 HydrophobicContact CD1-CD1 4.43Å; F1740-F1826 HydrophobicContact CD1-CG 4.47Å; F1740-F1826 HydrophobicContact CE1-CB 3.87Å; F1740-F1826 AromaticContact CE1-CD1 3.92Å; F1740-F1826 HydrophobicContact CE1-CD1 3.92Å; F1740-F1826 AromaticContact CE1-CD2 3.68Å; F1740-F1826 HydrophobicContact CE1-CD2 3.68Å; F1740-F1826 HydrophobicContact CE1-CE1 4.36Å; F1740-F1826 HydrophobicContact CE1-CE2 4.14Å; F1740-F1826 AromaticContact CE1-CG 3.55Å; F1740-F1826 HydrophobicContact CE1-CG 3.55Å; F1740-F1826 HydrophobicContact CE1-CZ 4.46Å; F1740-F1826 HydrophobicContact CZ-CB 4.44Å; F1740-F1826 HydrophobicContact CZ-CD2 4.14Å; F1740-F1826 HydrophobicContact CZ-CG 4.32Å; M1806-F1826 HydrophobicContact CB-CE1 4.19Å; M1806-F1826 HydrophobicContact CE-CZ 4.07Å; M1806-F1826 HydrophobicContact CG-CE1 3.94Å; M1806-F1826 HydrophobicContact CG-CZ 4.26Å; M1806-F1826 VanDerWaalsContact O-CE1 3.3Å; M1806-F1826 WeakPolarHBondContact O-CE1 3.34Å; M1806-F1826 HydrophobicContact SD-CZ 4.4Å; A1822-F1826 WeakPolarHBondContact O-CA 3.3Å; A1822-F1826 WeakPolarHBondContact O-CB 3.27Å; A1822-F1826 PolarHBondContact O-N 3.33Å; F1826-P1829 WeakPolarHBondContact O-CD 3.44Å; F1826-P1829 WeakPolarHBondContact O-CG 3.46Å; F1826-Q1830 VanDerWaalsContact O-CB 3.23Å; F1826-Q1830 WeakPolarHBondContact O-CB 3.49Å; F1826-Q1830 VanDerWaalsContact O-CG 3.22Å; F1826-Q1830 WeakPolarHBondContact O-CG 3.34Å; F1826-Q1830 PolarHBondContact O-N 3.2Å |
| 1827 | H | 93.1 | Very high | 91 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -69 | -50.7 | -167.1 | -49.6 | 149.6 | 0 | 0 | 0 | 112.8 | R1808 W1811 A1822 D1823 Q1830 E1831 L1913 | R1808-H1827 PolarHBondContact NE-NE2 3.09Å; W1811-H1827 HydrophobicContact CH2-CB 3.82Å; W1811-H1827 HydrophobicContact CZ3-CB 4.05Å; A1822-H1827 VanDerWaalsContact CB-CE1 3.41Å; A1822-H1827 WeakPolarHBondContact CB-CE1 3.21Å; A1822-H1827 PolarHBondContact O-N 3.49Å; D1823-H1827 PolarHBondContact O-N 3.19Å; D1823-H1827 IonicContact OD1-CE1 3.36Å; D1823-H1827 IonicContact OD1-CG 3.27Å; D1823-H1827 IonicContact OD1-ND1 3.4Å; D1823-H1827 PolarHBondContact OD1-ND1 3.29Å; H1827-Q1830 PolarHBondContact O-N 2.97Å; H1827-E1831 PolarHBondContact O-N 3.17Å; H1827-L1913 HydrophobicContact CB-CD1 3.83Å; H1827-L1913 HydrophobicContact CB-CD2 3.98Å |
| 1828 | Y | 93.4 | Very high | 91 | Very high | 22 Ų | 22 | 26.2 Ų | 26.2 | 9% | 0.086 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.3 | -53.8 | 177.3 | 173.1 | -92.1 | 0 | 0 | 0 | 112.7 | D1823 Q1830 E1831 V1832 A1857 K1909 F1912 | D1823-Y1828 WeakPolarHBondContact O-CB 3.39Å; D1823-Y1828 PolarHBondContact O-N 2.61Å; Y1828-Q1830 PolarHBondContact O-N 3.41Å; Y1828-E1831 PolarHBondContact O-N 2.8Å; Y1828-V1832 HydrophobicContact CD1-CG2 4.34Å; Y1828-V1832 HydrophobicContact CD2-CG2 3.85Å; Y1828-V1832 HydrophobicContact CE1-CG2 3.99Å; Y1828-V1832 HydrophobicContact CE2-CG2 3.46Å; Y1828-V1832 VanDerWaalsContact CE2-CG2 3.46Å; Y1828-V1832 HydrophobicContact CG-CG2 4.28Å; Y1828-V1832 PolarHBondContact O-N 3.35Å; Y1828-V1832 VanDerWaalsContact O-N 3.08Å; Y1828-A1857 HydrophobicContact CE1-CB 4.45Å; Y1828-A1857 HydrophobicContact CE2-CB 4.5Å; Y1828-A1857 WeakPolarHBondContact OH-CB 3.47Å; Y1828-K1909 HydrophobicContact CD1-CB 4.18Å; Y1828-K1909 HydrophobicContact CD1-CD 3.94Å; Y1828-K1909 HydrophobicContact CD1-CG 3.65Å; Y1828-K1909 VanDerWaalsContact CD2-CA 3.47Å; Y1828-K1909 HydrophobicContact CD2-CB 3.59Å; Y1828-K1909 HydrophobicContact CD2-CG 3.78Å; Y1828-K1909 HydrophobicContact CE1-CD 4.31Å; Y1828-K1909 HydrophobicContact CE1-CG 3.8Å; Y1828-K1909 HydrophobicContact CE2-CB 4.09Å; Y1828-K1909 HydrophobicContact CE2-CG 3.91Å; Y1828-K1909 HydrophobicContact CG-CB 3.63Å; Y1828-K1909 HydrophobicContact CG-CD 4.21Å; Y1828-K1909 HydrophobicContact CG-CG 3.64Å; Y1828-F1912 HydrophobicContact CD2-CB 4.15Å; Y1828-F1912 AromaticContact CD2-CD1 3.7Å; Y1828-F1912 HydrophobicContact CD2-CD1 3.7Å; Y1828-F1912 HydrophobicContact CD2-CE1 4.45Å; Y1828-F1912 HydrophobicContact CD2-CG 4.08Å; Y1828-F1912 HydrophobicContact CE2-CB 4Å; Y1828-F1912 AromaticContact CE2-CD1 3.92Å; Y1828-F1912 HydrophobicContact CE2-CD1 3.92Å; Y1828-F1912 AromaticContact CE2-CG 3.89Å; Y1828-F1912 HydrophobicContact CE2-CG 3.89Å |
| 1829 | P | 91.4 | Very high | 90.9 | Very high | 16 Ų | 16 | 21.1 Ų | 21.1 | 10% | 0.104 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.8 | -18.7 | 179 | 25.2 | -34 | 0 | 0 | 0 | 114.2 | P1706 N1707 V1825 F1826 P1833 | P1706-P1829 HydrophobicContact CB-CB 3.92Å; P1706-P1829 HydrophobicContact CB-CG 3.89Å; P1706-P1829 WeakPolarHBondContact O-CB 3.29Å; N1707-P1829 HydrophobicContact CB-CG 4.24Å; V1825-P1829 VanDerWaalsContact O-CG 3.26Å; V1825-P1829 WeakPolarHBondContact O-CG 3.41Å; F1826-P1829 WeakPolarHBondContact O-CD 3.44Å; F1826-P1829 WeakPolarHBondContact O-CG 3.46Å; P1829-P1833 WeakPolarHBondContact O-CD 3.37Å; P1829-P1833 WeakPolarHBondContact O-CG 3.44Å |
| 1830 | Q | 91.2 | Very high | 90.9 | Very high | 13 Ų | 13 | 20.3 Ų | 20.3 | 6% | 0.061 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -83.5 | -26.7 | 171.8 | -74.8 | -175.9 | -114.8 | 0 | 0 | 114.1 | P1706 I1764 R1808 W1811 F1826 H1827 Y1828 K1834 | P1706-Q1830 HydrophobicContact CB-CG 4.01Å; P1706-Q1830 HydrophobicContact CG-CG 3.84Å; I1764-Q1830 HydrophobicContact CD1-CB 4.48Å; R1808-Q1830 PolarHBondContact O-NE2 2.89Å; W1811-Q1830 HydrophobicContact CH2-CB 4.26Å; W1811-Q1830 HydrophobicContact CZ2-CB 3.83Å; F1826-Q1830 VanDerWaalsContact O-CB 3.23Å; F1826-Q1830 WeakPolarHBondContact O-CB 3.49Å; F1826-Q1830 VanDerWaalsContact O-CG 3.22Å; F1826-Q1830 WeakPolarHBondContact O-CG 3.34Å; F1826-Q1830 PolarHBondContact O-N 3.2Å; H1827-Q1830 PolarHBondContact O-N 2.97Å; Y1828-Q1830 PolarHBondContact O-N 3.41Å; Q1830-K1834 WeakPolarHBondContact O-CE 3.49Å |
| 1831 | E | 91.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -92.4 | -39 | -178.9 | -76.6 | -62.2 | 158.6 | 0 | 0 | 114.5 | W1811 H1827 Y1828 P1833 K1834 Y1835 H1840 F1912 L1913 F1922 G1923 | W1811-E1831 HydrophobicContact CH2-CG 3.68Å; W1811-E1831 HydrophobicContact CZ3-CG 3.88Å; H1827-E1831 PolarHBondContact O-N 3.17Å; Y1828-E1831 PolarHBondContact O-N 2.8Å; E1831-P1833 VanDerWaalsContact C-CD 3.47Å; E1831-P1833 VanDerWaalsContact C-N 3.31Å; E1831-K1834 VanDerWaalsContact CD-NZ 3.33Å; E1831-K1834 WeakPolarHBondContact O-CB 3.48Å; E1831-K1834 PolarHBondContact O-N 3.05Å; E1831-K1834 IonicContact OE1-NZ 3.65Å; E1831-K1834 PolarHBondContact OE1-NZ 3.09Å; E1831-K1834 WeakPolarHBondContact OE2-CD 3.31Å; E1831-K1834 IonicContact OE2-NZ 3.27Å; E1831-Y1835 PolarHBondContact O-N 3.39Å; E1831-Y1835 VanDerWaalsContact O-N 3.11Å; E1831-H1840 IonicContact OE2-CE1 3.44Å; E1831-H1840 IonicContact OE2-NE2 3.57Å; E1831-F1912 HydrophobicContact CB-CE1 4.21Å; E1831-L1913 HydrophobicContact CB-CD2 4.41Å; E1831-L1913 HydrophobicContact CG-CD2 4.36Å; E1831-F1922 HydrophobicContact CG-CD2 4.25Å; E1831-F1922 HydrophobicContact CG-CE2 3.91Å; E1831-G1923 WeakPolarHBondContact OE1-CA 3.48Å; E1831-G1923 PolarHBondContact OE1-N 2.92Å |
| 1832 | V | 91.8 | Very high | 90.6 | Very high | 14 Ų | 14 | 17.3 Ų | 17.3 | 9% | 0.085 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -51.6 | -42.8 | 177.3 | 170.8 | 0 | 0 | 0 | 0 | 112.9 | Y1828 K1834 Y1835 L1836 I1854 F1912 | Y1828-V1832 HydrophobicContact CD1-CG2 4.34Å; Y1828-V1832 HydrophobicContact CD2-CG2 3.85Å; Y1828-V1832 HydrophobicContact CE1-CG2 3.99Å; Y1828-V1832 HydrophobicContact CE2-CG2 3.46Å; Y1828-V1832 VanDerWaalsContact CE2-CG2 3.46Å; Y1828-V1832 HydrophobicContact CG-CG2 4.28Å; Y1828-V1832 PolarHBondContact O-N 3.35Å; Y1828-V1832 VanDerWaalsContact O-N 3.08Å; V1832-K1834 VanDerWaalsContact C-N 3.28Å; V1832-K1834 PolarHBondContact O-N 3.43Å; V1832-Y1835 PolarHBondContact O-N 3.48Å; V1832-L1836 HydrophobicContact CG1-CD1 3.73Å; V1832-L1836 HydrophobicContact CG1-CG 4.1Å; V1832-L1836 WeakPolarHBondContact O-CG 3.45Å; V1832-L1836 PolarHBondContact O-N 3.37Å; V1832-I1854 HydrophobicContact CG1-CD1 4.04Å; V1832-I1854 HydrophobicContact CG1-CG1 4.33Å; V1832-I1854 HydrophobicContact CG1-CG2 4.44Å; V1832-I1854 HydrophobicContact CG2-CD1 4.38Å; V1832-I1854 HydrophobicContact CG2-CG1 4.15Å; V1832-F1912 HydrophobicContact CB-CZ 4.41Å; V1832-F1912 HydrophobicContact CG2-CD1 4.05Å; V1832-F1912 HydrophobicContact CG2-CE1 3.56Å; V1832-F1912 HydrophobicContact CG2-CE2 4.1Å; V1832-F1912 HydrophobicContact CG2-CZ 3.6Å |
| 1833 | P | 87.8 | Confident | 90.5 | Very high | 12 Ų | 12 | 19.3 Ų | 19.3 | 8% | 0.078 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -54.8 | -35.6 | 173 | -32.3 | 40.1 | 0 | 0 | 0 | 115.4 | V1760 I1761 I1764 P1829 E1831 R1837 | V1760-P1833 HydrophobicContact CG1-CG 4.01Å; I1761-P1833 HydrophobicContact CG1-CB 3.77Å; I1761-P1833 HydrophobicContact CG1-CG 4.42Å; I1764-P1833 HydrophobicContact CD1-CB 4.11Å; I1764-P1833 HydrophobicContact CD1-CG 4.11Å; P1829-P1833 WeakPolarHBondContact O-CD 3.37Å; P1829-P1833 WeakPolarHBondContact O-CG 3.44Å; E1831-P1833 VanDerWaalsContact C-CD 3.47Å; E1831-P1833 VanDerWaalsContact C-N 3.31Å; P1833-R1837 PolarHBondContact O-N 2.91Å; P1833-R1837 VanDerWaalsContact O-N 3.15Å |
| 1834 | K | 88.8 | Confident | 90.3 | Very high | 11 Ų | 11 | 22 Ų | 22 | 5% | 0.048 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -78.6 | -39.2 | -177.7 | -49.5 | -175.4 | -153.1 | 168.6 | 0 | 111.1 | Q1830 E1831 V1832 G1838 Y1839 H1840 S1924 F1926 | Q1830-K1834 WeakPolarHBondContact O-CE 3.49Å; E1831-K1834 VanDerWaalsContact CD-NZ 3.33Å; E1831-K1834 WeakPolarHBondContact O-CB 3.48Å; E1831-K1834 PolarHBondContact O-N 3.05Å; E1831-K1834 IonicContact OE1-NZ 3.65Å; E1831-K1834 PolarHBondContact OE1-NZ 3.09Å; E1831-K1834 WeakPolarHBondContact OE2-CD 3.31Å; E1831-K1834 IonicContact OE2-NZ 3.27Å; V1832-K1834 VanDerWaalsContact C-N 3.28Å; V1832-K1834 PolarHBondContact O-N 3.43Å; K1834-G1838 PolarHBondContact O-N 3.07Å; K1834-Y1839 HydrophobicContact CB-CD2 4.45Å; K1834-Y1839 PolarHBondContact O-N 3.15Å; K1834-H1840 WeakPolarHBondContact CB-NE2 3.4Å; K1834-S1924 WeakPolarHBondContact CD-O 3.36Å; K1834-S1924 WeakPolarHBondContact CE-O 3.32Å; K1834-S1924 PolarHBondContact NZ-O 3.45Å; K1834-F1926 HydrophobicContact CB-CD2 4.44Å; K1834-F1926 HydrophobicContact CB-CE2 4.12Å; K1834-F1926 HydrophobicContact CD-CD2 4.07Å; K1834-F1926 HydrophobicContact CD-CE2 3.84Å; K1834-F1926 HydrophobicContact CG-CE2 4.46Å |
| 1835 | Y | 92 | Very high | 90.2 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 168.8 | 165.7 | -99.6 | 0 | 0 | 0 | 111.6 | E1831 V1832 R1837 G1838 A1847 L1850 I1854 P1877 F1912 W1919 | E1831-Y1835 PolarHBondContact O-N 3.39Å; E1831-Y1835 VanDerWaalsContact O-N 3.11Å; V1832-Y1835 PolarHBondContact O-N 3.48Å; Y1835-R1837 PolarHBondContact O-N 2.97Å; Y1835-G1838 VanDerWaalsContact O-CA 3.29Å; Y1835-G1838 WeakPolarHBondContact O-CA 3.46Å; Y1835-G1838 PolarHBondContact O-N 3.24Å; Y1835-A1847 WeakPolarHBondContact OH-CA 3.42Å; Y1835-A1847 PolarHBondContact OH-O 3.03Å; Y1835-A1847 VanDerWaalsContact OH-O 3.08Å; Y1835-L1850 HydrophobicContact CD2-CD1 3.99Å; Y1835-L1850 HydrophobicContact CE1-CB 4.4Å; Y1835-L1850 HydrophobicContact CE2-CB 3.98Å; Y1835-L1850 HydrophobicContact CE2-CD1 3.55Å; Y1835-L1850 HydrophobicContact CE2-CG 4.43Å; Y1835-I1854 HydrophobicContact CD1-CD1 3.61Å; Y1835-I1854 HydrophobicContact CE1-CD1 3.41Å; Y1835-I1854 VanDerWaalsContact CE1-CD1 3.41Å; Y1835-P1877 HydrophobicContact CD1-CG 4.46Å; Y1835-P1877 HydrophobicContact CD2-CG 3.95Å; Y1835-P1877 HydrophobicContact CE1-CG 4.03Å; Y1835-P1877 HydrophobicContact CE2-CG 3.49Å; Y1835-P1877 VanDerWaalsContact CE2-CG 3.49Å; Y1835-P1877 HydrophobicContact CG-CG 4.42Å; Y1835-P1877 WeakPolarHBondContact O-CB 3.5Å; Y1835-P1877 WeakPolarHBondContact O-CG 3.05Å; Y1835-P1877 WeakPolarHBondContact OH-CD 3.49Å; Y1835-F1912 HydrophobicContact CD1-CE2 4.19Å; Y1835-F1912 HydrophobicContact CD1-CZ 4.39Å; Y1835-F1912 HydrophobicContact CG-CE2 4.28Å; Y1835-F1912 HydrophobicContact CG-CZ 4.22Å; Y1835-W1919 AromaticContact CD2-CH2 3.96Å; Y1835-W1919 HydrophobicContact CD2-CH2 3.96Å; Y1835-W1919 HydrophobicContact CD2-CZ3 4.33Å; Y1835-W1919 HydrophobicContact CE2-CH2 4.41Å |
| 1836 | L | 89.9 | Confident | 90.3 | Very high | 17 Ų | 17 | 30.3 Ų | 30.3 | 9% | 0.089 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.3 | -31.3 | -178.5 | -68.2 | 176.6 | 0 | 0 | 0 | 113.7 | I1757 V1832 G1838 E1874 L1875 P1877 Q1878 | I1757-L1836 HydrophobicContact CG2-CD1 4.29Å; V1832-L1836 HydrophobicContact CG1-CD1 3.73Å; V1832-L1836 HydrophobicContact CG1-CG 4.1Å; V1832-L1836 WeakPolarHBondContact O-CG 3.45Å; V1832-L1836 PolarHBondContact O-N 3.37Å; L1836-G1838 PolarHBondContact O-N 2.89Å; L1836-E1874 WeakPolarHBondContact CD1-O 3.37Å; L1836-E1874 VanDerWaalsContact CD2-O 3.3Å; L1836-E1874 WeakPolarHBondContact CD2-O 3.28Å; L1836-L1875 VanDerWaalsContact CD2-C 3.47Å; L1836-P1877 WeakPolarHBondContact O-CA 3.43Å; L1836-Q1878 PolarHBondContact O-N 2.89Å |
| 1837 | R | 84.9 | Confident | 90.3 | Very high | 49 Ų | 49 | 30.3 Ų | 30.3 | 19% | 0.185 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -7.7 | 165.9 | -80.8 | -167.2 | 178.7 | -175.6 | 8 | 113.9 | P1833 Y1835 Y1839 | P1833-R1837 PolarHBondContact O-N 2.91Å; P1833-R1837 VanDerWaalsContact O-N 3.15Å; Y1835-R1837 PolarHBondContact O-N 2.97Å; R1837-Y1839 VanDerWaalsContact C-N 3.32Å; R1837-Y1839 HydrophobicContact CB-CD1 4.43Å; R1837-Y1839 HydrophobicContact CB-CD2 3.87Å; R1837-Y1839 HydrophobicContact CB-CE2 3.96Å; R1837-Y1839 HydrophobicContact CB-CG 4.14Å; R1837-Y1839 HydrophobicContact CG-CE2 4.31Å; R1837-Y1839 PolarHBondContact NH1-OH 3.28Å; R1837-Y1839 PolarHBondContact O-N 3.05Å |
| 1838 | G | 88.3 | Confident | 90.3 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 34.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | K1834 Y1835 L1836 H1840 N1879 R1958 | K1834-G1838 PolarHBondContact O-N 3.07Å; Y1835-G1838 VanDerWaalsContact O-CA 3.29Å; Y1835-G1838 WeakPolarHBondContact O-CA 3.46Å; Y1835-G1838 PolarHBondContact O-N 3.24Å; L1836-G1838 PolarHBondContact O-N 2.89Å; G1838-H1840 VanDerWaalsContact C-N 3.31Å; G1838-N1879 WeakPolarHBondContact CA-OD1 3.33Å; G1838-R1958 PolarHBondContact O-NE 2.87Å; G1838-R1958 PolarHBondContact O-NH2 3.23Å |
| 1839 | Y | 88.4 | Confident | 90.3 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 8% | 0.078 | 16% | 0.163 | C | C | . | . | trans | -75.3 | -20.4 | 177.5 | -71.9 | -38.8 | 0 | 0 | 0 | 113.2 | K1834 R1837 F1926 D1928 L1942 | K1834-Y1839 HydrophobicContact CB-CD2 4.45Å; K1834-Y1839 PolarHBondContact O-N 3.15Å; R1837-Y1839 VanDerWaalsContact C-N 3.32Å; R1837-Y1839 HydrophobicContact CB-CD1 4.43Å; R1837-Y1839 HydrophobicContact CB-CD2 3.87Å; R1837-Y1839 HydrophobicContact CB-CE2 3.96Å; R1837-Y1839 HydrophobicContact CB-CG 4.14Å; R1837-Y1839 HydrophobicContact CG-CE2 4.31Å; R1837-Y1839 PolarHBondContact NH1-OH 3.28Å; R1837-Y1839 PolarHBondContact O-N 3.05Å; Y1839-F1926 HydrophobicContact CD1-CB 4.45Å; Y1839-F1926 HydrophobicContact CD2-CB 3.89Å; Y1839-F1926 AromaticContact CD2-CD2 3.7Å; Y1839-F1926 HydrophobicContact CD2-CD2 3.7Å; Y1839-F1926 HydrophobicContact CD2-CE2 4.43Å; Y1839-F1926 AromaticContact CD2-CG 3.97Å; Y1839-F1926 HydrophobicContact CD2-CG 3.97Å; Y1839-F1926 HydrophobicContact CE2-CB 4.03Å; Y1839-F1926 HydrophobicContact CG-CB 4.09Å; Y1839-F1926 AromaticContact CG-CD2 3.96Å; Y1839-F1926 HydrophobicContact CG-CD2 3.96Å; Y1839-F1926 HydrophobicContact CG-CE2 4.46Å; Y1839-F1926 AromaticContact CG-CG 3.97Å; Y1839-F1926 HydrophobicContact CG-CG 3.97Å; Y1839-D1928 PolarHBondContact OH-OD2 3.46Å; Y1839-L1942 HydrophobicContact CD1-CD1 3.89Å; Y1839-L1942 HydrophobicContact CD1-CD2 3.45Å; Y1839-L1942 VanDerWaalsContact CD1-CD2 3.45Å; Y1839-L1942 HydrophobicContact CD1-CG 4.25Å; Y1839-L1942 HydrophobicContact CE1-CD1 3.66Å; Y1839-L1942 HydrophobicContact CE1-CD2 4.09Å; Y1839-L1942 HydrophobicContact CE1-CG 4.42Å; Y1839-L1942 HydrophobicContact CG-CD2 4.01Å | ||
| 1840 | H | 90.2 | Very high | 90.4 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -93.4 | 145.7 | 173.6 | -51.3 | -97.4 | 0 | 0 | 0 | 110.3 | E1831 K1834 G1838 C1842 W1919 T1921 F1926 | E1831-H1840 IonicContact OE2-CE1 3.44Å; E1831-H1840 IonicContact OE2-NE2 3.57Å; K1834-H1840 WeakPolarHBondContact CB-NE2 3.4Å; G1838-H1840 VanDerWaalsContact C-N 3.31Å; H1840-C1842 PolarHBondContact O-N 2.95Å; H1840-W1919 HydrophobicContact CB-CD2 4.36Å; H1840-W1919 HydrophobicContact CB-CE3 3.55Å; H1840-W1919 HydrophobicContact CB-CH2 4.32Å; H1840-W1919 HydrophobicContact CB-CZ3 3.51Å; H1840-W1919 AromaticContact CG-CE3 3.65Å; H1840-W1919 AromaticContact CG-CZ3 3.71Å; H1840-W1919 AromaticContact ND1-CE3 3.7Å; H1840-T1921 PolarHBondContact CE1-O 2.91Å; H1840-T1921 VanDerWaalsContact CE1-O 3.29Å; H1840-T1921 PolarHBondContact ND1-OG1 2.86Å; H1840-F1926 AromaticContact CE1-CE2 3.7Å; H1840-F1926 AromaticContact CE1-CZ 3.66Å; H1840-F1926 AromaticContact ND1-CZ 3.9Å; H1840-F1926 AromaticContact NE2-CE2 3.62Å; H1840-F1926 AromaticContact NE2-CZ 3.91Å |
| 1841 | K | 89.2 | Confident | 90.5 | Very high | 116 Ų | 116 | 32.3 Ų | 32.3 | 50% | 0.504 | 16% | 0.155 | S | C | . | . | trans | -71.6 | 122.9 | 167.1 | -164.1 | 176.9 | -176.5 | -172.7 | 0 | 108 | R1958 E1959 | K1841-R1958 HydrophobicContact CB-CB 4.14Å; K1841-E1959 IonicContact NZ-OE1 3.9Å; K1841-E1959 PolarHBondContact NZ-OE1 3.19Å | ||
| 1842 | C | 89.4 | Confident | 90.5 | Very high | 21 Ų | 21 | 32.4 Ų | 32.4 | 14% | 0.142 | 16% | 0.157 | C | C | . | . | trans | -141.5 | 133.7 | -173.1 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | H1840 E1846 L1880 W1919 | H1840-C1842 PolarHBondContact O-N 2.95Å; C1842-E1846 VanDerWaalsContact SG-CB 3.6Å; C1842-L1880 HydrophobicContact CB-CD1 4.42Å; C1842-W1919 HydrophobicContact CB-CH2 4.14Å; C1842-W1919 HydrophobicContact CB-CZ2 4.12Å | ||
| 1843 | S | 90.3 | Very high | 90.6 | Very high | 44 Ų | 44 | 32.6 Ų | 32.6 | 31% | 0.308 | 16% | 0.157 | S | C | . | . | trans | -70.7 | 168.8 | 170.6 | 61.9 | 0 | 0 | 0 | 0 | 111.6 | E1845 E1846 A1847 | S1843-E1845 VanDerWaalsContact C-N 3.29Å; S1843-E1846 VanDerWaalsContact CB-OE2 3.3Å; S1843-E1846 WeakPolarHBondContact CB-OE2 3.29Å; S1843-E1846 PolarHBondContact N-OE2 3.35Å; S1843-E1846 VanDerWaalsContact OG-CB 3.31Å; S1843-E1846 WeakPolarHBondContact OG-CB 3.26Å; S1843-E1846 WeakPolarHBondContact OG-CG 3.48Å; S1843-E1846 PolarHBondContact OG-N 3.41Å; S1843-E1846 VanDerWaalsContact OG-N 3.11Å; S1843-E1846 PolarHBondContact OG-OE2 2.9Å; S1843-A1847 WeakPolarHBondContact O-CB 3.46Å; S1843-A1847 PolarHBondContact O-N 3.44Å; S1843-A1847 VanDerWaalsContact O-N 3.09Å | ||
