| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 29.4 | Very low | 63.7 | Low | 185 Ų | 185 | 78.7 Ų | 78.7 | 91% | 0.911 | 36% | 0.362 | S | S | * | . | 0 | -37.8 | 0 | -94.6 | 176.7 | 171.5 | 0 | 0 | 114.7 | Y3 | M1-Y3 VanDerWaalsContact C-N 3.29Å; M1-Y3 PolarHBondContact O-N 2.91Å | |||
| 2 | Y | 31.5 | Very low | 66.1 | Low | 142 Ų | 142 | 75.3 Ų | 75.3 | 56% | 0.557 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -52.1 | -28.1 | -168.6 | -69.5 | -84 | 0 | 0 | 0 | 118.2 | H4 V5 L147 | Y2-H4 PolarHBondContact O-N 2.95Å; Y2-V5 PolarHBondContact O-N 3.41Å; Y2-L147 HydrophobicContact CE1-CD2 4.44Å |
| 3 | Y | 35.6 | Very low | 68.1 | Low | 132 Ų | 132 | 70.5 Ų | 70.5 | 52% | 0.518 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -65.1 | -4.7 | -175.7 | -70.5 | -72.4 | 0 | 0 | 0 | 117.1 | M1 F8 P245 | M1-Y3 VanDerWaalsContact C-N 3.29Å; M1-Y3 PolarHBondContact O-N 2.91Å; Y3-F8 AromaticContact CD1-CE1 3.79Å; Y3-F8 HydrophobicContact CD1-CE1 3.79Å; Y3-F8 HydrophobicContact CD1-CZ 4.01Å; Y3-F8 HydrophobicContact CG-CE1 4.47Å; Y3-P245 WeakPolarHBondContact OH-CD 3.17Å; Y3-P245 WeakPolarHBondContact OH-CG 3.49Å |
| 4 | H | 40 | Very low | 69.6 | Low | 169 Ų | 169 | 76.5 Ų | 76.5 | 78% | 0.782 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -83.4 | -14.7 | 178.2 | -83 | -79.5 | 0 | 0 | 0 | 115 | Y2 | Y2-H4 PolarHBondContact O-N 2.95Š|
| 5 | V | 52.6 | Low | 70.9 | Confident | 73 Ų | 73 | 77.4 Ų | 77.4 | 44% | 0.442 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -83.6 | -32.6 | -172.4 | -177 | 0 | 0 | 0 | 0 | 112.8 | Y2 V143 L147 | Y2-V5 PolarHBondContact O-N 3.41Å; V5-V143 HydrophobicContact CG1-CG1 4.28Å; V5-L147 HydrophobicContact CG1-CD1 4.48Å |
| 6 | Y | 61.1 | Low | 71.7 | Confident | 82 Ų | 82 | 80.3 Ų | 80.3 | 32% | 0.322 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -106.8 | 141.8 | -177.2 | -73.3 | -96.4 | 0 | 0 | 0 | 111.9 | N24 A107 | Y6-N24 PolarHBondContact O-ND2 3.18Å; Y6-A107 HydrophobicContact CD1-CB 4.27Å |
| 7 | S | 84.7 | Confident | 72.6 | Confident | 18 Ų | 18 | 82.3 Ų | 82.3 | 13% | 0.126 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 127.8 | 162.8 | -66 | 0 | 0 | 0 | 0 | 107.9 | N24 G26 F27 A107 F108 | S7-N24 WeakPolarHBondContact CA-OD1 3.38Å; S7-G26 PolarHBondContact OG-O 2.89Å; S7-F27 PolarHBondContact OG-N 2.8Å; S7-A107 WeakPolarHBondContact O-CA 3.33Å; S7-F108 PolarHBondContact O-N 2.79Å |
| 8 | F | 88.8 | Confident | 73.7 | Confident | 24 Ų | 24 | 80.1 Ų | 80.1 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 158.1 | -176.3 | 77.6 | -94.8 | 0 | 0 | 0 | 114.5 | Y3 Y22 N24 L105 L106 A107 | Y3-F8 AromaticContact CD1-CE1 3.79Å; Y3-F8 HydrophobicContact CD1-CE1 3.79Å; Y3-F8 HydrophobicContact CD1-CZ 4.01Å; Y3-F8 HydrophobicContact CG-CE1 4.47Å; F8-Y22 HydrophobicContact CE2-CD1 4.06Å; F8-Y22 AromaticContact CE2-CE1 3.74Å; F8-Y22 HydrophobicContact CE2-CE1 3.74Å; F8-Y22 AromaticContact CZ-CE1 3.94Å; F8-Y22 HydrophobicContact CZ-CE1 3.94Å; F8-N24 HydrophobicContact CD1-CB 3.93Å; F8-N24 WeakPolarHBondContact CD1-ND2 3.44Å; F8-N24 HydrophobicContact CE1-CB 3.7Å; F8-N24 WeakPolarHBondContact CE1-ND2 3.36Å; F8-N24 HydrophobicContact CG-CB 4.47Å; F8-N24 HydrophobicContact CZ-CB 4.05Å; F8-N24 PolarHBondContact N-OD1 3.49Å; F8-N24 PolarHBondContact O-N 3.43Å; F8-N24 PolarHBondContact O-OD1 3.12Å; F8-L105 HydrophobicContact CB-CD1 4.13Å; F8-L105 HydrophobicContact CD2-CD1 3.62Å; F8-L105 HydrophobicContact CE2-CD1 4.35Å; F8-L105 HydrophobicContact CG-CD1 4.13Å; F8-L106 CarbonylContact C-O 3.6Å; F8-L106 VanDerWaalsContact CA-O 3.24Å; F8-L106 WeakPolarHBondContact CA-O 3.22Å; F8-L106 WeakPolarHBondContact CB-O 3.48Å; F8-A107 HydrophobicContact CB-CB 4.49Å |
| 9 | V | 91.8 | Very high | 74.8 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.8 | -177.3 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | I20 Y22 C23 F27 L106 F108 | V9-I20 HydrophobicContact CG1-CB 4.1Å; V9-I20 HydrophobicContact CG1-CD1 3.8Å; V9-I20 HydrophobicContact CG1-CG1 3.6Å; V9-I20 HydrophobicContact CG1-CG2 3.43Å; V9-I20 VanDerWaalsContact CG1-CG2 3.43Å; V9-Y22 CarbonylContact C-O 3.52Å; V9-Y22 WeakPolarHBondContact CA-O 3.28Å; V9-C23 HydrophobicContact CG2-CB 4.08Å; V9-F27 HydrophobicContact CG2-CB 4.38Å; V9-F27 HydrophobicContact CG2-CD1 3.44Å; V9-F27 VanDerWaalsContact CG2-CD1 3.44Å; V9-F27 HydrophobicContact CG2-CD2 3.78Å; V9-F27 HydrophobicContact CG2-CE1 3.47Å; V9-F27 VanDerWaalsContact CG2-CE1 3.47Å; V9-F27 HydrophobicContact CG2-CE2 3.81Å; V9-F27 HydrophobicContact CG2-CG 3.59Å; V9-F27 HydrophobicContact CG2-CZ 3.64Å; V9-L106 HydrophobicContact CB-CB 4.31Å; V9-L106 PolarHBondContact N-O 3.04Å; V9-L106 PolarHBondContact O-N 3.39Å; V9-F108 HydrophobicContact CB-CE2 4.06Å; V9-F108 HydrophobicContact CG2-CD2 4.33Å; V9-F108 HydrophobicContact CG2-CE2 3.7Å |
| 10 | L | 91.8 | Very high | 75.8 | Confident | 41 Ų | 41 | 72.9 Ų | 72.9 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.2 | 167.9 | -68.8 | 169.1 | 0 | 0 | 0 | 109.2 | V21 Y22 F104 L105 | L10-V21 HydrophobicContact CB-CG2 3.99Å; L10-V21 WeakPolarHBondContact O-CG2 3.32Å; L10-V21 PolarHBondContact O-N 3.23Å; L10-Y22 HydrophobicContact CD1-CD1 4.13Å; L10-Y22 PolarHBondContact N-O 3.14Å; L10-Y22 PolarHBondContact O-N 3.35Å; L10-F104 WeakPolarHBondContact CA-O 3.4Å; L10-L105 HydrophobicContact CD2-CB 4.21Å; L10-L105 HydrophobicContact CD2-CD1 3.81Å; L10-L105 HydrophobicContact CG-CD1 4.5Å |
| 11 | A | 93 | Very high | 76.6 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 145.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y18 P19 L103 F104 L106 | A11-Y18 WeakPolarHBondContact CB-O 3.41Å; A11-P19 WeakPolarHBondContact CA-O 3.4Å; A11-L103 CarbonylContact O-C 3.54Å; A11-L103 VanDerWaalsContact O-CA 3.26Å; A11-L103 WeakPolarHBondContact O-CA 3.44Å; A11-F104 HydrophobicContact CB-CB 4.33Å; A11-F104 PolarHBondContact N-O 2.93Å; A11-F104 PolarHBondContact O-N 2.97Å; A11-L106 HydrophobicContact CB-CD1 4.34Å |
| 12 | N | 93.2 | Very high | 79.6 | Confident | 37 Ų | 37 | 67.5 Ų | 67.5 | 20% | 0.198 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 122.3 | 177.9 | -170.4 | -24.7 | 0 | 0 | 0 | 110.5 | R14 I15 Y18 P19 V21 V102 | N12-R14 VanDerWaalsContact C-N 3.35Å; N12-R14 PolarHBondContact OD1-N 3.2Å; N12-I15 HydrophobicContact CB-CD1 4.49Å; N12-I15 VanDerWaalsContact ND2-CD1 3.28Å; N12-I15 WeakPolarHBondContact ND2-CD1 3.33Å; N12-Y18 WeakPolarHBondContact O-CA 3.41Å; N12-P19 HydrophobicContact CB-CG 4.21Å; N12-P19 PolarHBondContact N-O 3.36Å; N12-V21 HydrophobicContact CB-CG1 4.05Å; N12-V102 PolarHBondContact OD1-O 3.25Å |
| 13 | A | 91.9 | Very high | 82.4 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 11% | 0.107 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -14 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V101 V102 F104 | A13-V101 HydrophobicContact CB-CG1 3.78Å; A13-V102 PolarHBondContact N-O 3.07Å; A13-F104 HydrophobicContact CB-CD2 3.69Å; A13-F104 HydrophobicContact CB-CE2 3.47Å; A13-F104 VanDerWaalsContact CB-CE2 3.47Å; A13-F104 HydrophobicContact CB-CZ 4.13Å |
| 14 | R | 88.7 | Confident | 85 | Confident | 155 Ų | 155 | 55.1 Ų | 55.1 | 59% | 0.585 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 0.4 | -176 | -67.3 | 179.7 | 166.2 | -173.7 | -3.5 | 114.4 | N12 E100 | N12-R14 VanDerWaalsContact C-N 3.35Å; N12-R14 PolarHBondContact OD1-N 3.2Å; R14-E100 IonicContact CZ-OE2 3.34Å; R14-E100 IonicContact NH2-OE2 2.68Å; R14-E100 PolarHBondContact NH2-OE2 2.81Å |
| 15 | I | 89.4 | Confident | 87.3 | Confident | 90 Ų | 90 | 52.6 Ų | 52.6 | 46% | 0.462 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -121.7 | 139.3 | -179.8 | -55.5 | 177.4 | 0 | 0 | 0 | 108.8 | N12 Y18 P19 | N12-I15 HydrophobicContact CB-CD1 4.49Å; N12-I15 VanDerWaalsContact ND2-CD1 3.28Å; N12-I15 WeakPolarHBondContact ND2-CD1 3.33Å; I15-Y18 PolarHBondContact O-N 2.92Å; I15-Y18 VanDerWaalsContact O-N 3.12Å; I15-P19 HydrophobicContact CB-CG 3.85Å; I15-P19 HydrophobicContact CD1-CG 4.26Å; I15-P19 HydrophobicContact CG2-CG 3.86Å |
| 16 | V | 84.6 | Confident | 88.9 | Confident | 123 Ų | 123 | 50.2 Ų | 50.2 | 75% | 0.745 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 148.6 | 174.7 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | Y18 P19 | V16-Y18 PolarHBondContact O-N 3.37Å; V16-Y18 VanDerWaalsContact O-N 3.11Å; V16-P19 WeakPolarHBondContact O-CD 3.39Å |
| 17 | D | 86.7 | Confident | 90.2 | Very high | 115 Ų | 115 | 46.3 Ų | 46.3 | 62% | 0.615 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 0.8 | -171.4 | -57 | -34.4 | 0 | 0 | 0 | 115.8 | S42 G43 | D17-S42 WeakPolarHBondContact O-CA 3.47Å; D17-S42 WeakPolarHBondContact O-CB 3.42Å; D17-S42 PolarHBondContact O-OG 3.18Å; D17-G43 PolarHBondContact O-N 3.24Å |
| 18 | Y | 92.2 | Very high | 90.5 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 17% | 0.169 | 24% | 0.238 | C | C | . | . | trans | 53.2 | 62.1 | 178.1 | -48.6 | -61.9 | 0 | 0 | 0 | 112.9 | A11 N12 I15 V16 I20 G43 L65 D66 F104 | A11-Y18 WeakPolarHBondContact CB-O 3.41Å; N12-Y18 WeakPolarHBondContact O-CA 3.41Å; I15-Y18 PolarHBondContact O-N 2.92Å; I15-Y18 VanDerWaalsContact O-N 3.12Å; V16-Y18 PolarHBondContact O-N 3.37Å; V16-Y18 VanDerWaalsContact O-N 3.11Å; Y18-I20 PolarHBondContact O-N 3.38Å; Y18-G43 WeakPolarHBondContact O-CA 3.17Å; Y18-G43 PolarHBondContact O-N 3.45Å; Y18-L65 HydrophobicContact CD2-CB 3.98Å; Y18-L65 HydrophobicContact CD2-CD1 3.89Å; Y18-L65 HydrophobicContact CD2-CG 4.44Å; Y18-L65 HydrophobicContact CE2-CB 3.68Å; Y18-L65 HydrophobicContact CE2-CD1 4.33Å; Y18-D66 WeakPolarHBondContact CE2-OD1 3.39Å; Y18-D66 PolarHBondContact OH-OD1 3.07Å; Y18-F104 HydrophobicContact CD1-CD2 4.23Å; Y18-F104 AromaticContact CD1-CE2 3.79Å; Y18-F104 HydrophobicContact CD1-CE2 3.79Å; Y18-F104 AromaticContact CE1-CE2 3.92Å; Y18-F104 HydrophobicContact CE1-CE2 3.92Å; Y18-F104 HydrophobicContact CG-CE2 4.43Å | ||
| 19 | P | 94.2 | Very high | 90.4 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -65.4 | 136.7 | -169 | 26 | -34.6 | 0 | 0 | 0 | 112.6 | A11 N12 I15 V16 V21 K41 | A11-P19 WeakPolarHBondContact CA-O 3.4Å; N12-P19 HydrophobicContact CB-CG 4.21Å; N12-P19 PolarHBondContact N-O 3.36Å; I15-P19 HydrophobicContact CB-CG 3.85Å; I15-P19 HydrophobicContact CD1-CG 4.26Å; I15-P19 HydrophobicContact CG2-CG 3.86Å; V16-P19 WeakPolarHBondContact O-CD 3.39Å; P19-V21 PolarHBondContact O-N 2.93Å; P19-K41 WeakPolarHBondContact CA-O 3.5Å |
| 20 | I | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 115.2 | 179.7 | -67.8 | 168.8 | 0 | 0 | 0 | 110.2 | V9 Y18 I38 M39 Q40 K41 F47 | V9-I20 HydrophobicContact CG1-CB 4.1Å; V9-I20 HydrophobicContact CG1-CD1 3.8Å; V9-I20 HydrophobicContact CG1-CG1 3.6Å; V9-I20 HydrophobicContact CG1-CG2 3.43Å; V9-I20 VanDerWaalsContact CG1-CG2 3.43Å; Y18-I20 PolarHBondContact O-N 3.38Å; I20-I38 HydrophobicContact CD1-CG2 4.28Å; I20-I38 HydrophobicContact CG2-CG2 3.96Å; I20-M39 WeakPolarHBondContact O-CA 3.33Å; I20-Q40 PolarHBondContact O-N 3.07Å; I20-K41 WeakPolarHBondContact CB-O 3.42Å; I20-K41 HydrophobicContact CD1-CB 4.33Å; I20-K41 VanDerWaalsContact CG1-O 3.3Å; I20-K41 WeakPolarHBondContact CG1-O 3.49Å; I20-K41 PolarHBondContact N-O 3.03Å; I20-F47 HydrophobicContact CD1-CE1 4.19Å; I20-F47 HydrophobicContact CD1-CZ 4.48Å |
| 21 | V | 92.5 | Very high | 90.1 | Very high | 54 Ų | 54 | 52 Ų | 52 | 33% | 0.327 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -22.3 | 179.8 | -64.1 | 0 | 0 | 0 | 0 | 113.1 | L10 N12 P19 M39 L103 | L10-V21 HydrophobicContact CB-CG2 3.99Å; L10-V21 WeakPolarHBondContact O-CG2 3.32Å; L10-V21 PolarHBondContact O-N 3.23Å; N12-V21 HydrophobicContact CB-CG1 4.05Å; P19-V21 PolarHBondContact O-N 2.93Å; V21-M39 WeakPolarHBondContact O-CE 3.44Å; V21-L103 HydrophobicContact CG2-CD2 3.86Å |
| 22 | Y | 92.4 | Very high | 89.8 | Confident | 92 Ų | 92 | 54.2 Ų | 54.2 | 36% | 0.361 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 147.8 | 178 | 174.7 | -96.2 | 0 | 0 | 0 | 112.1 | F8 V9 L10 N24 | F8-Y22 HydrophobicContact CE2-CD1 4.06Å; F8-Y22 AromaticContact CE2-CE1 3.74Å; F8-Y22 HydrophobicContact CE2-CE1 3.74Å; F8-Y22 AromaticContact CZ-CE1 3.94Å; F8-Y22 HydrophobicContact CZ-CE1 3.94Å; V9-Y22 CarbonylContact C-O 3.52Å; V9-Y22 WeakPolarHBondContact CA-O 3.28Å; L10-Y22 HydrophobicContact CD1-CD1 4.13Å; L10-Y22 PolarHBondContact N-O 3.14Å; L10-Y22 PolarHBondContact O-N 3.35Å; Y22-N24 HydrophobicContact CE1-CB 4.29Å |
| 23 | C | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 145.7 | 166.5 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | V9 F27 R35 I38 | V9-C23 HydrophobicContact CG2-CB 4.08Å; C23-F27 HydrophobicContact CB-CD1 4.02Å; C23-R35 PolarHBondContact O-NE 2.98Å; C23-R35 VanDerWaalsContact O-NE 3.08Å; C23-R35 PolarHBondContact O-NH2 3.18Å; C23-I38 HydrophobicContact CB-CG2 3.91Å |
| 24 | N | 90.5 | Very high | 89.7 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 7% | 0.07 | 29% | 0.289 | C | S | . | . | trans | -81.3 | 162.9 | 175.9 | 85.5 | -17.7 | 0 | 0 | 0 | 112.1 | Y6 S7 F8 Y22 G26 F27 S28 | Y6-N24 PolarHBondContact O-ND2 3.18Å; S7-N24 WeakPolarHBondContact CA-OD1 3.38Å; F8-N24 HydrophobicContact CD1-CB 3.93Å; F8-N24 WeakPolarHBondContact CD1-ND2 3.44Å; F8-N24 HydrophobicContact CE1-CB 3.7Å; F8-N24 WeakPolarHBondContact CE1-ND2 3.36Å; F8-N24 HydrophobicContact CG-CB 4.47Å; F8-N24 HydrophobicContact CZ-CB 4.05Å; F8-N24 PolarHBondContact N-OD1 3.49Å; F8-N24 PolarHBondContact O-N 3.43Å; F8-N24 PolarHBondContact O-OD1 3.12Å; Y22-N24 HydrophobicContact CE1-CB 4.29Å; N24-G26 PolarHBondContact O-N 3.07Å; N24-G26 PolarHBondContact OD1-N 3.06Å; N24-F27 PolarHBondContact O-N 3.46Å; N24-F27 VanDerWaalsContact O-N 3.15Å; N24-F27 PolarHBondContact OD1-N 2.98Å; N24-S28 PolarHBondContact O-N 3.48Å | ||
| 25 | E | 88.3 | Confident | 89.8 | Confident | 117 Ų | 117 | 52.9 Ų | 52.9 | 55% | 0.547 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.5 | -18.6 | 178.3 | -62.4 | -173.6 | 166.5 | 0 | 0 | 113.8 | R29 | E25-R29 WeakPolarHBondContact O-CB 3.23Å; E25-R29 WeakPolarHBondContact O-CG 3.34Å; E25-R29 PolarHBondContact O-N 2.77Å; E25-R29 VanDerWaalsContact O-N 3.14Å; E25-R29 PolarHBondContact O-NE 2.92Å; E25-R29 IonicContact OE2-CZ 3.17Å; E25-R29 IonicContact OE2-NH1 2.6Å; E25-R29 IonicContact OE2-NH2 2.59Å; E25-R29 PolarHBondContact OE2-NH2 2.94Å |
| 26 | G | 85.3 | Confident | 89.9 | Confident | 22 Ų | 22 | 51 Ų | 51 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -52.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S7 N24 S28 R29 L30 | S7-G26 PolarHBondContact OG-O 2.89Å; N24-G26 PolarHBondContact O-N 3.07Å; N24-G26 PolarHBondContact OD1-N 3.06Å; G26-S28 PolarHBondContact O-N 2.88Å; G26-R29 PolarHBondContact O-N 3.07Å; G26-L30 VanDerWaalsContact O-CB 3.25Å; G26-L30 WeakPolarHBondContact O-CB 3.24Å; G26-L30 PolarHBondContact O-N 3.09Å |
| 27 | F | 89.4 | Confident | 90.2 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -43 | -179.4 | -169.1 | -104 | 0 | 0 | 0 | 113.3 | S7 V9 C23 N24 R29 L30 T31 I38 F48 F108 | S7-F27 PolarHBondContact OG-N 2.8Å; V9-F27 HydrophobicContact CG2-CB 4.38Å; V9-F27 HydrophobicContact CG2-CD1 3.44Å; V9-F27 VanDerWaalsContact CG2-CD1 3.44Å; V9-F27 HydrophobicContact CG2-CD2 3.78Å; V9-F27 HydrophobicContact CG2-CE1 3.47Å; V9-F27 VanDerWaalsContact CG2-CE1 3.47Å; V9-F27 HydrophobicContact CG2-CE2 3.81Å; V9-F27 HydrophobicContact CG2-CG 3.59Å; V9-F27 HydrophobicContact CG2-CZ 3.64Å; C23-F27 HydrophobicContact CB-CD1 4.02Å; N24-F27 PolarHBondContact O-N 3.46Å; N24-F27 VanDerWaalsContact O-N 3.15Å; N24-F27 PolarHBondContact OD1-N 2.98Å; F27-R29 PolarHBondContact O-N 2.82Å; F27-L30 PolarHBondContact O-N 3.28Å; F27-T31 HydrophobicContact CD1-CG2 4.34Å; F27-T31 HydrophobicContact CD2-CG2 4.2Å; F27-T31 HydrophobicContact CE1-CG2 4.04Å; F27-T31 HydrophobicContact CE2-CG2 3.89Å; F27-T31 HydrophobicContact CG-CG2 4.42Å; F27-T31 HydrophobicContact CZ-CG2 3.82Å; F27-T31 WeakPolarHBondContact O-CB 3.49Å; F27-T31 VanDerWaalsContact O-CG2 3.31Å; F27-T31 WeakPolarHBondContact O-CG2 3.32Å; F27-T31 PolarHBondContact O-N 2.81Å; F27-T31 PolarHBondContact O-OG1 3.25Å; F27-I38 HydrophobicContact CD1-CD1 3.88Å; F27-I38 HydrophobicContact CD1-CG2 4.27Å; F27-I38 HydrophobicContact CE1-CD1 4.04Å; F27-I38 HydrophobicContact CE1-CG1 4.35Å; F27-I38 HydrophobicContact CE1-CG2 3.97Å; F27-F48 AromaticContact CE1-CE2 3.91Å; F27-F48 HydrophobicContact CE1-CE2 3.91Å; F27-F48 AromaticContact CE1-CZ 3.95Å; F27-F48 HydrophobicContact CE1-CZ 3.95Å; F27-F48 AromaticContact CZ-CE2 3.54Å; F27-F48 HydrophobicContact CZ-CE2 3.54Å; F27-F48 AromaticContact CZ-CZ 3.89Å; F27-F48 HydrophobicContact CZ-CZ 3.89Å; F27-F108 HydrophobicContact CD2-CB 4.3Å; F27-F108 AromaticContact CD2-CD2 3.52Å; F27-F108 HydrophobicContact CD2-CD2 3.52Å; F27-F108 AromaticContact CD2-CE2 3.97Å; F27-F108 HydrophobicContact CD2-CE2 3.97Å; F27-F108 AromaticContact CD2-CG 3.94Å; F27-F108 HydrophobicContact CD2-CG 3.94Å; F27-F108 HydrophobicContact CE2-CB 4.36Å; F27-F108 AromaticContact CE2-CD1 3.98Å; F27-F108 HydrophobicContact CE2-CD1 3.98Å; F27-F108 AromaticContact CE2-CD2 3.36Å; F27-F108 HydrophobicContact CE2-CD2 3.36Å; F27-F108 HydrophobicContact CE2-CE1 4.07Å; F27-F108 AromaticContact CE2-CE2 3.47Å; F27-F108 HydrophobicContact CE2-CE2 3.47Å; F27-F108 VanDerWaalsContact CE2-CE2 3.47Å; F27-F108 AromaticContact CE2-CG 3.63Å; F27-F108 HydrophobicContact CE2-CG 3.63Å; F27-F108 AromaticContact CE2-CZ 3.83Å; F27-F108 HydrophobicContact CE2-CZ 3.83Å; F27-F108 HydrophobicContact CZ-CD2 4.42Å; F27-F108 HydrophobicContact CZ-CE2 4.13Å; F27-F108 HydrophobicContact CZ-CZ 4.26Å |
| 28 | S | 89.9 | Confident | 90.5 | Very high | 23 Ų | 23 | 42.8 Ų | 42.8 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 173.9 | -68 | 0 | 0 | 0 | 0 | 112.7 | N24 G26 T31 G32 Y33 | N24-S28 PolarHBondContact O-N 3.48Å; G26-S28 PolarHBondContact O-N 2.88Å; S28-T31 PolarHBondContact O-OG1 2.9Å; S28-G32 WeakPolarHBondContact O-CA 3.5Å; S28-G32 PolarHBondContact O-N 3.44Å; S28-Y33 VanDerWaalsContact CA-O 3.31Å; S28-Y33 WeakPolarHBondContact CA-O 3.13Å; S28-Y33 WeakPolarHBondContact CB-O 3.19Å; S28-Y33 PolarHBondContact OG-O 3.27Å |
| 29 | R | 87.3 | Confident | 90.3 | Very high | 156 Ų | 156 | 44 Ų | 44 | 59% | 0.589 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -70.2 | -35 | 176.4 | -76.7 | 179.9 | -77 | -146.9 | -11.3 | 113.2 | E25 G26 F27 | E25-R29 WeakPolarHBondContact O-CB 3.23Å; E25-R29 WeakPolarHBondContact O-CG 3.34Å; E25-R29 PolarHBondContact O-N 2.77Å; E25-R29 VanDerWaalsContact O-N 3.14Å; E25-R29 PolarHBondContact O-NE 2.92Å; E25-R29 IonicContact OE2-CZ 3.17Å; E25-R29 IonicContact OE2-NH1 2.6Å; E25-R29 IonicContact OE2-NH2 2.59Å; E25-R29 PolarHBondContact OE2-NH2 2.94Å; G26-R29 PolarHBondContact O-N 3.07Å; F27-R29 PolarHBondContact O-N 2.82Å |
| 30 | L | 86.9 | Confident | 90.1 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 12% | 0.12 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 178.8 | 175.6 | 61.5 | 0 | 0 | 0 | 111.9 | G26 F27 K79 F85 L87 F108 D110 | G26-L30 VanDerWaalsContact O-CB 3.25Å; G26-L30 WeakPolarHBondContact O-CB 3.24Å; G26-L30 PolarHBondContact O-N 3.09Å; F27-L30 PolarHBondContact O-N 3.28Å; L30-K79 WeakPolarHBondContact O-CD 3.04Å; L30-K79 WeakPolarHBondContact O-CE 3.47Å; L30-K79 PolarHBondContact O-NZ 3.17Å; L30-F85 HydrophobicContact CD1-CD2 4.43Å; L30-F85 HydrophobicContact CD1-CE2 3.9Å; L30-F85 HydrophobicContact CG-CE2 3.99Å; L30-L87 HydrophobicContact CD1-CD2 4.25Å; L30-L87 HydrophobicContact CD2-CD1 4.37Å; L30-L87 HydrophobicContact CD2-CD2 3.92Å; L30-L87 HydrophobicContact CG-CD2 4.41Å; L30-F108 HydrophobicContact CD2-CB 4.08Å; L30-D110 HydrophobicContact CD1-CB 4.23Å |
| 31 | T | 89.7 | Confident | 90 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -94 | -26.1 | -173.3 | 59.5 | 0 | 0 | 0 | 0 | 114 | F27 S28 Y33 F48 K79 K80 | F27-T31 HydrophobicContact CD1-CG2 4.34Å; F27-T31 HydrophobicContact CD2-CG2 4.2Å; F27-T31 HydrophobicContact CE1-CG2 4.04Å; F27-T31 HydrophobicContact CE2-CG2 3.89Å; F27-T31 HydrophobicContact CG-CG2 4.42Å; F27-T31 HydrophobicContact CZ-CG2 3.82Å; F27-T31 WeakPolarHBondContact O-CB 3.49Å; F27-T31 VanDerWaalsContact O-CG2 3.31Å; F27-T31 WeakPolarHBondContact O-CG2 3.32Å; F27-T31 PolarHBondContact O-N 2.81Å; F27-T31 PolarHBondContact O-OG1 3.25Å; S28-T31 PolarHBondContact O-OG1 2.9Å; T31-Y33 PolarHBondContact OG1-N 3.29Å; T31-F48 HydrophobicContact CG2-CD1 4.5Å; T31-F48 HydrophobicContact CG2-CE1 3.65Å; T31-F48 HydrophobicContact CG2-CE2 4.31Å; T31-F48 HydrophobicContact CG2-CZ 3.52Å; T31-K79 WeakPolarHBondContact O-CA 3.46Å; T31-K80 PolarHBondContact O-N 2.78Å |
| 32 | G | 87.9 | Confident | 90 | Very high | 46 Ų | 46 | 53.6 Ų | 53.6 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | trans | 84.9 | 2.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S28 K80 | S28-G32 WeakPolarHBondContact O-CA 3.5Å; S28-G32 PolarHBondContact O-N 3.44Å; G32-K80 WeakPolarHBondContact O-CD 3.49Å | ||
| 33 | Y | 91.3 | Very high | 89.7 | Confident | 53 Ų | 53 | 49.2 Ų | 49.2 | 21% | 0.208 | 25% | 0.251 | C | S | . | . | trans | -96.6 | 145 | 177.4 | -71.3 | -100 | 0 | 0 | 0 | 111.9 | S28 T31 E37 I38 F48 K80 | S28-Y33 VanDerWaalsContact CA-O 3.31Å; S28-Y33 WeakPolarHBondContact CA-O 3.13Å; S28-Y33 WeakPolarHBondContact CB-O 3.19Å; S28-Y33 PolarHBondContact OG-O 3.27Å; T31-Y33 PolarHBondContact OG1-N 3.29Å; Y33-E37 HydrophobicContact CD1-CB 4.05Å; Y33-I38 WeakPolarHBondContact O-CD1 3.43Å; Y33-F48 HydrophobicContact CD2-CD1 4.44Å; Y33-F48 AromaticContact CD2-CE1 3.53Å; Y33-F48 HydrophobicContact CD2-CE1 3.53Å; Y33-F48 HydrophobicContact CD2-CZ 4.25Å; Y33-F48 HydrophobicContact CE2-CD1 4.07Å; Y33-F48 AromaticContact CE2-CE1 3.58Å; Y33-F48 HydrophobicContact CE2-CE1 3.58Å; Y33-F48 HydrophobicContact CG-CE1 4.44Å; Y33-K80 HydrophobicContact CD1-CD 4Å; Y33-K80 HydrophobicContact CD1-CG 4.21Å; Y33-K80 HydrophobicContact CD2-CB 3.71Å; Y33-K80 HydrophobicContact CD2-CD 4.44Å; Y33-K80 HydrophobicContact CD2-CG 4.25Å; Y33-K80 HydrophobicContact CE1-CB 4.42Å; Y33-K80 HydrophobicContact CE1-CD 4.24Å; Y33-K80 HydrophobicContact CE1-CG 4Å; Y33-K80 VanDerWaalsContact CE2-CA 3.48Å; Y33-K80 HydrophobicContact CE2-CB 3.55Å; Y33-K80 HydrophobicContact CE2-CG 4.05Å; Y33-K80 HydrophobicContact CG-CB 4.25Å; Y33-K80 HydrophobicContact CG-CD 4.12Å; Y33-K80 HydrophobicContact CG-CG 4.36Å | ||
| 34 | S | 91.5 | Very high | 89.5 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 31% | 0.308 | 25% | 0.253 | S | S | . | . | trans | -70.2 | 156.9 | 173 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | V36 E37 I38 | S34-V36 PolarHBondContact O-N 3.13Å; S34-E37 WeakPolarHBondContact CB-OE2 3.29Å; S34-E37 PolarHBondContact N-OE2 2.6Å; S34-E37 PolarHBondContact O-N 3.24Å; S34-E37 VanDerWaalsContact O-N 3.11Å; S34-E37 VanDerWaalsContact OG-CD 3.31Å; S34-E37 VanDerWaalsContact OG-CG 3.26Å; S34-E37 WeakPolarHBondContact OG-CG 3.27Å; S34-E37 PolarHBondContact OG-N 3.32Å; S34-E37 PolarHBondContact OG-OE2 3.41Å; S34-I38 WeakPolarHBondContact O-CD1 3.29Å; S34-I38 WeakPolarHBondContact O-CG1 3.47Å; S34-I38 PolarHBondContact O-N 2.75Å | ||
| 35 | R | 90.7 | Very high | 89.4 | Confident | 79 Ų | 79 | 49 Ų | 49 | 30% | 0.298 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -54.9 | -36.6 | 174.6 | 177.6 | 174.7 | -72.9 | 145.6 | -5.3 | 112 | C23 E37 I38 M39 | C23-R35 PolarHBondContact O-NE 2.98Å; C23-R35 VanDerWaalsContact O-NE 3.08Å; C23-R35 PolarHBondContact O-NH2 3.18Å; R35-E37 VanDerWaalsContact C-N 3.33Å; R35-E37 PolarHBondContact O-N 2.99Å; R35-I38 PolarHBondContact O-N 3.02Å; R35-M39 HydrophobicContact CG-CG 4.18Å; R35-M39 HydrophobicContact CG-SD 3.77Å; R35-M39 WeakPolarHBondContact O-CG 3.38Å; R35-M39 PolarHBondContact O-N 3.3Å |
| 36 | V | 90.9 | Very high | 89.3 | Confident | 50 Ų | 50 | 45.7 Ų | 45.7 | 30% | 0.303 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.7 | -39 | 179.1 | -155 | 0 | 0 | 0 | 0 | 112 | S34 C1369 Q1370 L1371 | S34-V36 PolarHBondContact O-N 3.13Å; V36-C1369 HydrophobicContact CG1-CB 4.28Å; V36-Q1370 HydrophobicContact CG2-CB 3.78Å; V36-L1371 HydrophobicContact CG2-CD1 4.43Å |
| 37 | E | 91.4 | Very high | 89.4 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -77.9 | -23.2 | -179.7 | -68 | 166 | 119.8 | 0 | 0 | 113.3 | Y33 S34 R35 K41 K80 | Y33-E37 HydrophobicContact CD1-CB 4.05Å; S34-E37 WeakPolarHBondContact CB-OE2 3.29Å; S34-E37 PolarHBondContact N-OE2 2.6Å; S34-E37 PolarHBondContact O-N 3.24Å; S34-E37 VanDerWaalsContact O-N 3.11Å; S34-E37 VanDerWaalsContact OG-CD 3.31Å; S34-E37 VanDerWaalsContact OG-CG 3.26Å; S34-E37 WeakPolarHBondContact OG-CG 3.27Å; S34-E37 PolarHBondContact OG-N 3.32Å; S34-E37 PolarHBondContact OG-OE2 3.41Å; R35-E37 VanDerWaalsContact C-N 3.33Å; R35-E37 PolarHBondContact O-N 2.99Å; E37-K41 WeakPolarHBondContact O-CE 3.39Å; E37-K41 VanDerWaalsContact O-CG 3.3Å; E37-K41 WeakPolarHBondContact O-CG 3.09Å; E37-K80 VanDerWaalsContact OE1-CE 3.32Å; E37-K80 WeakPolarHBondContact OE1-CE 3.47Å; E37-K80 IonicContact OE1-NZ 3.6Å; E37-K80 PolarHBondContact OE1-NZ 3.38Å; E37-K80 IonicContact OE2-NZ 3.77Å; E37-K80 PolarHBondContact OE2-NZ 2.73Å |
| 38 | I | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -89.4 | -35.5 | -177.2 | -69.9 | 159.7 | 0 | 0 | 0 | 112 | I20 C23 F27 Y33 S34 R35 K41 F47 | I20-I38 HydrophobicContact CD1-CG2 4.28Å; I20-I38 HydrophobicContact CG2-CG2 3.96Å; C23-I38 HydrophobicContact CB-CG2 3.91Å; F27-I38 HydrophobicContact CD1-CD1 3.88Å; F27-I38 HydrophobicContact CD1-CG2 4.27Å; F27-I38 HydrophobicContact CE1-CD1 4.04Å; F27-I38 HydrophobicContact CE1-CG1 4.35Å; F27-I38 HydrophobicContact CE1-CG2 3.97Å; Y33-I38 WeakPolarHBondContact O-CD1 3.43Å; S34-I38 WeakPolarHBondContact O-CD1 3.29Å; S34-I38 WeakPolarHBondContact O-CG1 3.47Å; S34-I38 PolarHBondContact O-N 2.75Å; R35-I38 PolarHBondContact O-N 3.02Å; I38-K41 WeakPolarHBondContact O-CB 3.49Å; I38-K41 WeakPolarHBondContact O-CG 3.25Å; I38-K41 PolarHBondContact O-N 3.02Å; I38-F47 HydrophobicContact CG1-CE2 4.3Å; I38-F47 HydrophobicContact CG1-CZ 4.33Å; I38-F47 HydrophobicContact CG2-CZ 4.46Å |
| 39 | M | 89.5 | Confident | 89.5 | Confident | 67 Ų | 67 | 49 Ų | 49 | 33% | 0.33 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 148.9 | 178.3 | -73.9 | 179.2 | 65.7 | 0 | 0 | 112 | I20 V21 R35 K41 | I20-M39 WeakPolarHBondContact O-CA 3.33Å; V21-M39 WeakPolarHBondContact O-CE 3.44Å; R35-M39 HydrophobicContact CG-CG 4.18Å; R35-M39 HydrophobicContact CG-SD 3.77Å; R35-M39 WeakPolarHBondContact O-CG 3.38Å; R35-M39 PolarHBondContact O-N 3.3Å; M39-K41 PolarHBondContact O-N 2.78Å; M39-K41 VanDerWaalsContact O-N 3.1Å |
| 40 | Q | 90 | Very high | 89.4 | Confident | 144 Ų | 144 | 42.9 Ų | 42.9 | 67% | 0.673 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 10.8 | -174.5 | -52.1 | -64.5 | -4.9 | 0 | 0 | 115.3 | I20 | I20-Q40 PolarHBondContact O-N 3.07Š|
| 41 | K | 92.2 | Very high | 89.3 | Confident | 98 Ų | 98 | 51.1 Ų | 51.1 | 43% | 0.426 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -84.2 | 158.7 | 165.5 | -56.3 | -57.5 | -177.9 | -174.1 | 0 | 110.5 | P19 I20 E37 I38 M39 F47 | P19-K41 WeakPolarHBondContact CA-O 3.5Å; I20-K41 WeakPolarHBondContact CB-O 3.42Å; I20-K41 HydrophobicContact CD1-CB 4.33Å; I20-K41 VanDerWaalsContact CG1-O 3.3Å; I20-K41 WeakPolarHBondContact CG1-O 3.49Å; I20-K41 PolarHBondContact N-O 3.03Å; E37-K41 WeakPolarHBondContact O-CE 3.39Å; E37-K41 VanDerWaalsContact O-CG 3.3Å; E37-K41 WeakPolarHBondContact O-CG 3.09Å; I38-K41 WeakPolarHBondContact O-CB 3.49Å; I38-K41 WeakPolarHBondContact O-CG 3.25Å; I38-K41 PolarHBondContact O-N 3.02Å; M39-K41 PolarHBondContact O-N 2.78Å; M39-K41 VanDerWaalsContact O-N 3.1Å; K41-F47 HydrophobicContact CB-CD1 3.65Å; K41-F47 HydrophobicContact CB-CE1 3.32Å; K41-F47 HydrophobicContact CB-CZ 3.94Å; K41-F47 HydrophobicContact CG-CD1 3.99Å; K41-F47 HydrophobicContact CG-CE1 3.8Å; K41-F47 HydrophobicContact CG-CE2 4.43Å; K41-F47 HydrophobicContact CG-CG 4.41Å; K41-F47 HydrophobicContact CG-CZ 4.01Å |
| 42 | S | 91.3 | Very high | 89 | Confident | 30 Ų | 30 | 55.8 Ų | 55.8 | 21% | 0.21 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -64.4 | 136.9 | 176.7 | 176.7 | 0 | 0 | 0 | 0 | 112.3 | D17 S44 C45 | D17-S42 WeakPolarHBondContact O-CA 3.47Å; D17-S42 WeakPolarHBondContact O-CB 3.42Å; D17-S42 PolarHBondContact O-OG 3.18Å; S42-S44 WeakPolarHBondContact CB-OG 3.22Å; S42-S44 PolarHBondContact O-N 3.24Å; S42-S44 WeakPolarHBondContact OG-CB 3.48Å; S42-S44 PolarHBondContact OG-N 2.87Å; S42-S44 PolarHBondContact OG-OG 3.29Å; S42-C45 PolarHBondContact O-N 3.24Å |
| 43 | G | 86.9 | Confident | 89 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D17 Y18 C45 L106 | D17-G43 PolarHBondContact O-N 3.24Å; Y18-G43 WeakPolarHBondContact O-CA 3.17Å; Y18-G43 PolarHBondContact O-N 3.45Å; G43-C45 PolarHBondContact O-N 3.23Å; G43-C45 VanDerWaalsContact O-N 3.16Å; G43-L106 VanDerWaalsContact O-CD1 3.28Å; G43-L106 WeakPolarHBondContact O-CD1 3.22Å |
| 44 | S | 87.9 | Confident | 88.9 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -10.9 | 164.4 | 66.6 | 0 | 0 | 0 | 0 | 113.5 | S42 A46 Y49 L61 | S42-S44 WeakPolarHBondContact CB-OG 3.22Å; S42-S44 PolarHBondContact O-N 3.24Å; S42-S44 WeakPolarHBondContact OG-CB 3.48Å; S42-S44 PolarHBondContact OG-N 2.87Å; S42-S44 PolarHBondContact OG-OG 3.29Å; S44-A46 PolarHBondContact O-N 3.38Å; S44-Y49 PolarHBondContact O-OH 3.05Å; S44-L61 WeakPolarHBondContact O-CD2 3.49Å |
| 45 | C | 87.8 | Confident | 88.7 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | trans | 60.6 | 25.5 | -178 | -78.2 | 0 | 0 | 0 | 0 | 114.2 | S42 G43 F47 F48 F77 | S42-C45 PolarHBondContact O-N 3.24Å; G43-C45 PolarHBondContact O-N 3.23Å; G43-C45 VanDerWaalsContact O-N 3.16Å; C45-F47 PolarHBondContact O-N 3.27Å; C45-F48 HydrophobicContact CB-CD2 3.9Å; C45-F48 WeakPolarHBondContact O-CB 3.32Å; C45-F48 PolarHBondContact O-N 2.85Å; C45-F77 HydrophobicContact CB-CE1 3.97Å; C45-F77 HydrophobicContact CB-CZ 4.19Å | ||
| 46 | A | 86.3 | Confident | 88.7 | Confident | 47 Ų | 47 | 62 Ų | 62 | 39% | 0.388 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -56.3 | -26 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | S44 F48 Y49 | S44-A46 PolarHBondContact O-N 3.38Å; A46-F48 PolarHBondContact O-N 3.38Å; A46-Y49 VanDerWaalsContact CA-CE2 3.47Å; A46-Y49 HydrophobicContact CB-CD2 3.97Å; A46-Y49 HydrophobicContact CB-CE2 3.66Å; A46-Y49 WeakPolarHBondContact O-CB 3.46Å; A46-Y49 PolarHBondContact O-N 2.89Å |
| 47 | F | 87.9 | Confident | 88.6 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -74.6 | -3.8 | 176.6 | 66.1 | -78.9 | 0 | 0 | 0 | 114.4 | I20 I38 K41 C45 | I20-F47 HydrophobicContact CD1-CE1 4.19Å; I20-F47 HydrophobicContact CD1-CZ 4.48Å; I38-F47 HydrophobicContact CG1-CE2 4.3Å; I38-F47 HydrophobicContact CG1-CZ 4.33Å; I38-F47 HydrophobicContact CG2-CZ 4.46Å; K41-F47 HydrophobicContact CB-CD1 3.65Å; K41-F47 HydrophobicContact CB-CE1 3.32Å; K41-F47 HydrophobicContact CB-CZ 3.94Å; K41-F47 HydrophobicContact CG-CD1 3.99Å; K41-F47 HydrophobicContact CG-CE1 3.8Å; K41-F47 HydrophobicContact CG-CE2 4.43Å; K41-F47 HydrophobicContact CG-CG 4.41Å; K41-F47 HydrophobicContact CG-CZ 4.01Å; C45-F47 PolarHBondContact O-N 3.27Å |
| 48 | F | 89.7 | Confident | 88.6 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 2% | 0.022 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -103.5 | -2.6 | 171.9 | -64.5 | -63.8 | 0 | 0 | 0 | 113.5 | F27 T31 Y33 C45 A46 F77 Y78 | F27-F48 AromaticContact CE1-CE2 3.91Å; F27-F48 HydrophobicContact CE1-CE2 3.91Å; F27-F48 AromaticContact CE1-CZ 3.95Å; F27-F48 HydrophobicContact CE1-CZ 3.95Å; F27-F48 AromaticContact CZ-CE2 3.54Å; F27-F48 HydrophobicContact CZ-CE2 3.54Å; F27-F48 AromaticContact CZ-CZ 3.89Å; F27-F48 HydrophobicContact CZ-CZ 3.89Å; T31-F48 HydrophobicContact CG2-CD1 4.5Å; T31-F48 HydrophobicContact CG2-CE1 3.65Å; T31-F48 HydrophobicContact CG2-CE2 4.31Å; T31-F48 HydrophobicContact CG2-CZ 3.52Å; Y33-F48 HydrophobicContact CD2-CD1 4.44Å; Y33-F48 AromaticContact CD2-CE1 3.53Å; Y33-F48 HydrophobicContact CD2-CE1 3.53Å; Y33-F48 HydrophobicContact CD2-CZ 4.25Å; Y33-F48 HydrophobicContact CE2-CD1 4.07Å; Y33-F48 AromaticContact CE2-CE1 3.58Å; Y33-F48 HydrophobicContact CE2-CE1 3.58Å; Y33-F48 HydrophobicContact CG-CE1 4.44Å; C45-F48 HydrophobicContact CB-CD2 3.9Å; C45-F48 WeakPolarHBondContact O-CB 3.32Å; C45-F48 PolarHBondContact O-N 2.85Å; A46-F48 PolarHBondContact O-N 3.38Å; F48-F77 HydrophobicContact CB-CB 4.12Å; F48-F77 HydrophobicContact CB-CD1 3.36Å; F48-F77 HydrophobicContact CB-CE1 4.03Å; F48-F77 HydrophobicContact CB-CG 4.06Å; F48-F77 HydrophobicContact CG-CD1 4.47Å; F48-F77 WeakPolarHBondContact O-CA 3.48Å; F48-Y78 WeakPolarHBondContact CD1-O 3.43Å; F48-Y78 PolarHBondContact O-N 3.21Å |
| 49 | Y | 90.4 | Very high | 88.5 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 22% | 0.216 | 33% | 0.328 | C | S | . | . | trans | -71.2 | 151.8 | 177.6 | -59 | -18.8 | 0 | 0 | 0 | 111.3 | S44 A46 T53 R58 M75 F77 | S44-Y49 PolarHBondContact O-OH 3.05Å; A46-Y49 VanDerWaalsContact CA-CE2 3.47Å; A46-Y49 HydrophobicContact CB-CD2 3.97Å; A46-Y49 HydrophobicContact CB-CE2 3.66Å; A46-Y49 WeakPolarHBondContact O-CB 3.46Å; A46-Y49 PolarHBondContact O-N 2.89Å; Y49-T53 HydrophobicContact CD1-CG2 3.89Å; Y49-T53 HydrophobicContact CG-CG2 4.28Å; Y49-R58 HydrophobicContact CD1-CG 4.19Å; Y49-R58 HydrophobicContact CD2-CG 4.3Å; Y49-R58 HydrophobicContact CE1-CG 3.72Å; Y49-R58 HydrophobicContact CE2-CB 4.38Å; Y49-R58 HydrophobicContact CE2-CG 3.84Å; Y49-R58 HydrophobicContact CG-CG 4.46Å; Y49-M75 HydrophobicContact CE1-CE 4.15Å; Y49-F77 HydrophobicContact CD1-CD1 4.25Å; Y49-F77 AromaticContact CD1-CE1 3.93Å; Y49-F77 HydrophobicContact CD1-CE1 3.93Å; Y49-F77 AromaticContact CE1-CE1 3.91Å; Y49-F77 HydrophobicContact CE1-CE1 3.91Å | ||
| 50 | G | 86.5 | Confident | 88.6 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | trans | -154.1 | -164.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q52 T53 | G50-Q52 VanDerWaalsContact C-N 3.32Å; G50-Q52 PolarHBondContact O-N 3.03Å; G50-T53 PolarHBondContact N-OG1 2.96Å; G50-T53 WeakPolarHBondContact O-CB 3.32Å; G50-T53 PolarHBondContact O-N 3.33Å; G50-T53 PolarHBondContact O-OG1 3.14Å | ||
| 51 | E | 83.7 | Confident | 88.7 | Confident | 196 Ų | 196 | 62.3 Ų | 62.3 | 92% | 0.916 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -37.4 | -168.6 | -67.7 | 165.4 | -167.4 | 0 | 0 | 113.7 | T53 Y78 | E51-T53 VanDerWaalsContact C-N 3.35Å; E51-Y78 PolarHBondContact N-OH 3.08Å |
| 52 | Q | 82.8 | Confident | 88.7 | Confident | 99 Ų | 99 | 60.9 Ų | 60.9 | 46% | 0.463 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -0.6 | 178.3 | -62.1 | 176.3 | -3.1 | 0 | 0 | 113.8 | G50 T54 L76 Y78 | G50-Q52 VanDerWaalsContact C-N 3.32Å; G50-Q52 PolarHBondContact O-N 3.03Å; Q52-T54 PolarHBondContact O-N 2.75Å; Q52-L76 HydrophobicContact CB-CD1 3.81Å; Q52-L76 HydrophobicContact CB-CD2 3.81Å; Q52-L76 HydrophobicContact CB-CG 4.44Å; Q52-Y78 WeakPolarHBondContact CB-OH 3.33Å; Q52-Y78 WeakPolarHBondContact CG-OH 3.29Å; Q52-Y78 PolarHBondContact N-OH 3.2Å |
