| 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 | G | 95.7 | Very high | 97.1 | Very high | 61 Ų | 61 | 62.4 Ų | 62.4 | 63% | 0.629 | 32% | 0.319 | S | S | * | . | 0 | -177.2 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | F22 | G1-F22 PolarHBondContact N-O 3.1Å; G1-F22 PolarHBondContact O-N 3.06Å | |||
| 2 | R | 97.3 | Very high | 96.5 | Very high | 167 Ų | 167 | 77.7 Ų | 77.7 | 63% | 0.63 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 137.9 | 174.7 | -80.5 | 179.2 | 178.6 | 118.9 | 1.5 | 109.3 | T19 Q20 F22 | R2-T19 HydrophobicContact CB-CG2 3.52Å; R2-T19 HydrophobicContact CG-CG2 3.68Å; R2-Q20 CarbonylContact C-O 3.36Å; R2-Q20 VanDerWaalsContact CA-O 3.32Å; R2-Q20 WeakPolarHBondContact CA-O 3.39Å; R2-F22 VanDerWaalsContact N-CE1 3.26Å |
| 3 | V | 97.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 85.2 Ų | 85.2 | 2% | 0.024 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142.3 | 174.7 | 63.3 | 0 | 0 | 0 | 0 | 109.3 | Q5 Q20 F22 F104 Y107 | V3-Q5 HydrophobicContact CG1-CG 4.23Å; V3-Q20 HydrophobicContact CG1-CB 3.82Å; V3-Q20 PolarHBondContact N-O 3.14Å; V3-Q20 PolarHBondContact O-N 3.32Å; V3-F22 HydrophobicContact CB-CD1 4.49Å; V3-F22 HydrophobicContact CB-CE1 4.26Å; V3-F22 HydrophobicContact CG1-CD1 4.42Å; V3-F104 HydrophobicContact CG1-CD2 3.98Å; V3-Y107 HydrophobicContact CB-CD1 4.1Å; V3-Y107 HydrophobicContact CB-CE1 4.29Å; V3-Y107 HydrophobicContact CB-CG 4.29Å; V3-Y107 HydrophobicContact CG2-CD1 3.87Å; V3-Y107 HydrophobicContact CG2-CD2 3.82Å; V3-Y107 HydrophobicContact CG2-CE1 4.39Å; V3-Y107 HydrophobicContact CG2-CE2 4.34Å; V3-Y107 HydrophobicContact CG2-CG 3.55Å |
| 4 | H | 97.4 | Very high | 96.2 | Very high | 136 Ų | 136 | 82 Ų | 82 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 122.6 | 173.3 | -70.1 | -63.5 | 0 | 0 | 0 | 109.5 | ||
| 5 | Q | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 142.9 | -179.6 | -71.5 | -69.2 | -0.5 | 0 | 0 | 110.3 | V3 L7 T17 F18 Q20 D100 | V3-Q5 HydrophobicContact CG1-CG 4.23Å; Q5-L7 PolarHBondContact O-N 3.07Å; Q5-T17 CarbonylContact O-C 3.53Å; Q5-T17 WeakPolarHBondContact O-CA 3.47Å; Q5-T17 WeakPolarHBondContact O-CB 3.47Å; Q5-F18 HydrophobicContact CB-CD1 3.68Å; Q5-F18 HydrophobicContact CB-CE1 3.22Å; Q5-F18 HydrophobicContact CB-CE2 4.4Å; Q5-F18 HydrophobicContact CB-CG 4.44Å; Q5-F18 HydrophobicContact CB-CZ 3.62Å; Q5-F18 HydrophobicContact CG-CE1 4.03Å; Q5-F18 HydrophobicContact CG-CZ 3.9Å; Q5-F18 PolarHBondContact N-O 3.15Å; Q5-F18 PolarHBondContact O-N 3.04Å; Q5-Q20 HydrophobicContact CG-CB 3.8Å; Q5-D100 PolarHBondContact NE2-O 3Å |
| 6 | P | 97.4 | Very high | 96.1 | Very high | 46 Ų | 46 | 88 Ų | 88 | 30% | 0.299 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 135.3 | 160.4 | -22.3 | 32.9 | 0 | 0 | 0 | 110.6 | R73 | P6-R73 PolarHBondContact O-NH2 3.16Å |
| 7 | L | 96.7 | Very high | 96.1 | Very high | 10 Ų | 10 | 87.4 Ų | 87.4 | 5% | 0.052 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -67.5 | -42.3 | 174.4 | -177.3 | 62.2 | 0 | 0 | 0 | 110.4 | Q5 K16 F18 R73 D91 | Q5-L7 PolarHBondContact O-N 3.07Å; L7-K16 HydrophobicContact CB-CB 3.99Å; L7-K16 WeakPolarHBondContact CB-O 3.1Å; L7-K16 HydrophobicContact CD2-CB 3.83Å; L7-K16 HydrophobicContact CD2-CD 3.98Å; L7-K16 PolarHBondContact N-O 2.72Å; L7-F18 HydrophobicContact CD1-CD1 4.31Å; L7-R73 PolarHBondContact O-NH1 2.84Å; L7-D91 HydrophobicContact CD1-CB 4.14Å; L7-D91 HydrophobicContact CG-CB 4.32Å; L7-D91 WeakPolarHBondContact CG-OD2 3.31Å |
| 8 | D | 97.5 | Very high | 96.1 | Very high | 27 Ų | 27 | 82.9 Ų | 82.9 | 14% | 0.144 | 41% | 0.408 | C | S | . | . | trans | -126.5 | 110.1 | 177.9 | -174.4 | -11.1 | 0 | 0 | 0 | 110.5 | F10 N11 N14 Q96 | D8-F10 VanDerWaalsContact C-N 3.29Å; D8-F10 WeakPolarHBondContact OD1-CA 3.41Å; D8-F10 PolarHBondContact OD1-N 2.79Å; D8-N11 HydrophobicContact CB-CB 4.35Å; D8-N11 PolarHBondContact OD1-N 3.25Å; D8-N11 WeakPolarHBondContact OD2-CB 3.02Å; D8-N14 HydrophobicContact CB-CB 4.22Å; D8-Q96 PolarHBondContact OD1-NE2 2.74Å | ||
| 9 | H | 97.9 | Very high | 96.2 | Very high | 43 Ų | 43 | 80.9 Ų | 80.9 | 20% | 0.199 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -76.2 | -17.1 | 178.6 | -66.6 | -83.3 | 0 | 0 | 0 | 113.3 | R73 Q96 A99 D100 | H9-R73 PolarHBondContact CD2-NH2 3.03Å; H9-R73 VanDerWaalsContact CD2-NH2 3.27Å; H9-R73 PolarHBondContact NE2-NH2 3.05Å; H9-Q96 PolarHBondContact CD2-OE1 2.92Å; H9-Q96 VanDerWaalsContact CD2-OE1 3.25Å; H9-A99 HydrophobicContact CB-CB 3.66Å; H9-A99 VanDerWaalsContact CD2-CB 3.47Å; H9-A99 WeakPolarHBondContact CD2-CB 3.44Å; H9-A99 VanDerWaalsContact CG-CB 3.41Å; H9-D100 IonicContact CD2-OD1 3.68Å; H9-D100 IonicContact CE1-OD1 3.68Å; H9-D100 PolarHBondContact NE2-N 2.92Å; H9-D100 IonicContact NE2-OD1 2.73Å; H9-D100 PolarHBondContact NE2-OD1 3.47Å |
| 10 | F | 97.1 | Very high | 96.3 | Very high | 127 Ų | 127 | 77.1 Ų | 77.1 | 56% | 0.557 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -104.2 | -7.4 | -173.3 | -53.2 | -60.6 | 0 | 0 | 0 | 112.8 | D8 Q95 Q96 A99 | D8-F10 VanDerWaalsContact C-N 3.29Å; D8-F10 WeakPolarHBondContact OD1-CA 3.41Å; D8-F10 PolarHBondContact OD1-N 2.79Å; F10-Q95 HydrophobicContact CE2-CB 3.72Å; F10-Q95 HydrophobicContact CZ-CB 3.83Å; F10-Q96 VanDerWaalsContact CD2-CD 3.5Å; F10-Q96 HydrophobicContact CD2-CG 4.07Å; F10-Q96 HydrophobicContact CE2-CB 4.39Å; F10-Q96 HydrophobicContact CE2-CG 3.85Å; F10-A99 HydrophobicContact CZ-CB 4.3Å |
| 11 | N | 95.8 | Very high | 96.4 | Very high | 65 Ų | 65 | 75.2 Ų | 75.2 | 35% | 0.348 | 37% | 0.37 | S | S | . | . | trans | -120 | 98.2 | 170.4 | -175.3 | -0.3 | 0 | 0 | 0 | 112.3 | D8 Q13 N14 | D8-N11 HydrophobicContact CB-CB 4.35Å; D8-N11 PolarHBondContact OD1-N 3.25Å; D8-N11 WeakPolarHBondContact OD2-CB 3.02Å; N11-Q13 PolarHBondContact O-N 3.29Å; N11-Q13 VanDerWaalsContact O-N 3.1Å; N11-Q13 WeakPolarHBondContact OD1-CB 3.32Å; N11-Q13 PolarHBondContact OD1-N 2.73Å; N11-N14 HydrophobicContact CB-CB 4.3Å; N11-N14 WeakPolarHBondContact O-CB 3.23Å; N11-N14 PolarHBondContact O-N 3.48Å | ||
| 12 | R | 90.1 | Very high | 96.6 | Very high | 246 Ų | 246 | 72.8 Ų | 72.8 | 93% | 0.928 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16 | 179.8 | -65.4 | -174.3 | 178.8 | -177.8 | -0 | 115 | N14 | R12-N14 VanDerWaalsContact C-N 3.31Š|
| 13 | Q | 94.8 | Very high | 96.6 | Very high | 175 Ų | 175 | 66.6 Ų | 66.6 | 82% | 0.818 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -21 | 175.6 | -61 | -177.8 | -11.7 | 0 | 0 | 111.7 | N11 V15 | N11-Q13 PolarHBondContact O-N 3.29Å; N11-Q13 VanDerWaalsContact O-N 3.1Å; N11-Q13 WeakPolarHBondContact OD1-CB 3.32Å; N11-Q13 PolarHBondContact OD1-N 2.73Å; Q13-V15 PolarHBondContact O-N 3.27Å |
| 14 | N | 93.1 | Very high | 96.7 | Very high | 41 Ų | 41 | 68.6 Ų | 68.6 | 22% | 0.219 | 33% | 0.332 | C | S | . | . | trans | -81.1 | 106.8 | 175.2 | -171.1 | -4.8 | 0 | 0 | 0 | 109.7 | D8 N11 R12 K16 | D8-N14 HydrophobicContact CB-CB 4.22Å; N11-N14 HydrophobicContact CB-CB 4.3Å; N11-N14 WeakPolarHBondContact O-CB 3.23Å; N11-N14 PolarHBondContact O-N 3.48Å; R12-N14 VanDerWaalsContact C-N 3.31Å; N14-K16 VanDerWaalsContact OD1-CB 3.23Å; N14-K16 WeakPolarHBondContact OD1-CB 3.14Å; N14-K16 VanDerWaalsContact OD1-CG 3.32Å; N14-K16 WeakPolarHBondContact OD1-CG 3.38Å; N14-K16 PolarHBondContact OD1-N 2.77Å | ||
| 15 | V | 94.6 | Very high | 96.7 | Very high | 132 Ų | 132 | 62.9 Ų | 62.9 | 80% | 0.8 | 31% | 0.307 | S | S | * | . | trans | -92.7 | 4.7 | 178.9 | -61.2 | 0 | 0 | 0 | 0 | 113.2 | Q13 | Q13-V15 PolarHBondContact O-N 3.27Š| ||
| 16 | K | 95.8 | Very high | 96.7 | Very high | 128 Ų | 128 | 66.8 Ų | 66.8 | 56% | 0.557 | 33% | 0.325 | S | S | * | . | trans | -68.4 | 151.4 | 178.1 | -64.5 | 178.9 | 179.5 | -178.7 | 0 | 110.4 | L7 N14 | L7-K16 HydrophobicContact CB-CB 3.99Å; L7-K16 WeakPolarHBondContact CB-O 3.1Å; L7-K16 HydrophobicContact CD2-CB 3.83Å; L7-K16 HydrophobicContact CD2-CD 3.98Å; L7-K16 PolarHBondContact N-O 2.72Å; N14-K16 VanDerWaalsContact OD1-CB 3.23Å; N14-K16 WeakPolarHBondContact OD1-CB 3.14Å; N14-K16 VanDerWaalsContact OD1-CG 3.32Å; N14-K16 WeakPolarHBondContact OD1-CG 3.38Å; N14-K16 PolarHBondContact OD1-N 2.77Å | ||
| 17 | T | 96.6 | Very high | 96.7 | Very high | 78 Ų | 78 | 68.4 Ų | 68.4 | 48% | 0.479 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 164.5 | 178.3 | 57.7 | 0 | 0 | 0 | 0 | 110.7 | Q5 N80 | Q5-T17 CarbonylContact O-C 3.53Å; Q5-T17 WeakPolarHBondContact O-CA 3.47Å; Q5-T17 WeakPolarHBondContact O-CB 3.47Å; T17-N80 PolarHBondContact O-ND2 3.33Å |
| 18 | F | 97.2 | Very high | 96.6 | Very high | 7 Ų | 7 | 71.9 Ų | 71.9 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 167.3 | 164.9 | 77.9 | -76.5 | 0 | 0 | 0 | 109.7 | Q5 L7 Q20 R73 N80 | Q5-F18 HydrophobicContact CB-CD1 3.68Å; Q5-F18 HydrophobicContact CB-CE1 3.22Å; Q5-F18 HydrophobicContact CB-CE2 4.4Å; Q5-F18 HydrophobicContact CB-CG 4.44Å; Q5-F18 HydrophobicContact CB-CZ 3.62Å; Q5-F18 HydrophobicContact CG-CE1 4.03Å; Q5-F18 HydrophobicContact CG-CZ 3.9Å; Q5-F18 PolarHBondContact N-O 3.15Å; Q5-F18 PolarHBondContact O-N 3.04Å; L7-F18 HydrophobicContact CD1-CD1 4.31Å; F18-Q20 HydrophobicContact CE2-CB 3.8Å; F18-Q20 HydrophobicContact CE2-CG 4.29Å; F18-Q20 HydrophobicContact CZ-CB 4.26Å; F18-R73 HydrophobicContact CE1-CB 4.4Å; F18-R73 HydrophobicContact CE2-CB 3.87Å; F18-R73 HydrophobicContact CZ-CB 3.61Å; F18-N80 VanDerWaalsContact CA-OD1 3.28Å; F18-N80 WeakPolarHBondContact CA-OD1 3.41Å; F18-N80 WeakPolarHBondContact CB-OD1 3.49Å |
| 19 | T | 97.6 | Very high | 96.7 | Very high | 45 Ų | 45 | 71.5 Ų | 71.5 | 28% | 0.276 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.3 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 109.8 | R2 | R2-T19 HydrophobicContact CB-CG2 3.52Å; R2-T19 HydrophobicContact CG-CG2 3.68Å |
| 20 | Q | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 74.3 Ų | 74.3 | 2% | 0.019 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 131.3 | 179.9 | -172.2 | -177.3 | 32.8 | 0 | 0 | 110.2 | R2 V3 Q5 F18 V70 E71 | R2-Q20 CarbonylContact C-O 3.36Å; R2-Q20 VanDerWaalsContact CA-O 3.32Å; R2-Q20 WeakPolarHBondContact CA-O 3.39Å; V3-Q20 HydrophobicContact CG1-CB 3.82Å; V3-Q20 PolarHBondContact N-O 3.14Å; V3-Q20 PolarHBondContact O-N 3.32Å; Q5-Q20 HydrophobicContact CG-CB 3.8Å; F18-Q20 HydrophobicContact CE2-CB 3.8Å; F18-Q20 HydrophobicContact CE2-CG 4.29Å; F18-Q20 HydrophobicContact CZ-CB 4.26Å; Q20-V70 HydrophobicContact CG-CG2 4.12Å; Q20-E71 VanDerWaalsContact CG-O 3.31Å; Q20-E71 WeakPolarHBondContact CG-O 3.27Å; Q20-E71 PolarHBondContact NE2-O 3.39Å |
| 21 | R | 98.4 | Very high | 96.4 | Very high | 37 Ų | 37 | 75.2 Ų | 75.2 | 14% | 0.14 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 145 | 178.7 | -177 | 167.3 | 67.1 | 152.3 | 15.6 | 110.6 | I46 E71 D77 S78 | R21-I46 PolarHBondContact NH2-O 3.4Å; R21-E71 HydrophobicContact CB-CB 4.11Å; R21-E71 WeakPolarHBondContact CB-OE2 3.37Å; R21-E71 IonicContact CZ-OE1 3.77Å; R21-E71 VanDerWaalsContact CZ-OE1 3.25Å; R21-E71 IonicContact CZ-OE2 3.34Å; R21-E71 IonicContact NE-OE1 3.59Å; R21-E71 PolarHBondContact NE-OE1 2.98Å; R21-E71 VanDerWaalsContact NE-OE1 3.13Å; R21-E71 IonicContact NE-OE2 2.93Å; R21-E71 PolarHBondContact NE-OE2 2.79Å; R21-E71 VanDerWaalsContact NE-OE2 3.1Å; R21-E71 IonicContact NH2-OE1 3.36Å; R21-E71 PolarHBondContact NH2-OE1 3.09Å; R21-E71 IonicContact NH2-OE2 2.83Å; R21-E71 VanDerWaalsContact O-CB 3.28Å; R21-E71 WeakPolarHBondContact O-CB 3.5Å; R21-E71 PolarHBondContact O-N 3.32Å; R21-D77 IonicContact CZ-OD2 3.8Å; R21-D77 IonicContact NE-OD2 2.76Å; R21-D77 IonicContact NH1-OD2 2.68Å; R21-D77 PolarHBondContact NH1-OD2 3.44Å; R21-S78 PolarHBondContact N-OG 3.4Å |
| 22 | F | 98.7 | Very high | 96.3 | Very high | 10 Ų | 10 | 75.4 Ų | 75.4 | 4% | 0.044 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 158.1 | 170.6 | 68.5 | -90 | 0 | 0 | 0 | 111.4 | G1 R2 V3 V24 A69 V70 F104 Y107 I108 | G1-F22 PolarHBondContact N-O 3.1Å; G1-F22 PolarHBondContact O-N 3.06Å; R2-F22 VanDerWaalsContact N-CE1 3.26Å; V3-F22 HydrophobicContact CB-CD1 4.49Å; V3-F22 HydrophobicContact CB-CE1 4.26Å; V3-F22 HydrophobicContact CG1-CD1 4.42Å; F22-V24 HydrophobicContact CD2-CG2 3.6Å; F22-V24 HydrophobicContact CE2-CG2 3.4Å; F22-V24 VanDerWaalsContact CE2-CG2 3.4Å; F22-A69 CarbonylContact C-O 3.57Å; F22-A69 WeakPolarHBondContact CA-O 3.29Å; F22-A69 WeakPolarHBondContact CB-O 3.45Å; F22-V70 HydrophobicContact CB-CB 4.36Å; F22-V70 HydrophobicContact CB-CG2 4.36Å; F22-F104 HydrophobicContact CB-CE2 3.68Å; F22-F104 HydrophobicContact CB-CZ 3.76Å; F22-F104 HydrophobicContact CD1-CD2 4.45Å; F22-F104 AromaticContact CD1-CE2 3.63Å; F22-F104 HydrophobicContact CD1-CE2 3.63Å; F22-F104 HydrophobicContact CD1-CZ 4.45Å; F22-F104 AromaticContact CD2-CE2 3.86Å; F22-F104 HydrophobicContact CD2-CE2 3.86Å; F22-F104 AromaticContact CD2-CZ 3.95Å; F22-F104 HydrophobicContact CD2-CZ 3.95Å; F22-F104 HydrophobicContact CE1-CE2 4.15Å; F22-F104 HydrophobicContact CE2-CE2 4.37Å; F22-F104 AromaticContact CG-CE2 3.46Å; F22-F104 HydrophobicContact CG-CE2 3.46Å; F22-F104 VanDerWaalsContact CG-CE2 3.46Å; F22-F104 AromaticContact CG-CZ 3.83Å; F22-F104 HydrophobicContact CG-CZ 3.83Å; F22-Y107 AromaticContact CE1-CE1 3.86Å; F22-Y107 HydrophobicContact CE1-CE1 3.86Å; F22-Y107 AromaticContact CZ-CE1 3.72Å; F22-Y107 HydrophobicContact CZ-CE1 3.72Å; F22-I108 HydrophobicContact CD2-CD1 4.36Å; F22-I108 HydrophobicContact CE2-CD1 3.9Å; F22-I108 HydrophobicContact CZ-CD1 4.27Å |
| 23 | F | 98.7 | Very high | 96.3 | Very high | 37 Ų | 37 | 67.4 Ų | 67.4 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 152.9 | 169.5 | -63.7 | -62.9 | 0 | 0 | 0 | 110.9 | I46 Y47 N48 V51 L68 A69 | F23-I46 HydrophobicContact CD2-CD1 3.68Å; F23-I46 HydrophobicContact CD2-CG1 4.02Å; F23-I46 HydrophobicContact CE2-CB 4.45Å; F23-I46 HydrophobicContact CE2-CD1 3.91Å; F23-I46 HydrophobicContact CE2-CG1 3.8Å; F23-Y47 VanDerWaalsContact CD2-O 3.29Å; F23-Y47 WeakPolarHBondContact CD2-O 3.3Å; F23-N48 WeakPolarHBondContact CD1-OD1 3.3Å; F23-N48 WeakPolarHBondContact CE1-OD1 3.27Å; F23-N48 WeakPolarHBondContact CZ-OD1 3.22Å; F23-V51 HydrophobicContact CB-CG1 3.98Å; F23-V51 HydrophobicContact CB-CG2 3.84Å; F23-L68 WeakPolarHBondContact O-CA 3.49Å; F23-A69 HydrophobicContact CB-CB 4.45Å; F23-A69 PolarHBondContact N-O 3.47Å; F23-A69 PolarHBondContact O-N 2.95Å |
| 24 | V | 98.5 | Very high | 96.4 | Very high | 46 Ų | 46 | 59.3 Ų | 59.3 | 28% | 0.279 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 136.7 | 176.8 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | F22 E26 L66 L67 L68 F112 | F22-V24 HydrophobicContact CD2-CG2 3.6Å; F22-V24 HydrophobicContact CE2-CG2 3.4Å; F22-V24 VanDerWaalsContact CE2-CG2 3.4Å; V24-E26 HydrophobicContact CG1-CG 3.79Å; V24-L66 HydrophobicContact CG1-CD1 3.81Å; V24-L67 CarbonylContact C-O 3.55Å; V24-L67 WeakPolarHBondContact CA-O 3.45Å; V24-L68 HydrophobicContact CB-CD2 4.23Å; V24-L68 HydrophobicContact CG1-CD2 3.93Å; V24-L68 HydrophobicContact CG2-CD2 3.72Å; V24-F112 HydrophobicContact CG1-CE1 4.35Å; V24-F112 HydrophobicContact CG1-CZ 3.85Å; V24-F112 HydrophobicContact CG2-CZ 4.37Å |
| 25 | N | 98.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 58.2 Ų | 58.2 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 115.1 | 166.8 | 179.4 | 7.3 | 0 | 0 | 0 | 109.6 | A27 V51 L67 | N25-A27 WeakPolarHBondContact OD1-CB 3.35Å; N25-A27 PolarHBondContact OD1-N 3.06Å; N25-V51 HydrophobicContact CB-CB 3.85Å; N25-V51 HydrophobicContact CB-CG2 3.95Å; N25-V51 WeakPolarHBondContact CB-O 3.42Å; N25-V51 PolarHBondContact ND2-O 2.74Å; N25-L67 HydrophobicContact CB-CB 3.99Å; N25-L67 HydrophobicContact CB-CD1 4.47Å; N25-L67 PolarHBondContact N-O 3.02Å; N25-L67 PolarHBondContact O-N 3.21Å; N25-L67 VanDerWaalsContact O-N 3.07Å |
| 26 | E | 97.4 | Very high | 96.9 | Very high | 82 Ų | 82 | 51.9 Ų | 51.9 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | trans | -99.2 | -2.4 | -178.1 | -53.9 | -175.9 | -130.8 | 0 | 0 | 113.1 | V24 Y28 W29 R31 L66 F112 | V24-E26 HydrophobicContact CG1-CG 3.79Å; E26-Y28 PolarHBondContact O-N 3.22Å; E26-W29 PolarHBondContact O-N 3.41Å; E26-R31 IonicContact OE2-CZ 3.49Å; E26-R31 IonicContact OE2-NE 3.68Å; E26-R31 PolarHBondContact OE2-NE 3.13Å; E26-R31 IonicContact OE2-NH2 3.33Å; E26-R31 PolarHBondContact OE2-NH2 3.16Å; E26-L66 HydrophobicContact CB-CD1 4.48Å; E26-L66 HydrophobicContact CG-CD1 3.88Å; E26-F112 HydrophobicContact CG-CE1 4.18Å | ||
| 27 | A | 97.1 | Very high | 97 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 66% | 0.661 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N25 | N25-A27 WeakPolarHBondContact OD1-CB 3.35Å; N25-A27 PolarHBondContact OD1-N 3.06Å |
| 28 | Y | 95.9 | Very high | 97.1 | Very high | 83 Ų | 83 | 42.1 Ų | 42.1 | 33% | 0.325 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -6.9 | -179.3 | -48.4 | -52.1 | 0 | 0 | 0 | 113.6 | E26 Q30 V57 K61 R64 L67 | E26-Y28 PolarHBondContact O-N 3.22Å; Y28-Q30 PolarHBondContact O-N 3.33Å; Y28-V57 HydrophobicContact CE2-CG1 4.16Å; Y28-K61 HydrophobicContact CD1-CB 4.21Å; Y28-K61 HydrophobicContact CD1-CG 3.88Å; Y28-K61 HydrophobicContact CD2-CB 4.03Å; Y28-K61 HydrophobicContact CE1-CB 4.41Å; Y28-K61 HydrophobicContact CE1-CD 4.17Å; Y28-K61 HydrophobicContact CE1-CG 4Å; Y28-K61 HydrophobicContact CE2-CB 4.22Å; Y28-K61 HydrophobicContact CG-CB 4.03Å; Y28-K61 HydrophobicContact CG-CG 4.2Å; Y28-R64 CarbonylContact O-C 3.57Å; Y28-R64 VanDerWaalsContact O-C 3.28Å; Y28-R64 WeakPolarHBondContact O-CA 3.38Å; Y28-R64 VanDerWaalsContact O-CB 3.31Å; Y28-R64 WeakPolarHBondContact O-CB 3.4Å; Y28-L67 HydrophobicContact CD2-CD1 4.15Å; Y28-L67 HydrophobicContact CE2-CD1 4.39Å |
| 29 | W | 97.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 43 Ų | 43 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | trans | -73.1 | 120.3 | -167 | -177 | 37.5 | 0 | 0 | 0 | 112.2 | E26 R31 G34 R64 L66 F112 L114 | E26-W29 PolarHBondContact O-N 3.41Å; W29-R31 HydrophobicContact CD2-CG 3.7Å; W29-R31 HydrophobicContact CE3-CG 3.32Å; W29-R31 HydrophobicContact CG-CG 4.46Å; W29-R31 HydrophobicContact CH2-CG 3.91Å; W29-R31 HydrophobicContact CZ2-CG 4.24Å; W29-R31 HydrophobicContact CZ3-CG 3.46Å; W29-R31 VanDerWaalsContact CZ3-CG 3.46Å; W29-R31 PolarHBondContact O-N 3.19Å; W29-G34 PolarHBondContact NE1-O 2.91Å; W29-R64 WeakPolarHBondContact CA-O 3.46Å; W29-L66 HydrophobicContact CB-CB 4.2Å; W29-L66 HydrophobicContact CD2-CB 3.87Å; W29-L66 HydrophobicContact CD2-CD1 4.24Å; W29-L66 HydrophobicContact CD2-CG 4.44Å; W29-L66 HydrophobicContact CE3-CB 4.46Å; W29-L66 HydrophobicContact CE3-CD1 4.02Å; W29-L66 HydrophobicContact CE3-CD2 4.49Å; W29-L66 HydrophobicContact CG-CB 3.69Å; W29-L66 HydrophobicContact CG-CD1 4.45Å; W29-F112 HydrophobicContact CH2-CB 4.08Å; W29-F112 HydrophobicContact CH2-CD1 4.32Å; W29-F112 HydrophobicContact CZ3-CB 4.35Å; W29-F112 AromaticContact CZ3-CD1 3.74Å; W29-F112 HydrophobicContact CZ3-CD1 3.74Å; W29-F112 HydrophobicContact CZ3-CG 4.49Å; W29-L114 HydrophobicContact CH2-CD2 3.63Å; W29-L114 HydrophobicContact CZ2-CD2 3.39Å | ||
| 30 | Q | 96.8 | Very high | 97.3 | Very high | 101 Ų | 101 | 41 Ų | 41 | 47% | 0.472 | 21% | 0.208 | S | C | . | . | trans | -76.5 | 87.5 | 171.2 | -177 | 171.3 | -13.3 | 0 | 0 | 110.2 | Y28 D33 G34 R64 | Y28-Q30 PolarHBondContact O-N 3.33Å; Q30-D33 PolarHBondContact O-N 2.89Å; Q30-D33 VanDerWaalsContact O-N 3.09Å; Q30-G34 PolarHBondContact O-N 2.92Å; Q30-R64 HydrophobicContact CB-CB 3.69Å; Q30-R64 HydrophobicContact CB-CG 4.5Å; Q30-R64 PolarHBondContact N-O 3.13Å | ||
| 31 | R | 93.9 | Very high | 97.3 | Very high | 146 Ų | 146 | 41 Ų | 41 | 55% | 0.551 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 141.5 | 175.2 | -75 | 173.4 | 167.9 | -94.4 | 11.8 | 111.7 | E26 W29 | E26-R31 IonicContact OE2-CZ 3.49Å; E26-R31 IonicContact OE2-NE 3.68Å; E26-R31 PolarHBondContact OE2-NE 3.13Å; E26-R31 IonicContact OE2-NH2 3.33Å; E26-R31 PolarHBondContact OE2-NH2 3.16Å; W29-R31 HydrophobicContact CD2-CG 3.7Å; W29-R31 HydrophobicContact CE3-CG 3.32Å; W29-R31 HydrophobicContact CG-CG 4.46Å; W29-R31 HydrophobicContact CH2-CG 3.91Å; W29-R31 HydrophobicContact CZ2-CG 4.24Å; W29-R31 HydrophobicContact CZ3-CG 3.46Å; W29-R31 VanDerWaalsContact CZ3-CG 3.46Å; W29-R31 PolarHBondContact O-N 3.19Å |
| 32 | P | 92.3 | Very high | 97.2 | Very high | 70 Ų | 70 | 39.7 Ų | 39.7 | 46% | 0.455 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -91.8 | -2.5 | -7 | 35.2 | -31.4 | 0 | 0 | 0 | 113.9 | N118 | P32-N118 PolarHBondContact O-ND2 3.12Š|
| 33 | D | 91.1 | Very high | 97.1 | Very high | 78 Ų | 78 | 42.1 Ų | 42.1 | 42% | 0.417 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -5.7 | -160.2 | -58.7 | -47.6 | 0 | 0 | 0 | 115.2 | Q30 R117 | Q30-D33 PolarHBondContact O-N 2.89Å; Q30-D33 VanDerWaalsContact O-N 3.09Å; D33-R117 IonicContact OD1-CZ 3.67Å; D33-R117 IonicContact OD1-NE 3.83Å; D33-R117 PolarHBondContact OD1-NE 3.25Å; D33-R117 IonicContact OD1-NH2 2.71Å; D33-R117 PolarHBondContact OD1-NH2 2.98Å |
| 34 | G | 96.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | trans | -57.8 | 148.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W29 Q30 N118 | W29-G34 PolarHBondContact NE1-O 2.91Å; Q30-G34 PolarHBondContact O-N 2.92Å; G34-N118 PolarHBondContact O-ND2 2.93Å | ||
| 35 | P | 98.4 | Very high | 96.7 | Very high | 17 Ų | 17 | 41.2 Ų | 41.2 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | trans | -64.3 | 171.1 | 178.5 | 28.2 | -33.2 | 0 | 0 | 0 | 111.7 | F37 H63 A65 L66 T119 L440 | P35-F37 HydrophobicContact CB-CE1 4.34Å; P35-F37 HydrophobicContact CG-CE1 4.37Å; P35-H63 WeakPolarHBondContact CD-O 3.15Å; P35-H63 HydrophobicContact CG-CB 4.29Å; P35-A65 HydrophobicContact CG-CB 3.85Å; P35-A65 CarbonylContact O-C 3.6Å; P35-A65 WeakPolarHBondContact O-CA 3.32Å; P35-A65 WeakPolarHBondContact O-CB 3.35Å; P35-L66 PolarHBondContact O-N 3.16Å; P35-T119 CarbonylContact C-O 3.59Å; P35-T119 VanDerWaalsContact CA-O 3.29Å; P35-T119 WeakPolarHBondContact CA-O 3.47Å; P35-T119 WeakPolarHBondContact CB-O 3.36Å; P35-L440 HydrophobicContact CB-CD2 3.69Å; P35-L440 HydrophobicContact CG-CD1 4.22Å; P35-L440 HydrophobicContact CG-CD2 4.18Å | ||
| 36 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.4 | 177.9 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | L66 L68 L114 N118 T119 W120 I121 | V36-L66 WeakPolarHBondContact CA-O 3.34Å; V36-L66 HydrophobicContact CG1-CB 4.47Å; V36-L66 HydrophobicContact CG1-CD2 4.45Å; V36-L66 HydrophobicContact CG2-CB 4.33Å; V36-L66 HydrophobicContact CG2-CD2 4.38Å; V36-L68 HydrophobicContact CG1-CD1 3.37Å; V36-L68 HydrophobicContact CG1-CG 4.11Å; V36-L114 HydrophobicContact CG2-CD1 3.77Å; V36-N118 HydrophobicContact CG2-CB 4.21Å; V36-T119 PolarHBondContact N-O 2.87Å; V36-W120 HydrophobicContact CB-CD2 3.6Å; V36-W120 HydrophobicContact CB-CE3 3.87Å; V36-W120 HydrophobicContact CB-CG 3.96Å; V36-W120 HydrophobicContact CB-CZ2 4.35Å; V36-W120 HydrophobicContact CB-CZ3 4.34Å; V36-W120 HydrophobicContact CG1-CD2 3.71Å; V36-W120 HydrophobicContact CG1-CE3 3.46Å; V36-W120 VanDerWaalsContact CG1-CE3 3.46Å; V36-W120 HydrophobicContact CG1-CH2 3.79Å; V36-W120 HydrophobicContact CG1-CZ2 4.02Å; V36-W120 HydrophobicContact CG1-CZ3 3.5Å; V36-W120 HydrophobicContact CG2-CD2 4.09Å; V36-W120 HydrophobicContact CG2-CG 4.42Å; V36-W120 HydrophobicContact CG2-CZ2 4.18Å; V36-W120 CarbonylContact O-C 3.47Å; V36-W120 WeakPolarHBondContact O-CA 3.28Å; V36-I121 PolarHBondContact O-N 3.24Å |
| 37 | F | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 116.3 | 176.3 | -77.7 | 16.1 | 0 | 0 | 0 | 108.6 | P35 H56 M59 A60 H63 A65 L66 L67 L68 I121 F123 V436 L440 | P35-F37 HydrophobicContact CB-CE1 4.34Å; P35-F37 HydrophobicContact CG-CE1 4.37Å; F37-H56 WeakPolarHBondContact CD2-O 3.27Å; F37-M59 HydrophobicContact CE2-CB 3.71Å; F37-A60 HydrophobicContact CD2-CB 3.65Å; F37-A60 HydrophobicContact CE2-CB 4.17Å; F37-A60 HydrophobicContact CG-CB 4.31Å; F37-H63 HydrophobicContact CZ-CB 4.35Å; F37-A65 HydrophobicContact CB-CB 4.34Å; F37-A65 HydrophobicContact CD1-CB 3.83Å; F37-A65 HydrophobicContact CD2-CB 4.24Å; F37-A65 HydrophobicContact CE1-CB 4.16Å; F37-A65 HydrophobicContact CG-CB 3.86Å; F37-A65 HydrophobicContact CZ-CB 4.49Å; F37-L66 PolarHBondContact N-O 3.14Å; F37-L67 HydrophobicContact CB-CD2 3.92Å; F37-L68 PolarHBondContact O-N 3.3Å; F37-I121 WeakPolarHBondContact CA-O 3.12Å; F37-I121 HydrophobicContact CD1-CB 4.06Å; F37-I121 HydrophobicContact CD1-CG1 4.36Å; F37-I121 HydrophobicContact CE1-CB 4.11Å; F37-I121 HydrophobicContact CE1-CG1 4Å; F37-F123 HydrophobicContact CB-CD2 4.26Å; F37-F123 HydrophobicContact CB-CE2 3.7Å; F37-F123 AromaticContact CD1-CE2 3.97Å; F37-F123 HydrophobicContact CD1-CE2 3.97Å; F37-F123 HydrophobicContact CD1-CZ 4.38Å; F37-F123 AromaticContact CD2-CE2 3.55Å; F37-F123 HydrophobicContact CD2-CE2 3.55Å; F37-F123 AromaticContact CD2-CZ 3.66Å; F37-F123 HydrophobicContact CD2-CZ 3.66Å; F37-F123 HydrophobicContact CE1-CE2 4.5Å; F37-F123 HydrophobicContact CE1-CZ 4.49Å; F37-F123 HydrophobicContact CE2-CE2 4.14Å; F37-F123 AromaticContact CE2-CZ 3.79Å; F37-F123 HydrophobicContact CE2-CZ 3.79Å; F37-F123 HydrophobicContact CG-CD2 4.47Å; F37-F123 AromaticContact CG-CE2 3.47Å; F37-F123 HydrophobicContact CG-CE2 3.47Å; F37-F123 VanDerWaalsContact CG-CE2 3.47Å; F37-F123 AromaticContact CG-CZ 4Å; F37-F123 HydrophobicContact CG-CZ 4Å; F37-F123 HydrophobicContact CZ-CZ 4.22Å; F37-V436 HydrophobicContact CE1-CG1 4.32Å; F37-V436 HydrophobicContact CE2-CG1 4.42Å; F37-V436 HydrophobicContact CZ-CG1 3.68Å; F37-L440 HydrophobicContact CE1-CD1 4.21Å; F37-L440 HydrophobicContact CE1-CD2 4.5Å; F37-L440 HydrophobicContact CZ-CD1 4.19Å |
| 38 | L | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 108.2 | -176.2 | 176 | 61.7 | 0 | 0 | 0 | 110.3 | I40 L68 V70 F104 W120 I121 S122 F123 F135 | L38-I40 HydrophobicContact CD2-CG1 4.27Å; L38-I40 HydrophobicContact CG-CG1 4.12Å; L38-L68 HydrophobicContact CD1-CB 3.82Å; L38-L68 HydrophobicContact CD1-CD1 4.48Å; L38-V70 HydrophobicContact CD1-CB 4.45Å; L38-V70 HydrophobicContact CD1-CG1 3.88Å; L38-F104 HydrophobicContact CD1-CD1 4.21Å; L38-F104 HydrophobicContact CD1-CE1 3.7Å; L38-W120 HydrophobicContact CB-CE3 4.32Å; L38-W120 HydrophobicContact CB-CZ3 4.4Å; L38-W120 HydrophobicContact CD2-CZ3 4.33Å; L38-I121 PolarHBondContact N-O 2.89Å; L38-S122 CarbonylContact O-C 3.35Å; L38-S122 VanDerWaalsContact O-CA 3.27Å; L38-S122 WeakPolarHBondContact O-CA 3.36Å; L38-F123 PolarHBondContact O-N 3.42Å; L38-F135 HydrophobicContact CD2-CE1 4.27Å |
| 39 | F | 98.8 | Very high | 96.4 | Very high | 27 Ų | 27 | 45 Ų | 45 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 121.9 | 165.3 | -173 | -85 | 0 | 0 | 0 | 109.7 | D50 H56 L68 A69 V70 M414 | F39-D50 HydrophobicContact CD1-CB 4.08Å; F39-D50 HydrophobicContact CE1-CB 4.23Å; F39-H56 AromaticContact CD2-CD2 3.92Å; F39-H56 AromaticContact CD2-CE1 3.82Å; F39-H56 AromaticContact CD2-NE2 3.55Å; F39-L68 PolarHBondContact N-O 2.96Å; F39-A69 HydrophobicContact CB-CB 4.1Å; F39-A69 HydrophobicContact CD1-CB 4.21Å; F39-A69 VanDerWaalsContact O-CA 3.28Å; F39-A69 WeakPolarHBondContact O-CA 3.46Å; F39-V70 PolarHBondContact O-N 3.4Å; F39-V70 VanDerWaalsContact O-N 3.07Å; F39-M414 HydrophobicContact CD2-CE 4.11Å; F39-M414 HydrophobicContact CE2-CE 3.58Å |
| 40 | I | 98.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.5 | 179.2 | -64.6 | 165.3 | 0 | 0 | 0 | 108.6 | L38 L101 F123 S128 L131 F135 | L38-I40 HydrophobicContact CD2-CG1 4.27Å; L38-I40 HydrophobicContact CG-CG1 4.12Å; I40-L101 HydrophobicContact CD1-CD1 3.65Å; I40-L101 HydrophobicContact CG1-CD1 4.07Å; I40-L101 HydrophobicContact CG1-CD2 4.06Å; I40-L101 HydrophobicContact CG2-CD1 4.18Å; I40-L101 HydrophobicContact CG2-CD2 4.25Å; I40-F123 PolarHBondContact N-O 2.86Å; I40-S128 VanDerWaalsContact O-CB 3.24Å; I40-S128 WeakPolarHBondContact O-CB 3.25Å; I40-S128 PolarHBondContact O-OG 3.21Å; I40-L131 HydrophobicContact CG2-CB 3.89Å; I40-L131 HydrophobicContact CG2-CD1 4.03Å; I40-F135 HydrophobicContact CD1-CB 4.4Å; I40-F135 HydrophobicContact CD1-CD1 4.38Å |
| 41 | G | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 145.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V70 | G41-V70 WeakPolarHBondContact CA-O 3.28Å; G41-V70 PolarHBondContact N-O 3.18Å |
| 42 | G | 96.8 | Very high | 96.5 | Very high | 11 Ų | 11 | 38.2 Ų | 38.2 | 11% | 0.113 | 20% | 0.203 | C | C | . | . | trans | -105 | -138.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G44 H72 | G42-G44 PolarHBondContact O-N 2.81Å; G42-H72 WeakPolarHBondContact O-CB 3.32Å | ||
| 43 | E | 96.1 | Very high | 96.7 | Very high | 60 Ų | 60 | 36.8 Ų | 36.8 | 28% | 0.28 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -74.7 | 36.1 | -176.3 | 69 | -83 | -154.1 | 0 | 0 | 114.1 | Y75 Y127 W311 | E43-Y75 VanDerWaalsContact C-CE1 3.41Å; E43-Y75 VanDerWaalsContact CA-CE1 3.43Å; E43-Y75 HydrophobicContact CB-CE1 3.87Å; E43-Y75 WeakPolarHBondContact O-CD1 3.3Å; E43-Y75 WeakPolarHBondContact O-CE1 3.28Å; E43-Y127 HydrophobicContact CB-CD1 4.29Å; E43-Y127 WeakPolarHBondContact OE2-CB 3.43Å; E43-W311 HydrophobicContact CB-CD2 4.06Å; E43-W311 HydrophobicContact CB-CE3 3.6Å; E43-W311 HydrophobicContact CB-CG 4.47Å; E43-W311 HydrophobicContact CB-CZ3 4.15Å; E43-W311 HydrophobicContact CG-CD2 4.22Å; E43-W311 HydrophobicContact CG-CE3 4.15Å |
| 44 | G | 94.7 | Very high | 97 | Very high | 20 Ų | 20 | 33.4 Ų | 33.4 | 21% | 0.206 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -164.9 | 170.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G42 | G42-G44 PolarHBondContact O-N 2.81Š|
| 45 | P | 95.1 | Very high | 97 | Very high | 45 Ų | 45 | 33.4 Ų | 33.4 | 29% | 0.292 | 18% | 0.179 | S | C | . | . | trans | -62.9 | 140.1 | 171.2 | 27 | -33.3 | 0 | 0 | 0 | 110.8 | Y47 E71 | P45-Y47 HydrophobicContact CB-CE2 4.21Å; P45-Y47 HydrophobicContact CG-CE2 3.78Å; P45-Y47 VanDerWaalsContact CG-OH 3.23Å; P45-Y47 WeakPolarHBondContact CG-OH 3.31Å; P45-Y47 WeakPolarHBondContact O-CD2 3.33Å; P45-Y47 VanDerWaalsContact O-CE2 3.31Å; P45-Y47 WeakPolarHBondContact O-CE2 2.97Å; P45-E71 WeakPolarHBondContact CA-OE1 3.34Å | ||
| 46 | I | 96.4 | Very high | 97 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | trans | -81.7 | 161.2 | 162.4 | 62.2 | 167.7 | 0 | 0 | 0 | 110.3 | R21 F23 D50 A69 E71 | R21-I46 PolarHBondContact NH2-O 3.4Å; F23-I46 HydrophobicContact CD2-CD1 3.68Å; F23-I46 HydrophobicContact CD2-CG1 4.02Å; F23-I46 HydrophobicContact CE2-CB 4.45Å; F23-I46 HydrophobicContact CE2-CD1 3.91Å; F23-I46 HydrophobicContact CE2-CG1 3.8Å; I46-D50 WeakPolarHBondContact CA-OD2 3.17Å; I46-D50 WeakPolarHBondContact CB-OD2 3.35Å; I46-A69 HydrophobicContact CD1-CB 4.39Å; I46-E71 HydrophobicContact CD1-CB 3.74Å; I46-E71 HydrophobicContact CG1-CB 3.71Å; I46-E71 HydrophobicContact CG1-CG 4.09Å; I46-E71 WeakPolarHBondContact CG1-OE1 3.35Å; I46-E71 HydrophobicContact CG2-CB 4.39Å; I46-E71 PolarHBondContact N-OE1 3.34Å | ||
| 47 | Y | 95.8 | Very high | 97 | Very high | 123 Ų | 123 | 33.2 Ų | 33.2 | 48% | 0.482 | 18% | 0.177 | S | C | . | . | trans | -136.7 | 167.1 | 179.6 | -62 | -85.1 | 0 | 0 | 0 | 111.1 | F23 P45 F49 D50 | F23-Y47 VanDerWaalsContact CD2-O 3.29Å; F23-Y47 WeakPolarHBondContact CD2-O 3.3Å; P45-Y47 HydrophobicContact CB-CE2 4.21Å; P45-Y47 HydrophobicContact CG-CE2 3.78Å; P45-Y47 VanDerWaalsContact CG-OH 3.23Å; P45-Y47 WeakPolarHBondContact CG-OH 3.31Å; P45-Y47 WeakPolarHBondContact O-CD2 3.33Å; P45-Y47 VanDerWaalsContact O-CE2 3.31Å; P45-Y47 WeakPolarHBondContact O-CE2 2.97Å; Y47-F49 VanDerWaalsContact CB-CE1 3.47Å; Y47-F49 HydrophobicContact CD2-CD1 4.18Å; Y47-F49 AromaticContact CD2-CE1 3.39Å; Y47-F49 HydrophobicContact CD2-CE1 3.39Å; Y47-F49 HydrophobicContact CD2-CZ 4.12Å; Y47-F49 HydrophobicContact CE2-CE1 4.32Å; Y47-F49 HydrophobicContact CG-CD1 4.02Å; Y47-F49 AromaticContact CG-CE1 3.69Å; Y47-F49 HydrophobicContact CG-CE1 3.69Å; Y47-F49 PolarHBondContact O-N 2.69Å; Y47-F49 VanDerWaalsContact O-N 3.12Å; Y47-D50 PolarHBondContact N-OD2 3.14Å; Y47-D50 WeakPolarHBondContact O-CB 3.44Å; Y47-D50 PolarHBondContact O-N 3.42Å; Y47-D50 VanDerWaalsContact O-N 3.09Å | ||
| 48 | N | 95.4 | Very high | 96.9 | Very high | 98 Ų | 98 | 36 Ų | 36 | 52% | 0.524 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -56 | -31.5 | 175.9 | -71 | -23.8 | 0 | 0 | 0 | 112.1 | F23 D50 V51 L52 | F23-N48 WeakPolarHBondContact CD1-OD1 3.3Å; F23-N48 WeakPolarHBondContact CE1-OD1 3.27Å; F23-N48 WeakPolarHBondContact CZ-OD1 3.22Å; N48-D50 PolarHBondContact O-N 2.71Å; N48-V51 WeakPolarHBondContact O-CG2 3.48Å; N48-V51 PolarHBondContact O-N 2.97Å; N48-L52 HydrophobicContact CB-CD1 4.05Å; N48-L52 WeakPolarHBondContact O-CD1 3.46Å; N48-L52 VanDerWaalsContact O-CG 3.23Å; N48-L52 WeakPolarHBondContact O-CG 3.17Å; N48-L52 PolarHBondContact O-N 3.25Å |
| 49 | F | 94.1 | Very high | 96.9 | Very high | 118 Ų | 118 | 36.1 Ų | 36.1 | 52% | 0.518 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -61.7 | -27.2 | -178.6 | 79.3 | -103.9 | 0 | 0 | 0 | 112.6 | Y47 V51 L52 A53 | Y47-F49 VanDerWaalsContact CB-CE1 3.47Å; Y47-F49 HydrophobicContact CD2-CD1 4.18Å; Y47-F49 AromaticContact CD2-CE1 3.39Å; Y47-F49 HydrophobicContact CD2-CE1 3.39Å; Y47-F49 HydrophobicContact CD2-CZ 4.12Å; Y47-F49 HydrophobicContact CE2-CE1 4.32Å; Y47-F49 HydrophobicContact CG-CD1 4.02Å; Y47-F49 AromaticContact CG-CE1 3.69Å; Y47-F49 HydrophobicContact CG-CE1 3.69Å; Y47-F49 PolarHBondContact O-N 2.69Å; Y47-F49 VanDerWaalsContact O-N 3.12Å; F49-V51 PolarHBondContact O-N 3.45Å; F49-L52 PolarHBondContact O-N 2.92Å; F49-A53 PolarHBondContact O-N 3.46Å |
| 50 | D | 96.8 | Very high | 96.8 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 6% | 0.059 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -63.5 | -14.1 | -179.8 | -63.7 | -48.7 | 0 | 0 | 0 | 113.2 | F39 I46 Y47 N48 H56 A69 | F39-D50 HydrophobicContact CD1-CB 4.08Å; F39-D50 HydrophobicContact CE1-CB 4.23Å; I46-D50 WeakPolarHBondContact CA-OD2 3.17Å; I46-D50 WeakPolarHBondContact CB-OD2 3.35Å; Y47-D50 PolarHBondContact N-OD2 3.14Å; Y47-D50 WeakPolarHBondContact O-CB 3.44Å; Y47-D50 PolarHBondContact O-N 3.42Å; Y47-D50 VanDerWaalsContact O-N 3.09Å; N48-D50 PolarHBondContact O-N 2.71Å; D50-H56 PolarHBondContact O-NE2 2.91Å; D50-A69 HydrophobicContact CB-CB 3.81Å |
| 51 | V | 97.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -118.1 | 4.7 | 171.8 | -60.4 | 0 | 0 | 0 | 0 | 113.3 | F23 N25 N48 F49 L67 A69 | F23-V51 HydrophobicContact CB-CG1 3.98Å; F23-V51 HydrophobicContact CB-CG2 3.84Å; N25-V51 HydrophobicContact CB-CB 3.85Å; N25-V51 HydrophobicContact CB-CG2 3.95Å; N25-V51 WeakPolarHBondContact CB-O 3.42Å; N25-V51 PolarHBondContact ND2-O 2.74Å; N48-V51 WeakPolarHBondContact O-CG2 3.48Å; N48-V51 PolarHBondContact O-N 2.97Å; F49-V51 PolarHBondContact O-N 3.45Å; V51-L67 HydrophobicContact CB-CB 4.38Å; V51-A69 HydrophobicContact CG1-CB 3.57Å |
| 52 | L | 97.5 | Very high | 96.7 | Very high | 106 Ų | 106 | 46.7 Ų | 46.7 | 56% | 0.555 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | -23.2 | -176.2 | -63.3 | 173.8 | 0 | 0 | 0 | 113.9 | N48 F49 | N48-L52 HydrophobicContact CB-CD1 4.05Å; N48-L52 WeakPolarHBondContact O-CD1 3.46Å; N48-L52 VanDerWaalsContact O-CG 3.23Å; N48-L52 WeakPolarHBondContact O-CG 3.17Å; N48-L52 PolarHBondContact O-N 3.25Å; F49-L52 PolarHBondContact O-N 2.92Å |
| 53 | A | 96.3 | Very high | 96.8 | Very high | 41 Ų | 41 | 48.1 Ų | 48.1 | 34% | 0.339 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -147.6 | 157.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | F49 H56 V57 | F49-A53 PolarHBondContact O-N 3.46Å; A53-H56 PolarHBondContact O-CE1 3.31Å; A53-V57 WeakPolarHBondContact O-CG2 3.46Å |
| 54 | G | 96.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 52 Ų | 52 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 119.5 | 163.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | H56 V57 D58 M414 | G54-H56 VanDerWaalsContact C-N 3.29Å; G54-H56 PolarHBondContact O-N 2.9Å; G54-V57 WeakPolarHBondContact O-CA 3.28Å; G54-V57 WeakPolarHBondContact O-CB 3.39Å; G54-V57 PolarHBondContact O-N 2.92Å; G54-D58 PolarHBondContact O-N 3.48Å; G54-M414 CarbonylContact C-O 3.49Å; G54-M414 VanDerWaalsContact CA-O 3.32Å; G54-M414 WeakPolarHBondContact CA-O 3.35Å |
| 55 | H | 97.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.9 | -35.8 | -175.8 | -173.8 | -138.4 | 0 | 0 | 0 | 112.6 | V57 D58 M59 D413 M414 R429 E433 | H55-V57 VanDerWaalsContact C-N 3.27Å; H55-V57 PolarHBondContact O-N 3.18Å; H55-D58 PolarHBondContact O-N 3.35Å; H55-M59 WeakPolarHBondContact O-CG 3.41Å; H55-M59 PolarHBondContact O-N 2.75Å; H55-D413 WeakPolarHBondContact CB-O 3.49Å; H55-M414 PolarHBondContact N-O 3.04Å; H55-R429 PolarHBondContact CE1-O 3.41Å; H55-E433 IonicContact CD2-OE1 2.59Å; H55-E433 IonicContact CE1-OE1 2.71Å; H55-E433 WeakPolarHBondContact NE2-CG 3.47Å; H55-E433 IonicContact NE2-OE1 3.54Å; H55-E433 PolarHBondContact NE2-OE1 3.31Å |
| 56 | H | 98.1 | Very high | 97.3 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -31.7 | 172.8 | 62.9 | -64.2 | 0 | 0 | 0 | 112.9 | F37 F39 D50 A53 G54 A60 F123 | F37-H56 WeakPolarHBondContact CD2-O 3.27Å; F39-H56 AromaticContact CD2-CD2 3.92Å; F39-H56 AromaticContact CD2-CE1 3.82Å; F39-H56 AromaticContact CD2-NE2 3.55Å; D50-H56 PolarHBondContact O-NE2 2.91Å; A53-H56 PolarHBondContact O-CE1 3.31Å; G54-H56 VanDerWaalsContact C-N 3.29Å; G54-H56 PolarHBondContact O-N 2.9Å; H56-A60 VanDerWaalsContact O-CB 3.28Å; H56-A60 WeakPolarHBondContact O-CB 3.31Å; H56-A60 PolarHBondContact O-N 3.23Å; H56-F123 HydrophobicContact CB-CB 4.27Å; H56-F123 HydrophobicContact CB-CD1 3.76Å; H56-F123 HydrophobicContact CB-CD2 4.19Å; H56-F123 HydrophobicContact CB-CE1 4.13Å; H56-F123 HydrophobicContact CB-CG 3.8Å; H56-F123 HydrophobicContact CB-CZ 4.5Å |
| 57 | V | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.9 | -40.5 | 175 | 178.8 | 0 | 0 | 0 | 0 | 111 | Y28 A53 G54 H55 A60 K61 L67 | Y28-V57 HydrophobicContact CE2-CG1 4.16Å; A53-V57 WeakPolarHBondContact O-CG2 3.46Å; G54-V57 WeakPolarHBondContact O-CA 3.28Å; G54-V57 WeakPolarHBondContact O-CB 3.39Å; G54-V57 PolarHBondContact O-N 2.92Å; H55-V57 VanDerWaalsContact C-N 3.27Å; H55-V57 PolarHBondContact O-N 3.18Å; V57-A60 WeakPolarHBondContact O-CB 3.49Å; V57-A60 PolarHBondContact O-N 3.4Å; V57-K61 PolarHBondContact O-N 3.31Å; V57-L67 HydrophobicContact CB-CD1 4.19Å; V57-L67 HydrophobicContact CG1-CD1 3.81Å; V57-L67 HydrophobicContact CG2-CD1 4.05Å; V57-L67 HydrophobicContact CG2-CD2 4.29Å |
| 58 | D | 97.3 | Very high | 97.5 | Very high | 59 Ų | 59 | 42.9 Ų | 42.9 | 32% | 0.316 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62 | -46.3 | 176 | -67.3 | -33.8 | 0 | 0 | 0 | 110.7 | G54 H55 A60 K61 E62 | G54-D58 PolarHBondContact O-N 3.48Å; H55-D58 PolarHBondContact O-N 3.35Å; D58-A60 PolarHBondContact O-N 3.21Å; D58-K61 WeakPolarHBondContact O-CB 3.36Å; D58-K61 PolarHBondContact O-N 3.39Å; D58-E62 PolarHBondContact O-N 3.32Å; D58-E62 VanDerWaalsContact O-N 3.16Å |
| 59 | M | 97.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.015 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 173.1 | -71.5 | -172.9 | -78.6 | 0 | 0 | 112.6 | F37 H55 K61 E62 H63 F123 I432 E433 V436 | F37-M59 HydrophobicContact CE2-CB 3.71Å; H55-M59 WeakPolarHBondContact O-CG 3.41Å; H55-M59 PolarHBondContact O-N 2.75Å; M59-K61 VanDerWaalsContact C-N 3.3Å; M59-K61 PolarHBondContact O-N 3.03Å; M59-E62 PolarHBondContact O-N 3.16Å; M59-H63 WeakPolarHBondContact O-CB 3.43Å; M59-H63 PolarHBondContact O-CD2 2.95Å; M59-H63 VanDerWaalsContact O-CD2 3.25Å; M59-H63 PolarHBondContact O-N 3.43Å; M59-F123 HydrophobicContact CE-CD1 4.39Å; M59-F123 HydrophobicContact CE-CE1 3.62Å; M59-F123 HydrophobicContact CE-CZ 4.35Å; M59-I432 HydrophobicContact CE-CG2 4.1Å; M59-I432 HydrophobicContact SD-CG2 4.29Å; M59-E433 HydrophobicContact CG-CG 3.74Å; M59-E433 HydrophobicContact SD-CB 4.43Å; M59-E433 HydrophobicContact SD-CG 3.84Å; M59-V436 HydrophobicContact SD-CB 4.21Å; M59-V436 HydrophobicContact SD-CG2 4.04Å |
| 60 | A | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -37.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F37 H56 V57 D58 R64 A65 L67 | F37-A60 HydrophobicContact CD2-CB 3.65Å; F37-A60 HydrophobicContact CE2-CB 4.17Å; F37-A60 HydrophobicContact CG-CB 4.31Å; H56-A60 VanDerWaalsContact O-CB 3.28Å; H56-A60 WeakPolarHBondContact O-CB 3.31Å; H56-A60 PolarHBondContact O-N 3.23Å; V57-A60 WeakPolarHBondContact O-CB 3.49Å; V57-A60 PolarHBondContact O-N 3.4Å; D58-A60 PolarHBondContact O-N 3.21Å; A60-R64 CarbonylContact O-C 3.55Å; A60-R64 WeakPolarHBondContact O-CA 3.49Å; A60-R64 PolarHBondContact O-N 3.5Å; A60-A65 HydrophobicContact CB-CB 3.84Å; A60-A65 PolarHBondContact O-N 3.41Å; A60-L67 HydrophobicContact CB-CD1 3.66Å; A60-L67 HydrophobicContact CB-CD2 3.54Å; A60-L67 HydrophobicContact CB-CG 3.48Å; A60-L67 VanDerWaalsContact CB-CG 3.48Å |
| 61 | K | 97.8 | Very high | 98 | Very high | 129 Ų | 129 | 32.1 Ų | 32.1 | 56% | 0.561 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -63.5 | -44.2 | 174.5 | -179.7 | -177.9 | 174.8 | -171.5 | 0 | 111.4 | Y28 V57 D58 M59 | Y28-K61 HydrophobicContact CD1-CB 4.21Å; Y28-K61 HydrophobicContact CD1-CG 3.88Å; Y28-K61 HydrophobicContact CD2-CB 4.03Å; Y28-K61 HydrophobicContact CE1-CB 4.41Å; Y28-K61 HydrophobicContact CE1-CD 4.17Å; Y28-K61 HydrophobicContact CE1-CG 4Å; Y28-K61 HydrophobicContact CE2-CB 4.22Å; Y28-K61 HydrophobicContact CG-CB 4.03Å; Y28-K61 HydrophobicContact CG-CG 4.2Å; V57-K61 PolarHBondContact O-N 3.31Å; D58-K61 WeakPolarHBondContact O-CB 3.36Å; D58-K61 PolarHBondContact O-N 3.39Å; M59-K61 VanDerWaalsContact C-N 3.3Å; M59-K61 PolarHBondContact O-N 3.03Å |
| 62 | E | 97.6 | Very high | 98 | Very high | 125 Ų | 125 | 32.1 Ų | 32.1 | 58% | 0.584 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -63.6 | -45.7 | 177.6 | -175.9 | 176.9 | 172.2 | 0 | 0 | 112.1 | D58 M59 R64 | D58-E62 PolarHBondContact O-N 3.32Å; D58-E62 VanDerWaalsContact O-N 3.16Å; M59-E62 PolarHBondContact O-N 3.16Å; E62-R64 VanDerWaalsContact C-N 3.32Å; E62-R64 PolarHBondContact O-N 3.21Å |
| 63 | H | 98 | Very high | 98 | Very high | 41 Ų | 41 | 27.1 Ų | 27.1 | 19% | 0.19 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -88.8 | 4.6 | -177.1 | -64.9 | -53.7 | 0 | 0 | 0 | 114.5 | P35 F37 M59 A65 L440 | P35-H63 WeakPolarHBondContact CD-O 3.15Å; P35-H63 HydrophobicContact CG-CB 4.29Å; F37-H63 HydrophobicContact CZ-CB 4.35Å; M59-H63 WeakPolarHBondContact O-CB 3.43Å; M59-H63 PolarHBondContact O-CD2 2.95Å; M59-H63 VanDerWaalsContact O-CD2 3.25Å; M59-H63 PolarHBondContact O-N 3.43Å; H63-A65 VanDerWaalsContact C-N 3.29Å; H63-A65 PolarHBondContact O-N 2.93Å; H63-L440 HydrophobicContact CB-CD1 3.85Å |
| 64 | R | 98.3 | Very high | 98 | Very high | 140 Ų | 140 | 25.8 Ų | 25.8 | 53% | 0.528 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 45.2 | -179.3 | -55.2 | 174.2 | 178.4 | 178.1 | -2 | 112.7 | Y28 W29 Q30 A60 E62 | Y28-R64 CarbonylContact O-C 3.57Å; Y28-R64 VanDerWaalsContact O-C 3.28Å; Y28-R64 WeakPolarHBondContact O-CA 3.38Å; Y28-R64 VanDerWaalsContact O-CB 3.31Å; Y28-R64 WeakPolarHBondContact O-CB 3.4Å; W29-R64 WeakPolarHBondContact CA-O 3.46Å; Q30-R64 HydrophobicContact CB-CB 3.69Å; Q30-R64 HydrophobicContact CB-CG 4.5Å; Q30-R64 PolarHBondContact N-O 3.13Å; A60-R64 CarbonylContact O-C 3.55Å; A60-R64 WeakPolarHBondContact O-CA 3.49Å; A60-R64 PolarHBondContact O-N 3.5Å; E62-R64 VanDerWaalsContact C-N 3.32Å; E62-R64 PolarHBondContact O-N 3.21Å |