| 1844 | K | 89.5 | Confident | 90.8 | Very high | 58 Ų | 58 | 32.3 Ų | 32.3 | 25% | 0.252 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -68.1 | -37.2 | 175.1 | -65.2 | -167.5 | 179.6 | -166.8 | 0 | 110.6 | A1847 V1848 T1883 F1884 W1889 | K1844-A1847 WeakPolarHBondContact O-CB 3.48Å; K1844-A1847 PolarHBondContact O-N 3.34Å; K1844-V1848 WeakPolarHBondContact O-CG2 3.32Å; K1844-V1848 PolarHBondContact O-N 2.79Å; K1844-T1883 VanDerWaalsContact CE-CG2 3.47Å; K1844-T1883 PolarHBondContact NZ-O 2.91Å; K1844-F1884 HydrophobicContact CB-CE2 4.48Å; K1844-F1884 HydrophobicContact CD-CD2 4.23Å; K1844-F1884 HydrophobicContact CD-CE1 4.49Å; K1844-F1884 HydrophobicContact CD-CE2 3.55Å; K1844-F1884 HydrophobicContact CD-CZ 3.69Å; K1844-W1889 HydrophobicContact CB-CH2 4.41Å |
| 1845 | E | 90.2 | Very high | 91 | Very high | 138 Ų | 138 | 31.8 Ų | 31.8 | 65% | 0.645 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -66.7 | -49.2 | -177.5 | -63.9 | 64.4 | -145.4 | 0 | 0 | 110.4 | S1843 A1847 V1848 E1849 | S1843-E1845 VanDerWaalsContact C-N 3.29Å; E1845-A1847 VanDerWaalsContact C-N 3.29Å; E1845-A1847 PolarHBondContact O-N 3.35Å; E1845-V1848 PolarHBondContact O-N 3.19Å; E1845-E1849 PolarHBondContact O-N 2.89Å |
| 1846 | E | 92.7 | Very high | 90.9 | Very high | 68 Ų | 68 | 32.6 Ų | 32.6 | 32% | 0.318 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57.9 | -41 | 169.4 | -74.2 | 165.7 | 117.8 | 0 | 0 | 111.4 | C1842 S1843 V1848 E1849 L1850 W1919 | C1842-E1846 VanDerWaalsContact SG-CB 3.6Å; S1843-E1846 VanDerWaalsContact CB-OE2 3.3Å; S1843-E1846 WeakPolarHBondContact CB-OE2 3.29Å; S1843-E1846 PolarHBondContact N-OE2 3.35Å; S1843-E1846 VanDerWaalsContact OG-CB 3.31Å; S1843-E1846 WeakPolarHBondContact OG-CB 3.26Å; S1843-E1846 WeakPolarHBondContact OG-CG 3.48Å; S1843-E1846 PolarHBondContact OG-N 3.41Å; S1843-E1846 VanDerWaalsContact OG-N 3.11Å; S1843-E1846 PolarHBondContact OG-OE2 2.9Å; E1846-V1848 VanDerWaalsContact C-N 3.34Å; E1846-V1848 PolarHBondContact O-N 3.44Å; E1846-E1849 PolarHBondContact O-N 3.24Å; E1846-L1850 HydrophobicContact CB-CD1 4.4Å; E1846-L1850 VanDerWaalsContact O-CB 3.3Å; E1846-L1850 WeakPolarHBondContact O-CB 3.21Å; E1846-L1850 VanDerWaalsContact O-CG 3.22Å; E1846-L1850 WeakPolarHBondContact O-CG 3.49Å; E1846-L1850 PolarHBondContact O-N 3.07Å; E1846-W1919 PolarHBondContact OE1-NE1 2.78Å |
| 1847 | A | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.2 | -34.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1835 S1843 K1844 E1845 A1851 L1880 W1889 | Y1835-A1847 WeakPolarHBondContact OH-CA 3.42Å; Y1835-A1847 PolarHBondContact OH-O 3.03Å; Y1835-A1847 VanDerWaalsContact OH-O 3.08Å; S1843-A1847 WeakPolarHBondContact O-CB 3.46Å; S1843-A1847 PolarHBondContact O-N 3.44Å; S1843-A1847 VanDerWaalsContact O-N 3.09Å; K1844-A1847 WeakPolarHBondContact O-CB 3.48Å; K1844-A1847 PolarHBondContact O-N 3.34Å; E1845-A1847 VanDerWaalsContact C-N 3.29Å; E1845-A1847 PolarHBondContact O-N 3.35Å; A1847-A1851 WeakPolarHBondContact O-CB 3.31Å; A1847-A1851 PolarHBondContact O-N 2.99Å; A1847-L1880 HydrophobicContact CB-CD1 3.69Å; A1847-W1889 HydrophobicContact CB-CH2 4.23Å; A1847-W1889 HydrophobicContact CB-CZ3 4.27Å |
| 1848 | V | 92.7 | Very high | 91.1 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -46.4 | 171.9 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | K1844 E1845 E1846 A1851 A1852 W1889 Q1892 I1893 V1896 | K1844-V1848 WeakPolarHBondContact O-CG2 3.32Å; K1844-V1848 PolarHBondContact O-N 2.79Å; E1845-V1848 PolarHBondContact O-N 3.19Å; E1846-V1848 VanDerWaalsContact C-N 3.34Å; E1846-V1848 PolarHBondContact O-N 3.44Å; V1848-A1851 PolarHBondContact O-N 3.35Å; V1848-A1852 WeakPolarHBondContact O-CB 3.34Å; V1848-A1852 PolarHBondContact O-N 3.14Å; V1848-W1889 HydrophobicContact CG2-CE3 4.08Å; V1848-W1889 HydrophobicContact CG2-CZ3 3.76Å; V1848-Q1892 HydrophobicContact CB-CB 4.45Å; V1848-Q1892 VanDerWaalsContact CG1-C 3.48Å; V1848-Q1892 HydrophobicContact CG1-CB 3.79Å; V1848-Q1892 WeakPolarHBondContact CG1-O 3.3Å; V1848-Q1892 HydrophobicContact CG2-CB 3.68Å; V1848-Q1892 HydrophobicContact CG2-CG 4.39Å; V1848-I1893 HydrophobicContact CG1-CG1 4.38Å; V1848-V1896 HydrophobicContact CG1-CB 4.15Å; V1848-V1896 HydrophobicContact CG1-CG2 3.59Å |
| 1849 | E | 92.7 | Very high | 91.1 | Very high | 90 Ų | 90 | 35.4 Ų | 35.4 | 42% | 0.421 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.4 | -43.7 | -176.9 | -170.1 | 171.5 | -121.5 | 0 | 0 | 112 | E1845 E1846 A1852 L1853 V1896 L1915 | E1845-E1849 PolarHBondContact O-N 2.89Å; E1846-E1849 PolarHBondContact O-N 3.24Å; E1849-A1852 PolarHBondContact O-N 2.87Å; E1849-L1853 WeakPolarHBondContact O-CG 3.3Å; E1849-L1853 PolarHBondContact O-N 2.88Å; E1849-L1853 VanDerWaalsContact O-N 3.08Å; E1849-V1896 HydrophobicContact CG-CG1 4.41Å; E1849-L1915 HydrophobicContact CG-CD1 4.16Å |
| 1850 | L | 94.8 | Very high | 91 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.8 | -39.7 | 175 | -66.4 | 170.3 | 0 | 0 | 0 | 111.9 | Y1835 E1846 A1852 L1853 I1854 F1912 L1915 T1916 W1919 | Y1835-L1850 HydrophobicContact CD2-CD1 3.99Å; Y1835-L1850 HydrophobicContact CE1-CB 4.4Å; Y1835-L1850 HydrophobicContact CE2-CB 3.98Å; Y1835-L1850 HydrophobicContact CE2-CD1 3.55Å; Y1835-L1850 HydrophobicContact CE2-CG 4.43Å; E1846-L1850 HydrophobicContact CB-CD1 4.4Å; E1846-L1850 VanDerWaalsContact O-CB 3.3Å; E1846-L1850 WeakPolarHBondContact O-CB 3.21Å; E1846-L1850 VanDerWaalsContact O-CG 3.22Å; E1846-L1850 WeakPolarHBondContact O-CG 3.49Å; E1846-L1850 PolarHBondContact O-N 3.07Å; L1850-A1852 PolarHBondContact O-N 3.11Å; L1850-L1853 PolarHBondContact O-N 2.79Å; L1850-I1854 VanDerWaalsContact O-CG1 3.3Å; L1850-I1854 WeakPolarHBondContact O-CG1 3.44Å; L1850-I1854 PolarHBondContact O-N 3.13Å; L1850-F1912 HydrophobicContact CB-CD2 4.18Å; L1850-F1912 HydrophobicContact CB-CE2 4.1Å; L1850-F1912 HydrophobicContact CD2-CD2 3.51Å; L1850-F1912 HydrophobicContact CD2-CE2 3.8Å; L1850-F1912 HydrophobicContact CD2-CG 4.25Å; L1850-F1912 HydrophobicContact CG-CD2 4.41Å; L1850-F1912 HydrophobicContact CG-CE2 4.39Å; L1850-L1915 HydrophobicContact CD2-CB 3.86Å; L1850-L1915 HydrophobicContact CD2-CD1 3.83Å; L1850-T1916 HydrophobicContact CD1-CG2 4.27Å; L1850-T1916 HydrophobicContact CD2-CG2 3.99Å; L1850-W1919 HydrophobicContact CD1-CH2 3.48Å; L1850-W1919 VanDerWaalsContact CD1-CH2 3.48Å; L1850-W1919 HydrophobicContact CD1-CZ2 3.76Å |
| 1851 | A | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1847 V1848 I1854 Y1855 L1875 I1876 I1893 | A1847-A1851 WeakPolarHBondContact O-CB 3.31Å; A1847-A1851 PolarHBondContact O-N 2.99Å; V1848-A1851 PolarHBondContact O-N 3.35Å; A1851-I1854 PolarHBondContact O-N 2.59Å; A1851-Y1855 WeakPolarHBondContact O-CB 3.33Å; A1851-Y1855 PolarHBondContact O-N 3.08Å; A1851-L1875 HydrophobicContact CB-CB 3.93Å; A1851-I1876 HydrophobicContact CB-CD1 3.83Å; A1851-I1893 HydrophobicContact CB-CD1 3.79Å; A1851-I1893 HydrophobicContact CB-CG1 3.86Å |
| 1852 | A | 91.3 | Very high | 89.9 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 5% | 0.05 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.9 | -37.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1848 E1849 L1850 R1856 I1893 V1896 | V1848-A1852 WeakPolarHBondContact O-CB 3.34Å; V1848-A1852 PolarHBondContact O-N 3.14Å; E1849-A1852 PolarHBondContact O-N 2.87Å; L1850-A1852 PolarHBondContact O-N 3.11Å; A1852-R1856 PolarHBondContact O-N 3.49Å; A1852-I1893 HydrophobicContact CB-CG2 4.27Å; A1852-V1896 HydrophobicContact CB-CB 4.29Å; A1852-V1896 HydrophobicContact CB-CG1 4.05Å |
| 1853 | L | 93 | Very high | 89.5 | Confident | 18 Ų | 18 | 40.3 Ų | 40.3 | 9% | 0.094 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.6 | -44.3 | 174.6 | -71.8 | 167.3 | 0 | 0 | 0 | 112.4 | E1849 L1850 Y1855 R1856 A1857 L1903 A1908 Q1911 F1912 L1915 | E1849-L1853 WeakPolarHBondContact O-CG 3.3Å; E1849-L1853 PolarHBondContact O-N 2.88Å; E1849-L1853 VanDerWaalsContact O-N 3.08Å; L1850-L1853 PolarHBondContact O-N 2.79Å; L1853-Y1855 VanDerWaalsContact C-N 3.33Å; L1853-Y1855 PolarHBondContact O-N 3.25Å; L1853-R1856 PolarHBondContact O-N 3.11Å; L1853-A1857 WeakPolarHBondContact O-CB 3.29Å; L1853-A1857 PolarHBondContact O-N 3.25Å; L1853-L1903 HydrophobicContact CD2-CD1 4.42Å; L1853-A1908 HydrophobicContact CD2-CB 4.26Å; L1853-Q1911 HydrophobicContact CD2-CB 4.24Å; L1853-F1912 HydrophobicContact CB-CB 4.36Å; L1853-F1912 HydrophobicContact CD1-CB 4.46Å; L1853-L1915 HydrophobicContact CD1-CD1 3.64Å |
| 1854 | I | 93.1 | Very high | 88.8 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 174.9 | -65.2 | 162.6 | 0 | 0 | 0 | 110.1 | V1832 Y1835 L1850 A1851 R1856 A1857 S1858 L1875 F1912 | V1832-I1854 HydrophobicContact CG1-CD1 4.04Å; V1832-I1854 HydrophobicContact CG1-CG1 4.33Å; V1832-I1854 HydrophobicContact CG1-CG2 4.44Å; V1832-I1854 HydrophobicContact CG2-CD1 4.38Å; V1832-I1854 HydrophobicContact CG2-CG1 4.15Å; Y1835-I1854 HydrophobicContact CD1-CD1 3.61Å; Y1835-I1854 HydrophobicContact CE1-CD1 3.41Å; Y1835-I1854 VanDerWaalsContact CE1-CD1 3.41Å; L1850-I1854 VanDerWaalsContact O-CG1 3.3Å; L1850-I1854 WeakPolarHBondContact O-CG1 3.44Å; L1850-I1854 PolarHBondContact O-N 3.13Å; A1851-I1854 PolarHBondContact O-N 2.59Å; I1854-R1856 PolarHBondContact O-N 2.83Å; I1854-A1857 PolarHBondContact O-N 3.45Å; I1854-S1858 WeakPolarHBondContact O-CB 3.42Å; I1854-S1858 PolarHBondContact O-N 2.87Å; I1854-S1858 PolarHBondContact O-OG 3.11Å; I1854-S1858 VanDerWaalsContact O-OG 3.13Å; I1854-L1875 HydrophobicContact CB-CD2 3.9Å; I1854-L1875 HydrophobicContact CG2-CD2 3.54Å; I1854-F1912 HydrophobicContact CD1-CD2 4.21Å; I1854-F1912 HydrophobicContact CD1-CE2 3.73Å; I1854-F1912 HydrophobicContact CG1-CD2 3.88Å; I1854-F1912 HydrophobicContact CG1-CE2 3.89Å |
| 1855 | Y | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.2 | -47 | 177.1 | -174.7 | -102.4 | 0 | 0 | 0 | 111.7 | A1851 L1853 A1857 S1858 Y1859 S1862 Q1863 Q1865 L1866 V1871 L1875 Y1897 | A1851-Y1855 WeakPolarHBondContact O-CB 3.33Å; A1851-Y1855 PolarHBondContact O-N 3.08Å; L1853-Y1855 VanDerWaalsContact C-N 3.33Å; L1853-Y1855 PolarHBondContact O-N 3.25Å; Y1855-A1857 PolarHBondContact O-N 2.68Å; Y1855-S1858 PolarHBondContact O-N 3.23Å; Y1855-Y1859 AromaticContact CD2-CD2 3.28Å; Y1855-Y1859 HydrophobicContact CD2-CD2 3.28Å; Y1855-Y1859 AromaticContact CD2-CE2 3.67Å; Y1855-Y1859 HydrophobicContact CD2-CE2 3.67Å; Y1855-Y1859 HydrophobicContact CD2-CG 4.31Å; Y1855-Y1859 AromaticContact CE2-CD2 3.17Å; Y1855-Y1859 HydrophobicContact CE2-CD2 3.17Å; Y1855-Y1859 AromaticContact CE2-CE2 3.62Å; Y1855-Y1859 HydrophobicContact CE2-CE2 3.62Å; Y1855-Y1859 AromaticContact CE2-CG 3.85Å; Y1855-Y1859 HydrophobicContact CE2-CG 3.85Å; Y1855-Y1859 HydrophobicContact CG-CD2 4.07Å; Y1855-Y1859 AromaticContact CZ-CD2 3.89Å; Y1855-Y1859 WeakPolarHBondContact O-CD2 3.4Å; Y1855-Y1859 PolarHBondContact O-N 3.12Å; Y1855-S1862 PolarHBondContact OH-O 2.78Å; Y1855-Q1863 WeakPolarHBondContact OH-CA 3.3Å; Y1855-Q1863 PolarHBondContact OH-O 2.73Å; Y1855-Q1865 HydrophobicContact CE2-CB 4.17Å; Y1855-Q1865 PolarHBondContact OH-N 2.93Å; Y1855-L1866 HydrophobicContact CD1-CD1 4.17Å; Y1855-L1866 HydrophobicContact CD2-CD1 3.49Å; Y1855-L1866 VanDerWaalsContact CD2-CD1 3.49Å; Y1855-L1866 HydrophobicContact CE1-CB 4.22Å; Y1855-L1866 HydrophobicContact CE1-CD1 4.27Å; Y1855-L1866 HydrophobicContact CE2-CB 3.92Å; Y1855-L1866 HydrophobicContact CE2-CD1 3.6Å; Y1855-L1866 HydrophobicContact CE2-CG 4.38Å; Y1855-L1866 HydrophobicContact CG-CD1 3.8Å; Y1855-L1866 PolarHBondContact OH-N 3.36Å; Y1855-V1871 HydrophobicContact CD2-CG1 4.12Å; Y1855-V1871 HydrophobicContact CE2-CG1 3.98Å; Y1855-L1875 HydrophobicContact CD2-CD1 3.9Å; Y1855-L1875 HydrophobicContact CG-CD1 4.26Å; Y1855-Y1897 AromaticContact CD1-CD2 3.78Å; Y1855-Y1897 HydrophobicContact CD1-CD2 3.78Å; Y1855-Y1897 AromaticContact CD1-CE2 3.55Å; Y1855-Y1897 HydrophobicContact CD1-CE2 3.55Å; Y1855-Y1897 HydrophobicContact CE1-CD2 4.43Å; Y1855-Y1897 AromaticContact CE1-CE2 3.92Å; Y1855-Y1897 HydrophobicContact CE1-CE2 3.92Å |
| 1856 | R | 90.7 | Very high | 87.6 | Confident | 20 Ų | 20 | 36.8 Ų | 36.8 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.6 | -36.5 | 178.6 | -163 | 178.9 | -72.7 | -165.9 | 9.1 | 112.5 | A1852 L1853 I1854 G1860 Y1897 G1900 C1901 L1903 A1908 | A1852-R1856 PolarHBondContact O-N 3.49Å; L1853-R1856 PolarHBondContact O-N 3.11Å; I1854-R1856 PolarHBondContact O-N 2.83Å; R1856-G1860 VanDerWaalsContact O-CA 3.23Å; R1856-G1860 WeakPolarHBondContact O-CA 3.46Å; R1856-G1860 PolarHBondContact O-N 3.31Å; R1856-Y1897 HydrophobicContact CB-CD2 4.17Å; R1856-Y1897 HydrophobicContact CB-CE2 3.83Å; R1856-Y1897 HydrophobicContact CG-CE2 3.99Å; R1856-Y1897 PolarHBondContact NH2-O 3.26Å; R1856-G1900 PolarHBondContact NH2-O 3.06Å; R1856-C1901 PolarHBondContact NH1-O 3.43Å; R1856-L1903 WeakPolarHBondContact CD-O 3.45Å; R1856-A1908 HydrophobicContact CB-CB 4.3Å |
| 1857 | A | 90.4 | Very high | 86.7 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 5% | 0.05 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1828 L1853 I1854 Y1855 R1905 A1908 K1909 | Y1828-A1857 HydrophobicContact CE1-CB 4.45Å; Y1828-A1857 HydrophobicContact CE2-CB 4.5Å; Y1828-A1857 WeakPolarHBondContact OH-CB 3.47Å; L1853-A1857 WeakPolarHBondContact O-CB 3.29Å; L1853-A1857 PolarHBondContact O-N 3.25Å; I1854-A1857 PolarHBondContact O-N 3.45Å; Y1855-A1857 PolarHBondContact O-N 2.68Å; A1857-R1905 PolarHBondContact O-NE 3.49Å; A1857-A1908 HydrophobicContact CB-CB 4.19Å; A1857-K1909 HydrophobicContact CB-CG 3.86Å |
| 1858 | S | 89.3 | Confident | 85.8 | Confident | 51 Ų | 51 | 40.2 Ų | 40.2 | 36% | 0.357 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.1 | -33.5 | -176.8 | -67.4 | 0 | 0 | 0 | 0 | 114.3 | I1854 Y1855 R1905 | I1854-S1858 WeakPolarHBondContact O-CB 3.42Å; I1854-S1858 PolarHBondContact O-N 2.87Å; I1854-S1858 PolarHBondContact O-OG 3.11Å; I1854-S1858 VanDerWaalsContact O-OG 3.13Å; Y1855-S1858 PolarHBondContact O-N 3.23Å; S1858-R1905 PolarHBondContact O-NH2 2.75Å |
| 1859 | Y | 87.8 | Confident | 84.9 | Confident | 69 Ų | 69 | 42.8 Ų | 42.8 | 27% | 0.271 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -126.3 | -4.8 | -171.8 | -58.4 | -77.2 | 0 | 0 | 0 | 115.6 | Y1855 Q1865 V1871 | Y1855-Y1859 AromaticContact CD2-CD2 3.28Å; Y1855-Y1859 HydrophobicContact CD2-CD2 3.28Å; Y1855-Y1859 AromaticContact CD2-CE2 3.67Å; Y1855-Y1859 HydrophobicContact CD2-CE2 3.67Å; Y1855-Y1859 HydrophobicContact CD2-CG 4.31Å; Y1855-Y1859 AromaticContact CE2-CD2 3.17Å; Y1855-Y1859 HydrophobicContact CE2-CD2 3.17Å; Y1855-Y1859 AromaticContact CE2-CE2 3.62Å; Y1855-Y1859 HydrophobicContact CE2-CE2 3.62Å; Y1855-Y1859 AromaticContact CE2-CG 3.85Å; Y1855-Y1859 HydrophobicContact CE2-CG 3.85Å; Y1855-Y1859 HydrophobicContact CG-CD2 4.07Å; Y1855-Y1859 AromaticContact CZ-CD2 3.89Å; Y1855-Y1859 WeakPolarHBondContact O-CD2 3.4Å; Y1855-Y1859 PolarHBondContact O-N 3.12Å; Y1859-Q1865 HydrophobicContact CD1-CB 3.91Å; Y1859-Q1865 HydrophobicContact CD1-CG 3.68Å; Y1859-Q1865 HydrophobicContact CE1-CB 3.84Å; Y1859-Q1865 HydrophobicContact CE1-CG 3.66Å; Y1859-Q1865 HydrophobicContact CG-CB 4.28Å; Y1859-Q1865 HydrophobicContact CG-CG 4.47Å; Y1859-V1871 HydrophobicContact CE2-CG1 3.82Å |
| 1860 | G | 85.2 | Confident | 84.1 | Confident | 5 Ų | 5 | 42 Ų | 42 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | -141.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1856 S1862 Y1897 | R1856-G1860 VanDerWaalsContact O-CA 3.23Å; R1856-G1860 WeakPolarHBondContact O-CA 3.46Å; R1856-G1860 PolarHBondContact O-N 3.31Å; G1860-S1862 VanDerWaalsContact C-N 3.28Å; G1860-S1862 PolarHBondContact O-N 2.81Å; G1860-Y1897 PolarHBondContact O-OH 2.87Å |
| 1861 | D | 80.6 | Confident | 83.6 | Confident | 116 Ų | 116 | 42.3 Ų | 42.3 | 62% | 0.62 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 0.7 | -176.8 | -52.6 | -66.7 | 0 | 0 | 0 | 114 | Y1897 | D1861-Y1897 WeakPolarHBondContact CA-OH 3.43Å; D1861-Y1897 PolarHBondContact O-OH 2.77Å; D1861-Y1897 VanDerWaalsContact O-OH 3.08Å |
| 1862 | S | 76.9 | Confident | 83.2 | Confident | 59 Ų | 59 | 42.4 Ų | 42.4 | 41% | 0.413 | 25% | 0.254 | S | S | . | . | trans | -82.3 | 119.1 | -178.2 | -175.9 | 0 | 0 | 0 | 0 | 112.7 | Y1855 G1860 S1864 | Y1855-S1862 PolarHBondContact OH-O 2.78Å; G1860-S1862 VanDerWaalsContact C-N 3.28Å; G1860-S1862 PolarHBondContact O-N 2.81Å; S1862-S1864 PolarHBondContact OG-OG 2.78Å | ||
| 1863 | Q | 79.8 | Confident | 82.8 | Confident | 83 Ų | 83 | 43.1 Ų | 43.1 | 39% | 0.388 | 26% | 0.262 | S | S | . | . | trans | -88 | -7.4 | 177.6 | -72.1 | -164.5 | -33.1 | 0 | 0 | 115.7 | Y1855 Q1865 L1866 Y1897 N1898 | Y1855-Q1863 WeakPolarHBondContact OH-CA 3.3Å; Y1855-Q1863 PolarHBondContact OH-O 2.73Å; Q1863-Q1865 PolarHBondContact O-N 3.42Å; Q1863-Q1865 VanDerWaalsContact O-N 3.15Å; Q1863-L1866 PolarHBondContact O-N 3.08Å; Q1863-L1866 VanDerWaalsContact O-N 3.13Å; Q1863-Y1897 HydrophobicContact CG-CD1 4.31Å; Q1863-Y1897 HydrophobicContact CG-CE1 3.62Å; Q1863-Y1897 VanDerWaalsContact NE2-CE1 3.29Å; Q1863-N1898 PolarHBondContact NE2-OD1 3.06Å | ||
| 1864 | S | 76 | Confident | 82.4 | Confident | 74 Ų | 74 | 45.3 Ų | 45.3 | 52% | 0.517 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -58.8 | -34.9 | -170.8 | 59.2 | 0 | 0 | 0 | 0 | 113.1 | S1862 T1867 | S1862-S1864 PolarHBondContact OG-OG 2.78Å; S1864-T1867 WeakPolarHBondContact O-CB 3.38Å; S1864-T1867 WeakPolarHBondContact O-CG2 3.31Å; S1864-T1867 PolarHBondContact O-N 2.92Å; S1864-T1867 PolarHBondContact O-OG1 3.22Å |
| 1865 | Q | 77.4 | Confident | 82.3 | Confident | 88 Ų | 88 | 45.2 Ų | 45.2 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -73.8 | -26.8 | -178.5 | -66.7 | -71.5 | -4.8 | 0 | 0 | 113.8 | Y1855 Y1859 Q1863 T1867 S1868 | Y1855-Q1865 HydrophobicContact CE2-CB 4.17Å; Y1855-Q1865 PolarHBondContact OH-N 2.93Å; Y1859-Q1865 HydrophobicContact CD1-CB 3.91Å; Y1859-Q1865 HydrophobicContact CD1-CG 3.68Å; Y1859-Q1865 HydrophobicContact CE1-CB 3.84Å; Y1859-Q1865 HydrophobicContact CE1-CG 3.66Å; Y1859-Q1865 HydrophobicContact CG-CB 4.28Å; Y1859-Q1865 HydrophobicContact CG-CG 4.47Å; Q1863-Q1865 PolarHBondContact O-N 3.42Å; Q1863-Q1865 VanDerWaalsContact O-N 3.15Å; Q1865-T1867 PolarHBondContact O-N 3.16Å; Q1865-S1868 PolarHBondContact O-N 2.9Å; Q1865-S1868 VanDerWaalsContact O-N 3.11Å |