| 53 | T | 88.2 | Confident | 88.7 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -79.1 | 105.2 | 176.9 | -52 | 0 | 0 | 0 | 0 | 109.8 | Y49 G50 E51 R58 M75 L76 | Y49-T53 HydrophobicContact CD1-CG2 3.89Å; Y49-T53 HydrophobicContact CG-CG2 4.28Å; G50-T53 PolarHBondContact N-OG1 2.96Å; G50-T53 WeakPolarHBondContact O-CB 3.32Å; G50-T53 PolarHBondContact O-N 3.33Å; G50-T53 PolarHBondContact O-OG1 3.14Å; E51-T53 VanDerWaalsContact C-N 3.35Å; T53-R58 HydrophobicContact CG2-CG 3.85Å; T53-R58 PolarHBondContact O-NE 2.98Å; T53-R58 PolarHBondContact O-NH2 2.7Å; T53-M75 HydrophobicContact CG2-CE 4.27Å; T53-L76 WeakPolarHBondContact CB-O 3.23Å; T53-L76 WeakPolarHBondContact CG2-O 3.33Å; T53-L76 PolarHBondContact OG1-O 3.03Å |
| 54 | T | 88.8 | Confident | 88.9 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | trans | -57.1 | 152.7 | -178.2 | 64.6 | 0 | 0 | 0 | 0 | 112.7 | Q52 M57 R58 | Q52-T54 PolarHBondContact O-N 2.75Å; T54-M57 WeakPolarHBondContact OG1-CB 3.41Å; T54-M57 VanDerWaalsContact OG1-CG 3.28Å; T54-M57 WeakPolarHBondContact OG1-CG 3.4Å; T54-M57 PolarHBondContact OG1-SD 2.76Å; T54-R58 WeakPolarHBondContact O-CG 3.44Å; T54-R58 PolarHBondContact O-NE 3.32Å | ||
| 55 | K | 88.7 | Confident | 89.1 | Confident | 135 Ų | 135 | 66.4 Ų | 66.4 | 59% | 0.587 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -73.7 | -43.9 | -179.4 | -169.5 | 171.2 | -178.5 | -86.8 | 0 | 111.7 | M57 R58 E59 | K55-M57 PolarHBondContact O-N 3.35Å; K55-R58 WeakPolarHBondContact O-CB 3.45Å; K55-R58 PolarHBondContact O-N 2.69Å; K55-R58 VanDerWaalsContact O-N 3.09Å; K55-E59 WeakPolarHBondContact CE-OE1 3.18Å; K55-E59 HydrophobicContact CG-CG 4.48Å; K55-E59 IonicContact NZ-OE1 2.74Å; K55-E59 PolarHBondContact NZ-OE1 3.1Å; K55-E59 PolarHBondContact O-N 2.72Å |
| 56 | E | 90.5 | Very high | 89.3 | Confident | 150 Ų | 150 | 71 Ų | 71 | 70% | 0.701 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -51.7 | -47.6 | 177.5 | -176.2 | -169.9 | 167.9 | 0 | 0 | 113.1 | R58 E59 R60 | E56-R58 VanDerWaalsContact C-N 3.32Å; E56-R58 PolarHBondContact O-N 3.16Å; E56-E59 PolarHBondContact O-N 3.35Å; E56-R60 WeakPolarHBondContact O-CB 3.43Å; E56-R60 PolarHBondContact O-N 2.79Å |
| 57 | M | 88.1 | Confident | 89.5 | Confident | 46 Ų | 46 | 71.6 Ų | 71.6 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.9 | -31.3 | -179 | -70.8 | 166.5 | 163.6 | 0 | 0 | 112.6 | T54 K55 L61 I73 E74 M75 W86 | T54-M57 WeakPolarHBondContact OG1-CB 3.41Å; T54-M57 VanDerWaalsContact OG1-CG 3.28Å; T54-M57 WeakPolarHBondContact OG1-CG 3.4Å; T54-M57 PolarHBondContact OG1-SD 2.76Å; K55-M57 PolarHBondContact O-N 3.35Å; M57-L61 PolarHBondContact O-N 2.81Å; M57-I73 HydrophobicContact CB-CG2 4.34Å; M57-E74 VanDerWaalsContact CE-O 3.27Å; M57-E74 WeakPolarHBondContact CE-O 3.5Å; M57-M75 HydrophobicContact CB-CE 4.09Å; M57-M75 HydrophobicContact CB-CG 4.14Å; M57-W86 HydrophobicContact CE-CZ3 4.27Å; M57-W86 HydrophobicContact SD-CZ3 4.44Å |
| 58 | R | 91 | Very high | 89.6 | Confident | 77 Ų | 77 | 73 Ų | 73 | 29% | 0.291 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.7 | -42.6 | 174.2 | -66.1 | 179.8 | -87.7 | 163 | -14.9 | 111.4 | Y49 T53 T54 K55 E56 R60 L61 L62 M75 | Y49-R58 HydrophobicContact CD1-CG 4.19Å; Y49-R58 HydrophobicContact CD2-CG 4.3Å; Y49-R58 HydrophobicContact CE1-CG 3.72Å; Y49-R58 HydrophobicContact CE2-CB 4.38Å; Y49-R58 HydrophobicContact CE2-CG 3.84Å; Y49-R58 HydrophobicContact CG-CG 4.46Å; T53-R58 HydrophobicContact CG2-CG 3.85Å; T53-R58 PolarHBondContact O-NE 2.98Å; T53-R58 PolarHBondContact O-NH2 2.7Å; T54-R58 WeakPolarHBondContact O-CG 3.44Å; T54-R58 PolarHBondContact O-NE 3.32Å; K55-R58 WeakPolarHBondContact O-CB 3.45Å; K55-R58 PolarHBondContact O-N 2.69Å; K55-R58 VanDerWaalsContact O-N 3.09Å; E56-R58 VanDerWaalsContact C-N 3.32Å; E56-R58 PolarHBondContact O-N 3.16Å; R58-R60 VanDerWaalsContact C-N 3.33Å; R58-L61 PolarHBondContact O-N 2.85Å; R58-L62 WeakPolarHBondContact O-CG 3.29Å; R58-L62 PolarHBondContact O-N 2.94Å; R58-M75 HydrophobicContact CG-CE 3.79Å |
| 59 | E | 91 | Very high | 89.4 | Confident | 95 Ų | 95 | 75.7 Ų | 75.7 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 175.5 | -70.9 | 172.2 | 167.6 | 0 | 0 | 111.7 | K55 E56 K63 | K55-E59 WeakPolarHBondContact CE-OE1 3.18Å; K55-E59 HydrophobicContact CG-CG 4.48Å; K55-E59 IonicContact NZ-OE1 2.74Å; K55-E59 PolarHBondContact NZ-OE1 3.1Å; K55-E59 PolarHBondContact O-N 2.72Å; E56-E59 PolarHBondContact O-N 3.35Å; E59-K63 WeakPolarHBondContact O-CB 3.4Å; E59-K63 PolarHBondContact O-N 2.87Å |
| 60 | R | 91.9 | Very high | 89.3 | Confident | 116 Ų | 116 | 76.2 Ų | 76.2 | 44% | 0.438 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 172.6 | -171.1 | 176 | 167.9 | -172.8 | -10 | 112.6 | E56 R58 K63 A64 D71 Q72 I73 | E56-R60 WeakPolarHBondContact O-CB 3.43Å; E56-R60 PolarHBondContact O-N 2.79Å; R58-R60 VanDerWaalsContact C-N 3.33Å; R60-K63 PolarHBondContact O-N 3.1Å; R60-A64 PolarHBondContact O-N 3.36Å; R60-D71 WeakPolarHBondContact CG-OD2 3.48Å; R60-D71 IonicContact CZ-OD1 2.72Å; R60-D71 IonicContact CZ-OD2 2.71Å; R60-D71 IonicContact NE-OD1 3.43Å; R60-D71 IonicContact NE-OD2 3.65Å; R60-D71 PolarHBondContact NE-OD2 3.07Å; R60-D71 IonicContact NH2-OD1 3.26Å; R60-D71 PolarHBondContact NH2-OD1 3.48Å; R60-D71 IonicContact NH2-OD2 3.67Å; R60-D71 PolarHBondContact NH2-OD2 3.48Å; R60-Q72 PolarHBondContact NH2-O 2.82Å; R60-I73 HydrophobicContact CB-CD1 4.23Å; R60-I73 HydrophobicContact CG-CD1 3.82Å; R60-I73 HydrophobicContact CG-CG1 4.19Å |
| 61 | L | 91.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 177.1 | 177 | 59.8 | 0 | 0 | 0 | 112 | S44 M57 R58 A64 L65 I73 M75 V89 V91 L106 | S44-L61 WeakPolarHBondContact O-CD2 3.49Å; M57-L61 PolarHBondContact O-N 2.81Å; R58-L61 PolarHBondContact O-N 2.85Å; L61-A64 PolarHBondContact O-N 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.45Å; L61-L65 PolarHBondContact O-N 3.04Å; L61-I73 HydrophobicContact CB-CD1 3.85Å; L61-I73 HydrophobicContact CD1-CD1 4.19Å; L61-M75 HydrophobicContact CB-SD 4.13Å; L61-M75 HydrophobicContact CD2-CE 4.44Å; L61-M75 HydrophobicContact CD2-SD 3.78Å; L61-V89 HydrophobicContact CD1-CG1 4.25Å; L61-V91 HydrophobicContact CD1-CG2 3.59Å; L61-L106 HydrophobicContact CD1-CD2 4.41Å |
| 62 | L | 92.1 | Very high | 89.6 | Confident | 68 Ų | 68 | 70.3 Ų | 70.3 | 36% | 0.356 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 173 | -71.5 | 167.5 | 0 | 0 | 0 | 110.7 | R58 A64 L65 D66 | R58-L62 WeakPolarHBondContact O-CG 3.29Å; R58-L62 PolarHBondContact O-N 2.94Å; L62-A64 VanDerWaalsContact C-N 3.31Å; L62-A64 PolarHBondContact O-N 3.2Å; L62-L65 WeakPolarHBondContact O-CB 3.24Å; L62-L65 PolarHBondContact O-N 2.75Å; L62-L65 VanDerWaalsContact O-N 3.09Å; L62-D66 PolarHBondContact O-N 2.98Å |
| 63 | K | 91.7 | Very high | 89.9 | Confident | 150 Ų | 150 | 65.7 Ų | 65.7 | 65% | 0.652 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -55.5 | -42.2 | 177.9 | -174.7 | 177.1 | -179.4 | -179.6 | 0 | 112.7 | E59 R60 D66 S67 | E59-K63 WeakPolarHBondContact O-CB 3.4Å; E59-K63 PolarHBondContact O-N 2.87Å; R60-K63 PolarHBondContact O-N 3.1Å; K63-D66 PolarHBondContact O-N 3.5Å; K63-S67 WeakPolarHBondContact O-CB 3.28Å; K63-S67 PolarHBondContact O-N 3.09Å; K63-S67 PolarHBondContact O-OG 2.7Å |
| 64 | A | 91 | Very high | 90 | Very high | 3 Ų | 3 | 69.3 Ų | 69.3 | 3% | 0.025 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65 | -37.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R60 L61 L62 Q68 T69 D71 V91 | R60-A64 PolarHBondContact O-N 3.36Å; L61-A64 PolarHBondContact O-N 3.26Å; L62-A64 VanDerWaalsContact C-N 3.31Å; L62-A64 PolarHBondContact O-N 3.2Å; A64-Q68 PolarHBondContact O-N 2.98Å; A64-T69 PolarHBondContact O-N 3.21Å; A64-T69 VanDerWaalsContact O-N 3.12Å; A64-D71 HydrophobicContact CB-CB 3.76Å; A64-V91 HydrophobicContact CB-CG1 4.48Å; A64-V91 HydrophobicContact CB-CG2 4.34Å |
| 65 | L | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68 | -50.4 | 172.7 | -64.9 | 167.1 | 0 | 0 | 0 | 110.4 | Y18 L61 L62 S67 Q68 V91 F104 | Y18-L65 HydrophobicContact CD2-CB 3.98Å; Y18-L65 HydrophobicContact CD2-CD1 3.89Å; Y18-L65 HydrophobicContact CD2-CG 4.44Å; Y18-L65 HydrophobicContact CE2-CB 3.68Å; Y18-L65 HydrophobicContact CE2-CD1 4.33Å; L61-L65 WeakPolarHBondContact O-CG 3.45Å; L61-L65 PolarHBondContact O-N 3.04Å; L62-L65 WeakPolarHBondContact O-CB 3.24Å; L62-L65 PolarHBondContact O-N 2.75Å; L62-L65 VanDerWaalsContact O-N 3.09Å; L65-S67 PolarHBondContact O-N 3.18Å; L65-Q68 PolarHBondContact O-N 3.45Å; L65-V91 HydrophobicContact CD2-CG1 3.92Å; L65-F104 HydrophobicContact CB-CE2 4.46Å; L65-F104 HydrophobicContact CB-CZ 4.42Å; L65-F104 HydrophobicContact CD2-CB 4.08Å; L65-F104 HydrophobicContact CD2-CD1 3.81Å; L65-F104 HydrophobicContact CD2-CD2 3.7Å; L65-F104 HydrophobicContact CD2-CE1 4.14Å; L65-F104 HydrophobicContact CD2-CE2 4.02Å; L65-F104 HydrophobicContact CD2-CG 3.59Å; L65-F104 HydrophobicContact CD2-CZ 4.24Å; L65-F104 WeakPolarHBondContact O-CZ 3.48Å |
| 66 | D | 91.8 | Very high | 90.1 | Very high | 97 Ų | 97 | 60.2 Ų | 60.2 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | -177.5 | -61.6 | -24.3 | 0 | 0 | 0 | 112.8 | Y18 L62 K63 Q68 | Y18-D66 WeakPolarHBondContact CE2-OD1 3.39Å; Y18-D66 PolarHBondContact OH-OD1 3.07Å; L62-D66 PolarHBondContact O-N 2.98Å; K63-D66 PolarHBondContact O-N 3.5Å; D66-Q68 VanDerWaalsContact C-N 3.26Å; D66-Q68 PolarHBondContact O-N 2.86Å |
| 67 | S | 89.5 | Confident | 90.1 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 43% | 0.427 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -2.4 | 175.1 | 62.2 | 0 | 0 | 0 | 0 | 114.1 | K63 L65 T69 | K63-S67 WeakPolarHBondContact O-CB 3.28Å; K63-S67 PolarHBondContact O-N 3.09Å; K63-S67 PolarHBondContact O-OG 2.7Å; L65-S67 PolarHBondContact O-N 3.18Å; S67-T69 PolarHBondContact O-N 3.32Å; S67-T69 PolarHBondContact OG-OG1 2.8Å |
| 68 | Q | 90.2 | Very high | 90.2 | Very high | 84 Ų | 84 | 52.8 Ų | 52.8 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 36.9 | -177.5 | -51.5 | -174 | -1.5 | 0 | 0 | 113.4 | A64 L65 D66 P93 V101 F104 | A64-Q68 PolarHBondContact O-N 2.98Å; L65-Q68 PolarHBondContact O-N 3.45Å; D66-Q68 VanDerWaalsContact C-N 3.26Å; D66-Q68 PolarHBondContact O-N 2.86Å; Q68-P93 WeakPolarHBondContact O-CG 3.47Å; Q68-V101 HydrophobicContact CB-CG2 4.23Å; Q68-V101 VanDerWaalsContact OE1-CG2 3.25Å; Q68-F104 HydrophobicContact CG-CZ 4.24Å |
| 69 | T | 86.4 | Confident | 90.1 | Very high | 62 Ų | 62 | 51.3 Ų | 51.3 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | trans | -107.9 | 144.1 | -178.2 | 49.3 | 0 | 0 | 0 | 0 | 111.5 | A64 S67 | A64-T69 PolarHBondContact O-N 3.21Å; A64-T69 VanDerWaalsContact O-N 3.12Å; S67-T69 PolarHBondContact O-N 3.32Å; S67-T69 PolarHBondContact OG-OG1 2.8Å | ||
| 70 | P | 87.9 | Confident | 90.1 | Very high | 66 Ų | 66 | 51.5 Ų | 51.5 | 43% | 0.429 | 25% | 0.253 | S | S | . | . | trans | -68 | 133.1 | 169.1 | 30.1 | -33.4 | 0 | 0 | 0 | 110.3 | V91 L241 | P70-V91 VanDerWaalsContact CA-O 3.26Å; P70-V91 WeakPolarHBondContact CA-O 3.26Å; P70-L241 HydrophobicContact CB-CD2 3.92Å; P70-L241 HydrophobicContact CG-CD2 3.99Å | ||
| 71 | D | 87.9 | Confident | 89.9 | Confident | 40 Ų | 40 | 51 Ų | 51 | 21% | 0.214 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 158.1 | 177.2 | -165.3 | 13.2 | 0 | 0 | 0 | 110.8 | R60 A64 I73 V91 | R60-D71 WeakPolarHBondContact CG-OD2 3.48Å; R60-D71 IonicContact CZ-OD1 2.72Å; R60-D71 IonicContact CZ-OD2 2.71Å; R60-D71 IonicContact NE-OD1 3.43Å; R60-D71 IonicContact NE-OD2 3.65Å; R60-D71 PolarHBondContact NE-OD2 3.07Å; R60-D71 IonicContact NH2-OD1 3.26Å; R60-D71 PolarHBondContact NH2-OD1 3.48Å; R60-D71 IonicContact NH2-OD2 3.67Å; R60-D71 PolarHBondContact NH2-OD2 3.48Å; A64-D71 HydrophobicContact CB-CB 3.76Å; D71-I73 HydrophobicContact CB-CG1 4.44Å; D71-V91 PolarHBondContact N-O 2.79Å; D71-V91 PolarHBondContact O-N 2.87Å |
| 72 | Q | 87.5 | Confident | 89.4 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 119.5 | 175.3 | -65.9 | -163.3 | -3.3 | 0 | 0 | 110.7 | R60 L88 V89 C90 | R60-Q72 PolarHBondContact NH2-O 2.82Å; Q72-L88 HydrophobicContact CB-CD1 4.3Å; Q72-V89 WeakPolarHBondContact CA-O 3.29Å; Q72-C90 HydrophobicContact CG-CB 4.41Å |
| 73 | I | 89.8 | Confident | 89.1 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 116.5 | -168 | -47.4 | 175.7 | 0 | 0 | 0 | 108.6 | M57 R60 L61 D71 M75 V89 | M57-I73 HydrophobicContact CB-CG2 4.34Å; R60-I73 HydrophobicContact CB-CD1 4.23Å; R60-I73 HydrophobicContact CG-CD1 3.82Å; R60-I73 HydrophobicContact CG-CG1 4.19Å; L61-I73 HydrophobicContact CB-CD1 3.85Å; L61-I73 HydrophobicContact CD1-CD1 4.19Å; D71-I73 HydrophobicContact CB-CG1 4.44Å; I73-M75 HydrophobicContact CB-CG 4.39Å; I73-M75 HydrophobicContact CG2-CG 3.66Å; I73-M75 HydrophobicContact CG2-SD 4.11Å; I73-V89 PolarHBondContact N-O 3.36Å; I73-V89 PolarHBondContact O-N 3.39Å |
| 74 | E | 89.8 | Confident | 88.9 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 36% | 0.36 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 129.4 | 168.4 | -58.3 | -179.2 | 118.1 | 0 | 0 | 108.8 | M57 L87 L88 I111 K115 | M57-E74 VanDerWaalsContact CE-O 3.27Å; M57-E74 WeakPolarHBondContact CE-O 3.5Å; E74-L87 CarbonylContact C-O 3.59Å; E74-L87 WeakPolarHBondContact CA-O 3.5Å; E74-L88 HydrophobicContact CG-CD1 3.92Å; E74-I111 HydrophobicContact CB-CD1 4.01Å; E74-I111 HydrophobicContact CG-CD1 3.78Å; E74-I111 WeakPolarHBondContact OE1-CD1 3.4Å; E74-K115 VanDerWaalsContact CD-NZ 3.35Å; E74-K115 WeakPolarHBondContact OE1-CE 3.42Å; E74-K115 IonicContact OE1-NZ 2.61Å; E74-K115 WeakPolarHBondContact OE2-CE 3.49Å; E74-K115 IonicContact OE2-NZ 3.51Å; E74-K115 PolarHBondContact OE2-NZ 2.99Å |
| 75 | M | 89.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 142.2 | -177.7 | -61.6 | -166.3 | 69.2 | 0 | 0 | 111.4 | Y49 T53 M57 R58 L61 I73 F77 W86 L87 V89 | Y49-M75 HydrophobicContact CE1-CE 4.15Å; T53-M75 HydrophobicContact CG2-CE 4.27Å; M57-M75 HydrophobicContact CB-CE 4.09Å; M57-M75 HydrophobicContact CB-CG 4.14Å; R58-M75 HydrophobicContact CG-CE 3.79Å; L61-M75 HydrophobicContact CB-SD 4.13Å; L61-M75 HydrophobicContact CD2-CE 4.44Å; L61-M75 HydrophobicContact CD2-SD 3.78Å; I73-M75 HydrophobicContact CB-CG 4.39Å; I73-M75 HydrophobicContact CG2-CG 3.66Å; I73-M75 HydrophobicContact CG2-SD 4.11Å; M75-F77 HydrophobicContact CB-CD2 3.98Å; M75-F77 HydrophobicContact CB-CE2 3.53Å; M75-F77 HydrophobicContact CB-CZ 3.97Å; M75-F77 HydrophobicContact CE-CE1 4.4Å; M75-F77 HydrophobicContact CE-CZ 4.16Å; M75-F77 HydrophobicContact CG-CE2 4.32Å; M75-F77 HydrophobicContact CG-CZ 4.44Å; M75-F77 HydrophobicContact SD-CE2 4.21Å; M75-F77 HydrophobicContact SD-CZ 3.77Å; M75-W86 WeakPolarHBondContact O-CA 3.28Å; M75-L87 PolarHBondContact N-O 2.96Å; M75-L87 PolarHBondContact O-N 3.44Å; M75-V89 HydrophobicContact CB-CG2 4.48Å; M75-V89 HydrophobicContact CG-CG2 4.3Å; M75-V89 HydrophobicContact SD-CG2 4.27Å |
| 76 | L | 90.1 | Very high | 88.6 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122.2 | 167.5 | -173.2 | 159.2 | 0 | 0 | 0 | 109.5 | Q52 T53 Y78 P84 W86 | Q52-L76 HydrophobicContact CB-CD1 3.81Å; Q52-L76 HydrophobicContact CB-CD2 3.81Å; Q52-L76 HydrophobicContact CB-CG 4.44Å; T53-L76 WeakPolarHBondContact CB-O 3.23Å; T53-L76 WeakPolarHBondContact CG2-O 3.33Å; T53-L76 PolarHBondContact OG1-O 3.03Å; L76-Y78 HydrophobicContact CD2-CD2 4.02Å; L76-Y78 HydrophobicContact CD2-CE2 3.47Å; L76-Y78 VanDerWaalsContact CD2-CE2 3.47Å; L76-P84 HydrophobicContact CD1-CB 4.42Å; L76-P84 HydrophobicContact CD2-CB 3.87Å; L76-P84 HydrophobicContact CG-CB 4.33Å; L76-W86 HydrophobicContact CB-CD2 4.12Å; L76-W86 HydrophobicContact CB-CE3 4.34Å; L76-W86 HydrophobicContact CB-CZ2 4.32Å; L76-W86 HydrophobicContact CD1-CZ2 4.21Å |
| 77 | F | 91.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 168 | 177.9 | -72.1 | -70.6 | 0 | 0 | 0 | 111 | C45 F48 Y49 M75 P84 F85 L87 V89 | C45-F77 HydrophobicContact CB-CE1 3.97Å; C45-F77 HydrophobicContact CB-CZ 4.19Å; F48-F77 HydrophobicContact CB-CB 4.12Å; F48-F77 HydrophobicContact CB-CD1 3.36Å; F48-F77 HydrophobicContact CB-CE1 4.03Å; F48-F77 HydrophobicContact CB-CG 4.06Å; F48-F77 HydrophobicContact CG-CD1 4.47Å; F48-F77 WeakPolarHBondContact O-CA 3.48Å; Y49-F77 HydrophobicContact CD1-CD1 4.25Å; Y49-F77 AromaticContact CD1-CE1 3.93Å; Y49-F77 HydrophobicContact CD1-CE1 3.93Å; Y49-F77 AromaticContact CE1-CE1 3.91Å; Y49-F77 HydrophobicContact CE1-CE1 3.91Å; M75-F77 HydrophobicContact CB-CD2 3.98Å; M75-F77 HydrophobicContact CB-CE2 3.53Å; M75-F77 HydrophobicContact CB-CZ 3.97Å; M75-F77 HydrophobicContact CE-CE1 4.4Å; M75-F77 HydrophobicContact CE-CZ 4.16Å; M75-F77 HydrophobicContact CG-CE2 4.32Å; M75-F77 HydrophobicContact CG-CZ 4.44Å; M75-F77 HydrophobicContact SD-CE2 4.21Å; M75-F77 HydrophobicContact SD-CZ 3.77Å; F77-P84 CarbonylContact O-C 3.55Å; F77-P84 WeakPolarHBondContact O-CA 3.43Å; F77-F85 HydrophobicContact CB-CD1 4.29Å; F77-F85 HydrophobicContact CB-CE1 3.77Å; F77-F85 HydrophobicContact CB-CZ 4.29Å; F77-F85 PolarHBondContact N-O 3.25Å; F77-F85 WeakPolarHBondContact O-CD1 3.49Å; F77-F85 PolarHBondContact O-N 2.96Å; F77-L87 HydrophobicContact CD2-CB 3.94Å; F77-L87 HydrophobicContact CD2-CD1 3.71Å; F77-L87 HydrophobicContact CD2-CG 4.03Å; F77-L87 HydrophobicContact CE2-CB 4.23Å; F77-L87 HydrophobicContact CE2-CD1 4.23Å; F77-V89 HydrophobicContact CE2-CG2 3.65Å; F77-V89 HydrophobicContact CZ-CG2 4.13Å |
| 78 | Y | 90.4 | Very high | 88.3 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 15% | 0.149 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 133.1 | 178.6 | -71.9 | -106.1 | 0 | 0 | 0 | 110.8 | F48 E51 Q52 L76 R82 P84 | F48-Y78 WeakPolarHBondContact CD1-O 3.43Å; F48-Y78 PolarHBondContact O-N 3.21Å; E51-Y78 PolarHBondContact N-OH 3.08Å; Q52-Y78 WeakPolarHBondContact CB-OH 3.33Å; Q52-Y78 WeakPolarHBondContact CG-OH 3.29Å; Q52-Y78 PolarHBondContact N-OH 3.2Å; L76-Y78 HydrophobicContact CD2-CD2 4.02Å; L76-Y78 HydrophobicContact CD2-CE2 3.47Å; L76-Y78 VanDerWaalsContact CD2-CE2 3.47Å; Y78-R82 WeakPolarHBondContact CD1-O 3.08Å; Y78-P84 HydrophobicContact CD1-CB 4.47Å; Y78-P84 HydrophobicContact CE1-CB 4.16Å |
| 79 | K | 89.5 | Confident | 88.3 | Confident | 47 Ų | 47 | 49.9 Ų | 49.9 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | trans | -75.7 | 171.1 | 175.6 | -62.5 | -166.1 | -172.6 | -146 | 0 | 111.5 | L30 T31 N81 R82 L83 F85 | L30-K79 WeakPolarHBondContact O-CD 3.04Å; L30-K79 WeakPolarHBondContact O-CE 3.47Å; L30-K79 PolarHBondContact O-NZ 3.17Å; T31-K79 WeakPolarHBondContact O-CA 3.46Å; K79-N81 VanDerWaalsContact CB-OD1 3.28Å; K79-N81 WeakPolarHBondContact CB-OD1 3.45Å; K79-N81 PolarHBondContact O-N 2.94Å; K79-N81 VanDerWaalsContact O-N 3.1Å; K79-R82 WeakPolarHBondContact O-CA 3.47Å; K79-R82 PolarHBondContact O-N 3.07Å; K79-L83 PolarHBondContact N-O 3.06Å; K79-F85 HydrophobicContact CB-CE1 4.34Å; K79-F85 HydrophobicContact CD-CD1 4.21Å; K79-F85 HydrophobicContact CD-CE1 4.28Å; K79-F85 HydrophobicContact CD-CG 4.39Å; K79-F85 HydrophobicContact CD-CZ 4.43Å; K79-F85 HydrophobicContact CG-CD1 3.44Å; K79-F85 VanDerWaalsContact CG-CD1 3.44Å; K79-F85 HydrophobicContact CG-CE1 3.29Å; K79-F85 HydrophobicContact CG-CE2 4.32Å; K79-F85 HydrophobicContact CG-CG 4.1Å; K79-F85 HydrophobicContact CG-CZ 3.77Å | ||
| 80 | K | 89.4 | Confident | 88.4 | Confident | 98 Ų | 98 | 47.3 Ų | 47.3 | 43% | 0.426 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.3 | 175.1 | -164.6 | 171.4 | -173.2 | 174.6 | 0 | 113.5 | T31 G32 Y33 E37 R82 | T31-K80 PolarHBondContact O-N 2.78Å; G32-K80 WeakPolarHBondContact O-CD 3.49Å; Y33-K80 HydrophobicContact CD1-CD 4Å; Y33-K80 HydrophobicContact CD1-CG 4.21Å; Y33-K80 HydrophobicContact CD2-CB 3.71Å; Y33-K80 HydrophobicContact CD2-CD 4.44Å; Y33-K80 HydrophobicContact CD2-CG 4.25Å; Y33-K80 HydrophobicContact CE1-CB 4.42Å; Y33-K80 HydrophobicContact CE1-CD 4.24Å; Y33-K80 HydrophobicContact CE1-CG 4Å; Y33-K80 VanDerWaalsContact CE2-CA 3.48Å; Y33-K80 HydrophobicContact CE2-CB 3.55Å; Y33-K80 HydrophobicContact CE2-CG 4.05Å; Y33-K80 HydrophobicContact CG-CB 4.25Å; Y33-K80 HydrophobicContact CG-CD 4.12Å; Y33-K80 HydrophobicContact CG-CG 4.36Å; E37-K80 VanDerWaalsContact OE1-CE 3.32Å; E37-K80 WeakPolarHBondContact OE1-CE 3.47Å; E37-K80 IonicContact OE1-NZ 3.6Å; E37-K80 PolarHBondContact OE1-NZ 3.38Å; E37-K80 IonicContact OE2-NZ 3.77Å; E37-K80 PolarHBondContact OE2-NZ 2.73Å; K80-R82 VanDerWaalsContact C-N 3.33Å |
| 81 | N | 87.4 | Confident | 88.5 | Confident | 106 Ų | 106 | 44.2 Ų | 44.2 | 57% | 0.567 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 19.5 | 173.6 | 71 | -20.8 | 0 | 0 | 0 | 114 | K79 L83 | K79-N81 VanDerWaalsContact CB-OD1 3.28Å; K79-N81 WeakPolarHBondContact CB-OD1 3.45Å; K79-N81 PolarHBondContact O-N 2.94Å; K79-N81 VanDerWaalsContact O-N 3.1Å; N81-L83 WeakPolarHBondContact ND2-CD1 3.5Å; N81-L83 PolarHBondContact O-N 3.43Å; N81-L83 VanDerWaalsContact O-N 3.09Å |
| 82 | R | 83 | Confident | 88.6 | Confident | 207 Ų | 207 | 42.5 Ų | 42.5 | 78% | 0.781 | 20% | 0.197 | S | C | * | . | trans | 57.4 | 14.9 | 179.6 | -59.8 | -171.7 | 178.8 | -129.5 | 2.2 | 116.8 | Y78 K79 K80 | Y78-R82 WeakPolarHBondContact CD1-O 3.08Å; K79-R82 WeakPolarHBondContact O-CA 3.47Å; K79-R82 PolarHBondContact O-N 3.07Å; K80-R82 VanDerWaalsContact C-N 3.33Å | ||
| 83 | L | 85.4 | Confident | 88.7 | Confident | 99 Ų | 99 | 40.8 Ų | 40.8 | 52% | 0.518 | 19% | 0.191 | S | C | . | . | trans | -69.4 | 127.3 | 168.9 | -68 | 178.7 | 0 | 0 | 0 | 110.4 | K79 N81 | K79-L83 PolarHBondContact N-O 3.06Å; N81-L83 WeakPolarHBondContact ND2-CD1 3.5Å; N81-L83 PolarHBondContact O-N 3.43Å; N81-L83 VanDerWaalsContact O-N 3.09Å | ||
| 84 | P | 86.9 | Confident | 88.6 | Confident | 52 Ų | 52 | 41.1 Ų | 41.1 | 34% | 0.338 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 142.4 | 171.5 | 31 | -34.1 | 0 | 0 | 0 | 110.5 | L76 F77 Y78 | L76-P84 HydrophobicContact CD1-CB 4.42Å; L76-P84 HydrophobicContact CD2-CB 3.87Å; L76-P84 HydrophobicContact CG-CB 4.33Å; F77-P84 CarbonylContact O-C 3.55Å; F77-P84 WeakPolarHBondContact O-CA 3.43Å; Y78-P84 HydrophobicContact CD1-CB 4.47Å; Y78-P84 HydrophobicContact CE1-CB 4.16Å |
| 85 | F | 88.2 | Confident | 88.3 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 146.9 | 178.7 | 71.8 | -60.1 | 0 | 0 | 0 | 110.2 | L30 F77 K79 L87 T112 | L30-F85 HydrophobicContact CD1-CD2 4.43Å; L30-F85 HydrophobicContact CD1-CE2 3.9Å; L30-F85 HydrophobicContact CG-CE2 3.99Å; F77-F85 HydrophobicContact CB-CD1 4.29Å; F77-F85 HydrophobicContact CB-CE1 3.77Å; F77-F85 HydrophobicContact CB-CZ 4.29Å; F77-F85 PolarHBondContact N-O 3.25Å; F77-F85 WeakPolarHBondContact O-CD1 3.49Å; F77-F85 PolarHBondContact O-N 2.96Å; K79-F85 HydrophobicContact CB-CE1 4.34Å; K79-F85 HydrophobicContact CD-CD1 4.21Å; K79-F85 HydrophobicContact CD-CE1 4.28Å; K79-F85 HydrophobicContact CD-CG 4.39Å; K79-F85 HydrophobicContact CD-CZ 4.43Å; K79-F85 HydrophobicContact CG-CD1 3.44Å; K79-F85 VanDerWaalsContact CG-CD1 3.44Å; K79-F85 HydrophobicContact CG-CE1 3.29Å; K79-F85 HydrophobicContact CG-CE2 4.32Å; K79-F85 HydrophobicContact CG-CG 4.1Å; K79-F85 HydrophobicContact CG-CZ 3.77Å; F85-L87 HydrophobicContact CD2-CD2 3.83Å; F85-L87 HydrophobicContact CD2-CG 4.02Å; F85-L87 HydrophobicContact CE2-CD1 3.69Å; F85-L87 HydrophobicContact CE2-CD2 3.57Å; F85-L87 HydrophobicContact CE2-CG 3.68Å; F85-L87 HydrophobicContact CZ-CD1 3.85Å; F85-L87 HydrophobicContact CZ-CG 4.23Å; F85-T112 WeakPolarHBondContact CB-OG1 3.49Å |
| 86 | W | 88.5 | Confident | 88 | Confident | 42 Ų | 42 | 42.8 Ų | 42.8 | 16% | 0.159 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.9 | -179.9 | -70.7 | 80.6 | 0 | 0 | 0 | 111 | M57 M75 L76 I111 T112 K115 T116 | M57-W86 HydrophobicContact CE-CZ3 4.27Å; M57-W86 HydrophobicContact SD-CZ3 4.44Å; M75-W86 WeakPolarHBondContact O-CA 3.28Å; L76-W86 HydrophobicContact CB-CD2 4.12Å; L76-W86 HydrophobicContact CB-CE3 4.34Å; L76-W86 HydrophobicContact CB-CZ2 4.32Å; L76-W86 HydrophobicContact CD1-CZ2 4.21Å; W86-I111 HydrophobicContact CB-CD1 4.31Å; W86-I111 HydrophobicContact CB-CG1 3.69Å; W86-I111 WeakPolarHBondContact O-CG1 3.44Å; W86-I111 PolarHBondContact O-N 3.02Å; W86-T112 PolarHBondContact N-OG1 2.72Å; W86-T112 PolarHBondContact O-N 3.17Å; W86-T112 PolarHBondContact O-OG1 2.81Å; W86-K115 HydrophobicContact CB-CB 4.26Å; W86-K115 HydrophobicContact CB-CG 4.2Å; W86-K115 HydrophobicContact CD2-CB 3.81Å; W86-K115 HydrophobicContact CD2-CD 4.16Å; W86-K115 HydrophobicContact CD2-CG 3.73Å; W86-K115 HydrophobicContact CE3-CD 4.08Å; W86-K115 HydrophobicContact CE3-CG 3.99Å; W86-K115 HydrophobicContact CG-CB 3.66Å; W86-K115 HydrophobicContact CG-CG 3.86Å; W86-K115 HydrophobicContact CH2-CD 4.45Å; W86-K115 HydrophobicContact CZ3-CD 4.23Å; W86-T116 VanDerWaalsContact CD1-CG2 3.41Å |
| 87 | L | 88.6 | Confident | 87.2 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138 | 171.8 | -63.3 | -178.9 | 0 | 0 | 0 | 110.6 | L30 E74 M75 F77 F85 F108 R109 D110 | L30-L87 HydrophobicContact CD1-CD2 4.25Å; L30-L87 HydrophobicContact CD2-CD1 4.37Å; L30-L87 HydrophobicContact CD2-CD2 3.92Å; L30-L87 HydrophobicContact CG-CD2 4.41Å; E74-L87 CarbonylContact C-O 3.59Å; E74-L87 WeakPolarHBondContact CA-O 3.5Å; M75-L87 PolarHBondContact N-O 2.96Å; M75-L87 PolarHBondContact O-N 3.44Å; F77-L87 HydrophobicContact CD2-CB 3.94Å; F77-L87 HydrophobicContact CD2-CD1 3.71Å; F77-L87 HydrophobicContact CD2-CG 4.03Å; F77-L87 HydrophobicContact CE2-CB 4.23Å; F77-L87 HydrophobicContact CE2-CD1 4.23Å; F85-L87 HydrophobicContact CD2-CD2 3.83Å; F85-L87 HydrophobicContact CD2-CG 4.02Å; F85-L87 HydrophobicContact CE2-CD1 3.69Å; F85-L87 HydrophobicContact CE2-CD2 3.57Å; F85-L87 HydrophobicContact CE2-CG 3.68Å; F85-L87 HydrophobicContact CZ-CD1 3.85Å; F85-L87 HydrophobicContact CZ-CG 4.23Å; L87-F108 HydrophobicContact CD1-CB 4.23Å; L87-F108 HydrophobicContact CD1-CD1 3.81Å; L87-F108 HydrophobicContact CD1-CG 4.41Å; L87-R109 CarbonylContact C-O 3.57Å; L87-R109 VanDerWaalsContact CA-O 3.31Å; L87-R109 WeakPolarHBondContact CA-O 3.1Å; L87-D110 HydrophobicContact CD2-CB 4.32Å |
| 88 | L | 87.2 | Confident | 86.7 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 16% | 0.162 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 119.5 | 153.7 | -178.6 | 66.4 | 0 | 0 | 0 | 107.4 | Q72 E74 F108 R109 I111 | Q72-L88 HydrophobicContact CB-CD1 4.3Å; E74-L88 HydrophobicContact CG-CD1 3.92Å; L88-F108 WeakPolarHBondContact O-CA 3.45Å; L88-R109 HydrophobicContact CB-CB 4.42Å; L88-R109 PolarHBondContact N-O 2.79Å; L88-R109 PolarHBondContact O-N 3.3Å; L88-I111 HydrophobicContact CB-CD1 4.27Å; L88-I111 HydrophobicContact CB-CG2 4.04Å |
| 89 | V | 89.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 122 | 171.4 | -171.2 | 0 | 0 | 0 | 0 | 108.1 | L61 Q72 I73 M75 F77 V91 L106 A107 F108 | L61-V89 HydrophobicContact CD1-CG1 4.25Å; Q72-V89 WeakPolarHBondContact CA-O 3.29Å; I73-V89 PolarHBondContact N-O 3.36Å; I73-V89 PolarHBondContact O-N 3.39Å; M75-V89 HydrophobicContact CB-CG2 4.48Å; M75-V89 HydrophobicContact CG-CG2 4.3Å; M75-V89 HydrophobicContact SD-CG2 4.27Å; F77-V89 HydrophobicContact CE2-CG2 3.65Å; F77-V89 HydrophobicContact CZ-CG2 4.13Å; V89-V91 HydrophobicContact CG1-CG2 4.33Å; V89-L106 HydrophobicContact CG1-CD2 4.15Å; V89-A107 CarbonylContact C-O 3.47Å; V89-A107 WeakPolarHBondContact CA-O 3.5Å; V89-F108 HydrophobicContact CB-CE1 4.48Å; V89-F108 HydrophobicContact CG1-CD1 4.38Å; V89-F108 HydrophobicContact CG1-CE1 3.93Å; V89-F108 HydrophobicContact CG1-CZ 4.36Å; V89-F108 HydrophobicContact CG2-CD1 3.95Å; V89-F108 HydrophobicContact CG2-CE1 3.88Å |
| 90 | C | 89.3 | Confident | 86 | Confident | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.054 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 114.9 | 170 | -54.7 | 0 | 0 | 0 | 0 | 108.3 | Q72 L106 A107 W240 | Q72-C90 HydrophobicContact CG-CB 4.41Å; C90-L106 WeakPolarHBondContact O-CA 3.28Å; C90-A107 HydrophobicContact CB-CB 4.38Å; C90-A107 PolarHBondContact N-O 2.98Å; C90-A107 PolarHBondContact O-N 2.7Å; C90-W240 HydrophobicContact CB-CD2 4.32Å; C90-W240 HydrophobicContact CB-CE3 3.72Å; C90-W240 HydrophobicContact CB-CH2 3.75Å; C90-W240 HydrophobicContact CB-CZ2 4.33Å; C90-W240 HydrophobicContact CB-CZ3 3.4Å; C90-W240 WeakPolarHBondContact O-CH2 3.43Å |
| 91 | V | 89.9 | Confident | 86 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 134.8 | 176.3 | -170.7 | 0 | 0 | 0 | 0 | 108.4 | L61 A64 L65 P70 D71 V89 F104 L106 | L61-V91 HydrophobicContact CD1-CG2 3.59Å; A64-V91 HydrophobicContact CB-CG1 4.48Å; A64-V91 HydrophobicContact CB-CG2 4.34Å; L65-V91 HydrophobicContact CD2-CG1 3.92Å; P70-V91 VanDerWaalsContact CA-O 3.26Å; P70-V91 WeakPolarHBondContact CA-O 3.26Å; D71-V91 PolarHBondContact N-O 2.79Å; D71-V91 PolarHBondContact O-N 2.87Å; V89-V91 HydrophobicContact CG1-CG2 4.33Å; V91-F104 HydrophobicContact CG1-CD1 4.39Å; V91-L106 HydrophobicContact CB-CD2 4.28Å; V91-L106 HydrophobicContact CG1-CD2 4.14Å; V91-L106 HydrophobicContact CG2-CD2 3.88Å |
| 92 | A | 89 | Confident | 86.1 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 131.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F104 L105 W240 I244 | A92-F104 WeakPolarHBondContact O-CA 3.32Å; A92-L105 PolarHBondContact N-O 3.48Å; A92-L105 PolarHBondContact O-N 3.41Å; A92-W240 HydrophobicContact CB-CH2 3.78Å; A92-W240 HydrophobicContact CB-CZ3 3.73Å; A92-I244 HydrophobicContact CB-CD1 3.2Å |
| 93 | P | 90.4 | Very high | 86.5 | Confident | 24 Ų | 24 | 38 Ų | 38 | 16% | 0.156 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 129.4 | 171.8 | 32.2 | -35.6 | 0 | 0 | 0 | 111.1 | Q68 V101 F104 | Q68-P93 WeakPolarHBondContact O-CG 3.47Å; P93-V101 HydrophobicContact CB-CB 4.35Å; P93-V101 HydrophobicContact CB-CG1 3.59Å; P93-V101 HydrophobicContact CB-CG2 3.72Å; P93-F104 HydrophobicContact CB-CD1 4.4Å; P93-F104 HydrophobicContact CB-CE1 4.17Å |
| 94 | V | 86.7 | Confident | 86.8 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.1 | 173.9 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | V102 L103 L105 I244 P245 | V94-V102 WeakPolarHBondContact O-CG2 3.29Å; V94-V102 PolarHBondContact O-N 3.47Å; V94-L103 HydrophobicContact CB-CB 4.11Å; V94-L103 WeakPolarHBondContact CB-O 3.35Å; V94-L103 HydrophobicContact CG2-CB 4.41Å; V94-L103 PolarHBondContact N-O 2.65Å; V94-L105 HydrophobicContact CG2-CB 4Å; V94-I244 HydrophobicContact CG2-CG2 4.04Å; V94-P245 WeakPolarHBondContact CG1-O 3.4Å |
| 95 | R | 84.4 | Confident | 87 | Confident | 93 Ų | 93 | 31.8 Ų | 31.8 | 35% | 0.351 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 151.1 | -178.2 | -67.1 | 179.9 | -171.5 | -79.8 | -8.3 | 113 | E99 E100 V101 Y247 | R95-E99 WeakPolarHBondContact CD-O 3.42Å; R95-E99 WeakPolarHBondContact CD-OE2 3.37Å; R95-E99 PolarHBondContact NH1-O 2.9Å; R95-E100 CarbonylContact C-O 3.59Å; R95-E100 VanDerWaalsContact CA-O 3.23Å; R95-E100 WeakPolarHBondContact CA-O 3.26Å; R95-V101 HydrophobicContact CG-CG2 4.07Å; R95-Y247 PolarHBondContact O-N 3.17Å |
| 96 | N | 81.9 | Confident | 87.1 | Confident | 19 Ų | 19 | 31.5 Ų | 31.5 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -93.7 | -173.3 | 173.6 | 71.1 | 8.2 | 0 | 0 | 0 | 112.6 | C98 E99 E100 V102 Y247 K248 | N96-C98 PolarHBondContact O-N 2.79Å; N96-C98 WeakPolarHBondContact OD1-CA 3.41Å; N96-C98 WeakPolarHBondContact OD1-CB 3.23Å; N96-C98 PolarHBondContact OD1-N 2.82Å; N96-E99 PolarHBondContact O-N 3.08Å; N96-E99 PolarHBondContact OD1-N 2.83Å; N96-E100 PolarHBondContact N-O 3.06Å; N96-E100 PolarHBondContact ND2-OE2 2.85Å; N96-E100 PolarHBondContact OD1-N 2.87Å; N96-E100 PolarHBondContact OD1-O 2.83Å; N96-V102 HydrophobicContact CB-CG1 3.78Å; N96-V102 HydrophobicContact CB-CG2 4.27Å; N96-V102 WeakPolarHBondContact ND2-CG1 3.45Å; N96-Y247 WeakPolarHBondContact CA-O 3.47Å; N96-K248 WeakPolarHBondContact O-CE 3.44Å |
| 97 | E | 74.6 | Confident | 87.2 | Confident | 84 Ų | 84 | 29.6 Ų | 29.6 | 39% | 0.393 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -21.5 | 177.6 | -68.2 | 166.7 | -164.5 | 0 | 0 | 114 | K248 Q249 | E97-K248 HydrophobicContact CG-CB 3.66Å; E97-K248 HydrophobicContact CG-CD 4.16Å; E97-K248 HydrophobicContact CG-CG 3.67Å; E97-K248 WeakPolarHBondContact OE1-CA 3.44Å; E97-Q249 PolarHBondContact OE1-N 2.89Å |
| 98 | C | 81 | Confident | 87.2 | Confident | 83 Ų | 83 | 29.7 Ų | 29.7 | 56% | 0.561 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 11 | 176 | -56.8 | 0 | 0 | 0 | 0 | 112.8 | N96 E100 | N96-C98 PolarHBondContact O-N 2.79Å; N96-C98 WeakPolarHBondContact OD1-CA 3.41Å; N96-C98 WeakPolarHBondContact OD1-CB 3.23Å; N96-C98 PolarHBondContact OD1-N 2.82Å; C98-E100 HydrophobicContact CB-CG 4.02Å; C98-E100 PolarHBondContact O-N 2.9Å; C98-E100 VanDerWaalsContact O-N 3.15Å |
| 99 | E | 80.9 | Confident | 87 | Confident | 89 Ų | 89 | 31.9 Ų | 31.9 | 42% | 0.416 | 16% | 0.158 | S | C | . | . | S | Bend | trans | 59.1 | 12.7 | -172.6 | -63 | -58.7 | 146 | 0 | 0 | 115.7 | R95 N96 K248 | R95-E99 WeakPolarHBondContact CD-O 3.42Å; R95-E99 WeakPolarHBondContact CD-OE2 3.37Å; R95-E99 PolarHBondContact NH1-O 2.9Å; N96-E99 PolarHBondContact O-N 3.08Å; N96-E99 PolarHBondContact OD1-N 2.83Å; E99-K248 IonicContact OE1-NZ 3.66Å; E99-K248 PolarHBondContact OE1-NZ 2.88Å |
| 100 | E | 84.9 | Confident | 86.8 | Confident | 96 Ų | 96 | 34.9 Ų | 34.9 | 45% | 0.449 | 17% | 0.174 | S | C | . | . | trans | -77.4 | 142.6 | 172.9 | -50.5 | 171.8 | 130.8 | 0 | 0 | 110.7 | R14 R95 N96 C98 V102 | R14-E100 IonicContact CZ-OE2 3.34Å; R14-E100 IonicContact NH2-OE2 2.68Å; R14-E100 PolarHBondContact NH2-OE2 2.81Å; R95-E100 CarbonylContact C-O 3.59Å; R95-E100 VanDerWaalsContact CA-O 3.23Å; R95-E100 WeakPolarHBondContact CA-O 3.26Å; N96-E100 PolarHBondContact N-O 3.06Å; N96-E100 PolarHBondContact ND2-OE2 2.85Å; N96-E100 PolarHBondContact OD1-N 2.87Å; N96-E100 PolarHBondContact OD1-O 2.83Å; C98-E100 HydrophobicContact CB-CG 4.02Å; C98-E100 PolarHBondContact O-N 2.9Å; C98-E100 VanDerWaalsContact O-N 3.15Å; E100-V102 PolarHBondContact O-N 2.85Å | ||
| 101 | V | 87.8 | Confident | 86.5 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 6% | 0.055 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 122.3 | 173 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | A13 Q68 P93 R95 F104 | A13-V101 HydrophobicContact CB-CG1 3.78Å; Q68-V101 HydrophobicContact CB-CG2 4.23Å; Q68-V101 VanDerWaalsContact OE1-CG2 3.25Å; P93-V101 HydrophobicContact CB-CB 4.35Å; P93-V101 HydrophobicContact CB-CG1 3.59Å; P93-V101 HydrophobicContact CB-CG2 3.72Å; R95-V101 HydrophobicContact CG-CG2 4.07Å; V101-F104 HydrophobicContact CG1-CE1 4.3Å; V101-F104 HydrophobicContact CG1-CZ 4.41Å |
| 102 | V | 89.3 | Confident | 86.1 | Confident | 18 Ų | 18 | 36.3 Ų | 36.3 | 11% | 0.109 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -30.7 | -179.3 | -69.5 | 0 | 0 | 0 | 0 | 113 | N12 A13 V94 N96 E100 Y247 | N12-V102 PolarHBondContact OD1-O 3.25Å; A13-V102 PolarHBondContact N-O 3.07Å; V94-V102 WeakPolarHBondContact O-CG2 3.29Å; V94-V102 PolarHBondContact O-N 3.47Å; N96-V102 HydrophobicContact CB-CG1 3.78Å; N96-V102 HydrophobicContact CB-CG2 4.27Å; N96-V102 WeakPolarHBondContact ND2-CG1 3.45Å; E100-V102 PolarHBondContact O-N 2.85Å; V102-Y247 HydrophobicContact CG2-CD1 4.13Å; V102-Y247 HydrophobicContact CG2-CG 4.09Å |
| 103 | L | 92.1 | Very high | 85.3 | Confident | 28 Ų | 28 | 37.8 Ų | 37.8 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 153.2 | -176.8 | -69.1 | 158 | 0 | 0 | 0 | 109.4 | A11 V21 V94 Y247 | A11-L103 CarbonylContact O-C 3.54Å; A11-L103 VanDerWaalsContact O-CA 3.26Å; A11-L103 WeakPolarHBondContact O-CA 3.44Å; V21-L103 HydrophobicContact CG2-CD2 3.86Å; V94-L103 HydrophobicContact CB-CB 4.11Å; V94-L103 WeakPolarHBondContact CB-O 3.35Å; V94-L103 HydrophobicContact CG2-CB 4.41Å; V94-L103 PolarHBondContact N-O 2.65Å; L103-Y247 HydrophobicContact CD1-CD2 3.86Å; L103-Y247 HydrophobicContact CD1-CE2 4.11Å; L103-Y247 HydrophobicContact CD1-CG 4.43Å |