| 65 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -85.1 | 152.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P35 F37 A60 H63 | P35-A65 HydrophobicContact CG-CB 3.85Å; P35-A65 CarbonylContact O-C 3.6Å; P35-A65 WeakPolarHBondContact O-CA 3.32Å; P35-A65 WeakPolarHBondContact O-CB 3.35Å; F37-A65 HydrophobicContact CB-CB 4.34Å; F37-A65 HydrophobicContact CD1-CB 3.83Å; F37-A65 HydrophobicContact CD2-CB 4.24Å; F37-A65 HydrophobicContact CE1-CB 4.16Å; F37-A65 HydrophobicContact CG-CB 3.86Å; F37-A65 HydrophobicContact CZ-CB 4.49Å; A60-A65 HydrophobicContact CB-CB 3.84Å; A60-A65 PolarHBondContact O-N 3.41Å; H63-A65 VanDerWaalsContact C-N 3.29Å; H63-A65 PolarHBondContact O-N 2.93Å |
| 66 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 125.4 | 160.9 | 177.3 | 61.8 | 0 | 0 | 0 | 108.8 | V24 E26 W29 P35 V36 F37 L68 F112 L114 | V24-L66 HydrophobicContact CG1-CD1 3.81Å; E26-L66 HydrophobicContact CB-CD1 4.48Å; E26-L66 HydrophobicContact CG-CD1 3.88Å; W29-L66 HydrophobicContact CB-CB 4.2Å; W29-L66 HydrophobicContact CD2-CB 3.87Å; W29-L66 HydrophobicContact CD2-CD1 4.24Å; W29-L66 HydrophobicContact CD2-CG 4.44Å; W29-L66 HydrophobicContact CE3-CB 4.46Å; W29-L66 HydrophobicContact CE3-CD1 4.02Å; W29-L66 HydrophobicContact CE3-CD2 4.49Å; W29-L66 HydrophobicContact CG-CB 3.69Å; W29-L66 HydrophobicContact CG-CD1 4.45Å; P35-L66 PolarHBondContact O-N 3.16Å; V36-L66 WeakPolarHBondContact CA-O 3.34Å; V36-L66 HydrophobicContact CG1-CB 4.47Å; V36-L66 HydrophobicContact CG1-CD2 4.45Å; V36-L66 HydrophobicContact CG2-CB 4.33Å; V36-L66 HydrophobicContact CG2-CD2 4.38Å; F37-L66 PolarHBondContact N-O 3.14Å; L66-L68 HydrophobicContact CD2-CD2 4.37Å; L66-L68 HydrophobicContact CG-CD2 4.28Å; L66-L68 HydrophobicContact CG-CG 4.36Å; L66-F112 HydrophobicContact CD2-CD1 4.32Å; L66-F112 HydrophobicContact CD2-CG 4.23Å; L66-L114 HydrophobicContact CD2-CD1 4.33Å; L66-L114 HydrophobicContact CD2-CD2 4.5Å |
| 67 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 132.5 | 177.8 | -82.4 | 163.3 | 0 | 0 | 0 | 111.2 | V24 N25 Y28 F37 V51 V57 A60 | V24-L67 CarbonylContact C-O 3.55Å; V24-L67 WeakPolarHBondContact CA-O 3.45Å; N25-L67 HydrophobicContact CB-CB 3.99Å; N25-L67 HydrophobicContact CB-CD1 4.47Å; N25-L67 PolarHBondContact N-O 3.02Å; N25-L67 PolarHBondContact O-N 3.21Å; N25-L67 VanDerWaalsContact O-N 3.07Å; Y28-L67 HydrophobicContact CD2-CD1 4.15Å; Y28-L67 HydrophobicContact CE2-CD1 4.39Å; F37-L67 HydrophobicContact CB-CD2 3.92Å; V51-L67 HydrophobicContact CB-CB 4.38Å; V57-L67 HydrophobicContact CB-CD1 4.19Å; V57-L67 HydrophobicContact CG1-CD1 3.81Å; V57-L67 HydrophobicContact CG2-CD1 4.05Å; V57-L67 HydrophobicContact CG2-CD2 4.29Å; A60-L67 HydrophobicContact CB-CD1 3.66Å; A60-L67 HydrophobicContact CB-CD2 3.54Å; A60-L67 HydrophobicContact CB-CG 3.48Å; A60-L67 VanDerWaalsContact CB-CG 3.48Å |
| 68 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142.5 | 177.4 | -56.1 | 168.4 | 0 | 0 | 0 | 109.1 | F23 V24 V36 F37 L38 F39 L66 F104 I108 W120 | F23-L68 WeakPolarHBondContact O-CA 3.49Å; V24-L68 HydrophobicContact CB-CD2 4.23Å; V24-L68 HydrophobicContact CG1-CD2 3.93Å; V24-L68 HydrophobicContact CG2-CD2 3.72Å; V36-L68 HydrophobicContact CG1-CD1 3.37Å; V36-L68 HydrophobicContact CG1-CG 4.11Å; F37-L68 PolarHBondContact O-N 3.3Å; L38-L68 HydrophobicContact CD1-CB 3.82Å; L38-L68 HydrophobicContact CD1-CD1 4.48Å; F39-L68 PolarHBondContact N-O 2.96Å; L66-L68 HydrophobicContact CD2-CD2 4.37Å; L66-L68 HydrophobicContact CG-CD2 4.28Å; L66-L68 HydrophobicContact CG-CG 4.36Å; L68-F104 HydrophobicContact CB-CE1 4.45Å; L68-F104 HydrophobicContact CD1-CE1 4.35Å; L68-I108 HydrophobicContact CD1-CB 4.47Å; L68-I108 HydrophobicContact CD1-CG1 4.28Å; L68-I108 HydrophobicContact CD1-CG2 3.73Å; L68-I108 HydrophobicContact CD2-CD1 4.12Å; L68-I108 HydrophobicContact CD2-CG1 4.49Å; L68-I108 HydrophobicContact CD2-CG2 4.29Å; L68-W120 HydrophobicContact CD1-CH2 3.64Å; L68-W120 HydrophobicContact CD1-CZ3 3.56Å |
| 69 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | F22 F23 F39 I46 D50 V51 | F22-A69 CarbonylContact C-O 3.57Å; F22-A69 WeakPolarHBondContact CA-O 3.29Å; F22-A69 WeakPolarHBondContact CB-O 3.45Å; F23-A69 HydrophobicContact CB-CB 4.45Å; F23-A69 PolarHBondContact N-O 3.47Å; F23-A69 PolarHBondContact O-N 2.95Å; F39-A69 HydrophobicContact CB-CB 4.1Å; F39-A69 HydrophobicContact CD1-CB 4.21Å; F39-A69 VanDerWaalsContact O-CA 3.28Å; F39-A69 WeakPolarHBondContact O-CA 3.46Å; I46-A69 HydrophobicContact CD1-CB 4.39Å; D50-A69 HydrophobicContact CB-CB 3.81Å; V51-A69 HydrophobicContact CG1-CB 3.57Å |
| 70 | V | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 132.9 | -178.4 | 63.4 | 0 | 0 | 0 | 0 | 110.7 | Q20 F22 L38 F39 G41 L101 F104 | Q20-V70 HydrophobicContact CG-CG2 4.12Å; F22-V70 HydrophobicContact CB-CB 4.36Å; F22-V70 HydrophobicContact CB-CG2 4.36Å; L38-V70 HydrophobicContact CD1-CB 4.45Å; L38-V70 HydrophobicContact CD1-CG1 3.88Å; F39-V70 PolarHBondContact O-N 3.4Å; F39-V70 VanDerWaalsContact O-N 3.07Å; G41-V70 WeakPolarHBondContact CA-O 3.28Å; G41-V70 PolarHBondContact N-O 3.18Å; V70-L101 HydrophobicContact CG1-CD2 3.45Å; V70-L101 VanDerWaalsContact CG1-CD2 3.45Å; V70-F104 HydrophobicContact CB-CD1 3.9Å; V70-F104 HydrophobicContact CB-CE1 3.73Å; V70-F104 HydrophobicContact CB-CG 4.37Å; V70-F104 HydrophobicContact CB-CZ 4.06Å; V70-F104 HydrophobicContact CG1-CD1 4.12Å; V70-F104 HydrophobicContact CG1-CE1 4.21Å; V70-F104 HydrophobicContact CG2-CD1 3.95Å; V70-F104 HydrophobicContact CG2-CD2 4.1Å; V70-F104 HydrophobicContact CG2-CE1 4.14Å; V70-F104 HydrophobicContact CG2-CE2 4.28Å; V70-F104 HydrophobicContact CG2-CG 3.91Å; V70-F104 HydrophobicContact CG2-CZ 4.29Å |
| 71 | E | 98.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -80.1 | 142.8 | -175.9 | -169 | 157.4 | -102.8 | 0 | 0 | 111.5 | Q20 R21 P45 I46 Y75 D77 S78 | Q20-E71 VanDerWaalsContact CG-O 3.31Å; Q20-E71 WeakPolarHBondContact CG-O 3.27Å; Q20-E71 PolarHBondContact NE2-O 3.39Å; R21-E71 HydrophobicContact CB-CB 4.11Å; R21-E71 WeakPolarHBondContact CB-OE2 3.37Å; R21-E71 IonicContact CZ-OE1 3.77Å; R21-E71 VanDerWaalsContact CZ-OE1 3.25Å; R21-E71 IonicContact CZ-OE2 3.34Å; R21-E71 IonicContact NE-OE1 3.59Å; R21-E71 PolarHBondContact NE-OE1 2.98Å; R21-E71 VanDerWaalsContact NE-OE1 3.13Å; R21-E71 IonicContact NE-OE2 2.93Å; R21-E71 PolarHBondContact NE-OE2 2.79Å; R21-E71 VanDerWaalsContact NE-OE2 3.1Å; R21-E71 IonicContact NH2-OE1 3.36Å; R21-E71 PolarHBondContact NH2-OE1 3.09Å; R21-E71 IonicContact NH2-OE2 2.83Å; R21-E71 VanDerWaalsContact O-CB 3.28Å; R21-E71 WeakPolarHBondContact O-CB 3.5Å; R21-E71 PolarHBondContact O-N 3.32Å; P45-E71 WeakPolarHBondContact CA-OE1 3.34Å; I46-E71 HydrophobicContact CD1-CB 3.74Å; I46-E71 HydrophobicContact CG1-CB 3.71Å; I46-E71 HydrophobicContact CG1-CG 4.09Å; I46-E71 WeakPolarHBondContact CG1-OE1 3.35Å; I46-E71 HydrophobicContact CG2-CB 4.39Å; I46-E71 PolarHBondContact N-OE1 3.34Å; E71-Y75 VanDerWaalsContact CD-O 3.31Å; E71-D77 PolarHBondContact OE2-N 3.16Å; E71-S78 VanDerWaalsContact CB-OG 3.32Å; E71-S78 WeakPolarHBondContact CB-OG 3.38Å; E71-S78 WeakPolarHBondContact CG-OG 2.88Å; E71-S78 PolarHBondContact OE2-N 3.29Å; E71-S78 PolarHBondContact OE2-OG 2.84Å |
| 72 | H | 98.6 | Very high | 96.1 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 2% | 0.023 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 141.3 | 175 | -163.8 | -72.5 | 0 | 0 | 0 | 111.5 | G42 Y75 A97 Y127 L131 | G42-H72 WeakPolarHBondContact O-CB 3.32Å; H72-Y75 HydrophobicContact CB-CD2 3.78Å; H72-Y75 HydrophobicContact CB-CG 4.48Å; H72-Y75 AromaticContact CG-CD2 3.76Å; H72-Y75 AromaticContact ND1-CD2 3.42Å; H72-Y75 WeakPolarHBondContact ND1-CD2 3.38Å; H72-Y75 AromaticContact ND1-CE2 3.6Å; H72-Y75 PolarHBondContact O-N 2.85Å; H72-Y75 VanDerWaalsContact O-N 3.15Å; H72-A97 WeakPolarHBondContact NE2-CB 3.01Å; H72-Y127 AromaticContact CD2-CE1 3.69Å; H72-Y127 AromaticContact NE2-CE1 3.5Å; H72-Y127 WeakPolarHBondContact NE2-CE1 3.48Å; H72-Y127 AromaticContact NE2-CZ 3.51Å; H72-Y127 PolarHBondContact NE2-OH 3.13Å; H72-L131 VanDerWaalsContact CD2-CD1 3.43Å; H72-L131 WeakPolarHBondContact CD2-CD1 3.17Å |
| 73 | R | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 142.4 | 170.6 | 59.3 | 166.2 | 58.7 | -148.3 | -7.2 | 111.2 | P6 L7 H9 F18 Y75 D91 L92 Q96 A97 D100 | P6-R73 PolarHBondContact O-NH2 3.16Å; L7-R73 PolarHBondContact O-NH1 2.84Å; H9-R73 PolarHBondContact CD2-NH2 3.03Å; H9-R73 VanDerWaalsContact CD2-NH2 3.27Å; H9-R73 PolarHBondContact NE2-NH2 3.05Å; F18-R73 HydrophobicContact CE1-CB 4.4Å; F18-R73 HydrophobicContact CE2-CB 3.87Å; F18-R73 HydrophobicContact CZ-CB 3.61Å; R73-Y75 VanDerWaalsContact O-CD2 3.27Å; R73-Y75 WeakPolarHBondContact O-CD2 2.86Å; R73-Y75 PolarHBondContact O-N 3.28Å; R73-D91 WeakPolarHBondContact CD-O 3.27Å; R73-D91 PolarHBondContact NH1-O 2.55Å; R73-L92 HydrophobicContact CG-CD1 4.44Å; R73-Q96 VanDerWaalsContact NH1-CB 3.31Å; R73-A97 HydrophobicContact CG-CB 4.35Å; R73-D100 IonicContact CZ-OD1 3.32Å; R73-D100 IonicContact CZ-OD2 3.64Å; R73-D100 IonicContact NE-OD1 2.69Å; R73-D100 IonicContact NE-OD2 2.75Å; R73-D100 PolarHBondContact NE-OD2 3.49Å; R73-D100 VanDerWaalsContact NH2-CG 3.25Å; R73-D100 IonicContact NH2-OD1 3.14Å; R73-D100 PolarHBondContact NH2-OD1 3.48Å; R73-D100 IonicContact NH2-OD2 3.76Å; R73-D100 PolarHBondContact NH2-OD2 2.99Å; R73-D100 VanDerWaalsContact NH2-OD2 3.14Å |
| 74 | F | 96.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 23.7 Ų | 23.7 | 6% | 0.061 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 2.9 | -177.1 | -61.9 | -94.2 | 0 | 0 | 0 | 116.4 | S78 I79 L84 N88 L89 D91 L92 Q310 | F74-S78 PolarHBondContact N-O 3.01Å; F74-I79 VanDerWaalsContact O-CD1 3.29Å; F74-I79 WeakPolarHBondContact O-CD1 3.03Å; F74-L84 HydrophobicContact CD1-CD2 4.03Å; F74-N88 HydrophobicContact CE1-CB 4.43Å; F74-N88 WeakPolarHBondContact CE1-O 3.15Å; F74-N88 WeakPolarHBondContact CZ-O 3.46Å; F74-L89 HydrophobicContact CD1-CD2 3.86Å; F74-L89 HydrophobicContact CE1-CD2 4.24Å; F74-D91 HydrophobicContact CE2-CB 3.9Å; F74-D91 HydrophobicContact CZ-CB 3.92Å; F74-L92 HydrophobicContact CB-CD1 4.06Å; F74-L92 HydrophobicContact CB-CD2 4.15Å; F74-L92 HydrophobicContact CB-CG 4.46Å; F74-L92 HydrophobicContact CD2-CB 3.72Å; F74-L92 HydrophobicContact CD2-CD1 4.08Å; F74-L92 HydrophobicContact CD2-CG 4.4Å; F74-L92 HydrophobicContact CE2-CB 4.08Å; F74-L92 HydrophobicContact CG-CB 4.04Å; F74-L92 HydrophobicContact CG-CD1 4.35Å; F74-L92 HydrophobicContact CG-CD2 4.48Å; F74-Q310 HydrophobicContact CB-CG 3.98Å; F74-Q310 WeakPolarHBondContact O-CG 3.36Å; F74-Q310 PolarHBondContact O-NE2 2.99Å |
| 75 | Y | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -114.9 | 156.2 | 173.1 | -63.3 | -86.8 | 0 | 0 | 0 | 111.5 | E43 E71 H72 R73 D77 S78 L92 A307 Q310 W311 Q314 | E43-Y75 VanDerWaalsContact C-CE1 3.41Å; E43-Y75 VanDerWaalsContact CA-CE1 3.43Å; E43-Y75 HydrophobicContact CB-CE1 3.87Å; E43-Y75 WeakPolarHBondContact O-CD1 3.3Å; E43-Y75 WeakPolarHBondContact O-CE1 3.28Å; E71-Y75 VanDerWaalsContact CD-O 3.31Å; H72-Y75 HydrophobicContact CB-CD2 3.78Å; H72-Y75 HydrophobicContact CB-CG 4.48Å; H72-Y75 AromaticContact CG-CD2 3.76Å; H72-Y75 AromaticContact ND1-CD2 3.42Å; H72-Y75 WeakPolarHBondContact ND1-CD2 3.38Å; H72-Y75 AromaticContact ND1-CE2 3.6Å; H72-Y75 PolarHBondContact O-N 2.85Å; H72-Y75 VanDerWaalsContact O-N 3.15Å; R73-Y75 VanDerWaalsContact O-CD2 3.27Å; R73-Y75 WeakPolarHBondContact O-CD2 2.86Å; R73-Y75 PolarHBondContact O-N 3.28Å; Y75-D77 PolarHBondContact O-N 2.77Å; Y75-S78 WeakPolarHBondContact O-CB 3.16Å; Y75-S78 PolarHBondContact O-N 2.9Å; Y75-L92 HydrophobicContact CE2-CD1 4.09Å; Y75-A307 HydrophobicContact CD1-CB 4.24Å; Y75-A307 HydrophobicContact CE1-CB 4.37Å; Y75-Q310 HydrophobicContact CD1-CB 4.33Å; Y75-Q310 HydrophobicContact CE1-CB 3.53Å; Y75-Q310 HydrophobicContact CE1-CG 4.33Å; Y75-Q310 HydrophobicContact CE2-CB 4.29Å; Y75-Q310 WeakPolarHBondContact OH-CB 3.43Å; Y75-W311 WeakPolarHBondContact OH-CA 3.4Å; Y75-W311 PolarHBondContact OH-N 3.07Å; Y75-Q314 PolarHBondContact OH-OE1 2.91Å |
| 76 | G | 94.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -121.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I79 R306 | G76-I79 WeakPolarHBondContact O-CD1 3.1Å; G76-R306 PolarHBondContact O-NH1 2.64Å; G76-R306 PolarHBondContact O-NH2 3.44Å |
| 77 | D | 93.8 | Very high | 94.7 | Very high | 78 Ų | 78 | 30.6 Ų | 30.6 | 42% | 0.417 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 7.2 | -179.8 | -63.5 | -22.7 | 0 | 0 | 0 | 112.4 | R21 E71 Y75 I79 | R21-D77 IonicContact CZ-OD2 3.8Å; R21-D77 IonicContact NE-OD2 2.76Å; R21-D77 IonicContact NH1-OD2 2.68Å; R21-D77 PolarHBondContact NH1-OD2 3.44Å; E71-D77 PolarHBondContact OE2-N 3.16Å; Y75-D77 PolarHBondContact O-N 2.77Å; D77-I79 VanDerWaalsContact C-N 3.27Å; D77-I79 PolarHBondContact O-N 3.33Å |
| 78 | S | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | trans | -95.1 | 49.6 | -179.2 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | R21 E71 F74 Y75 | R21-S78 PolarHBondContact N-OG 3.4Å; E71-S78 VanDerWaalsContact CB-OG 3.32Å; E71-S78 WeakPolarHBondContact CB-OG 3.38Å; E71-S78 WeakPolarHBondContact CG-OG 2.88Å; E71-S78 PolarHBondContact OE2-N 3.29Å; E71-S78 PolarHBondContact OE2-OG 2.84Å; F74-S78 PolarHBondContact N-O 3.01Å; Y75-S78 WeakPolarHBondContact O-CB 3.16Å; Y75-S78 PolarHBondContact O-N 2.9Å | ||
| 79 | I | 92.6 | Very high | 94.3 | Very high | 27 Ų | 27 | 31.9 Ų | 31.9 | 14% | 0.138 | 17% | 0.17 | C | C | . | . | trans | -130.9 | 135.2 | -174.4 | -42.7 | -175.4 | 0 | 0 | 0 | 108.6 | F74 G76 D77 L84 | F74-I79 VanDerWaalsContact O-CD1 3.29Å; F74-I79 WeakPolarHBondContact O-CD1 3.03Å; G76-I79 WeakPolarHBondContact O-CD1 3.1Å; D77-I79 VanDerWaalsContact C-N 3.27Å; D77-I79 PolarHBondContact O-N 3.33Å; I79-L84 HydrophobicContact CD1-CD2 4.46Å; I79-L84 HydrophobicContact CG2-CD2 3.88Å; I79-L84 HydrophobicContact CG2-CG 4.45Å | ||
| 80 | N | 91.7 | Very high | 94.1 | Very high | 31 Ų | 31 | 35 Ų | 35 | 17% | 0.166 | 20% | 0.195 | C | C | . | . | trans | -71.9 | 154.1 | 174.2 | -86.8 | -17 | 0 | 0 | 0 | 112.1 | T17 F18 D82 G83 | T17-N80 PolarHBondContact O-ND2 3.33Å; F18-N80 VanDerWaalsContact CA-OD1 3.28Å; F18-N80 WeakPolarHBondContact CA-OD1 3.41Å; F18-N80 WeakPolarHBondContact CB-OD1 3.49Å; N80-D82 WeakPolarHBondContact CB-OD1 3.02Å; N80-D82 PolarHBondContact O-N 3.15Å; N80-G83 PolarHBondContact O-N 2.74Å; N80-G83 VanDerWaalsContact O-N 3.12Å | ||
| 81 | P | 88.3 | Confident | 94 | Very high | 114 Ų | 114 | 36 Ų | 36 | 74% | 0.74 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.1 | -179.9 | -24.3 | 35.1 | 0 | 0 | 0 | 115.1 | G83 | P81-G83 PolarHBondContact O-N 3.12Š|
| 82 | D | 86.9 | Confident | 94 | Very high | 77 Ų | 77 | 36 Ų | 36 | 41% | 0.412 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -7 | 175 | 56.6 | 0.4 | 0 | 0 | 0 | 113.3 | N80 N88 | N80-D82 WeakPolarHBondContact CB-OD1 3.02Å; N80-D82 PolarHBondContact O-N 3.15Å; D82-N88 PolarHBondContact O-ND2 3.25Å |
| 83 | G | 86.1 | Confident | 94 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | trans | 80.2 | -159.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N80 P81 N88 | N80-G83 PolarHBondContact O-N 2.74Å; N80-G83 VanDerWaalsContact O-N 3.12Å; P81-G83 PolarHBondContact O-N 3.12Å; G83-N88 PolarHBondContact O-ND2 2.67Å | ||
| 84 | L | 93.1 | Very high | 94 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -109.2 | 29.1 | -164.7 | -60.1 | 166 | 0 | 0 | 0 | 112.8 | F74 I79 L89 T299 R306 R309 Q310 | F74-L84 HydrophobicContact CD1-CD2 4.03Å; I79-L84 HydrophobicContact CD1-CD2 4.46Å; I79-L84 HydrophobicContact CG2-CD2 3.88Å; I79-L84 HydrophobicContact CG2-CG 4.45Å; L84-L89 HydrophobicContact CD2-CD2 4.07Å; L84-T299 PolarHBondContact N-O 3.27Å; L84-R306 HydrophobicContact CD1-CB 3.77Å; L84-R309 PolarHBondContact O-NE 3.03Å; L84-R309 PolarHBondContact O-NH2 3.21Å; L84-Q310 VanDerWaalsContact CD1-OE1 3.26Å; L84-Q310 HydrophobicContact CD2-CG 4.08Å | ||
| 85 | K | 93.8 | Very high | 94.1 | Very high | 103 Ų | 103 | 37.2 Ų | 37.2 | 45% | 0.448 | 21% | 0.209 | S | C | . | . | trans | -56.4 | 145.9 | 170.9 | -65.3 | -176.9 | -178.6 | 179.3 | 0 | 109.7 | E87 N88 L89 T299 | K85-E87 HydrophobicContact CB-CG 3.94Å; K85-E87 WeakPolarHBondContact CD-OE1 3.27Å; K85-E87 IonicContact NZ-OE1 3.88Å; K85-E87 PolarHBondContact O-N 3.23Å; K85-E87 VanDerWaalsContact O-N 3.13Å; K85-N88 WeakPolarHBondContact O-CB 3.47Å; K85-N88 PolarHBondContact O-N 3.24Å; K85-L89 PolarHBondContact O-N 3.35Å; K85-T299 HydrophobicContact CG-CG2 4.39Å | ||
| 86 | T | 94.6 | Very high | 94.2 | Very high | 46 Ų | 46 | 37.5 Ų | 37.5 | 28% | 0.282 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -35.9 | -177.3 | -52.8 | 0 | 0 | 0 | 0 | 112.5 | N88 L89 R309 Y313 F349 | T86-N88 VanDerWaalsContact C-N 3.32Å; T86-N88 PolarHBondContact O-N 3.19Å; T86-L89 PolarHBondContact O-N 3.12Å; T86-R309 PolarHBondContact OG1-NH2 2.9Å; T86-Y313 HydrophobicContact CG2-CE2 4.3Å; T86-F349 HydrophobicContact CG2-CB 3.99Å; T86-F349 HydrophobicContact CG2-CD1 4.06Å |
| 87 | E | 94.5 | Very high | 94.5 | Very high | 136 Ų | 136 | 37.6 Ų | 37.6 | 64% | 0.636 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -34.5 | 174.8 | 64.4 | -159.4 | -169 | 0 | 0 | 113.7 | K85 A90 | K85-E87 HydrophobicContact CB-CG 3.94Å; K85-E87 WeakPolarHBondContact CD-OE1 3.27Å; K85-E87 IonicContact NZ-OE1 3.88Å; K85-E87 PolarHBondContact O-N 3.23Å; K85-E87 VanDerWaalsContact O-N 3.13Å; E87-A90 WeakPolarHBondContact O-CB 3.32Å |
| 88 | N | 94.4 | Very high | 94.7 | Very high | 27 Ų | 27 | 34 Ų | 34 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -76.9 | -30.1 | 176.8 | -61.1 | -12.3 | 0 | 0 | 0 | 111.5 | F74 D82 G83 K85 T86 A90 D91 | F74-N88 HydrophobicContact CE1-CB 4.43Å; F74-N88 WeakPolarHBondContact CE1-O 3.15Å; F74-N88 WeakPolarHBondContact CZ-O 3.46Å; D82-N88 PolarHBondContact O-ND2 3.25Å; G83-N88 PolarHBondContact O-ND2 2.67Å; K85-N88 WeakPolarHBondContact O-CB 3.47Å; K85-N88 PolarHBondContact O-N 3.24Å; T86-N88 VanDerWaalsContact C-N 3.32Å; T86-N88 PolarHBondContact O-N 3.19Å; N88-A90 PolarHBondContact O-N 3.19Å; N88-A90 VanDerWaalsContact O-N 3.16Å; N88-D91 PolarHBondContact O-N 3.05Å |
| 89 | L | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -67.9 | -8.3 | 176.6 | -61.1 | 179.3 | 0 | 0 | 0 | 112.6 | F74 L84 K85 T86 D91 L92 Q310 Y313 F349 | F74-L89 HydrophobicContact CD1-CD2 3.86Å; F74-L89 HydrophobicContact CE1-CD2 4.24Å; L84-L89 HydrophobicContact CD2-CD2 4.07Å; K85-L89 PolarHBondContact O-N 3.35Å; T86-L89 PolarHBondContact O-N 3.12Å; L89-D91 PolarHBondContact O-N 3.09Å; L89-D91 VanDerWaalsContact O-N 3.14Å; L89-L92 HydrophobicContact CD2-CB 4.48Å; L89-L92 HydrophobicContact CD2-CD2 4.06Å; L89-L92 VanDerWaalsContact O-CB 3.31Å; L89-L92 WeakPolarHBondContact O-CB 3.35Å; L89-L92 PolarHBondContact O-N 2.65Å; L89-Q310 HydrophobicContact CD2-CG 4.19Å; L89-Y313 HydrophobicContact CB-CD1 3.89Å; L89-Y313 HydrophobicContact CB-CD2 3.93Å; L89-Y313 HydrophobicContact CB-CE1 3.79Å; L89-Y313 HydrophobicContact CB-CE2 3.82Å; L89-Y313 HydrophobicContact CB-CG 3.94Å; L89-Y313 HydrophobicContact CD1-CD1 4.48Å; L89-Y313 HydrophobicContact CD1-CD2 3.83Å; L89-Y313 HydrophobicContact CD1-CE2 4.48Å; L89-Y313 HydrophobicContact CD1-CG 3.81Å; L89-Y313 HydrophobicContact CG-CG 4.46Å; L89-Y313 WeakPolarHBondContact O-CE1 3.48Å; L89-Y313 VanDerWaalsContact O-CZ 3.3Å; L89-Y313 PolarHBondContact O-OH 3.38Å; L89-F349 HydrophobicContact CD1-CD1 4.37Å; L89-F349 HydrophobicContact CD1-CE1 3.88Å |
| 90 | A | 94.5 | Very high | 95.1 | Very high | 64 Ų | 64 | 33.2 Ų | 33.2 | 53% | 0.529 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -55.4 | -29.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E87 N88 | E87-A90 WeakPolarHBondContact O-CB 3.32Å; N88-A90 PolarHBondContact O-N 3.19Å; N88-A90 VanDerWaalsContact O-N 3.16Å |
| 91 | D | 96.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 32 Ų | 32 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -88.7 | -0.9 | 176.7 | -61.5 | -50.6 | 0 | 0 | 0 | 113.2 | L7 R73 F74 N88 L89 S93 | L7-D91 HydrophobicContact CD1-CB 4.14Å; L7-D91 HydrophobicContact CG-CB 4.32Å; L7-D91 WeakPolarHBondContact CG-OD2 3.31Å; R73-D91 WeakPolarHBondContact CD-O 3.27Å; R73-D91 PolarHBondContact NH1-O 2.55Å; F74-D91 HydrophobicContact CE2-CB 3.9Å; F74-D91 HydrophobicContact CZ-CB 3.92Å; N88-D91 PolarHBondContact O-N 3.05Å; L89-D91 PolarHBondContact O-N 3.09Å; L89-D91 VanDerWaalsContact O-N 3.14Å; D91-S93 PolarHBondContact O-N 3.27Å |
| 92 | L | 98.1 | Very high | 96 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | trans | -87.6 | 98.9 | 172.1 | 176.5 | 54.3 | 0 | 0 | 0 | 109.5 | R73 F74 Y75 L89 Q310 Y313 Q314 | R73-L92 HydrophobicContact CG-CD1 4.44Å; F74-L92 HydrophobicContact CB-CD1 4.06Å; F74-L92 HydrophobicContact CB-CD2 4.15Å; F74-L92 HydrophobicContact CB-CG 4.46Å; F74-L92 HydrophobicContact CD2-CB 3.72Å; F74-L92 HydrophobicContact CD2-CD1 4.08Å; F74-L92 HydrophobicContact CD2-CG 4.4Å; F74-L92 HydrophobicContact CE2-CB 4.08Å; F74-L92 HydrophobicContact CG-CB 4.04Å; F74-L92 HydrophobicContact CG-CD1 4.35Å; F74-L92 HydrophobicContact CG-CD2 4.48Å; Y75-L92 HydrophobicContact CE2-CD1 4.09Å; L89-L92 HydrophobicContact CD2-CB 4.48Å; L89-L92 HydrophobicContact CD2-CD2 4.06Å; L89-L92 VanDerWaalsContact O-CB 3.31Å; L89-L92 WeakPolarHBondContact O-CB 3.35Å; L89-L92 PolarHBondContact O-N 2.65Å; L92-Q310 HydrophobicContact CD2-CB 3.64Å; L92-Q310 HydrophobicContact CD2-CG 3.78Å; L92-Y313 HydrophobicContact CB-CD1 4.39Å; L92-Y313 HydrophobicContact CB-CE1 4.42Å; L92-Y313 HydrophobicContact CD2-CD1 4.2Å; L92-Y313 HydrophobicContact CG-CD1 4.4Å; L92-Q314 HydrophobicContact CD1-CG 4.26Å; L92-Q314 HydrophobicContact CD2-CG 3.98Å; L92-Q314 HydrophobicContact CG-CG 3.84Å | ||
| 93 | S | 98.5 | Very high | 96.5 | Very high | 19 Ų | 19 | 25.8 Ų | 25.8 | 13% | 0.133 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -150.1 | 158.1 | 170.5 | 61.8 | 0 | 0 | 0 | 0 | 111.5 | D91 Q95 Q96 A97 E318 | D91-S93 PolarHBondContact O-N 3.27Å; S93-Q95 VanDerWaalsContact C-N 3.27Å; S93-Q95 PolarHBondContact O-N 3.49Å; S93-Q95 PolarHBondContact OG-OE1 2.95Å; S93-Q96 PolarHBondContact O-N 3.3Å; S93-Q96 WeakPolarHBondContact OG-CB 3.48Å; S93-Q96 WeakPolarHBondContact OG-CG 3.48Å; S93-Q96 PolarHBondContact OG-N 3.39Å; S93-A97 PolarHBondContact O-N 2.97Å; S93-E318 VanDerWaalsContact CA-OE2 3.3Å; S93-E318 WeakPolarHBondContact CA-OE2 3.43Å |
| 94 | S | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.8 | -37.8 | 173.6 | 61.6 | 0 | 0 | 0 | 0 | 112.2 | Q96 A97 L98 E318 Y367 | S94-Q96 PolarHBondContact O-N 3.3Å; S94-A97 PolarHBondContact O-N 3.5Å; S94-L98 VanDerWaalsContact O-CG 3.29Å; S94-L98 WeakPolarHBondContact O-CG 3.01Å; S94-L98 PolarHBondContact O-N 3.49Å; S94-E318 WeakPolarHBondContact CB-OE1 3.37Å; S94-E318 PolarHBondContact N-OE1 2.93Å; S94-E318 PolarHBondContact N-OE2 2.98Å; S94-E318 PolarHBondContact OG-OE1 2.79Å; S94-Y367 WeakPolarHBondContact CB-OH 3.46Å; S94-Y367 WeakPolarHBondContact OG-CE2 3.49Å; S94-Y367 PolarHBondContact OG-OH 3Å |
| 95 | Q | 98.6 | Very high | 97.4 | Very high | 25 Ų | 25 | 26.8 Ų | 26.8 | 12% | 0.117 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.6 | -43.5 | 179.6 | -60.6 | 82.2 | -2.3 | 0 | 0 | 111.3 | F10 S93 L98 A99 E318 Y366 Y367 | F10-Q95 HydrophobicContact CE2-CB 3.72Å; F10-Q95 HydrophobicContact CZ-CB 3.83Å; S93-Q95 VanDerWaalsContact C-N 3.27Å; S93-Q95 PolarHBondContact O-N 3.49Å; S93-Q95 PolarHBondContact OG-OE1 2.95Å; Q95-L98 PolarHBondContact O-N 3.06Å; Q95-A99 PolarHBondContact O-N 3.25Å; Q95-A99 VanDerWaalsContact O-N 3.13Å; Q95-E318 PolarHBondContact OE1-OE1 3.39Å; Q95-E318 VanDerWaalsContact OE1-OE1 3.09Å; Q95-Y366 HydrophobicContact CG-CD1 4.17Å; Q95-Y366 HydrophobicContact CG-CE1 3.67Å; Q95-Y367 PolarHBondContact N-OH 3.47Å |
| 96 | Q | 98.7 | Very high | 97.6 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.6 | -39.4 | 177.6 | -69.2 | -78.5 | 19.7 | 0 | 0 | 111.5 | D8 H9 F10 R73 S93 S94 A99 D100 | D8-Q96 PolarHBondContact OD1-NE2 2.74Å; H9-Q96 PolarHBondContact CD2-OE1 2.92Å; H9-Q96 VanDerWaalsContact CD2-OE1 3.25Å; F10-Q96 VanDerWaalsContact CD2-CD 3.5Å; F10-Q96 HydrophobicContact CD2-CG 4.07Å; F10-Q96 HydrophobicContact CE2-CB 4.39Å; F10-Q96 HydrophobicContact CE2-CG 3.85Å; R73-Q96 VanDerWaalsContact NH1-CB 3.31Å; S93-Q96 PolarHBondContact O-N 3.3Å; S93-Q96 WeakPolarHBondContact OG-CB 3.48Å; S93-Q96 WeakPolarHBondContact OG-CG 3.48Å; S93-Q96 PolarHBondContact OG-N 3.39Å; S94-Q96 PolarHBondContact O-N 3.3Å; Q96-A99 PolarHBondContact O-N 3.23Å; Q96-D100 PolarHBondContact O-N 3.33Å |
| 97 | A | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 29 Ų | 29 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H72 R73 S93 S94 A99 D100 L101 L131 | H72-A97 WeakPolarHBondContact NE2-CB 3.01Å; R73-A97 HydrophobicContact CG-CB 4.35Å; S93-A97 PolarHBondContact O-N 2.97Å; S94-A97 PolarHBondContact O-N 3.5Å; A97-A99 VanDerWaalsContact C-N 3.3Å; A97-A99 PolarHBondContact O-N 2.81Å; A97-D100 WeakPolarHBondContact O-CB 3.4Å; A97-D100 PolarHBondContact O-N 3.42Å; A97-L101 WeakPolarHBondContact O-CG 3.45Å; A97-L101 PolarHBondContact O-N 2.99Å; A97-L101 VanDerWaalsContact O-N 3.16Å; A97-L131 HydrophobicContact CB-CD2 4.35Å |
| 98 | L | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.7 | -34.5 | 174.5 | -66.6 | 176.8 | 0 | 0 | 0 | 112.4 | S94 Q95 L101 A102 L131 W134 F135 K138 F139 Y367 | S94-L98 VanDerWaalsContact O-CG 3.29Å; S94-L98 WeakPolarHBondContact O-CG 3.01Å; S94-L98 PolarHBondContact O-N 3.49Å; Q95-L98 PolarHBondContact O-N 3.06Å; L98-L101 HydrophobicContact CD2-CD1 4.05Å; L98-L101 WeakPolarHBondContact O-CB 3.47Å; L98-L101 PolarHBondContact O-N 3.21Å; L98-A102 PolarHBondContact O-N 2.82Å; L98-L131 HydrophobicContact CD2-CB 4.5Å; L98-L131 HydrophobicContact CD2-CD2 3.97Å; L98-L131 WeakPolarHBondContact CD2-O 3.45Å; L98-L131 HydrophobicContact CG-CD2 4.24Å; L98-W134 HydrophobicContact CD1-CB 3.72Å; L98-W134 HydrophobicContact CD2-CB 4.16Å; L98-F135 HydrophobicContact CD2-CB 3.82Å; L98-K138 HydrophobicContact CD1-CG 4.45Å; L98-F139 HydrophobicContact CB-CE2 3.98Å; L98-Y367 HydrophobicContact CD1-CE1 3.64Å |
| 99 | A | 98.8 | Very high | 98.2 | Very high | 10 Ų | 10 | 22.3 Ų | 22.3 | 8% | 0.083 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.2 | -35.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H9 F10 Q95 Q96 A97 L101 A102 V103 | H9-A99 HydrophobicContact CB-CB 3.66Å; H9-A99 VanDerWaalsContact CD2-CB 3.47Å; H9-A99 WeakPolarHBondContact CD2-CB 3.44Å; H9-A99 VanDerWaalsContact CG-CB 3.41Å; F10-A99 HydrophobicContact CZ-CB 4.3Å; Q95-A99 PolarHBondContact O-N 3.25Å; Q95-A99 VanDerWaalsContact O-N 3.13Å; Q96-A99 PolarHBondContact O-N 3.23Å; A97-A99 VanDerWaalsContact C-N 3.3Å; A97-A99 PolarHBondContact O-N 2.81Å; A99-L101 VanDerWaalsContact C-N 3.28Å; A99-L101 PolarHBondContact O-N 2.88Å; A99-A102 WeakPolarHBondContact O-CB 3.48Å; A99-A102 PolarHBondContact O-N 3.26Å; A99-V103 PolarHBondContact O-N 3.42Å; A99-V103 VanDerWaalsContact O-N 3.16Å |
| 100 | D | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58 | -41.9 | 170.5 | -65.8 | -35.6 | 0 | 0 | 0 | 111.6 | Q5 H9 R73 Q96 A97 A102 V103 F104 | Q5-D100 PolarHBondContact NE2-O 3Å; H9-D100 IonicContact CD2-OD1 3.68Å; H9-D100 IonicContact CE1-OD1 3.68Å; H9-D100 PolarHBondContact NE2-N 2.92Å; H9-D100 IonicContact NE2-OD1 2.73Å; H9-D100 PolarHBondContact NE2-OD1 3.47Å; R73-D100 IonicContact CZ-OD1 3.32Å; R73-D100 IonicContact CZ-OD2 3.64Å; R73-D100 IonicContact NE-OD1 2.69Å; R73-D100 IonicContact NE-OD2 2.75Å; R73-D100 PolarHBondContact NE-OD2 3.49Å; R73-D100 VanDerWaalsContact NH2-CG 3.25Å; R73-D100 IonicContact NH2-OD1 3.14Å; R73-D100 PolarHBondContact NH2-OD1 3.48Å; R73-D100 IonicContact NH2-OD2 3.76Å; R73-D100 PolarHBondContact NH2-OD2 2.99Å; R73-D100 VanDerWaalsContact NH2-OD2 3.14Å; Q96-D100 PolarHBondContact O-N 3.33Å; A97-D100 WeakPolarHBondContact O-CB 3.4Å; A97-D100 PolarHBondContact O-N 3.42Å; D100-A102 VanDerWaalsContact C-N 3.29Å; D100-A102 PolarHBondContact O-N 2.84Å; D100-V103 PolarHBondContact O-N 3.4Å; D100-F104 VanDerWaalsContact O-CB 3.27Å; D100-F104 WeakPolarHBondContact O-CB 3.07Å; D100-F104 PolarHBondContact O-N 3.46Å |
| 101 | L | 98.9 | Very high | 98.4 | Very high | 6 Ų | 6 | 28 Ų | 28 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.4 | -37.5 | 178.2 | -63.3 | 177.7 | 0 | 0 | 0 | 112 | I40 V70 A97 L98 A99 F104 H105 F135 | I40-L101 HydrophobicContact CD1-CD1 3.65Å; I40-L101 HydrophobicContact CG1-CD1 4.07Å; I40-L101 HydrophobicContact CG1-CD2 4.06Å; I40-L101 HydrophobicContact CG2-CD1 4.18Å; I40-L101 HydrophobicContact CG2-CD2 4.25Å; V70-L101 HydrophobicContact CG1-CD2 3.45Å; V70-L101 VanDerWaalsContact CG1-CD2 3.45Å; A97-L101 WeakPolarHBondContact O-CG 3.45Å; A97-L101 PolarHBondContact O-N 2.99Å; A97-L101 VanDerWaalsContact O-N 3.16Å; L98-L101 HydrophobicContact CD2-CD1 4.05Å; L98-L101 WeakPolarHBondContact O-CB 3.47Å; L98-L101 PolarHBondContact O-N 3.21Å; A99-L101 VanDerWaalsContact C-N 3.28Å; A99-L101 PolarHBondContact O-N 2.88Å; L101-F104 PolarHBondContact O-N 2.64Å; L101-H105 VanDerWaalsContact O-CB 3.31Å; L101-H105 WeakPolarHBondContact O-CB 3.49Å; L101-H105 PolarHBondContact O-N 3.36Å; L101-F135 HydrophobicContact CB-CD1 4.48Å; L101-F135 HydrophobicContact CB-CD2 3.76Å; L101-F135 HydrophobicContact CB-CE1 4.28Å; L101-F135 HydrophobicContact CB-CE2 3.54Å; L101-F135 HydrophobicContact CB-CG 4.26Å; L101-F135 HydrophobicContact CB-CZ 3.83Å; L101-F135 HydrophobicContact CD1-CB 3.89Å; L101-F135 HydrophobicContact CD1-CD1 4.13Å; L101-F135 HydrophobicContact CD1-CD2 3.88Å; L101-F135 HydrophobicContact CD1-CE2 4.48Å; L101-F135 HydrophobicContact CD1-CG 3.71Å; L101-F135 HydrophobicContact CG-CD2 4.5Å |
| 102 | A | 98.7 | Very high | 98.4 | Very high | 20 Ų | 20 | 28.4 Ų | 28.4 | 17% | 0.165 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L98 A99 D100 H105 Q106 F139 L142 | L98-A102 PolarHBondContact O-N 2.82Å; A99-A102 WeakPolarHBondContact O-CB 3.48Å; A99-A102 PolarHBondContact O-N 3.26Å; D100-A102 VanDerWaalsContact C-N 3.29Å; D100-A102 PolarHBondContact O-N 2.84Å; A102-H105 PolarHBondContact O-N 2.92Å; A102-Q106 PolarHBondContact O-N 3.47Å; A102-Q106 VanDerWaalsContact O-N 3.16Å; A102-F139 HydrophobicContact CB-CD1 4.12Å; A102-F139 HydrophobicContact CB-CE1 3.98Å; A102-F139 HydrophobicContact CB-CZ 4.43Å; A102-L142 HydrophobicContact CB-CD1 3.62Å |
| 103 | V | 98.6 | Very high | 98.4 | Very high | 41 Ų | 41 | 35 Ų | 35 | 25% | 0.248 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.4 | -40.5 | 174.9 | 174 | 0 | 0 | 0 | 0 | 111.1 | A99 D100 Q106 Y107 | A99-V103 PolarHBondContact O-N 3.42Å; A99-V103 VanDerWaalsContact O-N 3.16Å; D100-V103 PolarHBondContact O-N 3.4Å; V103-Q106 PolarHBondContact O-N 3.49Å; V103-Y107 PolarHBondContact O-N 2.88Å |
| 104 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 176.9 | 178.9 | -111.9 | 0 | 0 | 0 | 111.8 | V3 F22 L38 L68 V70 D100 L101 Q106 Y107 I108 | V3-F104 HydrophobicContact CG1-CD2 3.98Å; F22-F104 HydrophobicContact CB-CE2 3.68Å; F22-F104 HydrophobicContact CB-CZ 3.76Å; F22-F104 HydrophobicContact CD1-CD2 4.45Å; F22-F104 AromaticContact CD1-CE2 3.63Å; F22-F104 HydrophobicContact CD1-CE2 3.63Å; F22-F104 HydrophobicContact CD1-CZ 4.45Å; F22-F104 AromaticContact CD2-CE2 3.86Å; F22-F104 HydrophobicContact CD2-CE2 3.86Å; F22-F104 AromaticContact CD2-CZ 3.95Å; F22-F104 HydrophobicContact CD2-CZ 3.95Å; F22-F104 HydrophobicContact CE1-CE2 4.15Å; F22-F104 HydrophobicContact CE2-CE2 4.37Å; F22-F104 AromaticContact CG-CE2 3.46Å; F22-F104 HydrophobicContact CG-CE2 3.46Å; F22-F104 VanDerWaalsContact CG-CE2 3.46Å; F22-F104 AromaticContact CG-CZ 3.83Å; F22-F104 HydrophobicContact CG-CZ 3.83Å; L38-F104 HydrophobicContact CD1-CD1 4.21Å; L38-F104 HydrophobicContact CD1-CE1 3.7Å; L68-F104 HydrophobicContact CB-CE1 4.45Å; L68-F104 HydrophobicContact CD1-CE1 4.35Å; V70-F104 HydrophobicContact CB-CD1 3.9Å; V70-F104 HydrophobicContact CB-CE1 3.73Å; V70-F104 HydrophobicContact CB-CG 4.37Å; V70-F104 HydrophobicContact CB-CZ 4.06Å; V70-F104 HydrophobicContact CG1-CD1 4.12Å; V70-F104 HydrophobicContact CG1-CE1 4.21Å; V70-F104 HydrophobicContact CG2-CD1 3.95Å; V70-F104 HydrophobicContact CG2-CD2 4.1Å; V70-F104 HydrophobicContact CG2-CE1 4.14Å; V70-F104 HydrophobicContact CG2-CE2 4.28Å; V70-F104 HydrophobicContact CG2-CG 3.91Å; V70-F104 HydrophobicContact CG2-CZ 4.29Å; D100-F104 VanDerWaalsContact O-CB 3.27Å; D100-F104 WeakPolarHBondContact O-CB 3.07Å; D100-F104 PolarHBondContact O-N 3.46Å; L101-F104 PolarHBondContact O-N 2.64Å; F104-Q106 VanDerWaalsContact C-N 3.31Å; F104-Q106 PolarHBondContact O-N 2.73Å; F104-Y107 PolarHBondContact O-N 2.8Å; F104-I108 HydrophobicContact CD1-CG1 4.33Å; F104-I108 HydrophobicContact CD2-CG1 4.03Å; F104-I108 HydrophobicContact CE1-CG1 3.86Å; F104-I108 HydrophobicContact CE2-CD1 3.73Å; F104-I108 HydrophobicContact CE2-CG1 3.52Å; F104-I108 HydrophobicContact CG-CG1 4.42Å; F104-I108 HydrophobicContact CZ-CD1 3.74Å; F104-I108 HydrophobicContact CZ-CG1 3.44Å; F104-I108 VanDerWaalsContact CZ-CG1 3.44Å; F104-I108 WeakPolarHBondContact O-CG1 3.37Å; F104-I108 PolarHBondContact O-N 2.86Å |
| 105 | H | 98.8 | Very high | 98.1 | Very high | 26 Ų | 26 | 37 Ų | 37 | 12% | 0.12 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.1 | -47 | 173.6 | 170.2 | -77.6 | 0 | 0 | 0 | 111.2 | L101 A102 S109 W120 L142 | L101-H105 VanDerWaalsContact O-CB 3.31Å; L101-H105 WeakPolarHBondContact O-CB 3.49Å; L101-H105 PolarHBondContact O-N 3.36Å; A102-H105 PolarHBondContact O-N 2.92Å; H105-S109 PolarHBondContact CE1-OG 3.43Å; H105-S109 VanDerWaalsContact O-CB 3.28Å; H105-S109 WeakPolarHBondContact O-CB 3.23Å; H105-S109 PolarHBondContact O-N 3.25Å; H105-S109 PolarHBondContact O-OG 3.19Å; H105-W120 AromaticContact CD2-CD2 3.49Å; H105-W120 VanDerWaalsContact CD2-CD2 3.49Å; H105-W120 AromaticContact CD2-CE2 3.35Å; H105-W120 AromaticContact CD2-CE3 3.82Å; H105-W120 AromaticContact CD2-CG 3.99Å; H105-W120 AromaticContact CD2-CH2 3.89Å; H105-W120 AromaticContact CD2-CZ2 3.56Å; H105-W120 AromaticContact CD2-NE1 3.77Å; H105-W120 AromaticContact NE2-CD1 3.64Å; H105-W120 AromaticContact NE2-CD2 3.82Å; H105-W120 AromaticContact NE2-CE2 3.41Å; H105-W120 AromaticContact NE2-CG 3.95Å; H105-W120 AromaticContact NE2-CZ2 3.86Å; H105-W120 AromaticContact NE2-NE1 3.3Å; H105-W120 PolarHBondContact NE2-NE1 2.82Å; H105-L142 PolarHBondContact CD2-O 3.43Å; H105-L142 PolarHBondContact NE2-O 3.35Å |
| 106 | Q | 98.4 | Very high | 97.7 | Very high | 111 Ų | 111 | 40.3 Ų | 40.3 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 177.2 | -178.5 | 178.9 | -4 | 0 | 0 | 111.8 | A102 V103 F104 I108 S109 Q110 | A102-Q106 PolarHBondContact O-N 3.47Å; A102-Q106 VanDerWaalsContact O-N 3.16Å; V103-Q106 PolarHBondContact O-N 3.49Å; F104-Q106 VanDerWaalsContact C-N 3.31Å; F104-Q106 PolarHBondContact O-N 2.73Å; Q106-I108 PolarHBondContact O-N 3.43Å; Q106-S109 PolarHBondContact O-N 3.16Å; Q106-Q110 WeakPolarHBondContact O-CG 3.4Å; Q106-Q110 PolarHBondContact O-N 2.81Å |
| 107 | Y | 98.6 | Very high | 97.3 | Very high | 85 Ų | 85 | 46.4 Ų | 46.4 | 33% | 0.333 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.5 | -46.8 | 179.1 | 172.3 | -96.4 | 0 | 0 | 0 | 112.1 | V3 F22 V103 F104 Q110 S111 | V3-Y107 HydrophobicContact CB-CD1 4.1Å; V3-Y107 HydrophobicContact CB-CE1 4.29Å; V3-Y107 HydrophobicContact CB-CG 4.29Å; V3-Y107 HydrophobicContact CG2-CD1 3.87Å; V3-Y107 HydrophobicContact CG2-CD2 3.82Å; V3-Y107 HydrophobicContact CG2-CE1 4.39Å; V3-Y107 HydrophobicContact CG2-CE2 4.34Å; V3-Y107 HydrophobicContact CG2-CG 3.55Å; F22-Y107 AromaticContact CE1-CE1 3.86Å; F22-Y107 HydrophobicContact CE1-CE1 3.86Å; F22-Y107 AromaticContact CZ-CE1 3.72Å; F22-Y107 HydrophobicContact CZ-CE1 3.72Å; V103-Y107 PolarHBondContact O-N 2.88Å; F104-Y107 PolarHBondContact O-N 2.8Å; Y107-Q110 PolarHBondContact O-N 2.84Å; Y107-S111 VanDerWaalsContact O-CB 3.3Å; Y107-S111 WeakPolarHBondContact O-CB 3.5Å; Y107-S111 PolarHBondContact O-N 3.41Å; Y107-S111 PolarHBondContact O-OG 2.78Å |
| 108 | I | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.5 | -41.4 | 178 | -68 | -63.9 | 0 | 0 | 0 | 111.2 | F22 L68 F104 Q106 Q110 S111 F112 L114 W120 | F22-I108 HydrophobicContact CD2-CD1 4.36Å; F22-I108 HydrophobicContact CE2-CD1 3.9Å; F22-I108 HydrophobicContact CZ-CD1 4.27Å; L68-I108 HydrophobicContact CD1-CB 4.47Å; L68-I108 HydrophobicContact CD1-CG1 4.28Å; L68-I108 HydrophobicContact CD1-CG2 3.73Å; L68-I108 HydrophobicContact CD2-CD1 4.12Å; L68-I108 HydrophobicContact CD2-CG1 4.49Å; L68-I108 HydrophobicContact CD2-CG2 4.29Å; F104-I108 HydrophobicContact CD1-CG1 4.33Å; F104-I108 HydrophobicContact CD2-CG1 4.03Å; F104-I108 HydrophobicContact CE1-CG1 3.86Å; F104-I108 HydrophobicContact CE2-CD1 3.73Å; F104-I108 HydrophobicContact CE2-CG1 3.52Å; F104-I108 HydrophobicContact CG-CG1 4.42Å; F104-I108 HydrophobicContact CZ-CD1 3.74Å; F104-I108 HydrophobicContact CZ-CG1 3.44Å; F104-I108 VanDerWaalsContact CZ-CG1 3.44Å; F104-I108 WeakPolarHBondContact O-CG1 3.37Å; F104-I108 PolarHBondContact O-N 2.86Å; Q106-I108 PolarHBondContact O-N 3.43Å; I108-Q110 VanDerWaalsContact C-N 3.27Å; I108-Q110 PolarHBondContact O-N 3.37Å; I108-S111 PolarHBondContact O-N 2.83Å; I108-F112 HydrophobicContact CD1-CD2 4.32Å; I108-F112 HydrophobicContact CD1-CE2 4.01Å; I108-F112 HydrophobicContact CG2-CD2 3.87Å; I108-F112 HydrophobicContact CG2-CE2 4.46Å; I108-F112 WeakPolarHBondContact O-CB 3.43Å; I108-F112 WeakPolarHBondContact O-CD2 3.29Å; I108-F112 PolarHBondContact O-N 3.36Å; I108-L114 HydrophobicContact CG2-CD1 3.89Å; I108-W120 HydrophobicContact CB-CH2 3.94Å; I108-W120 HydrophobicContact CB-CZ2 4.48Å; I108-W120 HydrophobicContact CG2-CH2 3.67Å; I108-W120 HydrophobicContact CG2-CZ2 4.07Å |
| 109 | S | 98.3 | Very high | 97.2 | Very high | 21 Ų | 21 | 47 Ų | 47 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.1 | -42 | 177.8 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | H105 Q106 N113 L114 | H105-S109 PolarHBondContact CE1-OG 3.43Å; H105-S109 VanDerWaalsContact O-CB 3.28Å; H105-S109 WeakPolarHBondContact O-CB 3.23Å; H105-S109 PolarHBondContact O-N 3.25Å; H105-S109 PolarHBondContact O-OG 3.19Å; Q106-S109 PolarHBondContact O-N 3.16Å; S109-N113 CarbonylContact O-C 3.5Å; S109-N113 WeakPolarHBondContact O-CA 3.46Å; S109-N113 PolarHBondContact O-N 3.17Å; S109-N113 VanDerWaalsContact O-N 3.12Å; S109-L114 PolarHBondContact O-N 2.7Å |
| 110 | Q | 97.9 | Very high | 97.2 | Very high | 122 Ų | 122 | 47 Ų | 47 | 57% | 0.57 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -69.9 | -45.2 | 174.6 | -68.1 | 174.2 | -7.7 | 0 | 0 | 112.1 | Q106 Y107 I108 F112 N113 | Q106-Q110 WeakPolarHBondContact O-CG 3.4Å; Q106-Q110 PolarHBondContact O-N 2.81Å; Y107-Q110 PolarHBondContact O-N 2.84Å; I108-Q110 VanDerWaalsContact C-N 3.27Å; I108-Q110 PolarHBondContact O-N 3.37Å; Q110-F112 VanDerWaalsContact C-N 3.27Å; Q110-F112 PolarHBondContact O-N 3.42Å; Q110-N113 PolarHBondContact O-N 3.31Å; Q110-N113 PolarHBondContact O-OD1 2.87Å |
| 111 | S | 97.2 | Very high | 97.2 | Very high | 61 Ų | 61 | 47 Ų | 47 | 43% | 0.427 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.1 | -30.4 | -175.7 | -60 | 0 | 0 | 0 | 0 | 113.2 | Y107 I108 | Y107-S111 VanDerWaalsContact O-CB 3.3Å; Y107-S111 WeakPolarHBondContact O-CB 3.5Å; Y107-S111 PolarHBondContact O-N 3.41Å; Y107-S111 PolarHBondContact O-OG 2.78Å; I108-S111 PolarHBondContact O-N 2.83Å |
| 112 | F | 97.1 | Very high | 97.2 | Very high | 32 Ų | 32 | 46.7 Ų | 46.7 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 7.8 | -177.2 | -71.2 | -90.5 | 0 | 0 | 0 | 113.7 | V24 E26 W29 L66 I108 Q110 L114 | V24-F112 HydrophobicContact CG1-CE1 4.35Å; V24-F112 HydrophobicContact CG1-CZ 3.85Å; V24-F112 HydrophobicContact CG2-CZ 4.37Å; E26-F112 HydrophobicContact CG-CE1 4.18Å; W29-F112 HydrophobicContact CH2-CB 4.08Å; W29-F112 HydrophobicContact CH2-CD1 4.32Å; W29-F112 HydrophobicContact CZ3-CB 4.35Å; W29-F112 AromaticContact CZ3-CD1 3.74Å; W29-F112 HydrophobicContact CZ3-CD1 3.74Å; W29-F112 HydrophobicContact CZ3-CG 4.49Å; L66-F112 HydrophobicContact CD2-CD1 4.32Å; L66-F112 HydrophobicContact CD2-CG 4.23Å; I108-F112 HydrophobicContact CD1-CD2 4.32Å; I108-F112 HydrophobicContact CD1-CE2 4.01Å; I108-F112 HydrophobicContact CG2-CD2 3.87Å; I108-F112 HydrophobicContact CG2-CE2 4.46Å; I108-F112 WeakPolarHBondContact O-CB 3.43Å; I108-F112 WeakPolarHBondContact O-CD2 3.29Å; I108-F112 PolarHBondContact O-N 3.36Å; Q110-F112 VanDerWaalsContact C-N 3.27Å; Q110-F112 PolarHBondContact O-N 3.42Å; F112-L114 HydrophobicContact CB-CD1 4.33Å; F112-L114 HydrophobicContact CB-CD2 3.83Å; F112-L114 HydrophobicContact CB-CG 3.82Å; F112-L114 PolarHBondContact O-N 3.5Å |
| 113 | N | 96.8 | Very high | 97.2 | Very high | 140 Ų | 140 | 46 Ų | 46 | 75% | 0.749 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 41 | -175.5 | -65.9 | -28.6 | 0 | 0 | 0 | 113.1 | S109 Q110 | S109-N113 CarbonylContact O-C 3.5Å; S109-N113 WeakPolarHBondContact O-CA 3.46Å; S109-N113 PolarHBondContact O-N 3.17Å; S109-N113 VanDerWaalsContact O-N 3.12Å; Q110-N113 PolarHBondContact O-N 3.31Å; Q110-N113 PolarHBondContact O-OD1 2.87Å |
| 114 | L | 97.1 | Very high | 97.2 | Very high | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | trans | -75 | 148.3 | 177.2 | -48.3 | 177.9 | 0 | 0 | 0 | 109.9 | W29 V36 L66 I108 S109 F112 N118 W120 | W29-L114 HydrophobicContact CH2-CD2 3.63Å; W29-L114 HydrophobicContact CZ2-CD2 3.39Å; V36-L114 HydrophobicContact CG2-CD1 3.77Å; L66-L114 HydrophobicContact CD2-CD1 4.33Å; L66-L114 HydrophobicContact CD2-CD2 4.5Å; I108-L114 HydrophobicContact CG2-CD1 3.89Å; S109-L114 PolarHBondContact O-N 2.7Å; F112-L114 HydrophobicContact CB-CD1 4.33Å; F112-L114 HydrophobicContact CB-CD2 3.83Å; F112-L114 HydrophobicContact CB-CG 3.82Å; F112-L114 PolarHBondContact O-N 3.5Å; L114-N118 WeakPolarHBondContact CA-OD1 3.18Å; L114-N118 HydrophobicContact CB-CB 4.29Å; L114-N118 HydrophobicContact CD2-CB 4.47Å; L114-W120 HydrophobicContact CD1-CH2 4.43Å; L114-W120 HydrophobicContact CD1-CZ2 3.56Å | ||
| 115 | S | 93.4 | Very high | 97.2 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | trans | -132.2 | -176.2 | -179.9 | 67.1 | 0 | 0 | 0 | 0 | 110.5 | R117 N118 | S115-R117 PolarHBondContact O-N 2.87Å; S115-R117 PolarHBondContact OG-N 3.18Å; S115-N118 PolarHBondContact N-OD1 3.15Å; S115-N118 PolarHBondContact O-N 3.11Å; S115-N118 PolarHBondContact O-OD1 3.08Å | ||
| 116 | S | 90.4 | Very high | 97.2 | Very high | 94 Ų | 94 | 44.1 Ų | 44.1 | 66% | 0.657 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -15.6 | 171.5 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | K447 | S116-K447 WeakPolarHBondContact O-CD 3.39Å; S116-K447 WeakPolarHBondContact O-CE 3.31Å; S116-K447 PolarHBondContact O-NZ 2.64Å |
| 117 | R | 91.6 | Very high | 97.2 | Very high | 137 Ų | 137 | 39 Ų | 39 | 52% | 0.517 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -31.4 | 173.4 | -61.5 | -166.6 | -58 | -82.4 | -3.8 | 113.1 | D33 S115 T119 K447 | D33-R117 IonicContact OD1-CZ 3.67Å; D33-R117 IonicContact OD1-NE 3.83Å; D33-R117 PolarHBondContact OD1-NE 3.25Å; D33-R117 IonicContact OD1-NH2 2.71Å; D33-R117 PolarHBondContact OD1-NH2 2.98Å; S115-R117 PolarHBondContact O-N 2.87Å; S115-R117 PolarHBondContact OG-N 3.18Å; R117-T119 PolarHBondContact O-N 3.04Å; R117-K447 VanDerWaalsContact C-NZ 3.33Å; R117-K447 PolarHBondContact O-NZ 3.43Å |