| 1866 | L | 77.2 | Confident | 82.3 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -69.2 | -4.1 | 177.3 | -152.3 | 77.7 | 0 | 0 | 0 | 112.4 | Y1855 Q1863 S1868 V1872 L1875 K1890 I1893 S1894 | Y1855-L1866 HydrophobicContact CD1-CD1 4.17Å; Y1855-L1866 HydrophobicContact CD2-CD1 3.49Å; Y1855-L1866 VanDerWaalsContact CD2-CD1 3.49Å; Y1855-L1866 HydrophobicContact CE1-CB 4.22Å; Y1855-L1866 HydrophobicContact CE1-CD1 4.27Å; Y1855-L1866 HydrophobicContact CE2-CB 3.92Å; Y1855-L1866 HydrophobicContact CE2-CD1 3.6Å; Y1855-L1866 HydrophobicContact CE2-CG 4.38Å; Y1855-L1866 HydrophobicContact CG-CD1 3.8Å; Y1855-L1866 PolarHBondContact OH-N 3.36Å; Q1863-L1866 PolarHBondContact O-N 3.08Å; Q1863-L1866 VanDerWaalsContact O-N 3.13Å; L1866-S1868 VanDerWaalsContact C-N 3.3Å; L1866-V1872 HydrophobicContact CD1-CG2 4.43Å; L1866-L1875 HydrophobicContact CD1-CD1 3.86Å; L1866-K1890 HydrophobicContact CG-CG 4.5Å; L1866-K1890 WeakPolarHBondContact O-CD 3.42Å; L1866-K1890 WeakPolarHBondContact O-CE 3.28Å; L1866-I1893 HydrophobicContact CD1-CG2 4.11Å; L1866-I1893 HydrophobicContact CD2-CG2 4.18Å; L1866-S1894 VanDerWaalsContact CD2-OG 3.27Å; L1866-S1894 WeakPolarHBondContact CD2-OG 3.34Å |
| 1867 | T | 73.2 | Confident | 82.2 | Confident | 99 Ų | 99 | 44.4 Ų | 44.4 | 61% | 0.607 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -67.3 | -31.7 | 169.8 | 60.8 | 0 | 0 | 0 | 0 | 112.6 | S1864 Q1865 K1890 | S1864-T1867 WeakPolarHBondContact O-CB 3.38Å; S1864-T1867 WeakPolarHBondContact O-CG2 3.31Å; S1864-T1867 PolarHBondContact O-N 2.92Å; S1864-T1867 PolarHBondContact O-OG1 3.22Å; Q1865-T1867 PolarHBondContact O-N 3.16Å; T1867-K1890 PolarHBondContact O-NZ 2.84Å |
| 1868 | S | 74.3 | Confident | 82.1 | Confident | 41 Ų | 41 | 50.2 Ų | 50.2 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | trans | -78.8 | 130.6 | -174.7 | -176.2 | 0 | 0 | 0 | 0 | 113.1 | Q1865 L1866 S1870 V1871 V1872 | Q1865-S1868 PolarHBondContact O-N 2.9Å; Q1865-S1868 VanDerWaalsContact O-N 3.11Å; L1866-S1868 VanDerWaalsContact C-N 3.3Å; S1868-S1870 PolarHBondContact O-N 3.02Å; S1868-S1870 PolarHBondContact OG-N 3.36Å; S1868-S1870 PolarHBondContact OG-OG 2.79Å; S1868-V1871 PolarHBondContact O-N 3.44Å; S1868-V1872 PolarHBondContact O-N 3.03Å | ||
| 1869 | A | 74.6 | Confident | 81.9 | Confident | 62 Ų | 62 | 51 Ų | 51 | 51% | 0.512 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.8 | -28.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1873 L1886 | A1869-G1873 PolarHBondContact O-N 3.17Å; A1869-L1886 HydrophobicContact CB-CD1 4.4Å |
| 1870 | S | 77 | Confident | 81.9 | Confident | 75 Ų | 75 | 48.7 Ų | 48.7 | 52% | 0.524 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | 176.1 | 59.6 | 0 | 0 | 0 | 0 | 111.9 | S1868 V1872 G1873 E1874 | S1868-S1870 PolarHBondContact O-N 3.02Å; S1868-S1870 PolarHBondContact OG-N 3.36Å; S1868-S1870 PolarHBondContact OG-OG 2.79Å; S1870-V1872 VanDerWaalsContact C-N 3.34Å; S1870-V1872 PolarHBondContact O-N 3.03Å; S1870-G1873 CarbonylContact O-C 3.24Å; S1870-G1873 WeakPolarHBondContact O-CA 3.42Å; S1870-G1873 PolarHBondContact O-N 2.67Å; S1870-E1874 PolarHBondContact O-N 3.07Å |
| 1871 | V | 83.6 | Confident | 82 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 179.5 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | Y1855 Y1859 S1868 G1873 E1874 L1875 | Y1855-V1871 HydrophobicContact CD2-CG1 4.12Å; Y1855-V1871 HydrophobicContact CE2-CG1 3.98Å; Y1859-V1871 HydrophobicContact CE2-CG1 3.82Å; S1868-V1871 PolarHBondContact O-N 3.44Å; V1871-G1873 VanDerWaalsContact C-N 3.26Å; V1871-G1873 PolarHBondContact O-N 2.97Å; V1871-E1874 PolarHBondContact O-N 3.46Å; V1871-E1874 VanDerWaalsContact O-N 3.11Å; V1871-L1875 HydrophobicContact CG1-CD1 4.42Å; V1871-L1875 VanDerWaalsContact O-CG 3.32Å; V1871-L1875 WeakPolarHBondContact O-CG 3.28Å; V1871-L1875 PolarHBondContact O-N 3.05Å |
| 1872 | V | 83.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -35.5 | 175.9 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | L1866 S1868 S1870 L1875 L1886 W1889 K1890 I1893 | L1866-V1872 HydrophobicContact CD1-CG2 4.43Å; S1868-V1872 PolarHBondContact O-N 3.03Å; S1870-V1872 VanDerWaalsContact C-N 3.34Å; S1870-V1872 PolarHBondContact O-N 3.03Å; V1872-L1875 PolarHBondContact O-N 3.26Å; V1872-L1886 HydrophobicContact CB-CD2 4.28Å; V1872-L1886 HydrophobicContact CG1-CD2 3.91Å; V1872-W1889 HydrophobicContact CG1-CB 3.87Å; V1872-K1890 HydrophobicContact CG2-CB 4.03Å; V1872-K1890 HydrophobicContact CG2-CG 4.33Å; V1872-I1893 HydrophobicContact CG1-CD1 4.29Å |
| 1873 | G | 83.4 | Confident | 82.5 | Confident | 22 Ų | 22 | 55 Ų | 55 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.4 | -26.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1869 S1870 V1871 L1875 | A1869-G1873 PolarHBondContact O-N 3.17Å; S1870-G1873 CarbonylContact O-C 3.24Å; S1870-G1873 WeakPolarHBondContact O-CA 3.42Å; S1870-G1873 PolarHBondContact O-N 2.67Å; V1871-G1873 VanDerWaalsContact C-N 3.26Å; V1871-G1873 PolarHBondContact O-N 2.97Å; G1873-L1875 VanDerWaalsContact C-N 3.33Å |
| 1874 | E | 85.6 | Confident | 82.8 | Confident | 63 Ų | 63 | 54.5 Ų | 54.5 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -2.8 | 175.3 | -69.8 | -173 | 139.9 | 0 | 0 | 113.5 | S1755 I1757 L1836 S1870 V1871 | S1755-E1874 PolarHBondContact OG-OE1 2.87Å; I1757-E1874 HydrophobicContact CD1-CB 4.47Å; L1836-E1874 WeakPolarHBondContact CD1-O 3.37Å; L1836-E1874 VanDerWaalsContact CD2-O 3.3Å; L1836-E1874 WeakPolarHBondContact CD2-O 3.28Å; S1870-E1874 PolarHBondContact O-N 3.07Å; V1871-E1874 PolarHBondContact O-N 3.46Å; V1871-E1874 VanDerWaalsContact O-N 3.11Å |
| 1875 | L | 90.2 | Very high | 83.2 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -17.2 | 178.2 | -63.7 | 169.8 | 0 | 0 | 0 | 114.6 | L1836 A1851 I1854 Y1855 L1866 V1871 V1872 G1873 I1893 | L1836-L1875 VanDerWaalsContact CD2-C 3.47Å; A1851-L1875 HydrophobicContact CB-CB 3.93Å; I1854-L1875 HydrophobicContact CB-CD2 3.9Å; I1854-L1875 HydrophobicContact CG2-CD2 3.54Å; Y1855-L1875 HydrophobicContact CD2-CD1 3.9Å; Y1855-L1875 HydrophobicContact CG-CD1 4.26Å; L1866-L1875 HydrophobicContact CD1-CD1 3.86Å; V1871-L1875 HydrophobicContact CG1-CD1 4.42Å; V1871-L1875 VanDerWaalsContact O-CG 3.32Å; V1871-L1875 WeakPolarHBondContact O-CG 3.28Å; V1871-L1875 PolarHBondContact O-N 3.05Å; V1872-L1875 PolarHBondContact O-N 3.26Å; G1873-L1875 VanDerWaalsContact C-N 3.33Å; L1875-I1893 HydrophobicContact CD1-CD1 4.44Å |
| 1876 | I | 90.8 | Very high | 83.6 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -110.7 | 138.6 | -170.6 | -68.3 | -66.1 | 0 | 0 | 0 | 110.7 | A1851 L1880 L1881 W1889 I1893 | A1851-I1876 HydrophobicContact CB-CD1 3.83Å; I1876-L1880 HydrophobicContact CG2-CB 4.24Å; I1876-L1881 HydrophobicContact CB-CG 4.37Å; I1876-L1881 HydrophobicContact CG2-CB 4.37Å; I1876-L1881 HydrophobicContact CG2-CG 4.06Å; I1876-W1889 HydrophobicContact CD1-CD2 3.85Å; I1876-W1889 HydrophobicContact CD1-CE3 3.46Å; I1876-W1889 VanDerWaalsContact CD1-CE3 3.46Å; I1876-W1889 HydrophobicContact CD1-CH2 4.27Å; I1876-W1889 HydrophobicContact CD1-CZ3 3.69Å; I1876-W1889 HydrophobicContact CG1-CD2 4.04Å; I1876-W1889 HydrophobicContact CG1-CE3 4.17Å; I1876-W1889 HydrophobicContact CG1-CG 4.25Å; I1876-W1889 HydrophobicContact CG2-CD2 4.41Å; I1876-W1889 HydrophobicContact CG2-CZ2 4.1Å; I1876-I1893 HydrophobicContact CD1-CD1 4.19Å; I1876-I1893 HydrophobicContact CG1-CD1 4.33Å |
| 1877 | P | 89.7 | Confident | 83.9 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | trans | -56.5 | 136.9 | 176.7 | -29.2 | 38.1 | 0 | 0 | 0 | 113.4 | Y1835 L1836 N1879 L1880 L1881 | Y1835-P1877 HydrophobicContact CD1-CG 4.46Å; Y1835-P1877 HydrophobicContact CD2-CG 3.95Å; Y1835-P1877 HydrophobicContact CE1-CG 4.03Å; Y1835-P1877 HydrophobicContact CE2-CG 3.49Å; Y1835-P1877 VanDerWaalsContact CE2-CG 3.49Å; Y1835-P1877 HydrophobicContact CG-CG 4.42Å; Y1835-P1877 WeakPolarHBondContact O-CB 3.5Å; Y1835-P1877 WeakPolarHBondContact O-CG 3.05Å; Y1835-P1877 WeakPolarHBondContact OH-CD 3.49Å; L1836-P1877 WeakPolarHBondContact O-CA 3.43Å; P1877-N1879 WeakPolarHBondContact CB-OD1 3.13Å; P1877-N1879 PolarHBondContact O-N 2.99Å; P1877-N1879 VanDerWaalsContact O-N 3.09Å; P1877-L1880 HydrophobicContact CB-CB 4.35Å; P1877-L1880 HydrophobicContact CB-CD1 4.36Å; P1877-L1880 HydrophobicContact CB-CG 4.38Å; P1877-L1880 HydrophobicContact CG-CD1 4.19Å; P1877-L1880 CarbonylContact O-C 3.6Å; P1877-L1880 WeakPolarHBondContact O-CA 3.47Å; P1877-L1880 PolarHBondContact O-N 3.09Å; P1877-L1881 PolarHBondContact O-N 3.3Å | ||
| 1878 | Q | 87.8 | Confident | 84.7 | Confident | 127 Ų | 127 | 54.3 Ų | 54.3 | 59% | 0.593 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -29 | -176.3 | -76 | -173.6 | -12.3 | 0 | 0 | 114.7 | L1836 | L1836-Q1878 PolarHBondContact O-N 2.89Š|
| 1879 | N | 84.4 | Confident | 85.6 | Confident | 67 Ų | 67 | 52.4 Ų | 52.4 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -28.7 | 174.1 | 61 | -25.7 | 0 | 0 | 0 | 113.5 | G1838 P1877 | G1838-N1879 WeakPolarHBondContact CA-OD1 3.33Å; P1877-N1879 WeakPolarHBondContact CB-OD1 3.13Å; P1877-N1879 PolarHBondContact O-N 2.99Å; P1877-N1879 VanDerWaalsContact O-N 3.09Å |
| 1880 | L | 88.7 | Confident | 86.3 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -15.8 | 177.9 | -64.6 | 179.2 | 0 | 0 | 0 | 113.5 | C1842 A1847 I1876 P1877 K1882 T1883 W1889 | C1842-L1880 HydrophobicContact CB-CD1 4.42Å; A1847-L1880 HydrophobicContact CB-CD1 3.69Å; I1876-L1880 HydrophobicContact CG2-CB 4.24Å; P1877-L1880 HydrophobicContact CB-CB 4.35Å; P1877-L1880 HydrophobicContact CB-CD1 4.36Å; P1877-L1880 HydrophobicContact CB-CG 4.38Å; P1877-L1880 HydrophobicContact CG-CD1 4.19Å; P1877-L1880 CarbonylContact O-C 3.6Å; P1877-L1880 WeakPolarHBondContact O-CA 3.47Å; P1877-L1880 PolarHBondContact O-N 3.09Å; L1880-K1882 PolarHBondContact O-N 3.36Å; L1880-T1883 WeakPolarHBondContact CA-OG1 3.4Å; L1880-T1883 PolarHBondContact O-N 3.31Å; L1880-T1883 PolarHBondContact O-OG1 2.97Å; L1880-W1889 HydrophobicContact CB-CH2 4.48Å; L1880-W1889 HydrophobicContact CB-CZ2 4.17Å; L1880-W1889 WeakPolarHBondContact O-CZ2 3.46Å |
| 1881 | L | 86 | Confident | 86.9 | Confident | 52 Ų | 52 | 56.4 Ų | 56.4 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -24.7 | -178.3 | -122.9 | 167.8 | 0 | 0 | 0 | 113.9 | I1876 P1877 L1886 | I1876-L1881 HydrophobicContact CB-CG 4.37Å; I1876-L1881 HydrophobicContact CG2-CB 4.37Å; I1876-L1881 HydrophobicContact CG2-CG 4.06Å; P1877-L1881 PolarHBondContact O-N 3.3Å; L1881-L1886 HydrophobicContact CD2-CD2 3.84Å |
| 1882 | K | 84.8 | Confident | 87.2 | Confident | 199 Ų | 199 | 59 Ų | 59 | 87% | 0.865 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -12 | 176.4 | -65.4 | -175.4 | 179.4 | -179.8 | 0 | 114.9 | L1880 F1884 | L1880-K1882 PolarHBondContact O-N 3.36Å; K1882-F1884 PolarHBondContact O-N 2.97Å |
| 1883 | T | 85.1 | Confident | 87.6 | Confident | 60 Ų | 60 | 58.9 Ų | 58.9 | 37% | 0.368 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -87.7 | -1.9 | -168.1 | -14.2 | 0 | 0 | 0 | 0 | 115 | K1844 L1880 | K1844-T1883 VanDerWaalsContact CE-CG2 3.47Å; K1844-T1883 PolarHBondContact NZ-O 2.91Å; L1880-T1883 WeakPolarHBondContact CA-OG1 3.4Å; L1880-T1883 PolarHBondContact O-N 3.31Å; L1880-T1883 PolarHBondContact O-OG1 2.97Å |
| 1884 | F | 85.5 | Confident | 87.9 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 33% | 0.325 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -151 | 160.5 | 164.6 | -71.7 | -47.8 | 0 | 0 | 0 | 108.9 | K1844 K1882 E1888 W1889 | K1844-F1884 HydrophobicContact CB-CE2 4.48Å; K1844-F1884 HydrophobicContact CD-CD2 4.23Å; K1844-F1884 HydrophobicContact CD-CE1 4.49Å; K1844-F1884 HydrophobicContact CD-CE2 3.55Å; K1844-F1884 HydrophobicContact CD-CZ 3.69Å; K1882-F1884 PolarHBondContact O-N 2.97Å; F1884-E1888 HydrophobicContact CB-CB 4.35Å; F1884-E1888 HydrophobicContact CB-CG 4.33Å; F1884-E1888 HydrophobicContact CD1-CG 4.32Å; F1884-E1888 HydrophobicContact CG-CG 4.2Å; F1884-W1889 HydrophobicContact CB-CD2 4.29Å; F1884-W1889 HydrophobicContact CB-CG 4.27Å; F1884-W1889 HydrophobicContact CB-CZ2 4.5Å; F1884-W1889 HydrophobicContact CD2-CD2 4.15Å; F1884-W1889 AromaticContact CD2-CE2 3.98Å; F1884-W1889 HydrophobicContact CD2-CE3 4.27Å; F1884-W1889 HydrophobicContact CD2-CH2 4.09Å; F1884-W1889 AromaticContact CD2-CZ2 3.95Å; F1884-W1889 HydrophobicContact CD2-CZ2 3.95Å; F1884-W1889 HydrophobicContact CD2-CZ3 4.25Å; F1884-W1889 PolarHBondContact O-NE1 2.87Å |
| 1885 | A | 83.3 | Confident | 88 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 50% | 0.496 | 31% | 0.309 | S | S | . | . | trans | -67.8 | 148.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1887 E1888 W1889 | A1885-S1887 PolarHBondContact O-N 2.84Å; A1885-S1887 VanDerWaalsContact O-N 3.14Å; A1885-E1888 PolarHBondContact O-N 3.44Å; A1885-W1889 PolarHBondContact O-N 3.09Å | ||
| 1886 | L | 86.1 | Confident | 87.9 | Confident | 66 Ų | 66 | 63.2 Ų | 63.2 | 35% | 0.346 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.7 | -30.1 | 178.8 | -75.1 | 167.3 | 0 | 0 | 0 | 113.5 | A1869 V1872 L1881 K1890 | A1869-L1886 HydrophobicContact CB-CD1 4.4Å; V1872-L1886 HydrophobicContact CB-CD2 4.28Å; V1872-L1886 HydrophobicContact CG1-CD2 3.91Å; L1881-L1886 HydrophobicContact CD2-CD2 3.84Å; L1886-K1890 VanDerWaalsContact O-CB 3.28Å; L1886-K1890 WeakPolarHBondContact O-CB 3.34Å; L1886-K1890 PolarHBondContact O-N 2.91Å |
| 1887 | S | 84.1 | Confident | 87.8 | Confident | 89 Ų | 89 | 63.7 Ų | 63.7 | 62% | 0.622 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.6 | -37.3 | 173.3 | 45.6 | 0 | 0 | 0 | 0 | 113.1 | A1885 R1891 | A1885-S1887 PolarHBondContact O-N 2.84Å; A1885-S1887 VanDerWaalsContact O-N 3.14Å; S1887-R1891 PolarHBondContact O-N 2.86Å; S1887-R1891 VanDerWaalsContact O-N 3.1Å |
| 1888 | E | 89.6 | Confident | 87.6 | Confident | 46 Ų | 46 | 68.9 Ų | 68.9 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -77.2 | -42.6 | 177.4 | 178.7 | 57.6 | -165 | 0 | 0 | 111.2 | F1884 A1885 K1890 R1891 Q1892 | F1884-E1888 HydrophobicContact CB-CB 4.35Å; F1884-E1888 HydrophobicContact CB-CG 4.33Å; F1884-E1888 HydrophobicContact CD1-CG 4.32Å; F1884-E1888 HydrophobicContact CG-CG 4.2Å; A1885-E1888 PolarHBondContact O-N 3.44Å; E1888-K1890 VanDerWaalsContact C-N 3.29Å; E1888-K1890 PolarHBondContact O-N 2.89Å; E1888-R1891 VanDerWaalsContact CD-NH2 3.32Å; E1888-R1891 WeakPolarHBondContact O-CB 3.28Å; E1888-R1891 PolarHBondContact O-N 3.29Å; E1888-R1891 VanDerWaalsContact O-N 3.08Å; E1888-R1891 IonicContact OE1-CZ 3.57Å; E1888-R1891 IonicContact OE1-NE 3.96Å; E1888-R1891 IonicContact OE1-NH2 2.74Å; E1888-R1891 PolarHBondContact OE1-NH2 2.76Å; E1888-R1891 IonicContact OE2-CZ 3.33Å; E1888-R1891 IonicContact OE2-NE 2.63Å; E1888-R1891 PolarHBondContact OE2-NE 3.13Å; E1888-R1891 IonicContact OE2-NH2 3.11Å; E1888-R1891 PolarHBondContact OE2-NH2 2.94Å; E1888-R1891 VanDerWaalsContact OE2-NH2 3.11Å; E1888-Q1892 HydrophobicContact CG-CG 4.43Å; E1888-Q1892 VanDerWaalsContact O-CG 3.26Å; E1888-Q1892 WeakPolarHBondContact O-CG 3.49Å; E1888-Q1892 PolarHBondContact O-N 3.41Å; E1888-Q1892 PolarHBondContact OE1-NE2 2.96Å |
| 1889 | W | 92.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -53.2 | -48.1 | 169.6 | -79.5 | 124 | 0 | 0 | 0 | 111.2 | K1844 A1847 V1848 V1872 I1876 L1880 F1884 A1885 R1891 Q1892 I1893 | K1844-W1889 HydrophobicContact CB-CH2 4.41Å; A1847-W1889 HydrophobicContact CB-CH2 4.23Å; A1847-W1889 HydrophobicContact CB-CZ3 4.27Å; V1848-W1889 HydrophobicContact CG2-CE3 4.08Å; V1848-W1889 HydrophobicContact CG2-CZ3 3.76Å; V1872-W1889 HydrophobicContact CG1-CB 3.87Å; I1876-W1889 HydrophobicContact CD1-CD2 3.85Å; I1876-W1889 HydrophobicContact CD1-CE3 3.46Å; I1876-W1889 VanDerWaalsContact CD1-CE3 3.46Å; I1876-W1889 HydrophobicContact CD1-CH2 4.27Å; I1876-W1889 HydrophobicContact CD1-CZ3 3.69Å; I1876-W1889 HydrophobicContact CG1-CD2 4.04Å; I1876-W1889 HydrophobicContact CG1-CE3 4.17Å; I1876-W1889 HydrophobicContact CG1-CG 4.25Å; I1876-W1889 HydrophobicContact CG2-CD2 4.41Å; I1876-W1889 HydrophobicContact CG2-CZ2 4.1Å; L1880-W1889 HydrophobicContact CB-CH2 4.48Å; L1880-W1889 HydrophobicContact CB-CZ2 4.17Å; L1880-W1889 WeakPolarHBondContact O-CZ2 3.46Å; F1884-W1889 HydrophobicContact CB-CD2 4.29Å; F1884-W1889 HydrophobicContact CB-CG 4.27Å; F1884-W1889 HydrophobicContact CB-CZ2 4.5Å; F1884-W1889 HydrophobicContact CD2-CD2 4.15Å; F1884-W1889 AromaticContact CD2-CE2 3.98Å; F1884-W1889 HydrophobicContact CD2-CE3 4.27Å; F1884-W1889 HydrophobicContact CD2-CH2 4.09Å; F1884-W1889 AromaticContact CD2-CZ2 3.95Å; F1884-W1889 HydrophobicContact CD2-CZ2 3.95Å; F1884-W1889 HydrophobicContact CD2-CZ3 4.25Å; F1884-W1889 PolarHBondContact O-NE1 2.87Å; A1885-W1889 PolarHBondContact O-N 3.09Å; W1889-R1891 PolarHBondContact O-N 3.46Å; W1889-Q1892 PolarHBondContact O-N 3.46Å; W1889-I1893 WeakPolarHBondContact O-CB 3.49Å; W1889-I1893 WeakPolarHBondContact O-CD1 3.41Å; W1889-I1893 WeakPolarHBondContact O-CG1 3.47Å; W1889-I1893 PolarHBondContact O-N 3.33Å |
| 1890 | K | 89.5 | Confident | 86.1 | Confident | 73 Ų | 73 | 70.7 Ų | 70.7 | 32% | 0.317 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57 | -43.8 | 174.9 | 179.3 | 179.2 | 170.4 | -179.4 | 0 | 112.8 | L1866 T1867 V1872 L1886 E1888 S1894 | L1866-K1890 HydrophobicContact CG-CG 4.5Å; L1866-K1890 WeakPolarHBondContact O-CD 3.42Å; L1866-K1890 WeakPolarHBondContact O-CE 3.28Å; T1867-K1890 PolarHBondContact O-NZ 2.84Å; V1872-K1890 HydrophobicContact CG2-CB 4.03Å; V1872-K1890 HydrophobicContact CG2-CG 4.33Å; L1886-K1890 VanDerWaalsContact O-CB 3.28Å; L1886-K1890 WeakPolarHBondContact O-CB 3.34Å; L1886-K1890 PolarHBondContact O-N 2.91Å; E1888-K1890 VanDerWaalsContact C-N 3.29Å; E1888-K1890 PolarHBondContact O-N 2.89Å; K1890-S1894 WeakPolarHBondContact O-CB 3.27Å; K1890-S1894 PolarHBondContact O-N 2.94Å; K1890-S1894 PolarHBondContact O-OG 3.01Å |