| 104 | F | 92 | Very high | 84.4 | Confident | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 129.5 | 162.4 | -70 | -72.2 | 0 | 0 | 0 | 109.7 | L10 A11 A13 Y18 L65 Q68 V91 A92 P93 V101 | L10-F104 WeakPolarHBondContact CA-O 3.4Å; A11-F104 HydrophobicContact CB-CB 4.33Å; A11-F104 PolarHBondContact N-O 2.93Å; A11-F104 PolarHBondContact O-N 2.97Å; A13-F104 HydrophobicContact CB-CD2 3.69Å; A13-F104 HydrophobicContact CB-CE2 3.47Å; A13-F104 VanDerWaalsContact CB-CE2 3.47Å; A13-F104 HydrophobicContact CB-CZ 4.13Å; Y18-F104 HydrophobicContact CD1-CD2 4.23Å; Y18-F104 AromaticContact CD1-CE2 3.79Å; Y18-F104 HydrophobicContact CD1-CE2 3.79Å; Y18-F104 AromaticContact CE1-CE2 3.92Å; Y18-F104 HydrophobicContact CE1-CE2 3.92Å; Y18-F104 HydrophobicContact CG-CE2 4.43Å; L65-F104 HydrophobicContact CB-CE2 4.46Å; L65-F104 HydrophobicContact CB-CZ 4.42Å; L65-F104 HydrophobicContact CD2-CB 4.08Å; L65-F104 HydrophobicContact CD2-CD1 3.81Å; L65-F104 HydrophobicContact CD2-CD2 3.7Å; L65-F104 HydrophobicContact CD2-CE1 4.14Å; L65-F104 HydrophobicContact CD2-CE2 4.02Å; L65-F104 HydrophobicContact CD2-CG 3.59Å; L65-F104 HydrophobicContact CD2-CZ 4.24Å; L65-F104 WeakPolarHBondContact O-CZ 3.48Å; Q68-F104 HydrophobicContact CG-CZ 4.24Å; V91-F104 HydrophobicContact CG1-CD1 4.39Å; A92-F104 WeakPolarHBondContact O-CA 3.32Å; P93-F104 HydrophobicContact CB-CD1 4.4Å; P93-F104 HydrophobicContact CB-CE1 4.17Å; V101-F104 HydrophobicContact CG1-CE1 4.3Å; V101-F104 HydrophobicContact CG1-CZ 4.41Å |
| 105 | L | 91.4 | Very high | 83.5 | Confident | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 118.8 | 165 | 179.4 | 63.7 | 0 | 0 | 0 | 108.4 | F8 L10 A92 V94 W240 I244 | F8-L105 HydrophobicContact CB-CD1 4.13Å; F8-L105 HydrophobicContact CD2-CD1 3.62Å; F8-L105 HydrophobicContact CE2-CD1 4.35Å; F8-L105 HydrophobicContact CG-CD1 4.13Å; L10-L105 HydrophobicContact CD2-CB 4.21Å; L10-L105 HydrophobicContact CD2-CD1 3.81Å; L10-L105 HydrophobicContact CG-CD1 4.5Å; A92-L105 PolarHBondContact N-O 3.48Å; A92-L105 PolarHBondContact O-N 3.41Å; V94-L105 HydrophobicContact CG2-CB 4Å; L105-W240 HydrophobicContact CD2-CH2 4.29Å; L105-W240 HydrophobicContact CD2-CZ2 3.78Å; L105-W240 HydrophobicContact CG-CH2 4.31Å; L105-W240 HydrophobicContact CG-CZ2 4.03Å; L105-I244 HydrophobicContact CD2-CD1 4.09Å; L105-I244 HydrophobicContact CD2-CG1 3.97Å; L105-I244 HydrophobicContact CD2-CG2 4.07Å |
| 106 | L | 90.8 | Very high | 82.1 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 110 | 176.5 | -69.8 | 160.3 | 0 | 0 | 0 | 107.9 | F8 V9 A11 G43 L61 V89 C90 V91 F108 | F8-L106 CarbonylContact C-O 3.6Å; F8-L106 VanDerWaalsContact CA-O 3.24Å; F8-L106 WeakPolarHBondContact CA-O 3.22Å; F8-L106 WeakPolarHBondContact CB-O 3.48Å; V9-L106 HydrophobicContact CB-CB 4.31Å; V9-L106 PolarHBondContact N-O 3.04Å; V9-L106 PolarHBondContact O-N 3.39Å; A11-L106 HydrophobicContact CB-CD1 4.34Å; G43-L106 VanDerWaalsContact O-CD1 3.28Å; G43-L106 WeakPolarHBondContact O-CD1 3.22Å; L61-L106 HydrophobicContact CD1-CD2 4.41Å; V89-L106 HydrophobicContact CG1-CD2 4.15Å; C90-L106 WeakPolarHBondContact O-CA 3.28Å; V91-L106 HydrophobicContact CB-CD2 4.28Å; V91-L106 HydrophobicContact CG1-CD2 4.14Å; V91-L106 HydrophobicContact CG2-CD2 3.88Å; L106-F108 HydrophobicContact CB-CE2 3.63Å; L106-F108 HydrophobicContact CB-CZ 3.89Å; L106-F108 WeakPolarHBondContact O-CD2 3.42Å; L106-F108 WeakPolarHBondContact O-CE2 3.2Å |
| 107 | A | 88.9 | Confident | 80.2 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 144.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y6 S7 F8 V89 C90 W240 | Y6-A107 HydrophobicContact CD1-CB 4.27Å; S7-A107 WeakPolarHBondContact O-CA 3.33Å; F8-A107 HydrophobicContact CB-CB 4.49Å; V89-A107 CarbonylContact C-O 3.47Å; V89-A107 WeakPolarHBondContact CA-O 3.5Å; C90-A107 HydrophobicContact CB-CB 4.38Å; C90-A107 PolarHBondContact N-O 2.98Å; C90-A107 PolarHBondContact O-N 2.7Å; A107-W240 HydrophobicContact CB-CH2 4.04Å; A107-W240 HydrophobicContact CB-CZ2 3.35Å |
| 108 | F | 88.6 | Confident | 78.6 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 2% | 0.022 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.8 | -172.1 | -60.6 | -92.6 | 0 | 0 | 0 | 110.2 | S7 V9 F27 L30 L87 L88 V89 L106 | S7-F108 PolarHBondContact O-N 2.79Å; V9-F108 HydrophobicContact CB-CE2 4.06Å; V9-F108 HydrophobicContact CG2-CD2 4.33Å; V9-F108 HydrophobicContact CG2-CE2 3.7Å; F27-F108 HydrophobicContact CD2-CB 4.3Å; F27-F108 AromaticContact CD2-CD2 3.52Å; F27-F108 HydrophobicContact CD2-CD2 3.52Å; F27-F108 AromaticContact CD2-CE2 3.97Å; F27-F108 HydrophobicContact CD2-CE2 3.97Å; F27-F108 AromaticContact CD2-CG 3.94Å; F27-F108 HydrophobicContact CD2-CG 3.94Å; F27-F108 HydrophobicContact CE2-CB 4.36Å; F27-F108 AromaticContact CE2-CD1 3.98Å; F27-F108 HydrophobicContact CE2-CD1 3.98Å; F27-F108 AromaticContact CE2-CD2 3.36Å; F27-F108 HydrophobicContact CE2-CD2 3.36Å; F27-F108 HydrophobicContact CE2-CE1 4.07Å; F27-F108 AromaticContact CE2-CE2 3.47Å; F27-F108 HydrophobicContact CE2-CE2 3.47Å; F27-F108 VanDerWaalsContact CE2-CE2 3.47Å; F27-F108 AromaticContact CE2-CG 3.63Å; F27-F108 HydrophobicContact CE2-CG 3.63Å; F27-F108 AromaticContact CE2-CZ 3.83Å; F27-F108 HydrophobicContact CE2-CZ 3.83Å; F27-F108 HydrophobicContact CZ-CD2 4.42Å; F27-F108 HydrophobicContact CZ-CE2 4.13Å; F27-F108 HydrophobicContact CZ-CZ 4.26Å; L30-F108 HydrophobicContact CD2-CB 4.08Å; L87-F108 HydrophobicContact CD1-CB 4.23Å; L87-F108 HydrophobicContact CD1-CD1 3.81Å; L87-F108 HydrophobicContact CD1-CG 4.41Å; L88-F108 WeakPolarHBondContact O-CA 3.45Å; V89-F108 HydrophobicContact CB-CE1 4.48Å; V89-F108 HydrophobicContact CG1-CD1 4.38Å; V89-F108 HydrophobicContact CG1-CE1 3.93Å; V89-F108 HydrophobicContact CG1-CZ 4.36Å; V89-F108 HydrophobicContact CG2-CD1 3.95Å; V89-F108 HydrophobicContact CG2-CE1 3.88Å; L106-F108 HydrophobicContact CB-CE2 3.63Å; L106-F108 HydrophobicContact CB-CZ 3.89Å; L106-F108 WeakPolarHBondContact O-CD2 3.42Å; L106-F108 WeakPolarHBondContact O-CE2 3.2Å |
| 109 | R | 84.4 | Confident | 76.4 | Confident | 77 Ų | 77 | 51 Ų | 51 | 29% | 0.291 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 128.7 | 178.3 | 178.7 | -178.5 | 176.9 | -145.7 | 1 | 110.7 | L87 L88 I111 N140 | L87-R109 CarbonylContact C-O 3.57Å; L87-R109 VanDerWaalsContact CA-O 3.31Å; L87-R109 WeakPolarHBondContact CA-O 3.1Å; L88-R109 HydrophobicContact CB-CB 4.42Å; L88-R109 PolarHBondContact N-O 2.79Å; L88-R109 PolarHBondContact O-N 3.3Å; R109-I111 PolarHBondContact O-N 2.99Å; R109-N140 PolarHBondContact NE-OD1 2.91Å; R109-N140 PolarHBondContact NH2-OD1 3.45Å |
| 110 | D | 84.4 | Confident | 74.3 | Confident | 63 Ų | 63 | 54 Ų | 54 | 34% | 0.337 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 118.5 | 176.7 | -160.5 | -36.4 | 0 | 0 | 0 | 111.1 | L30 L87 T112 | L30-D110 HydrophobicContact CD1-CB 4.23Å; L87-D110 HydrophobicContact CD2-CB 4.32Å; D110-T112 VanDerWaalsContact OD1-CB 3.24Å; D110-T112 WeakPolarHBondContact OD1-CB 3.34Å; D110-T112 PolarHBondContact OD1-N 3.01Å; D110-T112 PolarHBondContact OD1-OG1 3.01Å |
| 111 | I | 84.1 | Confident | 71.8 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.036 | 31% | 0.306 | C | S | . | . | trans | -120.4 | 12.2 | 178.3 | 62.7 | 168.8 | 0 | 0 | 0 | 111.7 | E74 W86 L88 R109 A113 L114 K115 | E74-I111 HydrophobicContact CB-CD1 4.01Å; E74-I111 HydrophobicContact CG-CD1 3.78Å; E74-I111 WeakPolarHBondContact OE1-CD1 3.4Å; W86-I111 HydrophobicContact CB-CD1 4.31Å; W86-I111 HydrophobicContact CB-CG1 3.69Å; W86-I111 WeakPolarHBondContact O-CG1 3.44Å; W86-I111 PolarHBondContact O-N 3.02Å; L88-I111 HydrophobicContact CB-CD1 4.27Å; L88-I111 HydrophobicContact CB-CG2 4.04Å; R109-I111 PolarHBondContact O-N 2.99Å; I111-A113 VanDerWaalsContact C-N 3.26Å; I111-A113 PolarHBondContact O-N 2.88Å; I111-L114 HydrophobicContact CB-CD1 4.25Å; I111-L114 HydrophobicContact CG2-CD1 4.32Å; I111-L114 WeakPolarHBondContact O-CA 3.4Å; I111-L114 WeakPolarHBondContact O-CB 3.28Å; I111-L114 PolarHBondContact O-N 3.17Å; I111-K115 HydrophobicContact CD1-CG 4.27Å; I111-K115 PolarHBondContact O-N 3Å | ||
| 112 | T | 80.5 | Confident | 69.2 | Low | 32 Ų | 32 | 66.9 Ų | 66.9 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -51.6 | -45.3 | -175.5 | -50.2 | 0 | 0 | 0 | 0 | 112 | F85 W86 D110 L114 K115 T116 | F85-T112 WeakPolarHBondContact CB-OG1 3.49Å; W86-T112 PolarHBondContact N-OG1 2.72Å; W86-T112 PolarHBondContact O-N 3.17Å; W86-T112 PolarHBondContact O-OG1 2.81Å; D110-T112 VanDerWaalsContact OD1-CB 3.24Å; D110-T112 WeakPolarHBondContact OD1-CB 3.34Å; D110-T112 PolarHBondContact OD1-N 3.01Å; D110-T112 PolarHBondContact OD1-OG1 3.01Å; T112-L114 PolarHBondContact O-N 2.79Å; T112-L114 VanDerWaalsContact O-N 3.1Å; T112-K115 PolarHBondContact O-N 2.83Å; T112-K115 VanDerWaalsContact O-N 3.11Å; T112-T116 PolarHBondContact O-N 2.8Å; T112-T116 PolarHBondContact O-OG1 2.93Å |
| 113 | A | 72 | Confident | 66.4 | Low | 35 Ų | 35 | 72.1 Ų | 72.1 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.2 | -12.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | I111 L133 S136 | I111-A113 VanDerWaalsContact C-N 3.26Å; I111-A113 PolarHBondContact O-N 2.88Å; A113-L133 WeakPolarHBondContact O-CD1 3.38Å; A113-S136 WeakPolarHBondContact CB-OG 3.27Å |
| 114 | L | 70.7 | Confident | 63.8 | Low | 111 Ų | 111 | 75.8 Ų | 75.8 | 58% | 0.581 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -96.4 | -18.3 | 176.5 | -59.3 | 173.4 | 0 | 0 | 0 | 112.6 | I111 T112 V137 | I111-L114 HydrophobicContact CB-CD1 4.25Å; I111-L114 HydrophobicContact CG2-CD1 4.32Å; I111-L114 WeakPolarHBondContact O-CA 3.4Å; I111-L114 WeakPolarHBondContact O-CB 3.28Å; I111-L114 PolarHBondContact O-N 3.17Å; T112-L114 PolarHBondContact O-N 2.79Å; T112-L114 VanDerWaalsContact O-N 3.1Å; L114-V137 HydrophobicContact CD2-CG2 4.23Å |
| 115 | K | 68.7 | Low | 61.2 | Low | 75 Ų | 75 | 83.8 Ų | 83.8 | 33% | 0.326 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -105.3 | -27.6 | -171.9 | -79.4 | -77.1 | -177.4 | 179.3 | 0 | 114.8 | E74 W86 I111 T112 P117 | E74-K115 VanDerWaalsContact CD-NZ 3.35Å; E74-K115 WeakPolarHBondContact OE1-CE 3.42Å; E74-K115 IonicContact OE1-NZ 2.61Å; E74-K115 WeakPolarHBondContact OE2-CE 3.49Å; E74-K115 IonicContact OE2-NZ 3.51Å; E74-K115 PolarHBondContact OE2-NZ 2.99Å; W86-K115 HydrophobicContact CB-CB 4.26Å; W86-K115 HydrophobicContact CB-CG 4.2Å; W86-K115 HydrophobicContact CD2-CB 3.81Å; W86-K115 HydrophobicContact CD2-CD 4.16Å; W86-K115 HydrophobicContact CD2-CG 3.73Å; W86-K115 HydrophobicContact CE3-CD 4.08Å; W86-K115 HydrophobicContact CE3-CG 3.99Å; W86-K115 HydrophobicContact CG-CB 3.66Å; W86-K115 HydrophobicContact CG-CG 3.86Å; W86-K115 HydrophobicContact CH2-CD 4.45Å; W86-K115 HydrophobicContact CZ3-CD 4.23Å; I111-K115 HydrophobicContact CD1-CG 4.27Å; I111-K115 PolarHBondContact O-N 3Å; T112-K115 PolarHBondContact O-N 2.83Å; T112-K115 VanDerWaalsContact O-N 3.11Å; K115-P117 WeakPolarHBondContact O-CD 3.33Å |
| 116 | T | 56 | Low | 59 | Low | 38 Ų | 38 | 85.5 Ų | 85.5 | 23% | 0.233 | 46% | 0.457 | C | S | . | . | trans | -123.7 | 97.5 | -163.1 | 60.4 | 0 | 0 | 0 | 0 | 114.3 | W86 T112 F118 | W86-T116 VanDerWaalsContact CD1-CG2 3.41Å; T112-T116 PolarHBondContact O-N 2.8Å; T112-T116 PolarHBondContact O-OG1 2.93Å; T116-F118 VanDerWaalsContact C-N 3.26Å; T116-F118 HydrophobicContact CG2-CD2 3.7Å; T116-F118 HydrophobicContact CG2-CE2 3.34Å; T116-F118 HydrophobicContact CG2-CZ 3.92Å; T116-F118 PolarHBondContact O-N 2.77Å | ||
| 117 | P | 41.3 | Very low | 56.9 | Low | 113 Ų | 113 | 92.6 Ų | 92.6 | 73% | 0.734 | 49% | 0.494 | S | S | * | . | trans | -81 | 77.7 | 150.7 | 34.5 | -28 | 0 | 0 | 0 | 107.9 | K115 | K115-P117 WeakPolarHBondContact O-CD 3.33Š| ||
| 118 | F | 40.4 | Very low | 54.9 | Low | 114 Ų | 114 | 95.6 Ų | 95.6 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | trans | -81.9 | 145.6 | 176.6 | -80.9 | -45.1 | 0 | 0 | 0 | 112.2 | T116 K129 | T116-F118 VanDerWaalsContact C-N 3.26Å; T116-F118 HydrophobicContact CG2-CD2 3.7Å; T116-F118 HydrophobicContact CG2-CE2 3.34Å; T116-F118 HydrophobicContact CG2-CZ 3.92Å; T116-F118 PolarHBondContact O-N 2.77Å; F118-K129 PolarHBondContact O-NZ 3.2Å | ||
| 119 | D | 35.3 | Very low | 52.8 | Low | 140 Ų | 140 | 101 Ų | 101 | 75% | 0.749 | 54% | 0.538 | S | S | * | . | trans | -105.8 | 110.4 | -178.6 | -61.6 | -52.4 | 0 | 0 | 0 | 109.2 | ||||
| 120 | D | 36.1 | Very low | 51 | Low | 151 Ų | 151 | 104.7 Ų | 104.7 | 81% | 0.807 | 56% | 0.557 | S | S | * | * | trans | -111.5 | 137.9 | 153.4 | -60.9 | -66.7 | 0 | 0 | 0 | 105.1 | ||||
| 121 | E | 33.6 | Very low | 49.4 | Very low | 192 Ų | 192 | 103.4 Ų | 103.4 | 90% | 0.897 | 56% | 0.555 | S | S | * | * | trans | -73.1 | 173 | 171.5 | -71.7 | -153.7 | 120.5 | 0 | 0 | 111.6 | ||||
| 122 | E | 32.5 | Very low | 47.8 | Very low | 183 Ų | 183 | 112.6 Ų | 112.6 | 86% | 0.855 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 72.3 | 122.3 | -178.5 | -53.8 | -155.4 | 127.5 | 0 | 0 | 117.9 | ||
| 123 | T | 31.7 | Very low | 45.9 | Very low | 128 Ų | 128 | 114.5 Ų | 114.5 | 79% | 0.785 | 60% | 0.598 | S | S | * | * | trans | 73.2 | 107.2 | 157.3 | 63.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 124 | V | 35.6 | Very low | 44.8 | Very low | 106 Ų | 106 | 115 Ų | 115 | 64% | 0.642 | 60% | 0.602 | S | S | * | * | trans | 82.7 | 96.7 | 136.9 | -175.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 125 | K | 38.7 | Very low | 43.7 | Very low | 168 Ų | 168 | 117.5 Ų | 117.5 | 73% | 0.73 | 60% | 0.604 | S | S | * | * | trans | 65.8 | 110.7 | 143 | -62.3 | 173 | -173.7 | 176.6 | 0 | 117.7 | L127 S128 | K125-L127 PolarHBondContact O-N 2.98Å; K125-S128 PolarHBondContact O-N 2.83Å; K125-S128 PolarHBondContact O-OG 3.18Å | ||
| 126 | G | 45.9 | Very low | 42.6 | Very low | 55 Ų | 55 | 115.7 Ų | 115.7 | 57% | 0.567 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -19.2 | 177 | 0 | 0 | 0 | 0 | 0 | 116.7 | S128 K129 F130 | G126-S128 PolarHBondContact O-N 3.14Å; G126-K129 PolarHBondContact O-N 3.32Å; G126-F130 PolarHBondContact O-N 3.17Å |
| 127 | L | 46.3 | Very low | 41.9 | Very low | 150 Ų | 150 | 116.7 Ų | 116.7 | 79% | 0.785 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -56 | -31.3 | 168.7 | -100 | 76.2 | 0 | 0 | 0 | 112.3 | K125 A131 | K125-L127 PolarHBondContact O-N 2.98Å; L127-A131 WeakPolarHBondContact O-CB 3.47Å; L127-A131 PolarHBondContact O-N 2.88Å |
| 128 | S | 46.7 | Very low | 42.2 | Very low | 64 Ų | 64 | 115.2 Ų | 115.2 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.9 | -44.1 | 178.9 | 72 | 0 | 0 | 0 | 0 | 112 | K125 G126 A131 R132 | K125-S128 PolarHBondContact O-N 2.83Å; K125-S128 PolarHBondContact O-OG 3.18Å; G126-S128 PolarHBondContact O-N 3.14Å; S128-A131 PolarHBondContact O-N 2.93Å; S128-R132 PolarHBondContact O-N 3.02Å |
| 129 | K | 43.8 | Very low | 42.3 | Very low | 119 Ų | 119 | 119.2 Ų | 119.2 | 52% | 0.517 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.8 | -47.9 | 173.3 | -66 | -162.7 | -179.1 | -167.8 | 0 | 109.9 | F118 G126 A131 R132 L133 | F118-K129 PolarHBondContact O-NZ 3.2Å; G126-K129 PolarHBondContact O-N 3.32Å; K129-A131 PolarHBondContact O-N 2.86Å; K129-R132 PolarHBondContact O-N 2.87Å; K129-L133 PolarHBondContact O-N 2.75Å |
| 130 | F | 47.4 | Very low | 42.5 | Very low | 154 Ų | 154 | 114.8 Ų | 114.8 | 68% | 0.675 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.7 | -39.7 | 176.8 | -125.8 | -89.4 | 0 | 0 | 0 | 112.9 | G126 R132 L133 A134 | G126-F130 PolarHBondContact O-N 3.17Å; F130-R132 PolarHBondContact O-N 2.89Å; F130-L133 PolarHBondContact O-N 2.67Å; F130-A134 WeakPolarHBondContact O-CB 3.36Å; F130-A134 PolarHBondContact O-N 3.3Å |
| 131 | A | 50.7 | Low | 42.7 | Very low | 37 Ų | 37 | 115.3 Ų | 115.3 | 31% | 0.306 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.5 | -23.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L127 S128 K129 R135 | L127-A131 WeakPolarHBondContact O-CB 3.47Å; L127-A131 PolarHBondContact O-N 2.88Å; S128-A131 PolarHBondContact O-N 2.93Å; K129-A131 PolarHBondContact O-N 2.86Å; A131-R135 VanDerWaalsContact O-CB 3.27Å; A131-R135 WeakPolarHBondContact O-CB 3.44Å; A131-R135 VanDerWaalsContact O-CG 3.29Å; A131-R135 WeakPolarHBondContact O-CG 3.38Å; A131-R135 PolarHBondContact O-N 3.36Å; A131-R135 VanDerWaalsContact O-N 3.15Å; A131-R135 PolarHBondContact O-NE 3.43Å |
| 132 | R | 49.4 | Very low | 42.9 | Very low | 200 Ų | 200 | 108.7 Ų | 108.7 | 76% | 0.755 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -73.2 | -47.2 | 168.4 | -92.2 | -179.1 | 165.7 | 168.7 | -4 | 110.9 | S128 K129 F130 R135 S136 | S128-R132 PolarHBondContact O-N 3.02Å; K129-R132 PolarHBondContact O-N 2.87Å; F130-R132 PolarHBondContact O-N 2.89Å; R132-R135 PolarHBondContact O-N 3.18Å; R132-S136 PolarHBondContact O-N 3.39Å |
| 133 | L | 41.9 | Very low | 43.1 | Very low | 72 Ų | 72 | 102.5 Ų | 102.5 | 38% | 0.377 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.4 | -53.5 | 175.3 | -177.2 | 65.4 | 0 | 0 | 0 | 110.8 | A113 K129 F130 R135 S136 V137 | A113-L133 WeakPolarHBondContact O-CD1 3.38Å; K129-L133 PolarHBondContact O-N 2.75Å; F130-L133 PolarHBondContact O-N 2.67Å; L133-R135 PolarHBondContact O-N 3.26Å; L133-S136 PolarHBondContact O-N 3.2Å; L133-S136 VanDerWaalsContact O-N 3.14Å; L133-V137 HydrophobicContact CD1-CG2 4.29Å; L133-V137 WeakPolarHBondContact O-CB 3.41Å; L133-V137 WeakPolarHBondContact O-CG2 3.32Å; L133-V137 PolarHBondContact O-N 3.01Å |
| 134 | A | 47.5 | Very low | 43.2 | Very low | 46 Ų | 46 | 100.7 Ų | 100.7 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.5 | -44.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | F130 S136 V137 T138 | F130-A134 WeakPolarHBondContact O-CB 3.36Å; F130-A134 PolarHBondContact O-N 3.3Å; A134-S136 PolarHBondContact O-N 3.4Å; A134-V137 PolarHBondContact O-N 2.98Å; A134-T138 WeakPolarHBondContact O-CB 3.5Å; A134-T138 WeakPolarHBondContact O-CG2 3.33Å; A134-T138 PolarHBondContact O-N 3.2Å; A134-T138 PolarHBondContact O-OG1 3.3Å |
| 135 | R | 49.2 | Very low | 43.2 | Very low | 162 Ų | 162 | 101.1 Ų | 101.1 | 61% | 0.611 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.3 | -33.2 | 176.5 | -80.9 | 178.3 | -73.7 | -168.9 | -3.6 | 113.7 | A131 R132 L133 T138 R139 | A131-R135 VanDerWaalsContact O-CB 3.27Å; A131-R135 WeakPolarHBondContact O-CB 3.44Å; A131-R135 VanDerWaalsContact O-CG 3.29Å; A131-R135 WeakPolarHBondContact O-CG 3.38Å; A131-R135 PolarHBondContact O-N 3.36Å; A131-R135 VanDerWaalsContact O-N 3.15Å; A131-R135 PolarHBondContact O-NE 3.43Å; R132-R135 PolarHBondContact O-N 3.18Å; L133-R135 PolarHBondContact O-N 3.26Å; R135-T138 PolarHBondContact O-OG1 3.13Å; R135-R139 WeakPolarHBondContact O-CB 3.29Å; R135-R139 PolarHBondContact O-N 2.77Å |
| 136 | S | 44.6 | Very low | 43 | Very low | 38 Ų | 38 | 99.4 Ų | 99.4 | 27% | 0.266 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.3 | -43.7 | 175 | -170.6 | 0 | 0 | 0 | 0 | 112 | A113 R132 L133 A134 R139 N140 | A113-S136 WeakPolarHBondContact CB-OG 3.27Å; R132-S136 PolarHBondContact O-N 3.39Å; L133-S136 PolarHBondContact O-N 3.2Å; L133-S136 VanDerWaalsContact O-N 3.14Å; A134-S136 PolarHBondContact O-N 3.4Å; S136-R139 PolarHBondContact O-N 2.64Å; S136-N140 PolarHBondContact O-N 3.01Å; S136-N140 PolarHBondContact O-ND2 3.11Å |
| 137 | V | 41.1 | Very low | 42.3 | Very low | 59 Ų | 59 | 99.5 Ų | 99.5 | 36% | 0.358 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 177.1 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | L114 L133 A134 N140 R141 | L114-V137 HydrophobicContact CD2-CG2 4.23Å; L133-V137 HydrophobicContact CD1-CG2 4.29Å; L133-V137 WeakPolarHBondContact O-CB 3.41Å; L133-V137 WeakPolarHBondContact O-CG2 3.32Å; L133-V137 PolarHBondContact O-N 3.01Å; A134-V137 PolarHBondContact O-N 2.98Å; V137-N140 PolarHBondContact O-N 3.48Å; V137-R141 WeakPolarHBondContact O-CB 3.26Å; V137-R141 PolarHBondContact O-N 3.42Å |
| 138 | T | 47.4 | Very low | 41.6 | Very low | 82 Ų | 82 | 95.3 Ų | 95.3 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.2 | -36 | 175 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | A134 R135 N140 R141 S142 | A134-T138 WeakPolarHBondContact O-CB 3.5Å; A134-T138 WeakPolarHBondContact O-CG2 3.33Å; A134-T138 PolarHBondContact O-N 3.2Å; A134-T138 PolarHBondContact O-OG1 3.3Å; R135-T138 PolarHBondContact O-OG1 3.13Å; T138-N140 VanDerWaalsContact C-N 3.31Å; T138-N140 PolarHBondContact O-N 3.46Å; T138-R141 PolarHBondContact O-N 2.84Å; T138-S142 VanDerWaalsContact O-CB 3.22Å; T138-S142 WeakPolarHBondContact O-CB 3.39Å; T138-S142 PolarHBondContact O-N 2.84Å; T138-S142 PolarHBondContact O-OG 2.86Å |
| 139 | R | 43 | Very low | 40.9 | Very low | 197 Ų | 197 | 94.6 Ų | 94.6 | 74% | 0.743 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66 | -32.6 | 174.6 | -167.2 | 175.5 | -166.4 | 171.1 | 5.3 | 112.8 | R135 S136 V143 | R135-R139 WeakPolarHBondContact O-CB 3.29Å; R135-R139 PolarHBondContact O-N 2.77Å; S136-R139 PolarHBondContact O-N 2.64Å; R139-V143 VanDerWaalsContact O-CG2 3.27Å; R139-V143 WeakPolarHBondContact O-CG2 3.34Å |
| 140 | N | 40.6 | Very low | 40.3 | Very low | 47 Ų | 47 | 91 Ų | 91 | 25% | 0.251 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -73.9 | -44.2 | 170.3 | -85 | -84.9 | 0 | 0 | 0 | 112 | R109 S136 V137 T138 L144 | R109-N140 PolarHBondContact NE-OD1 2.91Å; R109-N140 PolarHBondContact NH2-OD1 3.45Å; S136-N140 PolarHBondContact O-N 3.01Å; S136-N140 PolarHBondContact O-ND2 3.11Å; V137-N140 PolarHBondContact O-N 3.48Å; T138-N140 VanDerWaalsContact C-N 3.31Å; T138-N140 PolarHBondContact O-N 3.46Å; N140-L144 WeakPolarHBondContact O-CB 3.36Å; N140-L144 WeakPolarHBondContact O-CG 3.47Å; N140-L144 PolarHBondContact O-N 3.22Å |
| 141 | R | 38.3 | Very low | 39.5 | Very low | 162 Ų | 162 | 90.9 Ų | 90.9 | 61% | 0.611 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -74.1 | -34.5 | -174.7 | -163.4 | -179.8 | -174.2 | 169.3 | 2.4 | 112.6 | V137 T138 L144 Q145 | V137-R141 WeakPolarHBondContact O-CB 3.26Å; V137-R141 PolarHBondContact O-N 3.42Å; T138-R141 PolarHBondContact O-N 2.84Å; R141-L144 PolarHBondContact O-N 3.1Å; R141-Q145 HydrophobicContact CG-CG 4.48Å; R141-Q145 VanDerWaalsContact O-CB 3.29Å; R141-Q145 WeakPolarHBondContact O-CB 3.45Å; R141-Q145 VanDerWaalsContact O-CG 3.28Å; R141-Q145 WeakPolarHBondContact O-CG 3.25Å; R141-Q145 PolarHBondContact O-N 2.95Å |
| 142 | S | 39 | Very low | 38.5 | Very low | 54 Ų | 54 | 95.2 Ų | 95.2 | 38% | 0.378 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 175 | 63.8 | 0 | 0 | 0 | 0 | 111.6 | T138 Q145 Q146 | T138-S142 VanDerWaalsContact O-CB 3.22Å; T138-S142 WeakPolarHBondContact O-CB 3.39Å; T138-S142 PolarHBondContact O-N 2.84Å; T138-S142 PolarHBondContact O-OG 2.86Å; S142-Q145 PolarHBondContact O-N 2.98Å; S142-Q146 WeakPolarHBondContact O-CB 3.18Å; S142-Q146 VanDerWaalsContact O-CG 3.31Å; S142-Q146 WeakPolarHBondContact O-CG 3.35Å; S142-Q146 PolarHBondContact O-N 2.84Å |
| 143 | V | 37.4 | Very low | 37.4 | Very low | 53 Ų | 53 | 89 Ų | 89 | 32% | 0.321 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 173.8 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | V5 R139 Q146 L147 | V5-V143 HydrophobicContact CG1-CG1 4.28Å; R139-V143 VanDerWaalsContact O-CG2 3.27Å; R139-V143 WeakPolarHBondContact O-CG2 3.34Å; V143-Q146 PolarHBondContact O-N 3.27Å; V143-L147 HydrophobicContact CG1-CD1 4.07Å; V143-L147 WeakPolarHBondContact O-CB 3.26Å; V143-L147 VanDerWaalsContact O-CG 3.29Å; V143-L147 WeakPolarHBondContact O-CG 3.36Å; V143-L147 PolarHBondContact O-N 3.45Å |
| 144 | L | 32.5 | Very low | 36.8 | Very low | 89 Ų | 89 | 90.4 Ų | 90.4 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.9 | -35 | 175.2 | -76.6 | 167.2 | 0 | 0 | 0 | 113.5 | N140 R141 L147 S148 | N140-L144 WeakPolarHBondContact O-CB 3.36Å; N140-L144 WeakPolarHBondContact O-CG 3.47Å; N140-L144 PolarHBondContact O-N 3.22Å; R141-L144 PolarHBondContact O-N 3.1Å; L144-L147 HydrophobicContact CD2-CD1 4.37Å; L144-L147 PolarHBondContact O-N 3.3Å; L144-S148 PolarHBondContact O-N 3.3Å; L144-S148 PolarHBondContact O-OG 2.95Å |
| 145 | Q | 35.2 | Very low | 36 | Very low | 115 Ų | 115 | 96.6 Ų | 96.6 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.5 | -32.1 | 173.5 | -75.9 | -178.2 | -88.5 | 0 | 0 | 112.4 | R141 S142 S148 A149 | R141-Q145 HydrophobicContact CG-CG 4.48Å; R141-Q145 VanDerWaalsContact O-CB 3.29Å; R141-Q145 WeakPolarHBondContact O-CB 3.45Å; R141-Q145 VanDerWaalsContact O-CG 3.28Å; R141-Q145 WeakPolarHBondContact O-CG 3.25Å; R141-Q145 PolarHBondContact O-N 2.95Å; S142-Q145 PolarHBondContact O-N 2.98Å; Q145-S148 WeakPolarHBondContact CA-OG 3.21Å; Q145-S148 PolarHBondContact O-OG 2.83Å; Q145-A149 WeakPolarHBondContact O-CB 3.48Å; Q145-A149 PolarHBondContact O-N 3.25Å |
| 146 | Q | 36.2 | Very low | 34.9 | Very low | 132 Ų | 132 | 96.1 Ų | 96.1 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.4 | -38.3 | 169.4 | -76.5 | 175.6 | -30.6 | 0 | 0 | 111.2 | S142 V143 S150 | S142-Q146 WeakPolarHBondContact O-CB 3.18Å; S142-Q146 VanDerWaalsContact O-CG 3.31Å; S142-Q146 WeakPolarHBondContact O-CG 3.35Å; S142-Q146 PolarHBondContact O-N 2.84Å; V143-Q146 PolarHBondContact O-N 3.27Å; Q146-S150 VanDerWaalsContact O-CB 3.3Å; Q146-S150 WeakPolarHBondContact O-CB 3.47Å; Q146-S150 PolarHBondContact O-N 2.88Å; Q146-S150 PolarHBondContact O-OG 3.07Å |
| 147 | L | 30.4 | Very low | 34.1 | Very low | 58 Ų | 58 | 98.9 Ų | 98.9 | 30% | 0.304 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.1 | -43.4 | 175.3 | -75.3 | 163.7 | 0 | 0 | 0 | 112.5 | Y2 V5 V143 L144 S150 Q151 | Y2-L147 HydrophobicContact CE1-CD2 4.44Å; V5-L147 HydrophobicContact CG1-CD1 4.48Å; V143-L147 HydrophobicContact CG1-CD1 4.07Å; V143-L147 WeakPolarHBondContact O-CB 3.26Å; V143-L147 VanDerWaalsContact O-CG 3.29Å; V143-L147 WeakPolarHBondContact O-CG 3.36Å; V143-L147 PolarHBondContact O-N 3.45Å; L144-L147 HydrophobicContact CD2-CD1 4.37Å; L144-L147 PolarHBondContact O-N 3.3Å; L147-S150 WeakPolarHBondContact O-CB 3.47Å; L147-S150 PolarHBondContact O-N 3.14Å; L147-Q151 PolarHBondContact O-N 3Å |
| 148 | S | 31 | Very low | 33.4 | Very low | 62 Ų | 62 | 99.9 Ų | 99.9 | 43% | 0.434 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74.4 | -37.3 | 177.5 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | L144 Q145 S150 Q151 | L144-S148 PolarHBondContact O-N 3.3Å; L144-S148 PolarHBondContact O-OG 2.95Å; Q145-S148 WeakPolarHBondContact CA-OG 3.21Å; Q145-S148 PolarHBondContact O-OG 2.83Å; S148-S150 PolarHBondContact O-N 3.49Å; S148-Q151 WeakPolarHBondContact O-CB 3.3Å; S148-Q151 PolarHBondContact O-N 3.02Å; S148-Q151 VanDerWaalsContact O-N 3.13Å |
| 149 | A | 31.8 | Very low | 32.5 | Very low | 49 Ų | 49 | 102.4 Ų | 102.4 | 41% | 0.405 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.2 | -28.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q145 Q151 T152 S153 | Q145-A149 WeakPolarHBondContact O-CB 3.48Å; Q145-A149 PolarHBondContact O-N 3.25Å; A149-Q151 VanDerWaalsContact C-N 3.32Å; A149-T152 PolarHBondContact O-N 3.29Å; A149-T152 PolarHBondContact O-OG1 3.4Å; A149-S153 WeakPolarHBondContact O-CB 3.44Å; A149-S153 PolarHBondContact O-N 2.88Å; A149-S153 PolarHBondContact O-OG 2.84Å |
| 150 | S | 31.9 | Very low | 31.9 | Very low | 44 Ų | 44 | 98.8 Ų | 98.8 | 31% | 0.308 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.9 | -34.6 | 171.9 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | Q146 L147 S148 T152 S153 T154 | Q146-S150 VanDerWaalsContact O-CB 3.3Å; Q146-S150 WeakPolarHBondContact O-CB 3.47Å; Q146-S150 PolarHBondContact O-N 2.88Å; Q146-S150 PolarHBondContact O-OG 3.07Å; L147-S150 WeakPolarHBondContact O-CB 3.47Å; L147-S150 PolarHBondContact O-N 3.14Å; S148-S150 PolarHBondContact O-N 3.49Å; S150-T152 PolarHBondContact O-N 2.93Å; S150-S153 PolarHBondContact O-N 3.34Å; S150-T154 WeakPolarHBondContact O-CB 3.31Å; S150-T154 WeakPolarHBondContact O-CG2 3.46Å; S150-T154 PolarHBondContact O-N 3.04Å; S150-T154 PolarHBondContact O-OG1 2.87Å |
| 151 | Q | 30.7 | Very low | 31.3 | Very low | 151 Ų | 151 | 100.9 Ų | 100.9 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.5 | -18.8 | 177.5 | -69.8 | 178.3 | -20.6 | 0 | 0 | 113.8 | L147 S148 A149 | L147-Q151 PolarHBondContact O-N 3Å; S148-Q151 WeakPolarHBondContact O-CB 3.3Å; S148-Q151 PolarHBondContact O-N 3.02Å; S148-Q151 VanDerWaalsContact O-N 3.13Å; A149-Q151 VanDerWaalsContact C-N 3.32Å |
| 152 | T | 28.9 | Very low | 30.8 | Very low | 127 Ų | 127 | 103.2 Ų | 103.2 | 78% | 0.779 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 2.2 | 179.4 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | A149 S150 | A149-T152 PolarHBondContact O-N 3.29Å; A149-T152 PolarHBondContact O-OG1 3.4Å; S150-T152 PolarHBondContact O-N 2.93Å |
| 153 | S | 27.1 | Very low | 30.2 | Very low | 71 Ų | 71 | 112.2 Ų | 112.2 | 50% | 0.497 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132.7 | -10.9 | -176.3 | 62 | 0 | 0 | 0 | 0 | 116.2 | A149 S150 Q155 | A149-S153 WeakPolarHBondContact O-CB 3.44Å; A149-S153 PolarHBondContact O-N 2.88Å; A149-S153 PolarHBondContact O-OG 2.84Å; S150-S153 PolarHBondContact O-N 3.34Å; S153-Q155 PolarHBondContact O-N 2.68Å |
| 154 | T | 29 | Very low | 29.7 | Very low | 100 Ų | 100 | 114.3 Ų | 114.3 | 61% | 0.613 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 23.2 | -173.8 | 53.7 | 0 | 0 | 0 | 0 | 116.3 | S150 | S150-T154 WeakPolarHBondContact O-CB 3.31Å; S150-T154 WeakPolarHBondContact O-CG2 3.46Å; S150-T154 PolarHBondContact O-N 3.04Å; S150-T154 PolarHBondContact O-OG1 2.87Å |
| 155 | Q | 30.1 | Very low | 29.5 | Very low | 176 Ų | 176 | 117 Ų | 117 | 82% | 0.822 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -19.7 | 168.5 | -74.2 | -167.2 | -5.2 | 0 | 0 | 114 | S153 | S153-Q155 PolarHBondContact O-N 2.68Š|
| 156 | N | 26.5 | Very low | 29.1 | Very low | 153 Ų | 153 | 123 Ų | 123 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -120.5 | -4.9 | -164.9 | -75.9 | -19.7 | 0 | 0 | 0 | 117.8 | ||
| 157 | S | 27.3 | Very low | 28.6 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 67% | 0.665 | S | S | * | * | trans | -129.3 | 16.2 | -165.7 | -54.5 | 0 | 0 | 0 | 0 | 117 | L159 | S157-L159 VanDerWaalsContact C-N 3.26Å; S157-L159 PolarHBondContact O-N 3.16Å | ||
| 158 | A | 27.6 | Very low | 28.4 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 66% | 0.661 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 159 | L | 28.8 | Very low | 28.2 | Very low | 134 Ų | 134 | 130 Ų | 130 | 70% | 0.702 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -9 | -160.9 | -113.8 | 164.4 | 0 | 0 | 0 | 116.7 | S157 I339 | S157-L159 VanDerWaalsContact C-N 3.26Å; S157-L159 PolarHBondContact O-N 3.16Å; L159-I339 HydrophobicContact CD1-CD1 3.64Å |
| 160 | T | 28.7 | Very low | 27.9 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 74% | 0.742 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -106 | -15.3 | -167.2 | -40.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 161 | V | 28.6 | Very low | 27.5 | Very low | 91 Ų | 91 | 135.5 Ų | 135.5 | 55% | 0.552 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -91.3 | -18.3 | -167.6 | -177 | 0 | 0 | 0 | 0 | 114.1 | R163 | V161-R163 VanDerWaalsContact C-N 3.3Å; V161-R163 PolarHBondContact O-N 3Å |
| 162 | Y | 28 | Very low | 27.2 | Very low | 212 Ų | 212 | 132.4 Ų | 132.4 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 7.3 | -169.6 | -109.7 | -77.6 | 0 | 0 | 0 | 116.6 | ||
| 163 | R | 27.3 | Very low | 27.1 | Very low | 242 Ų | 242 | 130.1 Ų | 130.1 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | -9.3 | -173.8 | -152.1 | 169.2 | -175.7 | 171.9 | 1.3 | 117 | V161 | V161-R163 VanDerWaalsContact C-N 3.3Å; V161-R163 PolarHBondContact O-N 3Å |
| 164 | S | 27.1 | Very low | 27.1 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | -24.4 | -170.8 | -55.2 | 0 | 0 | 0 | 0 | 116.3 | R166 | S164-R166 VanDerWaalsContact C-N 3.35Å; S164-R166 PolarHBondContact O-N 2.79Å |
| 165 | N | 28.2 | Very low | 27.1 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -88.7 | 65.6 | -176.2 | -74.4 | 1.7 | 0 | 0 | 0 | 112.9 | ||||
| 166 | R | 25.4 | Very low | 26.9 | Very low | 239 Ų | 239 | 126.6 Ų | 126.6 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -126.1 | 47.7 | 168.1 | -162.1 | -166.5 | -88.9 | -147.5 | -3.7 | 111.9 | S164 | S164-R166 VanDerWaalsContact C-N 3.35Å; S164-R166 PolarHBondContact O-N 2.79Å |
| 167 | L | 25.7 | Very low | 27.1 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -159.9 | 179.9 | 169.3 | -104.5 | 155.8 | 0 | 0 | 0 | 108.1 | ||||
| 168 | I | 26.5 | Very low | 27.1 | Very low | 165 Ų | 165 | 123.9 Ų | 123.9 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | 67.2 | 62.4 | -172.3 | -40.7 | 176.2 | 0 | 0 | 0 | 112.8 | ||||
| 169 | G | 26.1 | Very low | 27.2 | Very low | 74 Ų | 74 | 123.4 Ų | 123.4 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | -71.4 | 147.1 | 149 | 0 | 0 | 0 | 0 | 0 | 109.8 | G171 | G169-G171 PolarHBondContact O-N 2.96Š| ||
| 170 | C | 25.6 | Very low | 27.3 | Very low | 123 Ų | 123 | 124 Ų | 124 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | trans | -70 | 118.2 | -176.2 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 171 | G | 25.1 | Very low | 27.3 | Very low | 86 Ų | 86 | 122.2 Ų | 122.2 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | -124.9 | 75.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G169 | G169-G171 PolarHBondContact O-N 2.96Š| ||
| 172 | G | 24.4 | Very low | 27.3 | Very low | 85 Ų | 85 | 121.6 Ų | 121.6 | 88% | 0.876 | 84% | 0.838 | S | S | * | * | trans | -129.4 | 87 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 173 | G | 26.3 | Very low | 27.4 | Very low | 79 Ų | 79 | 117.3 Ų | 117.3 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | trans | -161.4 | 120.3 | -178 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 174 | A | 27.6 | Very low | 27.6 | Very low | 114 Ų | 114 | 112.3 Ų | 112.3 | 94% | 0.942 | 83% | 0.825 | S | S | * | * | trans | -57.2 | 155.2 | -168 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 175 | G | 27.6 | Very low | 27.9 | Very low | 82 Ų | 82 | 111.5 Ų | 111.5 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | 162.3 | 106.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 176 | G | 27.5 | Very low | 28.1 | Very low | 78 Ų | 78 | 111.5 Ų | 111.5 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | 104.7 | 128.7 | 140.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 177 | A | 30.5 | Very low | 28.3 | Very low | 109 Ų | 109 | 103.7 Ų | 103.7 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | 49.1 | 120.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 178 | G | 27.6 | Very low | 28.6 | Very low | 83 Ų | 83 | 99.5 Ų | 99.5 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -95.4 | 158.1 | 151 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 179 | G | 29.5 | Very low | 28.7 | Very low | 69 Ų | 69 | 96.2 Ų | 96.2 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | 175.4 | 53.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 180 | T | 29.9 | Very low | 28.9 | Very low | 148 Ų | 148 | 101.4 Ų | 101.4 | 91% | 0.908 | 82% | 0.819 | S | S | * | * | trans | 35.3 | 125.8 | 144.2 | 56.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 181 | G | 28.8 | Very low | 29.2 | Very low | 83 Ų | 83 | 101.9 Ų | 101.9 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | 121.1 | 147.3 | 140.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 182 | G | 29.7 | Very low | 29.6 | Very low | 78 Ų | 78 | 105.5 Ų | 105.5 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 105.4 | 69.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 183 | T | 29.6 | Very low | 29.9 | Very low | 122 Ų | 122 | 107.9 Ų | 107.9 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -40.6 | 143 | 154.6 | 56.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 184 | D | 31.9 | Very low | 30.1 | Very low | 137 Ų | 137 | 109.7 Ų | 109.7 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | 175.8 | 171.1 | 69.8 | -94.5 | -61.4 | 0 | 0 | 0 | 109.6 | |||||