| 118 | N | 97.1 | Very high | 97.2 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -82.3 | 111.3 | -179.2 | -54.6 | 92.1 | 0 | 0 | 0 | 110.4 | P32 G34 V36 L114 S115 | P32-N118 PolarHBondContact O-ND2 3.12Å; G34-N118 PolarHBondContact O-ND2 2.93Å; V36-N118 HydrophobicContact CG2-CB 4.21Å; L114-N118 WeakPolarHBondContact CA-OD1 3.18Å; L114-N118 HydrophobicContact CB-CB 4.29Å; L114-N118 HydrophobicContact CD2-CB 4.47Å; S115-N118 PolarHBondContact N-OD1 3.15Å; S115-N118 PolarHBondContact O-N 3.11Å; S115-N118 PolarHBondContact O-OD1 3.08Å |
| 119 | T | 98 | Very high | 97.2 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 7% | 0.074 | 19% | 0.193 | C | C | . | . | trans | -80.2 | 124.8 | 176.5 | -54 | 0 | 0 | 0 | 0 | 110.1 | P35 V36 R117 I121 Y144 L440 A443 K447 | P35-T119 CarbonylContact C-O 3.59Å; P35-T119 VanDerWaalsContact CA-O 3.29Å; P35-T119 WeakPolarHBondContact CA-O 3.47Å; P35-T119 WeakPolarHBondContact CB-O 3.36Å; V36-T119 PolarHBondContact N-O 2.87Å; R117-T119 PolarHBondContact O-N 3.04Å; T119-I121 HydrophobicContact CG2-CD1 4.31Å; T119-Y144 HydrophobicContact CG2-CD1 3.98Å; T119-Y144 HydrophobicContact CG2-CD2 4.24Å; T119-Y144 HydrophobicContact CG2-CG 3.65Å; T119-L440 HydrophobicContact CG2-CD2 3.82Å; T119-A443 HydrophobicContact CG2-CB 3.63Å; T119-A443 WeakPolarHBondContact OG1-CB 3.33Å; T119-K447 PolarHBondContact OG1-NZ 3.42Å | ||
| 120 | W | 98.8 | Very high | 97.2 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 131.5 | 177.1 | -73.7 | 75.3 | 0 | 0 | 0 | 111.7 | V36 L38 L68 H105 I108 L114 V143 Y144 | V36-W120 HydrophobicContact CB-CD2 3.6Å; V36-W120 HydrophobicContact CB-CE3 3.87Å; V36-W120 HydrophobicContact CB-CG 3.96Å; V36-W120 HydrophobicContact CB-CZ2 4.35Å; V36-W120 HydrophobicContact CB-CZ3 4.34Å; V36-W120 HydrophobicContact CG1-CD2 3.71Å; V36-W120 HydrophobicContact CG1-CE3 3.46Å; V36-W120 VanDerWaalsContact CG1-CE3 3.46Å; V36-W120 HydrophobicContact CG1-CH2 3.79Å; V36-W120 HydrophobicContact CG1-CZ2 4.02Å; V36-W120 HydrophobicContact CG1-CZ3 3.5Å; V36-W120 HydrophobicContact CG2-CD2 4.09Å; V36-W120 HydrophobicContact CG2-CG 4.42Å; V36-W120 HydrophobicContact CG2-CZ2 4.18Å; V36-W120 CarbonylContact O-C 3.47Å; V36-W120 WeakPolarHBondContact O-CA 3.28Å; L38-W120 HydrophobicContact CB-CE3 4.32Å; L38-W120 HydrophobicContact CB-CZ3 4.4Å; L38-W120 HydrophobicContact CD2-CZ3 4.33Å; L68-W120 HydrophobicContact CD1-CH2 3.64Å; L68-W120 HydrophobicContact CD1-CZ3 3.56Å; H105-W120 AromaticContact CD2-CD2 3.49Å; H105-W120 VanDerWaalsContact CD2-CD2 3.49Å; H105-W120 AromaticContact CD2-CE2 3.35Å; H105-W120 AromaticContact CD2-CE3 3.82Å; H105-W120 AromaticContact CD2-CG 3.99Å; H105-W120 AromaticContact CD2-CH2 3.89Å; H105-W120 AromaticContact CD2-CZ2 3.56Å; H105-W120 AromaticContact CD2-NE1 3.77Å; H105-W120 AromaticContact NE2-CD1 3.64Å; H105-W120 AromaticContact NE2-CD2 3.82Å; H105-W120 AromaticContact NE2-CE2 3.41Å; H105-W120 AromaticContact NE2-CG 3.95Å; H105-W120 AromaticContact NE2-CZ2 3.86Å; H105-W120 AromaticContact NE2-NE1 3.3Å; H105-W120 PolarHBondContact NE2-NE1 2.82Å; I108-W120 HydrophobicContact CB-CH2 3.94Å; I108-W120 HydrophobicContact CB-CZ2 4.48Å; I108-W120 HydrophobicContact CG2-CH2 3.67Å; I108-W120 HydrophobicContact CG2-CZ2 4.07Å; L114-W120 HydrophobicContact CD1-CH2 4.43Å; L114-W120 HydrophobicContact CD1-CZ2 3.56Å; W120-V143 HydrophobicContact CB-CG2 4.28Å; W120-Y144 WeakPolarHBondContact O-CA 3.31Å; W120-Y144 VanDerWaalsContact O-CB 3.29Å; W120-Y144 WeakPolarHBondContact O-CB 3.37Å; W120-Y144 PolarHBondContact O-N 2.96Å |
| 121 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 130 | 171.2 | -53.4 | -65.2 | 0 | 0 | 0 | 108.3 | V36 F37 L38 T119 F123 Y144 G145 W439 L440 | V36-I121 PolarHBondContact O-N 3.24Å; F37-I121 WeakPolarHBondContact CA-O 3.12Å; F37-I121 HydrophobicContact CD1-CB 4.06Å; F37-I121 HydrophobicContact CD1-CG1 4.36Å; F37-I121 HydrophobicContact CE1-CB 4.11Å; F37-I121 HydrophobicContact CE1-CG1 4Å; L38-I121 PolarHBondContact N-O 2.89Å; T119-I121 HydrophobicContact CG2-CD1 4.31Å; I121-F123 HydrophobicContact CB-CE2 3.9Å; I121-F123 HydrophobicContact CB-CZ 4.18Å; I121-F123 HydrophobicContact CG2-CD2 4.41Å; I121-F123 HydrophobicContact CG2-CE1 4.3Å; I121-F123 HydrophobicContact CG2-CE2 3.6Å; I121-F123 HydrophobicContact CG2-CZ 3.54Å; I121-Y144 HydrophobicContact CD1-CD1 4.2Å; I121-G145 VanDerWaalsContact CA-O 3.31Å; I121-G145 WeakPolarHBondContact CA-O 3.46Å; I121-W439 HydrophobicContact CD1-CB 4.45Å; I121-W439 HydrophobicContact CD1-CE3 4.27Å; I121-L440 HydrophobicContact CD1-CD2 4.47Å; I121-L440 HydrophobicContact CG1-CD2 4.08Å |
| 122 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 149.1 | 176.3 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | L38 S132 G145 A146 V147 | L38-S122 CarbonylContact O-C 3.35Å; L38-S122 VanDerWaalsContact O-CA 3.27Å; L38-S122 WeakPolarHBondContact O-CA 3.36Å; S122-S132 WeakPolarHBondContact CB-OG 3.29Å; S122-S132 PolarHBondContact O-OG 3.03Å; S122-S132 PolarHBondContact OG-OG 3.29Å; S122-G145 PolarHBondContact N-O 2.99Å; S122-A146 CarbonylContact O-C 3.39Å; S122-A146 WeakPolarHBondContact O-CA 3.32Å; S122-A146 WeakPolarHBondContact OG-CB 3.42Å; S122-V147 PolarHBondContact O-N 2.83Å |
| 123 | F | 98.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 143.4 | -179.4 | -59.8 | -94.7 | 0 | 0 | 0 | 109.3 | F37 L38 I40 H56 M59 I121 S132 V147 M414 V436 | F37-F123 HydrophobicContact CB-CD2 4.26Å; F37-F123 HydrophobicContact CB-CE2 3.7Å; F37-F123 AromaticContact CD1-CE2 3.97Å; F37-F123 HydrophobicContact CD1-CE2 3.97Å; F37-F123 HydrophobicContact CD1-CZ 4.38Å; F37-F123 AromaticContact CD2-CE2 3.55Å; F37-F123 HydrophobicContact CD2-CE2 3.55Å; F37-F123 AromaticContact CD2-CZ 3.66Å; F37-F123 HydrophobicContact CD2-CZ 3.66Å; F37-F123 HydrophobicContact CE1-CE2 4.5Å; F37-F123 HydrophobicContact CE1-CZ 4.49Å; F37-F123 HydrophobicContact CE2-CE2 4.14Å; F37-F123 AromaticContact CE2-CZ 3.79Å; F37-F123 HydrophobicContact CE2-CZ 3.79Å; F37-F123 HydrophobicContact CG-CD2 4.47Å; F37-F123 AromaticContact CG-CE2 3.47Å; F37-F123 HydrophobicContact CG-CE2 3.47Å; F37-F123 VanDerWaalsContact CG-CE2 3.47Å; F37-F123 AromaticContact CG-CZ 4Å; F37-F123 HydrophobicContact CG-CZ 4Å; F37-F123 HydrophobicContact CZ-CZ 4.22Å; L38-F123 PolarHBondContact O-N 3.42Å; I40-F123 PolarHBondContact N-O 2.86Å; H56-F123 HydrophobicContact CB-CB 4.27Å; H56-F123 HydrophobicContact CB-CD1 3.76Å; H56-F123 HydrophobicContact CB-CD2 4.19Å; H56-F123 HydrophobicContact CB-CE1 4.13Å; H56-F123 HydrophobicContact CB-CG 3.8Å; H56-F123 HydrophobicContact CB-CZ 4.5Å; M59-F123 HydrophobicContact CE-CD1 4.39Å; M59-F123 HydrophobicContact CE-CE1 3.62Å; M59-F123 HydrophobicContact CE-CZ 4.35Å; I121-F123 HydrophobicContact CB-CE2 3.9Å; I121-F123 HydrophobicContact CB-CZ 4.18Å; I121-F123 HydrophobicContact CG2-CD2 4.41Å; I121-F123 HydrophobicContact CG2-CE1 4.3Å; I121-F123 HydrophobicContact CG2-CE2 3.6Å; I121-F123 HydrophobicContact CG2-CZ 3.54Å; F123-S132 PolarHBondContact N-OG 3.11Å; F123-V147 WeakPolarHBondContact CA-O 3.23Å; F123-V147 HydrophobicContact CD1-CB 3.7Å; F123-V147 HydrophobicContact CD1-CG1 4.39Å; F123-V147 HydrophobicContact CD1-CG2 3.88Å; F123-V147 HydrophobicContact CE1-CB 3.99Å; F123-V147 HydrophobicContact CE1-CG2 3.61Å; F123-V147 HydrophobicContact CZ-CG2 4.48Å; F123-M414 HydrophobicContact CB-CE 4.46Å; F123-V436 HydrophobicContact CE1-CG2 4.39Å |
| 124 | G | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | 155.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S128 G129 V147 S149 | G124-S128 WeakPolarHBondContact CA-OG 3.14Å; G124-G129 VanDerWaalsContact C-N 3.27Å; G124-G129 VanDerWaalsContact O-CA 3.24Å; G124-G129 WeakPolarHBondContact O-CA 3.49Å; G124-V147 PolarHBondContact N-O 2.78Å; G124-S149 PolarHBondContact O-N 2.75Å |
| 125 | G | 98.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 16.9 Ų | 16.9 | 13% | 0.134 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 144.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y127 S128 G129 S149 C411 M414 | G125-Y127 PolarHBondContact O-N 3.06Å; G125-S128 PolarHBondContact N-OG 2.75Å; G125-S128 WeakPolarHBondContact O-CA 3.5Å; G125-S128 WeakPolarHBondContact O-CB 3.44Å; G125-S128 PolarHBondContact O-N 3.4Å; G125-G129 VanDerWaalsContact C-N 3.33Å; G125-G129 PolarHBondContact O-N 3.49Å; G125-G129 VanDerWaalsContact O-N 3.16Å; G125-S149 CarbonylContact C-O 3.58Å; G125-S149 VanDerWaalsContact CA-O 3.29Å; G125-S149 WeakPolarHBondContact CA-O 3.44Å; G125-C411 WeakPolarHBondContact CA-SG 3.5Å; G125-M414 WeakPolarHBondContact CA-SD 3.36Å; G125-M414 PolarHBondContact N-SD 2.93Å; G125-M414 VanDerWaalsContact N-SD 3.35Å |
| 126 | S | 98.3 | Very high | 97.7 | Very high | 16 Ų | 16 | 15.7 Ų | 15.7 | 11% | 0.112 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | -134.4 | 179.9 | -155.6 | 0 | 0 | 0 | 0 | 111.8 | S128 G129 S130 S149 S150 P152 H410 C411 | S126-S128 PolarHBondContact O-N 3.11Å; S126-G129 CarbonylContact O-C 3.58Å; S126-G129 VanDerWaalsContact O-CA 3.26Å; S126-G129 WeakPolarHBondContact O-CA 3.41Å; S126-G129 PolarHBondContact O-N 2.72Å; S126-S130 PolarHBondContact O-N 3.3Å; S126-S149 PolarHBondContact N-O 2.99Å; S126-S150 WeakPolarHBondContact CA-O 3.22Å; S126-P152 WeakPolarHBondContact O-CD 3.29Å; S126-H410 WeakPolarHBondContact CB-NE2 3.21Å; S126-H410 PolarHBondContact OG-NE2 3.27Å; S126-C411 PolarHBondContact N-SG 3.08Å |
| 127 | Y | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 12.9 Ų | 12.9 | 1% | 0.012 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -54.7 | -36.2 | 172.8 | 167.5 | -121.4 | 0 | 0 | 0 | 113 | E43 H72 G125 G129 S130 L131 W134 W311 Q314 F319 | E43-Y127 HydrophobicContact CB-CD1 4.29Å; E43-Y127 WeakPolarHBondContact OE2-CB 3.43Å; H72-Y127 AromaticContact CD2-CE1 3.69Å; H72-Y127 AromaticContact NE2-CE1 3.5Å; H72-Y127 WeakPolarHBondContact NE2-CE1 3.48Å; H72-Y127 AromaticContact NE2-CZ 3.51Å; H72-Y127 PolarHBondContact NE2-OH 3.13Å; G125-Y127 PolarHBondContact O-N 3.06Å; Y127-G129 VanDerWaalsContact C-N 3.27Å; Y127-G129 PolarHBondContact O-N 2.88Å; Y127-S130 WeakPolarHBondContact O-CB 3.32Å; Y127-S130 PolarHBondContact O-N 3.25Å; Y127-S130 VanDerWaalsContact O-N 3.12Å; Y127-L131 HydrophobicContact CD1-CD1 4.28Å; Y127-L131 HydrophobicContact CD2-CG 4.37Å; Y127-L131 HydrophobicContact CE1-CD1 3.72Å; Y127-L131 HydrophobicContact CE1-CG 4.36Å; Y127-L131 HydrophobicContact CE2-CD1 4.12Å; Y127-L131 HydrophobicContact CE2-CD2 4.05Å; Y127-L131 HydrophobicContact CE2-CG 3.85Å; Y127-L131 PolarHBondContact O-N 3.44Å; Y127-W134 HydrophobicContact CD2-CZ3 4.49Å; Y127-W134 HydrophobicContact CE2-CZ3 4.05Å; Y127-W311 HydrophobicContact CD1-CH2 4.49Å; Y127-W311 AromaticContact CD1-CZ3 3.82Å; Y127-W311 HydrophobicContact CD1-CZ3 3.82Å; Y127-W311 HydrophobicContact CD2-CH2 4.4Å; Y127-W311 HydrophobicContact CD2-CZ3 4.23Å; Y127-W311 HydrophobicContact CE1-CZ3 4.34Å; Y127-W311 HydrophobicContact CG-CH2 4Å; Y127-W311 AromaticContact CG-CZ3 3.75Å; Y127-W311 HydrophobicContact CG-CZ3 3.75Å; Y127-Q314 PolarHBondContact OH-NE2 2.82Å; Y127-Q314 VanDerWaalsContact OH-NE2 3.11Å; Y127-F319 HydrophobicContact CD2-CE2 4.03Å; Y127-F319 HydrophobicContact CD2-CZ 4.01Å; Y127-F319 HydrophobicContact CE2-CE1 4.46Å; Y127-F319 AromaticContact CE2-CE2 3.7Å; Y127-F319 HydrophobicContact CE2-CE2 3.7Å; Y127-F319 AromaticContact CE2-CZ 3.45Å; Y127-F319 HydrophobicContact CE2-CZ 3.45Å; Y127-F319 VanDerWaalsContact CE2-CZ 3.45Å |
| 128 | S | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 10.2 Ų | 10.2 | 4% | 0.035 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.8 | -34.2 | 171.8 | 145.7 | 0 | 0 | 0 | 0 | 112.2 | I40 G124 G125 S126 L131 S132 | I40-S128 VanDerWaalsContact O-CB 3.24Å; I40-S128 WeakPolarHBondContact O-CB 3.25Å; I40-S128 PolarHBondContact O-OG 3.21Å; G124-S128 WeakPolarHBondContact CA-OG 3.14Å; G125-S128 PolarHBondContact N-OG 2.75Å; G125-S128 WeakPolarHBondContact O-CA 3.5Å; G125-S128 WeakPolarHBondContact O-CB 3.44Å; G125-S128 PolarHBondContact O-N 3.4Å; S126-S128 PolarHBondContact O-N 3.11Å; S128-L131 PolarHBondContact O-N 2.98Å; S128-S132 PolarHBondContact O-N 3.23Å |
| 129 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G124 G125 S126 Y127 L131 S132 A133 A148 A151 | G124-G129 VanDerWaalsContact C-N 3.27Å; G124-G129 VanDerWaalsContact O-CA 3.24Å; G124-G129 WeakPolarHBondContact O-CA 3.49Å; G125-G129 VanDerWaalsContact C-N 3.33Å; G125-G129 PolarHBondContact O-N 3.49Å; G125-G129 VanDerWaalsContact O-N 3.16Å; S126-G129 CarbonylContact O-C 3.58Å; S126-G129 VanDerWaalsContact O-CA 3.26Å; S126-G129 WeakPolarHBondContact O-CA 3.41Å; S126-G129 PolarHBondContact O-N 2.72Å; Y127-G129 VanDerWaalsContact C-N 3.27Å; Y127-G129 PolarHBondContact O-N 2.88Å; G129-L131 VanDerWaalsContact C-N 3.34Å; G129-L131 PolarHBondContact O-N 3.25Å; G129-S132 WeakPolarHBondContact O-CB 3.23Å; G129-S132 PolarHBondContact O-N 2.81Å; G129-A133 PolarHBondContact O-N 2.75Å; G129-A148 WeakPolarHBondContact O-CB 3.18Å; G129-A151 VanDerWaalsContact C-CB 3.47Å |
| 130 | S | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.007 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.7 | -44.6 | 173.3 | -59 | 0 | 0 | 0 | 0 | 111.2 | S126 Y127 S132 A133 W134 P152 | S126-S130 PolarHBondContact O-N 3.3Å; Y127-S130 WeakPolarHBondContact O-CB 3.32Å; Y127-S130 PolarHBondContact O-N 3.25Å; Y127-S130 VanDerWaalsContact O-N 3.12Å; S130-S132 VanDerWaalsContact C-N 3.35Å; S130-S132 PolarHBondContact O-N 3.1Å; S130-A133 PolarHBondContact O-N 3.02Å; S130-W134 WeakPolarHBondContact O-CB 3.5Å; S130-W134 PolarHBondContact O-N 3.01Å; S130-P152 WeakPolarHBondContact OG-CD 3.34Å; S130-P152 PolarHBondContact OG-O 2.85Å |
| 131 | L | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.3 | -39.8 | 174.1 | -69.4 | 170.3 | 0 | 0 | 0 | 112.6 | I40 H72 A97 L98 Y127 S128 G129 W134 F135 | I40-L131 HydrophobicContact CG2-CB 3.89Å; I40-L131 HydrophobicContact CG2-CD1 4.03Å; H72-L131 VanDerWaalsContact CD2-CD1 3.43Å; H72-L131 WeakPolarHBondContact CD2-CD1 3.17Å; A97-L131 HydrophobicContact CB-CD2 4.35Å; L98-L131 HydrophobicContact CD2-CB 4.5Å; L98-L131 HydrophobicContact CD2-CD2 3.97Å; L98-L131 WeakPolarHBondContact CD2-O 3.45Å; L98-L131 HydrophobicContact CG-CD2 4.24Å; Y127-L131 HydrophobicContact CD1-CD1 4.28Å; Y127-L131 HydrophobicContact CD2-CG 4.37Å; Y127-L131 HydrophobicContact CE1-CD1 3.72Å; Y127-L131 HydrophobicContact CE1-CG 4.36Å; Y127-L131 HydrophobicContact CE2-CD1 4.12Å; Y127-L131 HydrophobicContact CE2-CD2 4.05Å; Y127-L131 HydrophobicContact CE2-CG 3.85Å; Y127-L131 PolarHBondContact O-N 3.44Å; S128-L131 PolarHBondContact O-N 2.98Å; G129-L131 VanDerWaalsContact C-N 3.34Å; G129-L131 PolarHBondContact O-N 3.25Å; L131-W134 HydrophobicContact CD2-CE3 4.1Å; L131-W134 HydrophobicContact CD2-CZ3 4.35Å; L131-W134 PolarHBondContact O-N 2.97Å; L131-F135 WeakPolarHBondContact O-CB 3.27Å; L131-F135 PolarHBondContact O-N 3.07Å |
| 132 | S | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.2 | -48 | 175.3 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | S122 F123 S128 G129 S130 F135 R136 A146 V147 | S122-S132 WeakPolarHBondContact CB-OG 3.29Å; S122-S132 PolarHBondContact O-OG 3.03Å; S122-S132 PolarHBondContact OG-OG 3.29Å; F123-S132 PolarHBondContact N-OG 3.11Å; S128-S132 PolarHBondContact O-N 3.23Å; G129-S132 WeakPolarHBondContact O-CB 3.23Å; G129-S132 PolarHBondContact O-N 2.81Å; S130-S132 VanDerWaalsContact C-N 3.35Å; S130-S132 PolarHBondContact O-N 3.1Å; S132-F135 PolarHBondContact O-N 2.92Å; S132-R136 PolarHBondContact O-N 3.47Å; S132-R136 VanDerWaalsContact O-N 3.14Å; S132-A146 VanDerWaalsContact O-CB 3.31Å; S132-A146 WeakPolarHBondContact O-CB 3.46Å; S132-A146 WeakPolarHBondContact OG-CB 3.32Å; S132-V147 PolarHBondContact OG-O 3.38Å |
| 133 | A | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G129 S130 R136 G137 A148 V153 V377 Y379 | G129-A133 PolarHBondContact O-N 2.75Å; S130-A133 PolarHBondContact O-N 3.02Å; A133-R136 PolarHBondContact O-N 2.77Å; A133-G137 PolarHBondContact O-N 2.85Å; A133-A148 HydrophobicContact CB-CB 3.89Å; A133-V153 HydrophobicContact CB-CG1 4.22Å; A133-V377 HydrophobicContact CB-CG1 3.75Å; A133-Y379 HydrophobicContact CB-CE1 3.72Å |
| 134 | W | 98.3 | Very high | 97.7 | Very high | 8 Ų | 8 | 23.7 Ų | 23.7 | 3% | 0.03 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.5 | -33.4 | -178.8 | -58.8 | -25 | 0 | 0 | 0 | 112.8 | L98 Y127 S130 L131 G137 K138 F319 Y367 | L98-W134 HydrophobicContact CD1-CB 3.72Å; L98-W134 HydrophobicContact CD2-CB 4.16Å; Y127-W134 HydrophobicContact CD2-CZ3 4.49Å; Y127-W134 HydrophobicContact CE2-CZ3 4.05Å; S130-W134 WeakPolarHBondContact O-CB 3.5Å; S130-W134 PolarHBondContact O-N 3.01Å; L131-W134 HydrophobicContact CD2-CE3 4.1Å; L131-W134 HydrophobicContact CD2-CZ3 4.35Å; L131-W134 PolarHBondContact O-N 2.97Å; W134-G137 PolarHBondContact O-N 2.91Å; W134-K138 VanDerWaalsContact O-CB 3.32Å; W134-K138 WeakPolarHBondContact O-CB 3.27Å; W134-K138 WeakPolarHBondContact O-CG 3.41Å; W134-K138 PolarHBondContact O-N 3.36Å; W134-F319 AromaticContact CH2-CE1 3.73Å; W134-F319 HydrophobicContact CH2-CE1 3.73Å; W134-F319 HydrophobicContact CH2-CZ 4.29Å; W134-F319 HydrophobicContact CZ3-CE1 4.16Å; W134-F319 HydrophobicContact CZ3-CZ 4.35Å; W134-Y367 HydrophobicContact CB-CD1 3.82Å; W134-Y367 HydrophobicContact CB-CE1 3.83Å; W134-Y367 AromaticContact CD1-CD1 3.62Å; W134-Y367 AromaticContact CD1-CG 3.8Å; W134-Y367 AromaticContact CD2-CD1 3.66Å; W134-Y367 HydrophobicContact CD2-CD1 3.66Å; W134-Y367 HydrophobicContact CD2-CD2 4Å; W134-Y367 AromaticContact CD2-CE1 3.8Å; W134-Y367 HydrophobicContact CD2-CE1 3.8Å; W134-Y367 HydrophobicContact CD2-CE2 4.13Å; W134-Y367 AromaticContact CD2-CG 3.78Å; W134-Y367 HydrophobicContact CD2-CG 3.78Å; W134-Y367 AromaticContact CE2-CD2 3.79Å; W134-Y367 AromaticContact CE2-CG 3.63Å; W134-Y367 HydrophobicContact CE3-CD1 4.31Å; W134-Y367 HydrophobicContact CE3-CD2 4.29Å; W134-Y367 HydrophobicContact CE3-CE1 4Å; W134-Y367 AromaticContact CE3-CE2 3.98Å; W134-Y367 HydrophobicContact CE3-CE2 3.98Å; W134-Y367 HydrophobicContact CE3-CG 4.45Å; W134-Y367 AromaticContact CE3-CZ 3.83Å; W134-Y367 AromaticContact CG-CD1 3.4Å; W134-Y367 HydrophobicContact CG-CD1 3.4Å; W134-Y367 VanDerWaalsContact CG-CD1 3.4Å; W134-Y367 AromaticContact CG-CE1 3.74Å; W134-Y367 HydrophobicContact CG-CE1 3.74Å; W134-Y367 AromaticContact CG-CG 3.88Å; W134-Y367 HydrophobicContact CG-CG 3.88Å; W134-Y367 HydrophobicContact CH2-CD2 4.21Å; W134-Y367 HydrophobicContact CH2-CE2 4.23Å; W134-Y367 AromaticContact CZ2-CD2 3.89Å; W134-Y367 HydrophobicContact CZ2-CD2 3.89Å; W134-Y367 HydrophobicContact CZ2-CE2 4.35Å; W134-Y367 HydrophobicContact CZ2-CG 4.19Å; W134-Y367 HydrophobicContact CZ3-CD2 4.4Å; W134-Y367 HydrophobicContact CZ3-CE2 4.04Å; W134-Y367 AromaticContact NE1-CD1 3.96Å; W134-Y367 AromaticContact NE1-CG 3.65Å |
| 135 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63 | -45.9 | 174.3 | -174.6 | -130.7 | 0 | 0 | 0 | 110.4 | L38 I40 L98 L101 L131 S132 G137 K138 F139 L142 V143 | L38-F135 HydrophobicContact CD2-CE1 4.27Å; I40-F135 HydrophobicContact CD1-CB 4.4Å; I40-F135 HydrophobicContact CD1-CD1 4.38Å; L98-F135 HydrophobicContact CD2-CB 3.82Å; L101-F135 HydrophobicContact CB-CD1 4.48Å; L101-F135 HydrophobicContact CB-CD2 3.76Å; L101-F135 HydrophobicContact CB-CE1 4.28Å; L101-F135 HydrophobicContact CB-CE2 3.54Å; L101-F135 HydrophobicContact CB-CG 4.26Å; L101-F135 HydrophobicContact CB-CZ 3.83Å; L101-F135 HydrophobicContact CD1-CB 3.89Å; L101-F135 HydrophobicContact CD1-CD1 4.13Å; L101-F135 HydrophobicContact CD1-CD2 3.88Å; L101-F135 HydrophobicContact CD1-CE2 4.48Å; L101-F135 HydrophobicContact CD1-CG 3.71Å; L101-F135 HydrophobicContact CG-CD2 4.5Å; L131-F135 WeakPolarHBondContact O-CB 3.27Å; L131-F135 PolarHBondContact O-N 3.07Å; S132-F135 PolarHBondContact O-N 2.92Å; F135-G137 PolarHBondContact O-N 2.8Å; F135-K138 PolarHBondContact O-N 3.2Å; F135-F139 HydrophobicContact CD2-CB 4.01Å; F135-F139 AromaticContact CD2-CD2 3.62Å; F135-F139 HydrophobicContact CD2-CD2 3.62Å; F135-F139 HydrophobicContact CD2-CE2 4.46Å; F135-F139 HydrophobicContact CD2-CG 4.09Å; F135-F139 HydrophobicContact CE2-CB 3.78Å; F135-F139 AromaticContact CE2-CD2 3.86Å; F135-F139 HydrophobicContact CE2-CD2 3.86Å; F135-F139 AromaticContact CE2-CG 3.92Å; F135-F139 HydrophobicContact CE2-CG 3.92Å; F135-F139 WeakPolarHBondContact O-CA 3.27Å; F135-F139 WeakPolarHBondContact O-CB 3.38Å; F135-F139 PolarHBondContact O-N 3.09Å; F135-L142 HydrophobicContact CE2-CD1 4.41Å; F135-L142 HydrophobicContact CZ-CB 4.15Å; F135-L142 HydrophobicContact CZ-CD1 4.39Å; F135-V143 HydrophobicContact CD1-CB 3.94Å; F135-V143 HydrophobicContact CD1-CG1 3.56Å; F135-V143 HydrophobicContact CD1-CG2 4.47Å; F135-V143 HydrophobicContact CE1-CB 3.74Å; F135-V143 HydrophobicContact CE1-CG1 3.79Å; F135-V143 HydrophobicContact CE1-CG2 4.5Å; F135-V143 HydrophobicContact CG-CG1 4.19Å |
| 136 | R | 97.4 | Very high | 97.7 | Very high | 16 Ų | 16 | 23.1 Ų | 23.1 | 6% | 0.06 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 172.9 | 174.7 | 58.5 | -162 | 157.4 | 9.4 | 112.7 | S132 A133 P140 V143 Y144 A146 Y375 V377 | S132-R136 PolarHBondContact O-N 3.47Å; S132-R136 VanDerWaalsContact O-N 3.14Å; A133-R136 PolarHBondContact O-N 2.77Å; R136-P140 VanDerWaalsContact NH1-C 3.32Å; R136-P140 VanDerWaalsContact NH1-CB 3.33Å; R136-P140 PolarHBondContact NH1-O 2.82Å; R136-P140 WeakPolarHBondContact O-CA 3.22Å; R136-V143 VanDerWaalsContact CA-CG1 3.48Å; R136-V143 HydrophobicContact CB-CG1 3.89Å; R136-V143 WeakPolarHBondContact CD-O 3.15Å; R136-V143 PolarHBondContact NH1-O 3.46Å; R136-Y144 VanDerWaalsContact CZ-O 3.25Å; R136-Y144 PolarHBondContact NE-O 3.43Å; R136-Y144 PolarHBondContact NH1-O 2.83Å; R136-A146 HydrophobicContact CB-CB 3.64Å; R136-A146 HydrophobicContact CG-CB 4.22Å; R136-Y375 PolarHBondContact NE-O 3Å; R136-V377 HydrophobicContact CB-CG2 3.95Å; R136-V377 HydrophobicContact CG-CG2 3.58Å |
| 137 | G | 95.1 | Very high | 97.7 | Very high | 35 Ų | 35 | 22.6 Ų | 22.6 | 36% | 0.361 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -66.5 | -37.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A133 W134 F135 | A133-G137 PolarHBondContact O-N 2.85Å; W134-G137 PolarHBondContact O-N 2.91Å; F135-G137 PolarHBondContact O-N 2.8Å |
| 138 | K | 96.6 | Very high | 97.6 | Very high | 82 Ų | 82 | 22.5 Ų | 22.5 | 36% | 0.357 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -95.8 | -28.3 | -174.5 | -65.8 | -67.7 | -178.5 | 176.3 | 0 | 114 | L98 W134 F135 P140 Y366 | L98-K138 HydrophobicContact CD1-CG 4.45Å; W134-K138 VanDerWaalsContact O-CB 3.32Å; W134-K138 WeakPolarHBondContact O-CB 3.27Å; W134-K138 WeakPolarHBondContact O-CG 3.41Å; W134-K138 PolarHBondContact O-N 3.36Å; F135-K138 PolarHBondContact O-N 3.2Å; K138-P140 WeakPolarHBondContact O-CD 3.47Å; K138-Y366 HydrophobicContact CD-CE1 4.37Å; K138-Y366 VanDerWaalsContact CE-O 3.22Å; K138-Y366 WeakPolarHBondContact CE-O 3.44Å; K138-Y366 PolarHBondContact NZ-O 2.8Å |
| 139 | F | 97.4 | Very high | 97.6 | Very high | 55 Ų | 55 | 22.2 Ų | 22.2 | 24% | 0.241 | 12% | 0.121 | C | C | . | . | trans | -125.7 | 55.1 | -179.1 | -58.3 | -88.2 | 0 | 0 | 0 | 111.7 | L98 A102 F135 N141 L142 V143 | L98-F139 HydrophobicContact CB-CE2 3.98Å; A102-F139 HydrophobicContact CB-CD1 4.12Å; A102-F139 HydrophobicContact CB-CE1 3.98Å; A102-F139 HydrophobicContact CB-CZ 4.43Å; F135-F139 HydrophobicContact CD2-CB 4.01Å; F135-F139 AromaticContact CD2-CD2 3.62Å; F135-F139 HydrophobicContact CD2-CD2 3.62Å; F135-F139 HydrophobicContact CD2-CE2 4.46Å; F135-F139 HydrophobicContact CD2-CG 4.09Å; F135-F139 HydrophobicContact CE2-CB 3.78Å; F135-F139 AromaticContact CE2-CD2 3.86Å; F135-F139 HydrophobicContact CE2-CD2 3.86Å; F135-F139 AromaticContact CE2-CG 3.92Å; F135-F139 HydrophobicContact CE2-CG 3.92Å; F135-F139 WeakPolarHBondContact O-CA 3.27Å; F135-F139 WeakPolarHBondContact O-CB 3.38Å; F135-F139 PolarHBondContact O-N 3.09Å; F139-N141 PolarHBondContact O-N 2.86Å; F139-L142 HydrophobicContact CB-CB 4.23Å; F139-L142 HydrophobicContact CB-CD1 3.98Å; F139-L142 HydrophobicContact CB-CG 4.12Å; F139-L142 HydrophobicContact CD1-CD1 4Å; F139-L142 HydrophobicContact CG-CD1 4.27Å; F139-L142 PolarHBondContact O-N 3.31Å; F139-V143 PolarHBondContact O-N 3.14Å | ||
| 140 | P | 95.6 | Very high | 97.6 | Very high | 66 Ų | 66 | 22.2 Ų | 22.2 | 43% | 0.429 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -11.8 | -176.3 | 29 | -37 | 0 | 0 | 0 | 113.8 | R136 K138 | R136-P140 VanDerWaalsContact NH1-C 3.32Å; R136-P140 VanDerWaalsContact NH1-CB 3.33Å; R136-P140 PolarHBondContact NH1-O 2.82Å; R136-P140 WeakPolarHBondContact O-CA 3.22Å; K138-P140 WeakPolarHBondContact O-CD 3.47Å |
| 141 | N | 95.1 | Very high | 97.6 | Very high | 131 Ų | 131 | 22.2 Ų | 22.2 | 70% | 0.701 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -14.3 | 172.4 | 63.3 | -60.5 | 0 | 0 | 0 | 113.4 | F139 | F139-N141 PolarHBondContact O-N 2.86Š|
| 142 | L | 97.6 | Very high | 97.5 | Very high | 36 Ų | 36 | 22.2 Ų | 22.2 | 19% | 0.188 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -38.6 | -177.1 | -57.3 | -174.6 | 0 | 0 | 0 | 112.8 | A102 H105 F135 F139 | A102-L142 HydrophobicContact CB-CD1 3.62Å; H105-L142 PolarHBondContact CD2-O 3.43Å; H105-L142 PolarHBondContact NE2-O 3.35Å; F135-L142 HydrophobicContact CE2-CD1 4.41Å; F135-L142 HydrophobicContact CZ-CB 4.15Å; F135-L142 HydrophobicContact CZ-CD1 4.39Å; F139-L142 HydrophobicContact CB-CB 4.23Å; F139-L142 HydrophobicContact CB-CD1 3.98Å; F139-L142 HydrophobicContact CB-CG 4.12Å; F139-L142 HydrophobicContact CD1-CD1 4Å; F139-L142 HydrophobicContact CG-CD1 4.27Å; F139-L142 PolarHBondContact O-N 3.31Å |
| 143 | V | 97.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | trans | -121.6 | 129.6 | 179.2 | 64.6 | 0 | 0 | 0 | 0 | 109.6 | W120 F135 R136 F139 G145 | W120-V143 HydrophobicContact CB-CG2 4.28Å; F135-V143 HydrophobicContact CD1-CB 3.94Å; F135-V143 HydrophobicContact CD1-CG1 3.56Å; F135-V143 HydrophobicContact CD1-CG2 4.47Å; F135-V143 HydrophobicContact CE1-CB 3.74Å; F135-V143 HydrophobicContact CE1-CG1 3.79Å; F135-V143 HydrophobicContact CE1-CG2 4.5Å; F135-V143 HydrophobicContact CG-CG1 4.19Å; R136-V143 VanDerWaalsContact CA-CG1 3.48Å; R136-V143 HydrophobicContact CB-CG1 3.89Å; R136-V143 WeakPolarHBondContact CD-O 3.15Å; R136-V143 PolarHBondContact NH1-O 3.46Å; F139-V143 PolarHBondContact O-N 3.14Å; V143-G145 WeakPolarHBondContact CG2-O 3.43Å | ||
| 144 | Y | 97.4 | Very high | 97.4 | Very high | 28 Ų | 28 | 25.2 Ų | 25.2 | 11% | 0.11 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -77.9 | -35.5 | -172.8 | -174.7 | -88.5 | 0 | 0 | 0 | 113.2 | T119 W120 I121 R136 R376 W439 T442 A443 E446 | T119-Y144 HydrophobicContact CG2-CD1 3.98Å; T119-Y144 HydrophobicContact CG2-CD2 4.24Å; T119-Y144 HydrophobicContact CG2-CG 3.65Å; W120-Y144 WeakPolarHBondContact O-CA 3.31Å; W120-Y144 VanDerWaalsContact O-CB 3.29Å; W120-Y144 WeakPolarHBondContact O-CB 3.37Å; W120-Y144 PolarHBondContact O-N 2.96Å; I121-Y144 HydrophobicContact CD1-CD1 4.2Å; R136-Y144 VanDerWaalsContact CZ-O 3.25Å; R136-Y144 PolarHBondContact NE-O 3.43Å; R136-Y144 PolarHBondContact NH1-O 2.83Å; Y144-R376 VanDerWaalsContact CZ-CZ 3.44Å; Y144-R376 WeakPolarHBondContact O-CB 3.43Å; Y144-R376 VanDerWaalsContact O-CD 3.23Å; Y144-R376 WeakPolarHBondContact O-CD 3.21Å; Y144-R376 PolarHBondContact OH-NH1 3.16Å; Y144-R376 VanDerWaalsContact OH-NH1 3.15Å; Y144-R376 PolarHBondContact OH-NH2 3.29Å; Y144-W439 HydrophobicContact CD1-CB 4.07Å; Y144-W439 HydrophobicContact CE1-CB 3.78Å; Y144-W439 HydrophobicContact CE1-CG 4.3Å; Y144-W439 WeakPolarHBondContact CE1-O 3.43Å; Y144-T442 WeakPolarHBondContact OH-CB 3.47Å; Y144-T442 VanDerWaalsContact OH-CG2 3.27Å; Y144-T442 WeakPolarHBondContact OH-CG2 3.47Å; Y144-A443 HydrophobicContact CD1-CB 4.2Å; Y144-A443 HydrophobicContact CD2-CB 3.81Å; Y144-A443 HydrophobicContact CE1-CB 3.88Å; Y144-A443 HydrophobicContact CE2-CB 3.42Å; Y144-A443 VanDerWaalsContact CE2-CB 3.42Å; Y144-A443 HydrophobicContact CG-CB 4.17Å; Y144-A443 VanDerWaalsContact CZ-CB 3.47Å; Y144-A443 PolarHBondContact OH-N 3.17Å; Y144-A443 VanDerWaalsContact OH-N 3.14Å; Y144-E446 WeakPolarHBondContact CE2-OE2 3.29Å; Y144-E446 PolarHBondContact OH-OE2 3.21Å |
| 145 | G | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 163.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I121 S122 V143 R376 | I121-G145 VanDerWaalsContact CA-O 3.31Å; I121-G145 WeakPolarHBondContact CA-O 3.46Å; S122-G145 PolarHBondContact N-O 2.99Å; V143-G145 WeakPolarHBondContact CG2-O 3.43Å; G145-R376 CarbonylContact C-O 3.59Å; G145-R376 WeakPolarHBondContact CA-O 3.37Å |
| 146 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 133.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S122 S132 R136 R376 V377 L378 W439 | S122-A146 CarbonylContact O-C 3.39Å; S122-A146 WeakPolarHBondContact O-CA 3.32Å; S122-A146 WeakPolarHBondContact OG-CB 3.42Å; S132-A146 VanDerWaalsContact O-CB 3.31Å; S132-A146 WeakPolarHBondContact O-CB 3.46Å; S132-A146 WeakPolarHBondContact OG-CB 3.32Å; R136-A146 HydrophobicContact CB-CB 3.64Å; R136-A146 HydrophobicContact CG-CB 4.22Å; A146-R376 PolarHBondContact N-O 3.1Å; A146-V377 HydrophobicContact CB-CG1 4.34Å; A146-V377 HydrophobicContact CB-CG2 4.33Å; A146-V377 WeakPolarHBondContact O-CA 3.45Å; A146-L378 PolarHBondContact O-N 3.15Å; A146-W439 WeakPolarHBondContact O-CH2 3.37Å |
| 147 | V | 98.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 4% | 0.036 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 117.3 | 162.6 | -176.6 | 0 | 0 | 0 | 0 | 107.3 | S122 F123 G124 S132 L378 V380 I432 V436 W439 | S122-V147 PolarHBondContact O-N 2.83Å; F123-V147 WeakPolarHBondContact CA-O 3.23Å; F123-V147 HydrophobicContact CD1-CB 3.7Å; F123-V147 HydrophobicContact CD1-CG1 4.39Å; F123-V147 HydrophobicContact CD1-CG2 3.88Å; F123-V147 HydrophobicContact CE1-CB 3.99Å; F123-V147 HydrophobicContact CE1-CG2 3.61Å; F123-V147 HydrophobicContact CZ-CG2 4.48Å; G124-V147 PolarHBondContact N-O 2.78Å; S132-V147 PolarHBondContact OG-O 3.38Å; V147-L378 HydrophobicContact CG2-CD2 4.43Å; V147-V380 HydrophobicContact CG1-CG2 4.13Å; V147-I432 HydrophobicContact CG1-CG2 4.11Å; V147-I432 HydrophobicContact CG2-CG2 4.31Å; V147-V436 HydrophobicContact CG2-CG2 3.77Å; V147-W439 HydrophobicContact CG2-CZ3 4.3Å |
| 148 | A | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 90.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | G129 A133 A151 V377 L378 Y379 V380 | G129-A148 WeakPolarHBondContact O-CB 3.18Å; A133-A148 HydrophobicContact CB-CB 3.89Å; A148-A151 HydrophobicContact CB-CB 3.91Å; A148-V377 HydrophobicContact CB-CG1 4.23Å; A148-L378 PolarHBondContact N-O 3.06Å; A148-Y379 HydrophobicContact CB-CD1 4.12Å; A148-Y379 HydrophobicContact CB-CE1 4.39Å; A148-V380 PolarHBondContact O-N 3.43Å |
| 149 | S | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 129.6 | -179.2 | 178 | 0 | 0 | 0 | 0 | 111.3 | G124 G125 S126 A151 C411 D413 | G124-S149 PolarHBondContact O-N 2.75Å; G125-S149 CarbonylContact C-O 3.58Å; G125-S149 VanDerWaalsContact CA-O 3.29Å; G125-S149 WeakPolarHBondContact CA-O 3.44Å; S126-S149 PolarHBondContact N-O 2.99Å; S149-A151 PolarHBondContact O-N 3.46Å; S149-A151 VanDerWaalsContact O-N 3.08Å; S149-C411 WeakPolarHBondContact OG-CA 3.29Å; S149-D413 WeakPolarHBondContact CB-OD2 3.49Å; S149-D413 VanDerWaalsContact OG-CG 3.28Å; S149-D413 PolarHBondContact OG-OD1 2.93Å; S149-D413 PolarHBondContact OG-OD2 3.07Å |
| 150 | S | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 41.6 | 175.8 | -48.3 | 0 | 0 | 0 | 0 | 112.4 | S126 P152 V380 D385 H410 C411 | S126-S150 WeakPolarHBondContact CA-O 3.22Å; S150-P152 WeakPolarHBondContact O-CD 3.4Å; S150-V380 WeakPolarHBondContact CA-O 3.44Å; S150-V380 PolarHBondContact N-O 2.71Å; S150-D385 VanDerWaalsContact CB-OD2 3.25Å; S150-D385 WeakPolarHBondContact CB-OD2 3.42Å; S150-D385 PolarHBondContact OG-OD2 3.33Å; S150-H410 VanDerWaalsContact CB-CE1 3.48Å; S150-H410 WeakPolarHBondContact CB-CE1 3.28Å; S150-H410 VanDerWaalsContact CB-ND1 3.33Å; S150-H410 WeakPolarHBondContact CB-ND1 3.42Å; S150-H410 PolarHBondContact O-CE1 3.26Å; S150-C411 PolarHBondContact OG-N 3.15Å |
| 151 | A | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -85.7 | 109.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G129 A148 S149 V153 S391 | G129-A151 VanDerWaalsContact C-CB 3.47Å; A148-A151 HydrophobicContact CB-CB 3.91Å; S149-A151 PolarHBondContact O-N 3.46Å; S149-A151 VanDerWaalsContact O-N 3.08Å; A151-V153 VanDerWaalsContact C-N 3.3Å; A151-V153 HydrophobicContact CB-CG1 4.23Å; A151-V153 PolarHBondContact O-N 3.33Å; A151-S391 WeakPolarHBondContact O-CA 3.29Å; A151-S391 VanDerWaalsContact O-CB 3.23Å; A151-S391 WeakPolarHBondContact O-CB 3.1Å; A151-S391 PolarHBondContact O-OG 3.44Å | ||
| 152 | P | 97.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.019 | 9% | 0.086 | C | C | . | . | trans | -75.9 | 83.9 | 173.9 | 33.1 | -33.8 | 0 | 0 | 0 | 109.7 | S126 S130 S150 F321 W387 L390 | S126-P152 WeakPolarHBondContact O-CD 3.29Å; S130-P152 WeakPolarHBondContact OG-CD 3.34Å; S130-P152 PolarHBondContact OG-O 2.85Å; S150-P152 WeakPolarHBondContact O-CD 3.4Å; P152-F321 HydrophobicContact CB-CE2 4.44Å; P152-F321 HydrophobicContact CB-CZ 4.04Å; P152-F321 HydrophobicContact CG-CE2 4.32Å; P152-F321 HydrophobicContact CG-CZ 4.35Å; P152-W387 HydrophobicContact CB-CE3 3.7Å; P152-W387 HydrophobicContact CB-CZ3 4.18Å; P152-W387 HydrophobicContact CG-CE3 3.98Å; P152-W387 HydrophobicContact CG-CZ3 4.33Å; P152-L390 CarbonylContact C-O 3.5Å; P152-L390 WeakPolarHBondContact CA-O 3.37Å; P152-L390 HydrophobicContact CB-CB 3.83Å; P152-L390 HydrophobicContact CB-CD1 4.48Å | ||
| 153 | V | 96.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | trans | -80.9 | -16.7 | -179.6 | -69.4 | 0 | 0 | 0 | 0 | 113.5 | A133 A151 G369 Y379 L390 V392 | A133-V153 HydrophobicContact CB-CG1 4.22Å; A151-V153 VanDerWaalsContact C-N 3.3Å; A151-V153 HydrophobicContact CB-CG1 4.23Å; A151-V153 PolarHBondContact O-N 3.33Å; V153-G369 VanDerWaalsContact CG2-O 3.32Å; V153-G369 WeakPolarHBondContact CG2-O 3.2Å; V153-Y379 HydrophobicContact CG1-CE1 3.95Å; V153-Y379 HydrophobicContact CG2-CE1 4.41Å; V153-L390 PolarHBondContact N-O 3.29Å; V153-V392 HydrophobicContact CG2-CG2 3.9Å | ||
| 154 | K | 97.7 | Very high | 97.4 | Very high | 61 Ų | 61 | 17.7 Ų | 17.7 | 27% | 0.265 | 9% | 0.087 | S | C | . | . | S | Bend | trans | -94.9 | 108.5 | 173.9 | -172.9 | -171.4 | -163.5 | 161.5 | 0 | 110.3 | F321 D370 L390 | K154-F321 WeakPolarHBondContact O-CE1 3.21Å; K154-D370 HydrophobicContact CB-CB 4.13Å; K154-D370 HydrophobicContact CD-CB 4.04Å; K154-D370 WeakPolarHBondContact CE-OD2 3.44Å; K154-D370 HydrophobicContact CG-CB 4.47Å; K154-D370 IonicContact NZ-OD1 3.51Å; K154-D370 IonicContact NZ-OD2 2.69Å; K154-D370 PolarHBondContact NZ-OD2 2.76Å; K154-L390 HydrophobicContact CB-CB 4.37Å; K154-L390 HydrophobicContact CB-CD2 4.45Å; K154-L390 WeakPolarHBondContact CB-O 3.4Å; K154-L390 HydrophobicContact CD-CD2 4.26Å; K154-L390 PolarHBondContact N-O 3.44Å |
| 155 | A | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 3% | 0.033 | 8% | 0.083 | C | C | . | . | trans | -64.5 | 139.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | I360 T363 N364 | A155-I360 HydrophobicContact CB-CG2 3.86Å; A155-T363 HydrophobicContact CB-CG2 3.73Å; A155-N364 PolarHBondContact N-OD1 3.14Å; A155-N364 PolarHBondContact O-ND2 3.49Å; A155-N364 PolarHBondContact O-OD1 3.07Å | ||
| 156 | K | 98.1 | Very high | 97.4 | Very high | 57 Ų | 57 | 16.6 Ų | 16.6 | 25% | 0.248 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 129.3 | -178.9 | -167.3 | 178.5 | -173.4 | -179.1 | 0 | 110.6 | D158 F159 E161 F319 G320 F321 L390 | K156-D158 VanDerWaalsContact CD-O 3.25Å; K156-D158 WeakPolarHBondContact CD-O 3.23Å; K156-D158 WeakPolarHBondContact CE-O 3.41Å; K156-D158 WeakPolarHBondContact CG-O 3.32Å; K156-F159 HydrophobicContact CD-CD2 4.48Å; K156-E161 IonicContact NZ-OE1 4Å; K156-E161 PolarHBondContact NZ-OE1 2.86Å; K156-E161 IonicContact NZ-OE2 2.74Å; K156-E161 PolarHBondContact NZ-OE2 2.99Å; K156-F319 CarbonylContact C-O 3.51Å; K156-F319 PolarHBondContact N-O 2.81Å; K156-G320 CarbonylContact O-C 3.57Å; K156-F321 PolarHBondContact O-N 3.48Å; K156-L390 HydrophobicContact CB-CD1 4.45Å; K156-L390 HydrophobicContact CB-CD2 3.79Å; K156-L390 HydrophobicContact CD-CD2 3.86Å; K156-L390 HydrophobicContact CG-CD2 4.47Å |
| 157 | L | 97.7 | Very high | 97.3 | Very high | 38 Ų | 38 | 16.8 Ų | 16.8 | 20% | 0.199 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | -66.4 | -178.5 | -179 | 61.2 | 0 | 0 | 0 | 111.1 | Y322 L338 T342 L356 P357 I360 | L157-Y322 HydrophobicContact CD1-CD2 3.73Å; L157-Y322 HydrophobicContact CD1-CE2 3.67Å; L157-Y322 WeakPolarHBondContact O-CB 3.43Å; L157-Y322 WeakPolarHBondContact O-CD2 3.43Å; L157-Y322 PolarHBondContact O-N 3.47Å; L157-L338 HydrophobicContact CD1-CD1 4.4Å; L157-L338 HydrophobicContact CD2-CD2 4.23Å; L157-L338 HydrophobicContact CG-CD1 4.13Å; L157-L338 HydrophobicContact CG-CD2 4.24Å; L157-T342 HydrophobicContact CD1-CG2 4.33Å; L157-L356 HydrophobicContact CD1-CB 3.85Å; L157-L356 HydrophobicContact CD1-CD1 4.03Å; L157-P357 HydrophobicContact CD2-CG 4.05Å; L157-I360 HydrophobicContact CB-CD1 3.55Å; L157-I360 HydrophobicContact CD1-CD1 3.56Å; L157-I360 HydrophobicContact CG-CD1 4.12Å |
| 158 | D | 97.2 | Very high | 97.2 | Very high | 53 Ų | 53 | 21.6 Ų | 21.6 | 28% | 0.283 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 116.8 | 178.7 | -172.5 | 4.8 | 0 | 0 | 0 | 109.6 | K156 T324 L338 | K156-D158 VanDerWaalsContact CD-O 3.25Å; K156-D158 WeakPolarHBondContact CD-O 3.23Å; K156-D158 WeakPolarHBondContact CE-O 3.41Å; K156-D158 WeakPolarHBondContact CG-O 3.32Å; D158-T324 WeakPolarHBondContact OD1-CB 2.96Å; D158-T324 WeakPolarHBondContact OD1-CG2 3.38Å; D158-T324 PolarHBondContact OD1-OG1 3.08Å; D158-L338 HydrophobicContact CB-CD1 4.12Å; D158-L338 HydrophobicContact CB-CD2 3.96Å |
| 159 | F | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -116.9 | 55.7 | -175.4 | -172.7 | -154.7 | 0 | 0 | 0 | 111.8 | K156 E161 Y162 Y322 P386 W387 E389 L390 | K156-F159 HydrophobicContact CD-CD2 4.48Å; F159-E161 HydrophobicContact CD2-CB 4.29Å; F159-E161 HydrophobicContact CE2-CB 4.04Å; F159-E161 PolarHBondContact O-N 3.26Å; F159-Y162 HydrophobicContact CD1-CD2 4.16Å; F159-Y162 HydrophobicContact CD1-CG 4.47Å; F159-Y162 AromaticContact CE1-CD2 3.62Å; F159-Y162 HydrophobicContact CE1-CD2 3.62Å; F159-Y162 HydrophobicContact CE1-CG 4.17Å; F159-Y162 HydrophobicContact CZ-CD2 4.2Å; F159-Y162 VanDerWaalsContact O-CB 3.31Å; F159-Y162 WeakPolarHBondContact O-CB 3.47Å; F159-Y162 PolarHBondContact O-N 3.2Å; F159-Y322 WeakPolarHBondContact CA-O 3.48Å; F159-Y322 PolarHBondContact N-O 3.41Å; F159-P386 WeakPolarHBondContact CZ-O 3.45Å; F159-W387 HydrophobicContact CD1-CE3 4.38Å; F159-W387 HydrophobicContact CD1-CZ3 4.07Å; F159-W387 HydrophobicContact CE1-CD2 4.25Å; F159-W387 AromaticContact CE1-CE3 3.63Å; F159-W387 HydrophobicContact CE1-CE3 3.63Å; F159-W387 AromaticContact CE1-CZ3 3.79Å; F159-W387 HydrophobicContact CE1-CZ3 3.79Å; F159-E389 HydrophobicContact CE2-CB 3.79Å; F159-E389 HydrophobicContact CZ-CB 4.12Å; F159-L390 HydrophobicContact CD1-CD1 3.5Å; F159-L390 HydrophobicContact CD1-CG 4.3Å; F159-L390 HydrophobicContact CD2-CD1 4.04Å; F159-L390 HydrophobicContact CD2-CD2 4.16Å; F159-L390 HydrophobicContact CD2-CG 4.11Å; F159-L390 HydrophobicContact CE1-CD1 3.39Å; F159-L390 HydrophobicContact CE1-CG 3.87Å; F159-L390 HydrophobicContact CE2-CD1 3.98Å; F159-L390 HydrophobicContact CE2-CD2 4.06Å; F159-L390 HydrophobicContact CE2-CG 3.7Å; F159-L390 HydrophobicContact CG-CD1 3.83Å; F159-L390 HydrophobicContact CG-CG 4.41Å; F159-L390 HydrophobicContact CZ-CD1 3.67Å; F159-L390 HydrophobicContact CZ-CD2 4.43Å; F159-L390 HydrophobicContact CZ-CG 3.58Å | ||
| 160 | S | 95.9 | Very high | 97.2 | Very high | 17 Ų | 17 | 21.7 Ų | 21.7 | 12% | 0.119 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -25.9 | 176 | 61 | 0 | 0 | 0 | 0 | 113.7 | Y162 S163 N164 T324 | S160-Y162 PolarHBondContact O-N 2.81Å; S160-S163 PolarHBondContact O-N 3.35Å; S160-S163 VanDerWaalsContact O-N 3.11Å; S160-N164 PolarHBondContact O-N 3.02Å; S160-T324 WeakPolarHBondContact CB-OG1 3.32Å |
| 161 | E | 96.1 | Very high | 97.2 | Very high | 59 Ų | 59 | 24.8 Ų | 24.8 | 28% | 0.276 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -63.4 | -23.1 | 178.3 | -61.9 | 86.2 | 165.6 | 0 | 0 | 113 | K156 F159 S163 N164 V165 E389 | K156-E161 IonicContact NZ-OE1 4Å; K156-E161 PolarHBondContact NZ-OE1 2.86Å; K156-E161 IonicContact NZ-OE2 2.74Å; K156-E161 PolarHBondContact NZ-OE2 2.99Å; F159-E161 HydrophobicContact CD2-CB 4.29Å; F159-E161 HydrophobicContact CE2-CB 4.04Å; F159-E161 PolarHBondContact O-N 3.26Å; E161-S163 VanDerWaalsContact C-N 3.31Å; E161-S163 PolarHBondContact O-N 3.27Å; E161-N164 WeakPolarHBondContact O-CB 3.13Å; E161-N164 PolarHBondContact O-N 2.85Å; E161-N164 VanDerWaalsContact O-N 3.14Å; E161-V165 PolarHBondContact O-N 2.69Å; E161-E389 HydrophobicContact CB-CB 4.37Å; E161-E389 HydrophobicContact CB-CG 4.14Å |
| 162 | Y | 97.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -51.9 | -53.7 | 171.3 | -174.7 | -73.7 | 0 | 0 | 0 | 110.3 | F159 S160 N164 V165 V166 M232 Q236 Q323 P386 W387 | F159-Y162 HydrophobicContact CD1-CD2 4.16Å; F159-Y162 HydrophobicContact CD1-CG 4.47Å; F159-Y162 AromaticContact CE1-CD2 3.62Å; F159-Y162 HydrophobicContact CE1-CD2 3.62Å; F159-Y162 HydrophobicContact CE1-CG 4.17Å; F159-Y162 HydrophobicContact CZ-CD2 4.2Å; F159-Y162 VanDerWaalsContact O-CB 3.31Å; F159-Y162 WeakPolarHBondContact O-CB 3.47Å; F159-Y162 PolarHBondContact O-N 3.2Å; S160-Y162 PolarHBondContact O-N 2.81Å; Y162-N164 VanDerWaalsContact C-N 3.25Å; Y162-N164 PolarHBondContact O-N 3.46Å; Y162-V165 PolarHBondContact O-N 2.61Å; Y162-V166 HydrophobicContact CD1-CG2 3.96Å; Y162-V166 HydrophobicContact CE1-CG2 3.64Å; Y162-V166 WeakPolarHBondContact O-CG2 3.28Å; Y162-V166 PolarHBondContact O-N 3.11Å; Y162-M232 HydrophobicContact CD1-CE 3.57Å; Y162-M232 HydrophobicContact CD1-CG 4.42Å; Y162-M232 HydrophobicContact CE1-CB 3.81Å; Y162-M232 HydrophobicContact CE1-CE 3.23Å; Y162-M232 HydrophobicContact CE1-CG 3.76Å; Y162-M232 HydrophobicContact CE1-SD 4.21Å; Y162-Q236 PolarHBondContact OH-OE1 2.98Å; Y162-Q323 HydrophobicContact CD1-CG 4.16Å; Y162-Q323 HydrophobicContact CD2-CG 3.96Å; Y162-Q323 HydrophobicContact CE2-CG 4.49Å; Y162-Q323 HydrophobicContact CG-CB 4.5Å; Y162-Q323 HydrophobicContact CG-CG 3.79Å; Y162-P386 HydrophobicContact CD1-CB 3.9Å; Y162-P386 HydrophobicContact CD1-CG 4.37Å; Y162-P386 HydrophobicContact CD2-CB 3.42Å; Y162-P386 VanDerWaalsContact CD2-CB 3.42Å; Y162-P386 HydrophobicContact CD2-CG 4.4Å; Y162-P386 HydrophobicContact CE1-CB 3.88Å; Y162-P386 HydrophobicContact CE1-CG 3.93Å; Y162-P386 HydrophobicContact CE2-CB 3.47Å; Y162-P386 VanDerWaalsContact CE2-CB 3.47Å; Y162-P386 HydrophobicContact CE2-CG 4.03Å; Y162-P386 HydrophobicContact CG-CB 3.64Å; Y162-W387 HydrophobicContact CE2-CD2 4.36Å; Y162-W387 AromaticContact CE2-CE2 3.84Å; Y162-W387 HydrophobicContact CE2-CG 4.48Å; Y162-W387 HydrophobicContact CE2-CZ2 4.27Å; Y162-W387 AromaticContact CE2-NE1 3.6Å |