| 1891 | R | 89.2 | Confident | 84.8 | Confident | 148 Ų | 148 | 74.4 Ų | 74.4 | 56% | 0.558 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.3 | -48.1 | 179.3 | -170.9 | 177.4 | 72.4 | 110.1 | 3 | 111.3 | S1887 E1888 W1889 M1895 | S1887-R1891 PolarHBondContact O-N 2.86Å; S1887-R1891 VanDerWaalsContact O-N 3.1Å; E1888-R1891 VanDerWaalsContact CD-NH2 3.32Å; E1888-R1891 WeakPolarHBondContact O-CB 3.28Å; E1888-R1891 PolarHBondContact O-N 3.29Å; E1888-R1891 VanDerWaalsContact O-N 3.08Å; E1888-R1891 IonicContact OE1-CZ 3.57Å; E1888-R1891 IonicContact OE1-NE 3.96Å; E1888-R1891 IonicContact OE1-NH2 2.74Å; E1888-R1891 PolarHBondContact OE1-NH2 2.76Å; E1888-R1891 IonicContact OE2-CZ 3.33Å; E1888-R1891 IonicContact OE2-NE 2.63Å; E1888-R1891 PolarHBondContact OE2-NE 3.13Å; E1888-R1891 IonicContact OE2-NH2 3.11Å; E1888-R1891 PolarHBondContact OE2-NH2 2.94Å; E1888-R1891 VanDerWaalsContact OE2-NH2 3.11Å; W1889-R1891 PolarHBondContact O-N 3.46Å; R1891-M1895 WeakPolarHBondContact O-CB 3.31Å; R1891-M1895 PolarHBondContact O-N 2.9Å; R1891-M1895 VanDerWaalsContact O-N 3.1Å |
| 1892 | Q | 91.4 | Very high | 84.1 | Confident | 61 Ų | 61 | 80 Ų | 80 | 29% | 0.285 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 177.8 | -64.8 | -79.1 | -11.2 | 0 | 0 | 111.4 | V1848 E1888 W1889 S1894 M1895 V1896 | V1848-Q1892 HydrophobicContact CB-CB 4.45Å; V1848-Q1892 VanDerWaalsContact CG1-C 3.48Å; V1848-Q1892 HydrophobicContact CG1-CB 3.79Å; V1848-Q1892 WeakPolarHBondContact CG1-O 3.3Å; V1848-Q1892 HydrophobicContact CG2-CB 3.68Å; V1848-Q1892 HydrophobicContact CG2-CG 4.39Å; E1888-Q1892 HydrophobicContact CG-CG 4.43Å; E1888-Q1892 VanDerWaalsContact O-CG 3.26Å; E1888-Q1892 WeakPolarHBondContact O-CG 3.49Å; E1888-Q1892 PolarHBondContact O-N 3.41Å; E1888-Q1892 PolarHBondContact OE1-NE2 2.96Å; W1889-Q1892 PolarHBondContact O-N 3.46Å; Q1892-S1894 PolarHBondContact O-N 3.44Å; Q1892-M1895 PolarHBondContact O-N 2.85Å; Q1892-M1895 VanDerWaalsContact O-N 3.12Å; Q1892-V1896 PolarHBondContact O-N 2.77Å; Q1892-V1896 VanDerWaalsContact O-N 3.09Å |
| 1893 | I | 91.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 179.8 | -65.5 | 162.6 | 0 | 0 | 0 | 110.8 | V1848 A1851 A1852 L1866 V1872 L1875 I1876 W1889 M1895 V1896 Y1897 | V1848-I1893 HydrophobicContact CG1-CG1 4.38Å; A1851-I1893 HydrophobicContact CB-CD1 3.79Å; A1851-I1893 HydrophobicContact CB-CG1 3.86Å; A1852-I1893 HydrophobicContact CB-CG2 4.27Å; L1866-I1893 HydrophobicContact CD1-CG2 4.11Å; L1866-I1893 HydrophobicContact CD2-CG2 4.18Å; V1872-I1893 HydrophobicContact CG1-CD1 4.29Å; L1875-I1893 HydrophobicContact CD1-CD1 4.44Å; I1876-I1893 HydrophobicContact CD1-CD1 4.19Å; I1876-I1893 HydrophobicContact CG1-CD1 4.33Å; W1889-I1893 WeakPolarHBondContact O-CB 3.49Å; W1889-I1893 WeakPolarHBondContact O-CD1 3.41Å; W1889-I1893 WeakPolarHBondContact O-CG1 3.47Å; W1889-I1893 PolarHBondContact O-N 3.33Å; I1893-M1895 VanDerWaalsContact C-N 3.28Å; I1893-M1895 PolarHBondContact O-N 2.65Å; I1893-V1896 PolarHBondContact O-N 2.92Å; I1893-Y1897 WeakPolarHBondContact O-CB 3.42Å; I1893-Y1897 PolarHBondContact O-N 3.11Å |
| 1894 | S | 89 | Confident | 84.2 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 22% | 0.217 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57.8 | -41.4 | 176 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | L1866 K1890 Q1892 N1898 | L1866-S1894 VanDerWaalsContact CD2-OG 3.27Å; L1866-S1894 WeakPolarHBondContact CD2-OG 3.34Å; K1890-S1894 WeakPolarHBondContact O-CB 3.27Å; K1890-S1894 PolarHBondContact O-N 2.94Å; K1890-S1894 PolarHBondContact O-OG 3.01Å; Q1892-S1894 PolarHBondContact O-N 3.44Å; S1894-N1898 VanDerWaalsContact O-CB 3.29Å; S1894-N1898 WeakPolarHBondContact O-CB 3.31Å; S1894-N1898 PolarHBondContact O-N 3.32Å; S1894-N1898 PolarHBondContact O-ND2 3.08Å |
| 1895 | M | 89 | Confident | 84.5 | Confident | 102 Ų | 102 | 75 Ų | 75 | 50% | 0.502 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70 | -38.5 | -176.1 | -167 | 173.3 | -176.9 | 0 | 0 | 112.6 | R1891 Q1892 I1893 R1899 | R1891-M1895 WeakPolarHBondContact O-CB 3.31Å; R1891-M1895 PolarHBondContact O-N 2.9Å; R1891-M1895 VanDerWaalsContact O-N 3.1Å; Q1892-M1895 PolarHBondContact O-N 2.85Å; Q1892-M1895 VanDerWaalsContact O-N 3.12Å; I1893-M1895 VanDerWaalsContact C-N 3.28Å; I1893-M1895 PolarHBondContact O-N 2.65Å; M1895-R1899 WeakPolarHBondContact O-CG 3.32Å; M1895-R1899 PolarHBondContact O-N 3.43Å |
| 1896 | V | 88.3 | Confident | 84.9 | Confident | 47 Ų | 47 | 74.9 Ų | 74.9 | 29% | 0.285 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -73.6 | -43.9 | 173.5 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | V1848 E1849 A1852 Q1892 I1893 N1898 R1899 G1900 | V1848-V1896 HydrophobicContact CG1-CB 4.15Å; V1848-V1896 HydrophobicContact CG1-CG2 3.59Å; E1849-V1896 HydrophobicContact CG-CG1 4.41Å; A1852-V1896 HydrophobicContact CB-CB 4.29Å; A1852-V1896 HydrophobicContact CB-CG1 4.05Å; Q1892-V1896 PolarHBondContact O-N 2.77Å; Q1892-V1896 VanDerWaalsContact O-N 3.09Å; I1893-V1896 PolarHBondContact O-N 2.92Å; V1896-N1898 VanDerWaalsContact C-N 3.27Å; V1896-N1898 PolarHBondContact O-N 3.03Å; V1896-R1899 PolarHBondContact O-N 3.36Å; V1896-G1900 PolarHBondContact O-N 3.13Å |
| 1897 | Y | 88.1 | Confident | 85.1 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 5% | 0.051 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.4 | -38.6 | 176.5 | 175.6 | -82.3 | 0 | 0 | 0 | 112.6 | Y1855 R1856 G1860 D1861 Q1863 I1893 | Y1855-Y1897 AromaticContact CD1-CD2 3.78Å; Y1855-Y1897 HydrophobicContact CD1-CD2 3.78Å; Y1855-Y1897 AromaticContact CD1-CE2 3.55Å; Y1855-Y1897 HydrophobicContact CD1-CE2 3.55Å; Y1855-Y1897 HydrophobicContact CE1-CD2 4.43Å; Y1855-Y1897 AromaticContact CE1-CE2 3.92Å; Y1855-Y1897 HydrophobicContact CE1-CE2 3.92Å; R1856-Y1897 HydrophobicContact CB-CD2 4.17Å; R1856-Y1897 HydrophobicContact CB-CE2 3.83Å; R1856-Y1897 HydrophobicContact CG-CE2 3.99Å; R1856-Y1897 PolarHBondContact NH2-O 3.26Å; G1860-Y1897 PolarHBondContact O-OH 2.87Å; D1861-Y1897 WeakPolarHBondContact CA-OH 3.43Å; D1861-Y1897 PolarHBondContact O-OH 2.77Å; D1861-Y1897 VanDerWaalsContact O-OH 3.08Å; Q1863-Y1897 HydrophobicContact CG-CD1 4.31Å; Q1863-Y1897 HydrophobicContact CG-CE1 3.62Å; Q1863-Y1897 VanDerWaalsContact NE2-CE1 3.29Å; I1893-Y1897 WeakPolarHBondContact O-CB 3.42Å; I1893-Y1897 PolarHBondContact O-N 3.11Å |
| 1898 | N | 85.1 | Confident | 85.5 | Confident | 110 Ų | 110 | 70.6 Ų | 70.6 | 59% | 0.588 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -73.8 | -21.9 | 175.9 | -75.5 | -11.8 | 0 | 0 | 0 | 113.9 | Q1863 S1894 V1896 | Q1863-N1898 PolarHBondContact NE2-OD1 3.06Å; S1894-N1898 VanDerWaalsContact O-CB 3.29Å; S1894-N1898 WeakPolarHBondContact O-CB 3.31Å; S1894-N1898 PolarHBondContact O-N 3.32Å; S1894-N1898 PolarHBondContact O-ND2 3.08Å; V1896-N1898 VanDerWaalsContact C-N 3.27Å; V1896-N1898 PolarHBondContact O-N 3.03Å |
| 1899 | R | 81.1 | Confident | 85.8 | Confident | 197 Ų | 197 | 70.3 Ų | 70.3 | 74% | 0.743 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -87.6 | -24 | 174.9 | -80.4 | 179.7 | 165.5 | -177.2 | -4.4 | 113.2 | M1895 V1896 C1901 | M1895-R1899 WeakPolarHBondContact O-CG 3.32Å; M1895-R1899 PolarHBondContact O-N 3.43Å; V1896-R1899 PolarHBondContact O-N 3.36Å; R1899-C1901 PolarHBondContact O-N 3.39Å |
| 1900 | G | 61 | Low | 85.8 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 35% | 0.351 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -66.8 | 126.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1856 V1896 | R1856-G1900 PolarHBondContact NH2-O 3.06Å; V1896-G1900 PolarHBondContact O-N 3.13Å |
| 1901 | C | 60.7 | Low | 86 | Confident | 101 Ų | 101 | 70.4 Ų | 70.4 | 68% | 0.682 | 35% | 0.351 | S | S | * | . | trans | -47.2 | 161.2 | 174.1 | -55.1 | 0 | 0 | 0 | 0 | 112.8 | R1856 R1899 L1903 | R1856-C1901 PolarHBondContact NH1-O 3.43Å; R1899-C1901 PolarHBondContact O-N 3.39Å; C1901-L1903 VanDerWaalsContact C-N 3.28Å; C1901-L1903 PolarHBondContact O-N 3.39Å | ||
| 1902 | I | 71.8 | Confident | 86.3 | Confident | 169 Ų | 169 | 63.4 Ų | 63.4 | 87% | 0.867 | 32% | 0.324 | S | S | * | . | trans | -67.4 | 84.9 | -179.8 | -51.5 | 175.8 | 0 | 0 | 0 | 110.5 | ||||
| 1903 | L | 83.6 | Confident | 86.5 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | trans | -97.3 | 129.2 | 175.1 | -68.1 | 161.5 | 0 | 0 | 0 | 108.8 | L1853 R1856 C1901 E1907 | L1853-L1903 HydrophobicContact CD2-CD1 4.42Å; R1856-L1903 WeakPolarHBondContact CD-O 3.45Å; C1901-L1903 VanDerWaalsContact C-N 3.28Å; C1901-L1903 PolarHBondContact O-N 3.39Å; L1903-E1907 HydrophobicContact CB-CB 4.27Å; L1903-E1907 HydrophobicContact CD2-CB 3.93Å | ||
| 1904 | S | 88.9 | Confident | 86.6 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | trans | -64 | 165 | 171.1 | 69 | 0 | 0 | 0 | 0 | 111.9 | D1906 E1907 A1908 | S1904-D1906 PolarHBondContact O-N 3.29Å; S1904-D1906 VanDerWaalsContact O-N 3.12Å; S1904-E1907 VanDerWaalsContact CB-OE2 3.26Å; S1904-E1907 WeakPolarHBondContact CB-OE2 3.38Å; S1904-E1907 PolarHBondContact N-OE2 3.45Å; S1904-E1907 PolarHBondContact O-N 3.38Å; S1904-E1907 VanDerWaalsContact O-N 3.11Å; S1904-E1907 PolarHBondContact OG-N 3.33Å; S1904-E1907 PolarHBondContact OG-OE2 2.62Å; S1904-A1908 PolarHBondContact O-N 2.9Å | ||
| 1905 | R | 90.1 | Very high | 86.8 | Confident | 127 Ų | 127 | 66.6 Ų | 66.6 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.8 | -30.4 | 177.6 | -65.1 | 174.7 | 80.7 | 170.3 | 2.8 | 112.8 | A1857 S1858 K1909 | A1857-R1905 PolarHBondContact O-NE 3.49Å; S1858-R1905 PolarHBondContact O-NH2 2.75Å; R1905-K1909 WeakPolarHBondContact O-CG 3.27Å |
| 1906 | D | 91.6 | Very high | 87 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 31% | 0.305 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -88.2 | -29.3 | 178.5 | -67.2 | -42 | 0 | 0 | 0 | 113.3 | I1824 S1904 A1908 K1909 I1910 | I1824-D1906 HydrophobicContact CD1-CB 3.66Å; I1824-D1906 HydrophobicContact CG1-CB 3.96Å; S1904-D1906 PolarHBondContact O-N 3.29Å; S1904-D1906 VanDerWaalsContact O-N 3.12Å; D1906-A1908 VanDerWaalsContact C-N 3.34Å; D1906-K1909 WeakPolarHBondContact O-CB 3.35Å; D1906-K1909 PolarHBondContact O-N 3.45Å; D1906-K1909 WeakPolarHBondContact OD1-CD 3.02Å; D1906-K1909 WeakPolarHBondContact OD1-CE 3.17Å; D1906-K1909 IonicContact OD1-NZ 3.54Å; D1906-K1909 PolarHBondContact OD1-NZ 3.3Å; D1906-I1910 WeakPolarHBondContact O-CD1 3.39Å; D1906-I1910 WeakPolarHBondContact O-CG1 3.27Å; D1906-I1910 PolarHBondContact O-N 3.36Å |
| 1907 | E | 91.9 | Very high | 87.2 | Confident | 66 Ų | 66 | 62 Ų | 62 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.7 | -33.6 | 168.3 | -83.9 | 131.2 | -169.1 | 0 | 0 | 112.4 | R1820 L1903 S1904 K1909 I1910 Q1911 | R1820-E1907 IonicContact CZ-OE1 2.62Å; R1820-E1907 IonicContact NH1-OE1 2.58Å; R1820-E1907 IonicContact NH2-OE1 3.34Å; R1820-E1907 PolarHBondContact NH2-OE1 3.5Å; L1903-E1907 HydrophobicContact CB-CB 4.27Å; L1903-E1907 HydrophobicContact CD2-CB 3.93Å; S1904-E1907 VanDerWaalsContact CB-OE2 3.26Å; S1904-E1907 WeakPolarHBondContact CB-OE2 3.38Å; S1904-E1907 PolarHBondContact N-OE2 3.45Å; S1904-E1907 PolarHBondContact O-N 3.38Å; S1904-E1907 VanDerWaalsContact O-N 3.11Å; S1904-E1907 PolarHBondContact OG-N 3.33Å; S1904-E1907 PolarHBondContact OG-OE2 2.62Å; E1907-K1909 VanDerWaalsContact C-N 3.31Å; E1907-K1909 PolarHBondContact O-N 2.89Å; E1907-I1910 PolarHBondContact O-N 3.16Å; E1907-Q1911 VanDerWaalsContact O-CB 3.29Å; E1907-Q1911 WeakPolarHBondContact O-CB 3.4Å; E1907-Q1911 PolarHBondContact O-N 2.95Å |
| 1908 | A | 92.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1853 R1856 A1857 S1904 D1906 Q1911 F1912 | L1853-A1908 HydrophobicContact CD2-CB 4.26Å; R1856-A1908 HydrophobicContact CB-CB 4.3Å; A1857-A1908 HydrophobicContact CB-CB 4.19Å; S1904-A1908 PolarHBondContact O-N 2.9Å; D1906-A1908 VanDerWaalsContact C-N 3.34Å; A1908-Q1911 PolarHBondContact O-N 2.74Å; A1908-F1912 WeakPolarHBondContact O-CB 3.4Å; A1908-F1912 PolarHBondContact O-N 3.22Å |
| 1909 | K | 94.7 | Very high | 87.6 | Confident | 40 Ų | 40 | 65.1 Ų | 65.1 | 17% | 0.174 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 174.7 | -63.3 | 171.8 | -165.7 | 166.8 | 0 | 112.3 | I1824 Y1828 A1857 R1905 D1906 E1907 Q1911 F1912 L1913 | I1824-K1909 HydrophobicContact CG1-CD 4.45Å; I1824-K1909 HydrophobicContact CG2-CD 4.35Å; Y1828-K1909 HydrophobicContact CD1-CB 4.18Å; Y1828-K1909 HydrophobicContact CD1-CD 3.94Å; Y1828-K1909 HydrophobicContact CD1-CG 3.65Å; Y1828-K1909 VanDerWaalsContact CD2-CA 3.47Å; Y1828-K1909 HydrophobicContact CD2-CB 3.59Å; Y1828-K1909 HydrophobicContact CD2-CG 3.78Å; Y1828-K1909 HydrophobicContact CE1-CD 4.31Å; Y1828-K1909 HydrophobicContact CE1-CG 3.8Å; Y1828-K1909 HydrophobicContact CE2-CB 4.09Å; Y1828-K1909 HydrophobicContact CE2-CG 3.91Å; Y1828-K1909 HydrophobicContact CG-CB 3.63Å; Y1828-K1909 HydrophobicContact CG-CD 4.21Å; Y1828-K1909 HydrophobicContact CG-CG 3.64Å; A1857-K1909 HydrophobicContact CB-CG 3.86Å; R1905-K1909 WeakPolarHBondContact O-CG 3.27Å; D1906-K1909 WeakPolarHBondContact O-CB 3.35Å; D1906-K1909 PolarHBondContact O-N 3.45Å; D1906-K1909 WeakPolarHBondContact OD1-CD 3.02Å; D1906-K1909 WeakPolarHBondContact OD1-CE 3.17Å; D1906-K1909 IonicContact OD1-NZ 3.54Å; D1906-K1909 PolarHBondContact OD1-NZ 3.3Å; E1907-K1909 VanDerWaalsContact C-N 3.31Å; E1907-K1909 PolarHBondContact O-N 2.89Å; K1909-Q1911 VanDerWaalsContact C-N 3.32Å; K1909-Q1911 PolarHBondContact O-N 2.71Å; K1909-F1912 PolarHBondContact O-N 3.44Å; K1909-L1913 WeakPolarHBondContact O-CG 3.29Å; K1909-L1913 PolarHBondContact O-N 2.95Å; K1909-L1913 VanDerWaalsContact O-N 3.07Å |
| 1910 | I | 94.4 | Very high | 88.1 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -37.6 | 179.5 | -66.5 | 160.2 | 0 | 0 | 0 | 110.9 | R1820 D1823 D1906 E1907 L1913 R1914 | R1820-I1910 HydrophobicContact CB-CD1 4.12Å; R1820-I1910 HydrophobicContact CG-CD1 3.78Å; D1823-I1910 HydrophobicContact CB-CG1 4.18Å; D1906-I1910 WeakPolarHBondContact O-CD1 3.39Å; D1906-I1910 WeakPolarHBondContact O-CG1 3.27Å; D1906-I1910 PolarHBondContact O-N 3.36Å; E1907-I1910 PolarHBondContact O-N 3.16Å; I1910-L1913 PolarHBondContact O-N 2.88Å; I1910-R1914 WeakPolarHBondContact O-CG 3.43Å; I1910-R1914 PolarHBondContact O-N 2.88Å |
| 1911 | Q | 93.4 | Very high | 89.6 | Confident | 69 Ų | 69 | 58 Ų | 58 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -74.3 | -34.9 | -180 | -158.1 | 70.7 | -0.4 | 0 | 0 | 112.3 | L1853 E1907 A1908 K1909 L1913 R1914 L1915 | L1853-Q1911 HydrophobicContact CD2-CB 4.24Å; E1907-Q1911 VanDerWaalsContact O-CB 3.29Å; E1907-Q1911 WeakPolarHBondContact O-CB 3.4Å; E1907-Q1911 PolarHBondContact O-N 2.95Å; A1908-Q1911 PolarHBondContact O-N 2.74Å; K1909-Q1911 VanDerWaalsContact C-N 3.32Å; K1909-Q1911 PolarHBondContact O-N 2.71Å; Q1911-L1913 VanDerWaalsContact C-N 3.33Å; Q1911-L1913 PolarHBondContact O-N 2.98Å; Q1911-R1914 PolarHBondContact O-N 3.46Å; Q1911-L1915 PolarHBondContact O-N 3.12Å |
| 1912 | F | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.9 | -46.1 | 166.9 | 172.9 | -84.2 | 0 | 0 | 0 | 111.1 | Y1828 E1831 V1832 Y1835 L1850 L1853 I1854 A1908 K1909 R1914 L1915 T1916 | Y1828-F1912 HydrophobicContact CD2-CB 4.15Å; Y1828-F1912 AromaticContact CD2-CD1 3.7Å; Y1828-F1912 HydrophobicContact CD2-CD1 3.7Å; Y1828-F1912 HydrophobicContact CD2-CE1 4.45Å; Y1828-F1912 HydrophobicContact CD2-CG 4.08Å; Y1828-F1912 HydrophobicContact CE2-CB 4Å; Y1828-F1912 AromaticContact CE2-CD1 3.92Å; Y1828-F1912 HydrophobicContact CE2-CD1 3.92Å; Y1828-F1912 AromaticContact CE2-CG 3.89Å; Y1828-F1912 HydrophobicContact CE2-CG 3.89Å; E1831-F1912 HydrophobicContact CB-CE1 4.21Å; V1832-F1912 HydrophobicContact CB-CZ 4.41Å; V1832-F1912 HydrophobicContact CG2-CD1 4.05Å; V1832-F1912 HydrophobicContact CG2-CE1 3.56Å; V1832-F1912 HydrophobicContact CG2-CE2 4.1Å; V1832-F1912 HydrophobicContact CG2-CZ 3.6Å; Y1835-F1912 HydrophobicContact CD1-CE2 4.19Å; Y1835-F1912 HydrophobicContact CD1-CZ 4.39Å; Y1835-F1912 HydrophobicContact CG-CE2 4.28Å; Y1835-F1912 HydrophobicContact CG-CZ 4.22Å; L1850-F1912 HydrophobicContact CB-CD2 4.18Å; L1850-F1912 HydrophobicContact CB-CE2 4.1Å; L1850-F1912 HydrophobicContact CD2-CD2 3.51Å; L1850-F1912 HydrophobicContact CD2-CE2 3.8Å; L1850-F1912 HydrophobicContact CD2-CG 4.25Å; L1850-F1912 HydrophobicContact CG-CD2 4.41Å; L1850-F1912 HydrophobicContact CG-CE2 4.39Å; L1853-F1912 HydrophobicContact CB-CB 4.36Å; L1853-F1912 HydrophobicContact CD1-CB 4.46Å; I1854-F1912 HydrophobicContact CD1-CD2 4.21Å; I1854-F1912 HydrophobicContact CD1-CE2 3.73Å; I1854-F1912 HydrophobicContact CG1-CD2 3.88Å; I1854-F1912 HydrophobicContact CG1-CE2 3.89Å; A1908-F1912 WeakPolarHBondContact O-CB 3.4Å; A1908-F1912 PolarHBondContact O-N 3.22Å; K1909-F1912 PolarHBondContact O-N 3.44Å; F1912-R1914 PolarHBondContact O-N 3.07Å; F1912-L1915 PolarHBondContact O-N 3.18Å; F1912-T1916 HydrophobicContact CD1-CG2 4.3Å; F1912-T1916 HydrophobicContact CE1-CG2 3.84Å; F1912-T1916 HydrophobicContact CE2-CG2 4.12Å; F1912-T1916 HydrophobicContact CZ-CG2 3.73Å; F1912-T1916 WeakPolarHBondContact O-CG2 3.25Å; F1912-T1916 PolarHBondContact O-N 3.24Å; F1912-T1916 PolarHBondContact O-OG1 2.95Å |
| 1913 | L | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 176.2 | -72.2 | 169 | 0 | 0 | 0 | 112.4 | A1816 D1823 H1827 E1831 K1909 I1910 Q1911 T1916 S1917 F1922 | A1816-L1913 HydrophobicContact CB-CB 3.66Å; D1823-L1913 HydrophobicContact CB-CD1 3.69Å; H1827-L1913 HydrophobicContact CB-CD1 3.83Å; H1827-L1913 HydrophobicContact CB-CD2 3.98Å; E1831-L1913 HydrophobicContact CB-CD2 4.41Å; E1831-L1913 HydrophobicContact CG-CD2 4.36Å; K1909-L1913 WeakPolarHBondContact O-CG 3.29Å; K1909-L1913 PolarHBondContact O-N 2.95Å; K1909-L1913 VanDerWaalsContact O-N 3.07Å; I1910-L1913 PolarHBondContact O-N 2.88Å; Q1911-L1913 VanDerWaalsContact C-N 3.33Å; Q1911-L1913 PolarHBondContact O-N 2.98Å; L1913-T1916 WeakPolarHBondContact CA-OG1 3.48Å; L1913-T1916 PolarHBondContact O-OG1 3.43Å; L1913-S1917 WeakPolarHBondContact O-CB 3.39Å; L1913-S1917 PolarHBondContact O-N 2.85Å; L1913-S1917 PolarHBondContact O-OG 3.1Å; L1913-S1917 VanDerWaalsContact O-OG 3.14Å; L1913-F1922 HydrophobicContact CD2-CE2 4.01Å; L1913-F1922 HydrophobicContact CD2-CZ 4.17Å |
| 1914 | R | 94 | Very high | 92.4 | Very high | 121 Ų | 121 | 43.9 Ų | 43.9 | 46% | 0.457 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.7 | -39.2 | 175.9 | -77.2 | 177.7 | -179.1 | 158.9 | -8.3 | 113.4 | A1816 I1910 Q1911 F1912 S1917 | A1816-R1914 HydrophobicContact CB-CB 4.41Å; A1816-R1914 HydrophobicContact CB-CG 3.6Å; A1816-R1914 PolarHBondContact O-NE 3.44Å; I1910-R1914 WeakPolarHBondContact O-CG 3.43Å; I1910-R1914 PolarHBondContact O-N 2.88Å; Q1911-R1914 PolarHBondContact O-N 3.46Å; F1912-R1914 PolarHBondContact O-N 3.07Å; R1914-S1917 PolarHBondContact O-OG 3.3Å |