| 185 | S | 32 | Very low | 30 | Very low | 80 Ų | 80 | 112.1 Ų | 112.1 | 56% | 0.559 | 79% | 0.792 | S | S | * | * | cis | -177.1 | 168.4 | -47 | 55.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 186 | T | 33.3 | Very low | 30.2 | Very low | 147 Ų | 147 | 115.2 Ų | 115.2 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | 68.6 | 143.1 | 175.9 | 75.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 187 | G | 29.7 | Very low | 30.1 | Very low | 74 Ų | 74 | 115.8 Ų | 115.8 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | cis | 172.1 | 151.7 | -11.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 188 | G | 31 | Very low | 29.9 | Very low | 73 Ų | 73 | 118 Ų | 118 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 77 | 113.1 | 171 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 189 | A | 28.7 | Very low | 29.8 | Very low | 96 Ų | 96 | 123 Ų | 123 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | cis | 67.2 | 119.5 | 5.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 190 | M | 31.4 | Very low | 29.6 | Very low | 184 Ų | 184 | 129 Ų | 129 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -152.9 | 143.4 | 143.4 | -156.3 | 74.2 | 178 | 0 | 0 | 107.6 | ||||
| 191 | N | 30.7 | Very low | 29.4 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -96.9 | 170.1 | 175.1 | -54.6 | -24.2 | 0 | 0 | 0 | 109.9 | ||||
| 192 | D | 34.6 | Very low | 29.2 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -142.2 | 152 | 137.6 | -140.2 | -22 | 0 | 0 | 0 | 109.5 | ||||
| 193 | D | 29.2 | Very low | 29 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -106.7 | -175.6 | -164.4 | -81.7 | -62.7 | 0 | 0 | 0 | 113.1 | ||||
| 194 | T | 31.3 | Very low | 28.8 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | trans | 110.8 | 119.1 | 152.8 | -39.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 195 | E | 26.4 | Very low | 28.6 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | 17 | 123.5 | 154.5 | -53.4 | -179.8 | 108.6 | 0 | 0 | 121.8 | ||||
| 196 | V | 31.3 | Very low | 28.4 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | -140.1 | 114.3 | 109.9 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 197 | S | 25.8 | Very low | 28.2 | Very low | 89 Ų | 89 | 141.8 Ų | 141.8 | 62% | 0.622 | 80% | 0.802 | S | S | * | * | trans | -87.9 | 140.6 | 166.7 | -66.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 198 | N | 25.8 | Very low | 28.1 | Very low | 155 Ų | 155 | 147 Ų | 147 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | 162 | 155.1 | 133.3 | -84.7 | -45.5 | 0 | 0 | 0 | 113.1 | ||||
| 199 | Q | 25.2 | Very low | 27.9 | Very low | 190 Ų | 190 | 147 Ų | 147 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 66.5 | 62.9 | 166.3 | -56.8 | -176.2 | 27.5 | 0 | 0 | 119.3 | ||
| 200 | M | 25.7 | Very low | 27.9 | Very low | 193 Ų | 193 | 149.8 Ų | 149.8 | 95% | 0.951 | 80% | 0.802 | S | S | * | * | trans | -153.8 | 33.7 | 131.5 | -136.1 | 173.4 | -170.9 | 0 | 0 | 116.2 | Q202 | M200-Q202 PolarHBondContact O-N 3.36Å; M200-Q202 VanDerWaalsContact O-N 3.15Å | ||
| 201 | E | 24.7 | Very low | 27.8 | Very low | 201 Ų | 201 | 151.2 Ų | 151.2 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | trans | -79.2 | 89.6 | 169.3 | -73.7 | -162.7 | 115.6 | 0 | 0 | 112.1 | ||||
| 202 | Q | 24.8 | Very low | 27.7 | Very low | 154 Ų | 154 | 152.9 Ų | 152.9 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | -153.8 | 152.9 | 158.3 | -136.8 | 172.4 | 7.2 | 0 | 0 | 112.8 | M200 | M200-Q202 PolarHBondContact O-N 3.36Å; M200-Q202 VanDerWaalsContact O-N 3.15Å | ||
| 203 | Y | 26 | Very low | 27.4 | Very low | 201 Ų | 201 | 153 Ų | 153 | 79% | 0.788 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 68.1 | 48.7 | 175.5 | -60.1 | -77.1 | 0 | 0 | 0 | 118.2 | ||
| 204 | N | 25.6 | Very low | 27.4 | Very low | 163 Ų | 163 | 154.9 Ų | 154.9 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -146 | 60.4 | 158.4 | -109.8 | -32.3 | 0 | 0 | 0 | 114.5 | ||||
| 205 | S | 28.3 | Very low | 27.1 | Very low | 111 Ų | 111 | 156.4 Ų | 156.4 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -175.2 | 133.3 | 154.6 | -87.4 | 0 | 0 | 0 | 0 | 111.8 | S207 | S205-S207 PolarHBondContact O-N 3.45Š| ||
| 206 | P | 27 | Very low | 27.2 | Very low | 132 Ų | 132 | 155.1 Ų | 155.1 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | trans | -82.6 | 100.1 | 167 | 31.9 | -29.9 | 0 | 0 | 0 | 110 | ||||
| 207 | S | 29.7 | Very low | 27 | Very low | 102 Ų | 102 | 153.9 Ų | 153.9 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | trans | -70.7 | 131.3 | 179.9 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | S205 S209 | S205-S207 PolarHBondContact O-N 3.45Å; S207-S209 PolarHBondContact O-N 2.83Å | ||
| 208 | L | 26.3 | Very low | 27 | Very low | 184 Ų | 184 | 154.9 Ų | 154.9 | 96% | 0.963 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -89.6 | 66.7 | -171.9 | -168.9 | 84.3 | 0 | 0 | 0 | 111.7 | ||
| 209 | S | 28.2 | Very low | 27.1 | Very low | 73 Ų | 73 | 153.5 Ų | 153.5 | 51% | 0.51 | 83% | 0.831 | S | S | . | * | trans | -131 | -34.4 | -171.9 | 60.5 | 0 | 0 | 0 | 0 | 117.3 | S207 F211 | S207-S209 PolarHBondContact O-N 2.83Å; S209-F211 PolarHBondContact O-N 2.84Å | ||
| 210 | N | 28.9 | Very low | 27.1 | Very low | 154 Ų | 154 | 148.7 Ų | 148.7 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | -92.2 | 19.3 | -166 | -68.2 | 16.7 | 0 | 0 | 0 | 115.2 | Q212 | N210-Q212 VanDerWaalsContact C-N 3.33Å; N210-Q212 PolarHBondContact O-N 2.69Å | ||
| 211 | F | 27.6 | Very low | 27 | Very low | 215 Ų | 215 | 150.5 Ų | 150.5 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | trans | -95.1 | 52.7 | 174.2 | -104 | -83.3 | 0 | 0 | 0 | 112 | S209 | S209-F211 PolarHBondContact O-N 2.84Š| ||
| 212 | Q | 29.2 | Very low | 27.1 | Very low | 168 Ų | 168 | 150.5 Ų | 150.5 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -134.5 | 68.4 | 174.5 | -73.6 | -169 | -20.2 | 0 | 0 | 111.2 | N210 | N210-Q212 VanDerWaalsContact C-N 3.33Å; N210-Q212 PolarHBondContact O-N 2.69Å | ||
| 213 | N | 28.3 | Very low | 27.1 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | S | Bend | trans | 173.1 | 99.2 | 150.7 | -92.8 | -30.2 | 0 | 0 | 0 | 109.7 | ||
| 214 | L | 28.4 | Very low | 27.2 | Very low | 176 Ų | 176 | 148.9 Ų | 148.9 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | 168.1 | 64.6 | 152.7 | -94.1 | 160 | 0 | 0 | 0 | 109.8 | ||||
| 215 | N | 26.4 | Very low | 27.2 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -90.9 | 175.2 | 160 | -88.5 | -26.1 | 0 | 0 | 0 | 109.5 | ||||
| 216 | T | 27.3 | Very low | 27.1 | Very low | 136 Ų | 136 | 146 Ų | 146 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | 61.3 | 78.6 | 167.6 | 62.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 217 | S | 26.8 | Very low | 27.1 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -149.1 | 115.2 | 134.3 | -37.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 218 | S | 26.2 | Very low | 27.1 | Very low | 110 Ų | 110 | 149.9 Ų | 149.9 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -33.9 | 127.2 | 171.9 | 49.1 | 0 | 0 | 0 | 0 | 118.6 | S220 | S218-S220 PolarHBondContact O-N 3.28Š| ||
| 219 | S | 27.8 | Very low | 27.3 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | trans | 11.1 | 97.9 | 132.6 | -171.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 220 | S | 25.6 | Very low | 27.4 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | -162.7 | 162 | 148.5 | 64.9 | 0 | 0 | 0 | 0 | 110.3 | S218 | S218-S220 PolarHBondContact O-N 3.28Š| ||
| 221 | R | 24.3 | Very low | 27.5 | Very low | 231 Ų | 231 | 144.9 Ų | 144.9 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | 65.4 | 93.7 | 176.2 | -76.7 | 174.4 | -94.4 | -159.6 | -6.9 | 117 | ||||
| 222 | F | 25.8 | Very low | 27.6 | Very low | 200 Ų | 200 | 141.5 Ų | 141.5 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | trans | -54.4 | 159.6 | 136.8 | -88.5 | -116.9 | 0 | 0 | 0 | 111.2 | ||||
| 223 | H | 25.9 | Very low | 27.6 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 70.9 | 145.7 | 168.3 | -99.4 | -99.4 | 0 | 0 | 0 | 118.7 | ||
| 224 | D | 26.7 | Very low | 27.7 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | trans | 47.3 | 100.7 | 179.4 | -89 | -52.9 | 0 | 0 | 0 | 118 | ||||
| 225 | S | 25.6 | Very low | 27.7 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 72% | 0.723 | S | S | * | * | trans | -153.8 | 114.8 | 158.7 | -77.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 226 | S | 27 | Very low | 28.4 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | trans | 38.9 | 94.7 | 166.2 | 56.4 | 0 | 0 | 0 | 0 | 116.3 | S228 | S226-S228 PolarHBondContact O-N 3.17Š| ||
| 227 | K | 27.2 | Very low | 28.8 | Very low | 203 Ų | 203 | 122.3 Ų | 122.3 | 88% | 0.883 | 68% | 0.682 | S | S | * | * | 29.6 | 82 | 85.8 | -63.7 | -178.3 | -179.2 | 177.3 | 0 | 112.1 | |||||
| 228 | S | 30 | Very low | 29.5 | Very low | 113 Ų | 113 | 118.7 Ų | 118.7 | 79% | 0.79 | 66% | 0.657 | S | S | * | * | trans | -94.9 | 123.3 | 156.5 | 42 | 0 | 0 | 0 | 0 | 107.8 | S226 | S226-S228 PolarHBondContact O-N 3.17Š| ||
| 229 | D | 30.6 | Very low | 30.6 | Very low | 63 Ų | 63 | 116.1 Ų | 116.1 | 34% | 0.337 | 64% | 0.639 | S | S | . | * | trans | -51.9 | 125.2 | -153.5 | -39.9 | -53.2 | 0 | 0 | 0 | 114.4 | E231 K232 | D229-E231 HydrophobicContact CB-CB 4.28Å; D229-E231 PolarHBondContact O-N 3.48Å; D229-K232 HydrophobicContact CB-CB 4.37Å; D229-K232 HydrophobicContact CB-CD 4.48Å; D229-K232 HydrophobicContact CB-CG 4.18Å; D229-K232 PolarHBondContact O-N 2.92Å; D229-K232 WeakPolarHBondContact OD2-CD 3.38Å; D229-K232 WeakPolarHBondContact OD2-CE 3.34Å; D229-K232 IonicContact OD2-NZ 2.76Å; D229-K232 PolarHBondContact OD2-NZ 3.38Å | ||
| 230 | P | 30.8 | Very low | 31.8 | Very low | 101 Ų | 101 | 111.6 Ų | 111.6 | 66% | 0.656 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.4 | -28.4 | 169.4 | 25.5 | -33.1 | 0 | 0 | 0 | 110.9 | K232 A233 V234 | P230-K232 VanDerWaalsContact C-N 3.29Å; P230-K232 PolarHBondContact O-N 2.88Å; P230-A233 PolarHBondContact O-N 2.93Å; P230-V234 WeakPolarHBondContact O-CB 3.37Å; P230-V234 VanDerWaalsContact O-CG2 3.31Å; P230-V234 WeakPolarHBondContact O-CG2 3.45Å; P230-V234 PolarHBondContact O-N 2.85Å |
| 231 | E | 29.4 | Very low | 33.1 | Very low | 142 Ų | 142 | 110.5 Ų | 110.5 | 66% | 0.664 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -57.2 | -36 | 171.1 | -64.4 | -173.5 | 125.9 | 0 | 0 | 113.3 | D229 V234 M235 | D229-E231 HydrophobicContact CB-CB 4.28Å; D229-E231 PolarHBondContact O-N 3.48Å; E231-V234 CarbonylContact O-C 3.6Å; E231-V234 PolarHBondContact O-N 3.5Å; E231-M235 WeakPolarHBondContact O-CB 3.32Å; E231-M235 VanDerWaalsContact O-CG 3.26Å; E231-M235 WeakPolarHBondContact O-CG 3.18Å; E231-M235 PolarHBondContact O-N 3.07Å |
| 232 | K | 30.6 | Very low | 34.6 | Very low | 143 Ų | 143 | 106 Ų | 106 | 62% | 0.622 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -74.2 | -30.9 | 178.9 | -76.1 | -178.7 | 176.5 | 118.8 | 0 | 112.5 | D229 P230 S236 | D229-K232 HydrophobicContact CB-CB 4.37Å; D229-K232 HydrophobicContact CB-CD 4.48Å; D229-K232 HydrophobicContact CB-CG 4.18Å; D229-K232 PolarHBondContact O-N 2.92Å; D229-K232 WeakPolarHBondContact OD2-CD 3.38Å; D229-K232 WeakPolarHBondContact OD2-CE 3.34Å; D229-K232 IonicContact OD2-NZ 2.76Å; D229-K232 PolarHBondContact OD2-NZ 3.38Å; P230-K232 VanDerWaalsContact C-N 3.29Å; P230-K232 PolarHBondContact O-N 2.88Å; K232-S236 PolarHBondContact O-N 3.3Å |
| 233 | A | 29.7 | Very low | 35.9 | Very low | 57 Ų | 57 | 100.9 Ų | 100.9 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.3 | -49.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P230 M235 S236 T237 | P230-A233 PolarHBondContact O-N 2.93Å; A233-M235 PolarHBondContact O-N 2.99Å; A233-S236 WeakPolarHBondContact O-CA 3.31Å; A233-S236 WeakPolarHBondContact O-CB 3.32Å; A233-S236 PolarHBondContact O-N 3.09Å; A233-S236 PolarHBondContact O-OG 3.15Å; A233-T237 WeakPolarHBondContact O-CG2 3.26Å; A233-T237 PolarHBondContact O-N 3.49Å; A233-T237 VanDerWaalsContact O-N 3.15Å |
| 234 | V | 30.1 | Very low | 37.3 | Very low | 85 Ų | 85 | 94.2 Ų | 94.2 | 52% | 0.515 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | -179.4 | 170.9 | 0 | 0 | 0 | 0 | 112.8 | P230 E231 S236 T237 S238 | P230-V234 WeakPolarHBondContact O-CB 3.37Å; P230-V234 VanDerWaalsContact O-CG2 3.31Å; P230-V234 WeakPolarHBondContact O-CG2 3.45Å; P230-V234 PolarHBondContact O-N 2.85Å; E231-V234 CarbonylContact O-C 3.6Å; E231-V234 PolarHBondContact O-N 3.5Å; V234-S236 PolarHBondContact O-N 3.14Å; V234-T237 PolarHBondContact O-N 2.94Å; V234-T237 PolarHBondContact O-OG1 2.84Å; V234-S238 PolarHBondContact O-N 2.92Å; V234-S238 PolarHBondContact O-OG 2.99Å; V234-S238 VanDerWaalsContact O-OG 3.08Å |
| 235 | M | 27.8 | Very low | 38.7 | Very low | 131 Ų | 131 | 90.6 Ų | 90.6 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -31.2 | 172.6 | -76 | -179.7 | 91.7 | 0 | 0 | 112.4 | E231 A233 S238 S239 | E231-M235 WeakPolarHBondContact O-CB 3.32Å; E231-M235 VanDerWaalsContact O-CG 3.26Å; E231-M235 WeakPolarHBondContact O-CG 3.18Å; E231-M235 PolarHBondContact O-N 3.07Å; A233-M235 PolarHBondContact O-N 2.99Å; M235-S238 PolarHBondContact O-OG 3.39Å; M235-S239 WeakPolarHBondContact O-CB 3.26Å; M235-S239 PolarHBondContact O-N 3.02Å |
| 236 | S | 40.7 | Very low | 40.3 | Very low | 76 Ų | 76 | 90.1 Ų | 90.1 | 53% | 0.531 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -78.6 | -21.5 | 175.1 | 80.3 | 0 | 0 | 0 | 0 | 113.2 | K232 A233 V234 | K232-S236 PolarHBondContact O-N 3.3Å; A233-S236 WeakPolarHBondContact O-CA 3.31Å; A233-S236 WeakPolarHBondContact O-CB 3.32Å; A233-S236 PolarHBondContact O-N 3.09Å; A233-S236 PolarHBondContact O-OG 3.15Å; V234-S236 PolarHBondContact O-N 3.14Å |
| 237 | T | 36.5 | Very low | 41.5 | Very low | 40 Ų | 40 | 92.6 Ų | 92.6 | 25% | 0.245 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -87.4 | -45.8 | 175.5 | 69.3 | 0 | 0 | 0 | 0 | 112 | A233 V234 S239 W240 L241 | A233-T237 WeakPolarHBondContact O-CG2 3.26Å; A233-T237 PolarHBondContact O-N 3.49Å; A233-T237 VanDerWaalsContact O-N 3.15Å; V234-T237 PolarHBondContact O-N 2.94Å; V234-T237 PolarHBondContact O-OG1 2.84Å; T237-S239 PolarHBondContact O-N 2.92Å; T237-W240 PolarHBondContact O-N 2.88Å; T237-W240 VanDerWaalsContact O-N 3.11Å; T237-L241 VanDerWaalsContact O-CD1 3.28Å; T237-L241 WeakPolarHBondContact O-CD1 3.48Å; T237-L241 PolarHBondContact O-N 3.41Å; T237-L241 VanDerWaalsContact O-N 3.11Å |
| 238 | S | 40.8 | Very low | 42.9 | Very low | 46 Ų | 46 | 85 Ų | 85 | 32% | 0.322 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 176.7 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | V234 M235 W240 L241 D242 | V234-S238 PolarHBondContact O-N 2.92Å; V234-S238 PolarHBondContact O-OG 2.99Å; V234-S238 VanDerWaalsContact O-OG 3.08Å; M235-S238 PolarHBondContact O-OG 3.39Å; S238-W240 PolarHBondContact O-N 2.87Å; S238-L241 PolarHBondContact O-N 2.96Å; S238-D242 WeakPolarHBondContact O-CB 3.3Å; S238-D242 VanDerWaalsContact O-CG 3.27Å; S238-D242 PolarHBondContact O-N 2.91Å |
| 239 | S | 49.9 | Very low | 44.1 | Very low | 57 Ų | 57 | 84.6 Ų | 84.6 | 40% | 0.399 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -55.8 | -24.7 | 176 | -177.4 | 0 | 0 | 0 | 0 | 114.1 | M235 T237 L243 | M235-S239 WeakPolarHBondContact O-CB 3.26Å; M235-S239 PolarHBondContact O-N 3.02Å; T237-S239 PolarHBondContact O-N 2.92Å; S239-L243 WeakPolarHBondContact O-CD1 3.08Å |
| 240 | W | 52.7 | Low | 45.1 | Very low | 30 Ų | 30 | 86.1 Ų | 86.1 | 11% | 0.114 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -85 | -39.6 | 172 | -173.3 | 67.4 | 0 | 0 | 0 | 112.9 | C90 A92 L105 A107 T237 S238 L243 I244 | C90-W240 HydrophobicContact CB-CD2 4.32Å; C90-W240 HydrophobicContact CB-CE3 3.72Å; C90-W240 HydrophobicContact CB-CH2 3.75Å; C90-W240 HydrophobicContact CB-CZ2 4.33Å; C90-W240 HydrophobicContact CB-CZ3 3.4Å; C90-W240 WeakPolarHBondContact O-CH2 3.43Å; A92-W240 HydrophobicContact CB-CH2 3.78Å; A92-W240 HydrophobicContact CB-CZ3 3.73Å; L105-W240 HydrophobicContact CD2-CH2 4.29Å; L105-W240 HydrophobicContact CD2-CZ2 3.78Å; L105-W240 HydrophobicContact CG-CH2 4.31Å; L105-W240 HydrophobicContact CG-CZ2 4.03Å; A107-W240 HydrophobicContact CB-CH2 4.04Å; A107-W240 HydrophobicContact CB-CZ2 3.35Å; T237-W240 PolarHBondContact O-N 2.88Å; T237-W240 VanDerWaalsContact O-N 3.11Å; S238-W240 PolarHBondContact O-N 2.87Å; W240-L243 PolarHBondContact O-N 3.46Å; W240-I244 HydrophobicContact CE3-CD1 4.3Å; W240-I244 HydrophobicContact CH2-CD1 3.96Å; W240-I244 HydrophobicContact CZ2-CD1 4.24Å; W240-I244 HydrophobicContact CZ3-CD1 4Å; W240-I244 WeakPolarHBondContact O-CG1 3.42Å |
| 241 | L | 54 | Low | 46.4 | Very low | 68 Ų | 68 | 85 Ų | 85 | 36% | 0.356 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 177.2 | -90 | 76.4 | 0 | 0 | 0 | 112.5 | P70 T237 S238 L243 I244 | P70-L241 HydrophobicContact CB-CD2 3.92Å; P70-L241 HydrophobicContact CG-CD2 3.99Å; T237-L241 VanDerWaalsContact O-CD1 3.28Å; T237-L241 WeakPolarHBondContact O-CD1 3.48Å; T237-L241 PolarHBondContact O-N 3.41Å; T237-L241 VanDerWaalsContact O-N 3.11Å; S238-L241 PolarHBondContact O-N 2.96Å; L241-L243 PolarHBondContact O-N 2.91Å; L241-L243 VanDerWaalsContact O-N 3.16Å; L241-I244 WeakPolarHBondContact O-CB 3.44Å; L241-I244 WeakPolarHBondContact O-CG1 3.41Å; L241-I244 PolarHBondContact O-N 2.88Å; L241-I244 VanDerWaalsContact O-N 3.1Å |
| 242 | D | 54.4 | Low | 47.9 | Very low | 137 Ų | 137 | 83.3 Ų | 83.3 | 73% | 0.733 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.1 | 179 | -63.1 | -31.5 | 0 | 0 | 0 | 112.5 | S238 | S238-D242 WeakPolarHBondContact O-CB 3.3Å; S238-D242 VanDerWaalsContact O-CG 3.27Å; S238-D242 PolarHBondContact O-N 2.91Å |
| 243 | L | 52.9 | Low | 49.5 | Very low | 92 Ų | 92 | 84 Ų | 84 | 48% | 0.482 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 0.1 | 178.7 | -112.6 | 157.7 | 0 | 0 | 0 | 113.6 | S239 W240 L241 P245 | S239-L243 WeakPolarHBondContact O-CD1 3.08Å; W240-L243 PolarHBondContact O-N 3.46Å; L241-L243 PolarHBondContact O-N 2.91Å; L241-L243 VanDerWaalsContact O-N 3.16Å; L243-P245 WeakPolarHBondContact O-CD 3.47Å |
| 244 | I | 55.6 | Low | 51.7 | Low | 30 Ų | 30 | 83.2 Ų | 83.2 | 15% | 0.154 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -86.7 | 115.8 | -179.4 | -56.5 | -177.6 | 0 | 0 | 0 | 109.6 | A92 V94 L105 W240 L241 Q246 | A92-I244 HydrophobicContact CB-CD1 3.2Å; V94-I244 HydrophobicContact CG2-CG2 4.04Å; L105-I244 HydrophobicContact CD2-CD1 4.09Å; L105-I244 HydrophobicContact CD2-CG1 3.97Å; L105-I244 HydrophobicContact CD2-CG2 4.07Å; W240-I244 HydrophobicContact CE3-CD1 4.3Å; W240-I244 HydrophobicContact CH2-CD1 3.96Å; W240-I244 HydrophobicContact CZ2-CD1 4.24Å; W240-I244 HydrophobicContact CZ3-CD1 4Å; W240-I244 WeakPolarHBondContact O-CG1 3.42Å; L241-I244 WeakPolarHBondContact O-CB 3.44Å; L241-I244 WeakPolarHBondContact O-CG1 3.41Å; L241-I244 PolarHBondContact O-N 2.88Å; L241-I244 VanDerWaalsContact O-N 3.1Å; I244-Q246 PolarHBondContact O-N 2.87Å |
| 245 | P | 57.2 | Low | 54 | Low | 74 Ų | 74 | 82 Ų | 82 | 48% | 0.481 | 44% | 0.444 | S | S | . | . | trans | -66.8 | 127.9 | 175.7 | 29.5 | -35.2 | 0 | 0 | 0 | 109.9 | Y3 V94 L243 | Y3-P245 WeakPolarHBondContact OH-CD 3.17Å; Y3-P245 WeakPolarHBondContact OH-CG 3.49Å; V94-P245 WeakPolarHBondContact CG1-O 3.4Å; L243-P245 WeakPolarHBondContact O-CD 3.47Å | ||
| 246 | Q | 57.9 | Low | 56.3 | Low | 102 Ų | 102 | 81 Ų | 81 | 48% | 0.477 | 45% | 0.446 | S | S | . | . | trans | -63.5 | 144.7 | 166.9 | -59.9 | -178.5 | -13.1 | 0 | 0 | 109.1 | I244 K248 | I244-Q246 PolarHBondContact O-N 2.87Å; Q246-K248 HydrophobicContact CB-CD 4.09Å; Q246-K248 HydrophobicContact CB-CG 3.91Å; Q246-K248 PolarHBondContact O-N 3.33Å | ||
| 247 | Y | 53.7 | Low | 58.4 | Low | 155 Ų | 155 | 85 Ų | 85 | 61% | 0.608 | 46% | 0.456 | S | S | * | . | B | Isolated β-bridge | trans | -81.9 | 68.1 | 179.4 | -165 | -93.5 | 0 | 0 | 0 | 109.9 | R95 N96 V102 L103 | R95-Y247 PolarHBondContact O-N 3.17Å; N96-Y247 WeakPolarHBondContact CA-O 3.47Å; V102-Y247 HydrophobicContact CG2-CD1 4.13Å; V102-Y247 HydrophobicContact CG2-CG 4.09Å; L103-Y247 HydrophobicContact CD1-CD2 3.86Å; L103-Y247 HydrophobicContact CD1-CE2 4.11Å; L103-Y247 HydrophobicContact CD1-CG 4.43Å |
| 248 | K | 55.3 | Low | 60.9 | Low | 44 Ų | 44 | 83.9 Ų | 83.9 | 19% | 0.191 | 45% | 0.449 | C | S | . | . | trans | -125.9 | 131.2 | -178.8 | -53 | -173.1 | 174.4 | 171 | 0 | 108.6 | N96 E97 E99 Q246 E250 | N96-K248 WeakPolarHBondContact O-CE 3.44Å; E97-K248 HydrophobicContact CG-CB 3.66Å; E97-K248 HydrophobicContact CG-CD 4.16Å; E97-K248 HydrophobicContact CG-CG 3.67Å; E97-K248 WeakPolarHBondContact OE1-CA 3.44Å; E99-K248 IonicContact OE1-NZ 3.66Å; E99-K248 PolarHBondContact OE1-NZ 2.88Å; Q246-K248 HydrophobicContact CB-CD 4.09Å; Q246-K248 HydrophobicContact CB-CG 3.91Å; Q246-K248 PolarHBondContact O-N 3.33Å; K248-E250 HydrophobicContact CB-CG 3.79Å; K248-E250 PolarHBondContact O-N 3.28Å | ||
| 249 | Q | 54.7 | Low | 63.3 | Low | 103 Ų | 103 | 83.6 Ų | 83.6 | 48% | 0.481 | 44% | 0.443 | S | S | . | . | trans | -88.9 | 52.4 | 179.6 | -168 | -176 | -13.3 | 0 | 0 | 109.6 | E97 P1139 T1140 | E97-Q249 PolarHBondContact OE1-N 2.89Å; Q249-P1139 HydrophobicContact CB-CB 3.91Å; Q249-P1139 HydrophobicContact CB-CG 3.92Å; Q249-P1139 HydrophobicContact CG-CB 4.13Å; Q249-T1140 PolarHBondContact NE2-OG1 3.38Å | ||
| 250 | E | 52.4 | Low | 65.1 | Low | 96 Ų | 96 | 82.3 Ų | 82.3 | 45% | 0.449 | 43% | 0.432 | S | S | . | . | trans | -67.8 | 152.3 | -179.1 | -68.8 | 173.1 | 160.1 | 0 | 0 | 111.4 | K248 K253 | K248-E250 HydrophobicContact CB-CG 3.79Å; K248-E250 PolarHBondContact O-N 3.28Å; E250-K253 IonicContact OE1-NZ 3.02Å; E250-K253 WeakPolarHBondContact OE2-CE 3.32Å; E250-K253 IonicContact OE2-NZ 3.25Å; E250-K253 PolarHBondContact OE2-NZ 3.07Å | ||
| 251 | A | 58.4 | Low | 66.6 | Low | 76 Ų | 76 | 83.6 Ų | 83.6 | 63% | 0.628 | 44% | 0.439 | S | S | * | . | trans | -56.1 | 142.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | K253 | A251-K253 PolarHBondContact O-N 3.14Š| ||
| 252 | P | 61.6 | Low | 68.1 | Low | 108 Ų | 108 | 86.9 Ų | 86.9 | 70% | 0.701 | 45% | 0.448 | S | S | * | . | trans | -59 | 111.1 | -175 | 23.5 | -33.8 | 0 | 0 | 0 | 110.6 | T254 | P252-T254 PolarHBondContact O-N 2.95Š| ||
| 253 | K | 64.1 | Low | 69.7 | Low | 158 Ų | 158 | 83 Ų | 83 | 69% | 0.687 | 43% | 0.429 | S | S | * | . | trans | -64.4 | 97.4 | -178 | -75.7 | 171 | 170.8 | 159.9 | 0 | 110.1 | E250 A251 | E250-K253 IonicContact OE1-NZ 3.02Å; E250-K253 WeakPolarHBondContact OE2-CE 3.32Å; E250-K253 IonicContact OE2-NZ 3.25Å; E250-K253 PolarHBondContact OE2-NZ 3.07Å; A251-K253 PolarHBondContact O-N 3.14Å | ||
| 254 | T | 75.3 | Confident | 71.4 | Confident | 40 Ų | 40 | 82.1 Ų | 82.1 | 25% | 0.245 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 141.5 | 163.8 | 50.2 | 0 | 0 | 0 | 0 | 109.2 | P252 I258 L260 T322 | P252-T254 PolarHBondContact O-N 2.95Å; T254-I258 HydrophobicContact CG2-CG2 4.47Å; T254-L260 HydrophobicContact CG2-CD1 3.72Å; T254-L260 HydrophobicContact CG2-CD2 4.1Å; T254-L260 HydrophobicContact CG2-CG 3.83Å; T254-T322 HydrophobicContact CG2-CG2 4.36Å |
| 255 | P | 78.8 | Confident | 73.1 | Confident | 60 Ų | 60 | 86.3 Ų | 86.3 | 39% | 0.39 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 156.7 | 174.7 | 29.5 | -35.7 | 0 | 0 | 0 | 110.3 | I258 | P255-I258 HydrophobicContact CG-CB 4.5Å; P255-I258 HydrophobicContact CG-CD1 3.5Å; P255-I258 VanDerWaalsContact CG-CD1 3.5Å; P255-I258 HydrophobicContact CG-CG1 4.01Å; P255-I258 PolarHBondContact O-N 2.8Å |
| 256 | P | 76.1 | Confident | 74.5 | Confident | 108 Ų | 108 | 83.5 Ų | 83.5 | 70% | 0.701 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 150 | 177.2 | 24.9 | -34.6 | 0 | 0 | 0 | 111 | I258 | P256-I258 VanDerWaalsContact C-N 3.28Å; P256-I258 PolarHBondContact O-N 2.68Å |
| 257 | H | 83.6 | Confident | 75.8 | Confident | 160 Ų | 160 | 80.9 Ų | 80.9 | 74% | 0.741 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 10.8 | -174.3 | -42.2 | -79.6 | 0 | 0 | 0 | 116.2 | H320 | H257-H320 WeakPolarHBondContact O-CB 3.44Å; H257-H320 PolarHBondContact O-CD2 3.47Å; H257-H320 VanDerWaalsContact O-CD2 3.29Å |
| 258 | I | 89.7 | Confident | 77.5 | Confident | 18 Ų | 18 | 78.1 Ų | 78.1 | 9% | 0.092 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -103.4 | 131.6 | 165.8 | -63.9 | -170.6 | 0 | 0 | 0 | 110.8 | T254 P255 P256 H320 T322 S332 A334 I337 | T254-I258 HydrophobicContact CG2-CG2 4.47Å; P255-I258 HydrophobicContact CG-CB 4.5Å; P255-I258 HydrophobicContact CG-CD1 3.5Å; P255-I258 VanDerWaalsContact CG-CD1 3.5Å; P255-I258 HydrophobicContact CG-CG1 4.01Å; P255-I258 PolarHBondContact O-N 2.8Å; P256-I258 VanDerWaalsContact C-N 3.28Å; P256-I258 PolarHBondContact O-N 2.68Å; I258-H320 CarbonylContact C-O 3.53Å; I258-H320 WeakPolarHBondContact CA-O 3.43Å; I258-T322 HydrophobicContact CG2-CG2 3.46Å; I258-T322 VanDerWaalsContact CG2-CG2 3.46Å; I258-S332 WeakPolarHBondContact CD1-O 3.3Å; I258-A334 HydrophobicContact CD1-CB 4.06Å; I258-I337 HydrophobicContact CD1-CD1 4.03Å; I258-I337 HydrophobicContact CG2-CD1 4.32Å |
| 259 | I | 90.3 | Very high | 79.2 | Confident | 40 Ų | 40 | 77.8 Ų | 77.8 | 21% | 0.205 | 42% | 0.42 | C | S | . | . | B | Isolated β-bridge | trans | -100.4 | 134.4 | 178.2 | -57.1 | 173.9 | 0 | 0 | 0 | 108.4 | F265 K266 L317 H320 T321 T322 | I259-F265 HydrophobicContact CD1-CE1 4.33Å; I259-K266 HydrophobicContact CG2-CB 4.15Å; I259-L317 HydrophobicContact CD1-CD2 3.66Å; I259-H320 PolarHBondContact N-O 3.45Å; I259-T321 CarbonylContact O-C 3.58Å; I259-T321 VanDerWaalsContact O-CA 3.28Å; I259-T321 WeakPolarHBondContact O-CA 3.18Å; I259-T322 PolarHBondContact O-N 3.24Å |
| 260 | L | 88.1 | Confident | 80.6 | Confident | 30 Ų | 30 | 74 Ų | 74 | 16% | 0.157 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 134 | 176.9 | -62.4 | 79.6 | 0 | 0 | 0 | 110 | T254 Y262 V263 T322 | T254-L260 HydrophobicContact CG2-CD1 3.72Å; T254-L260 HydrophobicContact CG2-CD2 4.1Å; T254-L260 HydrophobicContact CG2-CG 3.83Å; L260-Y262 HydrophobicContact CB-CD1 4.34Å; L260-Y262 HydrophobicContact CB-CE1 4.11Å; L260-Y262 HydrophobicContact CD2-CE1 3.76Å; L260-Y262 HydrophobicContact CD2-CE2 4.38Å; L260-Y262 VanDerWaalsContact CD2-OH 3.26Å; L260-Y262 WeakPolarHBondContact CD2-OH 3.3Å; L260-Y262 PolarHBondContact O-N 3.43Å; L260-V263 HydrophobicContact CB-CG2 3.89Å; L260-V263 WeakPolarHBondContact O-CB 3.43Å; L260-V263 PolarHBondContact O-N 2.91Å; L260-T322 WeakPolarHBondContact CA-OG1 3.33Å; L260-T322 HydrophobicContact CG-CG2 4.48Å |
| 261 | H | 85.3 | Confident | 82.2 | Confident | 57 Ų | 57 | 74.9 Ų | 74.9 | 26% | 0.264 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -26.7 | -176.1 | 59.2 | -88.4 | 0 | 0 | 0 | 115.1 | T321 T322 V324 | H261-T321 HydrophobicContact CB-CG2 4.06Å; H261-T322 WeakPolarHBondContact CB-O 3.37Å; H261-T322 PolarHBondContact N-OG1 3.13Å; H261-T322 PolarHBondContact ND1-OG1 2.87Å; H261-V324 VanDerWaalsContact CE1-CG2 3.44Å; H261-V324 WeakPolarHBondContact CE1-CG2 3.27Å; H261-V324 WeakPolarHBondContact NE2-CG2 3.37Å |
| 262 | Y | 85.1 | Confident | 83.6 | Confident | 136 Ų | 136 | 74.9 Ų | 74.9 | 53% | 0.533 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -0.8 | -179.4 | 63.5 | -103 | 0 | 0 | 0 | 114.5 | L260 | L260-Y262 HydrophobicContact CB-CD1 4.34Å; L260-Y262 HydrophobicContact CB-CE1 4.11Å; L260-Y262 HydrophobicContact CD2-CE1 3.76Å; L260-Y262 HydrophobicContact CD2-CE2 4.38Å; L260-Y262 VanDerWaalsContact CD2-OH 3.26Å; L260-Y262 WeakPolarHBondContact CD2-OH 3.3Å; L260-Y262 PolarHBondContact O-N 3.43Å |
| 263 | V | 87.7 | Confident | 84.8 | Confident | 57 Ų | 57 | 70 Ų | 70 | 35% | 0.345 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -71.1 | 136.9 | -179.7 | 163.3 | 0 | 0 | 0 | 0 | 110.7 | L260 F265 K266 T267 | L260-V263 HydrophobicContact CB-CG2 3.89Å; L260-V263 WeakPolarHBondContact O-CB 3.43Å; L260-V263 PolarHBondContact O-N 2.91Å; V263-F265 HydrophobicContact CG1-CB 4.12Å; V263-F265 PolarHBondContact O-N 3.08Å; V263-F265 VanDerWaalsContact O-N 3.1Å; V263-K266 WeakPolarHBondContact O-CA 3.24Å; V263-K266 PolarHBondContact O-N 3.19Å; V263-T267 PolarHBondContact O-N 3.26Å; V263-T267 VanDerWaalsContact O-N 3.1Å; V263-T267 PolarHBondContact O-OG1 2.67Å |
| 264 | A | 88.5 | Confident | 85.6 | Confident | 72 Ų | 72 | 64.6 Ų | 64.6 | 60% | 0.595 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -50.4 | -39.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | K266 T267 T268 | A264-K266 PolarHBondContact O-N 3.45Å; A264-T267 PolarHBondContact O-N 3.34Å; A264-T268 PolarHBondContact O-N 2.94Å; A264-T268 PolarHBondContact O-OG1 2.8Å |
| 265 | F | 90.8 | Very high | 86.1 | Confident | 119 Ų | 119 | 69.4 Ų | 69.4 | 52% | 0.522 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.7 | -45.6 | 173 | 170.7 | -100.7 | 0 | 0 | 0 | 112.9 | I259 V263 T268 W269 | I259-F265 HydrophobicContact CD1-CE1 4.33Å; V263-F265 HydrophobicContact CG1-CB 4.12Å; V263-F265 PolarHBondContact O-N 3.08Å; V263-F265 VanDerWaalsContact O-N 3.1Å; F265-T268 PolarHBondContact O-N 3.38Å; F265-W269 WeakPolarHBondContact O-CB 3.12Å; F265-W269 PolarHBondContact O-N 3.45Å |
| 266 | K | 87.7 | Confident | 86.5 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 6% | 0.061 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.6 | -36.6 | 178.7 | -173.8 | 54.9 | 169.5 | 68 | 0 | 111.2 | I259 V263 A264 W269 D270 T321 | I259-K266 HydrophobicContact CG2-CB 4.15Å; V263-K266 WeakPolarHBondContact O-CA 3.24Å; V263-K266 PolarHBondContact O-N 3.19Å; A264-K266 PolarHBondContact O-N 3.45Å; K266-W269 PolarHBondContact O-N 2.86Å; K266-D270 VanDerWaalsContact NZ-CG 3.27Å; K266-D270 IonicContact NZ-OD1 3.46Å; K266-D270 PolarHBondContact NZ-OD1 2.92Å; K266-D270 IonicContact NZ-OD2 3.2Å; K266-D270 PolarHBondContact NZ-OD2 2.95Å; K266-D270 VanDerWaalsContact NZ-OD2 3.17Å; K266-D270 WeakPolarHBondContact O-CB 3.35Å; K266-D270 PolarHBondContact O-N 3.35Å; K266-T321 HydrophobicContact CD-CG2 4.43Å; K266-T321 WeakPolarHBondContact CE-OG1 3.26Å; K266-T321 HydrophobicContact CG-CG2 4.23Å |
| 267 | T | 85.7 | Confident | 86.8 | Confident | 47 Ų | 47 | 63 Ų | 63 | 29% | 0.288 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 172.9 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | V263 A264 W269 D270 W271 | V263-T267 PolarHBondContact O-N 3.26Å; V263-T267 VanDerWaalsContact O-N 3.1Å; V263-T267 PolarHBondContact O-OG1 2.67Å; A264-T267 PolarHBondContact O-N 3.34Å; T267-W269 VanDerWaalsContact C-N 3.34Å; T267-W269 PolarHBondContact O-N 3.1Å; T267-D270 PolarHBondContact O-N 2.7Å; T267-W271 VanDerWaalsContact O-CD1 3.27Å; T267-W271 PolarHBondContact O-N 2.81Å; T267-W271 VanDerWaalsContact O-N 3.1Å |
| 268 | T | 89.3 | Confident | 86.9 | Confident | 98 Ų | 98 | 57.1 Ų | 57.1 | 60% | 0.601 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.7 | -37.9 | 176.4 | -54.7 | 0 | 0 | 0 | 0 | 112 | A264 F265 W271 L272 | A264-T268 PolarHBondContact O-N 2.94Å; A264-T268 PolarHBondContact O-OG1 2.8Å; F265-T268 PolarHBondContact O-N 3.38Å; T268-W271 PolarHBondContact O-N 3.1Å; T268-L272 PolarHBondContact O-N 2.61Å |
| 269 | W | 90.2 | Very high | 86.8 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 14% | 0.136 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 173.2 | -176.2 | -90.5 | 0 | 0 | 0 | 111.9 | F265 K266 T267 W271 L272 I273 I310 I313 D314 L317 | F265-W269 WeakPolarHBondContact O-CB 3.12Å; F265-W269 PolarHBondContact O-N 3.45Å; K266-W269 PolarHBondContact O-N 2.86Å; T267-W269 VanDerWaalsContact C-N 3.34Å; T267-W269 PolarHBondContact O-N 3.1Å; W269-W271 VanDerWaalsContact C-N 3.29Å; W269-W271 PolarHBondContact O-N 3.48Å; W269-L272 HydrophobicContact CE3-CD2 4.29Å; W269-L272 HydrophobicContact CZ3-CD2 4.24Å; W269-L272 WeakPolarHBondContact O-CB 3.41Å; W269-L272 PolarHBondContact O-N 2.9Å; W269-L272 VanDerWaalsContact O-N 3.12Å; W269-I273 HydrophobicContact CG-CG1 4.49Å; W269-I273 HydrophobicContact CZ2-CD1 4.13Å; W269-I273 WeakPolarHBondContact O-CG1 3.25Å; W269-I273 PolarHBondContact O-N 2.96Å; W269-I310 HydrophobicContact CH2-CG2 3.89Å; W269-I310 HydrophobicContact CZ2-CG2 4.01Å; W269-I313 HydrophobicContact CH2-CB 4.23Å; W269-I313 HydrophobicContact CH2-CG2 3.66Å; W269-I313 HydrophobicContact CZ2-CB 4.28Å; W269-I313 HydrophobicContact CZ2-CG2 3.85Å; W269-D314 HydrophobicContact CZ2-CB 4.29Å; W269-D314 PolarHBondContact NE1-OD1 2.91Å; W269-L317 HydrophobicContact CD2-CD1 3.77Å; W269-L317 VanDerWaalsContact CE2-CD1 3.41Å; W269-L317 HydrophobicContact CE3-CD1 4.25Å; W269-L317 HydrophobicContact CG-CD1 4.27Å; W269-L317 HydrophobicContact CH2-CD1 4.14Å; W269-L317 HydrophobicContact CZ2-CD1 3.64Å; W269-L317 HydrophobicContact CZ3-CD1 4.42Å |
| 270 | D | 85 | Confident | 86.5 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.1 | -34 | 177.2 | -71 | -25.9 | 0 | 0 | 0 | 112.3 | K266 T267 L274 K392 | K266-D270 VanDerWaalsContact NZ-CG 3.27Å; K266-D270 IonicContact NZ-OD1 3.46Å; K266-D270 PolarHBondContact NZ-OD1 2.92Å; K266-D270 IonicContact NZ-OD2 3.2Å; K266-D270 PolarHBondContact NZ-OD2 2.95Å; K266-D270 VanDerWaalsContact NZ-OD2 3.17Å; K266-D270 WeakPolarHBondContact O-CB 3.35Å; K266-D270 PolarHBondContact O-N 3.35Å; T267-D270 PolarHBondContact O-N 2.7Å; D270-L274 WeakPolarHBondContact O-CB 3.28Å; D270-L274 PolarHBondContact O-N 3.18Å; D270-K392 WeakPolarHBondContact OD2-CE 3.43Å; D270-K392 IonicContact OD2-NZ 2.61Å; D270-K392 PolarHBondContact OD2-NZ 3.41Å |
| 271 | W | 84.9 | Confident | 86.4 | Confident | 116 Ų | 116 | 56 Ų | 56 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 169.8 | -82 | 108 | 0 | 0 | 0 | 112.7 | T267 T268 W269 I273 L274 F275 Y396 | T267-W271 VanDerWaalsContact O-CD1 3.27Å; T267-W271 PolarHBondContact O-N 2.81Å; T267-W271 VanDerWaalsContact O-N 3.1Å; T268-W271 PolarHBondContact O-N 3.1Å; W269-W271 VanDerWaalsContact C-N 3.29Å; W269-W271 PolarHBondContact O-N 3.48Å; W271-I273 VanDerWaalsContact C-N 3.32Å; W271-I273 PolarHBondContact O-N 2.92Å; W271-L274 HydrophobicContact CE3-CD2 3.88Å; W271-L274 HydrophobicContact CZ3-CD2 3.87Å; W271-L274 WeakPolarHBondContact O-CB 3.34Å; W271-L274 PolarHBondContact O-N 2.75Å; W271-F275 HydrophobicContact CE3-CE2 4.1Å; W271-F275 HydrophobicContact CE3-CZ 4.33Å; W271-F275 WeakPolarHBondContact O-CD2 3.34Å; W271-F275 PolarHBondContact O-N 2.97Å; W271-Y396 AromaticContact CH2-CE1 3.66Å; W271-Y396 HydrophobicContact CH2-CE1 3.66Å; W271-Y396 AromaticContact CH2-CZ 3.95Å; W271-Y396 AromaticContact CZ2-CE1 3.57Å; W271-Y396 HydrophobicContact CZ2-CE1 3.57Å; W271-Y396 AromaticContact CZ2-CZ 3.95Å; W271-Y396 WeakPolarHBondContact CZ2-OH 3.26Å; W271-Y396 HydrophobicContact CZ3-CE1 4.48Å |