| 163 | S | 96.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -32.7 | -179.5 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | S160 E161 V166 G167 T324 C330 P331 | S160-S163 PolarHBondContact O-N 3.35Å; S160-S163 VanDerWaalsContact O-N 3.11Å; E161-S163 VanDerWaalsContact C-N 3.31Å; E161-S163 PolarHBondContact O-N 3.27Å; S163-V166 WeakPolarHBondContact O-CB 3.28Å; S163-V166 PolarHBondContact O-N 3.01Å; S163-G167 PolarHBondContact O-N 2.74Å; S163-T324 PolarHBondContact OG-O 3.21Å; S163-T324 VanDerWaalsContact OG-O 3.14Å; S163-C330 WeakPolarHBondContact CB-SG 3.35Å; S163-P331 WeakPolarHBondContact O-CD 3.48Å |
| 164 | N | 94.7 | Very high | 97 | Very high | 38 Ų | 38 | 37 Ų | 37 | 20% | 0.203 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.2 | -45.7 | 177 | -67.7 | -13.7 | 0 | 0 | 0 | 111.8 | S160 E161 Y162 V166 G167 L168 T329 C330 | S160-N164 PolarHBondContact O-N 3.02Å; E161-N164 WeakPolarHBondContact O-CB 3.13Å; E161-N164 PolarHBondContact O-N 2.85Å; E161-N164 VanDerWaalsContact O-N 3.14Å; Y162-N164 VanDerWaalsContact C-N 3.25Å; Y162-N164 PolarHBondContact O-N 3.46Å; N164-V166 VanDerWaalsContact C-N 3.28Å; N164-V166 PolarHBondContact O-N 3.04Å; N164-G167 PolarHBondContact O-N 2.9Å; N164-G167 VanDerWaalsContact O-N 3.16Å; N164-L168 WeakPolarHBondContact O-CG 3.22Å; N164-L168 PolarHBondContact O-N 2.67Å; N164-T329 VanDerWaalsContact CG-OG1 3.23Å; N164-T329 PolarHBondContact ND2-OG1 2.77Å; N164-T329 WeakPolarHBondContact OD1-CB 3.41Å; N164-T329 PolarHBondContact OD1-OG1 3.14Å; N164-C330 PolarHBondContact OD1-N 2.78Å |
| 165 | V | 96.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -37.4 | 175.7 | 177.9 | 0 | 0 | 0 | 0 | 111 | E161 Y162 G167 L168 G169 P386 E389 | E161-V165 PolarHBondContact O-N 2.69Å; Y162-V165 PolarHBondContact O-N 2.61Å; V165-G167 VanDerWaalsContact C-N 3.32Å; V165-G167 PolarHBondContact O-N 3.1Å; V165-L168 PolarHBondContact O-N 2.84Å; V165-L168 VanDerWaalsContact O-N 3.16Å; V165-G169 PolarHBondContact O-N 3.16Å; V165-P386 HydrophobicContact CB-CB 4.22Å; V165-P386 HydrophobicContact CG1-CB 4.36Å; V165-P386 HydrophobicContact CG1-CG 4.44Å; V165-E389 HydrophobicContact CG2-CG 3.57Å |
| 166 | V | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.1 | -47.5 | 172.2 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | Y162 S163 N164 L168 G169 L170 I231 M232 V235 F332 P386 | Y162-V166 HydrophobicContact CD1-CG2 3.96Å; Y162-V166 HydrophobicContact CE1-CG2 3.64Å; Y162-V166 WeakPolarHBondContact O-CG2 3.28Å; Y162-V166 PolarHBondContact O-N 3.11Å; S163-V166 WeakPolarHBondContact O-CB 3.28Å; S163-V166 PolarHBondContact O-N 3.01Å; N164-V166 VanDerWaalsContact C-N 3.28Å; N164-V166 PolarHBondContact O-N 3.04Å; V166-L168 VanDerWaalsContact C-N 3.35Å; V166-L168 PolarHBondContact O-N 3.23Å; V166-G169 PolarHBondContact O-N 2.81Å; V166-G169 VanDerWaalsContact O-N 3.16Å; V166-L170 WeakPolarHBondContact O-CG 3.41Å; V166-L170 PolarHBondContact O-N 2.92Å; V166-I231 HydrophobicContact CG1-CG2 4.11Å; V166-M232 HydrophobicContact CG1-CG 4.38Å; V166-M232 HydrophobicContact CG2-CB 4.48Å; V166-M232 HydrophobicContact CG2-CG 4.13Å; V166-V235 HydrophobicContact CG1-CB 4.23Å; V166-V235 HydrophobicContact CG1-CG2 3.89Å; V166-V235 HydrophobicContact CG2-CB 4.35Å; V166-V235 HydrophobicContact CG2-CG1 4.35Å; V166-F332 HydrophobicContact CG1-CE2 4.13Å; V166-F332 HydrophobicContact CG1-CZ 3.63Å; V166-P386 HydrophobicContact CG2-CB 4.23Å; V166-P386 HydrophobicContact CG2-CG 3.48Å; V166-P386 VanDerWaalsContact CG2-CG 3.48Å |
| 167 | G | 97.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57 | -43.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S163 N164 V165 L170 M171 | S163-G167 PolarHBondContact O-N 2.74Å; N164-G167 PolarHBondContact O-N 2.9Å; N164-G167 VanDerWaalsContact O-N 3.16Å; V165-G167 VanDerWaalsContact C-N 3.32Å; V165-G167 PolarHBondContact O-N 3.1Å; G167-L170 PolarHBondContact O-N 3Å; G167-M171 PolarHBondContact O-N 3.18Å |
| 168 | L | 96.6 | Very high | 96.8 | Very high | 107 Ų | 107 | 32.4 Ų | 32.4 | 56% | 0.56 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -65.1 | -37.8 | 175.8 | -66.4 | 174.9 | 0 | 0 | 0 | 112.4 | N164 V165 V166 L170 M171 N172 | N164-L168 WeakPolarHBondContact O-CG 3.22Å; N164-L168 PolarHBondContact O-N 2.67Å; V165-L168 PolarHBondContact O-N 2.84Å; V165-L168 VanDerWaalsContact O-N 3.16Å; V166-L168 VanDerWaalsContact C-N 3.35Å; V166-L168 PolarHBondContact O-N 3.23Å; L168-L170 VanDerWaalsContact C-N 3.32Å; L168-L170 PolarHBondContact O-N 3.28Å; L168-M171 PolarHBondContact O-N 3.26Å; L168-M171 VanDerWaalsContact O-N 3.15Å; L168-N172 PolarHBondContact O-N 3.18Å; L168-N172 VanDerWaalsContact O-N 3.16Å |
| 169 | G | 97.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V165 V166 M171 N172 | V165-G169 PolarHBondContact O-N 3.16Å; V166-G169 PolarHBondContact O-N 2.81Å; V166-G169 VanDerWaalsContact O-N 3.16Å; G169-M171 PolarHBondContact O-N 2.84Å; G169-N172 WeakPolarHBondContact O-CB 3.13Å; G169-N172 PolarHBondContact O-N 2.93Å; G169-N172 VanDerWaalsContact O-N 3.1Å |
| 170 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -21.9 | 176.3 | -63.1 | 175.7 | 0 | 0 | 0 | 113.7 | V166 G167 L168 G177 S178 L182 V185 I231 V235 L249 | V166-L170 WeakPolarHBondContact O-CG 3.41Å; V166-L170 PolarHBondContact O-N 2.92Å; G167-L170 PolarHBondContact O-N 3Å; L168-L170 VanDerWaalsContact C-N 3.32Å; L168-L170 PolarHBondContact O-N 3.28Å; L170-G177 CarbonylContact O-C 3.42Å; L170-G177 WeakPolarHBondContact O-CA 3.24Å; L170-S178 PolarHBondContact O-N 3.15Å; L170-S178 VanDerWaalsContact O-O 3.11Å; L170-L182 HydrophobicContact CB-CB 4.29Å; L170-L182 HydrophobicContact CB-CD1 4.46Å; L170-L182 HydrophobicContact CD1-CD1 4.14Å; L170-V185 HydrophobicContact CD1-CB 4.2Å; L170-V185 HydrophobicContact CD1-CG1 4.11Å; L170-V185 HydrophobicContact CD1-CG2 4.03Å; L170-I231 HydrophobicContact CD1-CG2 4.08Å; L170-I231 HydrophobicContact CD2-CG2 4.34Å; L170-V235 HydrophobicContact CD2-CG2 3.97Å; L170-V235 HydrophobicContact CG-CG2 4.29Å; L170-L249 HydrophobicContact CD2-CD2 3.42Å; L170-L249 VanDerWaalsContact CD2-CD2 3.42Å; L170-L249 HydrophobicContact CD2-CG 4.38Å |
| 171 | M | 97.6 | Very high | 96.9 | Very high | 66 Ų | 66 | 41.1 Ų | 41.1 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -86.9 | -18.7 | 173.9 | -65.8 | 174.7 | 71.2 | 0 | 0 | 113.1 | G167 L168 G169 E173 E179 L182 | G167-M171 PolarHBondContact O-N 3.18Å; L168-M171 PolarHBondContact O-N 3.26Å; L168-M171 VanDerWaalsContact O-N 3.15Å; G169-M171 PolarHBondContact O-N 2.84Å; M171-E173 PolarHBondContact O-N 3.34Å; M171-E173 VanDerWaalsContact O-N 3.12Å; M171-E179 HydrophobicContact CE-CG 3.89Å; M171-L182 HydrophobicContact CG-CB 3.81Å; M171-L182 HydrophobicContact CG-CD2 3.48Å; M171-L182 VanDerWaalsContact CG-CD2 3.48Å; M171-L182 HydrophobicContact CG-CG 4.26Å; M171-L182 HydrophobicContact SD-CD2 3.36Å; M171-L182 WeakPolarHBondContact SD-CD2 3.18Å |
| 172 | N | 97.1 | Very high | 97 | Very high | 44 Ų | 44 | 38.7 Ų | 38.7 | 24% | 0.235 | 21% | 0.21 | C | C | . | . | trans | -76.4 | 104 | -168.8 | -176.7 | -4.9 | 0 | 0 | 0 | 111.8 | L168 G169 A174 V175 G177 | L168-N172 PolarHBondContact O-N 3.18Å; L168-N172 VanDerWaalsContact O-N 3.16Å; G169-N172 WeakPolarHBondContact O-CB 3.13Å; G169-N172 PolarHBondContact O-N 2.93Å; G169-N172 VanDerWaalsContact O-N 3.1Å; N172-A174 PolarHBondContact O-N 3.3Å; N172-A174 VanDerWaalsContact O-N 3.16Å; N172-A174 VanDerWaalsContact OD1-CB 3.27Å; N172-A174 WeakPolarHBondContact OD1-CB 3.04Å; N172-A174 PolarHBondContact OD1-N 2.91Å; N172-V175 HydrophobicContact CB-CG2 3.8Å; N172-V175 WeakPolarHBondContact O-CG2 3.21Å; N172-V175 PolarHBondContact O-N 3.5Å; N172-V175 VanDerWaalsContact O-N 3.1Å; N172-G177 WeakPolarHBondContact O-CA 3.44Å; N172-G177 PolarHBondContact O-N 3.48Å | ||
| 173 | E | 96.8 | Very high | 97 | Very high | 160 Ų | 160 | 41.1 Ų | 41.1 | 75% | 0.748 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -59.2 | -28.2 | -179.5 | -61.8 | -171.1 | 161.8 | 0 | 0 | 113.4 | M171 V175 G176 G177 | M171-E173 PolarHBondContact O-N 3.34Å; M171-E173 VanDerWaalsContact O-N 3.12Å; E173-V175 PolarHBondContact O-N 3.02Å; E173-G176 PolarHBondContact O-N 3.37Å; E173-G176 VanDerWaalsContact O-N 3.1Å; E173-G177 WeakPolarHBondContact CA-O 3.36Å |
| 174 | A | 94.9 | Very high | 97.1 | Very high | 56 Ų | 56 | 43.1 Ų | 43.1 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -61.3 | -31.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N172 D407 R422 | N172-A174 PolarHBondContact O-N 3.3Å; N172-A174 VanDerWaalsContact O-N 3.16Å; N172-A174 VanDerWaalsContact OD1-CB 3.27Å; N172-A174 WeakPolarHBondContact OD1-CB 3.04Å; N172-A174 PolarHBondContact OD1-N 2.91Å; A174-D407 HydrophobicContact CB-CB 4.21Å; A174-R422 PolarHBondContact O-NH1 2.98Å; A174-R422 PolarHBondContact O-NH2 3.19Å |
| 175 | V | 95.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -102.8 | 14.4 | 179 | -62.3 | 0 | 0 | 0 | 0 | 113.1 | N172 E173 I246 K247 V384 D407 | N172-V175 HydrophobicContact CB-CG2 3.8Å; N172-V175 WeakPolarHBondContact O-CG2 3.21Å; N172-V175 PolarHBondContact O-N 3.5Å; N172-V175 VanDerWaalsContact O-N 3.1Å; E173-V175 PolarHBondContact O-N 3.02Å; V175-I246 HydrophobicContact CB-CD1 4.22Å; V175-I246 HydrophobicContact CG2-CB 4.41Å; V175-I246 HydrophobicContact CG2-CD1 3.68Å; V175-I246 HydrophobicContact CG2-CG2 4.1Å; V175-K247 PolarHBondContact O-N 2.99Å; V175-V384 HydrophobicContact CG1-CG1 4.1Å; V175-V384 HydrophobicContact CG2-CG1 4.09Å; V175-D407 HydrophobicContact CG1-CB 3.97Å |
| 176 | G | 96 | Very high | 97.3 | Very high | 29 Ų | 29 | 46 Ų | 46 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 12 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E173 C250 | E173-G176 PolarHBondContact O-N 3.37Å; E173-G176 VanDerWaalsContact O-N 3.1Å; G176-C250 WeakPolarHBondContact O-CB 3.39Å |
| 177 | G | 97.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 7% | 0.072 | 26% | 0.263 | C | S | . | . | trans | -75.2 | 175.5 | 171 | 0 | 0 | 0 | 0 | 0 | 113.7 | L170 N172 E173 | L170-G177 CarbonylContact O-C 3.42Å; L170-G177 WeakPolarHBondContact O-CA 3.24Å; N172-G177 WeakPolarHBondContact O-CA 3.44Å; N172-G177 PolarHBondContact O-N 3.48Å; E173-G177 WeakPolarHBondContact CA-O 3.36Å | ||
| 178 | S | 98.1 | Very high | 97.3 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | trans | -166.6 | 158.4 | 168.5 | 57 | 0 | 0 | 0 | 0 | 110.7 | L170 K180 C181 L182 | L170-S178 PolarHBondContact O-N 3.15Å; L170-S178 VanDerWaalsContact O-O 3.11Å; S178-K180 PolarHBondContact O-N 2.91Å; S178-C181 WeakPolarHBondContact O-CA 2.98Å; S178-C181 VanDerWaalsContact O-CB 3.29Å; S178-C181 WeakPolarHBondContact O-CB 3.27Å; S178-C181 PolarHBondContact O-N 2.77Å; S178-C181 WeakPolarHBondContact OG-CB 3.43Å; S178-C181 PolarHBondContact OG-N 2.99Å; S178-C181 VanDerWaalsContact OG-N 3.15Å; S178-L182 PolarHBondContact O-N 3.27Å | ||
| 179 | E | 97.8 | Very high | 97.4 | Very high | 147 Ų | 147 | 44.3 Ų | 44.3 | 69% | 0.687 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -54.9 | -37.6 | 173.2 | -57.4 | -168.8 | 158.4 | 0 | 0 | 112.2 | M171 C181 L182 A183 | M171-E179 HydrophobicContact CE-CG 3.89Å; E179-C181 VanDerWaalsContact C-N 3.31Å; E179-C181 PolarHBondContact O-N 2.59Å; E179-L182 PolarHBondContact O-N 3.27Å; E179-A183 WeakPolarHBondContact O-CB 3.44Å; E179-A183 PolarHBondContact O-N 3.4Å |
| 180 | K | 97.5 | Very high | 97.4 | Very high | 106 Ų | 106 | 48.9 Ų | 48.9 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.4 | -35.8 | 176.1 | -172 | -174.8 | 178 | -167.2 | 0 | 112.3 | S178 K184 T254 | S178-K180 PolarHBondContact O-N 2.91Å; K180-K184 WeakPolarHBondContact O-CB 3.35Å; K180-K184 VanDerWaalsContact O-CG 3.32Å; K180-K184 WeakPolarHBondContact O-CG 3.39Å; K180-K184 PolarHBondContact O-N 3.36Å; K180-T254 HydrophobicContact CB-CG2 4.31Å; K180-T254 HydrophobicContact CD-CG2 4.21Å; K180-T254 HydrophobicContact CG-CG2 4.1Å; K180-T254 PolarHBondContact NZ-O 3.39Å |
| 181 | C | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64 | -53 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | S178 E179 A183 K184 V185 C250 T254 | S178-C181 WeakPolarHBondContact O-CA 2.98Å; S178-C181 VanDerWaalsContact O-CB 3.29Å; S178-C181 WeakPolarHBondContact O-CB 3.27Å; S178-C181 PolarHBondContact O-N 2.77Å; S178-C181 WeakPolarHBondContact OG-CB 3.43Å; S178-C181 PolarHBondContact OG-N 2.99Å; S178-C181 VanDerWaalsContact OG-N 3.15Å; E179-C181 VanDerWaalsContact C-N 3.31Å; E179-C181 PolarHBondContact O-N 2.59Å; C181-A183 VanDerWaalsContact C-N 3.31Å; C181-A183 PolarHBondContact O-N 3.42Å; C181-K184 PolarHBondContact O-N 3.27Å; C181-K184 VanDerWaalsContact O-N 3.08Å; C181-V185 PolarHBondContact O-N 2.04Å; C181-C250 HydrophobicContact CB-CB 3.64Å; C181-C250 WeakPolarHBondContact CB-SG 3.32Å; C181-C250 WeakPolarHBondContact SG-CA 3.46Å; C181-C250 WeakPolarHBondContact SG-CB 3.47Å; C181-C250 CovalentContact SG-SG 2.04Å; C181-C250 PolarHBondContact SG-SG 3.39Å; C181-T254 HydrophobicContact CB-CG2 3.94Å |
| 182 | L | 98.2 | Very high | 97.3 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.3 | -45.8 | 176.6 | 176.4 | 61.9 | 0 | 0 | 0 | 111.7 | L170 M171 S178 E179 K184 V185 R186 P331 | L170-L182 HydrophobicContact CB-CB 4.29Å; L170-L182 HydrophobicContact CB-CD1 4.46Å; L170-L182 HydrophobicContact CD1-CD1 4.14Å; M171-L182 HydrophobicContact CG-CB 3.81Å; M171-L182 HydrophobicContact CG-CD2 3.48Å; M171-L182 VanDerWaalsContact CG-CD2 3.48Å; M171-L182 HydrophobicContact CG-CG 4.26Å; M171-L182 HydrophobicContact SD-CD2 3.36Å; M171-L182 WeakPolarHBondContact SD-CD2 3.18Å; S178-L182 PolarHBondContact O-N 3.27Å; E179-L182 PolarHBondContact O-N 3.27Å; L182-K184 VanDerWaalsContact C-N 3.27Å; L182-K184 PolarHBondContact O-N 3.04Å; L182-V185 PolarHBondContact O-N 3.13Å; L182-R186 HydrophobicContact CD1-CG 4.41Å; L182-R186 PolarHBondContact O-N 3.44Å; L182-P331 HydrophobicContact CD1-CB 3.67Å |
| 183 | A | 97.6 | Very high | 97.2 | Very high | 54 Ų | 54 | 49 Ų | 49 | 45% | 0.446 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E179 C181 E187 | E179-A183 WeakPolarHBondContact O-CB 3.44Å; E179-A183 PolarHBondContact O-N 3.4Å; C181-A183 VanDerWaalsContact C-N 3.31Å; C181-A183 PolarHBondContact O-N 3.42Å; A183-E187 WeakPolarHBondContact O-CB 3.38Å; A183-E187 PolarHBondContact O-N 2.9Å |
| 184 | K | 97.7 | Very high | 97.1 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 19% | 0.191 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.1 | -32.7 | 177.5 | -73.2 | -70.8 | 168.1 | -161.7 | 0 | 113.2 | K180 C181 L182 E187 A188 M253 A265 | K180-K184 WeakPolarHBondContact O-CB 3.35Å; K180-K184 VanDerWaalsContact O-CG 3.32Å; K180-K184 WeakPolarHBondContact O-CG 3.39Å; K180-K184 PolarHBondContact O-N 3.36Å; C181-K184 PolarHBondContact O-N 3.27Å; C181-K184 VanDerWaalsContact O-N 3.08Å; L182-K184 VanDerWaalsContact C-N 3.27Å; L182-K184 PolarHBondContact O-N 3.04Å; K184-E187 WeakPolarHBondContact CD-OE2 3.32Å; K184-E187 WeakPolarHBondContact CE-OE2 3.42Å; K184-E187 IonicContact NZ-OE1 2.77Å; K184-E187 PolarHBondContact NZ-OE1 2.64Å; K184-E187 IonicContact NZ-OE2 3.81Å; K184-E187 PolarHBondContact NZ-OE2 2.79Å; K184-A188 WeakPolarHBondContact O-CB 3.26Å; K184-A188 PolarHBondContact O-N 3.07Å; K184-M253 HydrophobicContact CB-CB 4.28Å; K184-M253 HydrophobicContact CB-CE 4.14Å; K184-M253 VanDerWaalsContact O-CE 3.32Å; K184-M253 WeakPolarHBondContact O-CE 3.21Å; K184-A265 HydrophobicContact CD-CB 4.12Å; K184-A265 WeakPolarHBondContact O-CB 3.36Å |
| 185 | V | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -50.1 | 171.5 | 169 | 0 | 0 | 0 | 0 | 110.3 | L170 C181 L182 E187 A188 F189 I231 M253 F332 | L170-V185 HydrophobicContact CD1-CB 4.2Å; L170-V185 HydrophobicContact CD1-CG1 4.11Å; L170-V185 HydrophobicContact CD1-CG2 4.03Å; C181-V185 PolarHBondContact O-N 2.04Å; L182-V185 PolarHBondContact O-N 3.13Å; V185-E187 VanDerWaalsContact C-N 3.34Å; V185-E187 PolarHBondContact O-N 2.85Å; V185-A188 WeakPolarHBondContact O-CB 3.24Å; V185-A188 PolarHBondContact O-N 2.79Å; V185-F189 HydrophobicContact CG1-CD2 4.21Å; V185-F189 HydrophobicContact CG1-CE2 4.26Å; V185-F189 WeakPolarHBondContact O-CD2 3.47Å; V185-F189 PolarHBondContact O-N 3.07Å; V185-F189 VanDerWaalsContact O-N 3.14Å; V185-I231 HydrophobicContact CB-CD1 4.46Å; V185-I231 HydrophobicContact CG1-CD1 3.54Å; V185-I231 HydrophobicContact CG2-CD1 4.08Å; V185-M253 HydrophobicContact CG2-CE 4.19Å; V185-M253 HydrophobicContact CG2-CG 4.15Å; V185-F332 HydrophobicContact CG1-CE1 4.27Å |
| 186 | R | 97.8 | Very high | 97.2 | Very high | 105 Ų | 105 | 41.8 Ų | 41.8 | 40% | 0.396 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.3 | -48.2 | 175.5 | -76.6 | 178.1 | 170.6 | 159.3 | -0.5 | 112.3 | L182 A188 F189 V190 T329 P331 | L182-R186 HydrophobicContact CD1-CG 4.41Å; L182-R186 PolarHBondContact O-N 3.44Å; R186-A188 VanDerWaalsContact C-N 3.27Å; R186-A188 PolarHBondContact O-N 2.93Å; R186-F189 PolarHBondContact O-N 2.99Å; R186-V190 WeakPolarHBondContact O-CG2 3.46Å; R186-V190 PolarHBondContact O-N 2.8Å; R186-V190 VanDerWaalsContact O-N 3.1Å; R186-T329 PolarHBondContact NH2-O 3.19Å; R186-P331 HydrophobicContact CG-CB 4.14Å |
| 187 | E | 97.4 | Very high | 97.1 | Very high | 73 Ų | 73 | 46.3 Ų | 46.3 | 34% | 0.341 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.1 | -38.4 | 176.9 | -173.4 | -171.6 | 150 | 0 | 0 | 112 | A183 K184 V185 L191 A265 | A183-E187 WeakPolarHBondContact O-CB 3.38Å; A183-E187 PolarHBondContact O-N 2.9Å; K184-E187 WeakPolarHBondContact CD-OE2 3.32Å; K184-E187 WeakPolarHBondContact CE-OE2 3.42Å; K184-E187 IonicContact NZ-OE1 2.77Å; K184-E187 PolarHBondContact NZ-OE1 2.64Å; K184-E187 IonicContact NZ-OE2 3.81Å; K184-E187 PolarHBondContact NZ-OE2 2.79Å; V185-E187 VanDerWaalsContact C-N 3.34Å; V185-E187 PolarHBondContact O-N 2.85Å; E187-L191 HydrophobicContact CG-CD1 4.06Å; E187-L191 WeakPolarHBondContact O-CB 3.37Å; E187-L191 WeakPolarHBondContact O-CG 3.39Å; E187-L191 PolarHBondContact O-N 3.43Å; E187-A265 HydrophobicContact CB-CB 3.76Å; E187-A265 HydrophobicContact CG-CB 3.67Å |
| 188 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | K184 V185 R186 V190 L191 V192 M253 A265 Y269 | K184-A188 WeakPolarHBondContact O-CB 3.26Å; K184-A188 PolarHBondContact O-N 3.07Å; V185-A188 WeakPolarHBondContact O-CB 3.24Å; V185-A188 PolarHBondContact O-N 2.79Å; R186-A188 VanDerWaalsContact C-N 3.27Å; R186-A188 PolarHBondContact O-N 2.93Å; A188-V190 PolarHBondContact O-N 2.97Å; A188-L191 PolarHBondContact O-N 3.37Å; A188-V192 WeakPolarHBondContact O-CG2 3.06Å; A188-V192 PolarHBondContact O-N 3.4Å; A188-M253 HydrophobicContact CB-CE 3.99Å; A188-A265 HydrophobicContact CB-CB 4.05Å; A188-Y269 HydrophobicContact CB-CD1 4.16Å; A188-Y269 HydrophobicContact CB-CG 4.12Å |
| 189 | F | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 179.2 | -84.9 | -100.3 | 0 | 0 | 0 | 112 | V185 R186 L191 V192 E193 M224 L227 A228 I231 Y269 F332 | V185-F189 HydrophobicContact CG1-CD2 4.21Å; V185-F189 HydrophobicContact CG1-CE2 4.26Å; V185-F189 WeakPolarHBondContact O-CD2 3.47Å; V185-F189 PolarHBondContact O-N 3.07Å; V185-F189 VanDerWaalsContact O-N 3.14Å; R186-F189 PolarHBondContact O-N 2.99Å; F189-L191 VanDerWaalsContact C-N 3.31Å; F189-L191 PolarHBondContact O-N 3.21Å; F189-V192 PolarHBondContact O-N 3.16Å; F189-E193 WeakPolarHBondContact O-CB 3.25Å; F189-E193 PolarHBondContact O-N 2.85Å; F189-M224 HydrophobicContact CD1-CE 3.57Å; F189-M224 HydrophobicContact CE1-CE 4.2Å; F189-M224 HydrophobicContact CG-CE 4.45Å; F189-L227 HydrophobicContact CE1-CB 4.06Å; F189-L227 HydrophobicContact CZ-CB 3.99Å; F189-A228 HydrophobicContact CE1-CB 4.19Å; F189-A228 HydrophobicContact CZ-CB 4.32Å; F189-I231 HydrophobicContact CE2-CD1 3.74Å; F189-I231 HydrophobicContact CZ-CD1 4.4Å; F189-Y269 HydrophobicContact CE2-CD1 4.46Å; F189-Y269 AromaticContact CE2-CE1 3.85Å; F189-Y269 HydrophobicContact CE2-CE1 3.85Å; F189-Y269 AromaticContact CE2-CZ 3.97Å; F189-Y269 HydrophobicContact CZ-CE1 4.05Å; F189-F332 HydrophobicContact CD1-CB 3.86Å; F189-F332 HydrophobicContact CD1-CD1 4.28Å; F189-F332 HydrophobicContact CD2-CD1 4.02Å; F189-F332 HydrophobicContact CE1-CB 3.9Å; F189-F332 AromaticContact CE1-CD1 3.89Å; F189-F332 HydrophobicContact CE1-CD1 3.89Å; F189-F332 HydrophobicContact CE1-CG 4.27Å; F189-F332 AromaticContact CE2-CD1 3.63Å; F189-F332 HydrophobicContact CE2-CD1 3.63Å; F189-F332 HydrophobicContact CE2-CE1 4.15Å; F189-F332 HydrophobicContact CG-CB 4.36Å; F189-F332 HydrophobicContact CG-CD1 4.35Å; F189-F332 HydrophobicContact CZ-CB 4.44Å; F189-F332 AromaticContact CZ-CD1 3.55Å; F189-F332 HydrophobicContact CZ-CD1 3.55Å; F189-F332 HydrophobicContact CZ-CE1 4.18Å; F189-F332 HydrophobicContact CZ-CG 4.35Å |
| 190 | V | 96.3 | Very high | 96.8 | Very high | 97 Ų | 97 | 49 Ų | 49 | 59% | 0.588 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -58.7 | -42.5 | 173.9 | 171 | 0 | 0 | 0 | 0 | 111.5 | R186 A188 A194 | R186-V190 WeakPolarHBondContact O-CG2 3.46Å; R186-V190 PolarHBondContact O-N 2.8Å; R186-V190 VanDerWaalsContact O-N 3.1Å; A188-V190 PolarHBondContact O-N 2.97Å; V190-A194 WeakPolarHBondContact O-CB 3.41Å; V190-A194 PolarHBondContact O-N 3.12Å |
| 191 | L | 97 | Very high | 96.7 | Very high | 56 Ų | 56 | 46.5 Ų | 46.5 | 29% | 0.293 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70.2 | -36.4 | 179.4 | -71 | 170.3 | 0 | 0 | 0 | 112.7 | E187 A188 F189 T195 A265 Y266 | E187-L191 HydrophobicContact CG-CD1 4.06Å; E187-L191 WeakPolarHBondContact O-CB 3.37Å; E187-L191 WeakPolarHBondContact O-CG 3.39Å; E187-L191 PolarHBondContact O-N 3.43Å; A188-L191 PolarHBondContact O-N 3.37Å; F189-L191 VanDerWaalsContact C-N 3.31Å; F189-L191 PolarHBondContact O-N 3.21Å; L191-T195 WeakPolarHBondContact O-CB 3.37Å; L191-T195 PolarHBondContact O-N 2.93Å; L191-T195 PolarHBondContact O-OG1 2.88Å; L191-A265 HydrophobicContact CD1-CB 4.22Å; L191-Y266 HydrophobicContact CB-CD2 4.24Å |
| 192 | V | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.7 | -48.8 | 174.2 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | A188 F189 A194 T195 L196 V204 F208 M224 L227 Y266 | A188-V192 WeakPolarHBondContact O-CG2 3.06Å; A188-V192 PolarHBondContact O-N 3.4Å; F189-V192 PolarHBondContact O-N 3.16Å; V192-A194 PolarHBondContact O-N 2.54Å; V192-T195 WeakPolarHBondContact O-CB 3.23Å; V192-T195 PolarHBondContact O-N 2.79Å; V192-T195 VanDerWaalsContact O-N 3.15Å; V192-L196 HydrophobicContact CG1-CD1 4.36Å; V192-L196 WeakPolarHBondContact O-CG 3.39Å; V192-L196 PolarHBondContact O-N 2.81Å; V192-V204 HydrophobicContact CG1-CG1 4.18Å; V192-F208 HydrophobicContact CG1-CE2 4.46Å; V192-F208 HydrophobicContact CG2-CE2 3.72Å; V192-F208 HydrophobicContact CG2-CZ 3.6Å; V192-M224 HydrophobicContact CB-CE 4.34Å; V192-M224 HydrophobicContact CB-SD 4.43Å; V192-M224 HydrophobicContact CG1-CE 4.17Å; V192-M224 HydrophobicContact CG1-SD 3.63Å; V192-L227 HydrophobicContact CG1-CD1 4.12Å; V192-Y266 HydrophobicContact CB-CE2 4.44Å; V192-Y266 HydrophobicContact CG2-CD2 3.67Å; V192-Y266 HydrophobicContact CG2-CE2 3.77Å |
| 193 | E | 95.3 | Very high | 96.5 | Very high | 56 Ų | 56 | 56.1 Ų | 56.1 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 179.1 | -171.1 | 173.9 | 151.6 | 0 | 0 | 111.9 | F189 T195 L196 L197 S333 M335 | F189-E193 WeakPolarHBondContact O-CB 3.25Å; F189-E193 PolarHBondContact O-N 2.85Å; E193-T195 VanDerWaalsContact C-N 3.27Å; E193-T195 PolarHBondContact O-N 2.93Å; E193-L196 WeakPolarHBondContact O-CB 3.3Å; E193-L196 PolarHBondContact O-N 3.05Å; E193-L196 VanDerWaalsContact O-N 3.11Å; E193-L197 HydrophobicContact CG-CD1 4.36Å; E193-L197 WeakPolarHBondContact O-CG 3.41Å; E193-L197 PolarHBondContact O-N 2.97Å; E193-S333 WeakPolarHBondContact OE2-CB 3.36Å; E193-S333 PolarHBondContact OE2-OG 3.25Å; E193-M335 HydrophobicContact CG-SD 4.31Å |
| 194 | A | 95.7 | Very high | 96.5 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 33% | 0.331 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V190 V192 L196 L197 D198 | V190-A194 WeakPolarHBondContact O-CB 3.41Å; V190-A194 PolarHBondContact O-N 3.12Å; V192-A194 PolarHBondContact O-N 2.54Å; A194-L196 VanDerWaalsContact C-N 3.33Å; A194-L196 PolarHBondContact O-N 3.23Å; A194-L197 PolarHBondContact O-N 3.29Å; A194-D198 PolarHBondContact O-N 3.4Å |
| 195 | T | 96 | Very high | 96.5 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 177.7 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | L191 V192 E193 N200 V204 | L191-T195 WeakPolarHBondContact O-CB 3.37Å; L191-T195 PolarHBondContact O-N 2.93Å; L191-T195 PolarHBondContact O-OG1 2.88Å; V192-T195 WeakPolarHBondContact O-CB 3.23Å; V192-T195 PolarHBondContact O-N 2.79Å; V192-T195 VanDerWaalsContact O-N 3.15Å; E193-T195 VanDerWaalsContact C-N 3.27Å; E193-T195 PolarHBondContact O-N 2.93Å; T195-N200 HydrophobicContact CG2-CB 3.67Å; T195-N200 WeakPolarHBondContact O-CB 3.28Å; T195-N200 PolarHBondContact O-N 2.91Å; T195-N200 VanDerWaalsContact O-N 3.13Å; T195-V204 HydrophobicContact CG2-CG2 3.5Å |
| 196 | L | 95.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 173.2 | -67.8 | 171.6 | 0 | 0 | 0 | 111.3 | V192 E193 A194 D198 G199 F201 V204 P214 Q220 L223 M224 | V192-L196 HydrophobicContact CG1-CD1 4.36Å; V192-L196 WeakPolarHBondContact O-CG 3.39Å; V192-L196 PolarHBondContact O-N 2.81Å; E193-L196 WeakPolarHBondContact O-CB 3.3Å; E193-L196 PolarHBondContact O-N 3.05Å; E193-L196 VanDerWaalsContact O-N 3.11Å; A194-L196 VanDerWaalsContact C-N 3.33Å; A194-L196 PolarHBondContact O-N 3.23Å; L196-D198 VanDerWaalsContact C-N 3.27Å; L196-D198 PolarHBondContact O-N 2.86Å; L196-G199 WeakPolarHBondContact O-CA 3.43Å; L196-G199 PolarHBondContact O-N 2.82Å; L196-F201 HydrophobicContact CB-CE1 4.47Å; L196-F201 HydrophobicContact CD2-CD1 3.82Å; L196-F201 HydrophobicContact CD2-CE1 4.44Å; L196-F201 WeakPolarHBondContact O-CE1 3.38Å; L196-V204 HydrophobicContact CD2-CB 4.05Å; L196-V204 HydrophobicContact CD2-CG1 4.09Å; L196-V204 HydrophobicContact CD2-CG2 3.92Å; L196-V204 HydrophobicContact CG-CG2 4.27Å; L196-P214 HydrophobicContact CD2-CG 4.29Å; L196-Q220 HydrophobicContact CD1-CB 4.5Å; L196-Q220 HydrophobicContact CD2-CG 4.47Å; L196-L223 HydrophobicContact CD1-CD2 4.14Å; L196-L223 HydrophobicContact CD2-CD2 4.24Å; L196-M224 HydrophobicContact CD1-CG 4.45Å; L196-M224 HydrophobicContact CD1-SD 4Å |
| 197 | L | 94.2 | Very high | 96.3 | Very high | 123 Ų | 123 | 51.4 Ų | 51.4 | 64% | 0.644 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.8 | -32.8 | 178.1 | -70 | 173.7 | 0 | 0 | 0 | 112.8 | E193 A194 G199 | E193-L197 HydrophobicContact CG-CD1 4.36Å; E193-L197 WeakPolarHBondContact O-CG 3.41Å; E193-L197 PolarHBondContact O-N 2.97Å; A194-L197 PolarHBondContact O-N 3.29Å; L197-G199 PolarHBondContact O-N 2.71Å |
| 198 | D | 95.5 | Very high | 96.2 | Very high | 124 Ų | 124 | 48 Ų | 48 | 66% | 0.663 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -0.5 | 172.7 | -72.7 | -17.4 | 0 | 0 | 0 | 113.4 | A194 L196 N200 | A194-D198 PolarHBondContact O-N 3.4Å; L196-D198 VanDerWaalsContact C-N 3.27Å; L196-D198 PolarHBondContact O-N 2.86Å; D198-N200 VanDerWaalsContact C-N 3.34Å; D198-N200 WeakPolarHBondContact CB-ND2 3.39Å |
| 199 | G | 94.9 | Very high | 96.1 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 40% | 0.402 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 11.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L196 L197 F201 | L196-G199 WeakPolarHBondContact O-CA 3.43Å; L196-G199 PolarHBondContact O-N 2.82Å; L197-G199 PolarHBondContact O-N 2.71Å; G199-F201 PolarHBondContact O-N 2.94Å |
| 200 | N | 96.3 | Very high | 96.1 | Very high | 76 Ų | 76 | 50 Ų | 50 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | trans | -83.3 | 44.5 | -176.3 | -66.7 | -55.8 | 0 | 0 | 0 | 113 | T195 D198 T202 K203 V204 | T195-N200 HydrophobicContact CG2-CB 3.67Å; T195-N200 WeakPolarHBondContact O-CB 3.28Å; T195-N200 PolarHBondContact O-N 2.91Å; T195-N200 VanDerWaalsContact O-N 3.13Å; D198-N200 VanDerWaalsContact C-N 3.34Å; D198-N200 WeakPolarHBondContact CB-ND2 3.39Å; N200-T202 PolarHBondContact O-N 3.24Å; N200-K203 HydrophobicContact CB-CB 4.27Å; N200-K203 WeakPolarHBondContact O-CB 3.46Å; N200-K203 PolarHBondContact O-N 3.19Å; N200-K203 VanDerWaalsContact O-N 3.14Å; N200-V204 PolarHBondContact O-N 2.59Å | ||
| 201 | F | 96.5 | Very high | 96 | Very high | 53 Ų | 53 | 48.2 Ų | 48.2 | 23% | 0.232 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.1 | -43.5 | -172.9 | -48.4 | -55.9 | 0 | 0 | 0 | 113.6 | L196 G199 K203 V204 A205 T213 | L196-F201 HydrophobicContact CB-CE1 4.47Å; L196-F201 HydrophobicContact CD2-CD1 3.82Å; L196-F201 HydrophobicContact CD2-CE1 4.44Å; L196-F201 WeakPolarHBondContact O-CE1 3.38Å; G199-F201 PolarHBondContact O-N 2.94Å; F201-K203 VanDerWaalsContact C-N 3.25Å; F201-K203 PolarHBondContact O-N 2.84Å; F201-V204 PolarHBondContact O-N 2.99Å; F201-A205 WeakPolarHBondContact O-CB 3.27Å; F201-A205 PolarHBondContact O-N 3.27Å; F201-T213 HydrophobicContact CB-CG2 3.48Å; F201-T213 VanDerWaalsContact CB-CG2 3.48Å |
| 202 | T | 97 | Very high | 95.9 | Very high | 106 Ų | 106 | 48.9 Ų | 48.9 | 65% | 0.65 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.9 | -33.6 | -179.8 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | N200 G206 | N200-T202 PolarHBondContact O-N 3.24Å; T202-G206 PolarHBondContact O-N 3.45Å |
| 203 | K | 95.4 | Very high | 95.9 | Very high | 104 Ų | 104 | 50.6 Ų | 50.6 | 45% | 0.452 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.3 | -50.4 | 175.7 | 173.3 | 173.8 | 172 | 47.3 | 0 | 110.6 | N200 F201 A205 G206 D207 | N200-K203 HydrophobicContact CB-CB 4.27Å; N200-K203 WeakPolarHBondContact O-CB 3.46Å; N200-K203 PolarHBondContact O-N 3.19Å; N200-K203 VanDerWaalsContact O-N 3.14Å; F201-K203 VanDerWaalsContact C-N 3.25Å; F201-K203 PolarHBondContact O-N 2.84Å; K203-A205 VanDerWaalsContact C-N 3.31Å; K203-A205 PolarHBondContact O-N 2.91Å; K203-G206 PolarHBondContact O-N 3.18Å; K203-D207 WeakPolarHBondContact CG-OD2 3.48Å; K203-D207 IonicContact NZ-OD1 2.82Å; K203-D207 IonicContact NZ-OD2 2.97Å; K203-D207 PolarHBondContact NZ-OD2 2.66Å; K203-D207 VanDerWaalsContact O-CB 3.26Å; K203-D207 WeakPolarHBondContact O-CB 3.07Å; K203-D207 VanDerWaalsContact O-CG 3.22Å; K203-D207 PolarHBondContact O-N 2.83Å |
| 204 | V | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 179.3 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | V192 T195 L196 N200 F201 G206 D207 F208 L223 | V192-V204 HydrophobicContact CG1-CG1 4.18Å; T195-V204 HydrophobicContact CG2-CG2 3.5Å; L196-V204 HydrophobicContact CD2-CB 4.05Å; L196-V204 HydrophobicContact CD2-CG1 4.09Å; L196-V204 HydrophobicContact CD2-CG2 3.92Å; L196-V204 HydrophobicContact CG-CG2 4.27Å; N200-V204 PolarHBondContact O-N 2.59Å; F201-V204 PolarHBondContact O-N 2.99Å; V204-G206 PolarHBondContact O-N 2.88Å; V204-D207 PolarHBondContact O-N 3.17Å; V204-F208 HydrophobicContact CG1-CD2 3.85Å; V204-F208 HydrophobicContact CG1-CE2 4.28Å; V204-F208 WeakPolarHBondContact O-CD2 3.43Å; V204-F208 PolarHBondContact O-N 3.07Å; V204-L223 HydrophobicContact CG1-CD2 3.49Å; V204-L223 VanDerWaalsContact CG1-CD2 3.49Å |
| 205 | A | 97.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F201 K203 G209 C210 | F201-A205 WeakPolarHBondContact O-CB 3.27Å; F201-A205 PolarHBondContact O-N 3.27Å; K203-A205 VanDerWaalsContact C-N 3.31Å; K203-A205 PolarHBondContact O-N 2.91Å; A205-G209 PolarHBondContact O-N 2.94Å; A205-G209 VanDerWaalsContact O-N 3.08Å; A205-C210 HydrophobicContact CB-CB 4.07Å; A205-C210 PolarHBondContact O-N 2.9Å |
| 206 | G | 96.8 | Very high | 95.5 | Very high | 58 Ų | 58 | 55.2 Ų | 55.2 | 60% | 0.598 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.6 | -40 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T202 K203 V204 | T202-G206 PolarHBondContact O-N 3.45Å; K203-G206 PolarHBondContact O-N 3.18Å; V204-G206 PolarHBondContact O-N 2.88Å |
| 207 | D | 95.6 | Very high | 95.4 | Very high | 40 Ų | 40 | 59.8 Ų | 59.8 | 21% | 0.214 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.1 | -45 | -179.2 | -78.8 | -18.2 | 0 | 0 | 0 | 111.3 | K203 V204 Y266 N270 Q274 | K203-D207 WeakPolarHBondContact CG-OD2 3.48Å; K203-D207 IonicContact NZ-OD1 2.82Å; K203-D207 IonicContact NZ-OD2 2.97Å; K203-D207 PolarHBondContact NZ-OD2 2.66Å; K203-D207 VanDerWaalsContact O-CB 3.26Å; K203-D207 WeakPolarHBondContact O-CB 3.07Å; K203-D207 VanDerWaalsContact O-CG 3.22Å; K203-D207 PolarHBondContact O-N 2.83Å; V204-D207 PolarHBondContact O-N 3.17Å; D207-Y266 HydrophobicContact CB-CE1 4.18Å; D207-Y266 WeakPolarHBondContact CB-OH 3.48Å; D207-Y266 WeakPolarHBondContact OD2-CE1 3.31Å; D207-Y266 PolarHBondContact OD2-OH 2.88Å; D207-N270 VanDerWaalsContact C-ND2 3.27Å; D207-N270 WeakPolarHBondContact CA-ND2 3.3Å; D207-N270 VanDerWaalsContact CB-ND2 3.29Å; D207-N270 WeakPolarHBondContact CB-ND2 3.33Å; D207-N270 PolarHBondContact O-ND2 3.07Å; D207-N270 PolarHBondContact O-OD1 2.78Å; D207-Q274 PolarHBondContact O-NE2 3.25Å |
| 208 | F | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 7.1 | -178.2 | -69.2 | -81.8 | 0 | 0 | 0 | 114.4 | V192 V204 C210 L227 Y266 Y269 N270 V273 | V192-F208 HydrophobicContact CG1-CE2 4.46Å; V192-F208 HydrophobicContact CG2-CE2 3.72Å; V192-F208 HydrophobicContact CG2-CZ 3.6Å; V204-F208 HydrophobicContact CG1-CD2 3.85Å; V204-F208 HydrophobicContact CG1-CE2 4.28Å; V204-F208 WeakPolarHBondContact O-CD2 3.43Å; V204-F208 PolarHBondContact O-N 3.07Å; F208-C210 PolarHBondContact O-N 3.37Å; F208-L227 HydrophobicContact CB-CD2 4.47Å; F208-L227 HydrophobicContact CD1-CD1 4.44Å; F208-L227 HydrophobicContact CD1-CD2 3.54Å; F208-L227 HydrophobicContact CE1-CD1 4.44Å; F208-L227 HydrophobicContact CE1-CD2 3.96Å; F208-L227 HydrophobicContact CG-CD2 4.1Å; F208-Y266 HydrophobicContact CE2-CD2 4.45Å; F208-Y266 HydrophobicContact CE2-CE1 4.37Å; F208-Y266 AromaticContact CE2-CE2 3.75Å; F208-Y266 HydrophobicContact CE2-CE2 3.75Å; F208-Y266 AromaticContact CE2-CZ 3.7Å; F208-Y266 HydrophobicContact CZ-CE2 4.3Å; F208-Y269 AromaticContact CE1-CD1 3.69Å; F208-Y269 HydrophobicContact CE1-CD1 3.69Å; F208-Y269 AromaticContact CE1-CE1 3.92Å; F208-Y269 HydrophobicContact CE1-CE1 3.92Å; F208-Y269 HydrophobicContact CE1-CG 4.4Å; F208-Y269 AromaticContact CZ-CD1 4Å; F208-Y269 HydrophobicContact CZ-CD1 4Å; F208-Y269 HydrophobicContact CZ-CE1 4.45Å; F208-N270 HydrophobicContact CE1-CB 4.11Å; F208-N270 HydrophobicContact CZ-CB 4.29Å; F208-V273 HydrophobicContact CD1-CB 4.06Å; F208-V273 HydrophobicContact CD1-CG1 4.07Å; F208-V273 HydrophobicContact CD1-CG2 3.94Å; F208-V273 HydrophobicContact CE1-CG2 4.09Å |
| 209 | G | 95.3 | Very high | 95.4 | Very high | 26 Ų | 26 | 51.3 Ų | 51.3 | 27% | 0.268 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 36.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A205 C284 L285 | A205-G209 PolarHBondContact O-N 2.94Å; A205-G209 VanDerWaalsContact O-N 3.08Å; G209-C284 CarbonylContact O-C 3.59Å; G209-C284 VanDerWaalsContact O-CA 3.29Å; G209-C284 WeakPolarHBondContact O-CA 3.42Å; G209-C284 VanDerWaalsContact O-CB 3.24Å; G209-C284 WeakPolarHBondContact O-CB 3.44Å; G209-L285 PolarHBondContact O-N 3.2Å |
| 210 | C | 96.4 | Very high | 95.4 | Very high | 18 Ų | 18 | 50.5 Ų | 50.5 | 12% | 0.122 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -70.4 | 143.9 | -179.8 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | A205 F208 Q212 L285 V287 | A205-C210 HydrophobicContact CB-CB 4.07Å; A205-C210 PolarHBondContact O-N 2.9Å; F208-C210 PolarHBondContact O-N 3.37Å; C210-Q212 WeakPolarHBondContact CB-O 3.46Å; C210-Q212 PolarHBondContact O-N 2.98Å; C210-L285 CarbonylContact C-O 3.51Å; C210-L285 VanDerWaalsContact CA-O 3.25Å; C210-L285 WeakPolarHBondContact CA-O 3.47Å; C210-V287 HydrophobicContact CB-CG1 4.26Å; C210-V287 HydrophobicContact CB-CG2 4.03Å |
| 211 | C | 95.3 | Very high | 95.3 | Very high | 61 Ų | 61 | 47.8 Ų | 47.8 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -64.2 | -26.6 | 175.8 | -57 | 0 | 0 | 0 | 0 | 112.2 | C284 L285 | C211-C284 WeakPolarHBondContact CA-SG 3.41Å; C211-C284 HydrophobicContact CB-CB 3.98Å; C211-C284 WeakPolarHBondContact CB-SG 3.38Å; C211-C284 WeakPolarHBondContact SG-CB 3.3Å; C211-C284 PolarHBondContact SG-O 3.25Å; C211-C284 CovalentContact SG-SG 2.03Å; C211-C284 PolarHBondContact SG-SG 3.05Å; C211-L285 PolarHBondContact N-O 2.96Å; C211-L285 VanDerWaalsContact SG-C 3.52Å |
| 212 | Q | 95.4 | Very high | 95.3 | Very high | 70 Ų | 70 | 46.3 Ų | 46.3 | 33% | 0.327 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -145.2 | 167.4 | 176.4 | 66 | 174.8 | 23.5 | 0 | 0 | 111.9 | C210 V287 S288 | C210-Q212 WeakPolarHBondContact CB-O 3.46Å; C210-Q212 PolarHBondContact O-N 2.98Å; Q212-V287 HydrophobicContact CG-CG2 3.86Å; Q212-S288 VanDerWaalsContact CD-CB 3.49Å; Q212-S288 PolarHBondContact NE2-OG 3.05Å |
| 213 | T | 97.1 | Very high | 95.3 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 22% | 0.221 | 24% | 0.237 | C | C | . | . | trans | -79.1 | 127.2 | 172.2 | -57.7 | 0 | 0 | 0 | 0 | 110.2 | F201 K215 | F201-T213 HydrophobicContact CB-CG2 3.48Å; F201-T213 VanDerWaalsContact CB-CG2 3.48Å; T213-K215 HydrophobicContact CG2-CG 3.98Å; T213-K215 PolarHBondContact O-N 3.46Å | ||
| 214 | P | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -78 | 85.3 | -179.9 | 32.3 | -35.3 | 0 | 0 | 0 | 110.6 | L196 D219 Q220 L223 V287 | L196-P214 HydrophobicContact CD2-CG 4.29Å; P214-D219 HydrophobicContact CB-CB 3.79Å; P214-Q220 HydrophobicContact CB-CG 4.14Å; P214-Q220 WeakPolarHBondContact O-CG 3.41Å; P214-L223 HydrophobicContact CG-CD2 3.94Å; P214-V287 HydrophobicContact CB-CG2 4.23Å | ||
| 215 | K | 88 | Confident | 95.3 | Very high | 155 Ų | 155 | 37.5 Ų | 37.5 | 67% | 0.674 | 22% | 0.221 | S | C | * | . | trans | -84 | -30.7 | -169.6 | -70 | 177.9 | -174.9 | 175.5 | 0 | 113.2 | T213 | T213-K215 HydrophobicContact CG2-CG 3.98Å; T213-K215 PolarHBondContact O-N 3.46Å | ||
| 216 | N | 93.5 | Very high | 95.3 | Very high | 62 Ų | 62 | 38.5 Ų | 38.5 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -107.9 | 162.3 | -176.7 | 73.6 | 64.3 | 0 | 0 | 0 | 110.9 | D218 D219 Q220 | N216-D218 VanDerWaalsContact C-N 3.29Å; N216-D218 PolarHBondContact O-N 3.47Å; N216-D218 WeakPolarHBondContact OD1-CA 3.42Å; N216-D218 WeakPolarHBondContact OD1-CB 3.41Å; N216-D218 PolarHBondContact OD1-N 2.87Å; N216-D219 PolarHBondContact ND2-OD1 3.49Å; N216-D219 PolarHBondContact ND2-OD2 2.95Å; N216-D219 PolarHBondContact O-N 2.66Å; N216-D219 PolarHBondContact OD1-N 2.98Å; N216-Q220 WeakPolarHBondContact O-CG 3.43Å; N216-Q220 PolarHBondContact O-N 2.71Å |
| 217 | P | 93.6 | Very high | 95.3 | Very high | 98 Ų | 98 | 35.8 Ų | 35.8 | 64% | 0.636 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -59.5 | -33.7 | -178.1 | -27.3 | 36.5 | 0 | 0 | 0 | 114.8 | Q220 M221 | P217-Q220 PolarHBondContact O-N 2.98Å; P217-M221 PolarHBondContact O-N 3.44Å |
| 218 | D | 93.9 | Very high | 95.4 | Very high | 59 Ų | 59 | 34 Ų | 34 | 32% | 0.316 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -69.9 | -41.7 | 179 | -62.5 | -40.3 | 0 | 0 | 0 | 110.3 | N216 Q220 M221 E222 H289 | N216-D218 VanDerWaalsContact C-N 3.29Å; N216-D218 PolarHBondContact O-N 3.47Å; N216-D218 WeakPolarHBondContact OD1-CA 3.42Å; N216-D218 WeakPolarHBondContact OD1-CB 3.41Å; N216-D218 PolarHBondContact OD1-N 2.87Å; D218-Q220 VanDerWaalsContact C-N 3.31Å; D218-Q220 PolarHBondContact O-N 3.14Å; D218-M221 PolarHBondContact O-N 3.48Å; D218-E222 PolarHBondContact O-N 2.98Å; D218-H289 HydrophobicContact CB-CB 3.77Å |
| 219 | D | 95.8 | Very high | 95.3 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 5% | 0.053 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -35 | 173.4 | -63.7 | -12.9 | 0 | 0 | 0 | 112.4 | P214 N216 E222 L223 V287 H289 | P214-D219 HydrophobicContact CB-CB 3.79Å; N216-D219 PolarHBondContact ND2-OD1 3.49Å; N216-D219 PolarHBondContact ND2-OD2 2.95Å; N216-D219 PolarHBondContact O-N 2.66Å; N216-D219 PolarHBondContact OD1-N 2.98Å; D219-E222 PolarHBondContact O-N 3.24Å; D219-L223 PolarHBondContact O-N 3.03Å; D219-V287 WeakPolarHBondContact CA-O 3.23Å; D219-V287 WeakPolarHBondContact CB-O 3.16Å; D219-H289 PolarHBondContact OD1-N 3.26Å; D219-H289 VanDerWaalsContact OD1-N 3.16Å |
| 220 | Q | 95.8 | Very high | 95.4 | Very high | 21 Ų | 21 | 36 Ų | 36 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | 177 | -70.7 | 169.1 | 22.9 | 0 | 0 | 110.9 | L196 P214 N216 P217 D218 L223 M224 | L196-Q220 HydrophobicContact CD1-CB 4.5Å; L196-Q220 HydrophobicContact CD2-CG 4.47Å; P214-Q220 HydrophobicContact CB-CG 4.14Å; P214-Q220 WeakPolarHBondContact O-CG 3.41Å; N216-Q220 WeakPolarHBondContact O-CG 3.43Å; N216-Q220 PolarHBondContact O-N 2.71Å; P217-Q220 PolarHBondContact O-N 2.98Å; D218-Q220 VanDerWaalsContact C-N 3.31Å; D218-Q220 PolarHBondContact O-N 3.14Å; Q220-L223 WeakPolarHBondContact O-CB 2.91Å; Q220-L223 PolarHBondContact O-N 3.2Å; Q220-M224 WeakPolarHBondContact O-CG 3.35Å; Q220-M224 PolarHBondContact O-N 3.21Å |
| 221 | M | 94.3 | Very high | 95.4 | Very high | 19 Ų | 19 | 35.1 Ų | 35.1 | 9% | 0.094 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 172.1 | 179.1 | -150.5 | 65.8 | 0 | 0 | 111.1 | P217 D218 L223 M224 Q225 A340 | P217-M221 PolarHBondContact O-N 3.44Å; D218-M221 PolarHBondContact O-N 3.48Å; M221-L223 VanDerWaalsContact C-N 3.29Å; M221-L223 PolarHBondContact O-N 2.66Å; M221-M224 PolarHBondContact O-N 3.13Å; M221-Q225 WeakPolarHBondContact O-CB 3.23Å; M221-Q225 PolarHBondContact O-N 2.96Å; M221-A340 HydrophobicContact CE-CB 4.29Å; M221-A340 HydrophobicContact SD-CB 3.16Å; M221-A340 WeakPolarHBondContact SD-CB 3.31Å |
| 222 | E | 95.7 | Very high | 95.5 | Very high | 22 Ų | 22 | 32.4 Ų | 32.4 | 10% | 0.103 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.8 | -44.3 | 177.1 | -156.4 | 83.1 | -170.4 | 0 | 0 | 110.9 | D218 D219 Q225 N226 H289 T292 | D218-E222 PolarHBondContact O-N 2.98Å; D219-E222 PolarHBondContact O-N 3.24Å; E222-Q225 PolarHBondContact O-N 3.25Å; E222-N226 WeakPolarHBondContact O-CB 3.49Å; E222-N226 PolarHBondContact O-N 3.09Å; E222-N226 PolarHBondContact O-ND2 3.29Å; E222-H289 IonicContact OE2-CG 3.86Å; E222-H289 IonicContact OE2-ND1 3.82Å; E222-H289 PolarHBondContact OE2-ND1 3.38Å; E222-T292 WeakPolarHBondContact OE1-CB 3.39Å; E222-T292 WeakPolarHBondContact OE1-CG2 3.43Å; E222-T292 PolarHBondContact OE1-OG1 2.95Å |
| 223 | L | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.3 | -50.8 | 171.9 | 169 | 66.3 | 0 | 0 | 0 | 111.7 | L196 V204 P214 D219 Q220 M221 Q225 N226 L227 L285 V287 | L196-L223 HydrophobicContact CD1-CD2 4.14Å; L196-L223 HydrophobicContact CD2-CD2 4.24Å; V204-L223 HydrophobicContact CG1-CD2 3.49Å; V204-L223 VanDerWaalsContact CG1-CD2 3.49Å; P214-L223 HydrophobicContact CG-CD2 3.94Å; D219-L223 PolarHBondContact O-N 3.03Å; Q220-L223 WeakPolarHBondContact O-CB 2.91Å; Q220-L223 PolarHBondContact O-N 3.2Å; M221-L223 VanDerWaalsContact C-N 3.29Å; M221-L223 PolarHBondContact O-N 2.66Å; L223-Q225 VanDerWaalsContact C-N 3.32Å; L223-Q225 PolarHBondContact O-N 3.27Å; L223-N226 PolarHBondContact O-N 3.48Å; L223-L227 HydrophobicContact CD1-CD1 3.78Å; L223-L227 HydrophobicContact CD1-CD2 4.47Å; L223-L227 HydrophobicContact CD1-CG 3.9Å; L223-L227 HydrophobicContact CG-CD1 4.03Å; L223-L227 HydrophobicContact CG-CG 4.46Å; L223-L227 WeakPolarHBondContact O-CB 3.46Å; L223-L227 VanDerWaalsContact O-CG 3.27Å; L223-L227 WeakPolarHBondContact O-CG 3.35Å; L223-L227 PolarHBondContact O-N 3.24Å; L223-L285 HydrophobicContact CD1-CD2 3.98Å; L223-V287 HydrophobicContact CB-CB 4.17Å; L223-V287 HydrophobicContact CB-CG1 3.85Å; L223-V287 HydrophobicContact CD1-CG1 3.9Å; L223-V287 HydrophobicContact CG-CG1 4.48Å |