| 1915 | L | 93.1 | Very high | 92.5 | Very high | 39 Ų | 39 | 42.8 Ų | 42.8 | 20% | 0.204 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66 | -55.6 | 174.7 | -73.1 | 171.4 | 0 | 0 | 0 | 110.7 | E1849 L1850 L1853 Q1911 F1912 S1917 K1918 | E1849-L1915 HydrophobicContact CG-CD1 4.16Å; L1850-L1915 HydrophobicContact CD2-CB 3.86Å; L1850-L1915 HydrophobicContact CD2-CD1 3.83Å; L1853-L1915 HydrophobicContact CD1-CD1 3.64Å; Q1911-L1915 PolarHBondContact O-N 3.12Å; F1912-L1915 PolarHBondContact O-N 3.18Å; L1915-S1917 VanDerWaalsContact C-N 3.3Å; L1915-S1917 PolarHBondContact O-N 2.7Å; L1915-K1918 WeakPolarHBondContact O-CB 3.44Å; L1915-K1918 WeakPolarHBondContact O-CG 3.32Å; L1915-K1918 PolarHBondContact O-N 3.45Å |
| 1916 | T | 93.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -29.7 | -177.5 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | L1850 F1912 L1913 K1918 W1919 | L1850-T1916 HydrophobicContact CD1-CG2 4.27Å; L1850-T1916 HydrophobicContact CD2-CG2 3.99Å; F1912-T1916 HydrophobicContact CD1-CG2 4.3Å; F1912-T1916 HydrophobicContact CE1-CG2 3.84Å; F1912-T1916 HydrophobicContact CE2-CG2 4.12Å; F1912-T1916 HydrophobicContact CZ-CG2 3.73Å; F1912-T1916 WeakPolarHBondContact O-CG2 3.25Å; F1912-T1916 PolarHBondContact O-N 3.24Å; F1912-T1916 PolarHBondContact O-OG1 2.95Å; L1913-T1916 WeakPolarHBondContact CA-OG1 3.48Å; L1913-T1916 PolarHBondContact O-OG1 3.43Å; T1916-K1918 PolarHBondContact O-N 3.29Å; T1916-W1919 HydrophobicContact CG2-CE3 4.02Å; T1916-W1919 HydrophobicContact CG2-CH2 3.94Å; T1916-W1919 HydrophobicContact CG2-CZ3 3.6Å; T1916-W1919 WeakPolarHBondContact O-CB 3.45Å; T1916-W1919 PolarHBondContact O-N 3Å |
| 1917 | S | 91.7 | Very high | 92.4 | Very high | 49 Ų | 49 | 35.6 Ų | 35.6 | 34% | 0.343 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -12.1 | 177.5 | 68.5 | 0 | 0 | 0 | 0 | 115.5 | L1913 R1914 L1915 | L1913-S1917 WeakPolarHBondContact O-CB 3.39Å; L1913-S1917 PolarHBondContact O-N 2.85Å; L1913-S1917 PolarHBondContact O-OG 3.1Å; L1913-S1917 VanDerWaalsContact O-OG 3.14Å; R1914-S1917 PolarHBondContact O-OG 3.3Å; L1915-S1917 VanDerWaalsContact C-N 3.3Å; L1915-S1917 PolarHBondContact O-N 2.7Å |
| 1918 | K | 90.8 | Very high | 92.2 | Very high | 161 Ų | 161 | 36.5 Ų | 36.5 | 70% | 0.7 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -20.3 | 173.2 | -60 | 177.2 | -176.5 | 176.4 | 0 | 113.2 | L1915 T1916 | L1915-K1918 WeakPolarHBondContact O-CB 3.44Å; L1915-K1918 WeakPolarHBondContact O-CG 3.32Å; L1915-K1918 PolarHBondContact O-N 3.45Å; T1916-K1918 PolarHBondContact O-N 3.29Å |
| 1919 | W | 91.4 | Very high | 92.1 | Very high | 29 Ų | 29 | 37 Ų | 37 | 11% | 0.11 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -78.6 | 139.1 | -174.6 | -61.6 | -25.9 | 0 | 0 | 0 | 111.4 | Y1835 H1840 C1842 E1846 L1850 T1916 T1921 F1922 | Y1835-W1919 AromaticContact CD2-CH2 3.96Å; Y1835-W1919 HydrophobicContact CD2-CH2 3.96Å; Y1835-W1919 HydrophobicContact CD2-CZ3 4.33Å; Y1835-W1919 HydrophobicContact CE2-CH2 4.41Å; H1840-W1919 HydrophobicContact CB-CD2 4.36Å; H1840-W1919 HydrophobicContact CB-CE3 3.55Å; H1840-W1919 HydrophobicContact CB-CH2 4.32Å; H1840-W1919 HydrophobicContact CB-CZ3 3.51Å; H1840-W1919 AromaticContact CG-CE3 3.65Å; H1840-W1919 AromaticContact CG-CZ3 3.71Å; H1840-W1919 AromaticContact ND1-CE3 3.7Å; C1842-W1919 HydrophobicContact CB-CH2 4.14Å; C1842-W1919 HydrophobicContact CB-CZ2 4.12Å; E1846-W1919 PolarHBondContact OE1-NE1 2.78Å; L1850-W1919 HydrophobicContact CD1-CH2 3.48Å; L1850-W1919 VanDerWaalsContact CD1-CH2 3.48Å; L1850-W1919 HydrophobicContact CD1-CZ2 3.76Å; T1916-W1919 HydrophobicContact CG2-CE3 4.02Å; T1916-W1919 HydrophobicContact CG2-CH2 3.94Å; T1916-W1919 HydrophobicContact CG2-CZ3 3.6Å; T1916-W1919 WeakPolarHBondContact O-CB 3.45Å; T1916-W1919 PolarHBondContact O-N 3Å; W1919-T1921 PolarHBondContact O-N 2.9Å; W1919-F1922 WeakPolarHBondContact O-CB 3.36Å; W1919-F1922 PolarHBondContact O-N 3.49Å |
| 1920 | P | 90.9 | Very high | 91.9 | Very high | 72 Ų | 72 | 38 Ų | 38 | 47% | 0.468 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20.4 | 178.9 | -25.9 | 34.5 | 0 | 0 | 0 | 114.8 | N1946 N1948 M1951 I1960 | P1920-N1946 PolarHBondContact O-ND2 3.4Å; P1920-N1948 PolarHBondContact O-ND2 2.74Å; P1920-M1951 HydrophobicContact CB-CE 4.12Å; P1920-I1960 HydrophobicContact CB-CD1 4.18Å; P1920-I1960 HydrophobicContact CG-CD1 4.41Å |
| 1921 | T | 92.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.055 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 8.5 | -178.3 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | H1840 W1919 S1924 F1926 M1951 I1953 | H1840-T1921 PolarHBondContact CE1-O 2.91Å; H1840-T1921 VanDerWaalsContact CE1-O 3.29Å; H1840-T1921 PolarHBondContact ND1-OG1 2.86Å; W1919-T1921 PolarHBondContact O-N 2.9Å; T1921-S1924 WeakPolarHBondContact CA-OG 3.35Å; T1921-S1924 WeakPolarHBondContact O-CB 3.44Å; T1921-S1924 PolarHBondContact O-N 3.26Å; T1921-S1924 VanDerWaalsContact O-N 3.16Å; T1921-S1924 PolarHBondContact O-OG 3.15Å; T1921-S1924 VanDerWaalsContact O-OG 3.04Å; T1921-F1926 HydrophobicContact CG2-CE1 4.31Å; T1921-M1951 HydrophobicContact CG2-SD 4.07Å; T1921-I1953 HydrophobicContact CG2-CD1 3.78Å |
| 1922 | F | 92.5 | Very high | 91.2 | Very high | 22 Ų | 22 | 38.8 Ų | 38.8 | 10% | 0.096 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 137.3 | 171.4 | -178.8 | -102.4 | 0 | 0 | 0 | 111 | W1811 V1814 E1831 L1913 W1919 S1924 | W1811-F1922 HydrophobicContact CE3-CD1 4.5Å; W1811-F1922 AromaticContact CE3-CE1 3.95Å; W1811-F1922 HydrophobicContact CE3-CE1 3.95Å; W1811-F1922 HydrophobicContact CE3-CZ 4.21Å; W1811-F1922 HydrophobicContact CZ3-CE1 4.05Å; W1811-F1922 HydrophobicContact CZ3-CE2 4.38Å; W1811-F1922 AromaticContact CZ3-CZ 3.81Å; W1811-F1922 HydrophobicContact CZ3-CZ 3.81Å; V1814-F1922 HydrophobicContact CB-CE1 4.35Å; V1814-F1922 HydrophobicContact CG1-CE1 3.89Å; V1814-F1922 HydrophobicContact CG1-CZ 4.15Å; E1831-F1922 HydrophobicContact CG-CD2 4.25Å; E1831-F1922 HydrophobicContact CG-CE2 3.91Å; L1913-F1922 HydrophobicContact CD2-CE2 4.01Å; L1913-F1922 HydrophobicContact CD2-CZ 4.17Å; W1919-F1922 WeakPolarHBondContact O-CB 3.36Å; W1919-F1922 PolarHBondContact O-N 3.49Å; F1922-S1924 PolarHBondContact O-N 2.82Å |
| 1923 | G | 89.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | -4.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | W1811 E1831 | W1811-G1923 VanDerWaalsContact CD2-CA 3.44Å; W1811-G1923 VanDerWaalsContact CG-CA 3.46Å; E1831-G1923 WeakPolarHBondContact OE1-CA 3.48Å; E1831-G1923 PolarHBondContact OE1-N 2.92Å |
| 1924 | S | 91.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -64.4 | 141.3 | -179.1 | -67.3 | 0 | 0 | 0 | 0 | 113.2 | K1834 T1921 F1922 I1945 N1946 | K1834-S1924 WeakPolarHBondContact CD-O 3.36Å; K1834-S1924 WeakPolarHBondContact CE-O 3.32Å; K1834-S1924 PolarHBondContact NZ-O 3.45Å; T1921-S1924 WeakPolarHBondContact CA-OG 3.35Å; T1921-S1924 WeakPolarHBondContact O-CB 3.44Å; T1921-S1924 PolarHBondContact O-N 3.26Å; T1921-S1924 VanDerWaalsContact O-N 3.16Å; T1921-S1924 PolarHBondContact O-OG 3.15Å; T1921-S1924 VanDerWaalsContact O-OG 3.04Å; F1922-S1924 PolarHBondContact O-N 2.82Å; S1924-I1945 WeakPolarHBondContact CA-O 3.48Å; S1924-N1946 WeakPolarHBondContact OG-CB 3.3Å; S1924-N1946 PolarHBondContact OG-ND2 3.18Å | ||
| 1925 | V | 90.5 | Very high | 88.8 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 18% | 0.176 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 129.7 | 155.9 | -176.1 | 0 | 0 | 0 | 0 | 107.2 | F1927 A1944 I1945 L2005 | V1925-F1927 HydrophobicContact CB-CE2 4.11Å; V1925-F1927 HydrophobicContact CB-CZ 4.4Å; V1925-F1927 HydrophobicContact CG1-CD2 4.42Å; V1925-F1927 HydrophobicContact CG1-CE1 4.25Å; V1925-F1927 HydrophobicContact CG1-CE2 3.61Å; V1925-F1927 HydrophobicContact CG1-CZ 3.53Å; V1925-A1944 WeakPolarHBondContact O-CA 3.36Å; V1925-I1945 PolarHBondContact N-O 3.21Å; V1925-I1945 PolarHBondContact O-N 3.02Å; V1925-L2005 HydrophobicContact CB-CD2 3.73Å; V1925-L2005 HydrophobicContact CG2-CD1 4.18Å; V1925-L2005 HydrophobicContact CG2-CD2 3.57Å |
| 1926 | F | 91 | Very high | 88.3 | Confident | 19 Ų | 19 | 47.2 Ų | 47.2 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 138.8 | -176.8 | -59.7 | -86.3 | 0 | 0 | 0 | 110.6 | K1834 Y1839 H1840 T1921 L1942 F1943 A1944 I1953 | K1834-F1926 HydrophobicContact CB-CD2 4.44Å; K1834-F1926 HydrophobicContact CB-CE2 4.12Å; K1834-F1926 HydrophobicContact CD-CD2 4.07Å; K1834-F1926 HydrophobicContact CD-CE2 3.84Å; K1834-F1926 HydrophobicContact CG-CE2 4.46Å; Y1839-F1926 HydrophobicContact CD1-CB 4.45Å; Y1839-F1926 HydrophobicContact CD2-CB 3.89Å; Y1839-F1926 AromaticContact CD2-CD2 3.7Å; Y1839-F1926 HydrophobicContact CD2-CD2 3.7Å; Y1839-F1926 HydrophobicContact CD2-CE2 4.43Å; Y1839-F1926 AromaticContact CD2-CG 3.97Å; Y1839-F1926 HydrophobicContact CD2-CG 3.97Å; Y1839-F1926 HydrophobicContact CE2-CB 4.03Å; Y1839-F1926 HydrophobicContact CG-CB 4.09Å; Y1839-F1926 AromaticContact CG-CD2 3.96Å; Y1839-F1926 HydrophobicContact CG-CD2 3.96Å; Y1839-F1926 HydrophobicContact CG-CE2 4.46Å; Y1839-F1926 AromaticContact CG-CG 3.97Å; Y1839-F1926 HydrophobicContact CG-CG 3.97Å; H1840-F1926 AromaticContact CE1-CE2 3.7Å; H1840-F1926 AromaticContact CE1-CZ 3.66Å; H1840-F1926 AromaticContact ND1-CZ 3.9Å; H1840-F1926 AromaticContact NE2-CE2 3.62Å; H1840-F1926 AromaticContact NE2-CZ 3.91Å; T1921-F1926 HydrophobicContact CG2-CE1 4.31Å; F1926-L1942 HydrophobicContact CB-CD2 4.09Å; F1926-L1942 HydrophobicContact CB-CG 4.26Å; F1926-L1942 HydrophobicContact CD1-CD2 3.47Å; F1926-L1942 VanDerWaalsContact CD1-CD2 3.47Å; F1926-L1942 HydrophobicContact CD1-CG 4.21Å; F1926-L1942 HydrophobicContact CE1-CD2 4.14Å; F1926-L1942 HydrophobicContact CG-CD2 4.05Å; F1926-F1943 WeakPolarHBondContact CA-O 3.4Å; F1926-A1944 HydrophobicContact CD1-CB 3.66Å; F1926-A1944 HydrophobicContact CE1-CB 3.86Å; F1926-I1953 HydrophobicContact CE1-CD1 4.1Å |
| 1927 | F | 90.3 | Very high | 87.9 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.2 | 176.7 | -56.3 | -90.5 | 0 | 0 | 0 | 109.1 | V1925 I1929 F1943 I1945 M1998 K2001 M2002 | V1925-F1927 HydrophobicContact CB-CE2 4.11Å; V1925-F1927 HydrophobicContact CB-CZ 4.4Å; V1925-F1927 HydrophobicContact CG1-CD2 4.42Å; V1925-F1927 HydrophobicContact CG1-CE1 4.25Å; V1925-F1927 HydrophobicContact CG1-CE2 3.61Å; V1925-F1927 HydrophobicContact CG1-CZ 3.53Å; F1927-I1929 HydrophobicContact CB-CG2 4.28Å; F1927-F1943 HydrophobicContact CB-CB 4.41Å; F1927-F1943 PolarHBondContact N-O 3.15Å; F1927-F1943 PolarHBondContact O-N 2.87Å; F1927-I1945 HydrophobicContact CD2-CD1 4.13Å; F1927-I1945 HydrophobicContact CD2-CG1 4.37Å; F1927-I1945 HydrophobicContact CE2-CD1 3.58Å; F1927-I1945 HydrophobicContact CE2-CG1 4.05Å; F1927-I1945 HydrophobicContact CZ-CD1 4.48Å; F1927-M1998 HydrophobicContact CD1-CB 3.83Å; F1927-M1998 HydrophobicContact CD1-CG 4.48Å; F1927-M1998 HydrophobicContact CE1-CB 4.17Å; F1927-K2001 HydrophobicContact CE1-CB 3.82Å; F1927-K2001 HydrophobicContact CE1-CD 4.47Å; F1927-K2001 HydrophobicContact CZ-CB 4.13Å; F1927-M2002 HydrophobicContact CB-CE 3.89Å; F1927-M2002 HydrophobicContact CD1-CG 3.88Å; F1927-M2002 HydrophobicContact CD2-CE 4.14Å; F1927-M2002 HydrophobicContact CD2-CG 3.89Å; F1927-M2002 HydrophobicContact CE1-CG 3.86Å; F1927-M2002 HydrophobicContact CE2-CG 3.88Å; F1927-M2002 HydrophobicContact CG-CE 4.04Å; F1927-M2002 HydrophobicContact CG-CG 3.88Å; F1927-M2002 HydrophobicContact CG-SD 4.42Å; F1927-M2002 HydrophobicContact CZ-CG 3.85Å |
| 1928 | D | 86.7 | Confident | 87.6 | Confident | 84 Ų | 84 | 48.4 Ų | 48.4 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 123.8 | 167 | -62.7 | -91.7 | 0 | 0 | 0 | 108.7 | Y1839 L1942 | Y1839-D1928 PolarHBondContact OH-OD2 3.46Å; D1928-L1942 HydrophobicContact CB-CD1 4.45Å; D1928-L1942 WeakPolarHBondContact OD1-CD1 3.48Å |
| 1929 | I | 90.3 | Very high | 87.5 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 159.9 | -176.6 | 60.7 | 157.7 | 0 | 0 | 0 | 112.1 | F1927 L1941 F1943 C1994 T1996 M2002 | F1927-I1929 HydrophobicContact CB-CG2 4.28Å; I1929-L1941 HydrophobicContact CD1-CB 4.17Å; I1929-L1941 HydrophobicContact CG1-CB 3.96Å; I1929-L1941 VanDerWaalsContact CG1-O 3.31Å; I1929-L1941 WeakPolarHBondContact CG1-O 3.23Å; I1929-L1941 PolarHBondContact N-O 3.28Å; I1929-L1941 PolarHBondContact O-N 3.09Å; I1929-L1941 VanDerWaalsContact O-N 3.15Å; I1929-F1943 HydrophobicContact CD1-CB 3.86Å; I1929-F1943 HydrophobicContact CD1-CD2 3.85Å; I1929-F1943 HydrophobicContact CD1-CG 4.33Å; I1929-F1943 HydrophobicContact CG1-CB 4.07Å; I1929-F1943 HydrophobicContact CG2-CB 4.17Å; I1929-C1994 HydrophobicContact CB-CB 4.49Å; I1929-C1994 HydrophobicContact CD1-CB 4.14Å; I1929-C1994 VanDerWaalsContact CD1-SG 3.52Å; I1929-T1996 HydrophobicContact CG2-CG2 4.2Å; I1929-M2002 HydrophobicContact CG2-CE 3.81Å |
| 1930 | K | 90.4 | Very high | 87.4 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 27% | 0.265 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 116.1 | 164.9 | -163.3 | 178.4 | -169.2 | -83.7 | 0 | 109.2 | E1939 C1994 E1995 | K1930-E1939 CarbonylContact C-O 3.57Å; K1930-E1939 VanDerWaalsContact CA-O 3.22Å; K1930-E1939 WeakPolarHBondContact CA-O 3.34Å; K1930-E1939 WeakPolarHBondContact CE-OE2 3.39Å; K1930-E1939 HydrophobicContact CG-CB 4.27Å; K1930-E1939 IonicContact NZ-OE1 3.63Å; K1930-E1939 PolarHBondContact NZ-OE1 3.17Å; K1930-E1939 IonicContact NZ-OE2 3.15Å; K1930-E1939 PolarHBondContact NZ-OE2 3.38Å; K1930-C1994 CarbonylContact O-C 3.59Å; K1930-C1994 WeakPolarHBondContact O-CA 3.4Å; K1930-E1995 HydrophobicContact CB-CB 4.33Å; K1930-E1995 PolarHBondContact N-O 2.95Å; K1930-E1995 PolarHBondContact O-N 3.46Å |
| 1931 | Q | 90 | Very high | 87.4 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.028 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 147.3 | 178.5 | 85 | 81.8 | 30.2 | 0 | 0 | 111.2 | I1934 L1937 E1939 L1941 L1992 L1993 | Q1931-I1934 PolarHBondContact NE2-O 2.95Å; Q1931-L1937 PolarHBondContact NE2-O 3.05Å; Q1931-L1937 VanDerWaalsContact NE2-O 3.17Å; Q1931-E1939 PolarHBondContact N-O 3.07Å; Q1931-L1941 HydrophobicContact CB-CD1 4.42Å; Q1931-L1941 HydrophobicContact CG-CD1 3.8Å; Q1931-L1992 HydrophobicContact CB-CD1 4.18Å; Q1931-L1992 HydrophobicContact CG-CD1 4.32Å; Q1931-L1993 WeakPolarHBondContact CA-O 3.38Å |
| 1932 | T | 83.2 | Confident | 87.3 | Confident | 87 Ų | 87 | 47.4 Ų | 47.4 | 53% | 0.534 | 27% | 0.265 | S | S | . | . | trans | -129.9 | -4.5 | -175.3 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | L1993 | T1932-L1993 PolarHBondContact N-O 2.82Å; T1932-L1993 WeakPolarHBondContact OG1-CD2 3.34Å | ||
| 1933 | G | 74 | Confident | 87.3 | Confident | 46 Ų | 46 | 46.4 Ų | 46.4 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -91.9 | -35.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1934 | I | 81.6 | Confident | 87.5 | Confident | 25 Ų | 25 | 46.4 Ų | 46.4 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | trans | -111.6 | 104.4 | -170.2 | -56.8 | -179.5 | 0 | 0 | 0 | 109.7 | Q1931 T1936 L1937 T1990 L1992 | Q1931-I1934 PolarHBondContact NE2-O 2.95Å; I1934-T1936 WeakPolarHBondContact CG2-OG1 3.17Å; I1934-T1936 PolarHBondContact O-N 3.27Å; I1934-L1937 HydrophobicContact CB-CB 4.5Å; I1934-L1937 HydrophobicContact CB-CD1 4.15Å; I1934-L1937 HydrophobicContact CB-CG 4.43Å; I1934-L1937 HydrophobicContact CD1-CD1 4.09Å; I1934-L1937 HydrophobicContact CG2-CB 4.37Å; I1934-L1937 HydrophobicContact CG2-CD1 4Å; I1934-L1937 HydrophobicContact CG2-CG 3.97Å; I1934-L1937 PolarHBondContact O-N 3.01Å; I1934-L1937 VanDerWaalsContact O-N 3.12Å; I1934-T1990 HydrophobicContact CD1-CG2 3.51Å; I1934-T1990 HydrophobicContact CG1-CG2 4.12Å; I1934-L1992 HydrophobicContact CD1-CB 4.33Å; I1934-L1992 HydrophobicContact CD1-CD1 3.62Å; I1934-L1992 HydrophobicContact CG1-CD1 4.1Å | ||
| 1935 | T | 79.5 | Confident | 87.5 | Confident | 144 Ų | 144 | 46.4 Ų | 46.4 | 88% | 0.883 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -16.9 | -173.7 | 51.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1936 | T | 82.9 | Confident | 87.6 | Confident | 122 Ų | 122 | 45 Ų | 45 | 75% | 0.748 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -7.5 | 175.7 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | I1934 | I1934-T1936 WeakPolarHBondContact CG2-OG1 3.17Å; I1934-T1936 PolarHBondContact O-N 3.27Å |
| 1937 | L | 84.4 | Confident | 87.7 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -106.2 | 143.2 | 177.5 | -70.1 | 175.9 | 0 | 0 | 0 | 111.3 | Q1931 I1934 L1941 L1952 L1961 L1992 | Q1931-L1937 PolarHBondContact NE2-O 3.05Å; Q1931-L1937 VanDerWaalsContact NE2-O 3.17Å; I1934-L1937 HydrophobicContact CB-CB 4.5Å; I1934-L1937 HydrophobicContact CB-CD1 4.15Å; I1934-L1937 HydrophobicContact CB-CG 4.43Å; I1934-L1937 HydrophobicContact CD1-CD1 4.09Å; I1934-L1937 HydrophobicContact CG2-CB 4.37Å; I1934-L1937 HydrophobicContact CG2-CD1 4Å; I1934-L1937 HydrophobicContact CG2-CG 3.97Å; I1934-L1937 PolarHBondContact O-N 3.01Å; I1934-L1937 VanDerWaalsContact O-N 3.12Å; L1937-L1941 HydrophobicContact CB-CD1 4.44Å; L1937-L1941 HydrophobicContact CD1-CD1 4.47Å; L1937-L1952 HydrophobicContact CD1-CD1 3.74Å; L1937-L1961 HydrophobicContact CD2-CB 4.11Å; L1937-L1961 HydrophobicContact CD2-CD1 3.86Å; L1937-L1992 HydrophobicContact CD1-CD1 4.34Å |
| 1938 | P | 85.8 | Confident | 87.6 | Confident | 51 Ų | 51 | 51.8 Ų | 51.8 | 33% | 0.331 | 29% | 0.285 | S | S | . | . | trans | -51.1 | 146.6 | 171.7 | -26.2 | 32.8 | 0 | 0 | 0 | 112.9 | K1940 L1941 L1961 | P1938-K1940 PolarHBondContact O-N 3.48Å; P1938-L1941 HydrophobicContact CB-CD2 4.05Å; P1938-L1941 HydrophobicContact CG-CD2 4.21Å; P1938-L1961 HydrophobicContact CG-CD1 4.14Å | ||
| 1939 | E | 87.3 | Confident | 87.8 | Confident | 108 Ų | 108 | 47.8 Ų | 47.8 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -58.2 | -47.6 | 173.5 | -75.4 | -155.8 | 130.2 | 0 | 0 | 111.6 | K1930 Q1931 | K1930-E1939 CarbonylContact C-O 3.57Å; K1930-E1939 VanDerWaalsContact CA-O 3.22Å; K1930-E1939 WeakPolarHBondContact CA-O 3.34Å; K1930-E1939 WeakPolarHBondContact CE-OE2 3.39Å; K1930-E1939 HydrophobicContact CG-CB 4.27Å; K1930-E1939 IonicContact NZ-OE1 3.63Å; K1930-E1939 PolarHBondContact NZ-OE1 3.17Å; K1930-E1939 IonicContact NZ-OE2 3.15Å; K1930-E1939 PolarHBondContact NZ-OE2 3.38Å; Q1931-E1939 PolarHBondContact N-O 3.07Å |