| 272 | L | 88.9 | Confident | 86.5 | Confident | 76 Ų | 76 | 56 Ų | 56 | 40% | 0.398 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 175.4 | 177.1 | 63.4 | 0 | 0 | 0 | 111.1 | T268 W269 L274 F275 L276 | T268-L272 PolarHBondContact O-N 2.61Å; W269-L272 HydrophobicContact CE3-CD2 4.29Å; W269-L272 HydrophobicContact CZ3-CD2 4.24Å; W269-L272 WeakPolarHBondContact O-CB 3.41Å; W269-L272 PolarHBondContact O-N 2.9Å; W269-L272 VanDerWaalsContact O-N 3.12Å; L272-L274 VanDerWaalsContact C-N 3.32Å; L272-L274 PolarHBondContact O-N 2.81Å; L272-F275 PolarHBondContact O-N 3.31Å; L272-L276 HydrophobicContact CD1-CD1 4.22Å; L272-L276 HydrophobicContact CD1-CG 4.33Å; L272-L276 HydrophobicContact CG-CD1 4.1Å; L272-L276 WeakPolarHBondContact O-CG 3.3Å; L272-L276 PolarHBondContact O-N 2.86Å |
| 273 | I | 86.1 | Confident | 86.5 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.6 | -34.3 | 177.6 | -67.4 | -65.6 | 0 | 0 | 0 | 111.9 | W269 W271 T277 I310 F311 D314 | W269-I273 HydrophobicContact CG-CG1 4.49Å; W269-I273 HydrophobicContact CZ2-CD1 4.13Å; W269-I273 WeakPolarHBondContact O-CG1 3.25Å; W269-I273 PolarHBondContact O-N 2.96Å; W271-I273 VanDerWaalsContact C-N 3.32Å; W271-I273 PolarHBondContact O-N 2.92Å; I273-T277 VanDerWaalsContact O-CB 3.3Å; I273-T277 WeakPolarHBondContact O-CB 3.41Å; I273-T277 PolarHBondContact O-N 3.38Å; I273-T277 PolarHBondContact O-OG1 3Å; I273-I310 HydrophobicContact CD1-CG2 3.94Å; I273-F311 HydrophobicContact CD1-CD1 4.31Å; I273-F311 HydrophobicContact CD1-CE1 4.32Å; I273-F311 HydrophobicContact CG2-CE1 3.96Å; I273-D314 HydrophobicContact CD1-CB 3.81Å; I273-D314 HydrophobicContact CG1-CB 4.43Å |
| 274 | L | 81.5 | Confident | 86.2 | Confident | 44 Ų | 44 | 49.3 Ų | 49.3 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63 | -48.8 | 172.3 | 177.8 | 60.5 | 0 | 0 | 0 | 111.8 | D270 W271 L272 T277 G278 V389 Y396 | D270-L274 WeakPolarHBondContact O-CB 3.28Å; D270-L274 PolarHBondContact O-N 3.18Å; W271-L274 HydrophobicContact CE3-CD2 3.88Å; W271-L274 HydrophobicContact CZ3-CD2 3.87Å; W271-L274 WeakPolarHBondContact O-CB 3.34Å; W271-L274 PolarHBondContact O-N 2.75Å; L272-L274 VanDerWaalsContact C-N 3.32Å; L272-L274 PolarHBondContact O-N 2.81Å; L274-T277 WeakPolarHBondContact O-CB 3.45Å; L274-T277 PolarHBondContact O-N 3.22Å; L274-G278 PolarHBondContact O-N 3.15Å; L274-V389 HydrophobicContact CD1-CB 4.39Å; L274-V389 HydrophobicContact CD1-CG1 4.01Å; L274-V389 HydrophobicContact CD1-CG2 3.67Å; L274-Y396 HydrophobicContact CD2-CE2 4.01Å |
| 275 | F | 85.5 | Confident | 86 | Confident | 142 Ų | 142 | 46.7 Ų | 46.7 | 62% | 0.623 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.8 | -42.9 | 177.5 | -71.6 | -64 | 0 | 0 | 0 | 112.5 | W271 L272 T277 G278 Y279 | W271-F275 HydrophobicContact CE3-CE2 4.1Å; W271-F275 HydrophobicContact CE3-CZ 4.33Å; W271-F275 WeakPolarHBondContact O-CD2 3.34Å; W271-F275 PolarHBondContact O-N 2.97Å; L272-F275 PolarHBondContact O-N 3.31Å; F275-T277 VanDerWaalsContact C-N 3.32Å; F275-T277 PolarHBondContact O-N 3.48Å; F275-G278 PolarHBondContact O-N 3.36Å; F275-Y279 PolarHBondContact O-N 2.79Å |
| 276 | L | 86.3 | Confident | 85.8 | Confident | 27 Ų | 27 | 43.9 Ų | 43.9 | 14% | 0.141 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.7 | -34.2 | 176.3 | -67.7 | 178.1 | 0 | 0 | 0 | 112.5 | L272 Y279 T280 V307 I310 F311 | L272-L276 HydrophobicContact CD1-CD1 4.22Å; L272-L276 HydrophobicContact CD1-CG 4.33Å; L272-L276 HydrophobicContact CG-CD1 4.1Å; L272-L276 WeakPolarHBondContact O-CG 3.3Å; L272-L276 PolarHBondContact O-N 2.86Å; L276-Y279 PolarHBondContact O-N 2.83Å; L276-T280 PolarHBondContact O-N 2.88Å; L276-T280 PolarHBondContact O-OG1 2.81Å; L276-V307 HydrophobicContact CD2-CG2 4.05Å; L276-I310 HydrophobicContact CD1-CB 4.01Å; L276-I310 HydrophobicContact CD1-CD1 3.83Å; L276-I310 HydrophobicContact CD1-CG2 3.52Å; L276-F311 HydrophobicContact CB-CE2 3.95Å; L276-F311 HydrophobicContact CB-CZ 3.93Å |
| 277 | T | 83.4 | Confident | 85.5 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 172.9 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | I273 L274 F275 T280 A281 R385 V389 | I273-T277 VanDerWaalsContact O-CB 3.3Å; I273-T277 WeakPolarHBondContact O-CB 3.41Å; I273-T277 PolarHBondContact O-N 3.38Å; I273-T277 PolarHBondContact O-OG1 3Å; L274-T277 WeakPolarHBondContact O-CB 3.45Å; L274-T277 PolarHBondContact O-N 3.22Å; F275-T277 VanDerWaalsContact C-N 3.32Å; F275-T277 PolarHBondContact O-N 3.48Å; T277-T280 PolarHBondContact O-N 3.26Å; T277-T280 PolarHBondContact O-OG1 3.17Å; T277-A281 WeakPolarHBondContact O-CB 3.44Å; T277-A281 PolarHBondContact O-N 2.68Å; T277-R385 HydrophobicContact CG2-CB 3.88Å; T277-V389 HydrophobicContact CG2-CG2 4.35Å |
| 278 | G | 84.2 | Confident | 85.2 | Confident | 37 Ų | 37 | 45.6 Ų | 45.6 | 38% | 0.381 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58 | -45.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L274 F275 T280 A281 V282 | L274-G278 PolarHBondContact O-N 3.15Å; F275-G278 PolarHBondContact O-N 3.36Å; G278-T280 PolarHBondContact O-N 2.85Å; G278-A281 PolarHBondContact O-N 3.44Å; G278-V282 PolarHBondContact O-N 2.9Å |
| 279 | Y | 88 | Confident | 84.8 | Confident | 55 Ų | 55 | 42 Ų | 42 | 22% | 0.216 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.4 | -50.9 | 172.8 | 167.8 | -91.2 | 0 | 0 | 0 | 111.5 | F275 L276 A281 V282 M283 V303 D304 V307 | F275-Y279 PolarHBondContact O-N 2.79Å; L276-Y279 PolarHBondContact O-N 2.83Å; Y279-A281 VanDerWaalsContact C-N 3.34Å; Y279-A281 PolarHBondContact O-N 3.5Å; Y279-V282 PolarHBondContact O-N 3.29Å; Y279-M283 HydrophobicContact CD2-CG 3.89Å; Y279-M283 HydrophobicContact CE1-CB 4.34Å; Y279-M283 HydrophobicContact CE1-CG 4.22Å; Y279-M283 HydrophobicContact CE2-CB 4.46Å; Y279-M283 HydrophobicContact CE2-CE 4.06Å; Y279-M283 HydrophobicContact CE2-CG 3.51Å; Y279-M283 HydrophobicContact CG-CG 4.41Å; Y279-M283 WeakPolarHBondContact O-CB 3.25Å; Y279-M283 WeakPolarHBondContact O-CG 3.22Å; Y279-M283 PolarHBondContact O-N 3.36Å; Y279-V303 HydrophobicContact CE1-CG1 4.3Å; Y279-V303 HydrophobicContact CE2-CG1 4.26Å; Y279-V303 WeakPolarHBondContact OH-CG1 3.26Å; Y279-D304 PolarHBondContact OH-OD1 2.98Å; Y279-V307 HydrophobicContact CD1-CG1 4.48Å; Y279-V307 HydrophobicContact CD1-CG2 4.13Å; Y279-V307 HydrophobicContact CE1-CG2 4.05Å |
| 280 | T | 84.7 | Confident | 84.4 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.4 | -31.7 | -179.7 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | L276 T277 G278 V282 V284 V307 F311 | L276-T280 PolarHBondContact O-N 2.88Å; L276-T280 PolarHBondContact O-OG1 2.81Å; T277-T280 PolarHBondContact O-N 3.26Å; T277-T280 PolarHBondContact O-OG1 3.17Å; G278-T280 PolarHBondContact O-N 2.85Å; T280-V282 VanDerWaalsContact C-N 3.25Å; T280-V282 PolarHBondContact O-N 3.25Å; T280-V284 VanDerWaalsContact O-CB 3.25Å; T280-V284 WeakPolarHBondContact O-CB 3.43Å; T280-V284 WeakPolarHBondContact O-CG2 3.38Å; T280-V284 PolarHBondContact O-N 3.06Å; T280-V307 HydrophobicContact CG2-CG1 3.75Å; T280-F311 HydrophobicContact CG2-CE2 4.47Å |
| 281 | A | 84.8 | Confident | 83.6 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 5% | 0.05 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.2 | -27.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T277 G278 Y279 P285 L383 L413 W417 | T277-A281 WeakPolarHBondContact O-CB 3.44Å; T277-A281 PolarHBondContact O-N 2.68Å; G278-A281 PolarHBondContact O-N 3.44Å; Y279-A281 VanDerWaalsContact C-N 3.34Å; Y279-A281 PolarHBondContact O-N 3.5Å; A281-P285 WeakPolarHBondContact O-CD 3.44Å; A281-L383 HydrophobicContact CB-CD2 4.34Å; A281-L413 HydrophobicContact CB-CD1 3.85Å; A281-L413 HydrophobicContact CB-CD2 4Å; A281-W417 HydrophobicContact CB-CZ2 4.48Å; A281-W417 PolarHBondContact O-NE1 2.98Å |
| 282 | V | 88.1 | Confident | 82.3 | Confident | 57 Ų | 57 | 40.3 Ų | 40.3 | 35% | 0.345 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -87.4 | -51.5 | 172.7 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | G278 Y279 T280 V284 P285 F286 L413 H416 | G278-V282 PolarHBondContact O-N 2.9Å; Y279-V282 PolarHBondContact O-N 3.29Å; T280-V282 VanDerWaalsContact C-N 3.25Å; T280-V282 PolarHBondContact O-N 3.25Å; V282-V284 PolarHBondContact O-N 3.29Å; V282-P285 WeakPolarHBondContact O-CD 3.36Å; V282-F286 WeakPolarHBondContact O-CB 3.48Å; V282-F286 PolarHBondContact O-N 2.9Å; V282-L413 HydrophobicContact CG2-CD1 3.98Å; V282-H416 WeakPolarHBondContact CA-NE2 3.22Å; V282-H416 WeakPolarHBondContact CG1-NE2 3.48Å; V282-H416 PolarHBondContact O-NE2 3.08Å |
| 283 | M | 85.1 | Confident | 80.8 | Confident | 51 Ų | 51 | 46.1 Ų | 46.1 | 25% | 0.251 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72.7 | -29.6 | -170.6 | -67.9 | -58.7 | -174.4 | 0 | 0 | 114 | Y279 N287 | Y279-M283 HydrophobicContact CD2-CG 3.89Å; Y279-M283 HydrophobicContact CE1-CB 4.34Å; Y279-M283 HydrophobicContact CE1-CG 4.22Å; Y279-M283 HydrophobicContact CE2-CB 4.46Å; Y279-M283 HydrophobicContact CE2-CE 4.06Å; Y279-M283 HydrophobicContact CE2-CG 3.51Å; Y279-M283 HydrophobicContact CG-CG 4.41Å; Y279-M283 WeakPolarHBondContact O-CB 3.25Å; Y279-M283 WeakPolarHBondContact O-CG 3.22Å; Y279-M283 PolarHBondContact O-N 3.36Å; M283-N287 WeakPolarHBondContact O-CB 3.36Å; M283-N287 PolarHBondContact O-N 3.37Å; M283-N287 PolarHBondContact O-ND2 3.47Å |
| 284 | V | 82 | Confident | 79.2 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.1 | -52.2 | -179.9 | 168.1 | 0 | 0 | 0 | 0 | 112.1 | T280 V282 F286 N287 A288 K379 R382 | T280-V284 VanDerWaalsContact O-CB 3.25Å; T280-V284 WeakPolarHBondContact O-CB 3.43Å; T280-V284 WeakPolarHBondContact O-CG2 3.38Å; T280-V284 PolarHBondContact O-N 3.06Å; V282-V284 PolarHBondContact O-N 3.29Å; V284-F286 VanDerWaalsContact C-N 3.32Å; V284-F286 PolarHBondContact O-N 3.27Å; V284-N287 PolarHBondContact O-N 2.87Å; V284-A288 WeakPolarHBondContact O-CB 3.34Å; V284-A288 PolarHBondContact O-N 3.09Å; V284-K379 HydrophobicContact CG1-CB 3.86Å; V284-K379 WeakPolarHBondContact CG1-O 3.38Å; V284-R382 HydrophobicContact CG2-CB 4.28Å |
| 285 | P | 85 | Confident | 77.6 | Confident | 18 Ų | 18 | 55 Ų | 55 | 12% | 0.117 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -37.5 | 174.2 | -25.3 | 36.1 | 0 | 0 | 0 | 113.1 | A281 V282 A288 A289 W417 C420 | A281-P285 WeakPolarHBondContact O-CD 3.44Å; V282-P285 WeakPolarHBondContact O-CD 3.36Å; P285-A288 PolarHBondContact O-N 3.32Å; P285-A289 WeakPolarHBondContact O-CB 3.42Å; P285-A289 PolarHBondContact O-N 3.46Å; P285-W417 HydrophobicContact CG-CG 4.49Å; P285-C420 HydrophobicContact CB-CB 4.07Å |
| 286 | F | 86.5 | Confident | 76.3 | Confident | 59 Ų | 59 | 52.3 Ų | 52.3 | 26% | 0.259 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.4 | -49.6 | 177.1 | -178.1 | -99.3 | 0 | 0 | 0 | 111.6 | V282 V284 A288 A289 F290 H416 Y470 | V282-F286 WeakPolarHBondContact O-CB 3.48Å; V282-F286 PolarHBondContact O-N 2.9Å; V284-F286 VanDerWaalsContact C-N 3.32Å; V284-F286 PolarHBondContact O-N 3.27Å; F286-A288 VanDerWaalsContact C-N 3.27Å; F286-A288 PolarHBondContact O-N 2.76Å; F286-A289 PolarHBondContact O-N 2.86Å; F286-F290 HydrophobicContact CD2-CB 4.45Å; F286-F290 AromaticContact CD2-CD2 3.62Å; F286-F290 HydrophobicContact CD2-CD2 3.62Å; F286-F290 HydrophobicContact CD2-CE2 4.23Å; F286-F290 HydrophobicContact CD2-CG 4.25Å; F286-F290 HydrophobicContact CE2-CB 4.16Å; F286-F290 AromaticContact CE2-CD2 3.86Å; F286-F290 HydrophobicContact CE2-CD2 3.86Å; F286-F290 HydrophobicContact CE2-CG 4.05Å; F286-F290 HydrophobicContact CG-CD2 4.36Å; F286-F290 HydrophobicContact CZ-CB 4.28Å; F286-F290 PolarHBondContact O-N 3.43Å; F286-H416 WeakPolarHBondContact CB-CE1 3.32Å; F286-H416 AromaticContact CD2-CE1 3.34Å; F286-H416 WeakPolarHBondContact CD2-CE1 3.46Å; F286-H416 AromaticContact CG-CE1 3.7Å; F286-H416 PolarHBondContact N-NE2 3.18Å; F286-Y470 AromaticContact CD2-CD2 3.96Å; F286-Y470 HydrophobicContact CD2-CD2 3.96Å; F286-Y470 HydrophobicContact CD2-CE2 4.06Å; F286-Y470 AromaticContact CE2-CD2 3.89Å; F286-Y470 HydrophobicContact CE2-CD2 3.89Å; F286-Y470 HydrophobicContact CE2-CE2 4.32Å; F286-Y470 HydrophobicContact CE2-CG 4.04Å |
| 287 | N | 80.5 | Confident | 75.3 | Confident | 30 Ų | 30 | 52.8 Ų | 52.8 | 16% | 0.16 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68 | -23.9 | 177.4 | -72.7 | -23 | 0 | 0 | 0 | 113.1 | M283 V284 K291 | M283-N287 WeakPolarHBondContact O-CB 3.36Å; M283-N287 PolarHBondContact O-N 3.37Å; M283-N287 PolarHBondContact O-ND2 3.47Å; V284-N287 PolarHBondContact O-N 2.87Å; N287-K291 WeakPolarHBondContact O-CB 3.31Å |
| 288 | A | 78.5 | Confident | 74.8 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 55% | 0.554 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -77 | -34.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V284 P285 F286 | V284-A288 WeakPolarHBondContact O-CB 3.34Å; V284-A288 PolarHBondContact O-N 3.09Å; P285-A288 PolarHBondContact O-N 3.32Å; F286-A288 VanDerWaalsContact C-N 3.27Å; F286-A288 PolarHBondContact O-N 2.76Å |
| 289 | A | 82.7 | Confident | 74.4 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -91.9 | -43.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P285 F286 C420 Y423 | P285-A289 WeakPolarHBondContact O-CB 3.42Å; P285-A289 PolarHBondContact O-N 3.46Å; F286-A289 PolarHBondContact O-N 2.86Å; A289-C420 HydrophobicContact CB-CB 3.84Å; A289-C420 WeakPolarHBondContact CB-O 3.43Å; A289-Y423 HydrophobicContact CB-CD1 4.31Å; A289-Y423 WeakPolarHBondContact O-CD1 3.37Å; A289-Y423 VanDerWaalsContact O-CE1 3.26Å; A289-Y423 WeakPolarHBondContact O-CE1 3.28Å |
| 290 | F | 81.8 | Confident | 73.9 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -105.8 | 0.5 | -165.9 | -65.7 | -85.3 | 0 | 0 | 0 | 115.3 | F286 S292 C420 Y423 Y470 | F286-F290 HydrophobicContact CD2-CB 4.45Å; F286-F290 AromaticContact CD2-CD2 3.62Å; F286-F290 HydrophobicContact CD2-CD2 3.62Å; F286-F290 HydrophobicContact CD2-CE2 4.23Å; F286-F290 HydrophobicContact CD2-CG 4.25Å; F286-F290 HydrophobicContact CE2-CB 4.16Å; F286-F290 AromaticContact CE2-CD2 3.86Å; F286-F290 HydrophobicContact CE2-CD2 3.86Å; F286-F290 HydrophobicContact CE2-CG 4.05Å; F286-F290 HydrophobicContact CG-CD2 4.36Å; F286-F290 HydrophobicContact CZ-CB 4.28Å; F286-F290 PolarHBondContact O-N 3.43Å; F290-S292 PolarHBondContact O-N 2.91Å; F290-S292 VanDerWaalsContact O-N 3.15Å; F290-C420 HydrophobicContact CE2-CB 4.46Å; F290-Y423 AromaticContact CD1-CD1 3.68Å; F290-Y423 HydrophobicContact CD1-CD1 3.68Å; F290-Y423 HydrophobicContact CD1-CD2 4.28Å; F290-Y423 AromaticContact CD1-CE1 3.76Å; F290-Y423 HydrophobicContact CD1-CE1 3.76Å; F290-Y423 HydrophobicContact CD1-CE2 4.36Å; F290-Y423 AromaticContact CD1-CG 3.95Å; F290-Y423 HydrophobicContact CD1-CG 3.95Å; F290-Y423 AromaticContact CE1-CD1 3.53Å; F290-Y423 HydrophobicContact CE1-CD1 3.53Å; F290-Y423 AromaticContact CE1-CD2 3.57Å; F290-Y423 HydrophobicContact CE1-CD2 3.57Å; F290-Y423 AromaticContact CE1-CE1 3.99Å; F290-Y423 HydrophobicContact CE1-CE1 3.99Å; F290-Y423 HydrophobicContact CE1-CE2 4.03Å; F290-Y423 AromaticContact CE1-CG 3.3Å; F290-Y423 HydrophobicContact CE1-CG 3.3Å; F290-Y423 HydrophobicContact CE2-CD1 4.44Å; F290-Y423 HydrophobicContact CE2-CG 4.44Å; F290-Y423 HydrophobicContact CG-CD1 4.2Å; F290-Y423 HydrophobicContact CG-CE1 4.39Å; F290-Y423 AromaticContact CZ-CD1 3.94Å; F290-Y423 HydrophobicContact CZ-CD1 3.94Å; F290-Y423 HydrophobicContact CZ-CD2 4.19Å; F290-Y423 AromaticContact CZ-CG 3.59Å; F290-Y423 HydrophobicContact CZ-CG 3.59Å; F290-Y470 HydrophobicContact CD2-CD2 4.38Å; F290-Y470 AromaticContact CE2-CD2 3.73Å; F290-Y470 HydrophobicContact CE2-CD2 3.73Å; F290-Y470 AromaticContact CZ-CD2 3.81Å; F290-Y470 HydrophobicContact CZ-CD2 3.81Å; F290-Y470 HydrophobicContact CZ-CG 4.42Å |
| 291 | K | 67.8 | Low | 73.5 | Confident | 93 Ų | 93 | 64.5 Ų | 64.5 | 40% | 0.404 | 35% | 0.349 | S | S | . | . | trans | -79.8 | 100.7 | -170.4 | -170.3 | 174.2 | -175.7 | -178.8 | 0 | 113.7 | N287 D297 | N287-K291 WeakPolarHBondContact O-CB 3.31Å; K291-D297 WeakPolarHBondContact CE-OD1 3.23Å; K291-D297 WeakPolarHBondContact CE-OD2 3.35Å; K291-D297 IonicContact NZ-OD1 3.01Å; K291-D297 IonicContact NZ-OD2 2.66Å; K291-D297 PolarHBondContact NZ-OD2 2.84Å | ||
| 292 | S | 56.5 | Low | 73.5 | Confident | 36 Ų | 36 | 67.9 Ų | 67.9 | 25% | 0.252 | 37% | 0.369 | S | S | . | . | trans | -73.3 | 143.9 | 160.3 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | F290 T294 R466 | F290-S292 PolarHBondContact O-N 2.91Å; F290-S292 VanDerWaalsContact O-N 3.15Å; S292-T294 VanDerWaalsContact C-N 3.34Å; S292-T294 PolarHBondContact O-N 3.3Å; S292-T294 PolarHBondContact O-OG1 3.12Å; S292-T294 VanDerWaalsContact O-OG1 3.05Å; S292-T294 PolarHBondContact OG-OG1 3.4Å; S292-R466 PolarHBondContact OG-NH1 3Å | ||
| 293 | K | 57.4 | Low | 73.3 | Confident | 198 Ų | 198 | 68 Ų | 68 | 86% | 0.861 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -69.1 | 82.3 | 175 | -65.2 | -175.7 | 176.7 | -171.8 | 0 | 111.4 | ||
| 294 | T | 53.8 | Low | 73.2 | Confident | 54 Ų | 54 | 65.8 Ų | 65.8 | 33% | 0.331 | 36% | 0.359 | S | S | . | . | trans | -132.1 | 149 | -171.5 | 41.5 | 0 | 0 | 0 | 0 | 111.3 | S292 D296 D297 R466 | S292-T294 VanDerWaalsContact C-N 3.34Å; S292-T294 PolarHBondContact O-N 3.3Å; S292-T294 PolarHBondContact O-OG1 3.12Å; S292-T294 VanDerWaalsContact O-OG1 3.05Å; S292-T294 PolarHBondContact OG-OG1 3.4Å; T294-D296 PolarHBondContact O-N 3.5Å; T294-D297 WeakPolarHBondContact O-CB 3.17Å; T294-D297 PolarHBondContact O-N 3.35Å; T294-D297 VanDerWaalsContact O-OD1 3.11Å; T294-R466 PolarHBondContact OG1-NH1 2.79Å | ||
| 295 | M | 46.8 | Very low | 73.2 | Confident | 183 Ų | 183 | 67.3 Ų | 67.3 | 90% | 0.901 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -16.2 | -169 | -66.5 | -176.8 | 72.4 | 0 | 0 | 115.6 | D297 | M295-D297 PolarHBondContact O-N 3.27Å; M295-D297 VanDerWaalsContact O-N 3.12Å |
| 296 | D | 58.5 | Low | 73.4 | Confident | 84 Ų | 84 | 71.1 Ų | 71.1 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -27.2 | 167.6 | -53 | -27.4 | 0 | 0 | 0 | 113.2 | T294 V298 S299 R466 | T294-D296 PolarHBondContact O-N 3.5Å; D296-V298 PolarHBondContact O-N 3.09Å; D296-S299 PolarHBondContact O-N 3.31Å; D296-R466 IonicContact OD2-CZ 3.25Å; D296-R466 IonicContact OD2-NH1 2.77Å; D296-R466 IonicContact OD2-NH2 2.84Å; D296-R466 PolarHBondContact OD2-NH2 3.27Å |
| 297 | D | 64.6 | Low | 73.5 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 20% | 0.198 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -54 | -29.7 | -171.7 | -75.2 | -2.2 | 0 | 0 | 0 | 114.5 | K291 T294 M295 L301 | K291-D297 WeakPolarHBondContact CE-OD1 3.23Å; K291-D297 WeakPolarHBondContact CE-OD2 3.35Å; K291-D297 IonicContact NZ-OD1 3.01Å; K291-D297 IonicContact NZ-OD2 2.66Å; K291-D297 PolarHBondContact NZ-OD2 2.84Å; T294-D297 WeakPolarHBondContact O-CB 3.17Å; T294-D297 PolarHBondContact O-N 3.35Å; T294-D297 VanDerWaalsContact O-OD1 3.11Å; M295-D297 PolarHBondContact O-N 3.27Å; M295-D297 VanDerWaalsContact O-N 3.12Å; D297-L301 WeakPolarHBondContact O-CB 3.34Å; D297-L301 PolarHBondContact O-N 2.84Å; D297-L301 VanDerWaalsContact O-N 3.11Å |
| 298 | V | 73.7 | Confident | 73.8 | Confident | 98 Ų | 98 | 67.6 Ų | 67.6 | 59% | 0.594 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -70 | -42.2 | -174.1 | -175 | 0 | 0 | 0 | 0 | 111.7 | D296 F300 L301 V302 | D296-V298 PolarHBondContact O-N 3.09Å; V298-F300 PolarHBondContact O-N 3.06Å; V298-L301 PolarHBondContact O-N 3.48Å; V298-V302 WeakPolarHBondContact O-CG2 3.26Å; V298-V302 PolarHBondContact O-N 2.89Å |
| 299 | S | 76.8 | Confident | 74.3 | Confident | 84 Ų | 84 | 68.5 Ų | 68.5 | 59% | 0.587 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.9 | -40.9 | -178 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | D296 V302 V303 | D296-S299 PolarHBondContact O-N 3.31Å; S299-V302 PolarHBondContact O-N 2.92Å; S299-V303 WeakPolarHBondContact O-CG2 3.48Å; S299-V303 PolarHBondContact O-N 3.39Å |
| 300 | F | 77.6 | Confident | 74.7 | Confident | 101 Ų | 101 | 69.2 Ų | 69.2 | 44% | 0.443 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69 | -35.4 | 175.3 | -68 | -75.7 | 0 | 0 | 0 | 112.3 | V298 V303 D304 | V298-F300 PolarHBondContact O-N 3.06Å; F300-V303 PolarHBondContact O-N 3.07Å; F300-D304 WeakPolarHBondContact O-CB 3.25Å; F300-D304 PolarHBondContact O-N 3.46Å |
| 301 | L | 76.2 | Confident | 75 | Confident | 63 Ų | 63 | 68.7 Ų | 68.7 | 33% | 0.33 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 174.8 | -173.1 | 152.5 | 0 | 0 | 0 | 112 | D297 V298 S305 D357 | D297-L301 WeakPolarHBondContact O-CB 3.34Å; D297-L301 PolarHBondContact O-N 2.84Å; D297-L301 VanDerWaalsContact O-N 3.11Å; V298-L301 PolarHBondContact O-N 3.48Å; L301-S305 WeakPolarHBondContact O-CB 3.22Å; L301-S305 PolarHBondContact O-N 3.41Å; L301-S305 PolarHBondContact O-OG 3.14Å; L301-D357 HydrophobicContact CD1-CB 4.34Å; L301-D357 HydrophobicContact CG-CB 4.45Å |
| 302 | V | 83.7 | Confident | 76 | Confident | 77 Ų | 77 | 70.2 Ų | 70.2 | 47% | 0.467 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 174.1 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | V298 S299 S305 I306 | V298-V302 WeakPolarHBondContact O-CG2 3.26Å; V298-V302 PolarHBondContact O-N 2.89Å; S299-V302 PolarHBondContact O-N 2.92Å; V302-S305 PolarHBondContact O-N 3.44Å; V302-I306 HydrophobicContact CG1-CD1 3.97Å; V302-I306 WeakPolarHBondContact O-CG1 3.43Å; V302-I306 PolarHBondContact O-N 2.97Å |
| 303 | V | 84.5 | Confident | 77.7 | Confident | 61 Ų | 61 | 72 Ų | 72 | 37% | 0.37 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.1 | -50.6 | 176.2 | 178 | 0 | 0 | 0 | 0 | 111.2 | Y279 S299 F300 S305 I306 V307 | Y279-V303 HydrophobicContact CE1-CG1 4.3Å; Y279-V303 HydrophobicContact CE2-CG1 4.26Å; Y279-V303 WeakPolarHBondContact OH-CG1 3.26Å; S299-V303 WeakPolarHBondContact O-CG2 3.48Å; S299-V303 PolarHBondContact O-N 3.39Å; F300-V303 PolarHBondContact O-N 3.07Å; V303-S305 PolarHBondContact O-N 3.27Å; V303-I306 PolarHBondContact O-N 3.04Å; V303-I306 VanDerWaalsContact O-N 3.11Å; V303-V307 HydrophobicContact CG1-CG2 4.34Å; V303-V307 WeakPolarHBondContact O-CG2 3.3Å; V303-V307 PolarHBondContact O-N 3.21Å |
| 304 | D | 82.1 | Confident | 79.3 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -53.6 | -38.6 | 175.5 | -95.6 | 22.2 | 0 | 0 | 0 | 111.5 | Y279 F300 V307 D308 K379 R382 | Y279-D304 PolarHBondContact OH-OD1 2.98Å; F300-D304 WeakPolarHBondContact O-CB 3.25Å; F300-D304 PolarHBondContact O-N 3.46Å; D304-V307 PolarHBondContact O-N 3.42Å; D304-D308 PolarHBondContact O-N 2.9Å; D304-K379 IonicContact OD2-NZ 2.78Å; D304-R382 IonicContact OD2-CZ 2.65Å; D304-R382 IonicContact OD2-NH1 3.86Å; D304-R382 PolarHBondContact OD2-NH1 3.33Å |
| 305 | S | 83.1 | Confident | 81.1 | Confident | 35 Ų | 35 | 60.5 Ų | 60.5 | 25% | 0.245 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.9 | -42.3 | 178.4 | -58 | 0 | 0 | 0 | 0 | 112.7 | L301 V302 V303 V307 D308 V309 | L301-S305 WeakPolarHBondContact O-CB 3.22Å; L301-S305 PolarHBondContact O-N 3.41Å; L301-S305 PolarHBondContact O-OG 3.14Å; V302-S305 PolarHBondContact O-N 3.44Å; V303-S305 PolarHBondContact O-N 3.27Å; S305-V307 VanDerWaalsContact C-N 3.31Å; S305-V307 PolarHBondContact O-N 3.29Å; S305-D308 PolarHBondContact O-N 2.93Å; S305-V309 WeakPolarHBondContact O-CG2 3.49Å; S305-V309 PolarHBondContact O-N 2.88Å; S305-V309 VanDerWaalsContact O-N 3.07Å |
| 306 | I | 88.8 | Confident | 83.3 | Confident | 98 Ų | 98 | 55 Ų | 55 | 50% | 0.503 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 174.3 | -68.9 | 163.8 | 0 | 0 | 0 | 110.1 | V302 V303 V309 I310 | V302-I306 HydrophobicContact CG1-CD1 3.97Å; V302-I306 WeakPolarHBondContact O-CG1 3.43Å; V302-I306 PolarHBondContact O-N 2.97Å; V303-I306 PolarHBondContact O-N 3.04Å; V303-I306 VanDerWaalsContact O-N 3.11Å; I306-V309 PolarHBondContact O-N 2.75Å; I306-I310 HydrophobicContact CG2-CD1 4.17Å; I306-I310 WeakPolarHBondContact O-CG1 3.49Å; I306-I310 PolarHBondContact O-N 3.2Å; I306-I310 VanDerWaalsContact O-N 3.08Å |
| 307 | V | 88 | Confident | 84.8 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 178.1 | 173.6 | 0 | 0 | 0 | 0 | 111 | L276 Y279 T280 V303 D304 S305 V309 I310 F311 | L276-V307 HydrophobicContact CD2-CG2 4.05Å; Y279-V307 HydrophobicContact CD1-CG1 4.48Å; Y279-V307 HydrophobicContact CD1-CG2 4.13Å; Y279-V307 HydrophobicContact CE1-CG2 4.05Å; T280-V307 HydrophobicContact CG2-CG1 3.75Å; V303-V307 HydrophobicContact CG1-CG2 4.34Å; V303-V307 WeakPolarHBondContact O-CG2 3.3Å; V303-V307 PolarHBondContact O-N 3.21Å; D304-V307 PolarHBondContact O-N 3.42Å; S305-V307 VanDerWaalsContact C-N 3.31Å; S305-V307 PolarHBondContact O-N 3.29Å; V307-V309 VanDerWaalsContact C-N 3.31Å; V307-V309 PolarHBondContact O-N 3.21Å; V307-I310 PolarHBondContact O-N 3.3Å; V307-I310 VanDerWaalsContact O-N 3.14Å; V307-F311 HydrophobicContact CG1-CD2 3.76Å; V307-F311 HydrophobicContact CG1-CE2 3.53Å; V307-F311 WeakPolarHBondContact O-CD2 3.34Å; V307-F311 PolarHBondContact O-N 2.78Å |
| 308 | D | 86.5 | Confident | 86 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.043 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.2 | -34.2 | 177.2 | -75.7 | -6.8 | 0 | 0 | 0 | 112.6 | D304 S305 F311 F312 R382 R385 | D304-D308 PolarHBondContact O-N 2.9Å; S305-D308 PolarHBondContact O-N 2.93Å; D308-F311 PolarHBondContact O-N 3.38Å; D308-F312 PolarHBondContact O-N 3.13Å; D308-R382 IonicContact OD1-CZ 3.78Å; D308-R382 IonicContact OD1-NE 3.31Å; D308-R382 PolarHBondContact OD1-NE 3.29Å; D308-R382 IonicContact OD2-CZ 2.74Å; D308-R382 VanDerWaalsContact OD2-CZ 3.31Å; D308-R382 IonicContact OD2-NE 3.36Å; D308-R382 PolarHBondContact OD2-NE 3.28Å; D308-R382 IonicContact OD2-NH2 3.48Å; D308-R382 PolarHBondContact OD2-NH2 3.09Å; D308-R385 IonicContact OD1-CZ 3.63Å; D308-R385 IonicContact OD1-NH1 3.62Å; D308-R385 PolarHBondContact OD1-NH1 2.98Å; D308-R385 IonicContact OD1-NH2 2.69Å; D308-R385 PolarHBondContact OD1-NH2 3.43Å |
| 309 | V | 89 | Confident | 86.9 | Confident | 86 Ų | 86 | 49.1 Ų | 49.1 | 52% | 0.521 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 171.5 | 169.2 | 0 | 0 | 0 | 0 | 112.1 | S305 I306 V307 F311 F312 I313 | S305-V309 WeakPolarHBondContact O-CG2 3.49Å; S305-V309 PolarHBondContact O-N 2.88Å; S305-V309 VanDerWaalsContact O-N 3.07Å; I306-V309 PolarHBondContact O-N 2.75Å; V307-V309 VanDerWaalsContact C-N 3.31Å; V307-V309 PolarHBondContact O-N 3.21Å; V309-F311 VanDerWaalsContact C-N 3.34Å; V309-F311 PolarHBondContact O-N 2.83Å; V309-F312 WeakPolarHBondContact O-CB 3.39Å; V309-F312 PolarHBondContact O-N 3.47Å; V309-I313 HydrophobicContact CG1-CD1 4.21Å; V309-I313 WeakPolarHBondContact O-CG1 3.44Å; V309-I313 PolarHBondContact O-N 3.04Å |
| 310 | I | 91.1 | Very high | 87.6 | Confident | 37 Ų | 37 | 47.4 Ų | 47.4 | 19% | 0.19 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.4 | -39 | 176.6 | -64.1 | 165.7 | 0 | 0 | 0 | 110.8 | W269 I273 L276 I306 V307 F312 I313 D314 | W269-I310 HydrophobicContact CH2-CG2 3.89Å; W269-I310 HydrophobicContact CZ2-CG2 4.01Å; I273-I310 HydrophobicContact CD1-CG2 3.94Å; L276-I310 HydrophobicContact CD1-CB 4.01Å; L276-I310 HydrophobicContact CD1-CD1 3.83Å; L276-I310 HydrophobicContact CD1-CG2 3.52Å; I306-I310 HydrophobicContact CG2-CD1 4.17Å; I306-I310 WeakPolarHBondContact O-CG1 3.49Å; I306-I310 PolarHBondContact O-N 3.2Å; I306-I310 VanDerWaalsContact O-N 3.08Å; V307-I310 PolarHBondContact O-N 3.3Å; V307-I310 VanDerWaalsContact O-N 3.14Å; I310-F312 VanDerWaalsContact C-N 3.32Å; I310-F312 PolarHBondContact O-N 3.29Å; I310-I313 PolarHBondContact O-N 3.49Å; I310-D314 PolarHBondContact O-N 2.78Å |
| 311 | F | 88.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.4 | -28.5 | 173.8 | -78.5 | -71.1 | 0 | 0 | 0 | 113.6 | I273 L276 T280 V307 D308 V309 I315 R385 | I273-F311 HydrophobicContact CD1-CD1 4.31Å; I273-F311 HydrophobicContact CD1-CE1 4.32Å; I273-F311 HydrophobicContact CG2-CE1 3.96Å; L276-F311 HydrophobicContact CB-CE2 3.95Å; L276-F311 HydrophobicContact CB-CZ 3.93Å; T280-F311 HydrophobicContact CG2-CE2 4.47Å; V307-F311 HydrophobicContact CG1-CD2 3.76Å; V307-F311 HydrophobicContact CG1-CE2 3.53Å; V307-F311 WeakPolarHBondContact O-CD2 3.34Å; V307-F311 PolarHBondContact O-N 2.78Å; D308-F311 PolarHBondContact O-N 3.38Å; V309-F311 VanDerWaalsContact C-N 3.34Å; V309-F311 PolarHBondContact O-N 2.83Å; F311-I315 WeakPolarHBondContact O-CG1 3.43Å; F311-I315 PolarHBondContact O-N 2.85Å; F311-R385 HydrophobicContact CD1-CG 4.48Å; F311-R385 HydrophobicContact CE1-CB 4.47Å; F311-R385 HydrophobicContact CE1-CG 4.22Å; F311-R385 VanDerWaalsContact CE2-NH1 3.25Å |
| 312 | F | 89.6 | Confident | 89 | Confident | 124 Ų | 124 | 40.5 Ų | 40.5 | 54% | 0.544 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.6 | -42.8 | 169.9 | -179.1 | -97.1 | 0 | 0 | 0 | 111.9 | D308 V309 I310 D314 I315 V316 | D308-F312 PolarHBondContact O-N 3.13Å; V309-F312 WeakPolarHBondContact O-CB 3.39Å; V309-F312 PolarHBondContact O-N 3.47Å; I310-F312 VanDerWaalsContact C-N 3.32Å; I310-F312 PolarHBondContact O-N 3.29Å; F312-D314 VanDerWaalsContact C-N 3.28Å; F312-D314 PolarHBondContact O-N 2.87Å; F312-I315 WeakPolarHBondContact O-CB 3.22Å; F312-I315 PolarHBondContact O-N 3.31Å; F312-V316 HydrophobicContact CE1-CG2 4.25Å; F312-V316 PolarHBondContact O-N 3.23Å |
| 313 | I | 92.3 | Very high | 89.2 | Confident | 73 Ų | 73 | 39.1 Ų | 39.1 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.4 | -39.6 | 174.4 | -66.1 | 166.3 | 0 | 0 | 0 | 110.8 | W269 V309 I310 I315 V316 L317 | W269-I313 HydrophobicContact CH2-CB 4.23Å; W269-I313 HydrophobicContact CH2-CG2 3.66Å; W269-I313 HydrophobicContact CZ2-CB 4.28Å; W269-I313 HydrophobicContact CZ2-CG2 3.85Å; V309-I313 HydrophobicContact CG1-CD1 4.21Å; V309-I313 WeakPolarHBondContact O-CG1 3.44Å; V309-I313 PolarHBondContact O-N 3.04Å; I310-I313 PolarHBondContact O-N 3.49Å; I313-I315 VanDerWaalsContact C-N 3.32Å; I313-I315 PolarHBondContact O-N 3.32Å; I313-V316 WeakPolarHBondContact O-CB 3.37Å; I313-V316 PolarHBondContact O-N 3.22Å; I313-V316 VanDerWaalsContact O-N 3.12Å; I313-L317 HydrophobicContact CG2-CD1 3.91Å; I313-L317 HydrophobicContact CG2-CG 4.27Å; I313-L317 WeakPolarHBondContact O-CG 3.41Å; I313-L317 PolarHBondContact O-N 2.84Å |
| 314 | D | 90.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.011 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.5 | -39.8 | 175.5 | -174.9 | 68.3 | 0 | 0 | 0 | 113 | W269 I273 I310 F312 V316 L317 N318 R388 | W269-D314 HydrophobicContact CZ2-CB 4.29Å; W269-D314 PolarHBondContact NE1-OD1 2.91Å; I273-D314 HydrophobicContact CD1-CB 3.81Å; I273-D314 HydrophobicContact CG1-CB 4.43Å; I310-D314 PolarHBondContact O-N 2.78Å; F312-D314 VanDerWaalsContact C-N 3.28Å; F312-D314 PolarHBondContact O-N 2.87Å; D314-V316 VanDerWaalsContact C-N 3.33Å; D314-V316 PolarHBondContact O-N 3.4Å; D314-L317 PolarHBondContact O-N 3.28Å; D314-N318 WeakPolarHBondContact O-CB 3.15Å; D314-N318 VanDerWaalsContact O-CG 3.22Å; D314-N318 PolarHBondContact O-N 2.68Å; D314-N318 PolarHBondContact O-ND2 2.95Å; D314-N318 VanDerWaalsContact O-ND2 3.15Å; D314-N318 PolarHBondContact OD2-ND2 3.48Å; D314-R388 IonicContact OD2-CZ 2.73Å; D314-R388 IonicContact OD2-NE 3.02Å; D314-R388 PolarHBondContact OD2-NE 2.97Å; D314-R388 IonicContact OD2-NH2 2.62Å; D314-R388 PolarHBondContact OD2-NH2 3.02Å |
| 315 | I | 90.6 | Very high | 89.3 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.046 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 175.5 | -66.1 | 166.2 | 0 | 0 | 0 | 110.7 | F311 F312 I313 N318 F319 Y341 F346 D349 V350 C353 | F311-I315 WeakPolarHBondContact O-CG1 3.43Å; F311-I315 PolarHBondContact O-N 2.85Å; F312-I315 WeakPolarHBondContact O-CB 3.22Å; F312-I315 PolarHBondContact O-N 3.31Å; I313-I315 VanDerWaalsContact C-N 3.32Å; I313-I315 PolarHBondContact O-N 3.32Å; I315-N318 PolarHBondContact O-N 3.26Å; I315-F319 HydrophobicContact CG2-CD2 4.13Å; I315-F319 HydrophobicContact CG2-CE2 3.89Å; I315-F319 WeakPolarHBondContact O-CD2 3.31Å; I315-F319 PolarHBondContact O-N 2.75Å; I315-Y341 HydrophobicContact CG2-CE1 4.25Å; I315-F346 HydrophobicContact CG2-CD2 4.33Å; I315-F346 HydrophobicContact CG2-CE2 4.25Å; I315-D349 HydrophobicContact CD1-CB 4.4Å; I315-D349 HydrophobicContact CG1-CB 4.1Å; I315-V350 HydrophobicContact CD1-CG2 4.14Å; I315-C353 HydrophobicContact CD1-CB 3.84Å; I315-C353 VanDerWaalsContact CD1-SG 3.51Å |
| 316 | V | 92.8 | Very high | 89.3 | Confident | 69 Ų | 69 | 44.6 Ų | 44.6 | 42% | 0.418 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.6 | -37.7 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 111.5 | F312 I313 D314 H320 | F312-V316 HydrophobicContact CE1-CG2 4.25Å; F312-V316 PolarHBondContact O-N 3.23Å; I313-V316 WeakPolarHBondContact O-CB 3.37Å; I313-V316 PolarHBondContact O-N 3.22Å; I313-V316 VanDerWaalsContact O-N 3.12Å; D314-V316 VanDerWaalsContact C-N 3.33Å; D314-V316 PolarHBondContact O-N 3.4Å; V316-H320 PolarHBondContact O-ND1 3.02Å |
| 317 | L | 91.3 | Very high | 88.9 | Confident | 30 Ų | 30 | 46.2 Ų | 46.2 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.8 | -38.2 | 176.3 | -69.2 | 170.4 | 0 | 0 | 0 | 112.4 | I259 W269 I313 D314 F319 H320 T321 | I259-L317 HydrophobicContact CD1-CD2 3.66Å; W269-L317 HydrophobicContact CD2-CD1 3.77Å; W269-L317 VanDerWaalsContact CE2-CD1 3.41Å; W269-L317 HydrophobicContact CE3-CD1 4.25Å; W269-L317 HydrophobicContact CG-CD1 4.27Å; W269-L317 HydrophobicContact CH2-CD1 4.14Å; W269-L317 HydrophobicContact CZ2-CD1 3.64Å; W269-L317 HydrophobicContact CZ3-CD1 4.42Å; I313-L317 HydrophobicContact CG2-CD1 3.91Å; I313-L317 HydrophobicContact CG2-CG 4.27Å; I313-L317 WeakPolarHBondContact O-CG 3.41Å; I313-L317 PolarHBondContact O-N 2.84Å; D314-L317 PolarHBondContact O-N 3.28Å; L317-F319 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 3.08Å; L317-H320 CarbonylContact O-C 3.59Å; L317-H320 WeakPolarHBondContact O-CA 3.19Å; L317-H320 PolarHBondContact O-N 3.37Å; L317-T321 PolarHBondContact O-N 2.77Å; L317-T321 PolarHBondContact O-OG1 2.83Å |
| 318 | N | 89.2 | Confident | 88.3 | Confident | 23 Ų | 23 | 48.5 Ų | 48.5 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -35.1 | 176.2 | -71.2 | -32.4 | 0 | 0 | 0 | 111.8 | D314 I315 H320 T321 Y341 | D314-N318 WeakPolarHBondContact O-CB 3.15Å; D314-N318 VanDerWaalsContact O-CG 3.22Å; D314-N318 PolarHBondContact O-N 2.68Å; D314-N318 PolarHBondContact O-ND2 2.95Å; D314-N318 VanDerWaalsContact O-ND2 3.15Å; D314-N318 PolarHBondContact OD2-ND2 3.48Å; I315-N318 PolarHBondContact O-N 3.26Å; N318-H320 PolarHBondContact O-N 2.87Å; N318-H320 VanDerWaalsContact O-N 3.16Å; N318-T321 PolarHBondContact O-N 3.45Å; N318-Y341 HydrophobicContact CB-CD1 4.44Å; N318-Y341 HydrophobicContact CB-CD2 4.38Å; N318-Y341 HydrophobicContact CB-CE1 3.88Å; N318-Y341 HydrophobicContact CB-CE2 3.83Å; N318-Y341 PolarHBondContact ND2-OH 3.2Å |