| 224 | M | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.5 | -36 | -177 | -65.6 | -49 | -73.8 | 0 | 0 | 112.4 | F189 V192 L196 Q220 M221 L227 A228 M335 V336 | F189-M224 HydrophobicContact CD1-CE 3.57Å; F189-M224 HydrophobicContact CE1-CE 4.2Å; F189-M224 HydrophobicContact CG-CE 4.45Å; V192-M224 HydrophobicContact CB-CE 4.34Å; V192-M224 HydrophobicContact CB-SD 4.43Å; V192-M224 HydrophobicContact CG1-CE 4.17Å; V192-M224 HydrophobicContact CG1-SD 3.63Å; L196-M224 HydrophobicContact CD1-CG 4.45Å; L196-M224 HydrophobicContact CD1-SD 4Å; Q220-M224 WeakPolarHBondContact O-CG 3.35Å; Q220-M224 PolarHBondContact O-N 3.21Å; M221-M224 PolarHBondContact O-N 3.13Å; M224-L227 HydrophobicContact SD-CD1 4.38Å; M224-A228 WeakPolarHBondContact O-CB 3.32Å; M224-A228 PolarHBondContact O-N 2.72Å; M224-M335 HydrophobicContact CG-SD 3.85Å; M224-V336 HydrophobicContact CB-CG2 4.39Å |
| 225 | Q | 96.2 | Very high | 95.5 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 12% | 0.117 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.2 | -52.9 | 172.5 | -179.1 | 66.9 | 65.1 | 0 | 0 | 110.6 | M221 E222 L223 L227 A228 D229 V336 | M221-Q225 WeakPolarHBondContact O-CB 3.23Å; M221-Q225 PolarHBondContact O-N 2.96Å; E222-Q225 PolarHBondContact O-N 3.25Å; L223-Q225 VanDerWaalsContact C-N 3.32Å; L223-Q225 PolarHBondContact O-N 3.27Å; Q225-L227 VanDerWaalsContact C-N 3.27Å; Q225-L227 PolarHBondContact O-N 3.27Å; Q225-A228 CarbonylContact O-C 3.54Å; Q225-A228 WeakPolarHBondContact O-CA 3.4Å; Q225-A228 WeakPolarHBondContact O-CB 3.29Å; Q225-A228 PolarHBondContact O-N 3.37Å; Q225-D229 PolarHBondContact NE2-OD1 3.22Å; Q225-D229 VanDerWaalsContact O-CG 3.26Å; Q225-D229 PolarHBondContact O-N 3.46Å; Q225-V336 HydrophobicContact CB-CG2 4.43Å |
| 226 | N | 95.9 | Very high | 95.9 | Very high | 29 Ų | 29 | 21.3 Ų | 21.3 | 16% | 0.155 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.6 | -37.4 | -178.5 | -72.3 | -10.2 | 0 | 0 | 0 | 112.6 | E222 L223 D229 I230 L285 D286 | E222-N226 WeakPolarHBondContact O-CB 3.49Å; E222-N226 PolarHBondContact O-N 3.09Å; E222-N226 PolarHBondContact O-ND2 3.29Å; L223-N226 PolarHBondContact O-N 3.48Å; N226-D229 PolarHBondContact O-N 3.43Å; N226-I230 WeakPolarHBondContact O-CG1 3.42Å; N226-I230 PolarHBondContact O-N 2.74Å; N226-L285 HydrophobicContact CB-CD1 3.77Å; N226-L285 HydrophobicContact CB-CD2 4.05Å; N226-L285 HydrophobicContact CB-CG 4.12Å; N226-D286 PolarHBondContact ND2-O 2.87Å |
| 227 | L | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.3 | -47.3 | 172.1 | -71.8 | 179.9 | 0 | 0 | 0 | 110.9 | F189 V192 F208 L223 M224 Q225 D229 I230 Y269 V273 L285 | F189-L227 HydrophobicContact CE1-CB 4.06Å; F189-L227 HydrophobicContact CZ-CB 3.99Å; V192-L227 HydrophobicContact CG1-CD1 4.12Å; F208-L227 HydrophobicContact CB-CD2 4.47Å; F208-L227 HydrophobicContact CD1-CD1 4.44Å; F208-L227 HydrophobicContact CD1-CD2 3.54Å; F208-L227 HydrophobicContact CE1-CD1 4.44Å; F208-L227 HydrophobicContact CE1-CD2 3.96Å; F208-L227 HydrophobicContact CG-CD2 4.1Å; L223-L227 HydrophobicContact CD1-CD1 3.78Å; L223-L227 HydrophobicContact CD1-CD2 4.47Å; L223-L227 HydrophobicContact CD1-CG 3.9Å; L223-L227 HydrophobicContact CG-CD1 4.03Å; L223-L227 HydrophobicContact CG-CG 4.46Å; L223-L227 WeakPolarHBondContact O-CB 3.46Å; L223-L227 VanDerWaalsContact O-CG 3.27Å; L223-L227 WeakPolarHBondContact O-CG 3.35Å; L223-L227 PolarHBondContact O-N 3.24Å; M224-L227 HydrophobicContact SD-CD1 4.38Å; Q225-L227 VanDerWaalsContact C-N 3.27Å; Q225-L227 PolarHBondContact O-N 3.27Å; L227-D229 VanDerWaalsContact C-N 3.3Å; L227-D229 PolarHBondContact O-N 2.88Å; L227-I230 PolarHBondContact O-N 3.43Å; L227-Y269 WeakPolarHBondContact CA-OH 3.34Å; L227-Y269 HydrophobicContact CB-CE1 4.04Å; L227-Y269 VanDerWaalsContact CB-OH 3.24Å; L227-Y269 WeakPolarHBondContact CB-OH 3.29Å; L227-Y269 HydrophobicContact CD1-CE1 4.23Å; L227-Y269 HydrophobicContact CD2-CE1 3.92Å; L227-Y269 HydrophobicContact CG-CE1 4.27Å; L227-Y269 PolarHBondContact O-OH 2.94Å; L227-V273 HydrophobicContact CD2-CG1 4.49Å; L227-V273 HydrophobicContact CD2-CG2 3.91Å; L227-L285 HydrophobicContact CD2-CD2 4.21Å |
| 228 | A | 97.4 | Very high | 96 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 2% | 0.017 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.9 | -44.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | F189 M224 Q225 I230 I231 M232 F332 | F189-A228 HydrophobicContact CE1-CB 4.19Å; F189-A228 HydrophobicContact CZ-CB 4.32Å; M224-A228 WeakPolarHBondContact O-CB 3.32Å; M224-A228 PolarHBondContact O-N 2.72Å; Q225-A228 CarbonylContact O-C 3.54Å; Q225-A228 WeakPolarHBondContact O-CA 3.4Å; Q225-A228 WeakPolarHBondContact O-CB 3.29Å; Q225-A228 PolarHBondContact O-N 3.37Å; A228-I230 VanDerWaalsContact C-N 3.28Å; A228-I230 PolarHBondContact O-N 2.79Å; A228-I231 PolarHBondContact O-N 3.44Å; A228-M232 HydrophobicContact CB-SD 3.83Å; A228-M232 WeakPolarHBondContact O-CB 3.41Å; A228-M232 WeakPolarHBondContact O-CG 3.34Å; A228-M232 PolarHBondContact O-N 3.19Å; A228-F332 HydrophobicContact CB-CB 4.15Å; A228-F332 HydrophobicContact CB-CD1 4.11Å; A228-F332 HydrophobicContact CB-CD2 3.86Å; A228-F332 HydrophobicContact CB-CE1 4.45Å; A228-F332 HydrophobicContact CB-CE2 4.22Å; A228-F332 HydrophobicContact CB-CG 3.78Å; A228-F332 HydrophobicContact CB-CZ 4.48Å |
| 229 | D | 95.7 | Very high | 95.9 | Very high | 62 Ų | 62 | 19.2 Ų | 19.2 | 33% | 0.332 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -58.6 | -36 | -179.4 | -70.2 | -15.1 | 0 | 0 | 0 | 112.9 | Q225 N226 L227 I231 M232 G233 | Q225-D229 PolarHBondContact NE2-OD1 3.22Å; Q225-D229 VanDerWaalsContact O-CG 3.26Å; Q225-D229 PolarHBondContact O-N 3.46Å; N226-D229 PolarHBondContact O-N 3.43Å; L227-D229 VanDerWaalsContact C-N 3.3Å; L227-D229 PolarHBondContact O-N 2.88Å; D229-I231 VanDerWaalsContact C-N 3.34Å; D229-I231 PolarHBondContact O-N 2.88Å; D229-M232 PolarHBondContact O-N 3.33Å; D229-G233 PolarHBondContact O-N 3.46Å |
| 230 | I | 95.8 | Very high | 95.6 | Very high | 7 Ų | 7 | 19.4 Ų | 19.4 | 4% | 0.036 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 174.1 | -71.4 | 168.5 | 0 | 0 | 0 | 110.8 | N226 L227 A228 S234 Y272 V273 Y276 | N226-I230 WeakPolarHBondContact O-CG1 3.42Å; N226-I230 PolarHBondContact O-N 2.74Å; L227-I230 PolarHBondContact O-N 3.43Å; A228-I230 VanDerWaalsContact C-N 3.28Å; A228-I230 PolarHBondContact O-N 2.79Å; I230-S234 PolarHBondContact O-N 3.41Å; I230-S234 PolarHBondContact O-OG 2.62Å; I230-Y272 HydrophobicContact CG2-CD1 4.17Å; I230-Y272 HydrophobicContact CG2-CE1 3.76Å; I230-V273 HydrophobicContact CD1-CB 4.44Å; I230-V273 HydrophobicContact CD1-CG1 3.92Å; I230-V273 HydrophobicContact CD1-CG2 3.99Å; I230-Y276 HydrophobicContact CD1-CD1 4.26Å; I230-Y276 HydrophobicContact CG1-CD1 3.94Å; I230-Y276 HydrophobicContact CG1-CE1 3.94Å; I230-Y276 HydrophobicContact CG1-CG 4.39Å; I230-Y276 HydrophobicContact CG2-CD1 4.18Å; I230-Y276 HydrophobicContact CG2-CD2 3.81Å; I230-Y276 HydrophobicContact CG2-CE2 4.25Å; I230-Y276 HydrophobicContact CG2-CG 3.77Å |
| 231 | I | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -74.1 | -42.7 | 178.4 | -65.5 | -174.4 | 0 | 0 | 0 | 111.1 | V166 L170 V185 F189 A228 D229 G233 S234 V235 L249 Y269 F332 | V166-I231 HydrophobicContact CG1-CG2 4.11Å; L170-I231 HydrophobicContact CD1-CG2 4.08Å; L170-I231 HydrophobicContact CD2-CG2 4.34Å; V185-I231 HydrophobicContact CB-CD1 4.46Å; V185-I231 HydrophobicContact CG1-CD1 3.54Å; V185-I231 HydrophobicContact CG2-CD1 4.08Å; F189-I231 HydrophobicContact CE2-CD1 3.74Å; F189-I231 HydrophobicContact CZ-CD1 4.4Å; A228-I231 PolarHBondContact O-N 3.44Å; D229-I231 VanDerWaalsContact C-N 3.34Å; D229-I231 PolarHBondContact O-N 2.88Å; I231-G233 VanDerWaalsContact C-N 3.34Å; I231-G233 PolarHBondContact O-N 2.98Å; I231-S234 PolarHBondContact O-N 3.14Å; I231-V235 PolarHBondContact O-N 2.66Å; I231-L249 HydrophobicContact CB-CD2 4.48Å; I231-L249 HydrophobicContact CG1-CD1 4.47Å; I231-L249 HydrophobicContact CG1-CD2 4.3Å; I231-L249 HydrophobicContact CG2-CD2 3.86Å; I231-Y269 HydrophobicContact CD1-CD2 4.19Å; I231-Y269 HydrophobicContact CD1-CE2 3.61Å; I231-Y269 HydrophobicContact CG1-CE2 3.77Å; I231-F332 HydrophobicContact CB-CE1 3.9Å; I231-F332 HydrophobicContact CB-CZ 4.12Å; I231-F332 HydrophobicContact CD1-CE1 4.1Å; I231-F332 HydrophobicContact CG2-CE1 3.81Å; I231-F332 HydrophobicContact CG2-CZ 3.89Å |
| 232 | M | 97.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.02 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.5 | -46.1 | 178.4 | -71.5 | 164 | 56.7 | 0 | 0 | 110.8 | Y162 V166 A228 D229 S234 V235 Q236 Q323 F332 | Y162-M232 HydrophobicContact CD1-CE 3.57Å; Y162-M232 HydrophobicContact CD1-CG 4.42Å; Y162-M232 HydrophobicContact CE1-CB 3.81Å; Y162-M232 HydrophobicContact CE1-CE 3.23Å; Y162-M232 HydrophobicContact CE1-CG 3.76Å; Y162-M232 HydrophobicContact CE1-SD 4.21Å; V166-M232 HydrophobicContact CG1-CG 4.38Å; V166-M232 HydrophobicContact CG2-CB 4.48Å; V166-M232 HydrophobicContact CG2-CG 4.13Å; A228-M232 HydrophobicContact CB-SD 3.83Å; A228-M232 WeakPolarHBondContact O-CB 3.41Å; A228-M232 WeakPolarHBondContact O-CG 3.34Å; A228-M232 PolarHBondContact O-N 3.19Å; D229-M232 PolarHBondContact O-N 3.33Å; M232-S234 PolarHBondContact O-N 3.25Å; M232-V235 PolarHBondContact O-N 2.95Å; M232-Q236 WeakPolarHBondContact O-CB 3.16Å; M232-Q236 PolarHBondContact O-N 2.88Å; M232-Q323 HydrophobicContact CE-CB 3.88Å; M232-Q323 HydrophobicContact CE-CG 4.18Å; M232-F332 HydrophobicContact CG-CE2 3.6Å; M232-F332 HydrophobicContact CG-CZ 3.77Å; M232-F332 HydrophobicContact SD-CD2 4.42Å; M232-F332 HydrophobicContact SD-CE2 3.86Å; M232-F332 HydrophobicContact SD-CZ 4.47Å |
| 233 | G | 95.4 | Very high | 92.7 | Very high | 11 Ų | 11 | 28.2 Ų | 28.2 | 11% | 0.113 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D229 I231 V235 Q236 Y237 | D229-G233 PolarHBondContact O-N 3.46Å; I231-G233 VanDerWaalsContact C-N 3.34Å; I231-G233 PolarHBondContact O-N 2.98Å; G233-V235 VanDerWaalsContact C-N 3.3Å; G233-V235 PolarHBondContact O-N 3.38Å; G233-Q236 PolarHBondContact O-N 3.16Å; G233-Y237 WeakPolarHBondContact O-CB 3.42Å; G233-Y237 PolarHBondContact O-N 3.17Å |
| 234 | S | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.7 | -28.1 | 176.3 | -76.9 | 0 | 0 | 0 | 0 | 114.6 | I230 I231 M232 N238 M244 Y272 | I230-S234 PolarHBondContact O-N 3.41Å; I230-S234 PolarHBondContact O-OG 2.62Å; I231-S234 PolarHBondContact O-N 3.14Å; M232-S234 PolarHBondContact O-N 3.25Å; S234-N238 WeakPolarHBondContact O-CA 3.17Å; S234-N238 WeakPolarHBondContact O-CB 3.47Å; S234-N238 PolarHBondContact O-N 2.87Å; S234-M244 VanDerWaalsContact CA-O 3.3Å; S234-M244 WeakPolarHBondContact CA-O 3.31Å; S234-M244 WeakPolarHBondContact CB-O 3.09Å; S234-M244 PolarHBondContact OG-O 2.69Å; S234-Y272 WeakPolarHBondContact CB-OH 3.32Å; S234-Y272 PolarHBondContact OG-OH 3.13Å |
| 235 | V | 97.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -80.8 | -50.9 | 171.3 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | V166 L170 I231 M232 G233 Y237 N238 I246 V384 P386 | V166-V235 HydrophobicContact CG1-CB 4.23Å; V166-V235 HydrophobicContact CG1-CG2 3.89Å; V166-V235 HydrophobicContact CG2-CB 4.35Å; V166-V235 HydrophobicContact CG2-CG1 4.35Å; L170-V235 HydrophobicContact CD2-CG2 3.97Å; L170-V235 HydrophobicContact CG-CG2 4.29Å; I231-V235 PolarHBondContact O-N 2.66Å; M232-V235 PolarHBondContact O-N 2.95Å; G233-V235 VanDerWaalsContact C-N 3.3Å; G233-V235 PolarHBondContact O-N 3.38Å; V235-Y237 VanDerWaalsContact C-N 3.26Å; V235-Y237 PolarHBondContact O-N 2.73Å; V235-N238 WeakPolarHBondContact O-CB 3.44Å; V235-N238 PolarHBondContact O-N 3.48Å; V235-I246 HydrophobicContact CB-CD1 4.29Å; V235-I246 HydrophobicContact CB-CG1 4.42Å; V235-I246 HydrophobicContact CG1-CD1 4.11Å; V235-I246 HydrophobicContact CG2-CD1 4.01Å; V235-I246 HydrophobicContact CG2-CG1 3.86Å; V235-V384 WeakPolarHBondContact CG1-O 3.36Å; V235-P386 HydrophobicContact CG1-CG 4.48Å |
| 236 | Q | 96.7 | Very high | 92.3 | Very high | 17 Ų | 17 | 28.2 Ų | 28.2 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.9 | -40.2 | -178 | -178.4 | 177.3 | -53 | 0 | 0 | 111.7 | Y162 M232 G233 A409 H410 | Y162-Q236 PolarHBondContact OH-OE1 2.98Å; M232-Q236 WeakPolarHBondContact O-CB 3.16Å; M232-Q236 PolarHBondContact O-N 2.88Å; G233-Q236 PolarHBondContact O-N 3.16Å; Q236-A409 WeakPolarHBondContact O-CB 3.39Å; Q236-H410 HydrophobicContact CG-CB 3.58Å; Q236-H410 WeakPolarHBondContact O-CB 3.47Å; Q236-H410 PolarHBondContact O-N 2.91Å |
| 237 | Y | 94.8 | Very high | 92.3 | Very high | 97 Ų | 97 | 33.4 Ų | 33.4 | 38% | 0.38 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 30 | -179.4 | -59.8 | -70.3 | 0 | 0 | 0 | 112.6 | G233 V235 E239 E240 L243 | G233-Y237 WeakPolarHBondContact O-CB 3.42Å; G233-Y237 PolarHBondContact O-N 3.17Å; V235-Y237 VanDerWaalsContact C-N 3.26Å; V235-Y237 PolarHBondContact O-N 2.73Å; Y237-E239 PolarHBondContact O-N 3.12Å; Y237-E239 VanDerWaalsContact O-N 3.11Å; Y237-E240 PolarHBondContact O-N 3.09Å; Y237-L243 HydrophobicContact CD2-CD1 3.7Å; Y237-L243 HydrophobicContact CG-CD1 4.29Å |
| 238 | N | 95.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 120.6 | -178.8 | 177 | 69.9 | 0 | 0 | 0 | 112.4 | S234 V235 E240 S245 I246 A409 | S234-N238 WeakPolarHBondContact O-CA 3.17Å; S234-N238 WeakPolarHBondContact O-CB 3.47Å; S234-N238 PolarHBondContact O-N 2.87Å; V235-N238 WeakPolarHBondContact O-CB 3.44Å; V235-N238 PolarHBondContact O-N 3.48Å; N238-E240 PolarHBondContact O-N 3.05Å; N238-S245 WeakPolarHBondContact OD1-CB 3.28Å; N238-I246 HydrophobicContact CB-CD1 3.78Å; N238-I246 HydrophobicContact CB-CG1 3.92Å; N238-I246 WeakPolarHBondContact OD1-CB 3.35Å; N238-I246 WeakPolarHBondContact OD1-CG1 3.49Å; N238-I246 PolarHBondContact OD1-N 3.37Å; N238-A409 HydrophobicContact CB-CB 4.11Å; N238-A409 WeakPolarHBondContact O-CB 3.03Å |
| 239 | E | 91.9 | Very high | 92.3 | Very high | 74 Ų | 74 | 38 Ų | 38 | 35% | 0.346 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 9.3 | -177.7 | -58.4 | 170.7 | -177.2 | 0 | 0 | 114.6 | Y237 R422 | Y237-E239 PolarHBondContact O-N 3.12Å; Y237-E239 VanDerWaalsContact O-N 3.11Å; E239-R422 IonicContact OE1-CZ 3.17Å; E239-R422 IonicContact OE1-NE 2.71Å; E239-R422 IonicContact OE1-NH2 3.78Å; E239-R422 PolarHBondContact OE1-NH2 2.93Å; E239-R422 IonicContact OE2-CZ 2.66Å; E239-R422 IonicContact OE2-NE 2.78Å; E239-R422 PolarHBondContact OE2-NE 3.36Å; E239-R422 IonicContact OE2-NH2 3.4Å |
| 240 | E | 88.2 | Confident | 92.4 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -114.2 | 139.5 | 176.5 | -60.3 | -53.6 | 144.9 | 0 | 0 | 111.6 | Y237 N238 A409 A412 S415 R418 | Y237-E240 PolarHBondContact O-N 3.09Å; N238-E240 PolarHBondContact O-N 3.05Å; E240-A409 HydrophobicContact CG-CB 4.22Å; E240-A412 HydrophobicContact CG-CB 3.64Å; E240-A412 WeakPolarHBondContact OE1-CB 3.02Å; E240-S415 PolarHBondContact OE2-OG 3.14Å; E240-R418 VanDerWaalsContact CD-NH2 3.26Å; E240-R418 IonicContact OE1-CZ 3.25Å; E240-R418 IonicContact OE1-NH1 3.13Å; E240-R418 IonicContact OE1-NH2 2.62Å; E240-R418 PolarHBondContact OE1-NH2 3.37Å; E240-R418 IonicContact OE2-CZ 3.51Å; E240-R418 IonicContact OE2-NH1 3.56Å; E240-R418 PolarHBondContact OE2-NH1 2.78Å; E240-R418 IonicContact OE2-NH2 2.98Å; E240-R418 PolarHBondContact OE2-NH2 2.97Å; E240-R418 VanDerWaalsContact OE2-NH2 3.14Å |
| 241 | G | 77.6 | Confident | 92.4 | Very high | 76 Ų | 76 | 36.8 Ų | 36.8 | 78% | 0.784 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | -145.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 242 | V | 68.4 | Low | 92.4 | Very high | 123 Ų | 123 | 37.3 Ų | 37.3 | 75% | 0.745 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 0.2 | -175 | -64.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 243 | L | 79.4 | Confident | 92.4 | Very high | 48 Ų | 48 | 37.1 Ų | 37.1 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -78.1 | 157.9 | -177.7 | -61.1 | -176.1 | 0 | 0 | 0 | 111.4 | Y237 Y276 | Y237-L243 HydrophobicContact CD2-CD1 3.7Å; Y237-L243 HydrophobicContact CG-CD1 4.29Å; L243-Y276 HydrophobicContact CD2-CE2 3.84Å |
| 244 | M | 90.3 | Very high | 92.4 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 5% | 0.054 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 142.1 | 175.1 | -63.7 | -167.3 | 77.7 | 0 | 0 | 111.3 | S234 E248 Y272 M275 | S234-M244 VanDerWaalsContact CA-O 3.3Å; S234-M244 WeakPolarHBondContact CA-O 3.31Å; S234-M244 WeakPolarHBondContact CB-O 3.09Å; S234-M244 PolarHBondContact OG-O 2.69Å; M244-E248 HydrophobicContact CE-CB 3.91Å; M244-Y272 HydrophobicContact CB-CE2 4.09Å; M244-Y272 VanDerWaalsContact CB-OH 3.29Å; M244-Y272 WeakPolarHBondContact CB-OH 3.42Å; M244-Y272 HydrophobicContact CE-CD2 4.03Å; M244-Y272 HydrophobicContact CE-CE2 3.57Å; M244-Y272 HydrophobicContact CG-CE2 4.42Å; M244-Y272 HydrophobicContact SD-CD2 4Å; M244-Y272 HydrophobicContact SD-CE2 3.43Å; M244-Y272 WeakPolarHBondContact SD-CE2 3.31Å; M244-M275 HydrophobicContact CE-CB 4.06Å; M244-M275 HydrophobicContact CE-CE 3.61Å; M244-M275 HydrophobicContact CE-SD 4.5Å; M244-M275 HydrophobicContact SD-CB 3.86Å |
| 245 | S | 94.6 | Very high | 92.1 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -82.5 | 164.1 | 178.7 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | N238 K247 E248 L249 | N238-S245 WeakPolarHBondContact OD1-CB 3.28Å; S245-K247 PolarHBondContact O-N 3Å; S245-E248 WeakPolarHBondContact CB-OE2 3.17Å; S245-E248 PolarHBondContact N-OE2 3.22Å; S245-E248 PolarHBondContact O-N 3.15Å; S245-E248 WeakPolarHBondContact OG-CG 3.48Å; S245-E248 PolarHBondContact OG-N 3.29Å; S245-E248 PolarHBondContact OG-OE2 3.47Å; S245-L249 PolarHBondContact O-N 2.96Å |
| 246 | I | 96.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.3 | -42.1 | 171.3 | -64.6 | 171.5 | 0 | 0 | 0 | 110.6 | V175 V235 N238 E248 L249 C250 | V175-I246 HydrophobicContact CB-CD1 4.22Å; V175-I246 HydrophobicContact CG2-CB 4.41Å; V175-I246 HydrophobicContact CG2-CD1 3.68Å; V175-I246 HydrophobicContact CG2-CG2 4.1Å; V235-I246 HydrophobicContact CB-CD1 4.29Å; V235-I246 HydrophobicContact CB-CG1 4.42Å; V235-I246 HydrophobicContact CG1-CD1 4.11Å; V235-I246 HydrophobicContact CG2-CD1 4.01Å; V235-I246 HydrophobicContact CG2-CG1 3.86Å; N238-I246 HydrophobicContact CB-CD1 3.78Å; N238-I246 HydrophobicContact CB-CG1 3.92Å; N238-I246 WeakPolarHBondContact OD1-CB 3.35Å; N238-I246 WeakPolarHBondContact OD1-CG1 3.49Å; N238-I246 PolarHBondContact OD1-N 3.37Å; I246-E248 VanDerWaalsContact C-N 3.33Å; I246-E248 PolarHBondContact O-N 3.31Å; I246-L249 PolarHBondContact O-N 3.35Å; I246-C250 VanDerWaalsContact O-CB 3.29Å; I246-C250 WeakPolarHBondContact O-CB 3.41Å; I246-C250 PolarHBondContact O-N 2.85Å; I246-C250 PolarHBondContact O-SG 3.36Å |
| 247 | K | 96.5 | Very high | 90.5 | Very high | 139 Ų | 139 | 48.9 Ų | 48.9 | 60% | 0.604 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.4 | -42.2 | 178.1 | -176.1 | 178.8 | 177.6 | -178 | 0 | 112.1 | V175 S245 G251 | V175-K247 PolarHBondContact O-N 2.99Å; S245-K247 PolarHBondContact O-N 3Å; K247-G251 PolarHBondContact O-N 3.24Å |
| 248 | E | 96.1 | Very high | 89.6 | Confident | 98 Ų | 98 | 56 Ų | 56 | 46% | 0.458 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70 | -45.3 | 178.2 | -70 | 163.2 | 127.1 | 0 | 0 | 111.6 | M244 S245 I246 C250 G251 V252 | M244-E248 HydrophobicContact CE-CB 3.91Å; S245-E248 WeakPolarHBondContact CB-OE2 3.17Å; S245-E248 PolarHBondContact N-OE2 3.22Å; S245-E248 PolarHBondContact O-N 3.15Å; S245-E248 WeakPolarHBondContact OG-CG 3.48Å; S245-E248 PolarHBondContact OG-N 3.29Å; S245-E248 PolarHBondContact OG-OE2 3.47Å; I246-E248 VanDerWaalsContact C-N 3.33Å; I246-E248 PolarHBondContact O-N 3.31Å; E248-C250 PolarHBondContact O-N 3.39Å; E248-G251 PolarHBondContact O-N 3.19Å; E248-V252 WeakPolarHBondContact O-CG2 3.31Å; E248-V252 PolarHBondContact O-N 2.96Å |
| 249 | L | 97.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -53.8 | -55.1 | 173 | 171.2 | 58.7 | 0 | 0 | 0 | 111.3 | L170 I231 S245 I246 G251 V252 M253 Y272 | L170-L249 HydrophobicContact CD2-CD2 3.42Å; L170-L249 VanDerWaalsContact CD2-CD2 3.42Å; L170-L249 HydrophobicContact CD2-CG 4.38Å; I231-L249 HydrophobicContact CB-CD2 4.48Å; I231-L249 HydrophobicContact CG1-CD1 4.47Å; I231-L249 HydrophobicContact CG1-CD2 4.3Å; I231-L249 HydrophobicContact CG2-CD2 3.86Å; S245-L249 PolarHBondContact O-N 2.96Å; I246-L249 PolarHBondContact O-N 3.35Å; L249-G251 VanDerWaalsContact C-N 3.29Å; L249-G251 PolarHBondContact O-N 2.96Å; L249-V252 PolarHBondContact O-N 2.89Å; L249-V252 VanDerWaalsContact O-N 3.16Å; L249-M253 HydrophobicContact CD1-CG 3.76Å; L249-M253 HydrophobicContact CG-CG 4.44Å; L249-M253 WeakPolarHBondContact O-CG 3.47Å; L249-M253 PolarHBondContact O-N 3.19Å; L249-Y272 HydrophobicContact CB-CD2 4.35Å; L249-Y272 HydrophobicContact CB-CE1 4.41Å; L249-Y272 HydrophobicContact CB-CE2 3.63Å; L249-Y272 HydrophobicContact CD1-CD1 3.61Å; L249-Y272 HydrophobicContact CD1-CD2 3.9Å; L249-Y272 HydrophobicContact CD1-CE1 3.54Å; L249-Y272 HydrophobicContact CD1-CE2 3.85Å; L249-Y272 HydrophobicContact CD1-CG 3.76Å; L249-Y272 HydrophobicContact CG-CE1 4.39Å; L249-Y272 HydrophobicContact CG-CE2 4.32Å |
| 250 | C | 98 | Very high | 87.7 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.9 | -30.9 | -177.8 | -70.9 | 0 | 0 | 0 | 0 | 112.4 | G176 C181 I246 E248 M253 T254 | G176-C250 WeakPolarHBondContact O-CB 3.39Å; C181-C250 HydrophobicContact CB-CB 3.64Å; C181-C250 WeakPolarHBondContact CB-SG 3.32Å; C181-C250 WeakPolarHBondContact SG-CA 3.46Å; C181-C250 WeakPolarHBondContact SG-CB 3.47Å; C181-C250 CovalentContact SG-SG 2.04Å; C181-C250 PolarHBondContact SG-SG 3.39Å; I246-C250 VanDerWaalsContact O-CB 3.29Å; I246-C250 WeakPolarHBondContact O-CB 3.41Å; I246-C250 PolarHBondContact O-N 2.85Å; I246-C250 PolarHBondContact O-SG 3.36Å; E248-C250 PolarHBondContact O-N 3.39Å; C250-M253 PolarHBondContact O-N 2.79Å; C250-T254 VanDerWaalsContact O-CB 3.3Å; C250-T254 WeakPolarHBondContact O-CB 3.45Å; C250-T254 WeakPolarHBondContact O-CG2 3.48Å; C250-T254 PolarHBondContact O-N 3.33Å; C250-T254 PolarHBondContact O-OG1 3.08Å |
| 251 | G | 97 | Very high | 87 | Confident | 41 Ų | 41 | 66.6 Ų | 66.6 | 42% | 0.423 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | K247 E248 L249 E255 | K247-G251 PolarHBondContact O-N 3.24Å; E248-G251 PolarHBondContact O-N 3.19Å; L249-G251 VanDerWaalsContact C-N 3.29Å; L249-G251 PolarHBondContact O-N 2.96Å; G251-E255 PolarHBondContact O-N 3.43Å; G251-E255 VanDerWaalsContact O-N 3.15Å |
| 252 | V | 96.3 | Very high | 86.6 | Confident | 11 Ų | 11 | 69 Ų | 69 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.8 | -47.8 | 176.7 | 177 | 0 | 0 | 0 | 0 | 111.2 | E248 L249 T254 E255 R268 K271 Y272 M275 | E248-V252 WeakPolarHBondContact O-CG2 3.31Å; E248-V252 PolarHBondContact O-N 2.96Å; L249-V252 PolarHBondContact O-N 2.89Å; L249-V252 VanDerWaalsContact O-N 3.16Å; V252-T254 VanDerWaalsContact C-N 3.26Å; V252-T254 PolarHBondContact O-N 2.79Å; V252-E255 PolarHBondContact O-N 2.55Å; V252-R268 WeakPolarHBondContact CG1-O 3.46Å; V252-K271 HydrophobicContact CG1-CB 4.47Å; V252-K271 HydrophobicContact CG1-CD 4.18Å; V252-K271 HydrophobicContact CG1-CG 4.31Å; V252-Y272 HydrophobicContact CB-CD2 4.35Å; V252-Y272 HydrophobicContact CG2-CD2 4.27Å; V252-M275 HydrophobicContact CG2-CE 4.32Å; V252-M275 HydrophobicContact CG2-SD 3.81Å |
| 253 | M | 97.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.2 | -26.1 | -175.8 | -66.9 | -52.8 | -72.1 | 0 | 0 | 113.1 | K184 V185 A188 L249 C250 R268 Y269 | K184-M253 HydrophobicContact CB-CB 4.28Å; K184-M253 HydrophobicContact CB-CE 4.14Å; K184-M253 VanDerWaalsContact O-CE 3.32Å; K184-M253 WeakPolarHBondContact O-CE 3.21Å; V185-M253 HydrophobicContact CG2-CE 4.19Å; V185-M253 HydrophobicContact CG2-CG 4.15Å; A188-M253 HydrophobicContact CB-CE 3.99Å; L249-M253 HydrophobicContact CD1-CG 3.76Å; L249-M253 HydrophobicContact CG-CG 4.44Å; L249-M253 WeakPolarHBondContact O-CG 3.47Å; L249-M253 PolarHBondContact O-N 3.19Å; C250-M253 PolarHBondContact O-N 2.79Å; M253-R268 HydrophobicContact CE-CB 4.42Å; M253-R268 VanDerWaalsContact O-CD 3.27Å; M253-R268 WeakPolarHBondContact O-CD 3.46Å; M253-R268 PolarHBondContact O-NH1 3.29Å; M253-R268 HydrophobicContact SD-CB 3.84Å; M253-Y269 HydrophobicContact SD-CD2 4.46Å |
| 254 | T | 95.4 | Very high | 87.3 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -106.1 | -1.5 | -177.6 | 68.4 | 0 | 0 | 0 | 0 | 115.1 | K180 C181 C250 V252 T256 | K180-T254 HydrophobicContact CB-CG2 4.31Å; K180-T254 HydrophobicContact CD-CG2 4.21Å; K180-T254 HydrophobicContact CG-CG2 4.1Å; K180-T254 PolarHBondContact NZ-O 3.39Å; C181-T254 HydrophobicContact CB-CG2 3.94Å; C250-T254 VanDerWaalsContact O-CB 3.3Å; C250-T254 WeakPolarHBondContact O-CB 3.45Å; C250-T254 WeakPolarHBondContact O-CG2 3.48Å; C250-T254 PolarHBondContact O-N 3.33Å; C250-T254 PolarHBondContact O-OG1 3.08Å; V252-T254 VanDerWaalsContact C-N 3.26Å; V252-T254 PolarHBondContact O-N 2.79Å; T254-T256 PolarHBondContact O-N 2.92Å |
| 255 | E | 90.4 | Very high | 87.5 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | trans | -42.2 | 129.4 | -177.4 | -171.5 | 177.6 | 179.3 | 0 | 0 | 112.3 | G251 V252 R268 K271 | G251-E255 PolarHBondContact O-N 3.43Å; G251-E255 VanDerWaalsContact O-N 3.15Å; V252-E255 PolarHBondContact O-N 2.55Å; E255-R268 VanDerWaalsContact O-CZ 3.25Å; E255-R268 PolarHBondContact O-NH1 3.09Å; E255-R268 PolarHBondContact O-NH2 3.38Å; E255-K271 IonicContact OE1-NZ 3.59Å; E255-K271 IonicContact OE2-NZ 3.73Å; E255-K271 PolarHBondContact OE2-NZ 3.41Å | ||
| 256 | T | 82.4 | Confident | 87.6 | Confident | 126 Ų | 126 | 67.6 Ų | 67.6 | 77% | 0.773 | 33% | 0.334 | S | S | * | . | trans | -90.8 | 126.3 | 177.6 | 50.5 | 0 | 0 | 0 | 0 | 110.1 | T254 | T254-T256 PolarHBondContact O-N 2.92Š| ||
| 257 | T | 77.9 | Confident | 87.5 | Confident | 38 Ų | 38 | 70.6 Ų | 70.6 | 23% | 0.233 | 35% | 0.346 | C | S | . | . | trans | -147.2 | 149.4 | -178 | -178.8 | 0 | 0 | 0 | 0 | 111 | N259 R262 K263 | T257-N259 PolarHBondContact OG1-N 3.25Å; T257-R262 HydrophobicContact CG2-CB 3.67Å; T257-K263 HydrophobicContact CG2-CG 3.98Å; T257-K263 WeakPolarHBondContact O-CE 3.49Å | ||
| 258 | R | 74.7 | Confident | 87.4 | Confident | 246 Ų | 246 | 64.6 Ų | 64.6 | 93% | 0.928 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -79 | -20.2 | 174.9 | -68.3 | -174.6 | 179.4 | 179.5 | 0.1 | 112.6 | T260 | R258-T260 PolarHBondContact O-N 2.91Š|
| 259 | N | 75.5 | Confident | 87.5 | Confident | 76 Ų | 76 | 60 Ų | 60 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | trans | -76.8 | 116.1 | 179.4 | -178.3 | -36.6 | 0 | 0 | 0 | 110.4 | T257 F261 R262 K263 | T257-N259 PolarHBondContact OG1-N 3.25Å; N259-F261 PolarHBondContact O-N 3.27Å; N259-F261 WeakPolarHBondContact OD1-CB 3.29Å; N259-F261 PolarHBondContact OD1-N 3.25Å; N259-R262 HydrophobicContact CB-CB 4.19Å; N259-R262 HydrophobicContact CB-CG 4.21Å; N259-R262 PolarHBondContact O-N 3.21Å; N259-R262 PolarHBondContact OD1-N 2.91Å; N259-K263 WeakPolarHBondContact O-CG 3.33Å; N259-K263 PolarHBondContact O-N 3.08Å | ||
| 260 | T | 72.6 | Confident | 87.5 | Confident | 111 Ų | 111 | 61 Ų | 61 | 68% | 0.681 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -62.1 | -36.9 | -177.2 | 44.7 | 0 | 0 | 0 | 0 | 113.4 | R258 R262 K263 | R258-T260 PolarHBondContact O-N 2.91Å; T260-R262 PolarHBondContact O-N 3.46Å; T260-K263 WeakPolarHBondContact O-CB 3.25Å; T260-K263 PolarHBondContact O-N 3.1Å |
| 261 | F | 72.4 | Confident | 87.3 | Confident | 129 Ų | 129 | 64.2 Ų | 64.2 | 57% | 0.566 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -62.4 | -43.5 | 175.4 | 179.2 | -103.1 | 0 | 0 | 0 | 111.4 | N259 K263 C264 Y267 | N259-F261 PolarHBondContact O-N 3.27Å; N259-F261 WeakPolarHBondContact OD1-CB 3.29Å; N259-F261 PolarHBondContact OD1-N 3.25Å; F261-K263 PolarHBondContact O-N 3.47Å; F261-C264 VanDerWaalsContact O-CB 3.26Å; F261-C264 WeakPolarHBondContact O-CB 3.36Å; F261-C264 PolarHBondContact O-N 2.72Å; F261-C264 VanDerWaalsContact O-N 3.14Å; F261-Y267 HydrophobicContact CD1-CD2 4.02Å; F261-Y267 HydrophobicContact CD1-CE2 4.21Å; F261-Y267 HydrophobicContact CD1-CG 4.33Å; F261-Y267 AromaticContact CE1-CD2 3.23Å; F261-Y267 HydrophobicContact CE1-CD2 3.23Å; F261-Y267 AromaticContact CE1-CE2 3.44Å; F261-Y267 HydrophobicContact CE1-CE2 3.44Å; F261-Y267 VanDerWaalsContact CE1-CE2 3.44Å; F261-Y267 AromaticContact CE1-CG 3.93Å; F261-Y267 HydrophobicContact CE1-CG 3.93Å; F261-Y267 AromaticContact CZ-CD2 3.69Å; F261-Y267 HydrophobicContact CZ-CD2 3.69Å; F261-Y267 HydrophobicContact CZ-CE2 4.23Å; F261-Y267 HydrophobicContact CZ-CG 4.41Å |
| 262 | R | 70.6 | Confident | 87.2 | Confident | 126 Ų | 126 | 62.3 Ų | 62.3 | 48% | 0.475 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -71.7 | -7 | 175.2 | -62.6 | -172.5 | 175.3 | -177.6 | 0 | 113.8 | T257 N259 T260 Y267 R268 | T257-R262 HydrophobicContact CG2-CB 3.67Å; N259-R262 HydrophobicContact CB-CB 4.19Å; N259-R262 HydrophobicContact CB-CG 4.21Å; N259-R262 PolarHBondContact O-N 3.21Å; N259-R262 PolarHBondContact OD1-N 2.91Å; T260-R262 PolarHBondContact O-N 3.46Å; R262-Y267 HydrophobicContact CB-CD1 4.34Å; R262-Y267 HydrophobicContact CB-CE1 4.24Å; R262-Y267 HydrophobicContact CG-CD1 4.25Å; R262-Y267 HydrophobicContact CG-CE1 3.76Å; R262-R268 PolarHBondContact O-NE 2.9Å; R262-R268 PolarHBondContact O-NH2 3Å |
| 263 | K | 71.9 | Confident | 87.2 | Confident | 100 Ų | 100 | 61.8 Ų | 61.8 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -81.5 | -20.5 | 170.3 | -67.5 | 179.7 | -176.3 | 178.3 | 0 | 113.3 | T257 N259 T260 F261 A265 R268 | T257-K263 HydrophobicContact CG2-CG 3.98Å; T257-K263 WeakPolarHBondContact O-CE 3.49Å; N259-K263 WeakPolarHBondContact O-CG 3.33Å; N259-K263 PolarHBondContact O-N 3.08Å; T260-K263 WeakPolarHBondContact O-CB 3.25Å; T260-K263 PolarHBondContact O-N 3.1Å; F261-K263 PolarHBondContact O-N 3.47Å; K263-A265 PolarHBondContact O-N 3.45Å; K263-R268 PolarHBondContact O-NE 3.4Å |
| 264 | C | 88.9 | Confident | 86.9 | Confident | 46 Ų | 46 | 65 Ų | 65 | 31% | 0.311 | 31% | 0.309 | S | S | . | . | trans | -64.6 | 129.9 | -178.1 | -173.9 | 0 | 0 | 0 | 0 | 111 | F261 Y266 Y267 R268 | F261-C264 VanDerWaalsContact O-CB 3.26Å; F261-C264 WeakPolarHBondContact O-CB 3.36Å; F261-C264 PolarHBondContact O-N 2.72Å; F261-C264 VanDerWaalsContact O-N 3.14Å; C264-Y266 VanDerWaalsContact C-N 3.3Å; C264-Y266 PolarHBondContact O-N 3.23Å; C264-Y267 PolarHBondContact O-N 2.72Å; C264-R268 WeakPolarHBondContact O-CG 3.47Å; C264-R268 PolarHBondContact O-N 2.84Å | ||
| 265 | A | 95.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.1 | -38.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K184 E187 A188 L191 K263 Y267 R268 Y269 | K184-A265 HydrophobicContact CD-CB 4.12Å; K184-A265 WeakPolarHBondContact O-CB 3.36Å; E187-A265 HydrophobicContact CB-CB 3.76Å; E187-A265 HydrophobicContact CG-CB 3.67Å; A188-A265 HydrophobicContact CB-CB 4.05Å; L191-A265 HydrophobicContact CD1-CB 4.22Å; K263-A265 PolarHBondContact O-N 3.45Å; A265-Y267 PolarHBondContact O-N 3.03Å; A265-R268 PolarHBondContact O-N 3.48Å; A265-Y269 WeakPolarHBondContact O-CB 3.02Å; A265-Y269 PolarHBondContact O-N 2.9Å |
| 266 | Y | 96.4 | Very high | 86.8 | Confident | 20 Ų | 20 | 65.5 Ų | 65.5 | 8% | 0.078 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -53.3 | -50.7 | 173.4 | -179.8 | -81.3 | 0 | 0 | 0 | 112.2 | L191 V192 D207 F208 C264 R268 Y269 N270 | L191-Y266 HydrophobicContact CB-CD2 4.24Å; V192-Y266 HydrophobicContact CB-CE2 4.44Å; V192-Y266 HydrophobicContact CG2-CD2 3.67Å; V192-Y266 HydrophobicContact CG2-CE2 3.77Å; D207-Y266 HydrophobicContact CB-CE1 4.18Å; D207-Y266 WeakPolarHBondContact CB-OH 3.48Å; D207-Y266 WeakPolarHBondContact OD2-CE1 3.31Å; D207-Y266 PolarHBondContact OD2-OH 2.88Å; F208-Y266 HydrophobicContact CE2-CD2 4.45Å; F208-Y266 HydrophobicContact CE2-CE1 4.37Å; F208-Y266 AromaticContact CE2-CE2 3.75Å; F208-Y266 HydrophobicContact CE2-CE2 3.75Å; F208-Y266 AromaticContact CE2-CZ 3.7Å; F208-Y266 HydrophobicContact CZ-CE2 4.3Å; C264-Y266 VanDerWaalsContact C-N 3.3Å; C264-Y266 PolarHBondContact O-N 3.23Å; Y266-R268 VanDerWaalsContact C-N 3.35Å; Y266-R268 PolarHBondContact O-N 3.32Å; Y266-Y269 PolarHBondContact O-N 3.11Å; Y266-N270 WeakPolarHBondContact O-CB 3.46Å; Y266-N270 PolarHBondContact O-N 3.01Å |
| 267 | Y | 94.6 | Very high | 87 | Confident | 63 Ų | 63 | 60.4 Ų | 60.4 | 25% | 0.247 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66 | -38.1 | -178.6 | 175.4 | -91.4 | 0 | 0 | 0 | 112.1 | F261 R262 C264 A265 Y269 K271 | F261-Y267 HydrophobicContact CD1-CD2 4.02Å; F261-Y267 HydrophobicContact CD1-CE2 4.21Å; F261-Y267 HydrophobicContact CD1-CG 4.33Å; F261-Y267 AromaticContact CE1-CD2 3.23Å; F261-Y267 HydrophobicContact CE1-CD2 3.23Å; F261-Y267 AromaticContact CE1-CE2 3.44Å; F261-Y267 HydrophobicContact CE1-CE2 3.44Å; F261-Y267 VanDerWaalsContact CE1-CE2 3.44Å; F261-Y267 AromaticContact CE1-CG 3.93Å; F261-Y267 HydrophobicContact CE1-CG 3.93Å; F261-Y267 AromaticContact CZ-CD2 3.69Å; F261-Y267 HydrophobicContact CZ-CD2 3.69Å; F261-Y267 HydrophobicContact CZ-CE2 4.23Å; F261-Y267 HydrophobicContact CZ-CG 4.41Å; R262-Y267 HydrophobicContact CB-CD1 4.34Å; R262-Y267 HydrophobicContact CB-CE1 4.24Å; R262-Y267 HydrophobicContact CG-CD1 4.25Å; R262-Y267 HydrophobicContact CG-CE1 3.76Å; C264-Y267 PolarHBondContact O-N 2.72Å; A265-Y267 PolarHBondContact O-N 3.03Å; Y267-Y269 VanDerWaalsContact C-N 3.33Å; Y267-K271 PolarHBondContact O-N 2.71Å |
| 268 | R | 95.5 | Very high | 87.4 | Confident | 13 Ų | 13 | 65 Ų | 65 | 5% | 0.049 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 177.9 | -67.7 | 173.7 | -175.7 | -158.3 | -11.1 | 111.4 | V252 M253 E255 R262 K263 C264 A265 Y266 K271 Y272 | V252-R268 WeakPolarHBondContact CG1-O 3.46Å; M253-R268 HydrophobicContact CE-CB 4.42Å; M253-R268 VanDerWaalsContact O-CD 3.27Å; M253-R268 WeakPolarHBondContact O-CD 3.46Å; M253-R268 PolarHBondContact O-NH1 3.29Å; M253-R268 HydrophobicContact SD-CB 3.84Å; E255-R268 VanDerWaalsContact O-CZ 3.25Å; E255-R268 PolarHBondContact O-NH1 3.09Å; E255-R268 PolarHBondContact O-NH2 3.38Å; R262-R268 PolarHBondContact O-NE 2.9Å; R262-R268 PolarHBondContact O-NH2 3Å; K263-R268 PolarHBondContact O-NE 3.4Å; C264-R268 WeakPolarHBondContact O-CG 3.47Å; C264-R268 PolarHBondContact O-N 2.84Å; A265-R268 PolarHBondContact O-N 3.48Å; Y266-R268 VanDerWaalsContact C-N 3.35Å; Y266-R268 PolarHBondContact O-N 3.32Å; R268-K271 WeakPolarHBondContact O-CB 3.3Å; R268-K271 PolarHBondContact O-N 3.31Å; R268-Y272 PolarHBondContact O-N 3.5Å |
| 269 | Y | 97.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.2 | -41.6 | 178.9 | -175.7 | -131 | 0 | 0 | 0 | 112 | A188 F189 F208 L227 I231 M253 A265 Y266 Y267 K271 Y272 V273 | A188-Y269 HydrophobicContact CB-CD1 4.16Å; A188-Y269 HydrophobicContact CB-CG 4.12Å; F189-Y269 HydrophobicContact CE2-CD1 4.46Å; F189-Y269 AromaticContact CE2-CE1 3.85Å; F189-Y269 HydrophobicContact CE2-CE1 3.85Å; F189-Y269 AromaticContact CE2-CZ 3.97Å; F189-Y269 HydrophobicContact CZ-CE1 4.05Å; F208-Y269 AromaticContact CE1-CD1 3.69Å; F208-Y269 HydrophobicContact CE1-CD1 3.69Å; F208-Y269 AromaticContact CE1-CE1 3.92Å; F208-Y269 HydrophobicContact CE1-CE1 3.92Å; F208-Y269 HydrophobicContact CE1-CG 4.4Å; F208-Y269 AromaticContact CZ-CD1 4Å; F208-Y269 HydrophobicContact CZ-CD1 4Å; F208-Y269 HydrophobicContact CZ-CE1 4.45Å; L227-Y269 WeakPolarHBondContact CA-OH 3.34Å; L227-Y269 HydrophobicContact CB-CE1 4.04Å; L227-Y269 VanDerWaalsContact CB-OH 3.24Å; L227-Y269 WeakPolarHBondContact CB-OH 3.29Å; L227-Y269 HydrophobicContact CD1-CE1 4.23Å; L227-Y269 HydrophobicContact CD2-CE1 3.92Å; L227-Y269 HydrophobicContact CG-CE1 4.27Å; L227-Y269 PolarHBondContact O-OH 2.94Å; I231-Y269 HydrophobicContact CD1-CD2 4.19Å; I231-Y269 HydrophobicContact CD1-CE2 3.61Å; I231-Y269 HydrophobicContact CG1-CE2 3.77Å; M253-Y269 HydrophobicContact SD-CD2 4.46Å; A265-Y269 WeakPolarHBondContact O-CB 3.02Å; A265-Y269 PolarHBondContact O-N 2.9Å; Y266-Y269 PolarHBondContact O-N 3.11Å; Y267-Y269 VanDerWaalsContact C-N 3.33Å; Y269-K271 VanDerWaalsContact C-N 3.34Å; Y269-K271 PolarHBondContact O-N 3.14Å; Y269-Y272 HydrophobicContact CD2-CD1 4.36Å; Y269-Y272 HydrophobicContact CE2-CD1 4.22Å; Y269-Y272 WeakPolarHBondContact O-CA 3.43Å; Y269-Y272 WeakPolarHBondContact O-CB 3.32Å; Y269-Y272 PolarHBondContact O-N 3.33Å; Y269-V273 HydrophobicContact CD2-CG2 4.18Å; Y269-V273 HydrophobicContact CE1-CG2 4.16Å; Y269-V273 HydrophobicContact CE2-CG2 3.68Å; Y269-V273 WeakPolarHBondContact O-CG2 3.3Å; Y269-V273 PolarHBondContact O-N 2.91Å |
| 270 | N | 96.1 | Very high | 87.9 | Confident | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -50.9 | -52.6 | 167.5 | 170.1 | -36 | 0 | 0 | 0 | 111.3 | D207 F208 Y266 Y272 V273 Q274 | D207-N270 VanDerWaalsContact C-ND2 3.27Å; D207-N270 WeakPolarHBondContact CA-ND2 3.3Å; D207-N270 VanDerWaalsContact CB-ND2 3.29Å; D207-N270 WeakPolarHBondContact CB-ND2 3.33Å; D207-N270 PolarHBondContact O-ND2 3.07Å; D207-N270 PolarHBondContact O-OD1 2.78Å; F208-N270 HydrophobicContact CE1-CB 4.11Å; F208-N270 HydrophobicContact CZ-CB 4.29Å; Y266-N270 WeakPolarHBondContact O-CB 3.46Å; Y266-N270 PolarHBondContact O-N 3.01Å; N270-Y272 PolarHBondContact O-N 3.13Å; N270-V273 PolarHBondContact O-N 3.12Å; N270-V273 VanDerWaalsContact O-N 3.11Å; N270-Q274 WeakPolarHBondContact O-CG 3.34Å; N270-Q274 PolarHBondContact O-N 3.29Å |
| 271 | K | 94.8 | Very high | 88.2 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 30% | 0.304 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54.7 | -42.2 | 177.5 | 175.3 | -177.1 | 169.1 | -173.2 | 0 | 111.6 | V252 E255 Y267 R268 Y269 Q274 M275 | V252-K271 HydrophobicContact CG1-CB 4.47Å; V252-K271 HydrophobicContact CG1-CD 4.18Å; V252-K271 HydrophobicContact CG1-CG 4.31Å; E255-K271 IonicContact OE1-NZ 3.59Å; E255-K271 IonicContact OE2-NZ 3.73Å; E255-K271 PolarHBondContact OE2-NZ 3.41Å; Y267-K271 PolarHBondContact O-N 2.71Å; R268-K271 WeakPolarHBondContact O-CB 3.3Å; R268-K271 PolarHBondContact O-N 3.31Å; Y269-K271 VanDerWaalsContact C-N 3.34Å; Y269-K271 PolarHBondContact O-N 3.14Å; K271-Q274 PolarHBondContact O-N 3.29Å; K271-M275 HydrophobicContact CG-SD 4.34Å; K271-M275 VanDerWaalsContact O-CG 3.32Å; K271-M275 WeakPolarHBondContact O-CG 3.41Å; K271-M275 PolarHBondContact O-N 2.94Å |
| 272 | Y | 95.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 177.3 | -177 | -101.9 | 0 | 0 | 0 | 112.4 | I230 S234 M244 L249 V252 R268 Y269 N270 Q274 M275 Y276 | I230-Y272 HydrophobicContact CG2-CD1 4.17Å; I230-Y272 HydrophobicContact CG2-CE1 3.76Å; S234-Y272 WeakPolarHBondContact CB-OH 3.32Å; S234-Y272 PolarHBondContact OG-OH 3.13Å; M244-Y272 HydrophobicContact CB-CE2 4.09Å; M244-Y272 VanDerWaalsContact CB-OH 3.29Å; M244-Y272 WeakPolarHBondContact CB-OH 3.42Å; M244-Y272 HydrophobicContact CE-CD2 4.03Å; M244-Y272 HydrophobicContact CE-CE2 3.57Å; M244-Y272 HydrophobicContact CG-CE2 4.42Å; M244-Y272 HydrophobicContact SD-CD2 4Å; M244-Y272 HydrophobicContact SD-CE2 3.43Å; M244-Y272 WeakPolarHBondContact SD-CE2 3.31Å; L249-Y272 HydrophobicContact CB-CD2 4.35Å; L249-Y272 HydrophobicContact CB-CE1 4.41Å; L249-Y272 HydrophobicContact CB-CE2 3.63Å; L249-Y272 HydrophobicContact CD1-CD1 3.61Å; L249-Y272 HydrophobicContact CD1-CD2 3.9Å; L249-Y272 HydrophobicContact CD1-CE1 3.54Å; L249-Y272 HydrophobicContact CD1-CE2 3.85Å; L249-Y272 HydrophobicContact CD1-CG 3.76Å; L249-Y272 HydrophobicContact CG-CE1 4.39Å; L249-Y272 HydrophobicContact CG-CE2 4.32Å; V252-Y272 HydrophobicContact CB-CD2 4.35Å; V252-Y272 HydrophobicContact CG2-CD2 4.27Å; R268-Y272 PolarHBondContact O-N 3.5Å; Y269-Y272 HydrophobicContact CD2-CD1 4.36Å; Y269-Y272 HydrophobicContact CE2-CD1 4.22Å; Y269-Y272 WeakPolarHBondContact O-CA 3.43Å; Y269-Y272 WeakPolarHBondContact O-CB 3.32Å; Y269-Y272 PolarHBondContact O-N 3.33Å; N270-Y272 PolarHBondContact O-N 3.13Å; Y272-Q274 VanDerWaalsContact C-N 3.29Å; Y272-Q274 PolarHBondContact O-N 2.92Å; Y272-M275 WeakPolarHBondContact O-CB 3.35Å; Y272-M275 PolarHBondContact O-N 2.86Å; Y272-M275 VanDerWaalsContact O-N 3.07Å; Y272-Y276 PolarHBondContact O-N 3.21Å |
| 273 | V | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.2 | -40.7 | 176.1 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | F208 L227 I230 Y269 N270 M275 Y276 H277 | F208-V273 HydrophobicContact CD1-CB 4.06Å; F208-V273 HydrophobicContact CD1-CG1 4.07Å; F208-V273 HydrophobicContact CD1-CG2 3.94Å; F208-V273 HydrophobicContact CE1-CG2 4.09Å; L227-V273 HydrophobicContact CD2-CG1 4.49Å; L227-V273 HydrophobicContact CD2-CG2 3.91Å; I230-V273 HydrophobicContact CD1-CB 4.44Å; I230-V273 HydrophobicContact CD1-CG1 3.92Å; I230-V273 HydrophobicContact CD1-CG2 3.99Å; Y269-V273 HydrophobicContact CD2-CG2 4.18Å; Y269-V273 HydrophobicContact CE1-CG2 4.16Å; Y269-V273 HydrophobicContact CE2-CG2 3.68Å; Y269-V273 WeakPolarHBondContact O-CG2 3.3Å; Y269-V273 PolarHBondContact O-N 2.91Å; N270-V273 PolarHBondContact O-N 3.12Å; N270-V273 VanDerWaalsContact O-N 3.11Å; V273-M275 PolarHBondContact O-N 3.11Å; V273-Y276 WeakPolarHBondContact O-CB 3.46Å; V273-Y276 PolarHBondContact O-N 3.15Å; V273-H277 VanDerWaalsContact CG1-CD2 3.48Å; V273-H277 WeakPolarHBondContact CG1-CD2 3.2Å; V273-H277 PolarHBondContact O-CD2 3.21Å; V273-H277 PolarHBondContact O-N 3.17Å |
| 274 | Q | 92.2 | Very high | 90.3 | Very high | 68 Ų | 68 | 53 Ų | 53 | 32% | 0.318 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 174.1 | -64.2 | -63.8 | -25.1 | 0 | 0 | 112.6 | D207 N270 K271 Y272 N278 | D207-Q274 PolarHBondContact O-NE2 3.25Å; N270-Q274 WeakPolarHBondContact O-CG 3.34Å; N270-Q274 PolarHBondContact O-N 3.29Å; K271-Q274 PolarHBondContact O-N 3.29Å; Y272-Q274 VanDerWaalsContact C-N 3.29Å; Y272-Q274 PolarHBondContact O-N 2.92Å; Q274-N278 VanDerWaalsContact O-CG 3.26Å; Q274-N278 PolarHBondContact O-N 3.21Å; Q274-N278 VanDerWaalsContact O-N 3.13Å; Q274-N278 PolarHBondContact O-ND2 2.98Å |
| 275 | M | 91.8 | Very high | 90.5 | Very high | 74 Ų | 74 | 51.4 Ų | 51.4 | 37% | 0.365 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 173.8 | -70.6 | 172.5 | 68 | 0 | 0 | 111.3 | M244 V252 K271 Y272 V273 N278 | M244-M275 HydrophobicContact CE-CB 4.06Å; M244-M275 HydrophobicContact CE-CE 3.61Å; M244-M275 HydrophobicContact CE-SD 4.5Å; M244-M275 HydrophobicContact SD-CB 3.86Å; V252-M275 HydrophobicContact CG2-CE 4.32Å; V252-M275 HydrophobicContact CG2-SD 3.81Å; K271-M275 HydrophobicContact CG-SD 4.34Å; K271-M275 VanDerWaalsContact O-CG 3.32Å; K271-M275 WeakPolarHBondContact O-CG 3.41Å; K271-M275 PolarHBondContact O-N 2.94Å; Y272-M275 WeakPolarHBondContact O-CB 3.35Å; Y272-M275 PolarHBondContact O-N 2.86Å; Y272-M275 VanDerWaalsContact O-N 3.07Å; V273-M275 PolarHBondContact O-N 3.11Å; M275-N278 PolarHBondContact O-N 3.47Å |