| 1940 | K | 90 | Very high | 88 | Confident | 143 Ų | 143 | 47.3 Ų | 47.3 | 62% | 0.622 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.5 | -177.8 | -73.9 | -176.1 | 177.9 | 177.2 | 0 | 110.6 | P1938 | P1938-K1940 PolarHBondContact O-N 3.48Å |
| 1941 | L | 91 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 156.1 | 179.7 | -62.1 | 176.1 | 0 | 0 | 0 | 111 | I1929 Q1931 L1937 P1938 L1952 L1961 | I1929-L1941 HydrophobicContact CD1-CB 4.17Å; I1929-L1941 HydrophobicContact CG1-CB 3.96Å; I1929-L1941 VanDerWaalsContact CG1-O 3.31Å; I1929-L1941 WeakPolarHBondContact CG1-O 3.23Å; I1929-L1941 PolarHBondContact N-O 3.28Å; I1929-L1941 PolarHBondContact O-N 3.09Å; I1929-L1941 VanDerWaalsContact O-N 3.15Å; Q1931-L1941 HydrophobicContact CB-CD1 4.42Å; Q1931-L1941 HydrophobicContact CG-CD1 3.8Å; L1937-L1941 HydrophobicContact CB-CD1 4.44Å; L1937-L1941 HydrophobicContact CD1-CD1 4.47Å; P1938-L1941 HydrophobicContact CB-CD2 4.05Å; P1938-L1941 HydrophobicContact CG-CD2 4.21Å; L1941-L1952 HydrophobicContact CD1-CD1 4.5Å; L1941-L1961 HydrophobicContact CD2-CD1 3.69Å |
| 1942 | L | 90.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.1 | 158.6 | -138.3 | 72 | 0 | 0 | 0 | 108.3 | Y1839 F1926 D1928 I1953 | Y1839-L1942 HydrophobicContact CD1-CD1 3.89Å; Y1839-L1942 HydrophobicContact CD1-CD2 3.45Å; Y1839-L1942 VanDerWaalsContact CD1-CD2 3.45Å; Y1839-L1942 HydrophobicContact CD1-CG 4.25Å; Y1839-L1942 HydrophobicContact CE1-CD1 3.66Å; Y1839-L1942 HydrophobicContact CE1-CD2 4.09Å; Y1839-L1942 HydrophobicContact CE1-CG 4.42Å; Y1839-L1942 HydrophobicContact CG-CD2 4.01Å; F1926-L1942 HydrophobicContact CB-CD2 4.09Å; F1926-L1942 HydrophobicContact CB-CG 4.26Å; F1926-L1942 HydrophobicContact CD1-CD2 3.47Å; F1926-L1942 VanDerWaalsContact CD1-CD2 3.47Å; F1926-L1942 HydrophobicContact CD1-CG 4.21Å; F1926-L1942 HydrophobicContact CE1-CD2 4.14Å; F1926-L1942 HydrophobicContact CG-CD2 4.05Å; D1928-L1942 HydrophobicContact CB-CD1 4.45Å; D1928-L1942 WeakPolarHBondContact OD1-CD1 3.48Å; L1942-I1953 HydrophobicContact CB-CB 4.02Å; L1942-I1953 PolarHBondContact N-O 2.98Å; L1942-I1953 PolarHBondContact O-N 2.88Å |
| 1943 | F | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 117.1 | 173 | -167.2 | -77.9 | 0 | 0 | 0 | 108 | F1926 F1927 I1929 I1945 I1950 L1952 F1979 L1981 L1992 M2002 | F1926-F1943 WeakPolarHBondContact CA-O 3.4Å; F1927-F1943 HydrophobicContact CB-CB 4.41Å; F1927-F1943 PolarHBondContact N-O 3.15Å; F1927-F1943 PolarHBondContact O-N 2.87Å; I1929-F1943 HydrophobicContact CD1-CB 3.86Å; I1929-F1943 HydrophobicContact CD1-CD2 3.85Å; I1929-F1943 HydrophobicContact CD1-CG 4.33Å; I1929-F1943 HydrophobicContact CG1-CB 4.07Å; I1929-F1943 HydrophobicContact CG2-CB 4.17Å; F1943-I1945 HydrophobicContact CD1-CD1 4.01Å; F1943-I1945 HydrophobicContact CD1-CG1 3.74Å; F1943-I1945 HydrophobicContact CE1-CD1 3.67Å; F1943-I1945 HydrophobicContact CE1-CG1 3.64Å; F1943-I1950 HydrophobicContact CD1-CG2 4.26Å; F1943-I1950 HydrophobicContact CD2-CG2 4.43Å; F1943-I1950 HydrophobicContact CE1-CD1 4.47Å; F1943-I1950 HydrophobicContact CE1-CG1 4.44Å; F1943-I1950 HydrophobicContact CE1-CG2 3.6Å; F1943-I1950 HydrophobicContact CE2-CG2 3.79Å; F1943-I1950 HydrophobicContact CZ-CD1 4.14Å; F1943-I1950 HydrophobicContact CZ-CG1 4.47Å; F1943-I1950 HydrophobicContact CZ-CG2 3.35Å; F1943-L1952 HydrophobicContact CD2-CD2 3.47Å; F1943-L1952 VanDerWaalsContact CD2-CD2 3.47Å; F1943-L1952 HydrophobicContact CE2-CD2 3.97Å; F1943-L1952 HydrophobicContact CG-CD2 4.29Å; F1943-F1979 HydrophobicContact CE1-CE1 4.48Å; F1943-F1979 HydrophobicContact CE2-CE1 4.34Å; F1943-F1979 HydrophobicContact CZ-CD1 4.38Å; F1943-F1979 AromaticContact CZ-CE1 3.8Å; F1943-F1979 HydrophobicContact CZ-CE1 3.8Å; F1943-L1981 HydrophobicContact CE2-CD2 4.07Å; F1943-L1981 HydrophobicContact CZ-CD2 4.01Å; F1943-L1992 HydrophobicContact CD2-CD2 4.32Å; F1943-L1992 HydrophobicContact CE2-CD2 3.96Å; F1943-M2002 HydrophobicContact CB-CE 3.8Å; F1943-M2002 HydrophobicContact CD1-CE 3.34Å; F1943-M2002 HydrophobicContact CD2-CE 4.02Å; F1943-M2002 HydrophobicContact CE1-CE 3.74Å; F1943-M2002 HydrophobicContact CE2-CE 4.38Å; F1943-M2002 HydrophobicContact CG-CE 3.47Å; F1943-M2002 VanDerWaalsContact CG-CE 3.47Å; F1943-M2002 HydrophobicContact CZ-CE 4.23Å |
| 1944 | A | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 138 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1925 F1926 I1950 M1951 I1953 | V1925-A1944 WeakPolarHBondContact O-CA 3.36Å; F1926-A1944 HydrophobicContact CD1-CB 3.66Å; F1926-A1944 HydrophobicContact CE1-CB 3.86Å; A1944-I1950 CarbonylContact O-C 3.52Å; A1944-I1950 WeakPolarHBondContact O-CA 3.41Å; A1944-M1951 HydrophobicContact CB-CB 4.26Å; A1944-M1951 PolarHBondContact N-O 2.73Å; A1944-M1951 PolarHBondContact O-N 3.21Å; A1944-I1953 HydrophobicContact CB-CD1 3.84Å |
| 1945 | I | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 120.8 | -177.2 | -45.5 | -179.5 | 0 | 0 | 0 | 109.2 | S1924 V1925 F1927 F1943 Y1966 M2002 L2005 I2006 Y2009 | S1924-I1945 WeakPolarHBondContact CA-O 3.48Å; V1925-I1945 PolarHBondContact N-O 3.21Å; V1925-I1945 PolarHBondContact O-N 3.02Å; F1927-I1945 HydrophobicContact CD2-CD1 4.13Å; F1927-I1945 HydrophobicContact CD2-CG1 4.37Å; F1927-I1945 HydrophobicContact CE2-CD1 3.58Å; F1927-I1945 HydrophobicContact CE2-CG1 4.05Å; F1927-I1945 HydrophobicContact CZ-CD1 4.48Å; F1943-I1945 HydrophobicContact CD1-CD1 4.01Å; F1943-I1945 HydrophobicContact CD1-CG1 3.74Å; F1943-I1945 HydrophobicContact CE1-CD1 3.67Å; F1943-I1945 HydrophobicContact CE1-CG1 3.64Å; I1945-Y1966 WeakPolarHBondContact CG2-OH 3.44Å; I1945-M2002 HydrophobicContact CD1-CB 4Å; I1945-M2002 HydrophobicContact CD1-CG 4.43Å; I1945-L2005 HydrophobicContact CB-CD2 3.82Å; I1945-L2005 HydrophobicContact CD1-CB 4.47Å; I1945-L2005 HydrophobicContact CG2-CD2 3.85Å; I1945-I2006 HydrophobicContact CD1-CD1 4.12Å; I1945-I2006 HydrophobicContact CD1-CG1 4.04Å; I1945-I2006 HydrophobicContact CG2-CG1 4.14Å; I1945-Y2009 HydrophobicContact CG2-CD2 4.33Å |
| 1946 | N | 92.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | -175 | 179.6 | 76 | 24.9 | 0 | 0 | 0 | 112.9 | P1920 S1924 N1948 G1949 Y1966 | P1920-N1946 PolarHBondContact O-ND2 3.4Å; S1924-N1946 WeakPolarHBondContact OG-CB 3.3Å; S1924-N1946 PolarHBondContact OG-ND2 3.18Å; N1946-N1948 PolarHBondContact O-N 3.1Å; N1946-N1948 WeakPolarHBondContact OD1-CA 3.49Å; N1946-N1948 VanDerWaalsContact OD1-CB 3.24Å; N1946-N1948 WeakPolarHBondContact OD1-CB 3.38Å; N1946-N1948 PolarHBondContact OD1-N 2.92Å; N1946-G1949 PolarHBondContact N-O 3.28Å; N1946-G1949 PolarHBondContact O-N 3.01Å; N1946-Y1966 VanDerWaalsContact O-CE2 3.31Å; N1946-Y1966 WeakPolarHBondContact O-CE2 3.26Å; N1946-Y1966 PolarHBondContact O-OH 2.89Å |
| 1947 | K | 91.3 | Very high | 89.8 | Confident | 95 Ų | 95 | 36.3 Ų | 36.3 | 41% | 0.413 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -22.2 | -179 | 72.1 | 176.9 | -173.3 | 176 | 0 | 115.2 | V1812 Y2009 F2013 | V1812-K1947 HydrophobicContact CG1-CB 4.29Å; K1947-Y2009 HydrophobicContact CB-CE1 4.15Å; K1947-F2013 HydrophobicContact CB-CZ 4.48Å; K1947-F2013 WeakPolarHBondContact O-CZ 3.48Å |
| 1948 | N | 89.6 | Confident | 90 | Very high | 80 Ų | 80 | 36.5 Ų | 36.5 | 43% | 0.428 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -17.9 | 179.9 | -51.9 | -27.2 | 0 | 0 | 0 | 112.2 | P1920 N1946 | P1920-N1948 PolarHBondContact O-ND2 2.74Å; N1946-N1948 PolarHBondContact O-N 3.1Å; N1946-N1948 WeakPolarHBondContact OD1-CA 3.49Å; N1946-N1948 VanDerWaalsContact OD1-CB 3.24Å; N1946-N1948 WeakPolarHBondContact OD1-CB 3.38Å; N1946-N1948 PolarHBondContact OD1-N 2.92Å |
| 1949 | G | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 132.5 | -148.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | N1946 Y1964 | N1946-G1949 PolarHBondContact N-O 3.28Å; N1946-G1949 PolarHBondContact O-N 3.01Å; G1949-Y1964 WeakPolarHBondContact CA-O 3.49Å |
| 1950 | I | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131 | 179.2 | -63.8 | 174.2 | 0 | 0 | 0 | 109 | F1943 A1944 S1963 Y1964 Y1966 V1969 L1981 I2006 | F1943-I1950 HydrophobicContact CD1-CG2 4.26Å; F1943-I1950 HydrophobicContact CD2-CG2 4.43Å; F1943-I1950 HydrophobicContact CE1-CD1 4.47Å; F1943-I1950 HydrophobicContact CE1-CG1 4.44Å; F1943-I1950 HydrophobicContact CE1-CG2 3.6Å; F1943-I1950 HydrophobicContact CE2-CG2 3.79Å; F1943-I1950 HydrophobicContact CZ-CD1 4.14Å; F1943-I1950 HydrophobicContact CZ-CG1 4.47Å; F1943-I1950 HydrophobicContact CZ-CG2 3.35Å; A1944-I1950 CarbonylContact O-C 3.52Å; A1944-I1950 WeakPolarHBondContact O-CA 3.41Å; I1950-S1963 CarbonylContact O-C 3.44Å; I1950-S1963 WeakPolarHBondContact O-CA 3.23Å; I1950-Y1964 PolarHBondContact N-O 2.95Å; I1950-Y1964 PolarHBondContact O-N 3.2Å; I1950-Y1966 HydrophobicContact CG1-CE1 4.42Å; I1950-V1969 HydrophobicContact CD1-CG2 3.81Å; I1950-L1981 HydrophobicContact CD1-CD1 4Å; I1950-L1981 HydrophobicContact CD1-CD2 3.94Å; I1950-L1981 HydrophobicContact CG2-CD2 4.33Å; I1950-I2006 HydrophobicContact CD1-CD1 3.7Å; I1950-I2006 HydrophobicContact CD1-CG1 4.1Å; I1950-I2006 HydrophobicContact CG1-CD1 4.46Å; I1950-I2006 HydrophobicContact CG1-CG1 4.5Å |
| 1951 | M | 93.7 | Very high | 90.4 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.3 | 178.5 | -38.4 | -179 | 82.5 | 0 | 0 | 110.6 | P1920 T1921 A1944 I1953 I1960 C1962 | P1920-M1951 HydrophobicContact CB-CE 4.12Å; T1921-M1951 HydrophobicContact CG2-SD 4.07Å; A1944-M1951 HydrophobicContact CB-CB 4.26Å; A1944-M1951 PolarHBondContact N-O 2.73Å; A1944-M1951 PolarHBondContact O-N 3.21Å; M1951-I1953 HydrophobicContact CB-CG1 4.37Å; M1951-I1960 HydrophobicContact CE-CD1 3.69Å; M1951-I1960 HydrophobicContact CE-CG1 4.19Å; M1951-I1960 HydrophobicContact CE-CG2 4.03Å; M1951-C1962 CarbonylContact C-O 3.59Å; M1951-C1962 WeakPolarHBondContact CA-O 2.94Å |
| 1952 | L | 92.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124 | 170.4 | -59.4 | -178.1 | 0 | 0 | 0 | 108.5 | L1937 L1941 F1943 L1961 C1962 Y1964 L1992 | L1937-L1952 HydrophobicContact CD1-CD1 3.74Å; L1941-L1952 HydrophobicContact CD1-CD1 4.5Å; F1943-L1952 HydrophobicContact CD2-CD2 3.47Å; F1943-L1952 VanDerWaalsContact CD2-CD2 3.47Å; F1943-L1952 HydrophobicContact CE2-CD2 3.97Å; F1943-L1952 HydrophobicContact CG-CD2 4.29Å; L1952-L1961 PolarHBondContact O-N 3.32Å; L1952-C1962 HydrophobicContact CB-CB 4.12Å; L1952-C1962 HydrophobicContact CD1-CB 4.25Å; L1952-C1962 HydrophobicContact CG-CB 4.34Å; L1952-C1962 PolarHBondContact N-O 2.64Å; L1952-C1962 PolarHBondContact O-N 2.91Å; L1952-Y1964 HydrophobicContact CD1-CE2 4.06Å; L1952-Y1964 HydrophobicContact CG-CE2 4.33Å; L1952-L1992 HydrophobicContact CD1-CD1 4.22Å; L1952-L1992 HydrophobicContact CD1-CD2 4.03Å; L1952-L1992 HydrophobicContact CD2-CD2 3.88Å |
| 1953 | I | 92.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 135.2 | -172.8 | -51.1 | 176.7 | 0 | 0 | 0 | 108.2 | T1921 F1926 L1942 A1944 M1951 S1955 R1958 E1959 I1960 | T1921-I1953 HydrophobicContact CG2-CD1 3.78Å; F1926-I1953 HydrophobicContact CE1-CD1 4.1Å; L1942-I1953 HydrophobicContact CB-CB 4.02Å; L1942-I1953 PolarHBondContact N-O 2.98Å; L1942-I1953 PolarHBondContact O-N 2.88Å; A1944-I1953 HydrophobicContact CB-CD1 3.84Å; M1951-I1953 HydrophobicContact CB-CG1 4.37Å; I1953-S1955 PolarHBondContact O-N 3.17Å; I1953-R1958 VanDerWaalsContact CG2-C 3.48Å; I1953-R1958 HydrophobicContact CG2-CB 4.47Å; I1953-E1959 CarbonylContact C-O 3.59Å; I1953-E1959 VanDerWaalsContact CA-O 3.29Å; I1953-E1959 WeakPolarHBondContact CA-O 3.48Å; I1953-E1959 WeakPolarHBondContact CG2-O 3.44Å; I1953-I1960 HydrophobicContact CD1-CG1 4.48Å; I1953-I1960 HydrophobicContact CG1-CG1 4.15Å |
| 1954 | Q | 89.2 | Confident | 90.3 | Very high | 55 Ų | 55 | 39.1 Ų | 39.1 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 131.5 | 174.4 | -177.2 | -179 | 0.2 | 0 | 0 | 110.3 | D1956 S1957 R1958 E1959 L1961 | Q1954-D1956 VanDerWaalsContact C-N 3.28Å; Q1954-D1956 PolarHBondContact NE2-OD2 3.29Å; Q1954-D1956 PolarHBondContact O-N 3.02Å; Q1954-S1957 WeakPolarHBondContact CB-OG 3.34Å; Q1954-S1957 VanDerWaalsContact CD-OG 3.24Å; Q1954-S1957 PolarHBondContact OE1-OG 2.67Å; Q1954-R1958 VanDerWaalsContact O-CA 3.3Å; Q1954-R1958 WeakPolarHBondContact O-CA 3.11Å; Q1954-R1958 PolarHBondContact O-N 3.45Å; Q1954-R1958 VanDerWaalsContact O-N 3.08Å; Q1954-E1959 PolarHBondContact N-O 2.92Å; Q1954-L1961 HydrophobicContact CB-CD1 4.09Å; Q1954-L1961 HydrophobicContact CB-CD2 4.24Å; Q1954-L1961 HydrophobicContact CB-CG 4.18Å |
| 1955 | S | 85.9 | Confident | 90.2 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 16% | 0.161 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -31.3 | -174 | -72.2 | 0 | 0 | 0 | 0 | 114.3 | I1953 R1958 | I1953-S1955 PolarHBondContact O-N 3.17Å; S1955-R1958 WeakPolarHBondContact O-CD 3.25Å; S1955-R1958 VanDerWaalsContact O-CZ 3.3Å; S1955-R1958 PolarHBondContact O-NE 3.25Å; S1955-R1958 PolarHBondContact O-NH1 3.45Å |
| 1956 | D | 82.7 | Confident | 90.1 | Very high | 123 Ų | 123 | 42.6 Ų | 42.6 | 66% | 0.658 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -50.1 | -169.8 | -21.5 | -70.6 | 0 | 0 | 0 | 112.1 | Q1954 | Q1954-D1956 VanDerWaalsContact C-N 3.28Å; Q1954-D1956 PolarHBondContact NE2-OD2 3.29Å; Q1954-D1956 PolarHBondContact O-N 3.02Å |
| 1957 | S | 83.6 | Confident | 89.9 | Confident | 48 Ų | 48 | 48.8 Ų | 48.8 | 34% | 0.336 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -17.8 | -178.7 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | Q1954 E1959 | Q1954-S1957 WeakPolarHBondContact CB-OG 3.34Å; Q1954-S1957 VanDerWaalsContact CD-OG 3.24Å; Q1954-S1957 PolarHBondContact OE1-OG 2.67Å; S1957-E1959 PolarHBondContact O-N 3.19Å; S1957-E1959 WeakPolarHBondContact OG-CB 3.32Å; S1957-E1959 PolarHBondContact OG-N 3.24Å |
| 1958 | R | 88.3 | Confident | 89.7 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 11% | 0.109 | 26% | 0.263 | C | S | . | . | trans | 54.8 | 25.5 | -166.5 | -52.4 | -52.1 | -160.3 | -170.7 | 10.4 | 113.7 | G1838 K1841 I1953 Q1954 S1955 | G1838-R1958 PolarHBondContact O-NE 2.87Å; G1838-R1958 PolarHBondContact O-NH2 3.23Å; K1841-R1958 HydrophobicContact CB-CB 4.14Å; I1953-R1958 VanDerWaalsContact CG2-C 3.48Å; I1953-R1958 HydrophobicContact CG2-CB 4.47Å; Q1954-R1958 VanDerWaalsContact O-CA 3.3Å; Q1954-R1958 WeakPolarHBondContact O-CA 3.11Å; Q1954-R1958 PolarHBondContact O-N 3.45Å; Q1954-R1958 VanDerWaalsContact O-N 3.08Å; S1955-R1958 WeakPolarHBondContact O-CD 3.25Å; S1955-R1958 VanDerWaalsContact O-CZ 3.3Å; S1955-R1958 PolarHBondContact O-NE 3.25Å; S1955-R1958 PolarHBondContact O-NH1 3.45Å | ||
| 1959 | E | 88.4 | Confident | 89.6 | Confident | 92 Ų | 92 | 45.4 Ų | 45.4 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | trans | -78.2 | 136.4 | 175 | -162 | 118.4 | -93 | 0 | 0 | 110.7 | K1841 I1953 Q1954 S1957 L1961 | K1841-E1959 IonicContact NZ-OE1 3.9Å; K1841-E1959 PolarHBondContact NZ-OE1 3.19Å; I1953-E1959 CarbonylContact C-O 3.59Å; I1953-E1959 VanDerWaalsContact CA-O 3.29Å; I1953-E1959 WeakPolarHBondContact CA-O 3.48Å; I1953-E1959 WeakPolarHBondContact CG2-O 3.44Å; Q1954-E1959 PolarHBondContact N-O 2.92Å; S1957-E1959 PolarHBondContact O-N 3.19Å; S1957-E1959 WeakPolarHBondContact OG-CB 3.32Å; S1957-E1959 PolarHBondContact OG-N 3.24Å; E1959-L1961 PolarHBondContact O-N 3.14Å | ||
| 1960 | I | 92 | Very high | 89.3 | Confident | 68 Ų | 68 | 48.2 Ų | 48.2 | 35% | 0.349 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 114.8 | 176.3 | -63.8 | 155.9 | 0 | 0 | 0 | 107.7 | P1920 M1951 I1953 | P1920-I1960 HydrophobicContact CB-CD1 4.18Å; P1920-I1960 HydrophobicContact CG-CD1 4.41Å; M1951-I1960 HydrophobicContact CE-CD1 3.69Å; M1951-I1960 HydrophobicContact CE-CG1 4.19Å; M1951-I1960 HydrophobicContact CE-CG2 4.03Å; I1953-I1960 HydrophobicContact CD1-CG1 4.48Å; I1953-I1960 HydrophobicContact CG1-CG1 4.15Å |
| 1961 | L | 91.4 | Very high | 89 | Confident | 66 Ų | 66 | 52.7 Ų | 52.7 | 35% | 0.346 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -39.4 | 178.5 | -57.5 | 180 | 0 | 0 | 0 | 111.6 | L1937 P1938 L1941 L1952 Q1954 E1959 | L1937-L1961 HydrophobicContact CD2-CB 4.11Å; L1937-L1961 HydrophobicContact CD2-CD1 3.86Å; P1938-L1961 HydrophobicContact CG-CD1 4.14Å; L1941-L1961 HydrophobicContact CD2-CD1 3.69Å; L1952-L1961 PolarHBondContact O-N 3.32Å; Q1954-L1961 HydrophobicContact CB-CD1 4.09Å; Q1954-L1961 HydrophobicContact CB-CD2 4.24Å; Q1954-L1961 HydrophobicContact CB-CG 4.18Å; E1959-L1961 PolarHBondContact O-N 3.14Å |
| 1962 | C | 88.7 | Confident | 88.9 | Confident | 28 Ų | 28 | 55 Ų | 55 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 152.3 | 179.3 | -46.9 | 0 | 0 | 0 | 0 | 110.6 | M1951 L1952 Y1964 | M1951-C1962 CarbonylContact C-O 3.59Å; M1951-C1962 WeakPolarHBondContact CA-O 2.94Å; L1952-C1962 HydrophobicContact CB-CB 4.12Å; L1952-C1962 HydrophobicContact CD1-CB 4.25Å; L1952-C1962 HydrophobicContact CG-CB 4.34Å; L1952-C1962 PolarHBondContact N-O 2.64Å; L1952-C1962 PolarHBondContact O-N 2.91Å; C1962-Y1964 HydrophobicContact CB-CD2 4.25Å; C1962-Y1964 HydrophobicContact CB-CE1 4.49Å; C1962-Y1964 HydrophobicContact CB-CE2 3.42Å; C1962-Y1964 VanDerWaalsContact CB-CE2 3.42Å |
| 1963 | S | 91.6 | Very high | 88.6 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 43% | 0.427 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 125 | 172 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | I1950 | I1950-S1963 CarbonylContact O-C 3.44Å; I1950-S1963 WeakPolarHBondContact O-CA 3.23Å |
| 1964 | Y | 90.8 | Very high | 88 | Confident | 42 Ų | 42 | 59.3 Ų | 59.3 | 17% | 0.165 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 116.6 | -172.4 | -56.8 | -72.8 | 0 | 0 | 0 | 109.9 | G1949 I1950 L1952 C1962 I1983 | G1949-Y1964 WeakPolarHBondContact CA-O 3.49Å; I1950-Y1964 PolarHBondContact N-O 2.95Å; I1950-Y1964 PolarHBondContact O-N 3.2Å; L1952-Y1964 HydrophobicContact CD1-CE2 4.06Å; L1952-Y1964 HydrophobicContact CG-CE2 4.33Å; C1962-Y1964 HydrophobicContact CB-CD2 4.25Å; C1962-Y1964 HydrophobicContact CB-CE1 4.49Å; C1962-Y1964 HydrophobicContact CB-CE2 3.42Å; C1962-Y1964 VanDerWaalsContact CB-CE2 3.42Å; Y1964-I1983 HydrophobicContact CD1-CD1 4.13Å; Y1964-I1983 HydrophobicContact CD1-CG2 3.6Å; Y1964-I1983 HydrophobicContact CD2-CD1 3.63Å; Y1964-I1983 HydrophobicContact CE1-CD1 4.05Å; Y1964-I1983 HydrophobicContact CE1-CG2 3.92Å; Y1964-I1983 HydrophobicContact CE2-CD1 3.53Å; Y1964-I1983 HydrophobicContact CG-CD1 3.91Å; Y1964-I1983 HydrophobicContact CG-CG2 4.07Å |