| 319 | F | 92.2 | Very high | 88.2 | Confident | 41 Ų | 41 | 53.1 Ų | 53.1 | 18% | 0.18 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -12.9 | 170.2 | -83.7 | -58.7 | 0 | 0 | 0 | 115.3 | I315 L317 R338 Y341 L342 F346 | I315-F319 HydrophobicContact CG2-CD2 4.13Å; I315-F319 HydrophobicContact CG2-CE2 3.89Å; I315-F319 WeakPolarHBondContact O-CD2 3.31Å; I315-F319 PolarHBondContact O-N 2.75Å; L317-F319 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 3.08Å; F319-R338 HydrophobicContact CD1-CB 4.19Å; F319-R338 HydrophobicContact CD1-CG 3.81Å; F319-R338 HydrophobicContact CE1-CB 4.5Å; F319-Y341 AromaticContact CD1-CD1 3.64Å; F319-Y341 HydrophobicContact CD1-CD1 3.64Å; F319-Y341 HydrophobicContact CD1-CE1 4.26Å; F319-Y341 HydrophobicContact CD2-CD1 4.28Å; F319-Y341 HydrophobicContact CD2-CE1 4.07Å; F319-Y341 AromaticContact CE1-CD1 3.65Å; F319-Y341 HydrophobicContact CE1-CD1 3.65Å; F319-Y341 HydrophobicContact CE1-CE1 4.26Å; F319-Y341 HydrophobicContact CE2-CD1 4.27Å; F319-Y341 HydrophobicContact CE2-CE1 4.05Å; F319-Y341 AromaticContact CG-CD1 3.98Å; F319-Y341 HydrophobicContact CG-CD1 3.98Å; F319-Y341 HydrophobicContact CG-CE1 4.18Å; F319-Y341 AromaticContact CZ-CD1 3.98Å; F319-Y341 HydrophobicContact CZ-CD1 3.98Å; F319-Y341 HydrophobicContact CZ-CE1 4.16Å; F319-L342 HydrophobicContact CE1-CD2 3.97Å; F319-L342 HydrophobicContact CE1-CG 3.99Å; F319-L342 HydrophobicContact CZ-CD2 3.89Å; F319-L342 HydrophobicContact CZ-CG 4.43Å; F319-F346 HydrophobicContact CE1-CD2 4.43Å; F319-F346 AromaticContact CE2-CD2 3.8Å; F319-F346 HydrophobicContact CE2-CD2 3.8Å; F319-F346 AromaticContact CE2-CE2 3.57Å; F319-F346 HydrophobicContact CE2-CE2 3.57Å; F319-F346 AromaticContact CZ-CD2 3.47Å; F319-F346 HydrophobicContact CZ-CD2 3.47Å; F319-F346 VanDerWaalsContact CZ-CD2 3.47Å; F319-F346 AromaticContact CZ-CE2 3.4Å; F319-F346 HydrophobicContact CZ-CE2 3.4Å; F319-F346 VanDerWaalsContact CZ-CE2 3.4Å; F319-F346 HydrophobicContact CZ-CG 4.32Å; F319-F346 HydrophobicContact CZ-CZ 4.21Å |
| 320 | H | 92.4 | Very high | 88 | Confident | 49 Ų | 49 | 52.5 Ų | 52.5 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | 5 | -178.6 | -67.7 | 95.5 | 0 | 0 | 0 | 113 | H257 I258 I259 V316 L317 N318 R338 | H257-H320 WeakPolarHBondContact O-CB 3.44Å; H257-H320 PolarHBondContact O-CD2 3.47Å; H257-H320 VanDerWaalsContact O-CD2 3.29Å; I258-H320 CarbonylContact C-O 3.53Å; I258-H320 WeakPolarHBondContact CA-O 3.43Å; I259-H320 PolarHBondContact N-O 3.45Å; V316-H320 PolarHBondContact O-ND1 3.02Å; L317-H320 CarbonylContact O-C 3.59Å; L317-H320 WeakPolarHBondContact O-CA 3.19Å; L317-H320 PolarHBondContact O-N 3.37Å; N318-H320 PolarHBondContact O-N 2.87Å; N318-H320 VanDerWaalsContact O-N 3.16Å; H320-R338 PolarHBondContact NE2-NH2 3.25Å |
| 321 | T | 90.6 | Very high | 87.8 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 8% | 0.08 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -96.7 | 135 | 179.8 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | I259 H261 K266 L317 N318 I337 | I259-T321 CarbonylContact O-C 3.58Å; I259-T321 VanDerWaalsContact O-CA 3.28Å; I259-T321 WeakPolarHBondContact O-CA 3.18Å; H261-T321 HydrophobicContact CB-CG2 4.06Å; K266-T321 HydrophobicContact CD-CG2 4.43Å; K266-T321 WeakPolarHBondContact CE-OG1 3.26Å; K266-T321 HydrophobicContact CG-CG2 4.23Å; L317-T321 PolarHBondContact O-N 2.77Å; L317-T321 PolarHBondContact O-OG1 2.83Å; N318-T321 PolarHBondContact O-N 3.45Å; T321-I337 VanDerWaalsContact O-CG2 3.22Å; T321-I337 WeakPolarHBondContact O-CG2 3.13Å |
| 322 | T | 91.3 | Very high | 87.6 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | trans | -64.4 | 158.4 | 173.3 | 65.5 | 0 | 0 | 0 | 0 | 112 | T254 I258 I259 L260 H261 V330 I331 I337 | T254-T322 HydrophobicContact CG2-CG2 4.36Å; I258-T322 HydrophobicContact CG2-CG2 3.46Å; I258-T322 VanDerWaalsContact CG2-CG2 3.46Å; I259-T322 PolarHBondContact O-N 3.24Å; L260-T322 WeakPolarHBondContact CA-OG1 3.33Å; L260-T322 HydrophobicContact CG-CG2 4.48Å; H261-T322 WeakPolarHBondContact CB-O 3.37Å; H261-T322 PolarHBondContact N-OG1 3.13Å; H261-T322 PolarHBondContact ND1-OG1 2.87Å; T322-V330 HydrophobicContact CG2-CG1 4.43Å; T322-I331 VanDerWaalsContact CB-O 3.3Å; T322-I331 WeakPolarHBondContact CB-O 3.21Å; T322-I337 HydrophobicContact CG2-CD1 4.42Å | ||
| 323 | F | 87.8 | Confident | 87.5 | Confident | 48 Ų | 48 | 52 Ų | 52 | 21% | 0.211 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 161.2 | 170 | 73.3 | -81.3 | 0 | 0 | 0 | 111.2 | I331 I336 I337 N340 | F323-I331 HydrophobicContact CD1-CB 4.32Å; F323-I331 HydrophobicContact CD1-CG2 4.48Å; F323-I331 HydrophobicContact CD2-CD1 4.47Å; F323-I331 HydrophobicContact CE1-CB 3.97Å; F323-I331 HydrophobicContact CE1-CD1 4.19Å; F323-I331 HydrophobicContact CE1-CG2 3.8Å; F323-I331 HydrophobicContact CE2-CD1 3.66Å; F323-I331 HydrophobicContact CZ-CB 4.18Å; F323-I331 HydrophobicContact CZ-CD1 3.49Å; F323-I331 VanDerWaalsContact CZ-CD1 3.49Å; F323-I331 HydrophobicContact CZ-CG1 4.41Å; F323-I331 HydrophobicContact CZ-CG2 4.16Å; F323-I331 PolarHBondContact O-N 2.98Å; F323-I336 HydrophobicContact CE1-CG2 4.32Å; F323-I336 HydrophobicContact CZ-CG2 4.2Å; F323-I337 HydrophobicContact CD1-CG1 4.01Å; F323-I337 HydrophobicContact CE1-CG1 4.17Å; F323-N340 WeakPolarHBondContact CD2-ND2 3.4Å; F323-N340 HydrophobicContact CE1-CB 3.83Å; F323-N340 HydrophobicContact CE2-CB 4.48Å; F323-N340 VanDerWaalsContact CE2-ND2 3.34Å; F323-N340 WeakPolarHBondContact CE2-ND2 3.42Å; F323-N340 HydrophobicContact CZ-CB 3.79Å; F323-N340 WeakPolarHBondContact CZ-ND2 3.47Å |
| 324 | V | 86.4 | Confident | 87.3 | Confident | 74 Ų | 74 | 49.9 Ų | 49.9 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 125.4 | 175.8 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | H261 E329 | H261-V324 VanDerWaalsContact CE1-CG2 3.44Å; H261-V324 WeakPolarHBondContact CE1-CG2 3.27Å; H261-V324 WeakPolarHBondContact NE2-CG2 3.37Å; V324-E329 WeakPolarHBondContact CA-O 3.18Å |
| 325 | G | 83 | Confident | 87.3 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 6% | 0.062 | 31% | 0.31 | C | S | . | . | trans | -75 | 167.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N327 G328 E329 | G325-N327 PolarHBondContact O-N 3.16Å; G325-G328 PolarHBondContact O-N 2.87Å; G325-E329 PolarHBondContact N-O 3.24Å | ||
| 326 | P | 82.4 | Confident | 87.2 | Confident | 135 Ų | 135 | 55.8 Ų | 55.8 | 88% | 0.877 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.6 | 179.9 | 27.4 | -36 | 0 | 0 | 0 | 113.8 | G328 | P326-G328 VanDerWaalsContact C-N 3.33Š|
| 327 | N | 80.8 | Confident | 87.1 | Confident | 132 Ų | 132 | 52.7 Ų | 52.7 | 71% | 0.706 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 1.5 | 174.8 | -55.8 | -40.6 | 0 | 0 | 0 | 113.5 | G325 E329 | G325-N327 PolarHBondContact O-N 3.16Å; N327-E329 VanDerWaalsContact C-N 3.27Å; N327-E329 HydrophobicContact CB-CG 4.36Å; N327-E329 PolarHBondContact ND2-OE1 2.89Å; N327-E329 PolarHBondContact O-N 3.36Å |
| 328 | G | 75.4 | Confident | 87.2 | Confident | 55 Ų | 55 | 56.3 Ų | 56.3 | 57% | 0.567 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 79.5 | 1.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G325 P326 | G325-G328 PolarHBondContact O-N 2.87Å; P326-G328 VanDerWaalsContact C-N 3.33Å |
| 329 | E | 83.8 | Confident | 87.3 | Confident | 105 Ų | 105 | 59.1 Ų | 59.1 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | trans | -77.4 | 138.2 | 179.5 | 67.5 | -163.6 | 133.6 | 0 | 0 | 112.3 | V324 G325 N327 I331 | V324-E329 WeakPolarHBondContact CA-O 3.18Å; G325-E329 PolarHBondContact N-O 3.24Å; N327-E329 VanDerWaalsContact C-N 3.27Å; N327-E329 HydrophobicContact CB-CG 4.36Å; N327-E329 PolarHBondContact ND2-OE1 2.89Å; N327-E329 PolarHBondContact O-N 3.36Å; E329-I331 HydrophobicContact CG-CG1 4.34Å | ||
| 330 | V | 86.2 | Confident | 87.2 | Confident | 72 Ų | 72 | 61 Ų | 61 | 44% | 0.436 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 113.4 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | T322 | T322-V330 HydrophobicContact CG2-CG1 4.43Å |
| 331 | I | 86.2 | Confident | 87.1 | Confident | 34 Ų | 34 | 59.7 Ų | 59.7 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 117.8 | -176.5 | -66.4 | 167.9 | 0 | 0 | 0 | 109.6 | T322 F323 E329 I336 | T322-I331 VanDerWaalsContact CB-O 3.3Å; T322-I331 WeakPolarHBondContact CB-O 3.21Å; F323-I331 HydrophobicContact CD1-CB 4.32Å; F323-I331 HydrophobicContact CD1-CG2 4.48Å; F323-I331 HydrophobicContact CD2-CD1 4.47Å; F323-I331 HydrophobicContact CE1-CB 3.97Å; F323-I331 HydrophobicContact CE1-CD1 4.19Å; F323-I331 HydrophobicContact CE1-CG2 3.8Å; F323-I331 HydrophobicContact CE2-CD1 3.66Å; F323-I331 HydrophobicContact CZ-CB 4.18Å; F323-I331 HydrophobicContact CZ-CD1 3.49Å; F323-I331 VanDerWaalsContact CZ-CD1 3.49Å; F323-I331 HydrophobicContact CZ-CG1 4.41Å; F323-I331 HydrophobicContact CZ-CG2 4.16Å; F323-I331 PolarHBondContact O-N 2.98Å; E329-I331 HydrophobicContact CG-CG1 4.34Å; I331-I336 HydrophobicContact CG2-CB 4.02Å; I331-I336 HydrophobicContact CG2-CG2 3.85Å |
| 332 | S | 84.8 | Confident | 87.2 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 34% | 0.343 | 36% | 0.355 | S | S | . | . | trans | -113.1 | 13.4 | -177.2 | 67.4 | 0 | 0 | 0 | 0 | 114.4 | I258 | I258-S332 WeakPolarHBondContact CD1-O 3.3Š| ||
| 333 | D | 86.5 | Confident | 87.1 | Confident | 69 Ų | 69 | 71.4 Ų | 71.4 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | trans | -88.1 | 118.6 | 175 | -173.7 | -36.1 | 0 | 0 | 0 | 109.8 | T335 I336 I337 | D333-T335 PolarHBondContact O-N 3.46Å; D333-T335 WeakPolarHBondContact OD1-CB 3.35Å; D333-T335 PolarHBondContact OD1-N 3.34Å; D333-T335 PolarHBondContact OD1-OG1 3Å; D333-I336 HydrophobicContact CB-CB 4.17Å; D333-I336 HydrophobicContact CB-CD1 3.89Å; D333-I336 HydrophobicContact CB-CG1 3.91Å; D333-I336 PolarHBondContact O-N 2.97Å; D333-I337 WeakPolarHBondContact O-CB 3.45Å; D333-I337 WeakPolarHBondContact O-CD1 3.24Å; D333-I337 VanDerWaalsContact O-CG1 3.27Å; D333-I337 WeakPolarHBondContact O-CG1 3.4Å; D333-I337 PolarHBondContact O-N 2.75Å | ||
| 334 | A | 89 | Confident | 86.9 | Confident | 27 Ų | 27 | 71.1 Ų | 71.1 | 22% | 0.223 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.2 | -35.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | I258 R338 | I258-A334 HydrophobicContact CD1-CB 4.06Å; A334-R338 VanDerWaalsContact O-CB 3.29Å; A334-R338 WeakPolarHBondContact O-CB 3.23Å; A334-R338 WeakPolarHBondContact O-CD 3.32Å; A334-R338 WeakPolarHBondContact O-CG 3.42Å; A334-R338 PolarHBondContact O-N 2.85Å |
| 335 | T | 89.9 | Confident | 86.7 | Confident | 56 Ų | 56 | 72.6 Ų | 72.6 | 34% | 0.344 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.2 | -44 | -179.7 | 67.7 | 0 | 0 | 0 | 0 | 110.9 | D333 R338 I339 | D333-T335 PolarHBondContact O-N 3.46Å; D333-T335 WeakPolarHBondContact OD1-CB 3.35Å; D333-T335 PolarHBondContact OD1-N 3.34Å; D333-T335 PolarHBondContact OD1-OG1 3Å; T335-R338 PolarHBondContact O-N 3.13Å; T335-I339 WeakPolarHBondContact O-CB 3.22Å; T335-I339 VanDerWaalsContact O-CG1 3.29Å; T335-I339 WeakPolarHBondContact O-CG1 3.25Å; T335-I339 PolarHBondContact O-N 3.49Å |
| 336 | I | 90.1 | Very high | 86.9 | Confident | 80 Ų | 80 | 75 Ų | 75 | 41% | 0.41 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.8 | -42.1 | 179.7 | -54.5 | 179.8 | 0 | 0 | 0 | 110.5 | F323 I331 D333 I339 N340 | F323-I336 HydrophobicContact CE1-CG2 4.32Å; F323-I336 HydrophobicContact CZ-CG2 4.2Å; I331-I336 HydrophobicContact CG2-CB 4.02Å; I331-I336 HydrophobicContact CG2-CG2 3.85Å; D333-I336 HydrophobicContact CB-CB 4.17Å; D333-I336 HydrophobicContact CB-CD1 3.89Å; D333-I336 HydrophobicContact CB-CG1 3.91Å; D333-I336 PolarHBondContact O-N 2.97Å; I336-I339 PolarHBondContact O-N 2.82Å; I336-N340 VanDerWaalsContact O-CB 3.23Å; I336-N340 WeakPolarHBondContact O-CB 3.37Å; I336-N340 PolarHBondContact O-N 2.98Å |
| 337 | I | 90.6 | Very high | 87.1 | Confident | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -55.4 | -52.4 | 172.9 | -70.8 | 162.2 | 0 | 0 | 0 | 110.5 | I258 T321 T322 F323 D333 N340 Y341 | I258-I337 HydrophobicContact CD1-CD1 4.03Å; I258-I337 HydrophobicContact CG2-CD1 4.32Å; T321-I337 VanDerWaalsContact O-CG2 3.22Å; T321-I337 WeakPolarHBondContact O-CG2 3.13Å; T322-I337 HydrophobicContact CG2-CD1 4.42Å; F323-I337 HydrophobicContact CD1-CG1 4.01Å; F323-I337 HydrophobicContact CE1-CG1 4.17Å; D333-I337 WeakPolarHBondContact O-CB 3.45Å; D333-I337 WeakPolarHBondContact O-CD1 3.24Å; D333-I337 VanDerWaalsContact O-CG1 3.27Å; D333-I337 WeakPolarHBondContact O-CG1 3.4Å; D333-I337 PolarHBondContact O-N 2.75Å; I337-N340 PolarHBondContact O-N 3.36Å; I337-Y341 PolarHBondContact O-N 3.19Å |
| 338 | R | 93.2 | Very high | 87.1 | Confident | 105 Ų | 105 | 69.2 Ų | 69.2 | 40% | 0.396 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | -178.3 | -71 | 163.7 | -177.4 | -176.5 | -2.1 | 111.5 | F319 H320 A334 T335 N340 Y341 L342 | F319-R338 HydrophobicContact CD1-CB 4.19Å; F319-R338 HydrophobicContact CD1-CG 3.81Å; F319-R338 HydrophobicContact CE1-CB 4.5Å; H320-R338 PolarHBondContact NE2-NH2 3.25Å; A334-R338 VanDerWaalsContact O-CB 3.29Å; A334-R338 WeakPolarHBondContact O-CB 3.23Å; A334-R338 WeakPolarHBondContact O-CD 3.32Å; A334-R338 WeakPolarHBondContact O-CG 3.42Å; A334-R338 PolarHBondContact O-N 2.85Å; T335-R338 PolarHBondContact O-N 3.13Å; R338-N340 PolarHBondContact O-N 2.85Å; R338-Y341 PolarHBondContact O-N 3.05Å; R338-L342 WeakPolarHBondContact O-CB 3.49Å; R338-L342 WeakPolarHBondContact O-CG 3.36Å; R338-L342 PolarHBondContact O-N 2.91Å |
| 339 | I | 91.5 | Very high | 87.6 | Confident | 82 Ų | 82 | 66.6 Ų | 66.6 | 42% | 0.421 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 179.6 | -68.4 | 171.3 | 0 | 0 | 0 | 111.8 | L159 T335 I336 K343 | L159-I339 HydrophobicContact CD1-CD1 3.64Å; T335-I339 WeakPolarHBondContact O-CB 3.22Å; T335-I339 VanDerWaalsContact O-CG1 3.29Å; T335-I339 WeakPolarHBondContact O-CG1 3.25Å; T335-I339 PolarHBondContact O-N 3.49Å; I336-I339 PolarHBondContact O-N 2.82Å; I339-K343 WeakPolarHBondContact O-CB 3.16Å; I339-K343 PolarHBondContact O-N 3.01Å |
| 340 | N | 89.3 | Confident | 87.6 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 43% | 0.428 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 176.2 | -173.5 | 52.7 | 0 | 0 | 0 | 112 | F323 I336 I337 R338 K343 G344 | F323-N340 WeakPolarHBondContact CD2-ND2 3.4Å; F323-N340 HydrophobicContact CE1-CB 3.83Å; F323-N340 HydrophobicContact CE2-CB 4.48Å; F323-N340 VanDerWaalsContact CE2-ND2 3.34Å; F323-N340 WeakPolarHBondContact CE2-ND2 3.42Å; F323-N340 HydrophobicContact CZ-CB 3.79Å; F323-N340 WeakPolarHBondContact CZ-ND2 3.47Å; I336-N340 VanDerWaalsContact O-CB 3.23Å; I336-N340 WeakPolarHBondContact O-CB 3.37Å; I336-N340 PolarHBondContact O-N 2.98Å; I337-N340 PolarHBondContact O-N 3.36Å; R338-N340 PolarHBondContact O-N 2.85Å; N340-K343 PolarHBondContact O-N 3.44Å; N340-G344 PolarHBondContact O-N 2.83Å |
| 341 | Y | 90.6 | Very high | 87.4 | Confident | 22 Ų | 22 | 64 Ų | 64 | 9% | 0.086 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 177.4 | -177.4 | -126.2 | 0 | 0 | 0 | 112.3 | I315 N318 F319 I337 R338 K343 G344 W345 F346 D349 | I315-Y341 HydrophobicContact CG2-CE1 4.25Å; N318-Y341 HydrophobicContact CB-CD1 4.44Å; N318-Y341 HydrophobicContact CB-CD2 4.38Å; N318-Y341 HydrophobicContact CB-CE1 3.88Å; N318-Y341 HydrophobicContact CB-CE2 3.83Å; N318-Y341 PolarHBondContact ND2-OH 3.2Å; F319-Y341 AromaticContact CD1-CD1 3.64Å; F319-Y341 HydrophobicContact CD1-CD1 3.64Å; F319-Y341 HydrophobicContact CD1-CE1 4.26Å; F319-Y341 HydrophobicContact CD2-CD1 4.28Å; F319-Y341 HydrophobicContact CD2-CE1 4.07Å; F319-Y341 AromaticContact CE1-CD1 3.65Å; F319-Y341 HydrophobicContact CE1-CD1 3.65Å; F319-Y341 HydrophobicContact CE1-CE1 4.26Å; F319-Y341 HydrophobicContact CE2-CD1 4.27Å; F319-Y341 HydrophobicContact CE2-CE1 4.05Å; F319-Y341 AromaticContact CG-CD1 3.98Å; F319-Y341 HydrophobicContact CG-CD1 3.98Å; F319-Y341 HydrophobicContact CG-CE1 4.18Å; F319-Y341 AromaticContact CZ-CD1 3.98Å; F319-Y341 HydrophobicContact CZ-CD1 3.98Å; F319-Y341 HydrophobicContact CZ-CE1 4.16Å; I337-Y341 PolarHBondContact O-N 3.19Å; R338-Y341 PolarHBondContact O-N 3.05Å; Y341-K343 VanDerWaalsContact C-N 3.33Å; Y341-K343 PolarHBondContact O-N 2.97Å; Y341-G344 CarbonylContact O-C 3.58Å; Y341-G344 PolarHBondContact O-N 3.38Å; Y341-W345 HydrophobicContact CD2-CB 4.31Å; Y341-W345 HydrophobicContact CE2-CB 4.15Å; Y341-W345 PolarHBondContact O-N 2.96Å; Y341-F346 HydrophobicContact CD1-CB 4.14Å; Y341-F346 HydrophobicContact CD1-CD2 4.3Å; Y341-F346 HydrophobicContact CE1-CB 4.18Å; Y341-F346 AromaticContact CE1-CD2 3.91Å; Y341-F346 HydrophobicContact CE1-CD2 3.91Å; Y341-F346 HydrophobicContact CG-CB 4.37Å; Y341-F346 WeakPolarHBondContact O-CB 3.49Å; Y341-F346 PolarHBondContact O-N 3.38Å; Y341-D349 PolarHBondContact OH-OD2 3.04Å |
| 342 | L | 92 | Very high | 87.1 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 41% | 0.408 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.7 | -41.3 | 175 | -75.2 | 172 | 0 | 0 | 0 | 112.8 | F319 R338 G344 F346 | F319-L342 HydrophobicContact CE1-CD2 3.97Å; F319-L342 HydrophobicContact CE1-CG 3.99Å; F319-L342 HydrophobicContact CZ-CD2 3.89Å; F319-L342 HydrophobicContact CZ-CG 4.43Å; R338-L342 WeakPolarHBondContact O-CB 3.49Å; R338-L342 WeakPolarHBondContact O-CG 3.36Å; R338-L342 PolarHBondContact O-N 2.91Å; L342-G344 VanDerWaalsContact C-N 3.33Å; L342-F346 HydrophobicContact CD2-CB 4.44Å; L342-F346 HydrophobicContact CD2-CD1 3.51Å; L342-F346 HydrophobicContact CD2-CD2 4.24Å; L342-F346 HydrophobicContact CD2-CE1 3.65Å; L342-F346 HydrophobicContact CD2-CE2 4.36Å; L342-F346 HydrophobicContact CD2-CG 3.81Å; L342-F346 HydrophobicContact CD2-CZ 4.08Å |
| 343 | K | 89.1 | Confident | 86.9 | Confident | 187 Ų | 187 | 60.8 Ų | 60.8 | 81% | 0.813 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -72.1 | -25.2 | -178.4 | -176 | 175.5 | 177.1 | -175.7 | 0 | 113.4 | I339 N340 Y341 | I339-K343 WeakPolarHBondContact O-CB 3.16Å; I339-K343 PolarHBondContact O-N 3.01Å; N340-K343 PolarHBondContact O-N 3.44Å; Y341-K343 VanDerWaalsContact C-N 3.33Å; Y341-K343 PolarHBondContact O-N 2.97Å |
| 344 | G | 83.2 | Confident | 86.5 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 43% | 0.433 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -103 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N340 Y341 L342 F346 | N340-G344 PolarHBondContact O-N 2.83Å; Y341-G344 CarbonylContact O-C 3.58Å; Y341-G344 PolarHBondContact O-N 3.38Å; L342-G344 VanDerWaalsContact C-N 3.33Å; G344-F346 PolarHBondContact O-N 3.02Å |
| 345 | W | 82.9 | Confident | 85.9 | Confident | 105 Ų | 105 | 61 Ų | 61 | 40% | 0.398 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -18.6 | -163.3 | -72.4 | 104.3 | 0 | 0 | 0 | 115.9 | Y341 I347 V348 D349 G387 R391 | Y341-W345 HydrophobicContact CD2-CB 4.31Å; Y341-W345 HydrophobicContact CE2-CB 4.15Å; Y341-W345 PolarHBondContact O-N 2.96Å; W345-I347 VanDerWaalsContact C-N 3.29Å; W345-I347 PolarHBondContact O-N 3.42Å; W345-V348 HydrophobicContact CE3-CB 4.31Å; W345-V348 HydrophobicContact CE3-CG2 4.36Å; W345-V348 PolarHBondContact O-N 2.86Å; W345-D349 PolarHBondContact O-N 2.99Å; W345-G387 WeakPolarHBondContact CH2-O 3.3Å; W345-R391 HydrophobicContact CZ2-CG 4.3Å |
| 346 | F | 88 | Confident | 85 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -52.1 | -43.2 | -175.4 | 170.5 | -106.4 | 0 | 0 | 0 | 113.7 | I315 F319 Y341 L342 G344 V348 D349 V350 | I315-F346 HydrophobicContact CG2-CD2 4.33Å; I315-F346 HydrophobicContact CG2-CE2 4.25Å; F319-F346 HydrophobicContact CE1-CD2 4.43Å; F319-F346 AromaticContact CE2-CD2 3.8Å; F319-F346 HydrophobicContact CE2-CD2 3.8Å; F319-F346 AromaticContact CE2-CE2 3.57Å; F319-F346 HydrophobicContact CE2-CE2 3.57Å; F319-F346 AromaticContact CZ-CD2 3.47Å; F319-F346 HydrophobicContact CZ-CD2 3.47Å; F319-F346 VanDerWaalsContact CZ-CD2 3.47Å; F319-F346 AromaticContact CZ-CE2 3.4Å; F319-F346 HydrophobicContact CZ-CE2 3.4Å; F319-F346 VanDerWaalsContact CZ-CE2 3.4Å; F319-F346 HydrophobicContact CZ-CG 4.32Å; F319-F346 HydrophobicContact CZ-CZ 4.21Å; Y341-F346 HydrophobicContact CD1-CB 4.14Å; Y341-F346 HydrophobicContact CD1-CD2 4.3Å; Y341-F346 HydrophobicContact CE1-CB 4.18Å; Y341-F346 AromaticContact CE1-CD2 3.91Å; Y341-F346 HydrophobicContact CE1-CD2 3.91Å; Y341-F346 HydrophobicContact CG-CB 4.37Å; Y341-F346 WeakPolarHBondContact O-CB 3.49Å; Y341-F346 PolarHBondContact O-N 3.38Å; L342-F346 HydrophobicContact CD2-CB 4.44Å; L342-F346 HydrophobicContact CD2-CD1 3.51Å; L342-F346 HydrophobicContact CD2-CD2 4.24Å; L342-F346 HydrophobicContact CD2-CE1 3.65Å; L342-F346 HydrophobicContact CD2-CE2 4.36Å; L342-F346 HydrophobicContact CD2-CG 3.81Å; L342-F346 HydrophobicContact CD2-CZ 4.08Å; G344-F346 PolarHBondContact O-N 3.02Å; F346-V348 VanDerWaalsContact C-N 3.34Å; F346-V348 PolarHBondContact O-N 2.87Å; F346-D349 PolarHBondContact O-N 3.4Å; F346-V350 HydrophobicContact CD1-CG2 4.49Å; F346-V350 HydrophobicContact CD2-CG2 3.72Å; F346-V350 HydrophobicContact CE1-CG2 4.17Å; F346-V350 HydrophobicContact CE2-CG2 3.31Å; F346-V350 HydrophobicContact CG-CG2 4.3Å; F346-V350 HydrophobicContact CZ-CG2 3.59Å; F346-V350 WeakPolarHBondContact O-CB 3.46Å; F346-V350 WeakPolarHBondContact O-CG2 3.25Å; F346-V350 PolarHBondContact O-N 3.05Å |
| 347 | I | 85.2 | Confident | 83.9 | Confident | 104 Ų | 104 | 56.3 Ų | 56.3 | 53% | 0.533 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | -178.7 | -58.3 | 175.8 | 0 | 0 | 0 | 110.8 | W345 L351 | W345-I347 VanDerWaalsContact C-N 3.29Å; W345-I347 PolarHBondContact O-N 3.42Å; I347-L351 HydrophobicContact CG2-CD1 4.03Å; I347-L351 WeakPolarHBondContact O-CB 3.39Å; I347-L351 VanDerWaalsContact O-CG 3.3Å; I347-L351 WeakPolarHBondContact O-CG 3.19Å; I347-L351 PolarHBondContact O-N 3.43Å |
| 348 | V | 81.5 | Confident | 83 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 26% | 0.255 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 178.1 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | W345 F346 V350 S352 L384 | W345-V348 HydrophobicContact CE3-CB 4.31Å; W345-V348 HydrophobicContact CE3-CG2 4.36Å; W345-V348 PolarHBondContact O-N 2.86Å; F346-V348 VanDerWaalsContact C-N 3.34Å; F346-V348 PolarHBondContact O-N 2.87Å; V348-V350 PolarHBondContact O-N 2.97Å; V348-S352 WeakPolarHBondContact O-CB 3.4Å; V348-S352 PolarHBondContact O-N 2.77Å; V348-L384 HydrophobicContact CG1-CB 3.83Å; V348-L384 HydrophobicContact CG1-CD1 4.37Å |
| 349 | D | 85.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.8 | -38.9 | -177.6 | -69.7 | -26.6 | 0 | 0 | 0 | 111.3 | I315 Y341 W345 F346 S352 C353 R388 R391 | I315-D349 HydrophobicContact CD1-CB 4.4Å; I315-D349 HydrophobicContact CG1-CB 4.1Å; Y341-D349 PolarHBondContact OH-OD2 3.04Å; W345-D349 PolarHBondContact O-N 2.99Å; F346-D349 PolarHBondContact O-N 3.4Å; D349-S352 PolarHBondContact O-N 3.11Å; D349-S352 PolarHBondContact O-OG 3.08Å; D349-C353 PolarHBondContact O-N 2.83Å; D349-R388 IonicContact OD1-CZ 2.89Å; D349-R388 VanDerWaalsContact OD1-CZ 3.27Å; D349-R388 IonicContact OD1-NE 3.41Å; D349-R388 IonicContact OD1-NH1 3.61Å; D349-R388 PolarHBondContact OD1-NH1 3.49Å; D349-R388 IonicContact OD1-NH2 3.93Å; D349-R391 IonicContact OD1-CZ 3.6Å; D349-R391 IonicContact OD1-NH1 2.77Å; D349-R391 IonicContact OD1-NH2 2.91Å; D349-R391 PolarHBondContact OD1-NH2 2.9Å; D349-R391 IonicContact OD2-CZ 3.76Å; D349-R391 VanDerWaalsContact OD2-CZ 3.3Å; D349-R391 IonicContact OD2-NH1 2.81Å; D349-R391 PolarHBondContact OD2-NH1 2.77Å; D349-R391 IonicContact OD2-NH2 3.6Å; D349-R391 PolarHBondContact OD2-NH2 2.91Å |
| 350 | V | 85.6 | Confident | 80.7 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.6 | -49.9 | 174.5 | 167.8 | 0 | 0 | 0 | 0 | 112.8 | I315 F346 V348 S352 C353 | I315-V350 HydrophobicContact CD1-CG2 4.14Å; F346-V350 HydrophobicContact CD1-CG2 4.49Å; F346-V350 HydrophobicContact CD2-CG2 3.72Å; F346-V350 HydrophobicContact CE1-CG2 4.17Å; F346-V350 HydrophobicContact CE2-CG2 3.31Å; F346-V350 HydrophobicContact CG-CG2 4.3Å; F346-V350 HydrophobicContact CZ-CG2 3.59Å; F346-V350 WeakPolarHBondContact O-CB 3.46Å; F346-V350 WeakPolarHBondContact O-CG2 3.25Å; F346-V350 PolarHBondContact O-N 3.05Å; V348-V350 PolarHBondContact O-N 2.97Å; V350-S352 PolarHBondContact O-N 3.07Å; V350-C353 PolarHBondContact O-N 3.47Å; V350-C353 PolarHBondContact O-SG 3.33Å |
| 351 | L | 81.2 | Confident | 79.7 | Confident | 79 Ų | 79 | 56.5 Ų | 56.5 | 41% | 0.414 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57 | -34.5 | 176.6 | -75.8 | 172.7 | 0 | 0 | 0 | 111 | I347 C353 V381 | I347-L351 HydrophobicContact CG2-CD1 4.03Å; I347-L351 WeakPolarHBondContact O-CB 3.39Å; I347-L351 VanDerWaalsContact O-CG 3.3Å; I347-L351 WeakPolarHBondContact O-CG 3.19Å; I347-L351 PolarHBondContact O-N 3.43Å; L351-C353 PolarHBondContact O-N 2.77Å; L351-V381 HydrophobicContact CB-CG1 3.96Å; L351-V381 WeakPolarHBondContact O-CG1 3.46Å |
| 352 | S | 79 | Confident | 78.6 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.1 | -25.9 | 176.4 | 88.6 | 0 | 0 | 0 | 0 | 114.4 | V348 D349 V350 R385 | V348-S352 WeakPolarHBondContact O-CB 3.4Å; V348-S352 PolarHBondContact O-N 2.77Å; D349-S352 PolarHBondContact O-N 3.11Å; D349-S352 PolarHBondContact O-OG 3.08Å; V350-S352 PolarHBondContact O-N 3.07Å; S352-R385 VanDerWaalsContact O-CZ 3.31Å; S352-R385 PolarHBondContact O-NE 3.42Å; S352-R385 PolarHBondContact O-NH2 2.72Å; S352-R385 WeakPolarHBondContact OG-CG 3.37Å |
| 353 | C | 80.6 | Confident | 77.2 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 10% | 0.101 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 3.2 | -170.3 | 83 | 0 | 0 | 0 | 0 | 115.1 | I315 D349 V350 L351 | I315-C353 HydrophobicContact CD1-CB 3.84Å; I315-C353 VanDerWaalsContact CD1-SG 3.51Å; D349-C353 PolarHBondContact O-N 2.83Å; V350-C353 PolarHBondContact O-N 3.47Å; V350-C353 PolarHBondContact O-SG 3.33Å; L351-C353 PolarHBondContact O-N 2.77Å |
| 354 | L | 78.3 | Confident | 75.8 | Confident | 56 Ų | 56 | 58.7 Ų | 58.7 | 29% | 0.293 | 32% | 0.32 | S | S | . | . | trans | -71.7 | 125.4 | -176.1 | -67 | 173.1 | 0 | 0 | 0 | 111.7 | Y356 | L354-Y356 VanDerWaalsContact C-N 3.27Å; L354-Y356 HydrophobicContact CB-CD1 4.46Å; L354-Y356 HydrophobicContact CB-CD2 4.5Å; L354-Y356 HydrophobicContact CB-CE1 4.01Å; L354-Y356 HydrophobicContact CB-CE2 4.05Å; L354-Y356 HydrophobicContact CD1-CE1 4.21Å; L354-Y356 VanDerWaalsContact O-CD2 3.28Å; L354-Y356 WeakPolarHBondContact O-CD2 3.22Å; L354-Y356 PolarHBondContact O-N 3.3Å | ||
| 355 | P | 76.2 | Confident | 74.7 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 29% | 0.292 | 33% | 0.334 | S | S | . | . | trans | -80.6 | 70.6 | -177.7 | 33.6 | -37.1 | 0 | 0 | 0 | 111.4 | D357 V358 F359 | P355-D357 PolarHBondContact O-N 2.98Å; P355-D357 VanDerWaalsContact O-N 3.12Å; P355-V358 HydrophobicContact CB-CB 4.2Å; P355-V358 HydrophobicContact CB-CG2 3.98Å; P355-V358 WeakPolarHBondContact O-CB 3.43Å; P355-V358 PolarHBondContact O-N 2.86Å; P355-F359 HydrophobicContact CG-CE2 4.09Å; P355-F359 WeakPolarHBondContact O-CD2 3.44Å; P355-F359 PolarHBondContact O-N 3.2Å | ||
| 356 | Y | 72.2 | Confident | 73.2 | Confident | 16 Ų | 16 | 64 Ų | 64 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -53.5 | -32.6 | -178 | -61.4 | -67.5 | 0 | 0 | 0 | 113.9 | L354 V358 F359 N360 F375 L378 | L354-Y356 VanDerWaalsContact C-N 3.27Å; L354-Y356 HydrophobicContact CB-CD1 4.46Å; L354-Y356 HydrophobicContact CB-CD2 4.5Å; L354-Y356 HydrophobicContact CB-CE1 4.01Å; L354-Y356 HydrophobicContact CB-CE2 4.05Å; L354-Y356 HydrophobicContact CD1-CE1 4.21Å; L354-Y356 VanDerWaalsContact O-CD2 3.28Å; L354-Y356 WeakPolarHBondContact O-CD2 3.22Å; L354-Y356 PolarHBondContact O-N 3.3Å; Y356-V358 VanDerWaalsContact C-N 3.34Å; Y356-V358 PolarHBondContact O-N 3.19Å; Y356-F359 PolarHBondContact O-N 2.95Å; Y356-N360 PolarHBondContact O-N 2.92Å; Y356-F375 HydrophobicContact CD1-CD1 4.19Å; Y356-L378 HydrophobicContact CD1-CB 4.3Å; Y356-L378 HydrophobicContact CE1-CB 4.07Å; Y356-L378 HydrophobicContact CE1-CD1 4.35Å; Y356-L378 HydrophobicContact CE2-CB 4.3Å; Y356-L378 WeakPolarHBondContact CE2-O 3.48Å |
| 357 | D | 67.4 | Low | 71.6 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 11% | 0.107 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 174 | -71.1 | -73.6 | 0 | 0 | 0 | 113.1 | L301 P355 N360 A361 K379 R382 | L301-D357 HydrophobicContact CD1-CB 4.34Å; L301-D357 HydrophobicContact CG-CB 4.45Å; P355-D357 PolarHBondContact O-N 2.98Å; P355-D357 VanDerWaalsContact O-N 3.12Å; D357-N360 PolarHBondContact O-N 2.83Å; D357-A361 WeakPolarHBondContact O-CB 3.47Å; D357-A361 PolarHBondContact O-N 3.16Å; D357-K379 VanDerWaalsContact CG-CE 3.44Å; D357-K379 WeakPolarHBondContact OD1-CE 3.44Å; D357-K379 IonicContact OD1-NZ 2.83Å; D357-K379 PolarHBondContact OD1-NZ 3.48Å; D357-K379 WeakPolarHBondContact OD2-CE 3.4Å; D357-K379 IonicContact OD2-NZ 2.61Å; D357-K379 PolarHBondContact OD2-NZ 3.43Å; D357-R382 IonicContact OD2-CZ 3.69Å; D357-R382 IonicContact OD2-NH1 2.64Å; D357-R382 IonicContact OD2-NH2 3.72Å; D357-R382 PolarHBondContact OD2-NH2 2.9Å |
| 358 | V | 69.7 | Low | 70.2 | Confident | 54 Ų | 54 | 63.6 Ų | 63.6 | 33% | 0.327 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72 | -40.1 | -179.5 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | P355 Y356 N360 A361 F362 | P355-V358 HydrophobicContact CB-CB 4.2Å; P355-V358 HydrophobicContact CB-CG2 3.98Å; P355-V358 WeakPolarHBondContact O-CB 3.43Å; P355-V358 PolarHBondContact O-N 2.86Å; Y356-V358 VanDerWaalsContact C-N 3.34Å; Y356-V358 PolarHBondContact O-N 3.19Å; V358-N360 VanDerWaalsContact C-N 3.35Å; V358-N360 PolarHBondContact O-N 3.18Å; V358-A361 PolarHBondContact O-N 2.9Å; V358-F362 HydrophobicContact CG1-CD2 3.98Å; V358-F362 HydrophobicContact CG1-CE2 3.61Å; V358-F362 WeakPolarHBondContact O-CD2 3.17Å; V358-F362 PolarHBondContact O-N 3.1Å |
| 359 | F | 71.1 | Confident | 69.1 | Low | 109 Ų | 109 | 66.1 Ų | 66.1 | 48% | 0.478 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 174 | -63.8 | -58.7 | 0 | 0 | 0 | 112.3 | P355 Y356 F362 | P355-F359 HydrophobicContact CG-CE2 4.09Å; P355-F359 WeakPolarHBondContact O-CD2 3.44Å; P355-F359 PolarHBondContact O-N 3.2Å; Y356-F359 PolarHBondContact O-N 2.95Å; F359-F362 PolarHBondContact O-N 3.3Å |
| 360 | N | 66.7 | Low | 68 | Low | 36 Ų | 36 | 70.4 Ų | 70.4 | 19% | 0.193 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 172.9 | -88.3 | -15.9 | 0 | 0 | 0 | 112.6 | Y356 D357 V358 F362 Q363 F375 | Y356-N360 PolarHBondContact O-N 2.92Å; D357-N360 PolarHBondContact O-N 2.83Å; V358-N360 VanDerWaalsContact C-N 3.35Å; V358-N360 PolarHBondContact O-N 3.18Å; N360-F362 PolarHBondContact O-N 3.43Å; N360-Q363 PolarHBondContact O-N 3.34Å; N360-F375 VanDerWaalsContact OD1-CB 3.23Å; N360-F375 WeakPolarHBondContact OD1-CB 3.47Å; N360-F375 VanDerWaalsContact OD1-CD2 3.27Å; N360-F375 WeakPolarHBondContact OD1-CD2 3.5Å |
| 361 | A | 67.4 | Low | 67 | Low | 76 Ų | 76 | 71.1 Ų | 71.1 | 63% | 0.628 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67 | -20.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | D357 V358 | D357-A361 WeakPolarHBondContact O-CB 3.47Å; D357-A361 PolarHBondContact O-N 3.16Å; V358-A361 PolarHBondContact O-N 2.9Å |
| 362 | F | 68 | Low | 66.1 | Low | 167 Ų | 167 | 69.4 Ų | 69.4 | 73% | 0.732 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -0.7 | 178.6 | -69.9 | -59.5 | 0 | 0 | 0 | 114.6 | V358 F359 N360 | V358-F362 HydrophobicContact CG1-CD2 3.98Å; V358-F362 HydrophobicContact CG1-CE2 3.61Å; V358-F362 WeakPolarHBondContact O-CD2 3.17Å; V358-F362 PolarHBondContact O-N 3.1Å; F359-F362 PolarHBondContact O-N 3.3Å; N360-F362 PolarHBondContact O-N 3.43Å |
| 363 | Q | 63.4 | Low | 65.4 | Low | 72 Ų | 72 | 72.7 Ų | 72.7 | 34% | 0.336 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -85.7 | 132.3 | 176.5 | -75.5 | -164.6 | -18.1 | 0 | 0 | 112.3 | N360 | N360-Q363 PolarHBondContact O-N 3.34Š|
| 364 | P | 58.6 | Low | 64.6 | Low | 95 Ų | 95 | 77 Ų | 77 | 62% | 0.617 | 44% | 0.444 | S | S | * | . | trans | -68.1 | 151.8 | 180 | 28.8 | -35.3 | 0 | 0 | 0 | 112.3 | A366 | P364-A366 PolarHBondContact O-N 3.22Š| ||
| 365 | E | 59.4 | Low | 64 | Low | 156 Ų | 156 | 77 Ų | 77 | 73% | 0.729 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -66.5 | -13.3 | -163.1 | -46.8 | -159 | 114.9 | 0 | 0 | 115.5 | T367 Q368 | E365-T367 VanDerWaalsContact C-N 3.33Å; E365-T367 PolarHBondContact O-N 3.44Å; E365-Q368 WeakPolarHBondContact O-CB 3.49Å; E365-Q368 PolarHBondContact O-N 3.5Å |
| 366 | A | 52.6 | Low | 63.3 | Low | 103 Ų | 103 | 75.9 Ų | 75.9 | 85% | 0.851 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -68.4 | -23.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P364 | P364-A366 PolarHBondContact O-N 3.22Š|
| 367 | T | 54.1 | Low | 63 | Low | 77 Ų | 77 | 77.9 Ų | 77.9 | 47% | 0.472 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -110.6 | 11.1 | -176.8 | -8.4 | 0 | 0 | 0 | 0 | 113 | E365 S369 I371 | E365-T367 VanDerWaalsContact C-N 3.33Å; E365-T367 PolarHBondContact O-N 3.44Å; T367-S369 PolarHBondContact O-N 3.03Å; T367-I371 HydrophobicContact CG2-CD1 3.57Å |
| 368 | Q | 56 | Low | 63.1 | Low | 72 Ų | 72 | 80.3 Ų | 80.3 | 34% | 0.336 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -13.4 | -145.1 | -163.5 | -168.8 | 65.6 | 0 | 0 | 115.7 | E365 S372 | E365-Q368 WeakPolarHBondContact O-CB 3.49Å; E365-Q368 PolarHBondContact O-N 3.5Å; Q368-S372 WeakPolarHBondContact O-CB 3.37Å; Q368-S372 PolarHBondContact O-OG 2.87Å |
| 369 | S | 59.3 | Low | 62.9 | Low | 95 Ų | 95 | 78.8 Ų | 78.8 | 66% | 0.664 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -68.2 | -176.6 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | T367 S372 S373 | T367-S369 PolarHBondContact O-N 3.03Å; S369-S372 PolarHBondContact O-OG 2.83Å; S369-S373 PolarHBondContact O-N 3.39Å; S369-S373 PolarHBondContact O-OG 3.2Å |
| 370 | T | 60.1 | Low | 62.9 | Low | 91 Ų | 91 | 77.4 Ų | 77.4 | 56% | 0.558 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.1 | -39.6 | -175.5 | -46.9 | 0 | 0 | 0 | 0 | 112.2 | S373 L374 | T370-S373 PolarHBondContact O-N 3.19Å; T370-S373 PolarHBondContact O-OG 3.33Å; T370-L374 HydrophobicContact CG2-CD1 4.19Å; T370-L374 VanDerWaalsContact O-CG 3.31Å; T370-L374 WeakPolarHBondContact O-CG 3.47Å; T370-L374 PolarHBondContact O-N 3.3Å; T370-L374 VanDerWaalsContact O-N 3.08Å |
| 371 | I | 66 | Low | 63.2 | Low | 60 Ų | 60 | 77.2 Ų | 77.2 | 31% | 0.308 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.4 | -41.4 | -175.7 | -63.5 | -176 | 0 | 0 | 0 | 110.9 | T367 S373 L374 F375 | T367-I371 HydrophobicContact CG2-CD1 3.57Å; I371-S373 VanDerWaalsContact C-N 3.33Å; I371-S373 PolarHBondContact O-N 3.09Å; I371-L374 PolarHBondContact O-N 2.91Å; I371-F375 HydrophobicContact CG2-CD2 3.63Å; I371-F375 HydrophobicContact CG2-CE2 3.4Å; I371-F375 VanDerWaalsContact CG2-CE2 3.4Å; I371-F375 VanDerWaalsContact O-CD2 3.31Å; I371-F375 WeakPolarHBondContact O-CD2 3.41Å; I371-F375 PolarHBondContact O-N 3Å |
| 372 | S | 62.2 | Low | 63.4 | Low | 42 Ų | 42 | 73.7 Ų | 73.7 | 29% | 0.294 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.1 | -32 | 176.8 | 75.2 | 0 | 0 | 0 | 0 | 112.8 | Q368 S369 G376 | Q368-S372 WeakPolarHBondContact O-CB 3.37Å; Q368-S372 PolarHBondContact O-OG 2.87Å; S369-S372 PolarHBondContact O-OG 2.83Å; S372-G376 PolarHBondContact O-N 3.42Å |
| 373 | S | 63.9 | Low | 63.6 | Low | 70 Ų | 70 | 67.2 Ų | 67.2 | 49% | 0.49 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70 | -36 | 174.8 | 73.3 | 0 | 0 | 0 | 0 | 112.1 | S369 T370 I371 G376 A377 | S369-S373 PolarHBondContact O-N 3.39Å; S369-S373 PolarHBondContact O-OG 3.2Å; T370-S373 PolarHBondContact O-N 3.19Å; T370-S373 PolarHBondContact O-OG 3.33Å; I371-S373 VanDerWaalsContact C-N 3.33Å; I371-S373 PolarHBondContact O-N 3.09Å; S373-G376 PolarHBondContact O-N 3.34Å; S373-A377 PolarHBondContact O-N 3.16Å |