| 276 | Y | 90.7 | Very high | 90.3 | Very high | 46 Ų | 46 | 53.1 Ų | 53.1 | 18% | 0.18 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 176.1 | -176.1 | -85.7 | 0 | 0 | 0 | 111.2 | I230 L243 Y272 V273 N278 T279 S280 | I230-Y276 HydrophobicContact CD1-CD1 4.26Å; I230-Y276 HydrophobicContact CG1-CD1 3.94Å; I230-Y276 HydrophobicContact CG1-CE1 3.94Å; I230-Y276 HydrophobicContact CG1-CG 4.39Å; I230-Y276 HydrophobicContact CG2-CD1 4.18Å; I230-Y276 HydrophobicContact CG2-CD2 3.81Å; I230-Y276 HydrophobicContact CG2-CE2 4.25Å; I230-Y276 HydrophobicContact CG2-CG 3.77Å; L243-Y276 HydrophobicContact CD2-CE2 3.84Å; Y272-Y276 PolarHBondContact O-N 3.21Å; V273-Y276 WeakPolarHBondContact O-CB 3.46Å; V273-Y276 PolarHBondContact O-N 3.15Å; Y276-N278 VanDerWaalsContact C-N 3.28Å; Y276-N278 PolarHBondContact O-N 3.39Å; Y276-T279 WeakPolarHBondContact O-CA 3.22Å; Y276-T279 WeakPolarHBondContact O-CB 3.44Å; Y276-T279 PolarHBondContact O-N 2.9Å; Y276-T279 PolarHBondContact O-OG1 3.17Å; Y276-S280 PolarHBondContact O-N 3.31Å |
| 277 | H | 87.6 | Confident | 90.3 | Very high | 19 Ų | 19 | 52.2 Ų | 52.2 | 9% | 0.088 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.4 | -37.3 | 177.4 | -82.6 | -59.8 | 0 | 0 | 0 | 113.3 | V273 T279 S280 | V273-H277 VanDerWaalsContact CG1-CD2 3.48Å; V273-H277 WeakPolarHBondContact CG1-CD2 3.2Å; V273-H277 PolarHBondContact O-CD2 3.21Å; V273-H277 PolarHBondContact O-N 3.17Å; H277-T279 PolarHBondContact O-N 3.16Å; H277-T279 VanDerWaalsContact O-N 3.17Å; H277-S280 PolarHBondContact O-N 2.67Å; H277-S280 VanDerWaalsContact O-O 3.05Å; H277-S280 PolarHBondContact O-OG 3.43Å |
| 278 | N | 86.3 | Confident | 90.3 | Very high | 135 Ų | 135 | 49.7 Ų | 49.7 | 72% | 0.722 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14 | 175.9 | -71.1 | -35.4 | 0 | 0 | 0 | 113.9 | Q274 M275 Y276 | Q274-N278 VanDerWaalsContact O-CG 3.26Å; Q274-N278 PolarHBondContact O-N 3.21Å; Q274-N278 VanDerWaalsContact O-N 3.13Å; Q274-N278 PolarHBondContact O-ND2 2.98Å; M275-N278 PolarHBondContact O-N 3.47Å; Y276-N278 VanDerWaalsContact C-N 3.28Å; Y276-N278 PolarHBondContact O-N 3.39Å |
| 279 | T | 83.6 | Confident | 90.2 | Very high | 75 Ų | 75 | 50.9 Ų | 50.9 | 46% | 0.46 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -8.6 | 171.6 | 67.5 | 0 | 0 | 0 | 0 | 113.1 | Y276 H277 | Y276-T279 WeakPolarHBondContact O-CA 3.22Å; Y276-T279 WeakPolarHBondContact O-CB 3.44Å; Y276-T279 PolarHBondContact O-N 2.9Å; Y276-T279 PolarHBondContact O-OG1 3.17Å; H277-T279 PolarHBondContact O-N 3.16Å; H277-T279 VanDerWaalsContact O-N 3.17Å |
| 280 | S | 77.6 | Confident | 90.1 | Very high | 38 Ų | 38 | 58.2 Ų | 58.2 | 27% | 0.266 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -102.2 | 154.2 | 178.3 | 77.1 | 0 | 0 | 0 | 0 | 111.5 | Y276 H277 E282 | Y276-S280 PolarHBondContact O-N 3.31Å; H277-S280 PolarHBondContact O-N 2.67Å; H277-S280 VanDerWaalsContact O-O 3.05Å; H277-S280 PolarHBondContact O-OG 3.43Å; S280-E282 PolarHBondContact O-N 2.91Å; S280-E282 PolarHBondContact OG-N 2.91Å |
| 281 | D | 78 | Confident | 89.9 | Confident | 171 Ų | 171 | 59.9 Ų | 59.9 | 91% | 0.914 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -81.3 | 3 | 170.8 | -71.4 | -32.2 | 0 | 0 | 0 | 112.7 | ||
| 282 | E | 81.1 | Confident | 89.8 | Confident | 96 Ų | 96 | 58.1 Ų | 58.1 | 45% | 0.449 | 31% | 0.312 | S | S | . | . | trans | -83 | 132.1 | -178.9 | -63.2 | -159.8 | 150.4 | 0 | 0 | 111.5 | S280 C284 R305 | S280-E282 PolarHBondContact O-N 2.91Å; S280-E282 PolarHBondContact OG-N 2.91Å; E282-C284 VanDerWaalsContact C-N 3.35Å; E282-C284 PolarHBondContact O-N 2.82Å; E282-R305 IonicContact OE1-NH2 3.33Å; E282-R305 PolarHBondContact OE1-NH2 3.41Å | ||
| 283 | S | 85.4 | Confident | 89.8 | Confident | 123 Ų | 123 | 58.9 Ų | 58.9 | 86% | 0.86 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -76.7 | -19.9 | -176.9 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 284 | C | 91.9 | Very high | 89.7 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -166.2 | 163.2 | -177.3 | 52.9 | 0 | 0 | 0 | 0 | 110.5 | G209 C211 E282 D286 | G209-C284 CarbonylContact O-C 3.59Å; G209-C284 VanDerWaalsContact O-CA 3.29Å; G209-C284 WeakPolarHBondContact O-CA 3.42Å; G209-C284 VanDerWaalsContact O-CB 3.24Å; G209-C284 WeakPolarHBondContact O-CB 3.44Å; C211-C284 WeakPolarHBondContact CA-SG 3.41Å; C211-C284 HydrophobicContact CB-CB 3.98Å; C211-C284 WeakPolarHBondContact CB-SG 3.38Å; C211-C284 WeakPolarHBondContact SG-CB 3.3Å; C211-C284 PolarHBondContact SG-O 3.25Å; C211-C284 CovalentContact SG-SG 2.03Å; C211-C284 PolarHBondContact SG-SG 3.05Å; E282-C284 VanDerWaalsContact C-N 3.35Å; E282-C284 PolarHBondContact O-N 2.82Å; C284-D286 PolarHBondContact O-N 3.35Å |
| 285 | L | 92.9 | Very high | 89.7 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -80.8 | 111 | 173.7 | -168.8 | 64.5 | 0 | 0 | 0 | 110.4 | G209 C210 C211 L223 N226 L227 V287 | G209-L285 PolarHBondContact O-N 3.2Å; C210-L285 CarbonylContact C-O 3.51Å; C210-L285 VanDerWaalsContact CA-O 3.25Å; C210-L285 WeakPolarHBondContact CA-O 3.47Å; C211-L285 PolarHBondContact N-O 2.96Å; C211-L285 VanDerWaalsContact SG-C 3.52Å; L223-L285 HydrophobicContact CD1-CD2 3.98Å; N226-L285 HydrophobicContact CB-CD1 3.77Å; N226-L285 HydrophobicContact CB-CD2 4.05Å; N226-L285 HydrophobicContact CB-CG 4.12Å; L227-L285 HydrophobicContact CD2-CD2 4.21Å; L285-V287 HydrophobicContact CD2-CG1 4.12Å; L285-V287 HydrophobicContact CG-CG1 4.01Å; L285-V287 PolarHBondContact O-N 2.87Å |
| 286 | D | 92.5 | Very high | 89.8 | Confident | 37 Ų | 37 | 60.4 Ų | 60.4 | 20% | 0.198 | 32% | 0.322 | C | S | . | . | trans | -76.8 | 112.3 | 176.8 | -171.2 | 2.2 | 0 | 0 | 0 | 110.5 | N226 C284 S288 | N226-D286 PolarHBondContact ND2-O 2.87Å; C284-D286 PolarHBondContact O-N 3.35Å; D286-S288 WeakPolarHBondContact OD1-CB 3.48Å; D286-S288 PolarHBondContact OD1-N 2.76Å | ||
| 287 | V | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -112.9 | 18 | -177.3 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | C210 Q212 P214 D219 L223 L285 | C210-V287 HydrophobicContact CB-CG1 4.26Å; C210-V287 HydrophobicContact CB-CG2 4.03Å; Q212-V287 HydrophobicContact CG-CG2 3.86Å; P214-V287 HydrophobicContact CB-CG2 4.23Å; D219-V287 WeakPolarHBondContact CA-O 3.23Å; D219-V287 WeakPolarHBondContact CB-O 3.16Å; L223-V287 HydrophobicContact CB-CB 4.17Å; L223-V287 HydrophobicContact CB-CG1 3.85Å; L223-V287 HydrophobicContact CD1-CG1 3.9Å; L223-V287 HydrophobicContact CG-CG1 4.48Å; L285-V287 HydrophobicContact CD2-CG1 4.12Å; L285-V287 HydrophobicContact CG-CG1 4.01Å; L285-V287 PolarHBondContact O-N 2.87Å | ||
| 288 | S | 95.3 | Very high | 90.1 | Very high | 11 Ų | 11 | 65 Ų | 65 | 8% | 0.077 | 35% | 0.349 | C | S | . | . | trans | -86.7 | 108.7 | -179.3 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | Q212 D286 E290 E291 T292 | Q212-S288 VanDerWaalsContact CD-CB 3.49Å; Q212-S288 PolarHBondContact NE2-OG 3.05Å; D286-S288 WeakPolarHBondContact OD1-CB 3.48Å; D286-S288 PolarHBondContact OD1-N 2.76Å; S288-E290 PolarHBondContact O-N 3.35Å; S288-E291 PolarHBondContact O-N 2.93Å; S288-E291 VanDerWaalsContact O-N 3.15Å; S288-E291 PolarHBondContact OG-N 3.14Å; S288-E291 VanDerWaalsContact OG-N 3.17Å; S288-T292 PolarHBondContact O-N 2.97Å; S288-T292 PolarHBondContact O-OG1 3.48Å | ||
| 289 | H | 94 | Very high | 90.4 | Very high | 37 Ų | 37 | 61 Ų | 61 | 17% | 0.171 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.4 | -37 | 174.3 | -173.8 | 67.5 | 0 | 0 | 0 | 111.4 | D218 D219 E222 E291 T292 V293 | D218-H289 HydrophobicContact CB-CB 3.77Å; D219-H289 PolarHBondContact OD1-N 3.26Å; D219-H289 VanDerWaalsContact OD1-N 3.16Å; E222-H289 IonicContact OE2-CG 3.86Å; E222-H289 IonicContact OE2-ND1 3.82Å; E222-H289 PolarHBondContact OE2-ND1 3.38Å; H289-E291 PolarHBondContact O-N 3.24Å; H289-T292 PolarHBondContact O-N 3Å; H289-V293 VanDerWaalsContact O-CG2 3.3Å; H289-V293 WeakPolarHBondContact O-CG2 3.32Å; H289-V293 PolarHBondContact O-N 3.01Å |
| 290 | E | 94.1 | Very high | 90.5 | Very high | 154 Ų | 154 | 59.6 Ų | 59.6 | 72% | 0.72 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.8 | -41.8 | 176.1 | -174.9 | 177.2 | -179.3 | 0 | 0 | 111.9 | S288 V293 K294 | S288-E290 PolarHBondContact O-N 3.35Å; E290-V293 PolarHBondContact O-N 2.88Å; E290-K294 VanDerWaalsContact O-CB 3.3Å; E290-K294 WeakPolarHBondContact O-CB 3.48Å; E290-K294 PolarHBondContact O-N 3Å |
| 291 | E | 92.8 | Very high | 90.3 | Very high | 59 Ų | 59 | 61.3 Ų | 61.3 | 28% | 0.276 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.5 | -38 | 178 | -163.7 | 60.5 | -149.5 | 0 | 0 | 111.2 | S288 H289 V293 K294 N295 | S288-E291 PolarHBondContact O-N 2.93Å; S288-E291 VanDerWaalsContact O-N 3.15Å; S288-E291 PolarHBondContact OG-N 3.14Å; S288-E291 VanDerWaalsContact OG-N 3.17Å; H289-E291 PolarHBondContact O-N 3.24Å; E291-V293 PolarHBondContact O-N 3.4Å; E291-K294 PolarHBondContact O-N 3.31Å; E291-K294 IonicContact OE1-NZ 3.68Å; E291-K294 PolarHBondContact OE1-NZ 2.89Å; E291-K294 IonicContact OE2-NZ 2.7Å; E291-K294 PolarHBondContact OE2-NZ 2.95Å; E291-N295 WeakPolarHBondContact O-CB 3.5Å; E291-N295 VanDerWaalsContact O-CG 3.22Å; E291-N295 PolarHBondContact O-N 3.16Å; E291-N295 PolarHBondContact O-ND2 2.59Å; E291-N295 VanDerWaalsContact O-ND2 3.11Å |
| 292 | T | 92.5 | Very high | 90.1 | Very high | 32 Ų | 32 | 61.1 Ų | 61.1 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.4 | -49.8 | 170.6 | -66.3 | 0 | 0 | 0 | 0 | 110.9 | E222 S288 H289 K294 N295 L296 | E222-T292 WeakPolarHBondContact OE1-CB 3.39Å; E222-T292 WeakPolarHBondContact OE1-CG2 3.43Å; E222-T292 PolarHBondContact OE1-OG1 2.95Å; S288-T292 PolarHBondContact O-N 2.97Å; S288-T292 PolarHBondContact O-OG1 3.48Å; H289-T292 PolarHBondContact O-N 3Å; T292-K294 VanDerWaalsContact C-N 3.35Å; T292-K294 PolarHBondContact O-N 3.17Å; T292-N295 PolarHBondContact O-N 3.04Å; T292-L296 HydrophobicContact CG2-CD1 4.1Å; T292-L296 WeakPolarHBondContact O-CG 3.49Å; T292-L296 PolarHBondContact O-N 2.82Å |
| 293 | V | 94.8 | Very high | 89.7 | Confident | 17 Ų | 17 | 57.7 Ų | 57.7 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 176.3 | 172.5 | 0 | 0 | 0 | 0 | 111 | H289 E290 E291 L296 M297 I344 K347 V348 | H289-V293 VanDerWaalsContact O-CG2 3.3Å; H289-V293 WeakPolarHBondContact O-CG2 3.32Å; H289-V293 PolarHBondContact O-N 3.01Å; E290-V293 PolarHBondContact O-N 2.88Å; E291-V293 PolarHBondContact O-N 3.4Å; V293-L296 PolarHBondContact O-N 3.46Å; V293-M297 HydrophobicContact CG1-CG 4.22Å; V293-M297 WeakPolarHBondContact O-CB 3.45Å; V293-M297 WeakPolarHBondContact O-CG 3.48Å; V293-M297 PolarHBondContact O-N 3.27Å; V293-I344 HydrophobicContact CB-CD1 4.5Å; V293-I344 HydrophobicContact CG2-CD1 3.7Å; V293-K347 HydrophobicContact CG1-CG 3.84Å; V293-K347 HydrophobicContact CG2-CG 4.48Å; V293-V348 HydrophobicContact CG1-CG2 4.46Å |
| 294 | K | 93.8 | Very high | 88.9 | Confident | 121 Ų | 121 | 63.5 Ų | 63.5 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 179.6 | 175.6 | 165.6 | 153.4 | -102.5 | 0 | 112.4 | E290 E291 T292 M297 D298 | E290-K294 VanDerWaalsContact O-CB 3.3Å; E290-K294 WeakPolarHBondContact O-CB 3.48Å; E290-K294 PolarHBondContact O-N 3Å; E291-K294 PolarHBondContact O-N 3.31Å; E291-K294 IonicContact OE1-NZ 3.68Å; E291-K294 PolarHBondContact OE1-NZ 2.89Å; E291-K294 IonicContact OE2-NZ 2.7Å; E291-K294 PolarHBondContact OE2-NZ 2.95Å; T292-K294 VanDerWaalsContact C-N 3.35Å; T292-K294 PolarHBondContact O-N 3.17Å; K294-M297 PolarHBondContact O-N 3.26Å; K294-D298 PolarHBondContact O-N 2.56Å |
| 295 | N | 91.6 | Very high | 87.8 | Confident | 40 Ų | 40 | 65.5 Ų | 65.5 | 21% | 0.214 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 175.1 | -75.1 | -36.5 | 0 | 0 | 0 | 111.1 | E291 T292 M297 D298 R305 | E291-N295 WeakPolarHBondContact O-CB 3.5Å; E291-N295 VanDerWaalsContact O-CG 3.22Å; E291-N295 PolarHBondContact O-N 3.16Å; E291-N295 PolarHBondContact O-ND2 2.59Å; E291-N295 VanDerWaalsContact O-ND2 3.11Å; T292-N295 PolarHBondContact O-N 3.04Å; N295-M297 VanDerWaalsContact C-N 3.26Å; N295-M297 PolarHBondContact O-N 2.99Å; N295-D298 WeakPolarHBondContact O-CB 3Å; N295-D298 PolarHBondContact O-N 3.37Å; N295-D298 VanDerWaalsContact O-N 3.13Å; N295-R305 PolarHBondContact ND2-NH1 2.94Å |
| 296 | L | 93.9 | Very high | 87.2 | Confident | 12 Ų | 12 | 67.9 Ų | 67.9 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.2 | -24.3 | 176.8 | -71.3 | 171 | 0 | 0 | 0 | 112.8 | T292 V293 D298 E308 R309 I344 V348 | T292-L296 HydrophobicContact CG2-CD1 4.1Å; T292-L296 WeakPolarHBondContact O-CG 3.49Å; T292-L296 PolarHBondContact O-N 2.82Å; V293-L296 PolarHBondContact O-N 3.46Å; L296-D298 VanDerWaalsContact C-N 3.31Å; L296-E308 HydrophobicContact CD2-CB 4.12Å; L296-R309 HydrophobicContact CD2-CB 4.31Å; L296-R309 WeakPolarHBondContact O-CD 3.35Å; L296-R309 WeakPolarHBondContact O-CG 3.15Å; L296-R309 PolarHBondContact O-NH1 2.85Å; L296-I344 HydrophobicContact CD1-CD1 3.7Å; L296-I344 HydrophobicContact CD1-CG1 3.56Å; L296-V348 HydrophobicContact CB-CG1 4.1Å; L296-V348 HydrophobicContact CB-CG2 4.02Å; L296-V348 WeakPolarHBondContact O-CG1 3.39Å |
| 297 | M | 93.3 | Very high | 87.1 | Confident | 97 Ų | 97 | 67.6 Ų | 67.6 | 48% | 0.478 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -78.5 | -12 | 173 | -73.1 | -70.6 | -73.9 | 0 | 0 | 113.3 | V293 K294 N295 T299 V348 | V293-M297 HydrophobicContact CG1-CG 4.22Å; V293-M297 WeakPolarHBondContact O-CB 3.45Å; V293-M297 WeakPolarHBondContact O-CG 3.48Å; V293-M297 PolarHBondContact O-N 3.27Å; K294-M297 PolarHBondContact O-N 3.26Å; N295-M297 VanDerWaalsContact C-N 3.26Å; N295-M297 PolarHBondContact O-N 2.99Å; M297-T299 PolarHBondContact O-N 3.48Å; M297-V348 HydrophobicContact CG-CG2 4.38Å; M297-V348 HydrophobicContact SD-CB 4.22Å; M297-V348 HydrophobicContact SD-CG1 4.02Å; M297-V348 HydrophobicContact SD-CG2 4.35Å |
| 298 | D | 91.3 | Very high | 87 | Confident | 64 Ų | 64 | 71.8 Ų | 71.8 | 34% | 0.342 | 34% | 0.341 | S | S | . | . | trans | -68.2 | 118.7 | 173.8 | -174.6 | 6 | 0 | 0 | 0 | 110.3 | K294 N295 L296 S300 S303 R309 | K294-D298 PolarHBondContact O-N 2.56Å; N295-D298 WeakPolarHBondContact O-CB 3Å; N295-D298 PolarHBondContact O-N 3.37Å; N295-D298 VanDerWaalsContact O-N 3.13Å; L296-D298 VanDerWaalsContact C-N 3.31Å; D298-S300 WeakPolarHBondContact OD1-CB 3.08Å; D298-S300 PolarHBondContact OD1-N 3.17Å; D298-S303 VanDerWaalsContact OD2-CB 3.31Å; D298-S303 WeakPolarHBondContact OD2-CB 3.4Å; D298-S303 PolarHBondContact OD2-OG 3.36Å; D298-R309 VanDerWaalsContact O-CD 3.22Å; D298-R309 WeakPolarHBondContact O-CD 3.24Å | ||
| 299 | T | 91.6 | Very high | 87 | Confident | 52 Ų | 52 | 71.5 Ų | 71.5 | 32% | 0.319 | 34% | 0.338 | S | S | . | . | trans | -100.7 | 3.7 | -178.9 | 57.8 | 0 | 0 | 0 | 0 | 112.6 | L84 K85 M297 H301 | L84-T299 PolarHBondContact N-O 3.27Å; K85-T299 HydrophobicContact CG-CG2 4.39Å; M297-T299 PolarHBondContact O-N 3.48Å; T299-H301 PolarHBondContact O-N 3.11Å | ||
| 300 | S | 86 | Confident | 87.1 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | trans | -66.3 | 127.6 | -179.7 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | D298 K302 S303 | D298-S300 WeakPolarHBondContact OD1-CB 3.08Å; D298-S300 PolarHBondContact OD1-N 3.17Å; S300-K302 PolarHBondContact O-N 3.24Å; S300-K302 VanDerWaalsContact O-N 3.09Å; S300-K302 PolarHBondContact OG-N 3.3Å; S300-S303 PolarHBondContact O-N 2.98Å | ||
| 301 | H | 74.8 | Confident | 87.3 | Confident | 74 Ų | 74 | 65 Ų | 65 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -11 | 174.3 | 67.3 | -91.1 | 0 | 0 | 0 | 113.3 | T299 R306 | T299-H301 PolarHBondContact O-N 3.11Å; H301-R306 WeakPolarHBondContact O-CD 3.44Å; H301-R306 PolarHBondContact O-NH1 3.14Å |
| 302 | K | 72.9 | Confident | 87.5 | Confident | 166 Ų | 166 | 63.4 Ų | 63.4 | 72% | 0.722 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -1.2 | 179.5 | -60.2 | -173.7 | -179.9 | 178.1 | 0 | 113.8 | S300 | S300-K302 PolarHBondContact O-N 3.24Å; S300-K302 VanDerWaalsContact O-N 3.09Å; S300-K302 PolarHBondContact OG-N 3.3Å |
| 303 | S | 73.4 | Confident | 87.8 | Confident | 25 Ų | 25 | 63.1 Ų | 63.1 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | trans | -64.3 | 139.5 | -178.8 | -174 | 0 | 0 | 0 | 0 | 111.5 | D298 S300 R305 R306 | D298-S303 VanDerWaalsContact OD2-CB 3.31Å; D298-S303 WeakPolarHBondContact OD2-CB 3.4Å; D298-S303 PolarHBondContact OD2-OG 3.36Å; S300-S303 PolarHBondContact O-N 2.98Å; S303-R305 VanDerWaalsContact C-N 3.28Å; S303-R305 PolarHBondContact O-N 3.41Å; S303-R305 PolarHBondContact OG-N 3.39Å; S303-R306 WeakPolarHBondContact O-CB 3.21Å; S303-R306 WeakPolarHBondContact O-CD 3.49Å; S303-R306 VanDerWaalsContact O-CG 3.3Å; S303-R306 WeakPolarHBondContact O-CG 3.18Å; S303-R306 PolarHBondContact O-N 3.03Å | ||
| 304 | R | 66.8 | Low | 87.9 | Confident | 245 Ų | 245 | 62.3 Ų | 62.3 | 93% | 0.925 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -31.3 | 174.8 | -79.4 | -178.5 | 65.5 | 139.7 | -2.8 | 112 | ||
| 305 | R | 69.8 | Low | 88.1 | Confident | 75 Ų | 75 | 57.1 Ų | 57.1 | 28% | 0.283 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 18.4 | -179.4 | -64.6 | -166.5 | 171 | 174.9 | -3.4 | 113.1 | E282 N295 S303 A307 E308 | E282-R305 IonicContact OE1-NH2 3.33Å; E282-R305 PolarHBondContact OE1-NH2 3.41Å; N295-R305 PolarHBondContact ND2-NH1 2.94Å; S303-R305 VanDerWaalsContact C-N 3.28Å; S303-R305 PolarHBondContact O-N 3.41Å; S303-R305 PolarHBondContact OG-N 3.39Å; R305-A307 VanDerWaalsContact C-N 3.29Å; R305-A307 PolarHBondContact O-N 3.39Å; R305-E308 WeakPolarHBondContact CB-OE1 3.43Å; R305-E308 WeakPolarHBondContact CD-OE1 3.23Å; R305-E308 VanDerWaalsContact CG-OE1 3.22Å; R305-E308 WeakPolarHBondContact CG-OE1 3.35Å; R305-E308 IonicContact NE-OE1 3.56Å; R305-E308 WeakPolarHBondContact O-CB 3.32Å; R305-E308 PolarHBondContact O-N 3.19Å; R305-E308 VanDerWaalsContact O-N 3.14Å |
| 306 | R | 79.3 | Confident | 88.5 | Confident | 61 Ų | 61 | 55.3 Ų | 55.3 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.4 | -41.1 | -178.2 | 65 | -171.7 | 176.6 | 175.4 | 4.7 | 112.3 | G76 L84 H301 S303 E308 R309 Q310 | G76-R306 PolarHBondContact O-NH1 2.64Å; G76-R306 PolarHBondContact O-NH2 3.44Å; L84-R306 HydrophobicContact CD1-CB 3.77Å; H301-R306 WeakPolarHBondContact O-CD 3.44Å; H301-R306 PolarHBondContact O-NH1 3.14Å; S303-R306 WeakPolarHBondContact O-CB 3.21Å; S303-R306 WeakPolarHBondContact O-CD 3.49Å; S303-R306 VanDerWaalsContact O-CG 3.3Å; S303-R306 WeakPolarHBondContact O-CG 3.18Å; S303-R306 PolarHBondContact O-N 3.03Å; R306-E308 PolarHBondContact O-N 2.83Å; R306-R309 PolarHBondContact O-N 2.75Å; R306-R309 VanDerWaalsContact O-N 3.16Å; R306-Q310 PolarHBondContact O-N 2.78Å; R306-Q310 PolarHBondContact O-NE2 2.71Å; R306-Q310 VanDerWaalsContact O-NE2 3.16Å; R306-Q310 PolarHBondContact O-OE1 3.23Å |
| 307 | A | 91.2 | Very high | 88.7 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 26% | 0.264 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.1 | -34.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | Y75 R305 R309 Q310 W311 | Y75-A307 HydrophobicContact CD1-CB 4.24Å; Y75-A307 HydrophobicContact CE1-CB 4.37Å; R305-A307 VanDerWaalsContact C-N 3.29Å; R305-A307 PolarHBondContact O-N 3.39Å; A307-R309 PolarHBondContact O-N 2.96Å; A307-Q310 PolarHBondContact O-N 3.47Å; A307-W311 WeakPolarHBondContact O-CB 3.48Å; A307-W311 PolarHBondContact O-N 3.32Å |
| 308 | E | 93.4 | Very high | 88.9 | Confident | 88 Ų | 88 | 51.2 Ų | 51.2 | 41% | 0.411 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.1 | -40.4 | 179.5 | -64.3 | 166.3 | -141.5 | 0 | 0 | 112.1 | L296 R305 R306 T312 | L296-E308 HydrophobicContact CD2-CB 4.12Å; R305-E308 WeakPolarHBondContact CB-OE1 3.43Å; R305-E308 WeakPolarHBondContact CD-OE1 3.23Å; R305-E308 VanDerWaalsContact CG-OE1 3.22Å; R305-E308 WeakPolarHBondContact CG-OE1 3.35Å; R305-E308 IonicContact NE-OE1 3.56Å; R305-E308 WeakPolarHBondContact O-CB 3.32Å; R305-E308 PolarHBondContact O-N 3.19Å; R305-E308 VanDerWaalsContact O-N 3.14Å; R306-E308 PolarHBondContact O-N 2.83Å; E308-T312 VanDerWaalsContact O-CB 3.23Å; E308-T312 WeakPolarHBondContact O-CB 3.5Å; E308-T312 PolarHBondContact O-N 2.88Å; E308-T312 PolarHBondContact O-OG1 3.31Å |
| 309 | R | 95.6 | Very high | 89.2 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -48 | 176.4 | 179.1 | 178.7 | 170.7 | 72.8 | 5.8 | 111.4 | L84 T86 L296 D298 R306 A307 T312 Y313 F349 | L84-R309 PolarHBondContact O-NE 3.03Å; L84-R309 PolarHBondContact O-NH2 3.21Å; T86-R309 PolarHBondContact OG1-NH2 2.9Å; L296-R309 HydrophobicContact CD2-CB 4.31Å; L296-R309 WeakPolarHBondContact O-CD 3.35Å; L296-R309 WeakPolarHBondContact O-CG 3.15Å; L296-R309 PolarHBondContact O-NH1 2.85Å; D298-R309 VanDerWaalsContact O-CD 3.22Å; D298-R309 WeakPolarHBondContact O-CD 3.24Å; R306-R309 PolarHBondContact O-N 2.75Å; R306-R309 VanDerWaalsContact O-N 3.16Å; A307-R309 PolarHBondContact O-N 2.96Å; R309-T312 PolarHBondContact O-N 2.78Å; R309-Y313 WeakPolarHBondContact O-CB 3.43Å; R309-Y313 PolarHBondContact O-N 3.31Å; R309-F349 HydrophobicContact CG-CE1 3.97Å; R309-F349 HydrophobicContact CG-CZ 4.05Å; R309-F349 WeakPolarHBondContact O-CZ 3.19Å |
| 310 | Q | 96 | Very high | 89.5 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 178.2 | -77.3 | 85.3 | -80.5 | 0 | 0 | 111.6 | F74 Y75 L84 L89 L92 R306 A307 T312 Y313 Q314 | F74-Q310 HydrophobicContact CB-CG 3.98Å; F74-Q310 WeakPolarHBondContact O-CG 3.36Å; F74-Q310 PolarHBondContact O-NE2 2.99Å; Y75-Q310 HydrophobicContact CD1-CB 4.33Å; Y75-Q310 HydrophobicContact CE1-CB 3.53Å; Y75-Q310 HydrophobicContact CE1-CG 4.33Å; Y75-Q310 HydrophobicContact CE2-CB 4.29Å; Y75-Q310 WeakPolarHBondContact OH-CB 3.43Å; L84-Q310 VanDerWaalsContact CD1-OE1 3.26Å; L84-Q310 HydrophobicContact CD2-CG 4.08Å; L89-Q310 HydrophobicContact CD2-CG 4.19Å; L92-Q310 HydrophobicContact CD2-CB 3.64Å; L92-Q310 HydrophobicContact CD2-CG 3.78Å; R306-Q310 PolarHBondContact O-N 2.78Å; R306-Q310 PolarHBondContact O-NE2 2.71Å; R306-Q310 VanDerWaalsContact O-NE2 3.16Å; R306-Q310 PolarHBondContact O-OE1 3.23Å; A307-Q310 PolarHBondContact O-N 3.47Å; Q310-T312 PolarHBondContact O-N 3.23Å; Q310-Y313 WeakPolarHBondContact O-CB 3.48Å; Q310-Y313 PolarHBondContact O-N 2.77Å; Q310-Q314 PolarHBondContact O-N 3.02Å |
| 311 | W | 97.6 | Very high | 90 | Very high | 55 Ų | 55 | 44.2 Ų | 44.2 | 21% | 0.208 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -43.8 | -179.1 | -176.4 | -121.5 | 0 | 0 | 0 | 111.1 | E43 Y75 Y127 A307 Y313 Q314 T315 F319 F321 | E43-W311 HydrophobicContact CB-CD2 4.06Å; E43-W311 HydrophobicContact CB-CE3 3.6Å; E43-W311 HydrophobicContact CB-CG 4.47Å; E43-W311 HydrophobicContact CB-CZ3 4.15Å; E43-W311 HydrophobicContact CG-CD2 4.22Å; E43-W311 HydrophobicContact CG-CE3 4.15Å; Y75-W311 WeakPolarHBondContact OH-CA 3.4Å; Y75-W311 PolarHBondContact OH-N 3.07Å; Y127-W311 HydrophobicContact CD1-CH2 4.49Å; Y127-W311 AromaticContact CD1-CZ3 3.82Å; Y127-W311 HydrophobicContact CD1-CZ3 3.82Å; Y127-W311 HydrophobicContact CD2-CH2 4.4Å; Y127-W311 HydrophobicContact CD2-CZ3 4.23Å; Y127-W311 HydrophobicContact CE1-CZ3 4.34Å; Y127-W311 HydrophobicContact CG-CH2 4Å; Y127-W311 AromaticContact CG-CZ3 3.75Å; Y127-W311 HydrophobicContact CG-CZ3 3.75Å; A307-W311 WeakPolarHBondContact O-CB 3.48Å; A307-W311 PolarHBondContact O-N 3.32Å; W311-Y313 VanDerWaalsContact C-N 3.27Å; W311-Y313 PolarHBondContact O-N 3.48Å; W311-Q314 HydrophobicContact CE3-CB 4.34Å; W311-Q314 WeakPolarHBondContact O-CA 3.18Å; W311-Q314 PolarHBondContact O-N 3.4Å; W311-T315 WeakPolarHBondContact O-CG2 3.4Å; W311-T315 PolarHBondContact O-N 3.34Å; W311-F319 AromaticContact CH2-CD2 3.94Å; W311-F319 HydrophobicContact CH2-CD2 3.94Å; W311-F319 HydrophobicContact CH2-CE2 4.22Å; W311-F319 AromaticContact CZ3-CD2 3.98Å; W311-F319 HydrophobicContact CZ3-CD2 3.98Å; W311-F319 AromaticContact CZ3-CE2 3.93Å; W311-F319 HydrophobicContact CZ3-CE2 3.93Å; W311-F321 HydrophobicContact CH2-CD2 4.48Å; W311-F321 HydrophobicContact CH2-CE2 4.44Å; W311-F321 HydrophobicContact CZ2-CD2 4.16Å |
| 312 | T | 97.6 | Very high | 91.1 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.8 | -35.1 | 175.5 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | E308 R309 Q310 T315 C316 I344 F349 | E308-T312 VanDerWaalsContact O-CB 3.23Å; E308-T312 WeakPolarHBondContact O-CB 3.5Å; E308-T312 PolarHBondContact O-N 2.88Å; E308-T312 PolarHBondContact O-OG1 3.31Å; R309-T312 PolarHBondContact O-N 2.78Å; Q310-T312 PolarHBondContact O-N 3.23Å; T312-T315 WeakPolarHBondContact CA-OG1 3.36Å; T312-T315 PolarHBondContact O-N 3.03Å; T312-T315 PolarHBondContact O-OG1 2.98Å; T312-C316 WeakPolarHBondContact O-CB 3.48Å; T312-C316 PolarHBondContact O-N 3.01Å; T312-C316 PolarHBondContact O-SG 2.79Å; T312-I344 HydrophobicContact CG2-CG1 4.43Å; T312-I344 HydrophobicContact CG2-CG2 3.79Å; T312-F349 HydrophobicContact CG2-CE2 3.88Å |
| 313 | Y | 98.1 | Very high | 92.2 | Very high | 26 Ų | 26 | 35.3 Ų | 35.3 | 10% | 0.102 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 171.7 | -178.7 | -94.1 | 0 | 0 | 0 | 111.1 | T86 L89 L92 R309 Q310 W311 T315 C316 T317 F349 I351 | T86-Y313 HydrophobicContact CG2-CE2 4.3Å; L89-Y313 HydrophobicContact CB-CD1 3.89Å; L89-Y313 HydrophobicContact CB-CD2 3.93Å; L89-Y313 HydrophobicContact CB-CE1 3.79Å; L89-Y313 HydrophobicContact CB-CE2 3.82Å; L89-Y313 HydrophobicContact CB-CG 3.94Å; L89-Y313 HydrophobicContact CD1-CD1 4.48Å; L89-Y313 HydrophobicContact CD1-CD2 3.83Å; L89-Y313 HydrophobicContact CD1-CE2 4.48Å; L89-Y313 HydrophobicContact CD1-CG 3.81Å; L89-Y313 HydrophobicContact CG-CG 4.46Å; L89-Y313 WeakPolarHBondContact O-CE1 3.48Å; L89-Y313 VanDerWaalsContact O-CZ 3.3Å; L89-Y313 PolarHBondContact O-OH 3.38Å; L92-Y313 HydrophobicContact CB-CD1 4.39Å; L92-Y313 HydrophobicContact CB-CE1 4.42Å; L92-Y313 HydrophobicContact CD2-CD1 4.2Å; L92-Y313 HydrophobicContact CG-CD1 4.4Å; R309-Y313 WeakPolarHBondContact O-CB 3.43Å; R309-Y313 PolarHBondContact O-N 3.31Å; Q310-Y313 WeakPolarHBondContact O-CB 3.48Å; Q310-Y313 PolarHBondContact O-N 2.77Å; W311-Y313 VanDerWaalsContact C-N 3.27Å; W311-Y313 PolarHBondContact O-N 3.48Å; Y313-T315 PolarHBondContact O-N 3.07Å; Y313-C316 CarbonylContact O-C 3.57Å; Y313-C316 WeakPolarHBondContact O-CA 3.37Å; Y313-C316 WeakPolarHBondContact O-CB 3.47Å; Y313-C316 PolarHBondContact O-N 3.26Å; Y313-C316 VanDerWaalsContact O-N 3.1Å; Y313-T317 HydrophobicContact CD1-CG2 4.14Å; Y313-T317 HydrophobicContact CD2-CG2 4.29Å; Y313-T317 HydrophobicContact CE1-CG2 3.7Å; Y313-T317 HydrophobicContact CE2-CG2 3.89Å; Y313-T317 HydrophobicContact CG-CG2 4.42Å; Y313-T317 WeakPolarHBondContact O-CG2 3.39Å; Y313-T317 PolarHBondContact O-N 3.45Å; Y313-T317 PolarHBondContact O-OG1 2.99Å; Y313-F349 HydrophobicContact CD2-CB 4.37Å; Y313-F349 AromaticContact CD2-CD1 3.65Å; Y313-F349 HydrophobicContact CD2-CD1 3.65Å; Y313-F349 HydrophobicContact CD2-CD2 4.39Å; Y313-F349 AromaticContact CD2-CE1 3.95Å; Y313-F349 HydrophobicContact CD2-CE1 3.95Å; Y313-F349 AromaticContact CD2-CG 3.89Å; Y313-F349 HydrophobicContact CD2-CG 3.89Å; Y313-F349 HydrophobicContact CD2-CZ 4.46Å; Y313-F349 HydrophobicContact CE2-CD1 4.47Å; Y313-F349 HydrophobicContact CG-CE1 4.43Å; Y313-I351 HydrophobicContact CD2-CD1 4.29Å; Y313-I351 HydrophobicContact CE2-CD1 4.05Å |
| 314 | Q | 98.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.7 | -35.1 | 177.9 | -66.8 | -168.6 | -98.7 | 0 | 0 | 113.4 | Y75 L92 Y127 Q310 W311 C316 T317 E318 F319 | Y75-Q314 PolarHBondContact OH-OE1 2.91Å; L92-Q314 HydrophobicContact CD1-CG 4.26Å; L92-Q314 HydrophobicContact CD2-CG 3.98Å; L92-Q314 HydrophobicContact CG-CG 3.84Å; Y127-Q314 PolarHBondContact OH-NE2 2.82Å; Y127-Q314 VanDerWaalsContact OH-NE2 3.11Å; Q310-Q314 PolarHBondContact O-N 3.02Å; W311-Q314 HydrophobicContact CE3-CB 4.34Å; W311-Q314 WeakPolarHBondContact O-CA 3.18Å; W311-Q314 PolarHBondContact O-N 3.4Å; Q314-C316 VanDerWaalsContact C-N 3.32Å; Q314-T317 PolarHBondContact O-N 3.43Å; Q314-E318 PolarHBondContact NE2-OE2 3.26Å; Q314-E318 WeakPolarHBondContact O-CA 3.33Å; Q314-E318 PolarHBondContact O-N 2.94Å; Q314-F319 HydrophobicContact CB-CD2 3.88Å; Q314-F319 HydrophobicContact CB-CE2 3.79Å; Q314-F319 HydrophobicContact CG-CE2 4.47Å; Q314-F319 PolarHBondContact O-N 3.42Å; Q314-F319 VanDerWaalsContact O-N 3.07Å |
| 315 | T | 98.2 | Very high | 94.6 | Very high | 13 Ų | 13 | 22.8 Ų | 22.8 | 8% | 0.08 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -65.1 | -37.8 | 171.7 | 64 | 0 | 0 | 0 | 0 | 111.5 | W311 T312 Y313 G320 | W311-T315 WeakPolarHBondContact O-CG2 3.4Å; W311-T315 PolarHBondContact O-N 3.34Å; T312-T315 WeakPolarHBondContact CA-OG1 3.36Å; T312-T315 PolarHBondContact O-N 3.03Å; T312-T315 PolarHBondContact O-OG1 2.98Å; Y313-T315 PolarHBondContact O-N 3.07Å; T315-G320 WeakPolarHBondContact CB-O 3.45Å; T315-G320 WeakPolarHBondContact CG2-O 3.42Å; T315-G320 WeakPolarHBondContact O-CA 3.35Å; T315-G320 PolarHBondContact O-N 3.43Å |
| 316 | C | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -74.5 | -19.3 | 175.2 | -64.9 | 0 | 0 | 0 | 0 | 114.4 | T312 Y313 Q314 C345 F349 I351 L356 | T312-C316 WeakPolarHBondContact O-CB 3.48Å; T312-C316 PolarHBondContact O-N 3.01Å; T312-C316 PolarHBondContact O-SG 2.79Å; Y313-C316 CarbonylContact O-C 3.57Å; Y313-C316 WeakPolarHBondContact O-CA 3.37Å; Y313-C316 WeakPolarHBondContact O-CB 3.47Å; Y313-C316 PolarHBondContact O-N 3.26Å; Y313-C316 VanDerWaalsContact O-N 3.1Å; Q314-C316 VanDerWaalsContact C-N 3.32Å; C316-C345 HydrophobicContact CB-CB 3.74Å; C316-C345 WeakPolarHBondContact CB-SG 3.33Å; C316-C345 WeakPolarHBondContact SG-CA 3.25Å; C316-C345 WeakPolarHBondContact SG-CB 3.08Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 2.82Å; C316-F349 HydrophobicContact CB-CD2 4.48Å; C316-I351 HydrophobicContact CB-CD1 3.93Å; C316-L356 HydrophobicContact CB-CD2 4.42Å; C316-L356 WeakPolarHBondContact O-CD2 3.37Å |
| 317 | T | 98.2 | Very high | 96 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 10% | 0.098 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -113 | -24.3 | -175.7 | 56.5 | 0 | 0 | 0 | 0 | 115.7 | Y313 Q314 I351 R359 | Y313-T317 HydrophobicContact CD1-CG2 4.14Å; Y313-T317 HydrophobicContact CD2-CG2 4.29Å; Y313-T317 HydrophobicContact CE1-CG2 3.7Å; Y313-T317 HydrophobicContact CE2-CG2 3.89Å; Y313-T317 HydrophobicContact CG-CG2 4.42Å; Y313-T317 WeakPolarHBondContact O-CG2 3.39Å; Y313-T317 PolarHBondContact O-N 3.45Å; Y313-T317 PolarHBondContact O-OG1 2.99Å; Q314-T317 PolarHBondContact O-N 3.43Å; T317-I351 HydrophobicContact CG2-CD1 3.54Å; T317-R359 WeakPolarHBondContact O-CB 3.35Å |
| 318 | E | 98.4 | Very high | 95.7 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -135.1 | -45.8 | -171 | -61.8 | -171.2 | 95.3 | 0 | 0 | 113.2 | S93 S94 Q95 Q314 T363 | S93-E318 VanDerWaalsContact CA-OE2 3.3Å; S93-E318 WeakPolarHBondContact CA-OE2 3.43Å; S94-E318 WeakPolarHBondContact CB-OE1 3.37Å; S94-E318 PolarHBondContact N-OE1 2.93Å; S94-E318 PolarHBondContact N-OE2 2.98Å; S94-E318 PolarHBondContact OG-OE1 2.79Å; Q95-E318 PolarHBondContact OE1-OE1 3.39Å; Q95-E318 VanDerWaalsContact OE1-OE1 3.09Å; Q314-E318 PolarHBondContact NE2-OE2 3.26Å; Q314-E318 WeakPolarHBondContact O-CA 3.33Å; Q314-E318 PolarHBondContact O-N 2.94Å; E318-T363 WeakPolarHBondContact CA-OG1 3.44Å; E318-T363 VanDerWaalsContact O-CB 3.29Å; E318-T363 WeakPolarHBondContact O-CB 3.46Å; E318-T363 PolarHBondContact O-OG1 3.11Å |
| 319 | F | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -108.4 | -35.8 | -158.1 | -57 | -45.3 | 0 | 0 | 0 | 115.8 | Y127 W134 K156 W311 Q314 F321 T363 | Y127-F319 HydrophobicContact CD2-CE2 4.03Å; Y127-F319 HydrophobicContact CD2-CZ 4.01Å; Y127-F319 HydrophobicContact CE2-CE1 4.46Å; Y127-F319 AromaticContact CE2-CE2 3.7Å; Y127-F319 HydrophobicContact CE2-CE2 3.7Å; Y127-F319 AromaticContact CE2-CZ 3.45Å; Y127-F319 HydrophobicContact CE2-CZ 3.45Å; Y127-F319 VanDerWaalsContact CE2-CZ 3.45Å; W134-F319 AromaticContact CH2-CE1 3.73Å; W134-F319 HydrophobicContact CH2-CE1 3.73Å; W134-F319 HydrophobicContact CH2-CZ 4.29Å; W134-F319 HydrophobicContact CZ3-CE1 4.16Å; W134-F319 HydrophobicContact CZ3-CZ 4.35Å; K156-F319 CarbonylContact C-O 3.51Å; K156-F319 PolarHBondContact N-O 2.81Å; W311-F319 AromaticContact CH2-CD2 3.94Å; W311-F319 HydrophobicContact CH2-CD2 3.94Å; W311-F319 HydrophobicContact CH2-CE2 4.22Å; W311-F319 AromaticContact CZ3-CD2 3.98Å; W311-F319 HydrophobicContact CZ3-CD2 3.98Å; W311-F319 AromaticContact CZ3-CE2 3.93Å; W311-F319 HydrophobicContact CZ3-CE2 3.93Å; Q314-F319 HydrophobicContact CB-CD2 3.88Å; Q314-F319 HydrophobicContact CB-CE2 3.79Å; Q314-F319 HydrophobicContact CG-CE2 4.47Å; Q314-F319 PolarHBondContact O-N 3.42Å; Q314-F319 VanDerWaalsContact O-N 3.07Å; F319-F321 HydrophobicContact CB-CD1 4.46Å; F319-F321 HydrophobicContact CB-CD2 3.67Å; F319-F321 HydrophobicContact CB-CE1 4.27Å; F319-F321 HydrophobicContact CB-CE2 3.48Å; F319-F321 VanDerWaalsContact CB-CE2 3.48Å; F319-F321 HydrophobicContact CB-CG 4.18Å; F319-F321 HydrophobicContact CB-CZ 3.81Å; F319-F321 HydrophobicContact CD1-CE2 4.45Å; F319-F321 HydrophobicContact CD1-CZ 4.46Å; F319-F321 HydrophobicContact CD2-CE2 4.38Å; F319-F321 HydrophobicContact CG-CD2 4.43Å; F319-F321 AromaticContact CG-CE2 3.88Å; F319-F321 HydrophobicContact CG-CE2 3.88Å; F319-F321 HydrophobicContact CG-CZ 4.26Å; F319-F321 PolarHBondContact O-N 2.91Å; F319-T363 HydrophobicContact CD1-CG2 4.02Å; F319-T363 HydrophobicContact CE1-CG2 4.03Å |
| 320 | G | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 67.4 | -117.4 | -159.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | K156 T315 | K156-G320 CarbonylContact O-C 3.57Å; T315-G320 WeakPolarHBondContact CB-O 3.45Å; T315-G320 WeakPolarHBondContact CG2-O 3.42Å; T315-G320 WeakPolarHBondContact O-CA 3.35Å; T315-G320 PolarHBondContact O-N 3.43Å |
| 321 | F | 97.6 | Very high | 95.3 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 74 | 32.5 | -173.9 | -48.9 | -31.9 | 0 | 0 | 0 | 113.9 | P152 K154 K156 W311 F319 Q323 W387 L390 | P152-F321 HydrophobicContact CB-CE2 4.44Å; P152-F321 HydrophobicContact CB-CZ 4.04Å; P152-F321 HydrophobicContact CG-CE2 4.32Å; P152-F321 HydrophobicContact CG-CZ 4.35Å; K154-F321 WeakPolarHBondContact O-CE1 3.21Å; K156-F321 PolarHBondContact O-N 3.48Å; W311-F321 HydrophobicContact CH2-CD2 4.48Å; W311-F321 HydrophobicContact CH2-CE2 4.44Å; W311-F321 HydrophobicContact CZ2-CD2 4.16Å; F319-F321 HydrophobicContact CB-CD1 4.46Å; F319-F321 HydrophobicContact CB-CD2 3.67Å; F319-F321 HydrophobicContact CB-CE1 4.27Å; F319-F321 HydrophobicContact CB-CE2 3.48Å; F319-F321 VanDerWaalsContact CB-CE2 3.48Å; F319-F321 HydrophobicContact CB-CG 4.18Å; F319-F321 HydrophobicContact CB-CZ 3.81Å; F319-F321 HydrophobicContact CD1-CE2 4.45Å; F319-F321 HydrophobicContact CD1-CZ 4.46Å; F319-F321 HydrophobicContact CD2-CE2 4.38Å; F319-F321 HydrophobicContact CG-CD2 4.43Å; F319-F321 AromaticContact CG-CE2 3.88Å; F319-F321 HydrophobicContact CG-CE2 3.88Å; F319-F321 HydrophobicContact CG-CZ 4.26Å; F319-F321 PolarHBondContact O-N 2.91Å; F321-Q323 PolarHBondContact O-N 3.41Å; F321-W387 HydrophobicContact CB-CH2 3.76Å; F321-W387 HydrophobicContact CB-CZ3 3.9Å; F321-W387 HydrophobicContact CD1-CZ3 4.11Å; F321-W387 AromaticContact CD2-CH2 3.9Å; F321-W387 HydrophobicContact CD2-CH2 3.9Å; F321-W387 AromaticContact CD2-CZ3 3.74Å; F321-W387 HydrophobicContact CD2-CZ3 3.74Å; F321-W387 HydrophobicContact CE2-CZ3 4.18Å; F321-W387 AromaticContact CG-CH2 3.96Å; F321-W387 HydrophobicContact CG-CH2 3.96Å; F321-W387 AromaticContact CG-CZ3 3.69Å; F321-W387 HydrophobicContact CG-CZ3 3.69Å; F321-L390 HydrophobicContact CD1-CD1 3.49Å; F321-L390 VanDerWaalsContact CD1-CD1 3.49Å; F321-L390 HydrophobicContact CE1-CD1 3.48Å; F321-L390 VanDerWaalsContact CE1-CD1 3.48Å; F321-L390 HydrophobicContact CG-CD1 4.46Å; F321-L390 HydrophobicContact CZ-CD1 4.41Å |
| 322 | Y | 97.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 27.2 Ų | 27.2 | 5% | 0.051 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 113.1 | 174.4 | -61.6 | -60.9 | 0 | 0 | 0 | 109.5 | L157 F159 T324 L338 Q341 T342 C345 L356 | L157-Y322 HydrophobicContact CD1-CD2 3.73Å; L157-Y322 HydrophobicContact CD1-CE2 3.67Å; L157-Y322 WeakPolarHBondContact O-CB 3.43Å; L157-Y322 WeakPolarHBondContact O-CD2 3.43Å; L157-Y322 PolarHBondContact O-N 3.47Å; F159-Y322 WeakPolarHBondContact CA-O 3.48Å; F159-Y322 PolarHBondContact N-O 3.41Å; Y322-T324 PolarHBondContact O-N 2.63Å; Y322-L338 HydrophobicContact CD2-CD1 3.7Å; Y322-L338 HydrophobicContact CG-CD1 3.98Å; Y322-Q341 HydrophobicContact CD1-CB 3.74Å; Y322-Q341 HydrophobicContact CE1-CB 4.45Å; Y322-Q341 HydrophobicContact CG-CB 4.24Å; Y322-T342 HydrophobicContact CD2-CG2 3.64Å; Y322-T342 HydrophobicContact CE2-CG2 3.5Å; Y322-T342 HydrophobicContact CG-CG2 4.26Å; Y322-C345 PolarHBondContact OH-SG 3.3Å; Y322-L356 HydrophobicContact CE2-CD1 4.35Å |
| 323 | Q | 96.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 26.1 Ų | 26.1 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | trans | -85 | 92.1 | -176.1 | -66.6 | 154.6 | -2.3 | 0 | 0 | 108.3 | Y162 M232 F321 V336 Q341 | Y162-Q323 HydrophobicContact CD1-CG 4.16Å; Y162-Q323 HydrophobicContact CD2-CG 3.96Å; Y162-Q323 HydrophobicContact CE2-CG 4.49Å; Y162-Q323 HydrophobicContact CG-CB 4.5Å; Y162-Q323 HydrophobicContact CG-CG 3.79Å; M232-Q323 HydrophobicContact CE-CB 3.88Å; M232-Q323 HydrophobicContact CE-CG 4.18Å; F321-Q323 PolarHBondContact O-N 3.41Å; Q323-V336 WeakPolarHBondContact O-CG1 3.45Å; Q323-Q341 PolarHBondContact O-NE2 3.16Å | ||
| 324 | T | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -98.2 | 171 | -174 | 71.2 | 0 | 0 | 0 | 0 | 111.9 | D158 S160 S163 Y322 L338 | D158-T324 WeakPolarHBondContact OD1-CB 2.96Å; D158-T324 WeakPolarHBondContact OD1-CG2 3.38Å; D158-T324 PolarHBondContact OD1-OG1 3.08Å; S160-T324 WeakPolarHBondContact CB-OG1 3.32Å; S163-T324 PolarHBondContact OG-O 3.21Å; S163-T324 VanDerWaalsContact OG-O 3.14Å; Y322-T324 PolarHBondContact O-N 2.63Å; T324-L338 HydrophobicContact CG2-CB 3.9Å; T324-L338 HydrophobicContact CG2-CD1 4.27Å | ||
| 325 | C | 94.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 5% | 0.047 | 17% | 0.168 | C | C | . | . | trans | -136.2 | 24.6 | -179.2 | -166 | 0 | 0 | 0 | 0 | 112.2 | D327 C330 S333 G334 V336 | C325-D327 PolarHBondContact O-N 2.01Å; C325-C330 WeakPolarHBondContact CA-SG 3.38Å; C325-C330 HydrophobicContact CB-CB 3.93Å; C325-C330 WeakPolarHBondContact CB-SG 3.42Å; C325-C330 WeakPolarHBondContact SG-CB 3.32Å; C325-C330 CovalentContact SG-SG 2.01Å; C325-C330 PolarHBondContact SG-SG 3.39Å; C325-S333 VanDerWaalsContact CB-O 3.24Å; C325-S333 WeakPolarHBondContact CB-O 3.4Å; C325-S333 PolarHBondContact SG-O 3.45Å; C325-S333 VanDerWaalsContact SG-O 3.39Å; C325-G334 WeakPolarHBondContact O-CA 3.4Å; C325-V336 HydrophobicContact CB-CB 4Å; C325-V336 PolarHBondContact N-O 3.16Å | ||
| 326 | E | 90.8 | Very high | 94.3 | Very high | 107 Ų | 107 | 28.8 Ų | 28.8 | 50% | 0.5 | 17% | 0.165 | S | C | . | . | trans | -71.7 | -17.8 | 179.2 | -67.4 | 179.2 | 89.1 | 0 | 0 | 112.5 | T337 L338 | E326-T337 HydrophobicContact CG-CG2 3.87Å; E326-T337 WeakPolarHBondContact OE2-CA 3.27Å; E326-L338 PolarHBondContact OE2-N 3.4Å | ||
| 327 | D | 87.9 | Confident | 94.1 | Very high | 69 Ų | 69 | 30.2 Ų | 30.2 | 37% | 0.369 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -79.1 | 135.2 | 174.3 | -168.1 | -47.9 | 0 | 0 | 0 | 111.7 | C325 T329 C330 | C325-D327 PolarHBondContact O-N 2.01Å; D327-T329 PolarHBondContact O-N 2.8Å; D327-T329 WeakPolarHBondContact OD1-CB 3.2Å; D327-T329 PolarHBondContact OD1-N 2.84Å; D327-T329 PolarHBondContact OD1-OG1 3.28Å; D327-C330 WeakPolarHBondContact O-CB 3.45Å; D327-C330 PolarHBondContact O-N 3.21Å |
| 328 | T | 84.3 | Confident | 94 | Very high | 139 Ų | 139 | 31.1 Ų | 31.1 | 85% | 0.853 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -20.7 | 174.9 | 59.3 | 0 | 0 | 0 | 0 | 115.6 | C330 | T328-C330 VanDerWaalsContact C-N 3.34Š|
| 329 | T | 87.5 | Confident | 93.7 | Very high | 63 Ų | 63 | 36.9 Ų | 36.9 | 39% | 0.387 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -21.8 | 178.3 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | N164 R186 D327 | N164-T329 VanDerWaalsContact CG-OG1 3.23Å; N164-T329 PolarHBondContact ND2-OG1 2.77Å; N164-T329 WeakPolarHBondContact OD1-CB 3.41Å; N164-T329 PolarHBondContact OD1-OG1 3.14Å; R186-T329 PolarHBondContact NH2-O 3.19Å; D327-T329 PolarHBondContact O-N 2.8Å; D327-T329 WeakPolarHBondContact OD1-CB 3.2Å; D327-T329 PolarHBondContact OD1-N 2.84Å; D327-T329 PolarHBondContact OD1-OG1 3.28Å |
| 330 | C | 94.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | trans | -58.9 | 136.4 | 178.8 | -179 | 0 | 0 | 0 | 0 | 111.5 | S163 N164 C325 D327 T328 F332 | S163-C330 WeakPolarHBondContact CB-SG 3.35Å; N164-C330 PolarHBondContact OD1-N 2.78Å; C325-C330 WeakPolarHBondContact CA-SG 3.38Å; C325-C330 HydrophobicContact CB-CB 3.93Å; C325-C330 WeakPolarHBondContact CB-SG 3.42Å; C325-C330 WeakPolarHBondContact SG-CB 3.32Å; C325-C330 CovalentContact SG-SG 2.01Å; C325-C330 PolarHBondContact SG-SG 3.39Å; D327-C330 WeakPolarHBondContact O-CB 3.45Å; D327-C330 PolarHBondContact O-N 3.21Å; T328-C330 VanDerWaalsContact C-N 3.34Å; C330-F332 VanDerWaalsContact C-N 3.3Å; C330-F332 PolarHBondContact O-N 3.13Å; C330-F332 PolarHBondContact SG-N 3.34Å | ||
| 331 | P | 95.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -81.4 | -5.8 | -179.9 | 33.2 | -36.6 | 0 | 0 | 0 | 114.6 | S163 L182 R186 | S163-P331 WeakPolarHBondContact O-CD 3.48Å; L182-P331 HydrophobicContact CD1-CB 3.67Å; R186-P331 HydrophobicContact CG-CB 4.14Å |
| 332 | F | 96.3 | Very high | 93.1 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 9% | 0.088 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -107.1 | -152.9 | -172.4 | -48 | -57.4 | 0 | 0 | 0 | 111.7 | V166 V185 F189 A228 I231 M232 C330 | V166-F332 HydrophobicContact CG1-CE2 4.13Å; V166-F332 HydrophobicContact CG1-CZ 3.63Å; V185-F332 HydrophobicContact CG1-CE1 4.27Å; F189-F332 HydrophobicContact CD1-CB 3.86Å; F189-F332 HydrophobicContact CD1-CD1 4.28Å; F189-F332 HydrophobicContact CD2-CD1 4.02Å; F189-F332 HydrophobicContact CE1-CB 3.9Å; F189-F332 AromaticContact CE1-CD1 3.89Å; F189-F332 HydrophobicContact CE1-CD1 3.89Å; F189-F332 HydrophobicContact CE1-CG 4.27Å; F189-F332 AromaticContact CE2-CD1 3.63Å; F189-F332 HydrophobicContact CE2-CD1 3.63Å; F189-F332 HydrophobicContact CE2-CE1 4.15Å; F189-F332 HydrophobicContact CG-CB 4.36Å; F189-F332 HydrophobicContact CG-CD1 4.35Å; F189-F332 HydrophobicContact CZ-CB 4.44Å; F189-F332 AromaticContact CZ-CD1 3.55Å; F189-F332 HydrophobicContact CZ-CD1 3.55Å; F189-F332 HydrophobicContact CZ-CE1 4.18Å; F189-F332 HydrophobicContact CZ-CG 4.35Å; A228-F332 HydrophobicContact CB-CB 4.15Å; A228-F332 HydrophobicContact CB-CD1 4.11Å; A228-F332 HydrophobicContact CB-CD2 3.86Å; A228-F332 HydrophobicContact CB-CE1 4.45Å; A228-F332 HydrophobicContact CB-CE2 4.22Å; A228-F332 HydrophobicContact CB-CG 3.78Å; A228-F332 HydrophobicContact CB-CZ 4.48Å; I231-F332 HydrophobicContact CB-CE1 3.9Å; I231-F332 HydrophobicContact CB-CZ 4.12Å; I231-F332 HydrophobicContact CD1-CE1 4.1Å; I231-F332 HydrophobicContact CG2-CE1 3.81Å; I231-F332 HydrophobicContact CG2-CZ 3.89Å; M232-F332 HydrophobicContact CG-CE2 3.6Å; M232-F332 HydrophobicContact CG-CZ 3.77Å; M232-F332 HydrophobicContact SD-CD2 4.42Å; M232-F332 HydrophobicContact SD-CE2 3.86Å; M232-F332 HydrophobicContact SD-CZ 4.47Å; C330-F332 VanDerWaalsContact C-N 3.3Å; C330-F332 PolarHBondContact O-N 3.13Å; C330-F332 PolarHBondContact SG-N 3.34Å |