| 1965 | P | 91.5 | Very high | 87.2 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 29% | 0.286 | 33% | 0.325 | S | S | . | . | trans | -67.4 | 155.7 | 174.6 | 30.3 | -35.5 | 0 | 0 | 0 | 110.9 | T1967 E1968 | P1965-T1967 PolarHBondContact O-N 3.14Å; P1965-E1968 WeakPolarHBondContact CD-OE1 3.21Å; P1965-E1968 HydrophobicContact CG-CB 4.46Å; P1965-E1968 HydrophobicContact CG-CG 4Å; P1965-E1968 WeakPolarHBondContact CG-OE1 3.3Å; P1965-E1968 PolarHBondContact O-N 3.1Å | ||
| 1966 | Y | 90.9 | Very high | 86.3 | Confident | 28 Ų | 28 | 61 Ų | 61 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -58.6 | -21.6 | -179.9 | -69.4 | -66.2 | 0 | 0 | 0 | 114.2 | I1945 N1946 I1950 E1968 V1969 I2006 Y2009 I2010 F2013 | I1945-Y1966 WeakPolarHBondContact CG2-OH 3.44Å; N1946-Y1966 VanDerWaalsContact O-CE2 3.31Å; N1946-Y1966 WeakPolarHBondContact O-CE2 3.26Å; N1946-Y1966 PolarHBondContact O-OH 2.89Å; I1950-Y1966 HydrophobicContact CG1-CE1 4.42Å; Y1966-E1968 VanDerWaalsContact C-N 3.26Å; Y1966-E1968 PolarHBondContact O-N 2.86Å; Y1966-V1969 PolarHBondContact O-N 3.34Å; Y1966-I2006 HydrophobicContact CE1-CG1 4.48Å; Y1966-I2006 HydrophobicContact CE1-CG2 4.4Å; Y1966-Y2009 HydrophobicContact CE2-CD1 4.33Å; Y1966-Y2009 HydrophobicContact CE2-CG 4.03Å; Y1966-Y2009 VanDerWaalsContact CZ-CB 3.5Å; Y1966-Y2009 AromaticContact CZ-CG 3.84Å; Y1966-Y2009 WeakPolarHBondContact OH-CB 3.42Å; Y1966-Y2009 WeakPolarHBondContact OH-CD2 3.31Å; Y1966-I2010 HydrophobicContact CD1-CD1 3.97Å; Y1966-I2010 HydrophobicContact CD1-CG1 3.67Å; Y1966-I2010 HydrophobicContact CE1-CG1 4.4Å; Y1966-I2010 HydrophobicContact CG-CG1 4.01Å; Y1966-F2013 AromaticContact CD2-CD2 3.97Å; Y1966-F2013 HydrophobicContact CD2-CD2 3.97Å; Y1966-F2013 AromaticContact CD2-CE2 3.76Å; Y1966-F2013 HydrophobicContact CD2-CE2 3.76Å; Y1966-F2013 HydrophobicContact CE2-CD2 4.39Å; Y1966-F2013 AromaticContact CE2-CE2 3.85Å; Y1966-F2013 HydrophobicContact CE2-CE2 3.85Å |
| 1967 | T | 87.3 | Confident | 86.1 | Confident | 132 Ų | 132 | 58.8 Ų | 58.8 | 81% | 0.81 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -69.2 | -17.9 | 174.2 | 48.3 | 0 | 0 | 0 | 0 | 114.3 | P1965 | P1965-T1967 PolarHBondContact O-N 3.14Š|
| 1968 | E | 87.2 | Confident | 86.1 | Confident | 88 Ų | 88 | 61.7 Ų | 61.7 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -96.4 | -12 | 176.1 | -72 | 172.5 | -148.9 | 0 | 0 | 113 | P1965 Y1966 S1970 I1983 G1984 | P1965-E1968 WeakPolarHBondContact CD-OE1 3.21Å; P1965-E1968 HydrophobicContact CG-CB 4.46Å; P1965-E1968 HydrophobicContact CG-CG 4Å; P1965-E1968 WeakPolarHBondContact CG-OE1 3.3Å; P1965-E1968 PolarHBondContact O-N 3.1Å; Y1966-E1968 VanDerWaalsContact C-N 3.26Å; Y1966-E1968 PolarHBondContact O-N 2.86Å; E1968-S1970 PolarHBondContact O-N 3.04Å; E1968-I1983 HydrophobicContact CB-CG2 4.18Å; E1968-I1983 CarbonylContact O-C 3.51Å; E1968-I1983 WeakPolarHBondContact O-CA 3.31Å; E1968-G1984 PolarHBondContact O-N 3.44Å |
| 1969 | V | 88 | Confident | 86.2 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 102.8 | 178.9 | 176.9 | 0 | 0 | 0 | 0 | 109 | I1950 Y1966 W1972 L1981 | I1950-V1969 HydrophobicContact CD1-CG2 3.81Å; Y1966-V1969 PolarHBondContact O-N 3.34Å; V1969-W1972 HydrophobicContact CG1-CE3 3.58Å; V1969-W1972 HydrophobicContact CG1-CZ3 4.01Å; V1969-L1981 HydrophobicContact CG1-CD1 3.72Å; V1969-L1981 HydrophobicContact CG2-CD1 4.44Å |
| 1970 | S | 84.8 | Confident | 86.2 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 42% | 0.42 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -28.6 | -174.3 | 55.1 | 0 | 0 | 0 | 0 | 114 | E1968 M1982 G1984 | E1968-S1970 PolarHBondContact O-N 3.04Å; S1970-M1982 PolarHBondContact N-O 2.9Å; S1970-M1982 PolarHBondContact OG-O 3.17Å; S1970-G1984 WeakPolarHBondContact CB-O 3.39Å; S1970-G1984 PolarHBondContact OG-O 2.84Å |
| 1971 | N | 87.2 | Confident | 86.2 | Confident | 94 Ų | 94 | 54.2 Ų | 54.2 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 154.5 | 172 | -157 | -5.2 | 0 | 0 | 0 | 111.2 | M1982 | N1971-M1982 HydrophobicContact CB-CB 4.25Å; N1971-M1982 HydrophobicContact CB-CE 4.38Å; N1971-M1982 PolarHBondContact O-N 3.24Å |
| 1972 | W | 91.3 | Very high | 86 | Confident | 57 Ų | 57 | 52.6 Ų | 52.6 | 22% | 0.216 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 158.9 | 169.9 | 65.7 | 92.7 | 0 | 0 | 0 | 111 | V1969 F1979 H1980 L1981 D2003 I2006 T2007 I2010 | V1969-W1972 HydrophobicContact CG1-CE3 3.58Å; V1969-W1972 HydrophobicContact CG1-CZ3 4.01Å; W1972-F1979 HydrophobicContact CB-CE2 4.32Å; W1972-F1979 HydrophobicContact CB-CZ 3.92Å; W1972-F1979 HydrophobicContact CG-CZ 4.35Å; W1972-H1980 CarbonylContact C-O 3.35Å; W1972-H1980 WeakPolarHBondContact CA-O 3.09Å; W1972-L1981 HydrophobicContact CB-CD1 4.01Å; W1972-D2003 PolarHBondContact NE1-OD1 3.39Å; W1972-I2006 HydrophobicContact CD2-CG2 3.84Å; W1972-I2006 HydrophobicContact CE3-CG2 4.01Å; W1972-I2006 HydrophobicContact CG-CG2 4.5Å; W1972-I2006 HydrophobicContact CH2-CG2 4.07Å; W1972-I2006 HydrophobicContact CZ2-CG2 3.89Å; W1972-I2006 HydrophobicContact CZ3-CG2 4.12Å; W1972-T2007 WeakPolarHBondContact CZ2-OG1 3.29Å; W1972-I2010 HydrophobicContact CE3-CD1 4.5Å; W1972-I2010 HydrophobicContact CH2-CD1 3.5Å; W1972-I2010 HydrophobicContact CZ2-CD1 4.42Å; W1972-I2010 HydrophobicContact CZ3-CD1 3.54Å |
| 1973 | S | 86.4 | Confident | 85.8 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 153.7 | 170.5 | 62 | 0 | 0 | 0 | 0 | 111.8 | F1979 H1980 | S1973-F1979 WeakPolarHBondContact O-CD2 3.41Å; S1973-H1980 PolarHBondContact N-O 2.83Å; S1973-H1980 PolarHBondContact O-N 2.8Å |
| 1974 | S | 80.5 | Confident | 85.3 | Confident | 40 Ų | 40 | 50.4 Ų | 50.4 | 28% | 0.28 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 143.5 | 179.4 | 63.7 | 0 | 0 | 0 | 0 | 112.6 | G1999 D2003 | S1974-G1999 WeakPolarHBondContact CB-O 3.38Å; S1974-D2003 WeakPolarHBondContact CB-OD2 3.45Å; S1974-D2003 PolarHBondContact OG-OD2 3.06Å |
| 1975 | G | 71.9 | Confident | 84.1 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | trans | -120.2 | -173 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1977 Y1978 | G1975-T1977 VanDerWaalsContact C-N 3.33Å; G1975-Y1978 PolarHBondContact N-O 3.07Å | ||
| 1976 | S | 68.3 | Low | 82.4 | Confident | 99 Ų | 99 | 53.6 Ų | 53.6 | 69% | 0.692 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -70.5 | -27.5 | 175.6 | 48.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1977 | T | 78.1 | Confident | 80.7 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 47% | 0.466 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -132.1 | 1.4 | -176.4 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | G1975 E1995 T1996 | G1975-T1977 VanDerWaalsContact C-N 3.33Å; T1977-E1995 CarbonylContact O-C 3.5Å; T1977-E1995 WeakPolarHBondContact O-CA 3.49Å; T1977-T1996 CarbonylContact C-O 3.24Å; T1977-T1996 WeakPolarHBondContact CA-O 3.44Å; T1977-T1996 CarbonylContact O-C 3.59Å; T1977-T1996 PolarHBondContact O-N 2.87Å |
| 1978 | Y | 83.8 | Confident | 79.5 | Confident | 108 Ų | 108 | 57.5 Ų | 57.5 | 42% | 0.424 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 159.6 | -177.3 | 65 | -96.7 | 0 | 0 | 0 | 113.5 | G1975 C1994 T1996 | G1975-Y1978 PolarHBondContact N-O 3.07Å; Y1978-C1994 CarbonylContact C-O 3.55Å; Y1978-C1994 VanDerWaalsContact CA-O 3.22Å; Y1978-C1994 WeakPolarHBondContact CA-O 3.45Å; Y1978-T1996 PolarHBondContact N-O 3.38Å |
| 1979 | F | 90.6 | Very high | 78.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 136.9 | 167.7 | -176.9 | -102 | 0 | 0 | 0 | 108.6 | F1943 W1972 S1973 L1981 C1994 T1996 M2002 D2003 I2006 | F1943-F1979 HydrophobicContact CE1-CE1 4.48Å; F1943-F1979 HydrophobicContact CE2-CE1 4.34Å; F1943-F1979 HydrophobicContact CZ-CD1 4.38Å; F1943-F1979 AromaticContact CZ-CE1 3.8Å; F1943-F1979 HydrophobicContact CZ-CE1 3.8Å; W1972-F1979 HydrophobicContact CB-CE2 4.32Å; W1972-F1979 HydrophobicContact CB-CZ 3.92Å; W1972-F1979 HydrophobicContact CG-CZ 4.35Å; S1973-F1979 WeakPolarHBondContact O-CD2 3.41Å; F1979-L1981 HydrophobicContact CE1-CB 4.01Å; F1979-C1994 HydrophobicContact CB-CB 4.46Å; F1979-C1994 PolarHBondContact N-O 3.21Å; F1979-C1994 WeakPolarHBondContact O-CB 3.27Å; F1979-C1994 PolarHBondContact O-N 3.03Å; F1979-T1996 HydrophobicContact CB-CG2 3.86Å; F1979-M2002 HydrophobicContact CB-SD 3.89Å; F1979-M2002 HydrophobicContact CD1-CE 4.26Å; F1979-M2002 HydrophobicContact CD1-SD 4.05Å; F1979-M2002 HydrophobicContact CD2-CB 4.01Å; F1979-M2002 HydrophobicContact CD2-SD 4.2Å; F1979-M2002 HydrophobicContact CE2-CB 3.87Å; F1979-M2002 HydrophobicContact CG-CB 4.42Å; F1979-M2002 HydrophobicContact CG-SD 3.77Å; F1979-M2002 HydrophobicContact CZ-CB 4.17Å; F1979-D2003 HydrophobicContact CE2-CB 4.38Å; F1979-I2006 HydrophobicContact CE1-CD1 4.33Å; F1979-I2006 HydrophobicContact CE2-CD1 4.44Å; F1979-I2006 HydrophobicContact CZ-CD1 3.61Å |
| 1980 | H | 89 | Confident | 77.8 | Confident | 33 Ų | 33 | 57.2 Ų | 57.2 | 15% | 0.153 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.5 | -177 | -173.9 | -122.1 | 0 | 0 | 0 | 109.6 | W1972 S1973 | W1972-H1980 CarbonylContact C-O 3.35Å; W1972-H1980 WeakPolarHBondContact CA-O 3.09Å; S1973-H1980 PolarHBondContact N-O 2.83Å; S1973-H1980 PolarHBondContact O-N 2.8Å |
| 1981 | L | 90.8 | Very high | 77.8 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134.5 | -174.6 | -178.6 | 68.9 | 0 | 0 | 0 | 109.9 | F1943 I1950 V1969 W1972 F1979 I1983 R1991 L1992 | F1943-L1981 HydrophobicContact CE2-CD2 4.07Å; F1943-L1981 HydrophobicContact CZ-CD2 4.01Å; I1950-L1981 HydrophobicContact CD1-CD1 4Å; I1950-L1981 HydrophobicContact CD1-CD2 3.94Å; I1950-L1981 HydrophobicContact CG2-CD2 4.33Å; V1969-L1981 HydrophobicContact CG1-CD1 3.72Å; V1969-L1981 HydrophobicContact CG2-CD1 4.44Å; W1972-L1981 HydrophobicContact CB-CD1 4.01Å; F1979-L1981 HydrophobicContact CE1-CB 4.01Å; L1981-I1983 HydrophobicContact CD2-CD1 3.84Å; L1981-I1983 HydrophobicContact CD2-CG1 3.98Å; L1981-I1983 HydrophobicContact CG-CD1 4.31Å; L1981-I1983 HydrophobicContact CG-CG1 3.92Å; L1981-R1991 WeakPolarHBondContact O-CA 3.31Å; L1981-L1992 HydrophobicContact CB-CB 4.39Å; L1981-L1992 PolarHBondContact N-O 3.43Å; L1981-L1992 PolarHBondContact O-N 3.04Å |
| 1982 | M | 87.5 | Confident | 77.8 | Confident | 32 Ų | 32 | 57.3 Ų | 57.3 | 16% | 0.158 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.1 | 174.7 | -155.6 | -179.4 | -46.4 | 0 | 0 | 109.7 | S1970 N1971 R1991 | S1970-M1982 PolarHBondContact N-O 2.9Å; S1970-M1982 PolarHBondContact OG-O 3.17Å; N1971-M1982 HydrophobicContact CB-CB 4.25Å; N1971-M1982 HydrophobicContact CB-CE 4.38Å; N1971-M1982 PolarHBondContact O-N 3.24Å; M1982-R1991 HydrophobicContact CG-CG 4.23Å |
| 1983 | I | 85.2 | Confident | 77.6 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 5% | 0.051 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129 | -171.6 | -48.2 | 178.1 | 0 | 0 | 0 | 109.1 | Y1964 E1968 L1981 G1989 T1990 | Y1964-I1983 HydrophobicContact CD1-CD1 4.13Å; Y1964-I1983 HydrophobicContact CD1-CG2 3.6Å; Y1964-I1983 HydrophobicContact CD2-CD1 3.63Å; Y1964-I1983 HydrophobicContact CE1-CD1 4.05Å; Y1964-I1983 HydrophobicContact CE1-CG2 3.92Å; Y1964-I1983 HydrophobicContact CE2-CD1 3.53Å; Y1964-I1983 HydrophobicContact CG-CD1 3.91Å; Y1964-I1983 HydrophobicContact CG-CG2 4.07Å; E1968-I1983 HydrophobicContact CB-CG2 4.18Å; E1968-I1983 CarbonylContact O-C 3.51Å; E1968-I1983 WeakPolarHBondContact O-CA 3.31Å; L1981-I1983 HydrophobicContact CD2-CD1 3.84Å; L1981-I1983 HydrophobicContact CD2-CG1 3.98Å; L1981-I1983 HydrophobicContact CG-CD1 4.31Å; L1981-I1983 HydrophobicContact CG-CG1 3.92Å; I1983-G1989 CarbonylContact O-C 3.53Å; I1983-G1989 WeakPolarHBondContact O-CA 3.28Å; I1983-T1990 PolarHBondContact N-O 3.22Å; I1983-T1990 PolarHBondContact O-N 2.92Å |
| 1984 | G | 79.6 | Confident | 77.7 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 33% | 0.33 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 83.1 | -168.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1968 S1970 | E1968-G1984 PolarHBondContact O-N 3.44Å; S1970-G1984 WeakPolarHBondContact CB-O 3.39Å; S1970-G1984 PolarHBondContact OG-O 2.84Å |
| 1985 | S | 65.8 | Low | 78 | Confident | 60 Ų | 60 | 59.4 Ų | 59.4 | 42% | 0.42 | 35% | 0.354 | S | S | . | . | trans | -64 | 150.4 | -171.3 | 94.2 | 0 | 0 | 0 | 0 | 113.2 | V1987 S1988 G1989 | S1985-V1987 PolarHBondContact O-N 3.11Å; S1985-V1987 PolarHBondContact OG-N 2.83Å; S1985-S1988 PolarHBondContact O-N 3.49Å; S1985-S1988 VanDerWaalsContact O-N 3.15Å; S1985-S1988 PolarHBondContact OG-N 3.49Å; S1985-S1988 VanDerWaalsContact OG-N 3.15Å; S1985-S1988 PolarHBondContact OG-OG 3.32Å; S1985-G1989 WeakPolarHBondContact O-CA 3.38Å; S1985-G1989 PolarHBondContact O-N 3.47Å | ||
| 1986 | A | 56.1 | Low | 78.7 | Confident | 94 Ų | 94 | 59.4 Ų | 59.4 | 78% | 0.777 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -8.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1987 | V | 56.3 | Low | 79.1 | Confident | 145 Ų | 145 | 59 Ų | 59 | 88% | 0.879 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -20.2 | -179.8 | -169.9 | 0 | 0 | 0 | 0 | 112.1 | S1985 | S1985-V1987 PolarHBondContact O-N 3.11Å; S1985-V1987 PolarHBondContact OG-N 2.83Å |
| 1988 | S | 61.9 | Low | 79.3 | Confident | 97 Ų | 97 | 56.6 Ų | 56.6 | 68% | 0.678 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.8 | 13.2 | -171.7 | 72.9 | 0 | 0 | 0 | 0 | 113.7 | S1985 | S1985-S1988 PolarHBondContact O-N 3.49Å; S1985-S1988 VanDerWaalsContact O-N 3.15Å; S1985-S1988 PolarHBondContact OG-N 3.49Å; S1985-S1988 VanDerWaalsContact OG-N 3.15Å; S1985-S1988 PolarHBondContact OG-OG 3.32Å |
| 1989 | G | 63.8 | Low | 79.2 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 27% | 0.268 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 143 | -167 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1983 S1985 | I1983-G1989 CarbonylContact O-C 3.53Å; I1983-G1989 WeakPolarHBondContact O-CA 3.28Å; S1985-G1989 WeakPolarHBondContact O-CA 3.38Å; S1985-G1989 PolarHBondContact O-N 3.47Å |
| 1990 | T | 74.9 | Confident | 78.7 | Confident | 71 Ų | 71 | 55.6 Ų | 55.6 | 44% | 0.436 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 126.9 | 176.5 | -47.7 | 0 | 0 | 0 | 0 | 109.1 | I1934 I1983 | I1934-T1990 HydrophobicContact CD1-CG2 3.51Å; I1934-T1990 HydrophobicContact CG1-CG2 4.12Å; I1983-T1990 PolarHBondContact N-O 3.22Å; I1983-T1990 PolarHBondContact O-N 2.92Å |
| 1991 | R | 84 | Confident | 78.4 | Confident | 154 Ų | 154 | 55.2 Ų | 55.2 | 58% | 0.581 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124.8 | 170.9 | -75.3 | -177.9 | 176.5 | -166.9 | 2.2 | 110 | L1981 M1982 | L1981-R1991 WeakPolarHBondContact O-CA 3.31Å; M1982-R1991 HydrophobicContact CG-CG 4.23Å |
| 1992 | L | 87.2 | Confident | 78.4 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 119.4 | 167.9 | -173.7 | 81.9 | 0 | 0 | 0 | 108 | Q1931 I1934 L1937 F1943 L1952 L1981 | Q1931-L1992 HydrophobicContact CB-CD1 4.18Å; Q1931-L1992 HydrophobicContact CG-CD1 4.32Å; I1934-L1992 HydrophobicContact CD1-CB 4.33Å; I1934-L1992 HydrophobicContact CD1-CD1 3.62Å; I1934-L1992 HydrophobicContact CG1-CD1 4.1Å; L1937-L1992 HydrophobicContact CD1-CD1 4.34Å; F1943-L1992 HydrophobicContact CD2-CD2 4.32Å; F1943-L1992 HydrophobicContact CE2-CD2 3.96Å; L1952-L1992 HydrophobicContact CD1-CD1 4.22Å; L1952-L1992 HydrophobicContact CD1-CD2 4.03Å; L1952-L1992 HydrophobicContact CD2-CD2 3.88Å; L1981-L1992 HydrophobicContact CB-CB 4.39Å; L1981-L1992 PolarHBondContact N-O 3.43Å; L1981-L1992 PolarHBondContact O-N 3.04Å |
| 1993 | L | 87.5 | Confident | 78.4 | Confident | 76 Ų | 76 | 55.6 Ų | 55.6 | 40% | 0.398 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.4 | 177.9 | -161.2 | 150.3 | 0 | 0 | 0 | 108.8 | Q1931 T1932 | Q1931-L1993 WeakPolarHBondContact CA-O 3.38Å; T1932-L1993 PolarHBondContact N-O 2.82Å; T1932-L1993 WeakPolarHBondContact OG1-CD2 3.34Å |
| 1994 | C | 88.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 128.8 | -169.8 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | I1929 K1930 Y1978 F1979 | I1929-C1994 HydrophobicContact CB-CB 4.49Å; I1929-C1994 HydrophobicContact CD1-CB 4.14Å; I1929-C1994 VanDerWaalsContact CD1-SG 3.52Å; K1930-C1994 CarbonylContact O-C 3.59Å; K1930-C1994 WeakPolarHBondContact O-CA 3.4Å; Y1978-C1994 CarbonylContact C-O 3.55Å; Y1978-C1994 VanDerWaalsContact CA-O 3.22Å; Y1978-C1994 WeakPolarHBondContact CA-O 3.45Å; F1979-C1994 HydrophobicContact CB-CB 4.46Å; F1979-C1994 PolarHBondContact N-O 3.21Å; F1979-C1994 WeakPolarHBondContact O-CB 3.27Å; F1979-C1994 PolarHBondContact O-N 3.03Å |
| 1995 | E | 87.8 | Confident | 78.9 | Confident | 118 Ų | 118 | 56.9 Ų | 56.9 | 55% | 0.551 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 119.6 | 168.1 | -170 | -179.8 | -151.7 | 0 | 0 | 109.3 | K1930 T1977 | K1930-E1995 HydrophobicContact CB-CB 4.33Å; K1930-E1995 PolarHBondContact N-O 2.95Å; K1930-E1995 PolarHBondContact O-N 3.46Å; T1977-E1995 CarbonylContact O-C 3.5Å; T1977-E1995 WeakPolarHBondContact O-CA 3.49Å |
| 1996 | T | 86.1 | Confident | 80 | Confident | 15 Ų | 15 | 54 Ų | 54 | 9% | 0.092 | 30% | 0.304 | C | S | . | . | trans | -168.3 | 138.8 | 178.3 | -177.3 | 0 | 0 | 0 | 0 | 112.5 | I1929 T1977 Y1978 F1979 M1998 M2002 | I1929-T1996 HydrophobicContact CG2-CG2 4.2Å; T1977-T1996 CarbonylContact C-O 3.24Å; T1977-T1996 WeakPolarHBondContact CA-O 3.44Å; T1977-T1996 CarbonylContact O-C 3.59Å; T1977-T1996 PolarHBondContact O-N 2.87Å; Y1978-T1996 PolarHBondContact N-O 3.38Å; F1979-T1996 HydrophobicContact CB-CG2 3.86Å; T1996-M1998 PolarHBondContact O-N 2.83Å; T1996-M1998 PolarHBondContact OG1-N 3.4Å; T1996-M2002 HydrophobicContact CG2-SD 3.77Å | ||
| 1997 | T | 76.6 | Confident | 81.6 | Confident | 92 Ų | 92 | 52.1 Ų | 52.1 | 56% | 0.564 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 0.8 | 173.5 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | Y2000 | T1997-Y2000 WeakPolarHBondContact O-CE1 3.18Š|
| 1998 | M | 81.7 | Confident | 83.2 | Confident | 25 Ų | 25 | 46.4 Ų | 46.4 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 8.4 | -178.9 | -64.5 | -75.4 | 93 | 0 | 0 | 113.6 | F1927 T1996 Y2000 K2001 M2002 | F1927-M1998 HydrophobicContact CD1-CB 3.83Å; F1927-M1998 HydrophobicContact CD1-CG 4.48Å; F1927-M1998 HydrophobicContact CE1-CB 4.17Å; T1996-M1998 PolarHBondContact O-N 2.83Å; T1996-M1998 PolarHBondContact OG1-N 3.4Å; M1998-Y2000 VanDerWaalsContact C-N 3.28Å; M1998-Y2000 HydrophobicContact CE-CE1 4.09Å; M1998-Y2000 PolarHBondContact O-N 3.16Å; M1998-Y2000 VanDerWaalsContact O-N 3.14Å; M1998-K2001 WeakPolarHBondContact O-CB 3.32Å; M1998-K2001 PolarHBondContact O-N 3.18Å; M1998-K2001 HydrophobicContact SD-CD 3.75Å; M1998-K2001 VanDerWaalsContact SD-CE 3.53Å; M1998-K2001 PolarHBondContact SD-NZ 2.87Å; M1998-K2001 VanDerWaalsContact SD-NZ 3.37Å; M1998-M2002 PolarHBondContact O-N 3.41Å |