| 374 | L | 63.3 | Low | 64.1 | Low | 105 Ų | 105 | 67.5 Ų | 67.5 | 55% | 0.55 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.7 | -43 | 172.3 | -70.4 | 170.5 | 0 | 0 | 0 | 112.3 | T370 I371 G376 A377 L378 | T370-L374 HydrophobicContact CG2-CD1 4.19Å; T370-L374 VanDerWaalsContact O-CG 3.31Å; T370-L374 WeakPolarHBondContact O-CG 3.47Å; T370-L374 PolarHBondContact O-N 3.3Å; T370-L374 VanDerWaalsContact O-N 3.08Å; I371-L374 PolarHBondContact O-N 2.91Å; L374-G376 VanDerWaalsContact C-N 3.28Å; L374-G376 PolarHBondContact O-N 2.88Å; L374-A377 PolarHBondContact O-N 3.31Å; L374-L378 WeakPolarHBondContact O-CG 3.31Å; L374-L378 PolarHBondContact O-N 3.14Å |
| 375 | F | 65.9 | Low | 64.6 | Low | 56 Ų | 56 | 63 Ų | 63 | 25% | 0.246 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66 | -30.9 | 171.1 | -76 | -57.1 | 0 | 0 | 0 | 112.7 | Y356 N360 I371 L378 K379 | Y356-F375 HydrophobicContact CD1-CD1 4.19Å; N360-F375 VanDerWaalsContact OD1-CB 3.23Å; N360-F375 WeakPolarHBondContact OD1-CB 3.47Å; N360-F375 VanDerWaalsContact OD1-CD2 3.27Å; N360-F375 WeakPolarHBondContact OD1-CD2 3.5Å; I371-F375 HydrophobicContact CG2-CD2 3.63Å; I371-F375 HydrophobicContact CG2-CE2 3.4Å; I371-F375 VanDerWaalsContact CG2-CE2 3.4Å; I371-F375 VanDerWaalsContact O-CD2 3.31Å; I371-F375 WeakPolarHBondContact O-CD2 3.41Å; I371-F375 PolarHBondContact O-N 3Å; F375-L378 HydrophobicContact CD1-CD1 3.73Å; F375-L378 HydrophobicContact CE1-CD1 4.15Å; F375-L378 PolarHBondContact O-N 2.9Å; F375-K379 PolarHBondContact O-N 3.45Å |
| 376 | G | 62.9 | Low | 65.3 | Low | 22 Ų | 22 | 58.9 Ų | 58.9 | 23% | 0.227 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S372 S373 L374 K379 | S372-G376 PolarHBondContact O-N 3.42Å; S373-G376 PolarHBondContact O-N 3.34Å; L374-G376 VanDerWaalsContact C-N 3.28Å; L374-G376 PolarHBondContact O-N 2.88Å; G376-K379 VanDerWaalsContact O-CB 3.26Å; G376-K379 WeakPolarHBondContact O-CB 3.46Å; G376-K379 VanDerWaalsContact O-CG 3.32Å; G376-K379 WeakPolarHBondContact O-CG 3.39Å; G376-K379 PolarHBondContact O-N 2.81Å |
| 377 | A | 64.9 | Low | 66.1 | Low | 57 Ų | 57 | 54.5 Ų | 54.5 | 47% | 0.471 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68 | -34.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S373 L374 K379 V380 | S373-A377 PolarHBondContact O-N 3.16Å; L374-A377 PolarHBondContact O-N 3.31Å; A377-K379 PolarHBondContact O-N 3.23Å; A377-K379 VanDerWaalsContact O-N 3.12Å; A377-V380 VanDerWaalsContact O-CB 3.28Å; A377-V380 WeakPolarHBondContact O-CB 3.18Å; A377-V380 VanDerWaalsContact O-CG2 3.26Å; A377-V380 WeakPolarHBondContact O-CG2 3.48Å; A377-V380 PolarHBondContact O-N 2.98Å |
| 378 | L | 68.9 | Low | 66.9 | Low | 72 Ų | 72 | 51.7 Ų | 51.7 | 38% | 0.377 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.7 | -17.1 | 173.9 | -77.1 | 169.6 | 0 | 0 | 0 | 113.3 | Y356 L374 F375 V380 V381 | Y356-L378 HydrophobicContact CD1-CB 4.3Å; Y356-L378 HydrophobicContact CE1-CB 4.07Å; Y356-L378 HydrophobicContact CE1-CD1 4.35Å; Y356-L378 HydrophobicContact CE2-CB 4.3Å; Y356-L378 WeakPolarHBondContact CE2-O 3.48Å; L374-L378 WeakPolarHBondContact O-CG 3.31Å; L374-L378 PolarHBondContact O-N 3.14Å; F375-L378 HydrophobicContact CD1-CD1 3.73Å; F375-L378 HydrophobicContact CE1-CD1 4.15Å; F375-L378 PolarHBondContact O-N 2.9Å; L378-V380 PolarHBondContact O-N 3.17Å; L378-V380 VanDerWaalsContact O-N 3.14Å; L378-V381 HydrophobicContact CD2-CG2 4.23Å; L378-V381 WeakPolarHBondContact O-CB 3.17Å; L378-V381 VanDerWaalsContact O-CG2 3.23Å; L378-V381 WeakPolarHBondContact O-CG2 3.4Å; L378-V381 PolarHBondContact O-N 2.87Å |
| 379 | K | 67 | Low | 67.6 | Low | 22 Ų | 22 | 49.3 Ų | 49.3 | 10% | 0.096 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -57 | -25.2 | 167.6 | -63.8 | -172.1 | 179.1 | -154.7 | 0 | 113.3 | V284 D304 D357 F375 G376 A377 V381 R382 | V284-K379 HydrophobicContact CG1-CB 3.86Å; V284-K379 WeakPolarHBondContact CG1-O 3.38Å; D304-K379 IonicContact OD2-NZ 2.78Å; D357-K379 VanDerWaalsContact CG-CE 3.44Å; D357-K379 WeakPolarHBondContact OD1-CE 3.44Å; D357-K379 IonicContact OD1-NZ 2.83Å; D357-K379 PolarHBondContact OD1-NZ 3.48Å; D357-K379 WeakPolarHBondContact OD2-CE 3.4Å; D357-K379 IonicContact OD2-NZ 2.61Å; D357-K379 PolarHBondContact OD2-NZ 3.43Å; F375-K379 PolarHBondContact O-N 3.45Å; G376-K379 VanDerWaalsContact O-CB 3.26Å; G376-K379 WeakPolarHBondContact O-CB 3.46Å; G376-K379 VanDerWaalsContact O-CG 3.32Å; G376-K379 WeakPolarHBondContact O-CG 3.39Å; G376-K379 PolarHBondContact O-N 2.81Å; A377-K379 PolarHBondContact O-N 3.23Å; A377-K379 VanDerWaalsContact O-N 3.12Å; K379-V381 PolarHBondContact O-N 3.19Å; K379-V381 VanDerWaalsContact O-N 3.14Å; K379-R382 WeakPolarHBondContact O-CB 3.29Å; K379-R382 WeakPolarHBondContact O-CG 3.36Å; K379-R382 PolarHBondContact O-N 2.72Å |
| 380 | V | 69.7 | Low | 68 | Low | 79 Ų | 79 | 48 Ų | 48 | 48% | 0.479 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -58.8 | -24 | 175.1 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | A377 L378 R382 L383 | A377-V380 VanDerWaalsContact O-CB 3.28Å; A377-V380 WeakPolarHBondContact O-CB 3.18Å; A377-V380 VanDerWaalsContact O-CG2 3.26Å; A377-V380 WeakPolarHBondContact O-CG2 3.48Å; A377-V380 PolarHBondContact O-N 2.98Å; L378-V380 PolarHBondContact O-N 3.17Å; L378-V380 VanDerWaalsContact O-N 3.14Å; V380-R382 PolarHBondContact O-N 2.75Å; V380-L383 HydrophobicContact CG1-CD1 4.1Å; V380-L383 VanDerWaalsContact O-CB 3.26Å; V380-L383 WeakPolarHBondContact O-CB 3.37Å; V380-L383 WeakPolarHBondContact O-CG 3.37Å; V380-L383 PolarHBondContact O-N 3Å |
| 381 | V | 74.3 | Confident | 68.4 | Low | 33 Ų | 33 | 47.6 Ų | 47.6 | 20% | 0.2 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -60.4 | -26.6 | 170.9 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | L351 L378 K379 L383 L384 | L351-V381 HydrophobicContact CB-CG1 3.96Å; L351-V381 WeakPolarHBondContact O-CG1 3.46Å; L378-V381 HydrophobicContact CD2-CG2 4.23Å; L378-V381 WeakPolarHBondContact O-CB 3.17Å; L378-V381 VanDerWaalsContact O-CG2 3.23Å; L378-V381 WeakPolarHBondContact O-CG2 3.4Å; L378-V381 PolarHBondContact O-N 2.87Å; K379-V381 PolarHBondContact O-N 3.19Å; K379-V381 VanDerWaalsContact O-N 3.14Å; V381-L383 PolarHBondContact O-N 2.93Å; V381-L384 HydrophobicContact CG1-CD1 3.95Å; V381-L384 WeakPolarHBondContact O-CB 3.39Å; V381-L384 WeakPolarHBondContact O-CG 3.3Å; V381-L384 PolarHBondContact O-N 3.26Å; V381-L384 VanDerWaalsContact O-N 3.08Å |
| 382 | R | 71.5 | Confident | 68.4 | Low | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -60 | -24 | 170.7 | -64.1 | 179.6 | 174.2 | 155.3 | 1.8 | 112.2 | V284 D304 D308 D357 K379 V380 L384 R385 | V284-R382 HydrophobicContact CG2-CB 4.28Å; D304-R382 IonicContact OD2-CZ 2.65Å; D304-R382 IonicContact OD2-NH1 3.86Å; D304-R382 PolarHBondContact OD2-NH1 3.33Å; D308-R382 IonicContact OD1-CZ 3.78Å; D308-R382 IonicContact OD1-NE 3.31Å; D308-R382 PolarHBondContact OD1-NE 3.29Å; D308-R382 IonicContact OD2-CZ 2.74Å; D308-R382 VanDerWaalsContact OD2-CZ 3.31Å; D308-R382 IonicContact OD2-NE 3.36Å; D308-R382 PolarHBondContact OD2-NE 3.28Å; D308-R382 IonicContact OD2-NH2 3.48Å; D308-R382 PolarHBondContact OD2-NH2 3.09Å; D357-R382 IonicContact OD2-CZ 3.69Å; D357-R382 IonicContact OD2-NH1 2.64Å; D357-R382 IonicContact OD2-NH2 3.72Å; D357-R382 PolarHBondContact OD2-NH2 2.9Å; K379-R382 WeakPolarHBondContact O-CB 3.29Å; K379-R382 WeakPolarHBondContact O-CG 3.36Å; K379-R382 PolarHBondContact O-N 2.72Å; V380-R382 PolarHBondContact O-N 2.75Å; R382-L384 PolarHBondContact O-N 3.2Å; R382-R385 VanDerWaalsContact O-CB 3.25Å; R382-R385 WeakPolarHBondContact O-CB 3.27Å; R382-R385 VanDerWaalsContact O-CD 3.31Å; R382-R385 WeakPolarHBondContact O-CD 3.44Å; R382-R385 WeakPolarHBondContact O-CG 3.21Å; R382-R385 PolarHBondContact O-N 2.89Å |
| 383 | L | 72.2 | Confident | 68.9 | Low | 30 Ų | 30 | 47.1 Ų | 47.1 | 16% | 0.157 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -66.8 | -22.4 | 175.8 | -60.2 | -174.5 | 0 | 0 | 0 | 112.9 | A281 V380 V381 R385 I386 W417 | A281-L383 HydrophobicContact CB-CD2 4.34Å; V380-L383 HydrophobicContact CG1-CD1 4.1Å; V380-L383 VanDerWaalsContact O-CB 3.26Å; V380-L383 WeakPolarHBondContact O-CB 3.37Å; V380-L383 WeakPolarHBondContact O-CG 3.37Å; V380-L383 PolarHBondContact O-N 3Å; V381-L383 PolarHBondContact O-N 2.93Å; L383-R385 PolarHBondContact O-N 3.11Å; L383-I386 WeakPolarHBondContact O-CB 3.46Å; L383-I386 VanDerWaalsContact O-CG2 3.26Å; L383-I386 WeakPolarHBondContact O-CG2 3.16Å; L383-I386 PolarHBondContact O-N 3.06Å; L383-W417 HydrophobicContact CD1-CH2 4.14Å; L383-W417 HydrophobicContact CD1-CZ2 3.92Å; L383-W417 HydrophobicContact CD2-CZ2 4.01Å; L383-W417 HydrophobicContact CG-CZ2 4.48Å |
| 384 | L | 73.5 | Confident | 69.2 | Low | 78 Ų | 78 | 49.6 Ų | 49.6 | 41% | 0.408 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -61 | -17.1 | 174 | -60.2 | -179.7 | 0 | 0 | 0 | 112.9 | V348 V381 R382 I386 G387 | V348-L384 HydrophobicContact CG1-CB 3.83Å; V348-L384 HydrophobicContact CG1-CD1 4.37Å; V381-L384 HydrophobicContact CG1-CD1 3.95Å; V381-L384 WeakPolarHBondContact O-CB 3.39Å; V381-L384 WeakPolarHBondContact O-CG 3.3Å; V381-L384 PolarHBondContact O-N 3.26Å; V381-L384 VanDerWaalsContact O-N 3.08Å; R382-L384 PolarHBondContact O-N 3.2Å; L384-I386 PolarHBondContact O-N 3.22Å; L384-I386 VanDerWaalsContact O-N 3.12Å; L384-G387 PolarHBondContact O-N 3.42Å |
| 385 | R | 69.2 | Low | 69.4 | Low | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -55.9 | -23.7 | 170.2 | -65.4 | 170.9 | -177.9 | 179.3 | -0.7 | 112.5 | T277 D308 F311 S352 R382 L383 G387 R388 | T277-R385 HydrophobicContact CG2-CB 3.88Å; D308-R385 IonicContact OD1-CZ 3.63Å; D308-R385 IonicContact OD1-NH1 3.62Å; D308-R385 PolarHBondContact OD1-NH1 2.98Å; D308-R385 IonicContact OD1-NH2 2.69Å; D308-R385 PolarHBondContact OD1-NH2 3.43Å; F311-R385 HydrophobicContact CD1-CG 4.48Å; F311-R385 HydrophobicContact CE1-CB 4.47Å; F311-R385 HydrophobicContact CE1-CG 4.22Å; F311-R385 VanDerWaalsContact CE2-NH1 3.25Å; S352-R385 VanDerWaalsContact O-CZ 3.31Å; S352-R385 PolarHBondContact O-NE 3.42Å; S352-R385 PolarHBondContact O-NH2 2.72Å; S352-R385 WeakPolarHBondContact OG-CG 3.37Å; R382-R385 VanDerWaalsContact O-CB 3.25Å; R382-R385 WeakPolarHBondContact O-CB 3.27Å; R382-R385 VanDerWaalsContact O-CD 3.31Å; R382-R385 WeakPolarHBondContact O-CD 3.44Å; R382-R385 WeakPolarHBondContact O-CG 3.21Å; R382-R385 PolarHBondContact O-N 2.89Å; L383-R385 PolarHBondContact O-N 3.11Å; R385-G387 PolarHBondContact O-N 3.03Å; R385-G387 VanDerWaalsContact O-N 3.14Å; R385-R388 WeakPolarHBondContact O-CB 3.47Å; R385-R388 PolarHBondContact O-N 3.12Å |
| 386 | I | 73.1 | Confident | 69.6 | Low | 70 Ų | 70 | 47.9 Ų | 47.9 | 36% | 0.359 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -60.1 | -22.4 | 173.6 | -152.3 | 169.4 | 0 | 0 | 0 | 112.6 | L383 L384 R388 V389 T390 | L383-I386 WeakPolarHBondContact O-CB 3.46Å; L383-I386 VanDerWaalsContact O-CG2 3.26Å; L383-I386 WeakPolarHBondContact O-CG2 3.16Å; L383-I386 PolarHBondContact O-N 3.06Å; L384-I386 PolarHBondContact O-N 3.22Å; L384-I386 VanDerWaalsContact O-N 3.12Å; I386-R388 PolarHBondContact O-N 3.28Å; I386-V389 HydrophobicContact CG1-CG2 4.08Å; I386-V389 WeakPolarHBondContact O-CA 3.29Å; I386-V389 VanDerWaalsContact O-CB 3.25Å; I386-V389 WeakPolarHBondContact O-CB 3.36Å; I386-V389 WeakPolarHBondContact O-CG2 3.19Å; I386-V389 PolarHBondContact O-N 3.36Å; I386-T390 PolarHBondContact O-N 2.95Å |
| 387 | G | 69.8 | Low | 69.9 | Low | 11 Ų | 11 | 51 Ų | 51 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -66.2 | -7.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | W345 L384 R385 T390 R391 | W345-G387 WeakPolarHBondContact CH2-O 3.3Å; L384-G387 PolarHBondContact O-N 3.42Å; R385-G387 PolarHBondContact O-N 3.03Å; R385-G387 VanDerWaalsContact O-N 3.14Å; G387-T390 PolarHBondContact O-OG1 3.47Å; G387-R391 WeakPolarHBondContact O-CG 3.48Å; G387-R391 PolarHBondContact O-NE 3Å |
| 388 | R | 72 | Confident | 70.2 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 7% | 0.072 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -78.3 | -34.8 | 163.8 | -70.5 | 179.2 | 164.6 | 90.5 | -18.9 | 111.7 | D314 D349 R385 I386 T390 R391 | D314-R388 IonicContact OD2-CZ 2.73Å; D314-R388 IonicContact OD2-NE 3.02Å; D314-R388 PolarHBondContact OD2-NE 2.97Å; D314-R388 IonicContact OD2-NH2 2.62Å; D314-R388 PolarHBondContact OD2-NH2 3.02Å; D349-R388 IonicContact OD1-CZ 2.89Å; D349-R388 VanDerWaalsContact OD1-CZ 3.27Å; D349-R388 IonicContact OD1-NE 3.41Å; D349-R388 IonicContact OD1-NH1 3.61Å; D349-R388 PolarHBondContact OD1-NH1 3.49Å; D349-R388 IonicContact OD1-NH2 3.93Å; R385-R388 WeakPolarHBondContact O-CB 3.47Å; R385-R388 PolarHBondContact O-N 3.12Å; I386-R388 PolarHBondContact O-N 3.28Å; R388-T390 VanDerWaalsContact C-N 3.29Å; R388-T390 PolarHBondContact O-N 3.44Å; R388-R391 WeakPolarHBondContact O-CB 3.43Å; R388-R391 PolarHBondContact O-N 2.84Å; R388-R391 VanDerWaalsContact O-N 3.15Å |
| 389 | V | 69.1 | Low | 70.5 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -40.3 | 177 | -169.8 | 0 | 0 | 0 | 0 | 110.1 | L274 T277 I386 R391 K392 L393 L406 | L274-V389 HydrophobicContact CD1-CB 4.39Å; L274-V389 HydrophobicContact CD1-CG1 4.01Å; L274-V389 HydrophobicContact CD1-CG2 3.67Å; T277-V389 HydrophobicContact CG2-CG2 4.35Å; I386-V389 HydrophobicContact CG1-CG2 4.08Å; I386-V389 WeakPolarHBondContact O-CA 3.29Å; I386-V389 VanDerWaalsContact O-CB 3.25Å; I386-V389 WeakPolarHBondContact O-CB 3.36Å; I386-V389 WeakPolarHBondContact O-CG2 3.19Å; I386-V389 PolarHBondContact O-N 3.36Å; V389-R391 PolarHBondContact O-N 3.13Å; V389-K392 CarbonylContact O-C 3.57Å; V389-K392 PolarHBondContact O-N 2.81Å; V389-L393 PolarHBondContact O-N 3.05Å; V389-L406 HydrophobicContact CG1-CD1 4.37Å |
| 390 | T | 68.7 | Low | 70.8 | Confident | 67 Ų | 67 | 60.3 Ų | 60.3 | 41% | 0.411 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.7 | -28.8 | 177.3 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | I386 G387 R388 K392 L393 | I386-T390 PolarHBondContact O-N 2.95Å; G387-T390 PolarHBondContact O-OG1 3.47Å; R388-T390 VanDerWaalsContact C-N 3.29Å; R388-T390 PolarHBondContact O-N 3.44Å; T390-K392 PolarHBondContact O-N 2.77Å; T390-L393 PolarHBondContact O-N 2.93Å |
| 391 | R | 67.7 | Low | 71.2 | Confident | 82 Ų | 82 | 59.8 Ų | 59.8 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.5 | -12.1 | 174.3 | -52.2 | 175.8 | -153.5 | 167.4 | 10.4 | 113.7 | W345 D349 G387 R388 V389 | W345-R391 HydrophobicContact CZ2-CG 4.3Å; D349-R391 IonicContact OD1-CZ 3.6Å; D349-R391 IonicContact OD1-NH1 2.77Å; D349-R391 IonicContact OD1-NH2 2.91Å; D349-R391 PolarHBondContact OD1-NH2 2.9Å; D349-R391 IonicContact OD2-CZ 3.76Å; D349-R391 VanDerWaalsContact OD2-CZ 3.3Å; D349-R391 IonicContact OD2-NH1 2.81Å; D349-R391 PolarHBondContact OD2-NH1 2.77Å; D349-R391 IonicContact OD2-NH2 3.6Å; D349-R391 PolarHBondContact OD2-NH2 2.91Å; G387-R391 WeakPolarHBondContact O-CG 3.48Å; G387-R391 PolarHBondContact O-NE 3Å; R388-R391 WeakPolarHBondContact O-CB 3.43Å; R388-R391 PolarHBondContact O-N 2.84Å; R388-R391 VanDerWaalsContact O-N 3.15Å; V389-R391 PolarHBondContact O-N 3.13Å |
| 392 | K | 67.4 | Low | 71.3 | Confident | 44 Ų | 44 | 59.8 Ų | 59.8 | 19% | 0.191 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -117.6 | -4.9 | 176 | -65.6 | -67.6 | -173.2 | 165.9 | 0 | 112.7 | D270 V389 T390 D394 Q395 Y396 | D270-K392 WeakPolarHBondContact OD2-CE 3.43Å; D270-K392 IonicContact OD2-NZ 2.61Å; D270-K392 PolarHBondContact OD2-NZ 3.41Å; V389-K392 CarbonylContact O-C 3.57Å; V389-K392 PolarHBondContact O-N 2.81Å; T390-K392 PolarHBondContact O-N 2.77Å; K392-D394 VanDerWaalsContact C-N 3.33Å; K392-D394 PolarHBondContact O-N 3.22Å; K392-Q395 PolarHBondContact O-N 3.14Å; K392-Y396 HydrophobicContact CB-CD2 3.94Å; K392-Y396 HydrophobicContact CB-CE2 3.57Å; K392-Y396 VanDerWaalsContact O-CD2 3.26Å; K392-Y396 WeakPolarHBondContact O-CD2 3.25Å; K392-Y396 PolarHBondContact O-N 3.48Å; K392-Y396 VanDerWaalsContact O-N 3.1Å |
| 393 | L | 71.9 | Confident | 71.5 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | -173 | -179.4 | 61.6 | 0 | 0 | 0 | 111.1 | V389 T390 Q395 Y396 L397 L406 | V389-L393 PolarHBondContact O-N 3.05Å; T390-L393 PolarHBondContact O-N 2.93Å; L393-Q395 VanDerWaalsContact C-N 3.34Å; L393-Q395 PolarHBondContact O-N 3.18Å; L393-Y396 CarbonylContact O-C 3.56Å; L393-Y396 PolarHBondContact O-N 2.8Å; L393-L397 HydrophobicContact CD1-CD1 4.18Å; L393-L397 HydrophobicContact CD1-CD2 4.16Å; L393-L397 HydrophobicContact CD1-CG 3.87Å; L393-L397 HydrophobicContact CD2-CD1 4.36Å; L393-L397 HydrophobicContact CG-CD1 3.8Å; L393-L397 HydrophobicContact CG-CG 3.97Å; L393-L397 WeakPolarHBondContact O-CB 3.35Å; L393-L397 VanDerWaalsContact O-CG 3.29Å; L393-L397 WeakPolarHBondContact O-CG 3.31Å; L393-L397 PolarHBondContact O-N 2.76Å; L393-L406 HydrophobicContact CD1-CD2 3.93Å; L393-L406 HydrophobicContact CD1-CG 4.5Å |
| 394 | D | 69.6 | Low | 71.9 | Confident | 123 Ų | 123 | 61.1 Ų | 61.1 | 66% | 0.658 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -54.6 | -49.4 | 175.9 | -59.1 | -28.9 | 0 | 0 | 0 | 111.5 | K392 Y396 L397 E398 | K392-D394 VanDerWaalsContact C-N 3.33Å; K392-D394 PolarHBondContact O-N 3.22Å; D394-Y396 VanDerWaalsContact C-N 3.27Å; D394-Y396 PolarHBondContact O-N 3.37Å; D394-L397 PolarHBondContact O-N 3.02Å; D394-E398 PolarHBondContact O-N 3.03Å |
| 395 | Q | 68.8 | Low | 72.2 | Confident | 96 Ų | 96 | 63.2 Ų | 63.2 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.2 | -28.6 | 177.2 | -171.3 | 178.7 | 10 | 0 | 0 | 112.9 | K392 L393 Y399 | K392-Q395 PolarHBondContact O-N 3.14Å; L393-Q395 VanDerWaalsContact C-N 3.34Å; L393-Q395 PolarHBondContact O-N 3.18Å; Q395-Y399 VanDerWaalsContact O-CD2 3.25Å; Q395-Y399 WeakPolarHBondContact O-CD2 3.42Å |
| 396 | Y | 69.5 | Low | 72.7 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 11% | 0.114 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -87.6 | -23.5 | 175.7 | -65.4 | -48.3 | 0 | 0 | 0 | 113.9 | W271 L274 K392 L393 D394 Y399 | W271-Y396 AromaticContact CH2-CE1 3.66Å; W271-Y396 HydrophobicContact CH2-CE1 3.66Å; W271-Y396 AromaticContact CH2-CZ 3.95Å; W271-Y396 AromaticContact CZ2-CE1 3.57Å; W271-Y396 HydrophobicContact CZ2-CE1 3.57Å; W271-Y396 AromaticContact CZ2-CZ 3.95Å; W271-Y396 WeakPolarHBondContact CZ2-OH 3.26Å; W271-Y396 HydrophobicContact CZ3-CE1 4.48Å; L274-Y396 HydrophobicContact CD2-CE2 4.01Å; K392-Y396 HydrophobicContact CB-CD2 3.94Å; K392-Y396 HydrophobicContact CB-CE2 3.57Å; K392-Y396 VanDerWaalsContact O-CD2 3.26Å; K392-Y396 WeakPolarHBondContact O-CD2 3.25Å; K392-Y396 PolarHBondContact O-N 3.48Å; K392-Y396 VanDerWaalsContact O-N 3.1Å; L393-Y396 CarbonylContact O-C 3.56Å; L393-Y396 PolarHBondContact O-N 2.8Å; D394-Y396 VanDerWaalsContact C-N 3.27Å; D394-Y396 PolarHBondContact O-N 3.37Å; Y396-Y399 PolarHBondContact O-N 3.39Å; Y396-Y399 VanDerWaalsContact O-O 3.12Å |
| 397 | L | 69.8 | Low | 72.9 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 45% | 0.45 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -75.6 | -25.2 | 175.4 | -72.9 | 178.6 | 0 | 0 | 0 | 112.4 | L393 D394 Y399 S403 | L393-L397 HydrophobicContact CD1-CD1 4.18Å; L393-L397 HydrophobicContact CD1-CD2 4.16Å; L393-L397 HydrophobicContact CD1-CG 3.87Å; L393-L397 HydrophobicContact CD2-CD1 4.36Å; L393-L397 HydrophobicContact CG-CD1 3.8Å; L393-L397 HydrophobicContact CG-CG 3.97Å; L393-L397 WeakPolarHBondContact O-CB 3.35Å; L393-L397 VanDerWaalsContact O-CG 3.29Å; L393-L397 WeakPolarHBondContact O-CG 3.31Å; L393-L397 PolarHBondContact O-N 2.76Å; D394-L397 PolarHBondContact O-N 3.02Å; L397-Y399 PolarHBondContact O-N 3.41Å; L397-S403 WeakPolarHBondContact CD2-OG 3.32Å |
| 398 | E | 71 | Confident | 73.6 | Confident | 147 Ų | 147 | 68 Ų | 68 | 69% | 0.687 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -57.9 | -37.2 | 167.8 | -71.6 | 176 | 171.6 | 0 | 0 | 111.9 | D394 M400 | D394-E398 PolarHBondContact O-N 3.03Å; E398-M400 PolarHBondContact O-N 2.98Å |
| 399 | Y | 74.8 | Confident | 74.1 | Confident | 134 Ų | 134 | 70.6 Ų | 70.6 | 53% | 0.525 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -92.4 | 98.4 | 178.1 | -62.8 | -87 | 0 | 0 | 0 | 111 | Q395 Y396 L397 A401 A402 S403 | Q395-Y399 VanDerWaalsContact O-CD2 3.25Å; Q395-Y399 WeakPolarHBondContact O-CD2 3.42Å; Y396-Y399 PolarHBondContact O-N 3.39Å; Y396-Y399 VanDerWaalsContact O-O 3.12Å; L397-Y399 PolarHBondContact O-N 3.41Å; Y399-A401 PolarHBondContact O-N 3.42Å; Y399-A402 WeakPolarHBondContact O-CA 3.36Å; Y399-A402 WeakPolarHBondContact O-CB 3.42Å; Y399-A402 PolarHBondContact O-N 3.36Å; Y399-S403 PolarHBondContact O-N 3.22Å |
| 400 | M | 74.1 | Confident | 74.7 | Confident | 66 Ų | 66 | 71 Ų | 71 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -48.4 | -40.3 | -176.2 | -57.3 | -157.2 | 77.2 | 0 | 0 | 114.7 | E398 S403 L404 I508 M512 | E398-M400 PolarHBondContact O-N 2.98Å; M400-S403 WeakPolarHBondContact O-CB 3.4Å; M400-L404 PolarHBondContact O-N 2.92Å; M400-L404 VanDerWaalsContact O-N 3.16Å; M400-I508 HydrophobicContact CB-CG2 4.37Å; M400-I508 HydrophobicContact CE-CB 4.47Å; M400-I508 HydrophobicContact CE-CG2 4.33Å; M400-I508 WeakPolarHBondContact CE-O 3.42Å; M400-M512 HydrophobicContact CB-CG 3.96Å; M400-M512 HydrophobicContact CB-SD 4.4Å; M400-M512 HydrophobicContact CE-CG 4.2Å; M400-M512 HydrophobicContact CG-CG 4.47Å; M400-M512 HydrophobicContact SD-CG 3.74Å |
| 401 | A | 77.7 | Confident | 75.4 | Confident | 69 Ų | 69 | 69.6 Ų | 69.6 | 57% | 0.57 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -71.8 | -33.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y399 L404 L405 | Y399-A401 PolarHBondContact O-N 3.42Å; A401-L404 PolarHBondContact O-N 3.16Å; A401-L405 PolarHBondContact O-N 3.41Å; A401-L405 VanDerWaalsContact O-N 3.09Å |
| 402 | A | 77 | Confident | 76.3 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 26% | 0.264 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70.6 | -38 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y399 L404 L405 L406 | Y399-A402 WeakPolarHBondContact O-CA 3.36Å; Y399-A402 WeakPolarHBondContact O-CB 3.42Å; Y399-A402 PolarHBondContact O-N 3.36Å; A402-L404 VanDerWaalsContact C-N 3.35Å; A402-L404 PolarHBondContact O-N 3.34Å; A402-L405 PolarHBondContact O-N 2.91Å; A402-L406 WeakPolarHBondContact O-CB 3.39Å; A402-L406 PolarHBondContact O-N 2.89Å |
| 403 | S | 74.7 | Confident | 77.3 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 170.9 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | L397 Y399 M400 L406 M407 | L397-S403 WeakPolarHBondContact CD2-OG 3.32Å; Y399-S403 PolarHBondContact O-N 3.22Å; M400-S403 WeakPolarHBondContact O-CB 3.4Å; S403-L406 PolarHBondContact O-N 3.46Å; S403-M407 WeakPolarHBondContact O-CB 3.46Å; S403-M407 PolarHBondContact O-N 3.32Å |
| 404 | L | 79.8 | Confident | 78 | Confident | 41 Ų | 41 | 69.5 Ų | 69.5 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 175 | -177.6 | 62.7 | 0 | 0 | 0 | 112.1 | M400 A401 A402 L406 M407 I408 V505 I508 | M400-L404 PolarHBondContact O-N 2.92Å; M400-L404 VanDerWaalsContact O-N 3.16Å; A401-L404 PolarHBondContact O-N 3.16Å; A402-L404 VanDerWaalsContact C-N 3.35Å; A402-L404 PolarHBondContact O-N 3.34Å; L404-L406 PolarHBondContact O-N 2.91Å; L404-M407 HydrophobicContact CD1-CE 4.01Å; L404-M407 PolarHBondContact O-N 3.34Å; L404-I408 HydrophobicContact CD1-CD1 4.07Å; L404-I408 HydrophobicContact CD1-CG1 4.46Å; L404-I408 HydrophobicContact CG-CD1 3.94Å; L404-I408 WeakPolarHBondContact O-CG1 3.08Å; L404-I408 PolarHBondContact O-N 2.97Å; L404-V505 HydrophobicContact CD1-CG2 4.06Å; L404-I508 HydrophobicContact CB-CD1 4.3Å; L404-I508 HydrophobicContact CB-CG2 4.48Å |
| 405 | L | 81.4 | Confident | 78.9 | Confident | 122 Ų | 122 | 63.6 Ų | 63.6 | 64% | 0.639 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 177.9 | 178.9 | 62.3 | 0 | 0 | 0 | 112.2 | A401 A402 M407 I408 S409 | A401-L405 PolarHBondContact O-N 3.41Å; A401-L405 VanDerWaalsContact O-N 3.09Å; A402-L405 PolarHBondContact O-N 2.91Å; L405-M407 VanDerWaalsContact C-N 3.35Å; L405-I408 PolarHBondContact O-N 2.98Å; L405-S409 VanDerWaalsContact O-CB 3.29Å; L405-S409 WeakPolarHBondContact O-CB 3.38Å; L405-S409 PolarHBondContact O-N 3.08Å |
| 406 | L | 79 | Confident | 80 | Confident | 67 Ų | 67 | 59.4 Ų | 59.4 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 179 | -173.9 | 40.1 | 0 | 0 | 0 | 111.1 | V389 L393 A402 S403 L404 G410 | V389-L406 HydrophobicContact CG1-CD1 4.37Å; L393-L406 HydrophobicContact CD1-CD2 3.93Å; L393-L406 HydrophobicContact CD1-CG 4.5Å; A402-L406 WeakPolarHBondContact O-CB 3.39Å; A402-L406 PolarHBondContact O-N 2.89Å; S403-L406 PolarHBondContact O-N 3.46Å; L404-L406 PolarHBondContact O-N 2.91Å; L406-G410 PolarHBondContact O-N 3.48Å |
| 407 | M | 78.1 | Confident | 81 | Confident | 25 Ų | 25 | 61 Ų | 61 | 12% | 0.123 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.1 | -42.6 | 174.3 | 177.5 | 169.7 | 48.6 | 0 | 0 | 113.3 | S403 L404 L405 S409 G410 F411 I501 N504 V505 I508 | S403-M407 WeakPolarHBondContact O-CB 3.46Å; S403-M407 PolarHBondContact O-N 3.32Å; L404-M407 HydrophobicContact CD1-CE 4.01Å; L404-M407 PolarHBondContact O-N 3.34Å; L405-M407 VanDerWaalsContact C-N 3.35Å; M407-S409 VanDerWaalsContact C-N 3.34Å; M407-G410 PolarHBondContact O-N 3.46Å; M407-F411 PolarHBondContact O-N 3.34Å; M407-I501 HydrophobicContact CG-CG1 4.45Å; M407-I501 HydrophobicContact CG-CG2 4.17Å; M407-I501 HydrophobicContact SD-CB 4.39Å; M407-I501 HydrophobicContact SD-CG2 4.01Å; M407-N504 HydrophobicContact CE-CB 4Å; M407-N504 HydrophobicContact SD-CB 3.43Å; M407-N504 WeakPolarHBondContact SD-CB 3.26Å; M407-V505 HydrophobicContact CE-CB 4.31Å; M407-V505 HydrophobicContact CE-CG2 3.4Å; M407-V505 HydrophobicContact SD-CG2 4.24Å; M407-I508 HydrophobicContact CE-CD1 3.68Å |
| 408 | I | 83.2 | Confident | 81.9 | Confident | 90 Ų | 90 | 59.9 Ų | 59.9 | 46% | 0.462 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 175.4 | -69.1 | 167.2 | 0 | 0 | 0 | 110.3 | L404 L405 F411 V412 | L404-I408 HydrophobicContact CD1-CD1 4.07Å; L404-I408 HydrophobicContact CD1-CG1 4.46Å; L404-I408 HydrophobicContact CG-CD1 3.94Å; L404-I408 WeakPolarHBondContact O-CG1 3.08Å; L404-I408 PolarHBondContact O-N 2.97Å; L405-I408 PolarHBondContact O-N 2.98Å; I408-F411 PolarHBondContact O-N 3.46Å; I408-V412 WeakPolarHBondContact O-CG2 3.48Å; I408-V412 PolarHBondContact O-N 2.97Å |
| 409 | S | 82.8 | Confident | 82.9 | Confident | 72 Ų | 72 | 52.9 Ų | 52.9 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 173.8 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | L405 M407 F411 V412 L413 | L405-S409 VanDerWaalsContact O-CB 3.29Å; L405-S409 WeakPolarHBondContact O-CB 3.38Å; L405-S409 PolarHBondContact O-N 3.08Å; M407-S409 VanDerWaalsContact C-N 3.34Å; S409-F411 VanDerWaalsContact C-N 3.35Å; S409-F411 PolarHBondContact O-N 3.34Å; S409-V412 PolarHBondContact O-N 3.04Å; S409-L413 VanDerWaalsContact O-CB 3.3Å; S409-L413 WeakPolarHBondContact O-CB 3.32Å; S409-L413 PolarHBondContact O-N 2.89Å |
| 410 | G | 81.7 | Confident | 83.6 | Confident | 30 Ų | 30 | 46.8 Ų | 46.8 | 31% | 0.309 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L406 M407 L414 | L406-G410 PolarHBondContact O-N 3.48Å; M407-G410 PolarHBondContact O-N 3.46Å; G410-L414 WeakPolarHBondContact O-CB 3.43Å; G410-L414 PolarHBondContact O-N 2.98Å |
| 411 | F | 83.3 | Confident | 84.3 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 17% | 0.167 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.7 | -47.3 | 174.7 | 173.4 | -104.8 | 0 | 0 | 0 | 112.4 | M407 I408 S409 L413 L414 A415 L478 I481 T482 I501 | M407-F411 PolarHBondContact O-N 3.34Å; I408-F411 PolarHBondContact O-N 3.46Å; S409-F411 VanDerWaalsContact C-N 3.35Å; S409-F411 PolarHBondContact O-N 3.34Å; F411-L413 VanDerWaalsContact C-N 3.31Å; F411-L413 PolarHBondContact O-N 3.44Å; F411-L414 PolarHBondContact O-N 2.99Å; F411-A415 PolarHBondContact O-N 3.03Å; F411-L478 HydrophobicContact CE1-CD2 4.21Å; F411-I481 HydrophobicContact CD2-CG2 4.33Å; F411-I481 HydrophobicContact CE2-CB 4.04Å; F411-I481 HydrophobicContact CE2-CG2 3.63Å; F411-T482 HydrophobicContact CZ-CG2 3.87Å; F411-I501 HydrophobicContact CB-CD1 3.97Å; F411-I501 HydrophobicContact CD2-CD1 3.42Å; F411-I501 VanDerWaalsContact CD2-CD1 3.42Å; F411-I501 HydrophobicContact CE2-CD1 4.28Å; F411-I501 HydrophobicContact CG-CD1 4.07Å |
| 412 | V | 87.4 | Confident | 84.8 | Confident | 83 Ų | 83 | 47 Ų | 47 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 176.8 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | I408 S409 A415 H416 | I408-V412 WeakPolarHBondContact O-CG2 3.48Å; I408-V412 PolarHBondContact O-N 2.97Å; S409-V412 PolarHBondContact O-N 3.04Å; V412-A415 PolarHBondContact O-N 3.47Å; V412-H416 WeakPolarHBondContact O-CB 3.43Å; V412-H416 PolarHBondContact O-N 3.48Å |
| 413 | L | 87.7 | Confident | 85.3 | Confident | 28 Ų | 28 | 46.7 Ų | 46.7 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 175.9 | -174.9 | 64.6 | 0 | 0 | 0 | 112.3 | A281 V282 S409 F411 H416 W417 | A281-L413 HydrophobicContact CB-CD1 3.85Å; A281-L413 HydrophobicContact CB-CD2 4Å; V282-L413 HydrophobicContact CG2-CD1 3.98Å; S409-L413 VanDerWaalsContact O-CB 3.3Å; S409-L413 WeakPolarHBondContact O-CB 3.32Å; S409-L413 PolarHBondContact O-N 2.89Å; F411-L413 VanDerWaalsContact C-N 3.31Å; F411-L413 PolarHBondContact O-N 3.44Å; L413-H416 WeakPolarHBondContact O-CB 3.24Å; L413-H416 PolarHBondContact O-N 3.46Å; L413-W417 HydrophobicContact CD1-CZ2 4.4Å; L413-W417 HydrophobicContact CD2-CZ2 3.93Å; L413-W417 HydrophobicContact CG-CZ2 4.08Å; L413-W417 VanDerWaalsContact O-CD1 3.3Å; L413-W417 PolarHBondContact O-N 2.83Å |
| 414 | L | 86 | Confident | 85.8 | Confident | 61 Ų | 61 | 48.7 Ų | 48.7 | 32% | 0.319 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 175.5 | 178.2 | 61.7 | 0 | 0 | 0 | 111.7 | G410 F411 H416 W417 L418 | G410-L414 WeakPolarHBondContact O-CB 3.43Å; G410-L414 PolarHBondContact O-N 2.98Å; F411-L414 PolarHBondContact O-N 2.99Å; L414-H416 VanDerWaalsContact C-N 3.3Å; L414-H416 PolarHBondContact O-N 3.27Å; L414-W417 PolarHBondContact O-N 3.14Å; L414-L418 HydrophobicContact CD1-CD1 4.05Å; L414-L418 HydrophobicContact CD1-CG 4.31Å; L414-L418 HydrophobicContact CG-CD1 4.04Å; L414-L418 WeakPolarHBondContact O-CB 3.48Å; L414-L418 WeakPolarHBondContact O-CG 3.36Å; L414-L418 PolarHBondContact O-N 3.24Å |
| 415 | A | 89.1 | Confident | 86 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61 | -39.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | F411 V412 A419 L474 T477 L478 I481 | F411-A415 PolarHBondContact O-N 3.03Å; V412-A415 PolarHBondContact O-N 3.47Å; A415-A419 WeakPolarHBondContact O-CB 3.49Å; A415-A419 PolarHBondContact O-N 2.82Å; A415-L474 HydrophobicContact CB-CD1 4.29Å; A415-T477 PolarHBondContact O-OG1 2.99Å; A415-L478 HydrophobicContact CB-CD2 3.57Å; A415-L478 HydrophobicContact CB-CG 4.09Å; A415-I481 HydrophobicContact CB-CD1 3.76Å |
| 416 | H | 92 | Very high | 86.2 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.7 | -46.1 | 173.3 | 174 | 62.6 | 0 | 0 | 0 | 113 | V282 F286 V412 L413 L414 L418 A419 C420 Y470 | V282-H416 WeakPolarHBondContact CA-NE2 3.22Å; V282-H416 WeakPolarHBondContact CG1-NE2 3.48Å; V282-H416 PolarHBondContact O-NE2 3.08Å; F286-H416 WeakPolarHBondContact CB-CE1 3.32Å; F286-H416 AromaticContact CD2-CE1 3.34Å; F286-H416 WeakPolarHBondContact CD2-CE1 3.46Å; F286-H416 AromaticContact CG-CE1 3.7Å; F286-H416 PolarHBondContact N-NE2 3.18Å; V412-H416 WeakPolarHBondContact O-CB 3.43Å; V412-H416 PolarHBondContact O-N 3.48Å; L413-H416 WeakPolarHBondContact O-CB 3.24Å; L413-H416 PolarHBondContact O-N 3.46Å; L414-H416 VanDerWaalsContact C-N 3.3Å; L414-H416 PolarHBondContact O-N 3.27Å; H416-L418 VanDerWaalsContact C-N 3.35Å; H416-L418 PolarHBondContact O-N 2.77Å; H416-A419 WeakPolarHBondContact O-CB 3.15Å; H416-A419 PolarHBondContact O-N 2.92Å; H416-A419 VanDerWaalsContact O-N 3.14Å; H416-C420 PolarHBondContact CE1-SG 2.99Å; H416-C420 PolarHBondContact O-N 2.94Å; H416-C420 PolarHBondContact O-SG 2.97Å; H416-Y470 AromaticContact CE1-CE2 3.26Å; H416-Y470 WeakPolarHBondContact CE1-CE2 3.48Å; H416-Y470 AromaticContact CE1-CZ 3.85Å; H416-Y470 AromaticContact ND1-CE2 3.5Å; H416-Y470 AromaticContact ND1-CZ 3.84Å; H416-Y470 PolarHBondContact ND1-OH 3.4Å |
| 417 | W | 90.2 | Very high | 86.2 | Confident | 64 Ų | 64 | 41.6 Ų | 41.6 | 24% | 0.242 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 176.5 | -71 | 4.4 | 0 | 0 | 0 | 111.6 | A281 P285 L383 L413 L414 A419 C420 I421 | A281-W417 HydrophobicContact CB-CZ2 4.48Å; A281-W417 PolarHBondContact O-NE1 2.98Å; P285-W417 HydrophobicContact CG-CG 4.49Å; L383-W417 HydrophobicContact CD1-CH2 4.14Å; L383-W417 HydrophobicContact CD1-CZ2 3.92Å; L383-W417 HydrophobicContact CD2-CZ2 4.01Å; L383-W417 HydrophobicContact CG-CZ2 4.48Å; L413-W417 HydrophobicContact CD1-CZ2 4.4Å; L413-W417 HydrophobicContact CD2-CZ2 3.93Å; L413-W417 HydrophobicContact CG-CZ2 4.08Å; L413-W417 VanDerWaalsContact O-CD1 3.3Å; L413-W417 PolarHBondContact O-N 2.83Å; L414-W417 PolarHBondContact O-N 3.14Å; W417-A419 VanDerWaalsContact C-N 3.3Å; W417-A419 PolarHBondContact O-N 3.41Å; W417-C420 PolarHBondContact O-N 3.24Å; W417-I421 VanDerWaalsContact O-CG1 3.32Å; W417-I421 WeakPolarHBondContact O-CG1 3.42Å; W417-I421 PolarHBondContact O-N 3.42Å |
| 418 | L | 89.4 | Confident | 86.4 | Confident | 61 Ų | 61 | 43.4 Ų | 43.4 | 32% | 0.319 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.1 | -34.5 | 175.5 | -70.1 | 168.1 | 0 | 0 | 0 | 111.9 | L414 H416 I421 W422 T477 I481 | L414-L418 HydrophobicContact CD1-CD1 4.05Å; L414-L418 HydrophobicContact CD1-CG 4.31Å; L414-L418 HydrophobicContact CG-CD1 4.04Å; L414-L418 WeakPolarHBondContact O-CB 3.48Å; L414-L418 WeakPolarHBondContact O-CG 3.36Å; L414-L418 PolarHBondContact O-N 3.24Å; H416-L418 VanDerWaalsContact C-N 3.35Å; H416-L418 PolarHBondContact O-N 2.77Å; L418-I421 PolarHBondContact O-N 3.07Å; L418-W422 WeakPolarHBondContact O-CB 3.08Å; L418-W422 PolarHBondContact O-N 2.94Å; L418-T477 HydrophobicContact CB-CG2 3.86Å; L418-I481 HydrophobicContact CD1-CD1 3.73Å; L418-I481 HydrophobicContact CD1-CG1 4.14Å |
| 419 | A | 90.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65 | -45.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A415 H416 W417 I421 W422 Y423 L474 T477 | A415-A419 WeakPolarHBondContact O-CB 3.49Å; A415-A419 PolarHBondContact O-N 2.82Å; H416-A419 WeakPolarHBondContact O-CB 3.15Å; H416-A419 PolarHBondContact O-N 2.92Å; H416-A419 VanDerWaalsContact O-N 3.14Å; W417-A419 VanDerWaalsContact C-N 3.3Å; W417-A419 PolarHBondContact O-N 3.41Å; A419-I421 VanDerWaalsContact C-N 3.32Å; A419-I421 PolarHBondContact O-N 3.41Å; A419-W422 PolarHBondContact O-N 2.96Å; A419-Y423 PolarHBondContact O-N 3.46Å; A419-L474 HydrophobicContact CB-CB 4.06Å; A419-L474 HydrophobicContact CB-CD1 4.1Å; A419-T477 HydrophobicContact CB-CG2 4.45Å |
| 420 | C | 90.4 | Very high | 86.1 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 174.2 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | P285 A289 F290 H416 W417 S424 | P285-C420 HydrophobicContact CB-CB 4.07Å; A289-C420 HydrophobicContact CB-CB 3.84Å; A289-C420 WeakPolarHBondContact CB-O 3.43Å; F290-C420 HydrophobicContact CE2-CB 4.46Å; H416-C420 PolarHBondContact CE1-SG 2.99Å; H416-C420 PolarHBondContact O-N 2.94Å; H416-C420 PolarHBondContact O-SG 2.97Å; W417-C420 PolarHBondContact O-N 3.24Å; C420-S424 WeakPolarHBondContact O-CB 3.42Å; C420-S424 PolarHBondContact O-N 3.04Å |