| 333 | S | 94.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | trans | -95.9 | 135.4 | -179.2 | 175.8 | 0 | 0 | 0 | 0 | 112.7 | E193 C325 M335 V336 | E193-S333 WeakPolarHBondContact OE2-CB 3.36Å; E193-S333 PolarHBondContact OE2-OG 3.25Å; C325-S333 VanDerWaalsContact CB-O 3.24Å; C325-S333 WeakPolarHBondContact CB-O 3.4Å; C325-S333 PolarHBondContact SG-O 3.45Å; C325-S333 VanDerWaalsContact SG-O 3.39Å; S333-M335 PolarHBondContact O-N 3.48Å; S333-M335 VanDerWaalsContact O-N 3.08Å; S333-M335 WeakPolarHBondContact OG-CB 3.22Å; S333-M335 WeakPolarHBondContact OG-CG 3.17Å; S333-M335 PolarHBondContact OG-N 3.49Å; S333-V336 PolarHBondContact O-N 3.39Å | ||
| 334 | G | 93.3 | Very high | 92.9 | Very high | 43 Ų | 43 | 41.2 Ų | 41.2 | 44% | 0.443 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | C325 V336 T337 | C325-G334 WeakPolarHBondContact O-CA 3.4Å; G334-V336 PolarHBondContact O-N 2.99Å; G334-T337 WeakPolarHBondContact O-CG2 3.06Å |
| 335 | M | 92.1 | Very high | 93 | Very high | 48 Ų | 48 | 41.2 Ų | 41.2 | 24% | 0.236 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.4 | 168.6 | -69.5 | -176.8 | 136.1 | 0 | 0 | 112.5 | E193 M224 S333 T337 | E193-M335 HydrophobicContact CG-SD 4.31Å; M224-M335 HydrophobicContact CG-SD 3.85Å; S333-M335 PolarHBondContact O-N 3.48Å; S333-M335 VanDerWaalsContact O-N 3.08Å; S333-M335 WeakPolarHBondContact OG-CB 3.22Å; S333-M335 WeakPolarHBondContact OG-CG 3.17Å; S333-M335 PolarHBondContact OG-N 3.49Å; M335-T337 PolarHBondContact O-N 3.44Å |
| 336 | V | 93.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | trans | -80.1 | 86.9 | 179.5 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | M224 Q225 Q323 C325 S333 G334 | M224-V336 HydrophobicContact CB-CG2 4.39Å; Q225-V336 HydrophobicContact CB-CG2 4.43Å; Q323-V336 WeakPolarHBondContact O-CG1 3.45Å; C325-V336 HydrophobicContact CB-CB 4Å; C325-V336 PolarHBondContact N-O 3.16Å; S333-V336 PolarHBondContact O-N 3.39Å; G334-V336 PolarHBondContact O-N 2.99Å | ||
| 337 | T | 94.3 | Very high | 93.4 | Very high | 31 Ų | 31 | 46 Ų | 46 | 19% | 0.19 | 25% | 0.252 | C | S | . | . | trans | -105 | 152.1 | -173.3 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | E326 G334 M335 Q339 A340 Q341 | E326-T337 HydrophobicContact CG-CG2 3.87Å; E326-T337 WeakPolarHBondContact OE2-CA 3.27Å; G334-T337 WeakPolarHBondContact O-CG2 3.06Å; M335-T337 PolarHBondContact O-N 3.44Å; T337-Q339 VanDerWaalsContact C-N 3.28Å; T337-Q339 PolarHBondContact O-N 3.4Å; T337-A340 PolarHBondContact O-N 3.44Å; T337-A340 WeakPolarHBondContact OG1-CB 3.06Å; T337-A340 PolarHBondContact OG1-N 2.83Å; T337-Q341 PolarHBondContact O-N 3.43Å; T337-Q341 VanDerWaalsContact O-N 3.15Å | ||
| 338 | L | 95.5 | Very high | 93.8 | Very high | 36 Ų | 36 | 43 Ų | 43 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -41.3 | 173.4 | -176.7 | 64.8 | 0 | 0 | 0 | 111.6 | L157 D158 Y322 T324 E326 A340 Q341 T342 | L157-L338 HydrophobicContact CD1-CD1 4.4Å; L157-L338 HydrophobicContact CD2-CD2 4.23Å; L157-L338 HydrophobicContact CG-CD1 4.13Å; L157-L338 HydrophobicContact CG-CD2 4.24Å; D158-L338 HydrophobicContact CB-CD1 4.12Å; D158-L338 HydrophobicContact CB-CD2 3.96Å; Y322-L338 HydrophobicContact CD2-CD1 3.7Å; Y322-L338 HydrophobicContact CG-CD1 3.98Å; T324-L338 HydrophobicContact CG2-CB 3.9Å; T324-L338 HydrophobicContact CG2-CD1 4.27Å; E326-L338 PolarHBondContact OE2-N 3.4Å; L338-A340 VanDerWaalsContact C-N 3.28Å; L338-A340 PolarHBondContact O-N 3.06Å; L338-Q341 PolarHBondContact O-N 3.16Å; L338-T342 HydrophobicContact CD1-CG2 3.83Å; L338-T342 HydrophobicContact CG-CG2 4.14Å; L338-T342 WeakPolarHBondContact O-CB 3.44Å; L338-T342 VanDerWaalsContact O-CG2 3.28Å; L338-T342 WeakPolarHBondContact O-CG2 3.44Å; L338-T342 PolarHBondContact O-N 3.17Å; L338-T342 PolarHBondContact O-OG1 3.42Å |
| 339 | Q | 93.1 | Very high | 94.4 | Very high | 129 Ų | 129 | 37.1 Ų | 37.1 | 60% | 0.603 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -59.3 | -43.6 | -178.4 | -173.6 | -176 | 34.4 | 0 | 0 | 110.8 | T337 T342 K343 | T337-Q339 VanDerWaalsContact C-N 3.28Å; T337-Q339 PolarHBondContact O-N 3.4Å; Q339-T342 PolarHBondContact O-OG1 3.02Å; Q339-K343 WeakPolarHBondContact O-CG 3.49Å; Q339-K343 PolarHBondContact O-N 2.97Å |
| 340 | A | 90.4 | Very high | 94.9 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 10% | 0.099 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.7 | -43.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M221 T337 L338 T342 K343 | M221-A340 HydrophobicContact CE-CB 4.29Å; M221-A340 HydrophobicContact SD-CB 3.16Å; M221-A340 WeakPolarHBondContact SD-CB 3.31Å; T337-A340 PolarHBondContact O-N 3.44Å; T337-A340 WeakPolarHBondContact OG1-CB 3.06Å; T337-A340 PolarHBondContact OG1-N 2.83Å; L338-A340 VanDerWaalsContact C-N 3.28Å; L338-A340 PolarHBondContact O-N 3.06Å; A340-T342 VanDerWaalsContact C-N 3.33Å; A340-T342 PolarHBondContact O-N 3.16Å; A340-K343 WeakPolarHBondContact O-CB 3.06Å; A340-K343 PolarHBondContact O-N 3.33Å |
| 341 | Q | 92.9 | Very high | 95 | Very high | 34 Ų | 34 | 37.4 Ų | 37.4 | 16% | 0.159 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 176.7 | -68.7 | -171.9 | 18 | 0 | 0 | 112.3 | Y322 Q323 T337 L338 K343 I344 | Y322-Q341 HydrophobicContact CD1-CB 3.74Å; Y322-Q341 HydrophobicContact CE1-CB 4.45Å; Y322-Q341 HydrophobicContact CG-CB 4.24Å; Q323-Q341 PolarHBondContact O-NE2 3.16Å; T337-Q341 PolarHBondContact O-N 3.43Å; T337-Q341 VanDerWaalsContact O-N 3.15Å; L338-Q341 PolarHBondContact O-N 3.16Å; Q341-K343 VanDerWaalsContact C-N 3.32Å; Q341-K343 PolarHBondContact O-N 3.1Å; Q341-I344 VanDerWaalsContact O-CG2 3.23Å; Q341-I344 WeakPolarHBondContact O-CG2 3.21Å |
| 342 | T | 95.9 | Very high | 95.1 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.043 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -76.1 | -12.6 | -178.4 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | L157 Y322 L338 Q339 A340 I344 C345 Q353 L356 | L157-T342 HydrophobicContact CD1-CG2 4.33Å; Y322-T342 HydrophobicContact CD2-CG2 3.64Å; Y322-T342 HydrophobicContact CE2-CG2 3.5Å; Y322-T342 HydrophobicContact CG-CG2 4.26Å; L338-T342 HydrophobicContact CD1-CG2 3.83Å; L338-T342 HydrophobicContact CG-CG2 4.14Å; L338-T342 WeakPolarHBondContact O-CB 3.44Å; L338-T342 VanDerWaalsContact O-CG2 3.28Å; L338-T342 WeakPolarHBondContact O-CG2 3.44Å; L338-T342 PolarHBondContact O-N 3.17Å; L338-T342 PolarHBondContact O-OG1 3.42Å; Q339-T342 PolarHBondContact O-OG1 3.02Å; A340-T342 VanDerWaalsContact C-N 3.33Å; A340-T342 PolarHBondContact O-N 3.16Å; T342-I344 PolarHBondContact O-N 3.18Å; T342-C345 WeakPolarHBondContact O-CB 3.47Å; T342-C345 PolarHBondContact O-N 3.18Å; T342-Q353 VanDerWaalsContact C-NE2 3.34Å; T342-Q353 WeakPolarHBondContact O-CG 3.47Å; T342-Q353 PolarHBondContact O-NE2 3.44Å; T342-L356 HydrophobicContact CG2-CD1 3.67Å |
| 343 | K | 95 | Very high | 95 | Very high | 85 Ų | 85 | 41.9 Ų | 41.9 | 37% | 0.37 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.3 | -31.6 | 173.7 | -77.8 | 170.6 | -171.6 | 173.9 | 0 | 112.2 | Q339 A340 Q341 C345 T346 K347 Q353 | Q339-K343 WeakPolarHBondContact O-CG 3.49Å; Q339-K343 PolarHBondContact O-N 2.97Å; A340-K343 WeakPolarHBondContact O-CB 3.06Å; A340-K343 PolarHBondContact O-N 3.33Å; Q341-K343 VanDerWaalsContact C-N 3.32Å; Q341-K343 PolarHBondContact O-N 3.1Å; K343-C345 PolarHBondContact O-N 2.76Å; K343-T346 PolarHBondContact O-N 2.94Å; K343-K347 WeakPolarHBondContact O-CB 3.43Å; K343-K347 PolarHBondContact O-N 2.03Å; K343-Q353 VanDerWaalsContact N-NE2 3.17Å |
| 344 | I | 95.6 | Very high | 95.1 | Very high | 20 Ų | 20 | 50.1 Ų | 50.1 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.5 | -34.7 | -178.7 | -157.6 | 65.8 | 0 | 0 | 0 | 111.9 | V293 L296 T312 Q341 T342 T346 K347 V348 | V293-I344 HydrophobicContact CB-CD1 4.5Å; V293-I344 HydrophobicContact CG2-CD1 3.7Å; L296-I344 HydrophobicContact CD1-CD1 3.7Å; L296-I344 HydrophobicContact CD1-CG1 3.56Å; T312-I344 HydrophobicContact CG2-CG1 4.43Å; T312-I344 HydrophobicContact CG2-CG2 3.79Å; Q341-I344 VanDerWaalsContact O-CG2 3.23Å; Q341-I344 WeakPolarHBondContact O-CG2 3.21Å; T342-I344 PolarHBondContact O-N 3.18Å; I344-T346 PolarHBondContact O-N 3.46Å; I344-K347 PolarHBondContact O-N 3.46Å; I344-V348 HydrophobicContact CD1-CG2 3.43Å; I344-V348 VanDerWaalsContact CD1-CG2 3.43Å; I344-V348 HydrophobicContact CG1-CG2 3.69Å; I344-V348 VanDerWaalsContact O-CB 3.32Å; I344-V348 WeakPolarHBondContact O-CB 3.42Å; I344-V348 PolarHBondContact O-N 2.83Å |
| 345 | C | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 179.1 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | C316 Y322 T342 K343 F349 G350 I351 | C316-C345 HydrophobicContact CB-CB 3.74Å; C316-C345 WeakPolarHBondContact CB-SG 3.33Å; C316-C345 WeakPolarHBondContact SG-CA 3.25Å; C316-C345 WeakPolarHBondContact SG-CB 3.08Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 2.82Å; Y322-C345 PolarHBondContact OH-SG 3.3Å; T342-C345 WeakPolarHBondContact O-CB 3.47Å; T342-C345 PolarHBondContact O-N 3.18Å; K343-C345 PolarHBondContact O-N 2.76Å; C345-F349 CarbonylContact O-C 3.57Å; C345-F349 WeakPolarHBondContact O-CB 3.24Å; C345-F349 PolarHBondContact O-N 3.43Å; C345-F349 VanDerWaalsContact O-N 3.13Å; C345-G350 PolarHBondContact O-N 3.45Å; C345-I351 CarbonylContact C-O 3.4Å; C345-I351 HydrophobicContact CB-CB 4.28Å; C345-I351 PolarHBondContact O-N 3.47Å |
| 346 | T | 96.9 | Very high | 95.6 | Very high | 68 Ų | 68 | 47.3 Ų | 47.3 | 42% | 0.417 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -72.9 | -41.8 | 178.2 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | K343 I344 G350 I351 | K343-T346 PolarHBondContact O-N 2.94Å; I344-T346 PolarHBondContact O-N 3.46Å; T346-G350 VanDerWaalsContact O-CA 3.27Å; T346-G350 WeakPolarHBondContact O-CA 3.27Å; T346-G350 PolarHBondContact O-N 2.97Å; T346-G350 VanDerWaalsContact O-N 3.08Å; T346-I351 WeakPolarHBondContact CA-O 3.48Å; T346-I351 WeakPolarHBondContact CB-O 3.46Å; T346-I351 PolarHBondContact N-O 3.1Å; T346-I351 VanDerWaalsContact N-O 3.11Å; T346-I351 PolarHBondContact OG1-O 3.28Å |
| 347 | K | 96.3 | Very high | 95.8 | Very high | 145 Ų | 145 | 50.5 Ų | 50.5 | 63% | 0.63 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -68.1 | -42.2 | -175.9 | -172.7 | 64.6 | 175.2 | -172.6 | 0 | 113.2 | V293 K343 I344 | V293-K347 HydrophobicContact CG1-CG 3.84Å; V293-K347 HydrophobicContact CG2-CG 4.48Å; K343-K347 WeakPolarHBondContact O-CB 3.43Å; K343-K347 PolarHBondContact O-N 2.03Å; I344-K347 PolarHBondContact O-N 3.46Å |
| 348 | V | 96.3 | Very high | 96 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -94.7 | -36.3 | -171.8 | 178.4 | 0 | 0 | 0 | 0 | 112.4 | V293 L296 M297 I344 | V293-V348 HydrophobicContact CG1-CG2 4.46Å; L296-V348 HydrophobicContact CB-CG1 4.1Å; L296-V348 HydrophobicContact CB-CG2 4.02Å; L296-V348 WeakPolarHBondContact O-CG1 3.39Å; M297-V348 HydrophobicContact CG-CG2 4.38Å; M297-V348 HydrophobicContact SD-CB 4.22Å; M297-V348 HydrophobicContact SD-CG1 4.02Å; M297-V348 HydrophobicContact SD-CG2 4.35Å; I344-V348 HydrophobicContact CD1-CG2 3.43Å; I344-V348 VanDerWaalsContact CD1-CG2 3.43Å; I344-V348 HydrophobicContact CG1-CG2 3.69Å; I344-V348 VanDerWaalsContact O-CB 3.32Å; I344-V348 WeakPolarHBondContact O-CB 3.42Å; I344-V348 PolarHBondContact O-N 2.83Å |
| 349 | F | 97.2 | Very high | 96.1 | Very high | 15 Ų | 15 | 55.7 Ų | 55.7 | 7% | 0.066 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -117.9 | -4 | -172.5 | -52.3 | -67.1 | 0 | 0 | 0 | 113.8 | T86 L89 R309 T312 Y313 C316 C345 I351 | T86-F349 HydrophobicContact CG2-CB 3.99Å; T86-F349 HydrophobicContact CG2-CD1 4.06Å; L89-F349 HydrophobicContact CD1-CD1 4.37Å; L89-F349 HydrophobicContact CD1-CE1 3.88Å; R309-F349 HydrophobicContact CG-CE1 3.97Å; R309-F349 HydrophobicContact CG-CZ 4.05Å; R309-F349 WeakPolarHBondContact O-CZ 3.19Å; T312-F349 HydrophobicContact CG2-CE2 3.88Å; Y313-F349 HydrophobicContact CD2-CB 4.37Å; Y313-F349 AromaticContact CD2-CD1 3.65Å; Y313-F349 HydrophobicContact CD2-CD1 3.65Å; Y313-F349 HydrophobicContact CD2-CD2 4.39Å; Y313-F349 AromaticContact CD2-CE1 3.95Å; Y313-F349 HydrophobicContact CD2-CE1 3.95Å; Y313-F349 AromaticContact CD2-CG 3.89Å; Y313-F349 HydrophobicContact CD2-CG 3.89Å; Y313-F349 HydrophobicContact CD2-CZ 4.46Å; Y313-F349 HydrophobicContact CE2-CD1 4.47Å; Y313-F349 HydrophobicContact CG-CE1 4.43Å; C316-F349 HydrophobicContact CB-CD2 4.48Å; C345-F349 CarbonylContact O-C 3.57Å; C345-F349 WeakPolarHBondContact O-CB 3.24Å; C345-F349 PolarHBondContact O-N 3.43Å; C345-F349 VanDerWaalsContact O-N 3.13Å; F349-I351 HydrophobicContact CB-CD1 3.7Å; F349-I351 HydrophobicContact CB-CG1 3.86Å; F349-I351 HydrophobicContact CG-CD1 4.44Å; F349-I351 PolarHBondContact O-N 2.93Å |
| 350 | G | 96.9 | Very high | 96.4 | Very high | 63 Ų | 63 | 50 Ų | 50 | 65% | 0.649 | 28% | 0.275 | S | S | * | . | trans | 66.9 | 15.7 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | C345 T346 | C345-G350 PolarHBondContact O-N 3.45Å; T346-G350 VanDerWaalsContact O-CA 3.27Å; T346-G350 WeakPolarHBondContact O-CA 3.27Å; T346-G350 PolarHBondContact O-N 2.97Å; T346-G350 VanDerWaalsContact O-N 3.08Å | ||
| 351 | I | 97.6 | Very high | 96.7 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 9% | 0.092 | 29% | 0.292 | C | S | . | . | trans | -85 | 119.7 | -179.6 | -63.9 | 168.3 | 0 | 0 | 0 | 108.7 | Y313 C316 T317 C345 T346 F349 Q353 L356 | Y313-I351 HydrophobicContact CD2-CD1 4.29Å; Y313-I351 HydrophobicContact CE2-CD1 4.05Å; C316-I351 HydrophobicContact CB-CD1 3.93Å; T317-I351 HydrophobicContact CG2-CD1 3.54Å; C345-I351 CarbonylContact C-O 3.4Å; C345-I351 HydrophobicContact CB-CB 4.28Å; C345-I351 PolarHBondContact O-N 3.47Å; T346-I351 WeakPolarHBondContact CA-O 3.48Å; T346-I351 WeakPolarHBondContact CB-O 3.46Å; T346-I351 PolarHBondContact N-O 3.1Å; T346-I351 VanDerWaalsContact N-O 3.11Å; T346-I351 PolarHBondContact OG1-O 3.28Å; F349-I351 HydrophobicContact CB-CD1 3.7Å; F349-I351 HydrophobicContact CB-CG1 3.86Å; F349-I351 HydrophobicContact CG-CD1 4.44Å; F349-I351 PolarHBondContact O-N 2.93Å; I351-Q353 PolarHBondContact O-N 2.96Å; I351-L356 HydrophobicContact CG2-CD2 4.08Å | ||
| 352 | S | 96.4 | Very high | 97 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | trans | -66 | 132.1 | 177.6 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | H354 S355 | S352-H354 PolarHBondContact O-N 2.78Å; S352-H354 PolarHBondContact OG-N 3.36Å; S352-S355 WeakPolarHBondContact O-CB 3.12Å; S352-S355 PolarHBondContact O-N 2.93Å; S352-S355 PolarHBondContact O-OG 2.9Å | ||
| 353 | Q | 95.3 | Very high | 97.1 | Very high | 59 Ų | 59 | 55.6 Ų | 55.6 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -54.2 | -35.3 | 173.8 | -64.9 | -176.7 | 4.6 | 0 | 0 | 112.3 | T342 K343 I351 S355 L356 | T342-Q353 VanDerWaalsContact C-NE2 3.34Å; T342-Q353 WeakPolarHBondContact O-CG 3.47Å; T342-Q353 PolarHBondContact O-NE2 3.44Å; K343-Q353 VanDerWaalsContact N-NE2 3.17Å; I351-Q353 PolarHBondContact O-N 2.96Å; Q353-S355 PolarHBondContact O-N 3.19Å; Q353-S355 VanDerWaalsContact O-N 3.15Å; Q353-L356 HydrophobicContact CB-CD1 4.49Å; Q353-L356 WeakPolarHBondContact O-CB 3.3Å; Q353-L356 WeakPolarHBondContact O-CG 3.44Å; Q353-L356 PolarHBondContact O-N 2.92Å; Q353-L356 VanDerWaalsContact O-N 3.12Å |
| 354 | H | 95.6 | Very high | 97.2 | Very high | 174 Ų | 174 | 53.4 Ų | 53.4 | 81% | 0.806 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -63.7 | -20.6 | 178.3 | -62 | -62.2 | 0 | 0 | 0 | 113.3 | S352 | S352-H354 PolarHBondContact O-N 2.78Å; S352-H354 PolarHBondContact OG-N 3.36Å |
| 355 | S | 97.3 | Very high | 97.3 | Very high | 29 Ų | 29 | 57.4 Ų | 57.4 | 20% | 0.203 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -83.7 | -21.2 | 177.6 | 75.5 | 0 | 0 | 0 | 0 | 113.5 | S352 Q353 S358 R359 | S352-S355 WeakPolarHBondContact O-CB 3.12Å; S352-S355 PolarHBondContact O-N 2.93Å; S352-S355 PolarHBondContact O-OG 2.9Å; Q353-S355 PolarHBondContact O-N 3.19Å; Q353-S355 VanDerWaalsContact O-N 3.15Å; S355-S358 PolarHBondContact O-N 3.42Å; S355-S358 PolarHBondContact O-OG 3.35Å; S355-R359 WeakPolarHBondContact O-CG 3.47Å; S355-R359 PolarHBondContact O-N 3.27Å; S355-R359 PolarHBondContact OG-NE 3.49Å; S355-R359 VanDerWaalsContact OG-NE 3.16Å |
| 356 | L | 98 | Very high | 97.3 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.2 | -46.7 | -172.8 | -55.7 | 176 | 0 | 0 | 0 | 113.1 | L157 C316 Y322 T342 I351 Q353 S358 R359 I360 | L157-L356 HydrophobicContact CD1-CB 3.85Å; L157-L356 HydrophobicContact CD1-CD1 4.03Å; C316-L356 HydrophobicContact CB-CD2 4.42Å; C316-L356 WeakPolarHBondContact O-CD2 3.37Å; Y322-L356 HydrophobicContact CE2-CD1 4.35Å; T342-L356 HydrophobicContact CG2-CD1 3.67Å; I351-L356 HydrophobicContact CG2-CD2 4.08Å; Q353-L356 HydrophobicContact CB-CD1 4.49Å; Q353-L356 WeakPolarHBondContact O-CB 3.3Å; Q353-L356 WeakPolarHBondContact O-CG 3.44Å; Q353-L356 PolarHBondContact O-N 2.92Å; Q353-L356 VanDerWaalsContact O-N 3.12Å; L356-S358 VanDerWaalsContact C-N 3.3Å; L356-S358 PolarHBondContact O-N 3.11Å; L356-R359 PolarHBondContact O-N 3.32Å; L356-I360 HydrophobicContact CB-CD1 4.47Å; L356-I360 WeakPolarHBondContact O-CD1 3.35Å; L356-I360 WeakPolarHBondContact O-CG1 3.34Å; L356-I360 PolarHBondContact O-N 2.95Å |
| 357 | P | 98.1 | Very high | 97.2 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.8 | -41.6 | -179.9 | -24.4 | 33.8 | 0 | 0 | 0 | 113.2 | L157 I360 A361 | L157-P357 HydrophobicContact CD2-CG 4.05Å; P357-I360 PolarHBondContact O-N 2.6Å; P357-A361 VanDerWaalsContact O-CB 3.28Å; P357-A361 WeakPolarHBondContact O-CB 3.48Å; P357-A361 PolarHBondContact O-N 3.31Å |
| 358 | S | 98.1 | Very high | 97.1 | Very high | 77 Ų | 77 | 53.4 Ų | 53.4 | 54% | 0.538 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.1 | -35.9 | -179.2 | 67.9 | 0 | 0 | 0 | 0 | 112.9 | S355 L356 F362 | S355-S358 PolarHBondContact O-N 3.42Å; S355-S358 PolarHBondContact O-OG 3.35Å; L356-S358 VanDerWaalsContact C-N 3.3Å; L356-S358 PolarHBondContact O-N 3.11Å; S358-F362 PolarHBondContact O-N 3.39Å |
| 359 | R | 97.7 | Very high | 96.9 | Very high | 99 Ų | 99 | 53.3 Ų | 53.3 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68 | -45 | 177.4 | -70.1 | 173 | 178.6 | -77.7 | 0.5 | 111.4 | T317 S355 L356 F362 T363 | T317-R359 WeakPolarHBondContact O-CB 3.35Å; S355-R359 WeakPolarHBondContact O-CG 3.47Å; S355-R359 PolarHBondContact O-N 3.27Å; S355-R359 PolarHBondContact OG-NE 3.49Å; S355-R359 VanDerWaalsContact OG-NE 3.16Å; L356-R359 PolarHBondContact O-N 3.32Å; R359-F362 WeakPolarHBondContact O-CB 3.27Å; R359-F362 PolarHBondContact O-N 2.76Å; R359-T363 PolarHBondContact O-N 2.75Å; R359-T363 PolarHBondContact O-OG1 3.3Å |
| 360 | I | 98.3 | Very high | 96.2 | Very high | 11 Ų | 11 | 56 Ų | 56 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.2 | -41 | 177.3 | -67.9 | 164.6 | 0 | 0 | 0 | 110.9 | A155 L157 L356 P357 F362 T363 N364 | A155-I360 HydrophobicContact CB-CG2 3.86Å; L157-I360 HydrophobicContact CB-CD1 3.55Å; L157-I360 HydrophobicContact CD1-CD1 3.56Å; L157-I360 HydrophobicContact CG-CD1 4.12Å; L356-I360 HydrophobicContact CB-CD1 4.47Å; L356-I360 WeakPolarHBondContact O-CD1 3.35Å; L356-I360 WeakPolarHBondContact O-CG1 3.34Å; L356-I360 PolarHBondContact O-N 2.95Å; P357-I360 PolarHBondContact O-N 2.6Å; I360-F362 VanDerWaalsContact C-N 3.29Å; I360-F362 PolarHBondContact O-N 3.07Å; I360-T363 WeakPolarHBondContact O-CB 3.41Å; I360-T363 PolarHBondContact O-N 3.22Å; I360-N364 PolarHBondContact O-N 3.45Å; I360-N364 PolarHBondContact O-ND2 3.48Å |
| 361 | A | 98.3 | Very high | 95.7 | Very high | 55 Ų | 55 | 58 Ų | 58 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P357 N364 S365 | P357-A361 VanDerWaalsContact O-CB 3.28Å; P357-A361 WeakPolarHBondContact O-CB 3.48Å; P357-A361 PolarHBondContact O-N 3.31Å; A361-N364 PolarHBondContact O-N 3.22Å; A361-S365 WeakPolarHBondContact O-CB 3.41Å; A361-S365 PolarHBondContact O-N 3.1Å |
| 362 | F | 98.1 | Very high | 95.1 | Very high | 114 Ų | 114 | 57.5 Ų | 57.5 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 174 | 172.7 | -101.9 | 0 | 0 | 0 | 112 | S358 R359 I360 N364 S365 Y366 | S358-F362 PolarHBondContact O-N 3.39Å; R359-F362 WeakPolarHBondContact O-CB 3.27Å; R359-F362 PolarHBondContact O-N 2.76Å; I360-F362 VanDerWaalsContact C-N 3.29Å; I360-F362 PolarHBondContact O-N 3.07Å; F362-N364 VanDerWaalsContact C-N 3.34Å; F362-N364 PolarHBondContact O-N 2.83Å; F362-S365 PolarHBondContact O-N 2.81Å; F362-Y366 HydrophobicContact CZ-CD2 4.23Å; F362-Y366 VanDerWaalsContact O-CB 3.27Å; F362-Y366 WeakPolarHBondContact O-CB 3.36Å; F362-Y366 PolarHBondContact O-N 2.83Å |
| 363 | T | 98.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.1 | -49.5 | 176.2 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | A155 E318 F319 R359 I360 S365 Y366 Y367 | A155-T363 HydrophobicContact CB-CG2 3.73Å; E318-T363 WeakPolarHBondContact CA-OG1 3.44Å; E318-T363 VanDerWaalsContact O-CB 3.29Å; E318-T363 WeakPolarHBondContact O-CB 3.46Å; E318-T363 PolarHBondContact O-OG1 3.11Å; F319-T363 HydrophobicContact CD1-CG2 4.02Å; F319-T363 HydrophobicContact CE1-CG2 4.03Å; R359-T363 PolarHBondContact O-N 2.75Å; R359-T363 PolarHBondContact O-OG1 3.3Å; I360-T363 WeakPolarHBondContact O-CB 3.41Å; I360-T363 PolarHBondContact O-N 3.22Å; T363-S365 PolarHBondContact O-N 3.39Å; T363-Y366 PolarHBondContact O-N 2.68Å; T363-Y367 HydrophobicContact CG2-CD2 3.76Å; T363-Y367 HydrophobicContact CG2-CE2 4.02Å; T363-Y367 VanDerWaalsContact O-CD2 3.27Å; T363-Y367 WeakPolarHBondContact O-CD2 3.44Å; T363-Y367 PolarHBondContact O-N 2.88Å |
| 364 | N | 98.1 | Very high | 93.9 | Very high | 39 Ų | 39 | 61 Ų | 61 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 177.8 | -74.1 | -34 | 0 | 0 | 0 | 112.7 | A155 I360 A361 F362 Y366 G368 G369 | A155-N364 PolarHBondContact N-OD1 3.14Å; A155-N364 PolarHBondContact O-ND2 3.49Å; A155-N364 PolarHBondContact O-OD1 3.07Å; I360-N364 PolarHBondContact O-N 3.45Å; I360-N364 PolarHBondContact O-ND2 3.48Å; A361-N364 PolarHBondContact O-N 3.22Å; F362-N364 VanDerWaalsContact C-N 3.34Å; F362-N364 PolarHBondContact O-N 2.83Å; N364-Y366 VanDerWaalsContact C-N 3.27Å; N364-Y366 PolarHBondContact O-N 3.16Å; N364-G368 CarbonylContact O-C 3.55Å; N364-G368 VanDerWaalsContact O-CA 3.3Å; N364-G368 WeakPolarHBondContact O-CA 3.5Å; N364-G368 PolarHBondContact O-N 2.93Å; N364-G369 PolarHBondContact O-N 2.69Å |
| 365 | S | 97 | Very high | 93.5 | Very high | 104 Ų | 104 | 56.5 Ų | 56.5 | 73% | 0.727 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65 | -34.1 | 176 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | A361 F362 T363 | A361-S365 WeakPolarHBondContact O-CB 3.41Å; A361-S365 PolarHBondContact O-N 3.1Å; F362-S365 PolarHBondContact O-N 2.81Å; T363-S365 PolarHBondContact O-N 3.39Å |
| 366 | Y | 96.8 | Very high | 93.3 | Very high | 78 Ų | 78 | 56.2 Ų | 56.2 | 31% | 0.306 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -76 | -37.9 | -177.9 | -172.3 | -98.7 | 0 | 0 | 0 | 111.6 | Q95 K138 F362 T363 N364 | Q95-Y366 HydrophobicContact CG-CD1 4.17Å; Q95-Y366 HydrophobicContact CG-CE1 3.67Å; K138-Y366 HydrophobicContact CD-CE1 4.37Å; K138-Y366 VanDerWaalsContact CE-O 3.22Å; K138-Y366 WeakPolarHBondContact CE-O 3.44Å; K138-Y366 PolarHBondContact NZ-O 2.8Å; F362-Y366 HydrophobicContact CZ-CD2 4.23Å; F362-Y366 VanDerWaalsContact O-CB 3.27Å; F362-Y366 WeakPolarHBondContact O-CB 3.36Å; F362-Y366 PolarHBondContact O-N 2.83Å; T363-Y366 PolarHBondContact O-N 2.68Å; N364-Y366 VanDerWaalsContact C-N 3.27Å; N364-Y366 PolarHBondContact O-N 3.16Å |
| 367 | Y | 96.1 | Very high | 93.2 | Very high | 15 Ų | 15 | 56.1 Ų | 56.1 | 6% | 0.059 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -103 | -17.8 | -175.3 | -63.9 | -59.4 | 0 | 0 | 0 | 115.6 | S94 Q95 L98 W134 T363 | S94-Y367 WeakPolarHBondContact CB-OH 3.46Å; S94-Y367 WeakPolarHBondContact OG-CE2 3.49Å; S94-Y367 PolarHBondContact OG-OH 3Å; Q95-Y367 PolarHBondContact N-OH 3.47Å; L98-Y367 HydrophobicContact CD1-CE1 3.64Å; W134-Y367 HydrophobicContact CB-CD1 3.82Å; W134-Y367 HydrophobicContact CB-CE1 3.83Å; W134-Y367 AromaticContact CD1-CD1 3.62Å; W134-Y367 AromaticContact CD1-CG 3.8Å; W134-Y367 AromaticContact CD2-CD1 3.66Å; W134-Y367 HydrophobicContact CD2-CD1 3.66Å; W134-Y367 HydrophobicContact CD2-CD2 4Å; W134-Y367 AromaticContact CD2-CE1 3.8Å; W134-Y367 HydrophobicContact CD2-CE1 3.8Å; W134-Y367 HydrophobicContact CD2-CE2 4.13Å; W134-Y367 AromaticContact CD2-CG 3.78Å; W134-Y367 HydrophobicContact CD2-CG 3.78Å; W134-Y367 AromaticContact CE2-CD2 3.79Å; W134-Y367 AromaticContact CE2-CG 3.63Å; W134-Y367 HydrophobicContact CE3-CD1 4.31Å; W134-Y367 HydrophobicContact CE3-CD2 4.29Å; W134-Y367 HydrophobicContact CE3-CE1 4Å; W134-Y367 AromaticContact CE3-CE2 3.98Å; W134-Y367 HydrophobicContact CE3-CE2 3.98Å; W134-Y367 HydrophobicContact CE3-CG 4.45Å; W134-Y367 AromaticContact CE3-CZ 3.83Å; W134-Y367 AromaticContact CG-CD1 3.4Å; W134-Y367 HydrophobicContact CG-CD1 3.4Å; W134-Y367 VanDerWaalsContact CG-CD1 3.4Å; W134-Y367 AromaticContact CG-CE1 3.74Å; W134-Y367 HydrophobicContact CG-CE1 3.74Å; W134-Y367 AromaticContact CG-CG 3.88Å; W134-Y367 HydrophobicContact CG-CG 3.88Å; W134-Y367 HydrophobicContact CH2-CD2 4.21Å; W134-Y367 HydrophobicContact CH2-CE2 4.23Å; W134-Y367 AromaticContact CZ2-CD2 3.89Å; W134-Y367 HydrophobicContact CZ2-CD2 3.89Å; W134-Y367 HydrophobicContact CZ2-CE2 4.35Å; W134-Y367 HydrophobicContact CZ2-CG 4.19Å; W134-Y367 HydrophobicContact CZ3-CD2 4.4Å; W134-Y367 HydrophobicContact CZ3-CE2 4.04Å; W134-Y367 AromaticContact NE1-CD1 3.96Å; W134-Y367 AromaticContact NE1-CG 3.65Å; T363-Y367 HydrophobicContact CG2-CD2 3.76Å; T363-Y367 HydrophobicContact CG2-CE2 4.02Å; T363-Y367 VanDerWaalsContact O-CD2 3.27Å; T363-Y367 WeakPolarHBondContact O-CD2 3.44Å; T363-Y367 PolarHBondContact O-N 2.88Å |
| 368 | G | 93.2 | Very high | 93.1 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 37% | 0.371 | 29% | 0.289 | S | S | . | . | trans | 96 | -0.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | N364 N371 | N364-G368 CarbonylContact O-C 3.55Å; N364-G368 VanDerWaalsContact O-CA 3.3Å; N364-G368 WeakPolarHBondContact O-CA 3.5Å; N364-G368 PolarHBondContact O-N 2.93Å; G368-N371 CarbonylContact O-C 3.58Å; G368-N371 PolarHBondContact O-N 3.29Å | ||
| 369 | G | 91.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -137.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | V153 N364 N371 P372 | V153-G369 VanDerWaalsContact CG2-O 3.32Å; V153-G369 WeakPolarHBondContact CG2-O 3.2Å; N364-G369 PolarHBondContact O-N 2.69Å; G369-N371 VanDerWaalsContact C-N 3.3Å; G369-P372 WeakPolarHBondContact O-CD 3.27Å |
| 370 | D | 83.9 | Confident | 93.1 | Very high | 70 Ų | 70 | 44.4 Ų | 44.4 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 2.7 | 177.9 | 56.3 | -17.6 | 0 | 0 | 0 | 114.1 | K154 | K154-D370 HydrophobicContact CB-CB 4.13Å; K154-D370 HydrophobicContact CD-CB 4.04Å; K154-D370 WeakPolarHBondContact CE-OD2 3.44Å; K154-D370 HydrophobicContact CG-CB 4.47Å; K154-D370 IonicContact NZ-OD1 3.51Å; K154-D370 IonicContact NZ-OD2 2.69Å; K154-D370 PolarHBondContact NZ-OD2 2.76Å |
| 371 | N | 86.9 | Confident | 93 | Very high | 105 Ų | 105 | 44 Ų | 44 | 56% | 0.561 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -126.3 | 60.5 | 168.3 | -171.2 | 32 | 0 | 0 | 0 | 111.4 | G368 G369 S396 | G368-N371 CarbonylContact O-C 3.58Å; G368-N371 PolarHBondContact O-N 3.29Å; G369-N371 VanDerWaalsContact C-N 3.3Å; N371-S396 VanDerWaalsContact OD1-CB 3.27Å; N371-S396 WeakPolarHBondContact OD1-CB 3.24Å; N371-S396 PolarHBondContact OD1-OG 3.49Å |
| 372 | P | 84.9 | Confident | 93 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | trans | -74.5 | 136.8 | -176.5 | 32.8 | -34.7 | 0 | 0 | 0 | 110.6 | G369 T374 Y379 V392 | G369-P372 WeakPolarHBondContact O-CD 3.27Å; P372-T374 HydrophobicContact CB-CG2 3.85Å; P372-T374 HydrophobicContact CG-CG2 4.41Å; P372-T374 PolarHBondContact O-N 3.08Å; P372-Y379 HydrophobicContact CG-CE2 4.26Å; P372-Y379 VanDerWaalsContact CG-OH 3.25Å; P372-Y379 WeakPolarHBondContact CG-OH 3.49Å; P372-V392 HydrophobicContact CG-CG2 3.69Å | ||
| 373 | N | 83.3 | Confident | 92.8 | Very high | 173 Ų | 173 | 36.5 Ų | 36.5 | 93% | 0.925 | 20% | 0.204 | S | C | * | . | trans | -78.3 | 66.2 | 170.2 | -171.5 | 20.5 | 0 | 0 | 0 | 110.2 | ||||
| 374 | T | 82.9 | Confident | 92.7 | Very high | 16 Ų | 16 | 36.6 Ų | 36.6 | 10% | 0.098 | 20% | 0.204 | C | C | . | . | trans | -108.5 | 141.7 | -176.1 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | P372 V377 Y379 | P372-T374 HydrophobicContact CB-CG2 3.85Å; P372-T374 HydrophobicContact CG-CG2 4.41Å; P372-T374 PolarHBondContact O-N 3.08Å; T374-V377 HydrophobicContact CG2-CG2 4.24Å; T374-Y379 PolarHBondContact OG1-OH 2.98Å | ||
| 375 | Y | 87.5 | Confident | 92.7 | Very high | 80 Ų | 80 | 34.7 Ų | 34.7 | 31% | 0.314 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -117.4 | 136 | 177 | 179.1 | -131.9 | 0 | 0 | 0 | 111.6 | R136 V377 E399 | R136-Y375 PolarHBondContact NE-O 3Å; Y375-V377 VanDerWaalsContact C-N 3.33Å; Y375-E399 HydrophobicContact CD2-CB 3.54Å; Y375-E399 HydrophobicContact CD2-CG 4.16Å; Y375-E399 WeakPolarHBondContact CD2-OE2 3.29Å; Y375-E399 HydrophobicContact CE2-CB 3.53Å; Y375-E399 HydrophobicContact CE2-CG 3.71Å; Y375-E399 WeakPolarHBondContact CE2-OE1 3.42Å; Y375-E399 WeakPolarHBondContact CE2-OE2 3.48Å; Y375-E399 VanDerWaalsContact CZ-OE1 3.24Å; Y375-E399 PolarHBondContact OH-OE1 3.3Å |
| 376 | R | 93 | Very high | 92.7 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 59.4 | 42.5 | -176.4 | -57.1 | 172.5 | -177.3 | 160.4 | 2.7 | 112.5 | Y144 G145 A146 W439 E446 | Y144-R376 VanDerWaalsContact CZ-CZ 3.44Å; Y144-R376 WeakPolarHBondContact O-CB 3.43Å; Y144-R376 VanDerWaalsContact O-CD 3.23Å; Y144-R376 WeakPolarHBondContact O-CD 3.21Å; Y144-R376 PolarHBondContact OH-NH1 3.16Å; Y144-R376 VanDerWaalsContact OH-NH1 3.15Å; Y144-R376 PolarHBondContact OH-NH2 3.29Å; G145-R376 CarbonylContact C-O 3.59Å; G145-R376 WeakPolarHBondContact CA-O 3.37Å; A146-R376 PolarHBondContact N-O 3.1Å; R376-W439 HydrophobicContact CB-CZ2 4.17Å; R376-W439 WeakPolarHBondContact O-CH2 3.4Å; R376-E446 IonicContact CZ-OE1 3.14Å; R376-E446 IonicContact CZ-OE2 2.71Å; R376-E446 IonicContact NH1-OE1 3.55Å; R376-E446 IonicContact NH1-OE2 3.38Å; R376-E446 PolarHBondContact NH1-OE2 3.07Å; R376-E446 IonicContact NH2-OE1 2.78Å; R376-E446 PolarHBondContact NH2-OE1 3.44Å; R376-E446 IonicContact NH2-OE2 3.32Å |
| 377 | V | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.8 | 168.6 | -175.3 | 0 | 0 | 0 | 0 | 107.7 | A133 R136 A146 A148 T374 Y375 Y379 Q401 | A133-V377 HydrophobicContact CB-CG1 3.75Å; R136-V377 HydrophobicContact CB-CG2 3.95Å; R136-V377 HydrophobicContact CG-CG2 3.58Å; A146-V377 HydrophobicContact CB-CG1 4.34Å; A146-V377 HydrophobicContact CB-CG2 4.33Å; A146-V377 WeakPolarHBondContact O-CA 3.45Å; A148-V377 HydrophobicContact CB-CG1 4.23Å; T374-V377 HydrophobicContact CG2-CG2 4.24Å; Y375-V377 VanDerWaalsContact C-N 3.33Å; V377-Y379 HydrophobicContact CB-CE2 3.89Å; V377-Y379 HydrophobicContact CG1-CD1 4.23Å; V377-Y379 HydrophobicContact CG1-CD2 4.05Å; V377-Y379 HydrophobicContact CG1-CE1 3.77Å; V377-Y379 HydrophobicContact CG1-CE2 3.57Å; V377-Y379 HydrophobicContact CG1-CG 4.36Å; V377-Y379 VanDerWaalsContact CG1-CZ 3.41Å; V377-Q401 PolarHBondContact O-N 3.13Å |
| 378 | L | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 108.1 | 175.3 | -174.3 | 70.4 | 0 | 0 | 0 | 107.9 | A146 V147 A148 V380 Q401 V403 I432 H435 W439 | A146-L378 PolarHBondContact O-N 3.15Å; V147-L378 HydrophobicContact CG2-CD2 4.43Å; A148-L378 PolarHBondContact N-O 3.06Å; L378-V380 HydrophobicContact CD2-CG2 4.2Å; L378-V380 HydrophobicContact CG-CG2 4.1Å; L378-Q401 CarbonylContact C-O 3.28Å; L378-Q401 VanDerWaalsContact CA-O 3.3Å; L378-Q401 WeakPolarHBondContact CA-O 3.49Å; L378-Q401 HydrophobicContact CD1-CB 3.63Å; L378-Q401 WeakPolarHBondContact CD1-O 3.39Å; L378-V403 HydrophobicContact CD1-CG2 3.7Å; L378-V403 HydrophobicContact CD2-CG2 4.36Å; L378-V403 HydrophobicContact CG-CG2 4.26Å; L378-I432 HydrophobicContact CD2-CB 4.09Å; L378-I432 HydrophobicContact CD2-CG1 3.83Å; L378-I432 HydrophobicContact CD2-CG2 4.02Å; L378-H435 HydrophobicContact CD1-CB 4.37Å; L378-H435 HydrophobicContact CD2-CB 3.91Å; L378-W439 HydrophobicContact CB-CH2 3.59Å; L378-W439 HydrophobicContact CB-CZ2 4.27Å; L378-W439 HydrophobicContact CB-CZ3 4.42Å |
| 379 | Y | 96.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 111.3 | 176.2 | -63.2 | -81.7 | 0 | 0 | 0 | 109 | A133 A148 V153 P372 T374 V377 V392 Q401 T402 V403 | A133-Y379 HydrophobicContact CB-CE1 3.72Å; A148-Y379 HydrophobicContact CB-CD1 4.12Å; A148-Y379 HydrophobicContact CB-CE1 4.39Å; V153-Y379 HydrophobicContact CG1-CE1 3.95Å; V153-Y379 HydrophobicContact CG2-CE1 4.41Å; P372-Y379 HydrophobicContact CG-CE2 4.26Å; P372-Y379 VanDerWaalsContact CG-OH 3.25Å; P372-Y379 WeakPolarHBondContact CG-OH 3.49Å; T374-Y379 PolarHBondContact OG1-OH 2.98Å; V377-Y379 HydrophobicContact CB-CE2 3.89Å; V377-Y379 HydrophobicContact CG1-CD1 4.23Å; V377-Y379 HydrophobicContact CG1-CD2 4.05Å; V377-Y379 HydrophobicContact CG1-CE1 3.77Å; V377-Y379 HydrophobicContact CG1-CE2 3.57Å; V377-Y379 HydrophobicContact CG1-CG 4.36Å; V377-Y379 VanDerWaalsContact CG1-CZ 3.41Å; Y379-V392 HydrophobicContact CD1-CB 4.09Å; Y379-V392 HydrophobicContact CD1-CG2 4.05Å; Y379-V392 HydrophobicContact CD2-CB 3.71Å; Y379-V392 HydrophobicContact CD2-CG1 4.08Å; Y379-V392 HydrophobicContact CD2-CG2 3.98Å; Y379-V392 HydrophobicContact CE1-CB 4.47Å; Y379-V392 HydrophobicContact CE1-CG2 3.94Å; Y379-V392 HydrophobicContact CE2-CB 4.11Å; Y379-V392 HydrophobicContact CE2-CG1 4.44Å; Y379-V392 HydrophobicContact CE2-CG2 3.86Å; Y379-V392 HydrophobicContact CG-CB 3.7Å; Y379-V392 HydrophobicContact CG-CG1 4.49Å; Y379-V392 HydrophobicContact CG-CG2 4.07Å; Y379-Q401 PolarHBondContact N-O 3.2Å; Y379-T402 CarbonylContact O-C 3.54Å; Y379-T402 VanDerWaalsContact O-CA 3.32Å; Y379-T402 WeakPolarHBondContact O-CA 3.47Å; Y379-V403 PolarHBondContact O-N 2.96Å |
| 380 | V | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131 | -179.6 | -172.1 | 0 | 0 | 0 | 0 | 108.4 | V147 A148 S150 L378 V403 I405 D413 I432 | V147-V380 HydrophobicContact CG1-CG2 4.13Å; A148-V380 PolarHBondContact O-N 3.43Å; S150-V380 WeakPolarHBondContact CA-O 3.44Å; S150-V380 PolarHBondContact N-O 2.71Å; L378-V380 HydrophobicContact CD2-CG2 4.2Å; L378-V380 HydrophobicContact CG-CG2 4.1Å; V380-V403 CarbonylContact C-O 3.6Å; V380-V403 WeakPolarHBondContact CA-O 3.5Å; V380-V403 HydrophobicContact CG1-CB 4.27Å; V380-V403 HydrophobicContact CG1-CG1 4.24Å; V380-V403 HydrophobicContact CG2-CB 4.3Å; V380-I405 HydrophobicContact CG1-CD1 3.99Å; V380-I405 HydrophobicContact CG1-CG1 4.46Å; V380-D413 HydrophobicContact CG1-CB 4.23Å; V380-I432 HydrophobicContact CB-CD1 4.43Å; V380-I432 HydrophobicContact CG1-CD1 3.89Å; V380-I432 HydrophobicContact CG2-CD1 3.73Å; V380-I432 HydrophobicContact CG2-CG1 3.83Å |
| 381 | N | 97.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.011 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 134.9 | -178.4 | -69 | -71.5 | 0 | 0 | 0 | 112 | K388 S391 V392 V393 V403 F404 I405 | N381-K388 HydrophobicContact CB-CB 4.26Å; N381-S391 VanDerWaalsContact CG-OG 3.31Å; N381-S391 PolarHBondContact ND2-OG 3.08Å; N381-S391 VanDerWaalsContact ND2-OG 3.1Å; N381-S391 WeakPolarHBondContact OD1-CB 3.43Å; N381-S391 PolarHBondContact OD1-OG 3.44Å; N381-V392 PolarHBondContact ND2-O 3.49Å; N381-V393 HydrophobicContact CB-CG1 4.32Å; N381-V403 PolarHBondContact N-O 2.44Å; N381-F404 HydrophobicContact CB-CD2 4.12Å; N381-I405 PolarHBondContact O-N 3.49Å |
| 382 | G | 96.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 140.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D385 I405 T408 | G382-D385 WeakPolarHBondContact O-CB 3.5Å; G382-D385 PolarHBondContact O-N 3.33Å; G382-I405 CarbonylContact C-O 3.28Å; G382-T408 CarbonylContact C-O 3.48Å; G382-T408 VanDerWaalsContact C-O 3.28Å; G382-T408 WeakPolarHBondContact CA-O 3.39Å |
| 383 | G | 95.2 | Very high | 94.2 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 10% | 0.103 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -77.4 | -21.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | K388 F404 I405 K406 T408 | G383-K388 PolarHBondContact O-NZ 3.03Å; G383-F404 VanDerWaalsContact CA-CZ 3.47Å; G383-I405 PolarHBondContact N-O 2.86Å; G383-K406 VanDerWaalsContact CA-O 3.27Å; G383-K406 WeakPolarHBondContact CA-O 3.38Å; G383-T408 PolarHBondContact N-O 2.97Å; G383-T408 VanDerWaalsContact N-O 3.16Å |
| 384 | V | 96.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -99.8 | -3.7 | 170.6 | -60.9 | 0 | 0 | 0 | 0 | 113.2 | V175 V235 P386 T408 A409 | V175-V384 HydrophobicContact CG1-CG1 4.1Å; V175-V384 HydrophobicContact CG2-CG1 4.09Å; V235-V384 WeakPolarHBondContact CG1-O 3.36Å; V384-P386 WeakPolarHBondContact O-CD 3.49Å; V384-T408 WeakPolarHBondContact CG2-O 3.34Å; V384-T408 PolarHBondContact N-O 3.46Å; V384-A409 HydrophobicContact CG2-CB 4.44Å |
| 385 | D | 97.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -69.2 | 120.4 | 174.8 | 176.8 | 17 | 0 | 0 | 0 | 111.1 | S150 G382 W387 K388 H410 | S150-D385 VanDerWaalsContact CB-OD2 3.25Å; S150-D385 WeakPolarHBondContact CB-OD2 3.42Å; S150-D385 PolarHBondContact OG-OD2 3.33Å; G382-D385 WeakPolarHBondContact O-CB 3.5Å; G382-D385 PolarHBondContact O-N 3.33Å; D385-W387 VanDerWaalsContact C-N 3.26Å; D385-W387 PolarHBondContact O-N 2.98Å; D385-W387 WeakPolarHBondContact OD1-CB 3.39Å; D385-W387 PolarHBondContact OD1-N 3.5Å; D385-K388 WeakPolarHBondContact O-CD 3.39Å; D385-K388 VanDerWaalsContact O-CG 3.23Å; D385-K388 WeakPolarHBondContact O-CG 3.43Å; D385-K388 PolarHBondContact O-N 3.35Å; D385-H410 HydrophobicContact CB-CB 4.36Å; D385-H410 IonicContact OD1-CG 3.42Å; D385-H410 IonicContact OD1-ND1 3.37Å; D385-H410 PolarHBondContact OD1-ND1 2.99Å; D385-H410 IonicContact OD2-CE1 3.1Å; D385-H410 IonicContact OD2-CG 2.66Å; D385-H410 IonicContact OD2-ND1 2.59Å; D385-H410 PolarHBondContact OD2-ND1 2.69Å | ||
| 386 | P | 97.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -62.7 | -28.9 | 175.8 | -24 | 36.9 | 0 | 0 | 0 | 114.4 | F159 Y162 V165 V166 V235 V384 K388 | F159-P386 WeakPolarHBondContact CZ-O 3.45Å; Y162-P386 HydrophobicContact CD1-CB 3.9Å; Y162-P386 HydrophobicContact CD1-CG 4.37Å; Y162-P386 HydrophobicContact CD2-CB 3.42Å; Y162-P386 VanDerWaalsContact CD2-CB 3.42Å; Y162-P386 HydrophobicContact CD2-CG 4.4Å; Y162-P386 HydrophobicContact CE1-CB 3.88Å; Y162-P386 HydrophobicContact CE1-CG 3.93Å; Y162-P386 HydrophobicContact CE2-CB 3.47Å; Y162-P386 VanDerWaalsContact CE2-CB 3.47Å; Y162-P386 HydrophobicContact CE2-CG 4.03Å; Y162-P386 HydrophobicContact CG-CB 3.64Å; V165-P386 HydrophobicContact CB-CB 4.22Å; V165-P386 HydrophobicContact CG1-CB 4.36Å; V165-P386 HydrophobicContact CG1-CG 4.44Å; V166-P386 HydrophobicContact CG2-CB 4.23Å; V166-P386 HydrophobicContact CG2-CG 3.48Å; V166-P386 VanDerWaalsContact CG2-CG 3.48Å; V235-P386 HydrophobicContact CG1-CG 4.48Å; V384-P386 WeakPolarHBondContact O-CD 3.49Å; P386-K388 PolarHBondContact O-N 3.14Å |
| 387 | W | 98.1 | Very high | 89.6 | Confident | 17 Ų | 17 | 28.4 Ų | 28.4 | 6% | 0.064 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -70.5 | -14.3 | -176.9 | -71.2 | 102.1 | 0 | 0 | 0 | 114.2 | P152 F159 Y162 F321 D385 E389 L390 H410 | P152-W387 HydrophobicContact CB-CE3 3.7Å; P152-W387 HydrophobicContact CB-CZ3 4.18Å; P152-W387 HydrophobicContact CG-CE3 3.98Å; P152-W387 HydrophobicContact CG-CZ3 4.33Å; F159-W387 HydrophobicContact CD1-CE3 4.38Å; F159-W387 HydrophobicContact CD1-CZ3 4.07Å; F159-W387 HydrophobicContact CE1-CD2 4.25Å; F159-W387 AromaticContact CE1-CE3 3.63Å; F159-W387 HydrophobicContact CE1-CE3 3.63Å; F159-W387 AromaticContact CE1-CZ3 3.79Å; F159-W387 HydrophobicContact CE1-CZ3 3.79Å; Y162-W387 HydrophobicContact CE2-CD2 4.36Å; Y162-W387 AromaticContact CE2-CE2 3.84Å; Y162-W387 HydrophobicContact CE2-CG 4.48Å; Y162-W387 HydrophobicContact CE2-CZ2 4.27Å; Y162-W387 AromaticContact CE2-NE1 3.6Å; F321-W387 HydrophobicContact CB-CH2 3.76Å; F321-W387 HydrophobicContact CB-CZ3 3.9Å; F321-W387 HydrophobicContact CD1-CZ3 4.11Å; F321-W387 AromaticContact CD2-CH2 3.9Å; F321-W387 HydrophobicContact CD2-CH2 3.9Å; F321-W387 AromaticContact CD2-CZ3 3.74Å; F321-W387 HydrophobicContact CD2-CZ3 3.74Å; F321-W387 HydrophobicContact CE2-CZ3 4.18Å; F321-W387 AromaticContact CG-CH2 3.96Å; F321-W387 HydrophobicContact CG-CH2 3.96Å; F321-W387 AromaticContact CG-CZ3 3.69Å; F321-W387 HydrophobicContact CG-CZ3 3.69Å; D385-W387 VanDerWaalsContact C-N 3.26Å; D385-W387 PolarHBondContact O-N 2.98Å; D385-W387 WeakPolarHBondContact OD1-CB 3.39Å; D385-W387 PolarHBondContact OD1-N 3.5Å; W387-E389 PolarHBondContact O-N 3.34Å; W387-E389 VanDerWaalsContact O-N 3.08Å; W387-L390 HydrophobicContact CE3-CD1 4.15Å; W387-L390 HydrophobicContact CZ3-CD1 4.06Å; W387-L390 PolarHBondContact O-N 3.28Å; W387-H410 AromaticContact CD1-CE1 3.33Å; W387-H410 AromaticContact CD1-ND1 3.44Å; W387-H410 AromaticContact CD1-NE2 3.99Å; W387-H410 AromaticContact CG-CE1 3.63Å; W387-H410 AromaticContact CG-ND1 3.91Å |
| 388 | K | 96.4 | Very high | 87.4 | Confident | 28 Ų | 28 | 37.9 Ų | 37.9 | 12% | 0.122 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -55.1 | -28.7 | 178.1 | 76.7 | -172.7 | 177.2 | -174.8 | 0 | 113.1 | N381 G383 D385 P386 L390 S391 V393 F404 | N381-K388 HydrophobicContact CB-CB 4.26Å; G383-K388 PolarHBondContact O-NZ 3.03Å; D385-K388 WeakPolarHBondContact O-CD 3.39Å; D385-K388 VanDerWaalsContact O-CG 3.23Å; D385-K388 WeakPolarHBondContact O-CG 3.43Å; D385-K388 PolarHBondContact O-N 3.35Å; P386-K388 PolarHBondContact O-N 3.14Å; K388-L390 PolarHBondContact O-N 2.94Å; K388-S391 WeakPolarHBondContact O-CB 3.32Å; K388-S391 PolarHBondContact O-N 2.89Å; K388-S391 VanDerWaalsContact O-N 3.07Å; K388-V393 HydrophobicContact CB-CG1 4.19Å; K388-V393 VanDerWaalsContact O-CG1 3.32Å; K388-V393 WeakPolarHBondContact O-CG1 3.46Å; K388-F404 HydrophobicContact CD-CE2 4.29Å |
| 389 | E | 96.3 | Very high | 85.2 | Confident | 87 Ų | 87 | 42.5 Ų | 42.5 | 41% | 0.407 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -66.5 | -16.9 | -179.8 | -62.9 | -59.7 | 138 | 0 | 0 | 113.1 | F159 E161 V165 W387 | F159-E389 HydrophobicContact CE2-CB 3.79Å; F159-E389 HydrophobicContact CZ-CB 4.12Å; E161-E389 HydrophobicContact CB-CB 4.37Å; E161-E389 HydrophobicContact CB-CG 4.14Å; V165-E389 HydrophobicContact CG2-CG 3.57Å; W387-E389 PolarHBondContact O-N 3.34Å; W387-E389 VanDerWaalsContact O-N 3.08Å |