| 1999 | G | 82.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -50.3 | -43 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1974 K2001 M2002 D2003 | S1974-G1999 WeakPolarHBondContact CB-O 3.38Å; G1999-K2001 PolarHBondContact O-N 2.82Å; G1999-M2002 WeakPolarHBondContact O-CB 3.37Å; G1999-M2002 PolarHBondContact O-N 2.75Å; G1999-D2003 WeakPolarHBondContact O-CB 3.24Å; G1999-D2003 PolarHBondContact O-N 3.16Å |
| 2000 | Y | 80.4 | Confident | 85.8 | Confident | 86 Ų | 86 | 42.1 Ų | 42.1 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.4 | -25.3 | 177.9 | 70.6 | -89.5 | 0 | 0 | 0 | 114.2 | F1769 T1997 M1998 D2004 | F1769-Y2000 AromaticContact CD1-CE2 3.9Å; F1769-Y2000 HydrophobicContact CD1-CE2 3.9Å; F1769-Y2000 AromaticContact CE1-CE2 3.88Å; F1769-Y2000 HydrophobicContact CE1-CE2 3.88Å; T1997-Y2000 WeakPolarHBondContact O-CE1 3.18Å; M1998-Y2000 VanDerWaalsContact C-N 3.28Å; M1998-Y2000 HydrophobicContact CE-CE1 4.09Å; M1998-Y2000 PolarHBondContact O-N 3.16Å; M1998-Y2000 VanDerWaalsContact O-N 3.14Å; Y2000-D2004 WeakPolarHBondContact O-CB 3.23Å; Y2000-D2004 PolarHBondContact O-N 2.89Å; Y2000-D2004 VanDerWaalsContact O-N 3.14Å |
| 2001 | K | 83.2 | Confident | 86.3 | Confident | 26 Ų | 26 | 41.8 Ų | 41.8 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -79.9 | -34.7 | 174 | -62.8 | -170.9 | -175.1 | 175.6 | 0 | 112 | A1765 V1768 F1927 M1998 G1999 D2003 L2005 | A1765-K2001 PolarHBondContact O-NZ 3.04Å; V1768-K2001 WeakPolarHBondContact O-CE 3.43Å; F1927-K2001 HydrophobicContact CE1-CB 3.82Å; F1927-K2001 HydrophobicContact CE1-CD 4.47Å; F1927-K2001 HydrophobicContact CZ-CB 4.13Å; M1998-K2001 WeakPolarHBondContact O-CB 3.32Å; M1998-K2001 PolarHBondContact O-N 3.18Å; M1998-K2001 HydrophobicContact SD-CD 3.75Å; M1998-K2001 VanDerWaalsContact SD-CE 3.53Å; M1998-K2001 PolarHBondContact SD-NZ 2.87Å; M1998-K2001 VanDerWaalsContact SD-NZ 3.37Å; G1999-K2001 PolarHBondContact O-N 2.82Å; K2001-D2003 VanDerWaalsContact C-N 3.33Å; K2001-L2005 WeakPolarHBondContact O-CB 3.38Å; K2001-L2005 PolarHBondContact O-N 2.87Å |
| 2002 | M | 89.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 176.3 | -54.1 | 167.1 | 100.1 | 0 | 0 | 108.9 | F1927 I1929 F1943 I1945 F1979 T1996 M1998 G1999 L2005 I2006 | F1927-M2002 HydrophobicContact CB-CE 3.89Å; F1927-M2002 HydrophobicContact CD1-CG 3.88Å; F1927-M2002 HydrophobicContact CD2-CE 4.14Å; F1927-M2002 HydrophobicContact CD2-CG 3.89Å; F1927-M2002 HydrophobicContact CE1-CG 3.86Å; F1927-M2002 HydrophobicContact CE2-CG 3.88Å; F1927-M2002 HydrophobicContact CG-CE 4.04Å; F1927-M2002 HydrophobicContact CG-CG 3.88Å; F1927-M2002 HydrophobicContact CG-SD 4.42Å; F1927-M2002 HydrophobicContact CZ-CG 3.85Å; I1929-M2002 HydrophobicContact CG2-CE 3.81Å; F1943-M2002 HydrophobicContact CB-CE 3.8Å; F1943-M2002 HydrophobicContact CD1-CE 3.34Å; F1943-M2002 HydrophobicContact CD2-CE 4.02Å; F1943-M2002 HydrophobicContact CE1-CE 3.74Å; F1943-M2002 HydrophobicContact CE2-CE 4.38Å; F1943-M2002 HydrophobicContact CG-CE 3.47Å; F1943-M2002 VanDerWaalsContact CG-CE 3.47Å; F1943-M2002 HydrophobicContact CZ-CE 4.23Å; I1945-M2002 HydrophobicContact CD1-CB 4Å; I1945-M2002 HydrophobicContact CD1-CG 4.43Å; F1979-M2002 HydrophobicContact CB-SD 3.89Å; F1979-M2002 HydrophobicContact CD1-CE 4.26Å; F1979-M2002 HydrophobicContact CD1-SD 4.05Å; F1979-M2002 HydrophobicContact CD2-CB 4.01Å; F1979-M2002 HydrophobicContact CD2-SD 4.2Å; F1979-M2002 HydrophobicContact CE2-CB 3.87Å; F1979-M2002 HydrophobicContact CG-CB 4.42Å; F1979-M2002 HydrophobicContact CG-SD 3.77Å; F1979-M2002 HydrophobicContact CZ-CB 4.17Å; T1996-M2002 HydrophobicContact CG2-SD 3.77Å; M1998-M2002 PolarHBondContact O-N 3.41Å; G1999-M2002 WeakPolarHBondContact O-CB 3.37Å; G1999-M2002 PolarHBondContact O-N 2.75Å; M2002-L2005 PolarHBondContact O-N 3.06Å; M2002-I2006 WeakPolarHBondContact O-CB 3.27Å; M2002-I2006 WeakPolarHBondContact O-CD1 3.35Å; M2002-I2006 VanDerWaalsContact O-CG1 3.26Å; M2002-I2006 WeakPolarHBondContact O-CG1 3.3Å; M2002-I2006 PolarHBondContact O-N 2.96Å |
| 2003 | D | 86.9 | Confident | 86.3 | Confident | 39 Ų | 39 | 39.2 Ų | 39.2 | 21% | 0.209 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.3 | -54 | 174 | -165.4 | -15.3 | 0 | 0 | 0 | 112.5 | W1972 S1974 F1979 G1999 K2001 L2005 I2006 T2007 | W1972-D2003 PolarHBondContact NE1-OD1 3.39Å; S1974-D2003 WeakPolarHBondContact CB-OD2 3.45Å; S1974-D2003 PolarHBondContact OG-OD2 3.06Å; F1979-D2003 HydrophobicContact CE2-CB 4.38Å; G1999-D2003 WeakPolarHBondContact O-CB 3.24Å; G1999-D2003 PolarHBondContact O-N 3.16Å; K2001-D2003 VanDerWaalsContact C-N 3.33Å; D2003-L2005 VanDerWaalsContact C-N 3.3Å; D2003-L2005 PolarHBondContact O-N 2.89Å; D2003-I2006 PolarHBondContact O-N 3.18Å; D2003-T2007 VanDerWaalsContact O-CB 3.23Å; D2003-T2007 WeakPolarHBondContact O-CB 3.48Å; D2003-T2007 PolarHBondContact O-N 3.38Å; D2003-T2007 PolarHBondContact O-OG1 2.94Å; D2003-T2007 PolarHBondContact OD1-OG1 2.8Å |
| 2004 | D | 86.3 | Confident | 86 | Confident | 57 Ų | 57 | 40.5 Ų | 40.5 | 31% | 0.305 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.8 | -40.1 | 174.9 | 171.1 | 53.1 | 0 | 0 | 0 | 112.6 | S1770 K1809 Y2000 S2008 | S1770-D2004 VanDerWaalsContact CB-OD2 3.28Å; S1770-D2004 WeakPolarHBondContact CB-OD2 3.4Å; K1809-D2004 WeakPolarHBondContact CE-OD2 3.47Å; K1809-D2004 IonicContact NZ-OD1 2.71Å; K1809-D2004 PolarHBondContact NZ-OD1 3.03Å; K1809-D2004 IonicContact NZ-OD2 3.54Å; K1809-D2004 PolarHBondContact NZ-OD2 2.92Å; Y2000-D2004 WeakPolarHBondContact O-CB 3.23Å; Y2000-D2004 PolarHBondContact O-N 2.89Å; Y2000-D2004 VanDerWaalsContact O-N 3.14Å; D2004-S2008 WeakPolarHBondContact O-CB 3.35Å; D2004-S2008 PolarHBondContact O-N 2.86Å; D2004-S2008 PolarHBondContact O-OG 3.17Å |
| 2005 | L | 89.2 | Confident | 85.5 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.8 | -45.1 | 179.9 | -137.1 | 87.3 | 0 | 0 | 0 | 112.5 | K1809 V1925 I1945 K2001 M2002 D2003 S2008 Y2009 | K1809-L2005 HydrophobicContact CG-CD1 4.09Å; V1925-L2005 HydrophobicContact CB-CD2 3.73Å; V1925-L2005 HydrophobicContact CG2-CD1 4.18Å; V1925-L2005 HydrophobicContact CG2-CD2 3.57Å; I1945-L2005 HydrophobicContact CB-CD2 3.82Å; I1945-L2005 HydrophobicContact CD1-CB 4.47Å; I1945-L2005 HydrophobicContact CG2-CD2 3.85Å; K2001-L2005 WeakPolarHBondContact O-CB 3.38Å; K2001-L2005 PolarHBondContact O-N 2.87Å; M2002-L2005 PolarHBondContact O-N 3.06Å; D2003-L2005 VanDerWaalsContact C-N 3.3Å; D2003-L2005 PolarHBondContact O-N 2.89Å; L2005-S2008 PolarHBondContact O-N 2.91Å; L2005-Y2009 HydrophobicContact CD2-CD2 4.4Å; L2005-Y2009 HydrophobicContact CD2-CE2 3.96Å; L2005-Y2009 HydrophobicContact CG-CD2 4.35Å; L2005-Y2009 HydrophobicContact CG-CE2 4.22Å; L2005-Y2009 WeakPolarHBondContact O-CD2 3.38Å; L2005-Y2009 PolarHBondContact O-N 2.8Å |
| 2006 | I | 90.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -49 | 178 | -70.4 | 162.4 | 0 | 0 | 0 | 109.5 | I1945 I1950 Y1966 W1972 F1979 M2002 D2003 S2008 Y2009 I2010 | I1945-I2006 HydrophobicContact CD1-CD1 4.12Å; I1945-I2006 HydrophobicContact CD1-CG1 4.04Å; I1945-I2006 HydrophobicContact CG2-CG1 4.14Å; I1950-I2006 HydrophobicContact CD1-CD1 3.7Å; I1950-I2006 HydrophobicContact CD1-CG1 4.1Å; I1950-I2006 HydrophobicContact CG1-CD1 4.46Å; I1950-I2006 HydrophobicContact CG1-CG1 4.5Å; Y1966-I2006 HydrophobicContact CE1-CG1 4.48Å; Y1966-I2006 HydrophobicContact CE1-CG2 4.4Å; W1972-I2006 HydrophobicContact CD2-CG2 3.84Å; W1972-I2006 HydrophobicContact CE3-CG2 4.01Å; W1972-I2006 HydrophobicContact CG-CG2 4.5Å; W1972-I2006 HydrophobicContact CH2-CG2 4.07Å; W1972-I2006 HydrophobicContact CZ2-CG2 3.89Å; W1972-I2006 HydrophobicContact CZ3-CG2 4.12Å; F1979-I2006 HydrophobicContact CE1-CD1 4.33Å; F1979-I2006 HydrophobicContact CE2-CD1 4.44Å; F1979-I2006 HydrophobicContact CZ-CD1 3.61Å; M2002-I2006 WeakPolarHBondContact O-CB 3.27Å; M2002-I2006 WeakPolarHBondContact O-CD1 3.35Å; M2002-I2006 VanDerWaalsContact O-CG1 3.26Å; M2002-I2006 WeakPolarHBondContact O-CG1 3.3Å; M2002-I2006 PolarHBondContact O-N 2.96Å; D2003-I2006 PolarHBondContact O-N 3.18Å; I2006-S2008 VanDerWaalsContact C-N 3.27Å; I2006-S2008 PolarHBondContact O-N 2.7Å; I2006-Y2009 PolarHBondContact O-N 2.9Å; I2006-I2010 HydrophobicContact CG2-CD1 3.62Å; I2006-I2010 HydrophobicContact CG2-CG1 4.42Å; I2006-I2010 WeakPolarHBondContact O-CB 3.27Å; I2006-I2010 WeakPolarHBondContact O-CG1 3.4Å; I2006-I2010 PolarHBondContact O-N 2.95Å |
| 2007 | T | 89.6 | Confident | 84.2 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 33% | 0.331 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.7 | -42.1 | 174 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | W1972 D2003 S2011 | W1972-T2007 WeakPolarHBondContact CZ2-OG1 3.29Å; D2003-T2007 VanDerWaalsContact O-CB 3.23Å; D2003-T2007 WeakPolarHBondContact O-CB 3.48Å; D2003-T2007 PolarHBondContact O-N 3.38Å; D2003-T2007 PolarHBondContact O-OG1 2.94Å; D2003-T2007 PolarHBondContact OD1-OG1 2.8Å; T2007-S2011 WeakPolarHBondContact O-CB 3.45Å; T2007-S2011 PolarHBondContact O-N 3.48Å; T2007-S2011 PolarHBondContact O-OG 3.47Å |
| 2008 | S | 88 | Confident | 82.7 | Confident | 25 Ų | 25 | 50 Ų | 50 | 18% | 0.175 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 179.1 | -62.8 | 0 | 0 | 0 | 0 | 113.3 | K1809 D2004 L2005 I2006 H2012 | K1809-S2008 VanDerWaalsContact CE-OG 3.29Å; K1809-S2008 WeakPolarHBondContact CE-OG 3.41Å; K1809-S2008 PolarHBondContact NZ-OG 3.12Å; D2004-S2008 WeakPolarHBondContact O-CB 3.35Å; D2004-S2008 PolarHBondContact O-N 2.86Å; D2004-S2008 PolarHBondContact O-OG 3.17Å; L2005-S2008 PolarHBondContact O-N 2.91Å; I2006-S2008 VanDerWaalsContact C-N 3.27Å; I2006-S2008 PolarHBondContact O-N 2.7Å; S2008-H2012 VanDerWaalsContact O-CB 3.32Å; S2008-H2012 WeakPolarHBondContact O-CB 3.41Å; S2008-H2012 PolarHBondContact O-N 3.38Å; S2008-H2012 VanDerWaalsContact O-N 3.09Å |
| 2009 | Y | 91.2 | Very high | 82.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.8 | -46.2 | 175.5 | -87.1 | -72.6 | 0 | 0 | 0 | 111.6 | L1810 W1811 I1945 K1947 Y1966 L2005 I2006 H2012 F2013 | L1810-Y2009 HydrophobicContact CB-CE1 4.05Å; L1810-Y2009 HydrophobicContact CD2-CD1 3.88Å; L1810-Y2009 HydrophobicContact CD2-CD2 3.62Å; L1810-Y2009 HydrophobicContact CD2-CE1 3.91Å; L1810-Y2009 HydrophobicContact CD2-CE2 3.66Å; L1810-Y2009 HydrophobicContact CD2-CG 3.74Å; W1811-Y2009 PolarHBondContact N-OH 3.21Å; I1945-Y2009 HydrophobicContact CG2-CD2 4.33Å; K1947-Y2009 HydrophobicContact CB-CE1 4.15Å; Y1966-Y2009 HydrophobicContact CE2-CD1 4.33Å; Y1966-Y2009 HydrophobicContact CE2-CG 4.03Å; Y1966-Y2009 VanDerWaalsContact CZ-CB 3.5Å; Y1966-Y2009 AromaticContact CZ-CG 3.84Å; Y1966-Y2009 WeakPolarHBondContact OH-CB 3.42Å; Y1966-Y2009 WeakPolarHBondContact OH-CD2 3.31Å; L2005-Y2009 HydrophobicContact CD2-CD2 4.4Å; L2005-Y2009 HydrophobicContact CD2-CE2 3.96Å; L2005-Y2009 HydrophobicContact CG-CD2 4.35Å; L2005-Y2009 HydrophobicContact CG-CE2 4.22Å; L2005-Y2009 WeakPolarHBondContact O-CD2 3.38Å; L2005-Y2009 PolarHBondContact O-N 2.8Å; I2006-Y2009 PolarHBondContact O-N 2.9Å; Y2009-H2012 PolarHBondContact O-N 3.25Å; Y2009-F2013 AromaticContact CD1-CE2 3.96Å; Y2009-F2013 HydrophobicContact CD1-CE2 3.96Å; Y2009-F2013 HydrophobicContact CD1-CZ 4.5Å; Y2009-F2013 WeakPolarHBondContact O-CD2 3.45Å; Y2009-F2013 PolarHBondContact O-N 3.03Å |
| 2010 | I | 89.2 | Confident | 82.7 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 179 | -70.4 | 173.5 | 0 | 0 | 0 | 110.8 | Y1966 W1972 I2006 H2012 F2013 L2014 | Y1966-I2010 HydrophobicContact CD1-CD1 3.97Å; Y1966-I2010 HydrophobicContact CD1-CG1 3.67Å; Y1966-I2010 HydrophobicContact CE1-CG1 4.4Å; Y1966-I2010 HydrophobicContact CG-CG1 4.01Å; W1972-I2010 HydrophobicContact CE3-CD1 4.5Å; W1972-I2010 HydrophobicContact CH2-CD1 3.5Å; W1972-I2010 HydrophobicContact CZ2-CD1 4.42Å; W1972-I2010 HydrophobicContact CZ3-CD1 3.54Å; I2006-I2010 HydrophobicContact CG2-CD1 3.62Å; I2006-I2010 HydrophobicContact CG2-CG1 4.42Å; I2006-I2010 WeakPolarHBondContact O-CB 3.27Å; I2006-I2010 WeakPolarHBondContact O-CG1 3.4Å; I2006-I2010 PolarHBondContact O-N 2.95Å; I2010-H2012 VanDerWaalsContact C-N 3.25Å; I2010-H2012 PolarHBondContact O-N 2.81Å; I2010-F2013 PolarHBondContact O-N 2.77Å; I2010-L2014 HydrophobicContact CG2-CD1 3.83Å; I2010-L2014 HydrophobicContact CG2-CG 4.38Å; I2010-L2014 WeakPolarHBondContact O-CB 3.48Å; I2010-L2014 VanDerWaalsContact O-CG 3.31Å; I2010-L2014 WeakPolarHBondContact O-CG 3.44Å; I2010-L2014 PolarHBondContact O-N 2.95Å |
| 2011 | S | 85.7 | Confident | 82.9 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.6 | -34.8 | 176.1 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | T2007 A2015 | T2007-S2011 WeakPolarHBondContact O-CB 3.45Å; T2007-S2011 PolarHBondContact O-N 3.48Å; T2007-S2011 PolarHBondContact O-OG 3.47Å; S2011-A2015 VanDerWaalsContact O-CB 3.25Å; S2011-A2015 WeakPolarHBondContact O-CB 3.18Å; S2011-A2015 PolarHBondContact O-N 2.83Å |
| 2012 | H | 86.9 | Confident | 82.9 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 10% | 0.102 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.8 | -46.3 | 175.8 | 176.2 | 20.6 | 0 | 0 | 0 | 112.3 | K1738 L1810 V1812 S2008 Y2009 I2010 L2014 A2015 D2016 | K1738-H2012 VanDerWaalsContact CE-CE1 3.49Å; K1738-H2012 WeakPolarHBondContact CE-CE1 3.26Å; L1810-H2012 HydrophobicContact CD1-CB 3.82Å; V1812-H2012 WeakPolarHBondContact CG2-NE2 3.29Å; S2008-H2012 VanDerWaalsContact O-CB 3.32Å; S2008-H2012 WeakPolarHBondContact O-CB 3.41Å; S2008-H2012 PolarHBondContact O-N 3.38Å; S2008-H2012 VanDerWaalsContact O-N 3.09Å; Y2009-H2012 PolarHBondContact O-N 3.25Å; I2010-H2012 VanDerWaalsContact C-N 3.25Å; I2010-H2012 PolarHBondContact O-N 2.81Å; H2012-L2014 VanDerWaalsContact C-N 3.31Å; H2012-L2014 PolarHBondContact O-N 2.96Å; H2012-A2015 CarbonylContact O-C 3.59Å; H2012-A2015 PolarHBondContact O-N 3Å; H2012-D2016 IonicContact CE1-OD1 3.2Å; H2012-D2016 IonicContact CE1-OD2 3.79Å; H2012-D2016 PolarHBondContact CE1-OD2 3.1Å; H2012-D2016 VanDerWaalsContact CE1-OD2 3.31Å; H2012-D2016 IonicContact ND1-OD1 3.33Å; H2012-D2016 PolarHBondContact O-N 2.84Å |
| 2013 | F | 85.8 | Confident | 82.4 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66 | -34.1 | 177.3 | -71.3 | -58.1 | 0 | 0 | 0 | 112.4 | V1812 K1947 Y1966 Y2009 I2010 A2015 D2016 A2017 | V1812-F2013 HydrophobicContact CG1-CE1 4.3Å; V1812-F2013 HydrophobicContact CG1-CZ 4.17Å; K1947-F2013 HydrophobicContact CB-CZ 4.48Å; K1947-F2013 WeakPolarHBondContact O-CZ 3.48Å; Y1966-F2013 AromaticContact CD2-CD2 3.97Å; Y1966-F2013 HydrophobicContact CD2-CD2 3.97Å; Y1966-F2013 AromaticContact CD2-CE2 3.76Å; Y1966-F2013 HydrophobicContact CD2-CE2 3.76Å; Y1966-F2013 HydrophobicContact CE2-CD2 4.39Å; Y1966-F2013 AromaticContact CE2-CE2 3.85Å; Y1966-F2013 HydrophobicContact CE2-CE2 3.85Å; Y2009-F2013 AromaticContact CD1-CE2 3.96Å; Y2009-F2013 HydrophobicContact CD1-CE2 3.96Å; Y2009-F2013 HydrophobicContact CD1-CZ 4.5Å; Y2009-F2013 WeakPolarHBondContact O-CD2 3.45Å; Y2009-F2013 PolarHBondContact O-N 3.03Å; I2010-F2013 PolarHBondContact O-N 2.77Å; F2013-A2015 VanDerWaalsContact C-N 3.32Å; F2013-D2016 PolarHBondContact O-N 3.47Å; F2013-A2017 VanDerWaalsContact O-CB 3.23Å; F2013-A2017 WeakPolarHBondContact O-CB 3.34Å; F2013-A2017 PolarHBondContact O-N 2.82Å; F2013-A2017 VanDerWaalsContact O-N 3.12Å |
| 2014 | L | 80.8 | Confident | 82.1 | Confident | 102 Ų | 102 | 58.3 Ų | 58.3 | 53% | 0.534 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.1 | -35.8 | 168.8 | -72.4 | 169.9 | 0 | 0 | 0 | 112.1 | I2010 H2012 A2017 N2018 | I2010-L2014 HydrophobicContact CG2-CD1 3.83Å; I2010-L2014 HydrophobicContact CG2-CG 4.38Å; I2010-L2014 WeakPolarHBondContact O-CB 3.48Å; I2010-L2014 VanDerWaalsContact O-CG 3.31Å; I2010-L2014 WeakPolarHBondContact O-CG 3.44Å; I2010-L2014 PolarHBondContact O-N 2.95Å; H2012-L2014 VanDerWaalsContact C-N 3.31Å; H2012-L2014 PolarHBondContact O-N 2.96Å; L2014-A2017 PolarHBondContact O-N 3.02Å; L2014-N2018 PolarHBondContact O-N 2.62Å; L2014-N2018 PolarHBondContact O-ND2 3.24Å |
| 2015 | A | 76.9 | Confident | 81.8 | Confident | 63 Ų | 63 | 58.4 Ų | 58.4 | 52% | 0.521 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -80.3 | -14.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | S2011 H2012 F2013 | S2011-A2015 VanDerWaalsContact O-CB 3.25Å; S2011-A2015 WeakPolarHBondContact O-CB 3.18Å; S2011-A2015 PolarHBondContact O-N 2.83Å; H2012-A2015 CarbonylContact O-C 3.59Å; H2012-A2015 PolarHBondContact O-N 3Å; F2013-A2015 VanDerWaalsContact C-N 3.32Å |
| 2016 | D | 74.9 | Confident | 81.3 | Confident | 88 Ų | 88 | 61.8 Ų | 61.8 | 47% | 0.471 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -99.1 | -6.8 | 170.4 | -86.9 | 23.2 | 0 | 0 | 0 | 112.4 | K1738 H2012 F2013 | K1738-D2016 WeakPolarHBondContact CE-OD1 3.49Å; K1738-D2016 IonicContact NZ-OD1 2.98Å; K1738-D2016 PolarHBondContact NZ-OD1 3.12Å; K1738-D2016 IonicContact NZ-OD2 2.74Å; K1738-D2016 PolarHBondContact NZ-OD2 3.06Å; H2012-D2016 IonicContact CE1-OD1 3.2Å; H2012-D2016 IonicContact CE1-OD2 3.79Å; H2012-D2016 PolarHBondContact CE1-OD2 3.1Å; H2012-D2016 VanDerWaalsContact CE1-OD2 3.31Å; H2012-D2016 IonicContact ND1-OD1 3.33Å; H2012-D2016 PolarHBondContact O-N 2.84Å; F2013-D2016 PolarHBondContact O-N 3.47Å |
| 2017 | A | 71.2 | Confident | 80.5 | Confident | 83 Ų | 83 | 67 Ų | 67 | 69% | 0.686 | 40% | 0.4 | S | S | * | . | trans | -100.6 | -1.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F2013 L2014 | F2013-A2017 VanDerWaalsContact O-CB 3.23Å; F2013-A2017 WeakPolarHBondContact O-CB 3.34Å; F2013-A2017 PolarHBondContact O-N 2.82Å; F2013-A2017 VanDerWaalsContact O-N 3.12Å; L2014-A2017 PolarHBondContact O-N 3.02Å | ||
| 2018 | N | 45.8 | Very low | 79.7 | Confident | 191 Ų | 191 | 68.2 Ų | 68.2 | 100% | 1.021 | 41% | 0.407 | S | S | * | . | trans | -114.1 | 0 | 171.9 | -74.6 | -85.7 | 0 | 0 | 0 | 110.2 | L2014 | L2014-N2018 PolarHBondContact O-N 2.62Å; L2014-N2018 PolarHBondContact O-ND2 3.24Å |
Retrieved 2,018 of 2,018 residues in 937.6 ms
(Link to these results)