| 390 | L | 97.3 | Very high | 83.3 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -108.6 | 8.5 | 176 | -59.3 | -176.7 | 0 | 0 | 0 | 112.7 | P152 V153 K154 K156 F159 F321 W387 K388 | P152-L390 CarbonylContact C-O 3.5Å; P152-L390 WeakPolarHBondContact CA-O 3.37Å; P152-L390 HydrophobicContact CB-CB 3.83Å; P152-L390 HydrophobicContact CB-CD1 4.48Å; V153-L390 PolarHBondContact N-O 3.29Å; K154-L390 HydrophobicContact CB-CB 4.37Å; K154-L390 HydrophobicContact CB-CD2 4.45Å; K154-L390 WeakPolarHBondContact CB-O 3.4Å; K154-L390 HydrophobicContact CD-CD2 4.26Å; K154-L390 PolarHBondContact N-O 3.44Å; K156-L390 HydrophobicContact CB-CD1 4.45Å; K156-L390 HydrophobicContact CB-CD2 3.79Å; K156-L390 HydrophobicContact CD-CD2 3.86Å; K156-L390 HydrophobicContact CG-CD2 4.47Å; F159-L390 HydrophobicContact CD1-CD1 3.5Å; F159-L390 HydrophobicContact CD1-CG 4.3Å; F159-L390 HydrophobicContact CD2-CD1 4.04Å; F159-L390 HydrophobicContact CD2-CD2 4.16Å; F159-L390 HydrophobicContact CD2-CG 4.11Å; F159-L390 HydrophobicContact CE1-CD1 3.39Å; F159-L390 HydrophobicContact CE1-CG 3.87Å; F159-L390 HydrophobicContact CE2-CD1 3.98Å; F159-L390 HydrophobicContact CE2-CD2 4.06Å; F159-L390 HydrophobicContact CE2-CG 3.7Å; F159-L390 HydrophobicContact CG-CD1 3.83Å; F159-L390 HydrophobicContact CG-CG 4.41Å; F159-L390 HydrophobicContact CZ-CD1 3.67Å; F159-L390 HydrophobicContact CZ-CD2 4.43Å; F159-L390 HydrophobicContact CZ-CG 3.58Å; F321-L390 HydrophobicContact CD1-CD1 3.49Å; F321-L390 VanDerWaalsContact CD1-CD1 3.49Å; F321-L390 HydrophobicContact CE1-CD1 3.48Å; F321-L390 VanDerWaalsContact CE1-CD1 3.48Å; F321-L390 HydrophobicContact CG-CD1 4.46Å; F321-L390 HydrophobicContact CZ-CD1 4.41Å; W387-L390 HydrophobicContact CE3-CD1 4.15Å; W387-L390 HydrophobicContact CZ3-CD1 4.06Å; W387-L390 PolarHBondContact O-N 3.28Å; K388-L390 PolarHBondContact O-N 2.94Å |
| 391 | S | 95.8 | Very high | 82.4 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -106.2 | 175.3 | -179.9 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | A151 N381 K388 V393 | A151-S391 WeakPolarHBondContact O-CA 3.29Å; A151-S391 VanDerWaalsContact O-CB 3.23Å; A151-S391 WeakPolarHBondContact O-CB 3.1Å; A151-S391 PolarHBondContact O-OG 3.44Å; N381-S391 VanDerWaalsContact CG-OG 3.31Å; N381-S391 PolarHBondContact ND2-OG 3.08Å; N381-S391 VanDerWaalsContact ND2-OG 3.1Å; N381-S391 WeakPolarHBondContact OD1-CB 3.43Å; N381-S391 PolarHBondContact OD1-OG 3.44Å; K388-S391 WeakPolarHBondContact O-CB 3.32Å; K388-S391 PolarHBondContact O-N 2.89Å; K388-S391 VanDerWaalsContact O-N 3.07Å; S391-V393 PolarHBondContact O-N 3.16Å |
| 392 | V | 93.3 | Very high | 82.1 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | trans | -86.4 | 106.9 | 169.2 | -174 | 0 | 0 | 0 | 0 | 108.2 | V153 P372 Y379 N381 Q394 T402 | V153-V392 HydrophobicContact CG2-CG2 3.9Å; P372-V392 HydrophobicContact CG-CG2 3.69Å; Y379-V392 HydrophobicContact CD1-CB 4.09Å; Y379-V392 HydrophobicContact CD1-CG2 4.05Å; Y379-V392 HydrophobicContact CD2-CB 3.71Å; Y379-V392 HydrophobicContact CD2-CG1 4.08Å; Y379-V392 HydrophobicContact CD2-CG2 3.98Å; Y379-V392 HydrophobicContact CE1-CB 4.47Å; Y379-V392 HydrophobicContact CE1-CG2 3.94Å; Y379-V392 HydrophobicContact CE2-CB 4.11Å; Y379-V392 HydrophobicContact CE2-CG1 4.44Å; Y379-V392 HydrophobicContact CE2-CG2 3.86Å; Y379-V392 HydrophobicContact CG-CB 3.7Å; Y379-V392 HydrophobicContact CG-CG1 4.49Å; Y379-V392 HydrophobicContact CG-CG2 4.07Å; N381-V392 PolarHBondContact ND2-O 3.49Å; V392-Q394 WeakPolarHBondContact CG1-O 3.2Å; V392-T402 HydrophobicContact CG1-CG2 4.09Å; V392-T402 WeakPolarHBondContact O-CG2 3.44Å | ||
| 393 | V | 87.4 | Confident | 82 | Confident | 61 Ų | 61 | 46 Ų | 46 | 37% | 0.37 | 24% | 0.241 | S | C | . | . | trans | -107.7 | -7.8 | -177.4 | -66.3 | 0 | 0 | 0 | 0 | 114 | N381 K388 S391 | N381-V393 HydrophobicContact CB-CG1 4.32Å; K388-V393 HydrophobicContact CB-CG1 4.19Å; K388-V393 VanDerWaalsContact O-CG1 3.32Å; K388-V393 WeakPolarHBondContact O-CG1 3.46Å; S391-V393 PolarHBondContact O-N 3.16Å | ||
| 394 | Q | 77.9 | Confident | 82 | Confident | 157 Ų | 157 | 50.5 Ų | 50.5 | 73% | 0.734 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -130.4 | 141.1 | 176.5 | -67.4 | -179.9 | 8.5 | 0 | 0 | 109.6 | V392 S396 | V392-Q394 WeakPolarHBondContact CG1-O 3.2Å; Q394-S396 PolarHBondContact O-N 3.13Å |
| 395 | D | 64.8 | Low | 81.9 | Confident | 97 Ų | 97 | 50.7 Ų | 50.7 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | trans | -70.2 | 111.4 | 177 | -65.2 | -23.2 | 0 | 0 | 0 | 109.6 | T402 | D395-T402 VanDerWaalsContact OD1-CB 3.31Å; D395-T402 WeakPolarHBondContact OD1-CB 3.34Å; D395-T402 VanDerWaalsContact OD1-CG2 3.28Å; D395-T402 WeakPolarHBondContact OD1-CG2 3.33Å; D395-T402 PolarHBondContact OD1-N 3.21Å; D395-T402 PolarHBondContact OD1-OG1 3.33Å | ||
| 396 | S | 54.4 | Low | 81.7 | Confident | 68 Ų | 68 | 58 Ų | 58 | 48% | 0.476 | 29% | 0.291 | S | S | . | . | trans | -92 | -5.8 | 175.8 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | N371 Q394 | N371-S396 VanDerWaalsContact OD1-CB 3.27Å; N371-S396 WeakPolarHBondContact OD1-CB 3.24Å; N371-S396 PolarHBondContact OD1-OG 3.49Å; Q394-S396 PolarHBondContact O-N 3.13Å | ||
| 397 | S | 52.9 | Low | 81.4 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 39% | 0.385 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -147.3 | 161.9 | 178.4 | 72.1 | 0 | 0 | 0 | 0 | 112.2 | E399 S400 | S397-E399 PolarHBondContact O-N 2.94Å; S397-E399 VanDerWaalsContact O-N 3.11Å; S397-S400 PolarHBondContact N-OG 3.27Å; S397-S400 PolarHBondContact O-OG 3.42Å; S397-S400 VanDerWaalsContact OG-CB 3.27Å; S397-S400 WeakPolarHBondContact OG-CB 3.32Å; S397-S400 PolarHBondContact OG-N 3.17Å; S397-S400 PolarHBondContact OG-OG 2.93Å |
| 398 | E | 49.8 | Very low | 81.2 | Confident | 199 Ų | 199 | 58.7 Ų | 58.7 | 93% | 0.93 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -62.7 | -13.8 | 177.7 | -70.3 | -173.3 | 159.2 | 0 | 0 | 114 | ||
| 399 | E | 50.6 | Low | 81.2 | Confident | 97 Ų | 97 | 57.4 Ų | 57.4 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -125.4 | -11.9 | -172.7 | -64.6 | -171.5 | 124 | 0 | 0 | 115.4 | Y375 S397 | Y375-E399 HydrophobicContact CD2-CB 3.54Å; Y375-E399 HydrophobicContact CD2-CG 4.16Å; Y375-E399 WeakPolarHBondContact CD2-OE2 3.29Å; Y375-E399 HydrophobicContact CE2-CB 3.53Å; Y375-E399 HydrophobicContact CE2-CG 3.71Å; Y375-E399 WeakPolarHBondContact CE2-OE1 3.42Å; Y375-E399 WeakPolarHBondContact CE2-OE2 3.48Å; Y375-E399 VanDerWaalsContact CZ-OE1 3.24Å; Y375-E399 PolarHBondContact OH-OE1 3.3Å; S397-E399 PolarHBondContact O-N 2.94Å; S397-E399 VanDerWaalsContact O-N 3.11Å |
| 400 | S | 55.7 | Low | 81.2 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | trans | -76.1 | 124.8 | 163.6 | 58.5 | 0 | 0 | 0 | 0 | 108.3 | S397 | S397-S400 PolarHBondContact N-OG 3.27Å; S397-S400 PolarHBondContact O-OG 3.42Å; S397-S400 VanDerWaalsContact OG-CB 3.27Å; S397-S400 WeakPolarHBondContact OG-CB 3.32Å; S397-S400 PolarHBondContact OG-N 3.17Å; S397-S400 PolarHBondContact OG-OG 2.93Å | ||
| 401 | Q | 78.5 | Confident | 81.2 | Confident | 40 Ų | 40 | 54.6 Ų | 54.6 | 19% | 0.187 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122.8 | -172.4 | -69.4 | 170.2 | -31.7 | 0 | 0 | 108.5 | V377 L378 Y379 H435 | V377-Q401 PolarHBondContact O-N 3.13Å; L378-Q401 CarbonylContact C-O 3.28Å; L378-Q401 VanDerWaalsContact CA-O 3.3Å; L378-Q401 WeakPolarHBondContact CA-O 3.49Å; L378-Q401 HydrophobicContact CD1-CB 3.63Å; L378-Q401 WeakPolarHBondContact CD1-O 3.39Å; Y379-Q401 PolarHBondContact N-O 3.2Å; Q401-H435 PolarHBondContact NE2-CE1 3.24Å; Q401-H435 PolarHBondContact OE1-CE1 2.96Å; Q401-H435 PolarHBondContact OE1-ND1 3.07Å |
| 402 | T | 90.9 | Very high | 81.2 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 19% | 0.19 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 142.2 | 173.5 | 55.9 | 0 | 0 | 0 | 0 | 110.4 | Y379 V392 D395 | Y379-T402 CarbonylContact O-C 3.54Å; Y379-T402 VanDerWaalsContact O-CA 3.32Å; Y379-T402 WeakPolarHBondContact O-CA 3.47Å; V392-T402 HydrophobicContact CG1-CG2 4.09Å; V392-T402 WeakPolarHBondContact O-CG2 3.44Å; D395-T402 VanDerWaalsContact OD1-CB 3.31Å; D395-T402 WeakPolarHBondContact OD1-CB 3.34Å; D395-T402 VanDerWaalsContact OD1-CG2 3.28Å; D395-T402 WeakPolarHBondContact OD1-CG2 3.33Å; D395-T402 PolarHBondContact OD1-N 3.21Å; D395-T402 PolarHBondContact OD1-OG1 3.33Å |
| 403 | V | 94.6 | Very high | 81.4 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 109.2 | 168.4 | 173.2 | 0 | 0 | 0 | 0 | 107.4 | L378 Y379 V380 N381 I405 E431 I432 | L378-V403 HydrophobicContact CD1-CG2 3.7Å; L378-V403 HydrophobicContact CD2-CG2 4.36Å; L378-V403 HydrophobicContact CG-CG2 4.26Å; Y379-V403 PolarHBondContact O-N 2.96Å; V380-V403 CarbonylContact C-O 3.6Å; V380-V403 WeakPolarHBondContact CA-O 3.5Å; V380-V403 HydrophobicContact CG1-CB 4.27Å; V380-V403 HydrophobicContact CG1-CG1 4.24Å; V380-V403 HydrophobicContact CG2-CB 4.3Å; N381-V403 PolarHBondContact N-O 2.44Å; V403-I405 HydrophobicContact CG1-CD1 4.46Å; V403-I405 HydrophobicContact CG1-CG1 4.05Å; V403-E431 HydrophobicContact CG2-CB 4.34Å; V403-I432 HydrophobicContact CG1-CG1 4.49Å; V403-I432 HydrophobicContact CG2-CG1 4.49Å |
| 404 | F | 95.1 | Very high | 81.9 | Confident | 106 Ų | 106 | 53 Ų | 53 | 47% | 0.465 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 117.5 | -179.5 | -174.4 | -99.7 | 0 | 0 | 0 | 111.1 | N381 G383 K388 K406 | N381-F404 HydrophobicContact CB-CD2 4.12Å; G383-F404 VanDerWaalsContact CA-CZ 3.47Å; K388-F404 HydrophobicContact CD-CE2 4.29Å; F404-K406 HydrophobicContact CE1-CB 4.4Å |
| 405 | I | 95.6 | Very high | 82.6 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 96.7 | -175.4 | -46.9 | 178.6 | 0 | 0 | 0 | 109.5 | V380 N381 G382 G383 V403 D407 T408 D413 L425 | V380-I405 HydrophobicContact CG1-CD1 3.99Å; V380-I405 HydrophobicContact CG1-CG1 4.46Å; N381-I405 PolarHBondContact O-N 3.49Å; G382-I405 CarbonylContact C-O 3.28Å; G383-I405 PolarHBondContact N-O 2.86Å; V403-I405 HydrophobicContact CG1-CD1 4.46Å; V403-I405 HydrophobicContact CG1-CG1 4.05Å; I405-D407 PolarHBondContact O-N 3.3Å; I405-D407 VanDerWaalsContact O-N 3.1Å; I405-T408 HydrophobicContact CB-CG2 4.35Å; I405-T408 HydrophobicContact CG2-CG2 4.12Å; I405-T408 WeakPolarHBondContact CG2-OG1 3.31Å; I405-T408 PolarHBondContact O-N 2.85Å; I405-D413 HydrophobicContact CD1-CB 4.11Å; I405-L425 HydrophobicContact CD1-CD1 4.22Å |
| 406 | K | 92.3 | Very high | 83.9 | Confident | 154 Ų | 154 | 49 Ų | 49 | 67% | 0.67 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -38.1 | -162.4 | -175.2 | 177.8 | 177.4 | -178.2 | 0 | 117.5 | G383 F404 | G383-K406 VanDerWaalsContact CA-O 3.27Å; G383-K406 WeakPolarHBondContact CA-O 3.38Å; F404-K406 HydrophobicContact CE1-CB 4.4Å |
| 407 | D | 91.9 | Very high | 85.6 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 13% | 0.134 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | 37.1 | -171.1 | 63.8 | -33.7 | 0 | 0 | 0 | 111.3 | A174 V175 I405 R422 S424 | A174-D407 HydrophobicContact CB-CB 4.21Å; V175-D407 HydrophobicContact CG1-CB 3.97Å; I405-D407 PolarHBondContact O-N 3.3Å; I405-D407 VanDerWaalsContact O-N 3.1Å; D407-R422 WeakPolarHBondContact O-CD 3.12Å; D407-R422 WeakPolarHBondContact OD2-CD 3.37Å; D407-R422 IonicContact OD2-CZ 4Å; D407-R422 IonicContact OD2-NH1 3.83Å; D407-R422 PolarHBondContact OD2-NH1 2.95Å; D407-S424 WeakPolarHBondContact OD1-CB 3.36Å; D407-S424 PolarHBondContact OD1-OG 2.64Å |
| 408 | T | 93.8 | Very high | 87.5 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | trans | -123.1 | 148.6 | -175.7 | -72.7 | 0 | 0 | 0 | 0 | 111.2 | G382 G383 V384 I405 A412 L425 | G382-T408 CarbonylContact C-O 3.48Å; G382-T408 VanDerWaalsContact C-O 3.28Å; G382-T408 WeakPolarHBondContact CA-O 3.39Å; G383-T408 PolarHBondContact N-O 2.97Å; G383-T408 VanDerWaalsContact N-O 3.16Å; V384-T408 WeakPolarHBondContact CG2-O 3.34Å; V384-T408 PolarHBondContact N-O 3.46Å; I405-T408 HydrophobicContact CB-CG2 4.35Å; I405-T408 HydrophobicContact CG2-CG2 4.12Å; I405-T408 WeakPolarHBondContact CG2-OG1 3.31Å; I405-T408 PolarHBondContact O-N 2.85Å; T408-A412 HydrophobicContact CG2-CB 3.4Å; T408-A412 VanDerWaalsContact CG2-CB 3.4Å; T408-L425 HydrophobicContact CG2-CD1 3.91Å | ||
| 409 | A | 95.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | trans | -86.2 | -176.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q236 N238 E240 V384 C411 | Q236-A409 WeakPolarHBondContact O-CB 3.39Å; N238-A409 HydrophobicContact CB-CB 4.11Å; N238-A409 WeakPolarHBondContact O-CB 3.03Å; E240-A409 HydrophobicContact CG-CB 4.22Å; V384-A409 HydrophobicContact CG2-CB 4.44Å; A409-C411 PolarHBondContact O-N 3.04Å | ||
| 410 | H | 97.5 | Very high | 91.3 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 3% | 0.032 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 124.9 | -178.1 | -166.8 | 71.5 | 0 | 0 | 0 | 111.7 | S126 S150 Q236 D385 W387 A412 | S126-H410 WeakPolarHBondContact CB-NE2 3.21Å; S126-H410 PolarHBondContact OG-NE2 3.27Å; S150-H410 VanDerWaalsContact CB-CE1 3.48Å; S150-H410 WeakPolarHBondContact CB-CE1 3.28Å; S150-H410 VanDerWaalsContact CB-ND1 3.33Å; S150-H410 WeakPolarHBondContact CB-ND1 3.42Å; S150-H410 PolarHBondContact O-CE1 3.26Å; Q236-H410 HydrophobicContact CG-CB 3.58Å; Q236-H410 WeakPolarHBondContact O-CB 3.47Å; Q236-H410 PolarHBondContact O-N 2.91Å; D385-H410 HydrophobicContact CB-CB 4.36Å; D385-H410 IonicContact OD1-CG 3.42Å; D385-H410 IonicContact OD1-ND1 3.37Å; D385-H410 PolarHBondContact OD1-ND1 2.99Å; D385-H410 IonicContact OD2-CE1 3.1Å; D385-H410 IonicContact OD2-CG 2.66Å; D385-H410 IonicContact OD2-ND1 2.59Å; D385-H410 PolarHBondContact OD2-ND1 2.69Å; W387-H410 AromaticContact CD1-CE1 3.33Å; W387-H410 AromaticContact CD1-ND1 3.44Å; W387-H410 AromaticContact CD1-NE2 3.99Å; W387-H410 AromaticContact CG-CE1 3.63Å; W387-H410 AromaticContact CG-ND1 3.91Å; H410-A412 PolarHBondContact O-N 2.93Å |
| 411 | C | 97 | Very high | 93.1 | Very high | 22 Ų | 22 | 52.6 Ų | 52.6 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 15.2 | 177.8 | -57.1 | 0 | 0 | 0 | 0 | 116.5 | G125 S126 S149 S150 A409 D413 M414 | G125-C411 WeakPolarHBondContact CA-SG 3.5Å; S126-C411 PolarHBondContact N-SG 3.08Å; S149-C411 WeakPolarHBondContact OG-CA 3.29Å; S150-C411 PolarHBondContact OG-N 3.15Å; A409-C411 PolarHBondContact O-N 3.04Å; C411-D413 PolarHBondContact O-N 2.86Å; C411-M414 HydrophobicContact CB-SD 4.46Å; C411-M414 WeakPolarHBondContact O-CB 3.29Å; C411-M414 PolarHBondContact O-N 3.38Å |
| 412 | A | 96.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -61.1 | -28.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E240 T408 H410 M414 S415 L425 R429 | E240-A412 HydrophobicContact CG-CB 3.64Å; E240-A412 WeakPolarHBondContact OE1-CB 3.02Å; T408-A412 HydrophobicContact CG2-CB 3.4Å; T408-A412 VanDerWaalsContact CG2-CB 3.4Å; H410-A412 PolarHBondContact O-N 2.93Å; A412-M414 PolarHBondContact O-N 3.19Å; A412-S415 WeakPolarHBondContact O-CB 3.42Å; A412-S415 PolarHBondContact O-N 3.31Å; A412-L425 HydrophobicContact CB-CD1 4.31Å; A412-L425 HydrophobicContact CB-CD2 4.28Å; A412-R429 PolarHBondContact O-NH2 3.27Å |
| 413 | D | 97.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -59.8 | -31.1 | 174.8 | 61.3 | -61.5 | 0 | 0 | 0 | 112.4 | H55 S149 V380 I405 C411 L425 R429 I432 | H55-D413 WeakPolarHBondContact CB-O 3.49Å; S149-D413 WeakPolarHBondContact CB-OD2 3.49Å; S149-D413 VanDerWaalsContact OG-CG 3.28Å; S149-D413 PolarHBondContact OG-OD1 2.93Å; S149-D413 PolarHBondContact OG-OD2 3.07Å; V380-D413 HydrophobicContact CG1-CB 4.23Å; I405-D413 HydrophobicContact CD1-CB 4.11Å; C411-D413 PolarHBondContact O-N 2.86Å; D413-L425 HydrophobicContact CB-CD1 4.26Å; D413-R429 HydrophobicContact CB-CG 4.44Å; D413-R429 PolarHBondContact O-NE 3.06Å; D413-I432 HydrophobicContact CB-CD1 3.84Å |
| 414 | M | 96.8 | Very high | 94 | Very high | 31 Ų | 31 | 59.6 Ų | 59.6 | 15% | 0.153 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -75.3 | -24.2 | -179.1 | -59.2 | -166.2 | 75.8 | 0 | 0 | 113.5 | F39 G54 H55 F123 G125 C411 A412 | F39-M414 HydrophobicContact CD2-CE 4.11Å; F39-M414 HydrophobicContact CE2-CE 3.58Å; G54-M414 CarbonylContact C-O 3.49Å; G54-M414 VanDerWaalsContact CA-O 3.32Å; G54-M414 WeakPolarHBondContact CA-O 3.35Å; H55-M414 PolarHBondContact N-O 3.04Å; F123-M414 HydrophobicContact CB-CE 4.46Å; G125-M414 WeakPolarHBondContact CA-SD 3.36Å; G125-M414 PolarHBondContact N-SD 2.93Å; G125-M414 VanDerWaalsContact N-SD 3.35Å; C411-M414 HydrophobicContact CB-SD 4.46Å; C411-M414 WeakPolarHBondContact O-CB 3.29Å; C411-M414 PolarHBondContact O-N 3.38Å; A412-M414 PolarHBondContact O-N 3.19Å |
| 415 | S | 93.9 | Very high | 94 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 31% | 0.308 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -61.6 | 153.4 | 175.7 | -68.6 | 0 | 0 | 0 | 0 | 111.1 | E240 A412 R429 | E240-S415 PolarHBondContact OE2-OG 3.14Å; A412-S415 WeakPolarHBondContact O-CB 3.42Å; A412-S415 PolarHBondContact O-N 3.31Å; S415-R429 PolarHBondContact O-NE 2.93Å; S415-R429 PolarHBondContact O-NH2 3.15Å; S415-R429 VanDerWaalsContact O-NH2 3.13Å |
| 416 | K | 91.5 | Very high | 94.1 | Very high | 126 Ų | 126 | 59.6 Ų | 59.6 | 55% | 0.548 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 141.4 | 170.9 | -176.6 | 172.9 | -177.6 | 173.7 | 0 | 110.1 | R418 | K416-R418 PolarHBondContact O-N 3.34Š|
| 417 | E | 90.6 | Very high | 94.2 | Very high | 112 Ų | 112 | 57.9 Ų | 57.9 | 52% | 0.523 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 134.7 | 177.7 | -170.3 | -178.7 | -171.6 | 0 | 0 | 112.3 | R426 | E417-R426 WeakPolarHBondContact OE1-CD 3.2Å; E417-R426 WeakPolarHBondContact OE1-CG 3.4Å |
| 418 | R | 91.8 | Very high | 94.4 | Very high | 79 Ų | 79 | 56.8 Ų | 56.8 | 30% | 0.298 | 28% | 0.277 | S | S | . | . | trans | -119.1 | 150.1 | 174.3 | -55.2 | 171.3 | -63.3 | -131.7 | -5.5 | 110.1 | E240 K416 T420 D421 | E240-R418 VanDerWaalsContact CD-NH2 3.26Å; E240-R418 IonicContact OE1-CZ 3.25Å; E240-R418 IonicContact OE1-NH1 3.13Å; E240-R418 IonicContact OE1-NH2 2.62Å; E240-R418 PolarHBondContact OE1-NH2 3.37Å; E240-R418 IonicContact OE2-CZ 3.51Å; E240-R418 IonicContact OE2-NH1 3.56Å; E240-R418 PolarHBondContact OE2-NH1 2.78Å; E240-R418 IonicContact OE2-NH2 2.98Å; E240-R418 PolarHBondContact OE2-NH2 2.97Å; E240-R418 VanDerWaalsContact OE2-NH2 3.14Å; K416-R418 PolarHBondContact O-N 3.34Å; R418-T420 PolarHBondContact O-N 3.02Å; R418-T420 VanDerWaalsContact O-N 3.16Å; R418-D421 IonicContact CZ-OD1 3.94Å; R418-D421 PolarHBondContact N-OD2 3.26Å; R418-D421 IonicContact NE-OD1 2.77Å; R418-D421 PolarHBondContact NE-OD1 2.73Å; R418-D421 IonicContact NH2-OD1 2.73Å; R418-D421 PolarHBondContact NH2-OD1 2.78Å; R418-D421 VanDerWaalsContact O-CB 3.27Å; R418-D421 WeakPolarHBondContact O-CB 3.49Å; R418-D421 PolarHBondContact O-N 3.05Å | ||
| 419 | L | 90.2 | Very high | 94.6 | Very high | 180 Ų | 180 | 56.8 Ų | 56.8 | 94% | 0.942 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -25.1 | 176 | -65.2 | 176.8 | 0 | 0 | 0 | 113.2 | D421 | L419-D421 VanDerWaalsContact C-N 3.29Š|
| 420 | T | 90.3 | Very high | 94.6 | Very high | 120 Ų | 120 | 61.3 Ų | 61.3 | 74% | 0.736 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -5 | 178.1 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | R418 R422 | R418-T420 PolarHBondContact O-N 3.02Å; R418-T420 VanDerWaalsContact O-N 3.16Å; T420-R422 PolarHBondContact O-N 3.43Å |
| 421 | D | 92.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.032 | 31% | 0.31 | C | S | . | . | trans | -65.2 | 137.7 | -177 | -70.5 | -16.2 | 0 | 0 | 0 | 111.6 | R418 L419 L425 R426 R429 | R418-D421 IonicContact CZ-OD1 3.94Å; R418-D421 PolarHBondContact N-OD2 3.26Å; R418-D421 IonicContact NE-OD1 2.77Å; R418-D421 PolarHBondContact NE-OD1 2.73Å; R418-D421 IonicContact NH2-OD1 2.73Å; R418-D421 PolarHBondContact NH2-OD1 2.78Å; R418-D421 VanDerWaalsContact O-CB 3.27Å; R418-D421 WeakPolarHBondContact O-CB 3.49Å; R418-D421 PolarHBondContact O-N 3.05Å; L419-D421 VanDerWaalsContact C-N 3.29Å; D421-L425 HydrophobicContact CB-CD2 4.07Å; D421-L425 HydrophobicContact CB-CG 4.49Å; D421-R426 HydrophobicContact CB-CG 4.16Å; D421-R426 PolarHBondContact O-NE 3.39Å; D421-R426 PolarHBondContact O-NH2 2.98Å; D421-R426 VanDerWaalsContact O-NH2 3.08Å; D421-R429 IonicContact OD2-CZ 2.72Å; D421-R429 IonicContact OD2-NH1 3.79Å; D421-R429 PolarHBondContact OD2-NH1 3.17Å; D421-R429 IonicContact OD2-NH2 3.63Å | ||
| 422 | R | 92.8 | Very high | 94.6 | Very high | 53 Ų | 53 | 63 Ų | 63 | 20% | 0.2 | 30% | 0.303 | C | S | . | . | trans | -56.8 | 148.7 | 177.3 | -68.3 | 163.9 | 174.5 | -87.8 | -6 | 110.4 | A174 E239 D407 T420 S424 L425 R426 | A174-R422 PolarHBondContact O-NH1 2.98Å; A174-R422 PolarHBondContact O-NH2 3.19Å; E239-R422 IonicContact OE1-CZ 3.17Å; E239-R422 IonicContact OE1-NE 2.71Å; E239-R422 IonicContact OE1-NH2 3.78Å; E239-R422 PolarHBondContact OE1-NH2 2.93Å; E239-R422 IonicContact OE2-CZ 2.66Å; E239-R422 IonicContact OE2-NE 2.78Å; E239-R422 PolarHBondContact OE2-NE 3.36Å; E239-R422 IonicContact OE2-NH2 3.4Å; D407-R422 WeakPolarHBondContact O-CD 3.12Å; D407-R422 WeakPolarHBondContact OD2-CD 3.37Å; D407-R422 IonicContact OD2-CZ 4Å; D407-R422 IonicContact OD2-NH1 3.83Å; D407-R422 PolarHBondContact OD2-NH1 2.95Å; T420-R422 PolarHBondContact O-N 3.43Å; R422-S424 VanDerWaalsContact C-N 3.26Å; R422-S424 PolarHBondContact O-N 3.33Å; R422-L425 HydrophobicContact CB-CB 4.44Å; R422-L425 PolarHBondContact O-N 2.04Å; R422-R426 PolarHBondContact O-N 2.82Å; R422-R426 VanDerWaalsContact O-N 3.1Å | ||
| 423 | H | 94.9 | Very high | 94.6 | Very high | 139 Ų | 139 | 64.8 Ų | 64.8 | 64% | 0.644 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.5 | -39.3 | -179 | 175.4 | -87.8 | 0 | 0 | 0 | 112.1 | R426 K427 | H423-R426 PolarHBondContact O-N 3.45Å; H423-K427 WeakPolarHBondContact O-CB 3.26Å; H423-K427 PolarHBondContact O-N 2.73Å |
| 424 | S | 95.4 | Very high | 94.6 | Very high | 29 Ų | 29 | 68.4 Ų | 68.4 | 20% | 0.203 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58 | -46.2 | 173.3 | 46.7 | 0 | 0 | 0 | 0 | 113.2 | D407 R422 K427 G428 | D407-S424 WeakPolarHBondContact OD1-CB 3.36Å; D407-S424 PolarHBondContact OD1-OG 2.64Å; R422-S424 VanDerWaalsContact C-N 3.26Å; R422-S424 PolarHBondContact O-N 3.33Å; S424-K427 PolarHBondContact O-N 3.06Å; S424-G428 PolarHBondContact O-N 3.08Å |
| 425 | L | 96.4 | Very high | 94.5 | Very high | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 177.7 | 177.6 | 54 | 0 | 0 | 0 | 111.3 | I405 T408 A412 D413 D421 R422 K427 G428 R429 | I405-L425 HydrophobicContact CD1-CD1 4.22Å; T408-L425 HydrophobicContact CG2-CD1 3.91Å; A412-L425 HydrophobicContact CB-CD1 4.31Å; A412-L425 HydrophobicContact CB-CD2 4.28Å; D413-L425 HydrophobicContact CB-CD1 4.26Å; D421-L425 HydrophobicContact CB-CD2 4.07Å; D421-L425 HydrophobicContact CB-CG 4.49Å; R422-L425 HydrophobicContact CB-CB 4.44Å; R422-L425 PolarHBondContact O-N 2.04Å; L425-K427 VanDerWaalsContact C-N 3.33Å; L425-K427 PolarHBondContact O-N 3.36Å; L425-G428 PolarHBondContact O-N 3.46Å; L425-R429 PolarHBondContact O-N 3.21Å |
| 426 | R | 96.1 | Very high | 94.7 | Very high | 108 Ų | 108 | 66 Ų | 66 | 41% | 0.408 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.6 | -43.9 | 174.3 | -74.3 | -179 | -80.7 | 164.5 | -7.6 | 112.1 | E417 D421 R422 H423 R429 Q430 | E417-R426 WeakPolarHBondContact OE1-CD 3.2Å; E417-R426 WeakPolarHBondContact OE1-CG 3.4Å; D421-R426 HydrophobicContact CB-CG 4.16Å; D421-R426 PolarHBondContact O-NE 3.39Å; D421-R426 PolarHBondContact O-NH2 2.98Å; D421-R426 VanDerWaalsContact O-NH2 3.08Å; R422-R426 PolarHBondContact O-N 2.82Å; R422-R426 VanDerWaalsContact O-N 3.1Å; H423-R426 PolarHBondContact O-N 3.45Å; R426-R429 PolarHBondContact O-N 2.96Å; R426-Q430 PolarHBondContact O-N 3.18Å |
| 427 | K | 95.8 | Very high | 95 | Very high | 117 Ų | 117 | 61.6 Ų | 61.6 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 175.3 | -168 | -171.5 | 179.8 | -122.7 | 0 | 111.8 | H423 S424 L425 Q430 E431 | H423-K427 WeakPolarHBondContact O-CB 3.26Å; H423-K427 PolarHBondContact O-N 2.73Å; S424-K427 PolarHBondContact O-N 3.06Å; L425-K427 VanDerWaalsContact C-N 3.33Å; L425-K427 PolarHBondContact O-N 3.36Å; K427-Q430 WeakPolarHBondContact O-CB 3.29Å; K427-Q430 PolarHBondContact O-N 2.81Å; K427-E431 WeakPolarHBondContact CE-OE1 3.32Å; K427-E431 IonicContact NZ-OE1 3.57Å; K427-E431 PolarHBondContact NZ-OE1 3.16Å; K427-E431 WeakPolarHBondContact O-CG 3.38Å; K427-E431 PolarHBondContact O-N 3.12Å |
| 428 | G | 96.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.7 | -45 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S424 L425 Q430 E431 I432 | S424-G428 PolarHBondContact O-N 3.08Å; L425-G428 PolarHBondContact O-N 3.46Å; G428-Q430 PolarHBondContact O-N 2.93Å; G428-E431 WeakPolarHBondContact O-CB 3.41Å; G428-E431 PolarHBondContact O-N 3.1Å; G428-I432 VanDerWaalsContact O-CG1 3.29Å; G428-I432 WeakPolarHBondContact O-CG1 3.42Å; G428-I432 PolarHBondContact O-N 2.86Å |
| 429 | R | 97.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 173.3 | -73.3 | -166.6 | -170.8 | 117.3 | -0.5 | 112.5 | H55 A412 D413 S415 D421 L425 R426 E431 I432 E433 | H55-R429 PolarHBondContact CE1-O 3.41Å; A412-R429 PolarHBondContact O-NH2 3.27Å; D413-R429 HydrophobicContact CB-CG 4.44Å; D413-R429 PolarHBondContact O-NE 3.06Å; S415-R429 PolarHBondContact O-NE 2.93Å; S415-R429 PolarHBondContact O-NH2 3.15Å; S415-R429 VanDerWaalsContact O-NH2 3.13Å; D421-R429 IonicContact OD2-CZ 2.72Å; D421-R429 IonicContact OD2-NH1 3.79Å; D421-R429 PolarHBondContact OD2-NH1 3.17Å; D421-R429 IonicContact OD2-NH2 3.63Å; L425-R429 PolarHBondContact O-N 3.21Å; R426-R429 PolarHBondContact O-N 2.96Å; R429-E431 VanDerWaalsContact C-N 3.3Å; R429-E431 PolarHBondContact O-N 3.24Å; R429-I432 WeakPolarHBondContact O-CB 3.47Å; R429-I432 PolarHBondContact O-N 3.43Å; R429-E433 WeakPolarHBondContact O-CG 3.36Å; R429-E433 PolarHBondContact O-N 3.04Å |
| 430 | Q | 96.5 | Very high | 95.8 | Very high | 98 Ų | 98 | 51.3 Ų | 51.3 | 46% | 0.458 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -38.8 | 176.1 | -172.5 | 63.9 | 84.2 | 0 | 0 | 112.3 | R426 K427 G428 E433 N434 | R426-Q430 PolarHBondContact O-N 3.18Å; K427-Q430 WeakPolarHBondContact O-CB 3.29Å; K427-Q430 PolarHBondContact O-N 2.81Å; G428-Q430 PolarHBondContact O-N 2.93Å; Q430-E433 PolarHBondContact NE2-OE2 2.79Å; Q430-N434 WeakPolarHBondContact O-CB 3.48Å; Q430-N434 PolarHBondContact O-N 2.92Å; Q430-N434 VanDerWaalsContact O-N 3.07Å; Q430-N434 PolarHBondContact O-ND2 3.37Å |
| 431 | E | 96.1 | Very high | 96.1 | Very high | 64 Ų | 64 | 52.6 Ų | 52.6 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.3 | -48.9 | 173.6 | -72.7 | 176.2 | -166.9 | 0 | 0 | 110.3 | V403 K427 G428 R429 E433 N434 H435 | V403-E431 HydrophobicContact CG2-CB 4.34Å; K427-E431 WeakPolarHBondContact CE-OE1 3.32Å; K427-E431 IonicContact NZ-OE1 3.57Å; K427-E431 PolarHBondContact NZ-OE1 3.16Å; K427-E431 WeakPolarHBondContact O-CG 3.38Å; K427-E431 PolarHBondContact O-N 3.12Å; G428-E431 WeakPolarHBondContact O-CB 3.41Å; G428-E431 PolarHBondContact O-N 3.1Å; R429-E431 VanDerWaalsContact C-N 3.3Å; R429-E431 PolarHBondContact O-N 3.24Å; E431-E433 PolarHBondContact O-N 2.77Å; E431-N434 WeakPolarHBondContact O-CB 3.48Å; E431-N434 PolarHBondContact O-N 3.23Å; E431-N434 VanDerWaalsContact O-N 3.13Å; E431-H435 PolarHBondContact O-CD2 3.11Å; E431-H435 PolarHBondContact O-N 3.1Å |
| 432 | I | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.1 | -48.8 | 176 | -65.2 | 160.6 | 0 | 0 | 0 | 111.9 | M59 V147 L378 V380 V403 D413 G428 R429 N434 H435 V436 | M59-I432 HydrophobicContact CE-CG2 4.1Å; M59-I432 HydrophobicContact SD-CG2 4.29Å; V147-I432 HydrophobicContact CG1-CG2 4.11Å; V147-I432 HydrophobicContact CG2-CG2 4.31Å; L378-I432 HydrophobicContact CD2-CB 4.09Å; L378-I432 HydrophobicContact CD2-CG1 3.83Å; L378-I432 HydrophobicContact CD2-CG2 4.02Å; V380-I432 HydrophobicContact CB-CD1 4.43Å; V380-I432 HydrophobicContact CG1-CD1 3.89Å; V380-I432 HydrophobicContact CG2-CD1 3.73Å; V380-I432 HydrophobicContact CG2-CG1 3.83Å; V403-I432 HydrophobicContact CG1-CG1 4.49Å; V403-I432 HydrophobicContact CG2-CG1 4.49Å; D413-I432 HydrophobicContact CB-CD1 3.84Å; G428-I432 VanDerWaalsContact O-CG1 3.29Å; G428-I432 WeakPolarHBondContact O-CG1 3.42Å; G428-I432 PolarHBondContact O-N 2.86Å; R429-I432 WeakPolarHBondContact O-CB 3.47Å; R429-I432 PolarHBondContact O-N 3.43Å; I432-N434 VanDerWaalsContact C-N 3.32Å; I432-N434 PolarHBondContact O-N 3.29Å; I432-H435 WeakPolarHBondContact O-CB 3.35Å; I432-H435 PolarHBondContact O-N 3.2Å; I432-H435 VanDerWaalsContact O-N 3.09Å; I432-V436 PolarHBondContact O-N 3.33Å |
| 433 | E | 97.7 | Very high | 96.3 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.3 | -46.9 | 176 | -74 | 162.7 | -161.5 | 0 | 0 | 111.6 | H55 M59 R429 Q430 E431 H435 V436 A437 | H55-E433 IonicContact CD2-OE1 2.59Å; H55-E433 IonicContact CE1-OE1 2.71Å; H55-E433 WeakPolarHBondContact NE2-CG 3.47Å; H55-E433 IonicContact NE2-OE1 3.54Å; H55-E433 PolarHBondContact NE2-OE1 3.31Å; M59-E433 HydrophobicContact CG-CG 3.74Å; M59-E433 HydrophobicContact SD-CB 4.43Å; M59-E433 HydrophobicContact SD-CG 3.84Å; R429-E433 WeakPolarHBondContact O-CG 3.36Å; R429-E433 PolarHBondContact O-N 3.04Å; Q430-E433 PolarHBondContact NE2-OE2 2.79Å; E431-E433 PolarHBondContact O-N 2.77Å; E433-H435 VanDerWaalsContact C-N 3.27Å; E433-H435 PolarHBondContact O-N 2.67Å; E433-V436 PolarHBondContact O-N 2.96Å; E433-A437 VanDerWaalsContact O-CB 3.3Å; E433-A437 WeakPolarHBondContact O-CB 3.27Å; E433-A437 PolarHBondContact O-N 2.98Å |
| 434 | N | 96.4 | Very high | 96.2 | Very high | 80 Ų | 80 | 48 Ų | 48 | 43% | 0.428 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.3 | -32.3 | 178.6 | -72.7 | -35.1 | 0 | 0 | 0 | 112.6 | Q430 E431 I432 R438 | Q430-N434 WeakPolarHBondContact O-CB 3.48Å; Q430-N434 PolarHBondContact O-N 2.92Å; Q430-N434 VanDerWaalsContact O-N 3.07Å; Q430-N434 PolarHBondContact O-ND2 3.37Å; E431-N434 WeakPolarHBondContact O-CB 3.48Å; E431-N434 PolarHBondContact O-N 3.23Å; E431-N434 VanDerWaalsContact O-N 3.13Å; I432-N434 VanDerWaalsContact C-N 3.32Å; I432-N434 PolarHBondContact O-N 3.29Å; N434-R438 WeakPolarHBondContact O-CB 3.46Å; N434-R438 VanDerWaalsContact O-CG 3.27Å; N434-R438 WeakPolarHBondContact O-CG 3.32Å; N434-R438 PolarHBondContact O-N 3.48Å; N434-R438 PolarHBondContact O-NE 3.47Å; N434-R438 VanDerWaalsContact O-NE 3.12Å |
| 435 | H | 95.3 | Very high | 96.1 | Very high | 23 Ų | 23 | 51 Ų | 51 | 11% | 0.106 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.8 | -50.1 | 173.3 | -82.3 | -89.1 | 0 | 0 | 0 | 111.5 | L378 Q401 E431 I432 E433 A437 R438 W439 | L378-H435 HydrophobicContact CD1-CB 4.37Å; L378-H435 HydrophobicContact CD2-CB 3.91Å; Q401-H435 PolarHBondContact NE2-CE1 3.24Å; Q401-H435 PolarHBondContact OE1-CE1 2.96Å; Q401-H435 PolarHBondContact OE1-ND1 3.07Å; E431-H435 PolarHBondContact O-CD2 3.11Å; E431-H435 PolarHBondContact O-N 3.1Å; I432-H435 WeakPolarHBondContact O-CB 3.35Å; I432-H435 PolarHBondContact O-N 3.2Å; I432-H435 VanDerWaalsContact O-N 3.09Å; E433-H435 VanDerWaalsContact C-N 3.27Å; E433-H435 PolarHBondContact O-N 2.67Å; H435-A437 PolarHBondContact O-N 3.41Å; H435-R438 PolarHBondContact CD2-NH2 3.04Å; H435-R438 VanDerWaalsContact CD2-NH2 3.33Å; H435-R438 PolarHBondContact CE1-NH2 3.33Å; H435-R438 PolarHBondContact ND1-NH2 3.42Å; H435-R438 PolarHBondContact NE2-NH2 2.94Å; H435-R438 VanDerWaalsContact NE2-NH2 3.11Å; H435-R438 PolarHBondContact O-N 3.24Å; H435-W439 PolarHBondContact O-N 3.47Å |
| 436 | V | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 179.3 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | F37 M59 F123 V147 I432 E433 R438 W439 L440 | F37-V436 HydrophobicContact CE1-CG1 4.32Å; F37-V436 HydrophobicContact CE2-CG1 4.42Å; F37-V436 HydrophobicContact CZ-CG1 3.68Å; M59-V436 HydrophobicContact SD-CB 4.21Å; M59-V436 HydrophobicContact SD-CG2 4.04Å; F123-V436 HydrophobicContact CE1-CG2 4.39Å; V147-V436 HydrophobicContact CG2-CG2 3.77Å; I432-V436 PolarHBondContact O-N 3.33Å; E433-V436 PolarHBondContact O-N 2.96Å; V436-R438 VanDerWaalsContact C-N 3.32Å; V436-R438 PolarHBondContact O-N 3.44Å; V436-W439 HydrophobicContact CG2-CE3 4.46Å; V436-W439 PolarHBondContact O-N 3.25Å; V436-L440 HydrophobicContact CG1-CD1 4.22Å; V436-L440 HydrophobicContact CG1-CG 4.48Å; V436-L440 WeakPolarHBondContact O-CG 3.46Å; V436-L440 PolarHBondContact O-N 3.2Å |
| 437 | A | 97.6 | Very high | 95.3 | Very high | 35 Ų | 35 | 52.6 Ų | 52.6 | 29% | 0.289 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E433 H435 L440 K441 | E433-A437 VanDerWaalsContact O-CB 3.3Å; E433-A437 WeakPolarHBondContact O-CB 3.27Å; E433-A437 PolarHBondContact O-N 2.98Å; H435-A437 PolarHBondContact O-N 3.41Å; A437-L440 PolarHBondContact O-N 3.16Å; A437-K441 WeakPolarHBondContact O-CB 3.47Å; A437-K441 PolarHBondContact O-N 3.28Å |
| 438 | R | 96.1 | Very high | 94.6 | Very high | 116 Ų | 116 | 54 Ų | 54 | 44% | 0.438 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 174.5 | -82.5 | -175.5 | -66.4 | 149.2 | -8.4 | 111.8 | N434 H435 V436 L440 K441 T442 | N434-R438 WeakPolarHBondContact O-CB 3.46Å; N434-R438 VanDerWaalsContact O-CG 3.27Å; N434-R438 WeakPolarHBondContact O-CG 3.32Å; N434-R438 PolarHBondContact O-N 3.48Å; N434-R438 PolarHBondContact O-NE 3.47Å; N434-R438 VanDerWaalsContact O-NE 3.12Å; H435-R438 PolarHBondContact CD2-NH2 3.04Å; H435-R438 VanDerWaalsContact CD2-NH2 3.33Å; H435-R438 PolarHBondContact CE1-NH2 3.33Å; H435-R438 PolarHBondContact ND1-NH2 3.42Å; H435-R438 PolarHBondContact NE2-NH2 2.94Å; H435-R438 VanDerWaalsContact NE2-NH2 3.11Å; H435-R438 PolarHBondContact O-N 3.24Å; V436-R438 VanDerWaalsContact C-N 3.32Å; V436-R438 PolarHBondContact O-N 3.44Å; R438-L440 VanDerWaalsContact C-N 3.35Å; R438-L440 PolarHBondContact O-N 3.06Å; R438-K441 PolarHBondContact O-N 3.5Å; R438-T442 PolarHBondContact O-N 2.66Å; R438-T442 PolarHBondContact O-OG1 2.65Å; R438-T442 VanDerWaalsContact O-OG1 3.07Å |
| 439 | W | 96.3 | Very high | 93.8 | Very high | 15 Ų | 15 | 59 Ų | 59 | 6% | 0.057 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 177.2 | -72.6 | -22.5 | 0 | 0 | 0 | 112.3 | I121 Y144 A146 V147 R376 L378 H435 V436 K441 T442 A443 | I121-W439 HydrophobicContact CD1-CB 4.45Å; I121-W439 HydrophobicContact CD1-CE3 4.27Å; Y144-W439 HydrophobicContact CD1-CB 4.07Å; Y144-W439 HydrophobicContact CE1-CB 3.78Å; Y144-W439 HydrophobicContact CE1-CG 4.3Å; Y144-W439 WeakPolarHBondContact CE1-O 3.43Å; A146-W439 WeakPolarHBondContact O-CH2 3.37Å; V147-W439 HydrophobicContact CG2-CZ3 4.3Å; R376-W439 HydrophobicContact CB-CZ2 4.17Å; R376-W439 WeakPolarHBondContact O-CH2 3.4Å; L378-W439 HydrophobicContact CB-CH2 3.59Å; L378-W439 HydrophobicContact CB-CZ2 4.27Å; L378-W439 HydrophobicContact CB-CZ3 4.42Å; H435-W439 PolarHBondContact O-N 3.47Å; V436-W439 HydrophobicContact CG2-CE3 4.46Å; V436-W439 PolarHBondContact O-N 3.25Å; W439-K441 VanDerWaalsContact C-N 3.33Å; W439-K441 PolarHBondContact O-N 2.9Å; W439-T442 PolarHBondContact O-N 3.47Å; W439-A443 WeakPolarHBondContact O-CB 3.3Å; W439-A443 PolarHBondContact O-N 3.28Å |
| 440 | L | 97.3 | Very high | 92.3 | Very high | 23 Ų | 23 | 66.6 Ų | 66.6 | 12% | 0.12 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 176.7 | -67.8 | 177.8 | 0 | 0 | 0 | 111.9 | P35 F37 H63 T119 I121 V436 A437 R438 A443 A444 | P35-L440 HydrophobicContact CB-CD2 3.69Å; P35-L440 HydrophobicContact CG-CD1 4.22Å; P35-L440 HydrophobicContact CG-CD2 4.18Å; F37-L440 HydrophobicContact CE1-CD1 4.21Å; F37-L440 HydrophobicContact CE1-CD2 4.5Å; F37-L440 HydrophobicContact CZ-CD1 4.19Å; H63-L440 HydrophobicContact CB-CD1 3.85Å; T119-L440 HydrophobicContact CG2-CD2 3.82Å; I121-L440 HydrophobicContact CD1-CD2 4.47Å; I121-L440 HydrophobicContact CG1-CD2 4.08Å; V436-L440 HydrophobicContact CG1-CD1 4.22Å; V436-L440 HydrophobicContact CG1-CG 4.48Å; V436-L440 WeakPolarHBondContact O-CG 3.46Å; V436-L440 PolarHBondContact O-N 3.2Å; A437-L440 PolarHBondContact O-N 3.16Å; R438-L440 VanDerWaalsContact C-N 3.35Å; R438-L440 PolarHBondContact O-N 3.06Å; L440-A443 PolarHBondContact O-N 3.38Å; L440-A444 PolarHBondContact O-N 2.9Å |
| 441 | K | 96 | Very high | 90 | Very high | 148 Ų | 148 | 67.6 Ų | 67.6 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.2 | -46.8 | 175.6 | -174.7 | 179 | 178.6 | -179.5 | 0 | 112 | A437 R438 W439 A443 A444 L445 | A437-K441 WeakPolarHBondContact O-CB 3.47Å; A437-K441 PolarHBondContact O-N 3.28Å; R438-K441 PolarHBondContact O-N 3.5Å; W439-K441 VanDerWaalsContact C-N 3.33Å; W439-K441 PolarHBondContact O-N 2.9Å; K441-A443 VanDerWaalsContact C-N 3.34Å; K441-A443 PolarHBondContact O-N 2.94Å; K441-A444 PolarHBondContact O-N 2.77Å; K441-L445 HydrophobicContact CG-CD1 4.39Å; K441-L445 WeakPolarHBondContact O-CG 3.34Å; K441-L445 PolarHBondContact O-N 3.21Å; K441-L445 VanDerWaalsContact O-N 3.08Å |
| 442 | T | 95 | Very high | 88.1 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 34% | 0.344 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 177.2 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | Y144 R438 W439 A444 L445 E446 | Y144-T442 WeakPolarHBondContact OH-CB 3.47Å; Y144-T442 VanDerWaalsContact OH-CG2 3.27Å; Y144-T442 WeakPolarHBondContact OH-CG2 3.47Å; R438-T442 PolarHBondContact O-N 2.66Å; R438-T442 PolarHBondContact O-OG1 2.65Å; R438-T442 VanDerWaalsContact O-OG1 3.07Å; W439-T442 PolarHBondContact O-N 3.47Å; T442-A444 VanDerWaalsContact C-N 3.29Å; T442-A444 PolarHBondContact O-N 3.14Å; T442-L445 PolarHBondContact O-N 3.4Å; T442-L445 VanDerWaalsContact O-N 3.11Å; T442-E446 HydrophobicContact CG2-CG 4.3Å; T442-E446 WeakPolarHBondContact O-CG 2.82Å; T442-E446 PolarHBondContact O-N 3.03Å |
| 443 | A | 95.1 | Very high | 85.3 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.008 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.9 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T119 Y144 W439 L440 K441 K447 | T119-A443 HydrophobicContact CG2-CB 3.63Å; T119-A443 WeakPolarHBondContact OG1-CB 3.33Å; Y144-A443 HydrophobicContact CD1-CB 4.2Å; Y144-A443 HydrophobicContact CD2-CB 3.81Å; Y144-A443 HydrophobicContact CE1-CB 3.88Å; Y144-A443 HydrophobicContact CE2-CB 3.42Å; Y144-A443 VanDerWaalsContact CE2-CB 3.42Å; Y144-A443 HydrophobicContact CG-CB 4.17Å; Y144-A443 VanDerWaalsContact CZ-CB 3.47Å; Y144-A443 PolarHBondContact OH-N 3.17Å; Y144-A443 VanDerWaalsContact OH-N 3.14Å; W439-A443 WeakPolarHBondContact O-CB 3.3Å; W439-A443 PolarHBondContact O-N 3.28Å; L440-A443 PolarHBondContact O-N 3.38Å; K441-A443 VanDerWaalsContact C-N 3.34Å; K441-A443 PolarHBondContact O-N 2.94Å; A443-K447 VanDerWaalsContact O-CD 3.28Å; A443-K447 WeakPolarHBondContact O-CD 3.35Å; A443-K447 WeakPolarHBondContact O-CG 3.26Å; A443-K447 PolarHBondContact O-N 2.76Å; A443-K447 VanDerWaalsContact O-N 3.16Å |
| 444 | A | 92.9 | Very high | 84.7 | Confident | 43 Ų | 43 | 77.4 Ų | 77.4 | 36% | 0.355 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L440 K441 T442 K447 M448 | L440-A444 PolarHBondContact O-N 2.9Å; K441-A444 PolarHBondContact O-N 2.77Å; T442-A444 VanDerWaalsContact C-N 3.29Å; T442-A444 PolarHBondContact O-N 3.14Å; A444-K447 PolarHBondContact O-N 3.5Å; A444-M448 WeakPolarHBondContact O-CG 3.33Å; A444-M448 PolarHBondContact O-N 3.41Å |
| 445 | L | 92.4 | Very high | 84.1 | Confident | 92 Ų | 92 | 77.3 Ų | 77.3 | 48% | 0.482 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 177.4 | -69 | 169.7 | 0 | 0 | 0 | 112.7 | K441 T442 K447 M448 T449 | K441-L445 HydrophobicContact CG-CD1 4.39Å; K441-L445 WeakPolarHBondContact O-CG 3.34Å; K441-L445 PolarHBondContact O-N 3.21Å; K441-L445 VanDerWaalsContact O-N 3.08Å; T442-L445 PolarHBondContact O-N 3.4Å; T442-L445 VanDerWaalsContact O-N 3.11Å; L445-K447 VanDerWaalsContact C-N 3.26Å; L445-K447 PolarHBondContact O-N 3.15Å; L445-M448 PolarHBondContact O-N 2.98Å; L445-T449 WeakPolarHBondContact O-CG2 3.5Å; L445-T449 PolarHBondContact O-N 3.43Å; L445-T449 VanDerWaalsContact O-N 3.09Å; L445-T449 PolarHBondContact O-OG1 3.41Å |
| 446 | E | 90.8 | Very high | 83.5 | Confident | 79 Ų | 79 | 80.3 Ų | 80.3 | 37% | 0.369 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.6 | -39.3 | 175.9 | -73.7 | 179.5 | 174.5 | 0 | 0 | 111.2 | Y144 R376 T442 T449 K450 | Y144-E446 WeakPolarHBondContact CE2-OE2 3.29Å; Y144-E446 PolarHBondContact OH-OE2 3.21Å; R376-E446 IonicContact CZ-OE1 3.14Å; R376-E446 IonicContact CZ-OE2 2.71Å; R376-E446 IonicContact NH1-OE1 3.55Å; R376-E446 IonicContact NH1-OE2 3.38Å; R376-E446 PolarHBondContact NH1-OE2 3.07Å; R376-E446 IonicContact NH2-OE1 2.78Å; R376-E446 PolarHBondContact NH2-OE1 3.44Å; R376-E446 IonicContact NH2-OE2 3.32Å; T442-E446 HydrophobicContact CG2-CG 4.3Å; T442-E446 WeakPolarHBondContact O-CG 2.82Å; T442-E446 PolarHBondContact O-N 3.03Å; E446-T449 PolarHBondContact O-N 3.49Å; E446-T449 PolarHBondContact O-OG1 3.29Å; E446-K450 PolarHBondContact O-N 3.22Å; E446-K450 VanDerWaalsContact O-N 3.15Å |
| 447 | K | 84.7 | Confident | 82.6 | Confident | 69 Ų | 69 | 85 Ų | 85 | 30% | 0.3 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.4 | -34.8 | 176.9 | -68.3 | 164.5 | -170.7 | -172.8 | 0 | 112.9 | S116 R117 T119 A443 A444 L445 | S116-K447 WeakPolarHBondContact O-CD 3.39Å; S116-K447 WeakPolarHBondContact O-CE 3.31Å; S116-K447 PolarHBondContact O-NZ 2.64Å; R117-K447 VanDerWaalsContact C-NZ 3.33Å; R117-K447 PolarHBondContact O-NZ 3.43Å; T119-K447 PolarHBondContact OG1-NZ 3.42Å; A443-K447 VanDerWaalsContact O-CD 3.28Å; A443-K447 WeakPolarHBondContact O-CD 3.35Å; A443-K447 WeakPolarHBondContact O-CG 3.26Å; A443-K447 PolarHBondContact O-N 2.76Å; A443-K447 VanDerWaalsContact O-N 3.16Å; A444-K447 PolarHBondContact O-N 3.5Å; L445-K447 VanDerWaalsContact C-N 3.26Å; L445-K447 PolarHBondContact O-N 3.15Å |
| 448 | M | 81.9 | Confident | 81.7 | Confident | 146 Ų | 146 | 88.1 Ų | 88.1 | 72% | 0.719 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.9 | -32.2 | 176.3 | -69.9 | 177.9 | -173.4 | 0 | 0 | 112.6 | A444 L445 | A444-M448 WeakPolarHBondContact O-CG 3.33Å; A444-M448 PolarHBondContact O-N 3.41Å; L445-M448 PolarHBondContact O-N 2.98Å |
| 449 | T | 79.1 | Confident | 80.7 | Confident | 109 Ų | 109 | 86.3 Ų | 86.3 | 67% | 0.669 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -89 | -17.4 | -175.3 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | L445 E446 | L445-T449 WeakPolarHBondContact O-CG2 3.5Å; L445-T449 PolarHBondContact O-N 3.43Å; L445-T449 VanDerWaalsContact O-N 3.09Å; L445-T449 PolarHBondContact O-OG1 3.41Å; E446-T449 PolarHBondContact O-N 3.49Å; E446-T449 PolarHBondContact O-OG1 3.29Å |
| 450 | K | 65 | Low | 79.6 | Confident | 162 Ų | 162 | 91.4 Ų | 91.4 | 70% | 0.704 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -127.5 | 70.2 | 173.6 | -66.3 | -177.9 | -179 | 176.6 | 0 | 112.2 | E446 G452 | E446-K450 PolarHBondContact O-N 3.22Å; E446-K450 VanDerWaalsContact O-N 3.15Å; K450-G452 PolarHBondContact O-N 3.33Å |
| 451 | P | 49.6 | Very low | 78.3 | Confident | 119 Ų | 119 | 96.6 Ų | 96.6 | 77% | 0.773 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 100.6 | 175.7 | 27.2 | -29.9 | 0 | 0 | 0 | 110.2 | ||
| 452 | G | 54.9 | Low | 76.8 | Confident | 81 Ų | 81 | 92.3 Ų | 92.3 | 84% | 0.835 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.8 | 18.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | K450 | K450-G452 PolarHBondContact O-N 3.33Š|
| 453 | A | 40.1 | Very low | 75.1 | Confident | 151 Ų | 151 | 95.6 Ų | 95.6 | 100% | 1.248 | 59% | 0.587 | S | S | * | * | trans | -86 | 0 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 453 of 453 residues in 1185 ms
(Link to these results)