| 421 | I | 88.1 | Confident | 85.8 | Confident | 99 Ų | 99 | 44 Ų | 44 | 51% | 0.508 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.6 | -47.1 | 174 | -68.2 | 164 | 0 | 0 | 0 | 110.6 | W417 L418 A419 Y423 S424 V425 | W417-I421 VanDerWaalsContact O-CG1 3.32Å; W417-I421 WeakPolarHBondContact O-CG1 3.42Å; W417-I421 PolarHBondContact O-N 3.42Å; L418-I421 PolarHBondContact O-N 3.07Å; A419-I421 VanDerWaalsContact C-N 3.32Å; A419-I421 PolarHBondContact O-N 3.41Å; I421-Y423 VanDerWaalsContact C-N 3.3Å; I421-Y423 PolarHBondContact O-N 3.2Å; I421-S424 WeakPolarHBondContact O-CB 3.29Å; I421-S424 PolarHBondContact O-N 3.22Å; I421-S424 VanDerWaalsContact O-N 3.1Å; I421-V425 HydrophobicContact CG2-CG2 4.46Å; I421-V425 WeakPolarHBondContact O-CG2 3.32Å; I421-V425 PolarHBondContact O-N 2.75Å |
| 422 | W | 88.2 | Confident | 85.6 | Confident | 42 Ų | 42 | 47.5 Ų | 47.5 | 16% | 0.159 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.9 | -35.3 | -180 | -177.6 | -118.3 | 0 | 0 | 0 | 113.1 | L418 A419 G426 W438 F476 T477 V489 A491 | L418-W422 WeakPolarHBondContact O-CB 3.08Å; L418-W422 PolarHBondContact O-N 2.94Å; A419-W422 PolarHBondContact O-N 2.96Å; W422-G426 PolarHBondContact O-N 3.44Å; W422-G426 VanDerWaalsContact O-N 3.13Å; W422-W438 AromaticContact CD1-CE2 3.74Å; W422-W438 AromaticContact CD1-CZ2 3.86Å; W422-W438 AromaticContact CD1-NE1 3.76Å; W422-W438 AromaticContact CD2-NE1 3.82Å; W422-W438 AromaticContact CE2-CD1 3.33Å; W422-W438 AromaticContact CE2-CE2 3.96Å; W422-W438 AromaticContact CE2-CG 3.75Å; W422-W438 AromaticContact CE2-NE1 3.44Å; W422-W438 AromaticContact CH2-CD1 3.8Å; W422-W438 HydrophobicContact CH2-CG 4.4Å; W422-W438 HydrophobicContact CZ2-CB 3.76Å; W422-W438 AromaticContact CZ2-CD1 3.23Å; W422-W438 HydrophobicContact CZ2-CD2 4.36Å; W422-W438 AromaticContact CZ2-CG 3.54Å; W422-W438 HydrophobicContact CZ2-CG 3.54Å; W422-W438 AromaticContact CZ2-NE1 3.87Å; W422-W438 AromaticContact NE1-CD1 3.62Å; W422-W438 AromaticContact NE1-CD2 3.63Å; W422-W438 AromaticContact NE1-CE2 3.43Å; W422-W438 AromaticContact NE1-CG 3.75Å; W422-W438 AromaticContact NE1-CZ2 3.96Å; W422-W438 AromaticContact NE1-NE1 3.4Å; W422-W438 PolarHBondContact O-NE1 3.07Å; W422-F476 AromaticContact CD1-CD1 3.55Å; W422-F476 AromaticContact CD2-CD1 3.88Å; W422-F476 HydrophobicContact CD2-CD1 3.88Å; W422-F476 AromaticContact CD2-CE1 3.89Å; W422-F476 HydrophobicContact CD2-CE1 3.89Å; W422-F476 AromaticContact CE2-CD1 3.6Å; W422-F476 AromaticContact CE2-CE1 3.75Å; W422-F476 HydrophobicContact CE3-CE1 4.33Å; W422-F476 AromaticContact CG-CD1 3.85Å; W422-F476 HydrophobicContact CG-CD1 3.85Å; W422-F476 HydrophobicContact CG-CE1 4.27Å; W422-F476 HydrophobicContact CZ2-CD1 4.27Å; W422-F476 HydrophobicContact CZ2-CE1 4.1Å; W422-F476 AromaticContact NE1-CD1 3.37Å; W422-F476 AromaticContact NE1-CG 3.91Å; W422-T477 HydrophobicContact CB-CG2 4.38Å; W422-V489 HydrophobicContact CZ2-CG1 4.31Å; W422-A491 HydrophobicContact CE3-CB 4.48Å; W422-A491 HydrophobicContact CH2-CB 3.43Å; W422-A491 VanDerWaalsContact CH2-CB 3.43Å; W422-A491 HydrophobicContact CZ2-CB 4.11Å; W422-A491 HydrophobicContact CZ3-CB 3.65Å |
| 423 | Y | 88 | Confident | 85 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.9 | -44.6 | 170.4 | -174.9 | -101.9 | 0 | 0 | 0 | 112.8 | A289 F290 A419 I421 V425 G426 Q427 W438 I439 T469 | A289-Y423 HydrophobicContact CB-CD1 4.31Å; A289-Y423 WeakPolarHBondContact O-CD1 3.37Å; A289-Y423 VanDerWaalsContact O-CE1 3.26Å; A289-Y423 WeakPolarHBondContact O-CE1 3.28Å; F290-Y423 AromaticContact CD1-CD1 3.68Å; F290-Y423 HydrophobicContact CD1-CD1 3.68Å; F290-Y423 HydrophobicContact CD1-CD2 4.28Å; F290-Y423 AromaticContact CD1-CE1 3.76Å; F290-Y423 HydrophobicContact CD1-CE1 3.76Å; F290-Y423 HydrophobicContact CD1-CE2 4.36Å; F290-Y423 AromaticContact CD1-CG 3.95Å; F290-Y423 HydrophobicContact CD1-CG 3.95Å; F290-Y423 AromaticContact CE1-CD1 3.53Å; F290-Y423 HydrophobicContact CE1-CD1 3.53Å; F290-Y423 AromaticContact CE1-CD2 3.57Å; F290-Y423 HydrophobicContact CE1-CD2 3.57Å; F290-Y423 AromaticContact CE1-CE1 3.99Å; F290-Y423 HydrophobicContact CE1-CE1 3.99Å; F290-Y423 HydrophobicContact CE1-CE2 4.03Å; F290-Y423 AromaticContact CE1-CG 3.3Å; F290-Y423 HydrophobicContact CE1-CG 3.3Å; F290-Y423 HydrophobicContact CE2-CD1 4.44Å; F290-Y423 HydrophobicContact CE2-CG 4.44Å; F290-Y423 HydrophobicContact CG-CD1 4.2Å; F290-Y423 HydrophobicContact CG-CE1 4.39Å; F290-Y423 AromaticContact CZ-CD1 3.94Å; F290-Y423 HydrophobicContact CZ-CD1 3.94Å; F290-Y423 HydrophobicContact CZ-CD2 4.19Å; F290-Y423 AromaticContact CZ-CG 3.59Å; F290-Y423 HydrophobicContact CZ-CG 3.59Å; A419-Y423 PolarHBondContact O-N 3.46Å; I421-Y423 VanDerWaalsContact C-N 3.3Å; I421-Y423 PolarHBondContact O-N 3.2Å; Y423-V425 VanDerWaalsContact C-N 3.3Å; Y423-V425 PolarHBondContact O-N 2.94Å; Y423-G426 PolarHBondContact O-N 3.38Å; Y423-Q427 HydrophobicContact CE1-CB 4.49Å; Y423-Q427 VanDerWaalsContact O-CB 3.32Å; Y423-Q427 WeakPolarHBondContact O-CB 3.49Å; Y423-Q427 PolarHBondContact O-N 2.83Å; Y423-W438 HydrophobicContact CD2-CH2 4.24Å; Y423-W438 HydrophobicContact CD2-CZ2 4.05Å; Y423-I439 HydrophobicContact CD2-CD1 4.22Å; Y423-I439 HydrophobicContact CE2-CD1 3.98Å; Y423-T469 VanDerWaalsContact CE2-CB 3.5Å; Y423-T469 HydrophobicContact CE2-CG2 3.87Å |
| 424 | S | 84.4 | Confident | 84.4 | Confident | 62 Ų | 62 | 46.1 Ų | 46.1 | 43% | 0.434 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.7 | -39.8 | 176.7 | -168.4 | 0 | 0 | 0 | 0 | 112.4 | C420 I421 T428 | C420-S424 WeakPolarHBondContact O-CB 3.42Å; C420-S424 PolarHBondContact O-N 3.04Å; I421-S424 WeakPolarHBondContact O-CB 3.29Å; I421-S424 PolarHBondContact O-N 3.22Å; I421-S424 VanDerWaalsContact O-N 3.1Å; S424-T428 WeakPolarHBondContact O-CB 3.36Å; S424-T428 PolarHBondContact O-N 2.93Å; S424-T428 PolarHBondContact O-OG1 3.46Å |
| 425 | V | 85.5 | Confident | 83.6 | Confident | 61 Ų | 61 | 49.2 Ų | 49.2 | 37% | 0.37 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.3 | -57.1 | 173.2 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | I421 Y423 Q427 T428 D429 | I421-V425 HydrophobicContact CG2-CG2 4.46Å; I421-V425 WeakPolarHBondContact O-CG2 3.32Å; I421-V425 PolarHBondContact O-N 2.75Å; Y423-V425 VanDerWaalsContact C-N 3.3Å; Y423-V425 PolarHBondContact O-N 2.94Å; V425-Q427 VanDerWaalsContact C-N 3.25Å; V425-Q427 PolarHBondContact O-N 3.28Å; V425-T428 CarbonylContact O-C 3.58Å; V425-T428 WeakPolarHBondContact O-CA 3.46Å; V425-T428 WeakPolarHBondContact O-CB 3.43Å; V425-T428 PolarHBondContact O-N 2.84Å; V425-D429 PolarHBondContact O-N 3.23Å |
| 426 | G | 83.9 | Confident | 82.8 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.3 | -32.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | W422 Y423 L430 | W422-G426 PolarHBondContact O-N 3.44Å; W422-G426 VanDerWaalsContact O-N 3.13Å; Y423-G426 PolarHBondContact O-N 3.38Å; G426-L430 WeakPolarHBondContact O-CB 3.31Å; G426-L430 PolarHBondContact O-N 3.09Å; G426-L430 VanDerWaalsContact O-N 3.17Å |
| 427 | Q | 80.6 | Confident | 82 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 9% | 0.089 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.5 | -23.6 | 174.7 | -178.1 | 59.2 | 93.7 | 0 | 0 | 112.9 | Y423 V425 K431 P462 | Y423-Q427 HydrophobicContact CE1-CB 4.49Å; Y423-Q427 VanDerWaalsContact O-CB 3.32Å; Y423-Q427 WeakPolarHBondContact O-CB 3.49Å; Y423-Q427 PolarHBondContact O-N 2.83Å; V425-Q427 VanDerWaalsContact C-N 3.25Å; V425-Q427 PolarHBondContact O-N 3.28Å; Q427-K431 WeakPolarHBondContact O-CD 3.45Å; Q427-K431 VanDerWaalsContact O-CG 3.31Å; Q427-K431 WeakPolarHBondContact O-CG 3.42Å; Q427-K431 PolarHBondContact O-N 3.48Å; Q427-P462 VanDerWaalsContact OE1-CD 3.3Å |
| 428 | T | 81.7 | Confident | 81.6 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -80.5 | -43.1 | 173.6 | -59.8 | 0 | 0 | 0 | 0 | 111 | S424 V425 L430 K431 N432 | S424-T428 WeakPolarHBondContact O-CB 3.36Å; S424-T428 PolarHBondContact O-N 2.93Å; S424-T428 PolarHBondContact O-OG1 3.46Å; V425-T428 CarbonylContact O-C 3.58Å; V425-T428 WeakPolarHBondContact O-CA 3.46Å; V425-T428 WeakPolarHBondContact O-CB 3.43Å; V425-T428 PolarHBondContact O-N 2.84Å; T428-L430 VanDerWaalsContact C-N 3.27Å; T428-L430 PolarHBondContact O-N 2.96Å; T428-K431 PolarHBondContact O-N 3.44Å; T428-K431 VanDerWaalsContact O-N 3.1Å; T428-N432 VanDerWaalsContact O-CG 3.3Å; T428-N432 PolarHBondContact O-N 3.01Å; T428-N432 PolarHBondContact O-ND2 2.86Å |
| 429 | D | 83 | Confident | 81.2 | Confident | 44 Ų | 44 | 53.9 Ų | 53.9 | 24% | 0.235 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -52.8 | -47.6 | 171.5 | -68.1 | -22.5 | 0 | 0 | 0 | 110.7 | V425 K431 N432 G433 I434 | V425-D429 PolarHBondContact O-N 3.23Å; D429-K431 PolarHBondContact O-N 3.16Å; D429-N432 CarbonylContact O-C 3.54Å; D429-N432 PolarHBondContact O-N 2.95Å; D429-N432 VanDerWaalsContact O-N 3.09Å; D429-G433 PolarHBondContact O-N 3.3Å; D429-I434 HydrophobicContact CB-CB 4.04Å; D429-I434 HydrophobicContact CB-CD1 4.47Å; D429-I434 HydrophobicContact CB-CG2 4.37Å; D429-I434 VanDerWaalsContact O-CB 3.28Å; D429-I434 WeakPolarHBondContact O-CB 3.39Å; D429-I434 PolarHBondContact O-N 2.86Å |
| 430 | L | 76.3 | Confident | 80.6 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 177.2 | -162.3 | 66 | 0 | 0 | 0 | 112.7 | G426 T428 N432 G433 P440 F452 P462 | G426-L430 WeakPolarHBondContact O-CB 3.31Å; G426-L430 PolarHBondContact O-N 3.09Å; G426-L430 VanDerWaalsContact O-N 3.17Å; T428-L430 VanDerWaalsContact C-N 3.27Å; T428-L430 PolarHBondContact O-N 2.96Å; L430-N432 VanDerWaalsContact C-N 3.26Å; L430-N432 PolarHBondContact O-N 3.35Å; L430-G433 PolarHBondContact O-N 3.49Å; L430-G433 VanDerWaalsContact O-N 3.14Å; L430-P440 HydrophobicContact CD1-CG 3.79Å; L430-F452 HydrophobicContact CD1-CE2 4Å; L430-F452 HydrophobicContact CD1-CZ 3.7Å; L430-F452 HydrophobicContact CD2-CE2 4.21Å; L430-P462 HydrophobicContact CD2-CB 4.12Å; L430-P462 HydrophobicContact CD2-CG 4.1Å |
| 431 | K | 76.5 | Confident | 80 | Confident | 143 Ų | 143 | 59.5 Ų | 59.5 | 62% | 0.622 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -68.4 | -24.8 | 176.7 | -73.4 | 168.5 | -177.4 | 172.8 | 0 | 113.2 | Q427 T428 D429 G433 | Q427-K431 WeakPolarHBondContact O-CD 3.45Å; Q427-K431 VanDerWaalsContact O-CG 3.31Å; Q427-K431 WeakPolarHBondContact O-CG 3.42Å; Q427-K431 PolarHBondContact O-N 3.48Å; T428-K431 PolarHBondContact O-N 3.44Å; T428-K431 VanDerWaalsContact O-N 3.1Å; D429-K431 PolarHBondContact O-N 3.16Å; K431-G433 VanDerWaalsContact C-N 3.27Å |
| 432 | N | 78.9 | Confident | 79.6 | Confident | 111 Ų | 111 | 55.5 Ų | 55.5 | 59% | 0.594 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 4.5 | 175 | -65.7 | -20.1 | 0 | 0 | 0 | 112.7 | T428 D429 L430 I434 | T428-N432 VanDerWaalsContact O-CG 3.3Å; T428-N432 PolarHBondContact O-N 3.01Å; T428-N432 PolarHBondContact O-ND2 2.86Å; D429-N432 CarbonylContact O-C 3.54Å; D429-N432 PolarHBondContact O-N 2.95Å; D429-N432 VanDerWaalsContact O-N 3.09Å; L430-N432 VanDerWaalsContact C-N 3.26Å; L430-N432 PolarHBondContact O-N 3.35Å; N432-I434 HydrophobicContact CB-CD1 4.23Å; N432-I434 HydrophobicContact CB-CG1 4.18Å |
| 433 | G | 74.2 | Confident | 79.1 | Confident | 38 Ų | 38 | 53.6 Ų | 53.6 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 20.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D429 L430 K431 Y435 | D429-G433 PolarHBondContact O-N 3.3Å; L430-G433 PolarHBondContact O-N 3.49Å; L430-G433 VanDerWaalsContact O-N 3.14Å; K431-G433 VanDerWaalsContact C-N 3.27Å; G433-Y435 WeakPolarHBondContact O-CD2 3.33Å; G433-Y435 WeakPolarHBondContact O-CE2 3.32Å; G433-Y435 PolarHBondContact O-N 3.06Å; G433-Y435 VanDerWaalsContact O-N 3.16Å |
| 434 | I | 75 | Confident | 78.5 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 23% | 0.226 | 29% | 0.289 | C | S | . | . | trans | -87.8 | 81.1 | -178.7 | -56.7 | 178.9 | 0 | 0 | 0 | 109.6 | D429 N432 Y436 G437 | D429-I434 HydrophobicContact CB-CB 4.04Å; D429-I434 HydrophobicContact CB-CD1 4.47Å; D429-I434 HydrophobicContact CB-CG2 4.37Å; D429-I434 VanDerWaalsContact O-CB 3.28Å; D429-I434 WeakPolarHBondContact O-CB 3.39Å; D429-I434 PolarHBondContact O-N 2.86Å; N432-I434 HydrophobicContact CB-CD1 4.23Å; N432-I434 HydrophobicContact CB-CG1 4.18Å; I434-Y436 HydrophobicContact CG2-CD1 3.96Å; I434-Y436 HydrophobicContact CG2-CD2 3.82Å; I434-Y436 HydrophobicContact CG2-CE1 3.69Å; I434-Y436 HydrophobicContact CG2-CE2 3.52Å; I434-Y436 HydrophobicContact CG2-CG 4.02Å; I434-Y436 VanDerWaalsContact CG2-CZ 3.46Å; I434-Y436 PolarHBondContact O-N 3.43Å; I434-Y436 VanDerWaalsContact O-N 3.16Å; I434-G437 PolarHBondContact O-N 3.37Å | ||
| 435 | Y | 70.3 | Confident | 78.1 | Confident | 125 Ų | 125 | 58.9 Ų | 58.9 | 49% | 0.49 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 0.7 | -178.4 | -58.6 | -79 | 0 | 0 | 0 | 115 | G433 P440 F452 D456 | G433-Y435 WeakPolarHBondContact O-CD2 3.33Å; G433-Y435 WeakPolarHBondContact O-CE2 3.32Å; G433-Y435 PolarHBondContact O-N 3.06Å; G433-Y435 VanDerWaalsContact O-N 3.16Å; Y435-P440 WeakPolarHBondContact O-CB 3.46Å; Y435-F452 AromaticContact CD1-CE1 3.77Å; Y435-F452 HydrophobicContact CD1-CE1 3.77Å; Y435-F452 HydrophobicContact CD1-CZ 4.06Å; Y435-F452 AromaticContact CE1-CE1 3.81Å; Y435-F452 HydrophobicContact CE1-CE1 3.81Å; Y435-F452 AromaticContact CE1-CZ 3.9Å; Y435-F452 HydrophobicContact CE1-CZ 3.9Å; Y435-D456 WeakPolarHBondContact CE1-OD2 3.33Å; Y435-D456 PolarHBondContact OH-OD2 3.44Å |
| 436 | Y | 71.4 | Confident | 77.8 | Confident | 203 Ų | 203 | 58.7 Ų | 58.7 | 80% | 0.796 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 7.5 | 171.5 | 60.8 | -102.5 | 0 | 0 | 0 | 113.7 | I434 | I434-Y436 HydrophobicContact CG2-CD1 3.96Å; I434-Y436 HydrophobicContact CG2-CD2 3.82Å; I434-Y436 HydrophobicContact CG2-CE1 3.69Å; I434-Y436 HydrophobicContact CG2-CE2 3.52Å; I434-Y436 HydrophobicContact CG2-CG 4.02Å; I434-Y436 VanDerWaalsContact CG2-CZ 3.46Å; I434-Y436 PolarHBondContact O-N 3.43Å; I434-Y436 VanDerWaalsContact O-N 3.16Å |
| 437 | G | 75 | Confident | 77 | Confident | 8 Ų | 8 | 65.1 Ų | 65.1 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -66.1 | 169 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | I434 I439 P440 R441 | I434-G437 PolarHBondContact O-N 3.37Å; G437-I439 VanDerWaalsContact C-N 3.26Å; G437-I439 PolarHBondContact O-N 3.49Å; G437-P440 VanDerWaalsContact O-CD 3.32Å; G437-P440 WeakPolarHBondContact O-CD 3.47Å; G437-R441 PolarHBondContact O-N 2.9Å |
| 438 | W | 83.1 | Confident | 76.3 | Confident | 20 Ų | 20 | 67.3 Ų | 67.3 | 8% | 0.076 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.8 | -28.8 | -176.9 | 78.5 | -99.3 | 0 | 0 | 0 | 113.6 | W422 Y423 L442 T472 V489 | W422-W438 AromaticContact CD1-CE2 3.74Å; W422-W438 AromaticContact CD1-CZ2 3.86Å; W422-W438 AromaticContact CD1-NE1 3.76Å; W422-W438 AromaticContact CD2-NE1 3.82Å; W422-W438 AromaticContact CE2-CD1 3.33Å; W422-W438 AromaticContact CE2-CE2 3.96Å; W422-W438 AromaticContact CE2-CG 3.75Å; W422-W438 AromaticContact CE2-NE1 3.44Å; W422-W438 AromaticContact CH2-CD1 3.8Å; W422-W438 HydrophobicContact CH2-CG 4.4Å; W422-W438 HydrophobicContact CZ2-CB 3.76Å; W422-W438 AromaticContact CZ2-CD1 3.23Å; W422-W438 HydrophobicContact CZ2-CD2 4.36Å; W422-W438 AromaticContact CZ2-CG 3.54Å; W422-W438 HydrophobicContact CZ2-CG 3.54Å; W422-W438 AromaticContact CZ2-NE1 3.87Å; W422-W438 AromaticContact NE1-CD1 3.62Å; W422-W438 AromaticContact NE1-CD2 3.63Å; W422-W438 AromaticContact NE1-CE2 3.43Å; W422-W438 AromaticContact NE1-CG 3.75Å; W422-W438 AromaticContact NE1-CZ2 3.96Å; W422-W438 AromaticContact NE1-NE1 3.4Å; W422-W438 PolarHBondContact O-NE1 3.07Å; Y423-W438 HydrophobicContact CD2-CH2 4.24Å; Y423-W438 HydrophobicContact CD2-CZ2 4.05Å; W438-L442 HydrophobicContact CE3-CD2 4.49Å; W438-L442 HydrophobicContact CZ3-CD2 3.88Å; W438-L442 WeakPolarHBondContact O-CB 3.45Å; W438-L442 PolarHBondContact O-N 2.92Å; W438-T472 HydrophobicContact CZ3-CG2 4.06Å; W438-V489 HydrophobicContact CB-CG1 4.27Å; W438-V489 HydrophobicContact CE3-CG1 4.4Å |
| 439 | I | 80.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.4 | -56.7 | 176.4 | -63.9 | -179.1 | 0 | 0 | 0 | 110.3 | Y423 G437 R441 L442 L443 P462 | Y423-I439 HydrophobicContact CD2-CD1 4.22Å; Y423-I439 HydrophobicContact CE2-CD1 3.98Å; G437-I439 VanDerWaalsContact C-N 3.26Å; G437-I439 PolarHBondContact O-N 3.49Å; I439-R441 VanDerWaalsContact C-N 3.29Å; I439-R441 PolarHBondContact O-N 2.75Å; I439-L442 WeakPolarHBondContact O-CA 3.42Å; I439-L442 WeakPolarHBondContact O-CB 3.25Å; I439-L442 PolarHBondContact O-N 3.11Å; I439-L443 HydrophobicContact CG2-CD1 3.63Å; I439-L443 WeakPolarHBondContact O-CD1 3.21Å; I439-L443 PolarHBondContact O-N 2.92Å; I439-P462 HydrophobicContact CG2-CB 4.33Å; I439-P462 HydrophobicContact CG2-CG 4.38Å |
| 440 | P | 77 | Confident | 73.8 | Confident | 19 Ų | 19 | 72.8 Ų | 72.8 | 12% | 0.123 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -48.9 | -43.7 | 170.9 | -31.9 | 34.5 | 0 | 0 | 0 | 114.8 | L430 Y435 G437 L442 L443 N444 | L430-P440 HydrophobicContact CD1-CG 3.79Å; Y435-P440 WeakPolarHBondContact O-CB 3.46Å; G437-P440 VanDerWaalsContact O-CD 3.32Å; G437-P440 WeakPolarHBondContact O-CD 3.47Å; P440-L442 PolarHBondContact O-N 2.97Å; P440-L443 PolarHBondContact O-N 3.39Å; P440-N444 PolarHBondContact O-N 3.15Å |
| 441 | R | 78 | Confident | 72.9 | Confident | 104 Ų | 104 | 78.7 Ų | 78.7 | 39% | 0.392 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 174.8 | 179.9 | 177.4 | 166.3 | -163.6 | -5.9 | 111.7 | G437 I439 L443 N444 D445 G487 N488 S490 | G437-R441 PolarHBondContact O-N 2.9Å; I439-R441 VanDerWaalsContact C-N 3.29Å; I439-R441 PolarHBondContact O-N 2.75Å; R441-L443 VanDerWaalsContact C-N 3.33Å; R441-L443 PolarHBondContact O-N 2.81Å; R441-N444 WeakPolarHBondContact O-CA 3.28Å; R441-N444 WeakPolarHBondContact O-CB 3.47Å; R441-N444 PolarHBondContact O-N 2.97Å; R441-N444 VanDerWaalsContact O-N 3.08Å; R441-D445 IonicContact NE-OD2 3.94Å; R441-D445 VanDerWaalsContact O-CG 3.28Å; R441-D445 PolarHBondContact O-N 3.33Å; R441-G487 PolarHBondContact NH2-O 2.84Å; R441-N488 VanDerWaalsContact CZ-O 3.24Å; R441-N488 PolarHBondContact NH2-O 3.47Å; R441-S490 PolarHBondContact NH1-OG 2.93Å |
| 442 | L | 80.9 | Confident | 72 | Confident | 16 Ų | 16 | 72.8 Ų | 72.8 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 176 | -179.8 | 63.5 | 0 | 0 | 0 | 112.2 | W438 I439 P440 N444 D445 I446 L464 T472 | W438-L442 HydrophobicContact CE3-CD2 4.49Å; W438-L442 HydrophobicContact CZ3-CD2 3.88Å; W438-L442 WeakPolarHBondContact O-CB 3.45Å; W438-L442 PolarHBondContact O-N 2.92Å; I439-L442 WeakPolarHBondContact O-CA 3.42Å; I439-L442 WeakPolarHBondContact O-CB 3.25Å; I439-L442 PolarHBondContact O-N 3.11Å; P440-L442 PolarHBondContact O-N 2.97Å; L442-N444 VanDerWaalsContact C-N 3.26Å; L442-N444 PolarHBondContact O-N 3.24Å; L442-D445 PolarHBondContact O-N 3.35Å; L442-I446 HydrophobicContact CD1-CD1 3.76Å; L442-I446 HydrophobicContact CD1-CG1 4.23Å; L442-I446 HydrophobicContact CG-CD1 3.71Å; L442-I446 WeakPolarHBondContact O-CD1 3.5Å; L442-I446 WeakPolarHBondContact O-CG1 3.43Å; L442-I446 PolarHBondContact O-N 3.04Å; L442-L464 HydrophobicContact CD2-CD1 3.87Å; L442-L464 HydrophobicContact CG-CD1 4.31Å; L442-T472 HydrophobicContact CD1-CG2 4.21Å; L442-T472 HydrophobicContact CD2-CG2 3.94Å |
| 443 | L | 76.1 | Confident | 71 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.1 | -30.5 | 175.3 | -80.2 | 88.8 | 0 | 0 | 0 | 112.8 | I439 P440 R441 D447 Q448 F452 P463 L464 | I439-L443 HydrophobicContact CG2-CD1 3.63Å; I439-L443 WeakPolarHBondContact O-CD1 3.21Å; I439-L443 PolarHBondContact O-N 2.92Å; P440-L443 PolarHBondContact O-N 3.39Å; R441-L443 VanDerWaalsContact C-N 3.33Å; R441-L443 PolarHBondContact O-N 2.81Å; L443-D447 PolarHBondContact O-N 2.64Å; L443-Q448 PolarHBondContact O-N 3.12Å; L443-F452 HydrophobicContact CD2-CB 3.7Å; L443-F452 HydrophobicContact CD2-CD2 3.89Å; L443-F452 HydrophobicContact CD2-CG 4.04Å; L443-P463 HydrophobicContact CD2-CG 4.13Å; L443-L464 HydrophobicContact CD1-CD1 3.46Å; L443-L464 VanDerWaalsContact CD1-CD1 3.46Å; L443-L464 HydrophobicContact CD1-CD2 4.39Å; L443-L464 HydrophobicContact CD1-CG 3.75Å; L443-L464 HydrophobicContact CD2-CG 4.48Å; L443-L464 HydrophobicContact CG-CD1 4.09Å; L443-L464 HydrophobicContact CG-CD2 4.11Å; L443-L464 HydrophobicContact CG-CG 3.94Å |
| 444 | N | 75.8 | Confident | 69.9 | Low | 103 Ų | 103 | 80.3 Ų | 80.3 | 55% | 0.551 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -68.3 | -45.3 | 172.5 | -176.7 | 87.4 | 0 | 0 | 0 | 111.9 | P440 R441 L442 I446 D447 V449 | P440-N444 PolarHBondContact O-N 3.15Å; R441-N444 WeakPolarHBondContact O-CA 3.28Å; R441-N444 WeakPolarHBondContact O-CB 3.47Å; R441-N444 PolarHBondContact O-N 2.97Å; R441-N444 VanDerWaalsContact O-N 3.08Å; L442-N444 VanDerWaalsContact C-N 3.26Å; L442-N444 PolarHBondContact O-N 3.24Å; N444-I446 PolarHBondContact O-N 2.93Å; N444-I446 VanDerWaalsContact O-N 3.14Å; N444-D447 PolarHBondContact O-N 2.98Å; N444-D447 VanDerWaalsContact O-N 3.08Å; N444-V449 VanDerWaalsContact CA-CG2 3.4Å; N444-V449 HydrophobicContact CB-CG2 3.93Å |
| 445 | D | 77 | Confident | 68.8 | Low | 93 Ų | 93 | 82.1 Ų | 82.1 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.6 | -9.8 | -178.5 | -60.1 | -13.4 | 0 | 0 | 0 | 113 | R441 L442 | R441-D445 IonicContact NE-OD2 3.94Å; R441-D445 VanDerWaalsContact O-CG 3.28Å; R441-D445 PolarHBondContact O-N 3.33Å; L442-D445 PolarHBondContact O-N 3.35Å |
| 446 | I | 77.8 | Confident | 67.9 | Low | 57 Ų | 57 | 79.8 Ų | 79.8 | 29% | 0.292 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 4.1 | 174.9 | -46.4 | 154 | 0 | 0 | 0 | 112.4 | L442 N444 Q448 L464 M468 | L442-I446 HydrophobicContact CD1-CD1 3.76Å; L442-I446 HydrophobicContact CD1-CG1 4.23Å; L442-I446 HydrophobicContact CG-CD1 3.71Å; L442-I446 WeakPolarHBondContact O-CD1 3.5Å; L442-I446 WeakPolarHBondContact O-CG1 3.43Å; L442-I446 PolarHBondContact O-N 3.04Å; N444-I446 PolarHBondContact O-N 2.93Å; N444-I446 VanDerWaalsContact O-N 3.14Å; I446-Q448 HydrophobicContact CB-CG 4.12Å; I446-Q448 HydrophobicContact CG2-CG 3.88Å; I446-Q448 PolarHBondContact O-N 3.2Å; I446-L464 HydrophobicContact CD1-CD2 3.9Å; I446-M468 HydrophobicContact CD1-CE 3.35Å; I446-M468 HydrophobicContact CD1-SD 3.67Å; I446-M468 HydrophobicContact CG1-CE 3.8Å; I446-M468 HydrophobicContact CG2-CE 4.5Å |
| 447 | D | 67 | Low | 66.7 | Low | 137 Ų | 137 | 77.2 Ų | 77.2 | 73% | 0.733 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 29 | -174 | -162.9 | 25.2 | 0 | 0 | 0 | 114.3 | L443 N444 | L443-D447 PolarHBondContact O-N 2.64Å; N444-D447 PolarHBondContact O-N 2.98Å; N444-D447 VanDerWaalsContact O-N 3.08Å |
| 448 | Q | 65.9 | Low | 65.2 | Low | 66 Ų | 66 | 83.9 Ų | 83.9 | 31% | 0.308 | 40% | 0.403 | S | S | . | . | trans | -92.5 | -2.4 | -179.8 | -73.9 | -73.9 | -40.1 | 0 | 0 | 113.4 | L443 I446 K450 Y451 | L443-Q448 PolarHBondContact O-N 3.12Å; I446-Q448 HydrophobicContact CB-CG 4.12Å; I446-Q448 HydrophobicContact CG2-CG 3.88Å; I446-Q448 PolarHBondContact O-N 3.2Å; Q448-K450 PolarHBondContact O-N 2.94Å; Q448-K450 VanDerWaalsContact O-N 3.1Å; Q448-Y451 PolarHBondContact O-N 3Å | ||
| 449 | V | 59.3 | Low | 63.7 | Low | 43 Ų | 43 | 86.2 Ų | 86.2 | 26% | 0.261 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -55.1 | -32.9 | -174.2 | -168 | 0 | 0 | 0 | 0 | 113.2 | N444 Y451 F452 L453 | N444-V449 VanDerWaalsContact CA-CG2 3.4Å; N444-V449 HydrophobicContact CB-CG2 3.93Å; V449-Y451 VanDerWaalsContact C-N 3.25Å; V449-Y451 PolarHBondContact O-N 3.4Å; V449-F452 WeakPolarHBondContact O-CB 3.42Å; V449-F452 PolarHBondContact O-N 2.91Å; V449-F452 VanDerWaalsContact O-N 3.1Å; V449-L453 HydrophobicContact CG1-CD1 4.1Å; V449-L453 HydrophobicContact CG1-CG 4.32Å; V449-L453 PolarHBondContact O-N 3.16Å; V449-L453 VanDerWaalsContact O-N 3.1Å |
| 450 | K | 53.5 | Low | 62.4 | Low | 178 Ų | 178 | 90.9 Ų | 90.9 | 77% | 0.774 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -57.3 | -35.5 | 176.4 | -91.9 | 177.1 | 176.6 | 165.3 | 0 | 113.5 | Q448 | Q448-K450 PolarHBondContact O-N 2.94Å; Q448-K450 VanDerWaalsContact O-N 3.1Å |
| 451 | Y | 57.4 | Low | 61.4 | Low | 143 Ų | 143 | 95 Ų | 95 | 56% | 0.561 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -79.4 | -31.1 | 177.1 | -64.4 | -73.1 | 0 | 0 | 0 | 112.1 | Q448 V449 Y454 M455 | Q448-Y451 PolarHBondContact O-N 3Å; V449-Y451 VanDerWaalsContact C-N 3.25Å; V449-Y451 PolarHBondContact O-N 3.4Å; Y451-Y454 PolarHBondContact O-N 3.32Å; Y451-M455 WeakPolarHBondContact O-CG 3.36Å; Y451-M455 PolarHBondContact O-N 3.42Å |
| 452 | F | 58 | Low | 60.4 | Low | 18 Ų | 18 | 90.8 Ų | 90.8 | 8% | 0.079 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63.7 | -56.1 | 177.4 | -176.5 | -100.5 | 0 | 0 | 0 | 111.8 | L430 Y435 L443 V449 Y454 M455 D456 | L430-F452 HydrophobicContact CD1-CE2 4Å; L430-F452 HydrophobicContact CD1-CZ 3.7Å; L430-F452 HydrophobicContact CD2-CE2 4.21Å; Y435-F452 AromaticContact CD1-CE1 3.77Å; Y435-F452 HydrophobicContact CD1-CE1 3.77Å; Y435-F452 HydrophobicContact CD1-CZ 4.06Å; Y435-F452 AromaticContact CE1-CE1 3.81Å; Y435-F452 HydrophobicContact CE1-CE1 3.81Å; Y435-F452 AromaticContact CE1-CZ 3.9Å; Y435-F452 HydrophobicContact CE1-CZ 3.9Å; L443-F452 HydrophobicContact CD2-CB 3.7Å; L443-F452 HydrophobicContact CD2-CD2 3.89Å; L443-F452 HydrophobicContact CD2-CG 4.04Å; V449-F452 WeakPolarHBondContact O-CB 3.42Å; V449-F452 PolarHBondContact O-N 2.91Å; V449-F452 VanDerWaalsContact O-N 3.1Å; F452-Y454 PolarHBondContact O-N 3.08Å; F452-M455 PolarHBondContact O-N 3.39Å; F452-D456 PolarHBondContact O-N 3.44Å |
| 453 | L | 56.5 | Low | 59.4 | Low | 123 Ų | 123 | 92.5 Ų | 92.5 | 64% | 0.644 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.3 | -17.6 | -179.6 | -70.4 | 171.5 | 0 | 0 | 0 | 114 | V449 | V449-L453 HydrophobicContact CG1-CD1 4.1Å; V449-L453 HydrophobicContact CG1-CG 4.32Å; V449-L453 PolarHBondContact O-N 3.16Å; V449-L453 VanDerWaalsContact O-N 3.1Å |
| 454 | Y | 51.7 | Low | 59.1 | Low | 185 Ų | 185 | 93.4 Ų | 93.4 | 73% | 0.725 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -90.9 | -21.5 | 177.8 | -162.5 | -91.5 | 0 | 0 | 0 | 113.4 | Y451 F452 | Y451-Y454 PolarHBondContact O-N 3.32Å; F452-Y454 PolarHBondContact O-N 3.08Å |
| 455 | M | 52.2 | Low | 59.2 | Low | 82 Ų | 82 | 91.9 Ų | 91.9 | 40% | 0.404 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -101.9 | -17.5 | -175.2 | -73 | -67.5 | 172.1 | 0 | 0 | 114.5 | Y451 F452 I457 L458 T459 | Y451-M455 WeakPolarHBondContact O-CG 3.36Å; Y451-M455 PolarHBondContact O-N 3.42Å; F452-M455 PolarHBondContact O-N 3.39Å; M455-I457 PolarHBondContact O-N 3.07Å; M455-L458 PolarHBondContact O-N 3.39Å; M455-T459 PolarHBondContact O-N 3.18Å |
| 456 | D | 52 | Low | 59.2 | Low | 75 Ų | 75 | 92.5 Ų | 92.5 | 40% | 0.401 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -14 | -176.4 | -150.4 | 34 | 0 | 0 | 0 | 114.6 | Y435 F452 | Y435-D456 WeakPolarHBondContact CE1-OD2 3.33Å; Y435-D456 PolarHBondContact OH-OD2 3.44Å; F452-D456 PolarHBondContact O-N 3.44Å |
| 457 | I | 45.7 | Very low | 59.5 | Low | 149 Ų | 149 | 94.8 Ų | 94.8 | 76% | 0.764 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -19.5 | 178.8 | -62.5 | 176.2 | 0 | 0 | 0 | 112.8 | M455 | M455-I457 PolarHBondContact O-N 3.07Š|
| 458 | L | 42.6 | Very low | 60.4 | Low | 148 Ų | 148 | 91.5 Ų | 91.5 | 78% | 0.775 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.3 | -24.7 | -173.1 | -76.8 | 109.8 | 0 | 0 | 0 | 116.2 | M455 | M455-L458 PolarHBondContact O-N 3.39Š|
| 459 | T | 51.8 | Low | 61.3 | Low | 70 Ų | 70 | 88.4 Ų | 88.4 | 43% | 0.429 | 45% | 0.451 | S | S | . | . | trans | -138.6 | 113.5 | -178 | 48.2 | 0 | 0 | 0 | 0 | 112.5 | M455 N461 | M455-T459 PolarHBondContact O-N 3.18Å; T459-N461 PolarHBondContact O-N 3Å | ||
| 460 | S | 53.5 | Low | 62.8 | Low | 97 Ų | 97 | 89 Ų | 89 | 68% | 0.678 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -74.6 | 27.3 | -177.8 | 52.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 461 | N | 55.8 | Low | 64.6 | Low | 105 Ų | 105 | 84.7 Ų | 84.7 | 56% | 0.561 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -121.7 | 123.9 | 176.8 | -60.4 | -51.2 | 0 | 0 | 0 | 108.7 | T459 | T459-N461 PolarHBondContact O-N 3Š|
| 462 | P | 57 | Low | 66.2 | Low | 16 Ų | 16 | 78.9 Ų | 78.9 | 10% | 0.104 | 42% | 0.416 | C | S | . | . | trans | -64 | 143.5 | 177.6 | 26.8 | -33.6 | 0 | 0 | 0 | 110.8 | Q427 L430 I439 L464 | Q427-P462 VanDerWaalsContact OE1-CD 3.3Å; L430-P462 HydrophobicContact CD2-CB 4.12Å; L430-P462 HydrophobicContact CD2-CG 4.1Å; I439-P462 HydrophobicContact CG2-CB 4.33Å; I439-P462 HydrophobicContact CG2-CG 4.38Å; P462-L464 PolarHBondContact O-N 3.46Å | ||
| 463 | P | 61.2 | Low | 67.7 | Low | 52 Ų | 52 | 78 Ų | 78 | 34% | 0.338 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -73.6 | 21.9 | -174.2 | 30.7 | -37 | 0 | 0 | 0 | 115 | L443 | L443-P463 HydrophobicContact CD2-CG 4.13Š|
| 464 | L | 69.4 | Low | 69.4 | Low | 21 Ų | 21 | 73.9 Ų | 73.9 | 11% | 0.11 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -84.6 | 142 | 177.7 | -73.4 | -179.2 | 0 | 0 | 0 | 112 | L442 L443 I446 P462 T469 | L442-L464 HydrophobicContact CD2-CD1 3.87Å; L442-L464 HydrophobicContact CG-CD1 4.31Å; L443-L464 HydrophobicContact CD1-CD1 3.46Å; L443-L464 VanDerWaalsContact CD1-CD1 3.46Å; L443-L464 HydrophobicContact CD1-CD2 4.39Å; L443-L464 HydrophobicContact CD1-CG 3.75Å; L443-L464 HydrophobicContact CD2-CG 4.48Å; L443-L464 HydrophobicContact CG-CD1 4.09Å; L443-L464 HydrophobicContact CG-CD2 4.11Å; L443-L464 HydrophobicContact CG-CG 3.94Å; I446-L464 HydrophobicContact CD1-CD2 3.9Å; P462-L464 PolarHBondContact O-N 3.46Å; L464-T469 HydrophobicContact CB-CG2 3.69Å; L464-T469 HydrophobicContact CD1-CG2 3.65Å; L464-T469 HydrophobicContact CG-CG2 4.35Å |
| 465 | P | 77.6 | Confident | 71.3 | Confident | 71 Ų | 71 | 68.8 Ų | 68.8 | 46% | 0.461 | 37% | 0.371 | S | S | . | . | trans | -67.8 | 135.1 | 173.8 | 26.7 | -31.9 | 0 | 0 | 0 | 111.4 | T467 M468 T469 | P465-T467 PolarHBondContact O-N 2.95Å; P465-M468 HydrophobicContact CG-CB 3.89Å; P465-M468 WeakPolarHBondContact O-CB 3.49Å; P465-M468 PolarHBondContact O-N 3Å; P465-T469 PolarHBondContact O-N 2.96Å | ||
| 466 | R | 78.4 | Confident | 72.9 | Confident | 106 Ų | 106 | 65.5 Ų | 65.5 | 40% | 0.4 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -49.3 | -35.4 | -177.5 | -62.5 | -174.2 | -67.5 | -155.6 | 0.6 | 114.1 | S292 T294 D296 T469 Y470 | S292-R466 PolarHBondContact OG-NH1 3Å; T294-R466 PolarHBondContact OG1-NH1 2.79Å; D296-R466 IonicContact OD2-CZ 3.25Å; D296-R466 IonicContact OD2-NH1 2.77Å; D296-R466 IonicContact OD2-NH2 2.84Å; D296-R466 PolarHBondContact OD2-NH2 3.27Å; R466-T469 PolarHBondContact O-OG1 3.31Å; R466-Y470 WeakPolarHBondContact O-CB 3.48Å; R466-Y470 PolarHBondContact O-N 3.16Å; R466-Y470 VanDerWaalsContact O-N 3.15Å |
| 467 | T | 83.6 | Confident | 74.7 | Confident | 105 Ų | 105 | 62.1 Ų | 62.1 | 64% | 0.644 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.7 | -39 | 178.2 | 45.9 | 0 | 0 | 0 | 0 | 112.4 | P465 V471 | P465-T467 PolarHBondContact O-N 2.95Å; T467-V471 WeakPolarHBondContact O-CB 3.33Å; T467-V471 VanDerWaalsContact O-CG2 3.24Å; T467-V471 WeakPolarHBondContact O-CG2 3.4Å; T467-V471 PolarHBondContact O-N 3.23Å |
| 468 | M | 85 | Confident | 76.6 | Confident | 68 Ų | 68 | 57.9 Ų | 57.9 | 34% | 0.335 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -73.5 | -44.7 | -178.4 | -169.9 | 173 | -160.5 | 0 | 0 | 111.3 | I446 P465 Y470 V471 T472 | I446-M468 HydrophobicContact CD1-CE 3.35Å; I446-M468 HydrophobicContact CD1-SD 3.67Å; I446-M468 HydrophobicContact CG1-CE 3.8Å; I446-M468 HydrophobicContact CG2-CE 4.5Å; P465-M468 HydrophobicContact CG-CB 3.89Å; P465-M468 WeakPolarHBondContact O-CB 3.49Å; P465-M468 PolarHBondContact O-N 3Å; M468-Y470 VanDerWaalsContact C-N 3.33Å; M468-Y470 PolarHBondContact O-N 3.16Å; M468-V471 PolarHBondContact O-N 3.44Å; M468-T472 WeakPolarHBondContact O-CB 3.48Å; M468-T472 PolarHBondContact O-N 3.09Å; M468-T472 PolarHBondContact O-OG1 3.08Å |
| 469 | T | 85.8 | Confident | 78.7 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 176.7 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | Y423 L464 P465 R466 S473 | Y423-T469 VanDerWaalsContact CE2-CB 3.5Å; Y423-T469 HydrophobicContact CE2-CG2 3.87Å; L464-T469 HydrophobicContact CB-CG2 3.69Å; L464-T469 HydrophobicContact CD1-CG2 3.65Å; L464-T469 HydrophobicContact CG-CG2 4.35Å; P465-T469 PolarHBondContact O-N 2.96Å; R466-T469 PolarHBondContact O-OG1 3.31Å; T469-S473 VanDerWaalsContact O-CB 3.31Å; T469-S473 WeakPolarHBondContact O-CB 3.02Å; T469-S473 PolarHBondContact O-N 2.66Å; T469-S473 PolarHBondContact O-OG 2.63Å |
| 470 | Y | 91.2 | Very high | 80.1 | Confident | 55 Ų | 55 | 50.6 Ų | 50.6 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.4 | -56.8 | 172.8 | 174.8 | -108.6 | 0 | 0 | 0 | 112 | F286 F290 H416 R466 M468 T472 S473 L474 | F286-Y470 AromaticContact CD2-CD2 3.96Å; F286-Y470 HydrophobicContact CD2-CD2 3.96Å; F286-Y470 HydrophobicContact CD2-CE2 4.06Å; F286-Y470 AromaticContact CE2-CD2 3.89Å; F286-Y470 HydrophobicContact CE2-CD2 3.89Å; F286-Y470 HydrophobicContact CE2-CE2 4.32Å; F286-Y470 HydrophobicContact CE2-CG 4.04Å; F290-Y470 HydrophobicContact CD2-CD2 4.38Å; F290-Y470 AromaticContact CE2-CD2 3.73Å; F290-Y470 HydrophobicContact CE2-CD2 3.73Å; F290-Y470 AromaticContact CZ-CD2 3.81Å; F290-Y470 HydrophobicContact CZ-CD2 3.81Å; F290-Y470 HydrophobicContact CZ-CG 4.42Å; H416-Y470 AromaticContact CE1-CE2 3.26Å; H416-Y470 WeakPolarHBondContact CE1-CE2 3.48Å; H416-Y470 AromaticContact CE1-CZ 3.85Å; H416-Y470 AromaticContact ND1-CE2 3.5Å; H416-Y470 AromaticContact ND1-CZ 3.84Å; H416-Y470 PolarHBondContact ND1-OH 3.4Å; R466-Y470 WeakPolarHBondContact O-CB 3.48Å; R466-Y470 PolarHBondContact O-N 3.16Å; R466-Y470 VanDerWaalsContact O-N 3.15Å; M468-Y470 VanDerWaalsContact C-N 3.33Å; M468-Y470 PolarHBondContact O-N 3.16Å; Y470-T472 VanDerWaalsContact C-N 3.32Å; Y470-T472 PolarHBondContact O-N 3Å; Y470-S473 PolarHBondContact O-N 2.98Å; Y470-S473 VanDerWaalsContact O-N 3.12Å; Y470-S473 PolarHBondContact O-OG 3.25Å; Y470-L474 HydrophobicContact CE1-CD2 4.24Å; Y470-L474 WeakPolarHBondContact O-CB 3.26Å; Y470-L474 PolarHBondContact O-N 3.25Å |
| 471 | V | 91.4 | Very high | 81.4 | Confident | 88 Ų | 88 | 46.5 Ų | 46.5 | 53% | 0.533 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.4 | -40.3 | -177.9 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | T467 M468 L474 Y475 | T467-V471 WeakPolarHBondContact O-CB 3.33Å; T467-V471 VanDerWaalsContact O-CG2 3.24Å; T467-V471 WeakPolarHBondContact O-CG2 3.4Å; T467-V471 PolarHBondContact O-N 3.23Å; M468-V471 PolarHBondContact O-N 3.44Å; V471-L474 PolarHBondContact O-N 3.27Å; V471-Y475 VanDerWaalsContact O-CB 3.22Å; V471-Y475 WeakPolarHBondContact O-CB 3.22Å; V471-Y475 PolarHBondContact O-N 3.04Å |
| 472 | T | 89.3 | Confident | 82.7 | Confident | 21 Ų | 21 | 43.4 Ų | 43.4 | 13% | 0.129 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.8 | -39 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | W438 L442 M468 Y470 F476 V489 | W438-T472 HydrophobicContact CZ3-CG2 4.06Å; L442-T472 HydrophobicContact CD1-CG2 4.21Å; L442-T472 HydrophobicContact CD2-CG2 3.94Å; M468-T472 WeakPolarHBondContact O-CB 3.48Å; M468-T472 PolarHBondContact O-N 3.09Å; M468-T472 PolarHBondContact O-OG1 3.08Å; Y470-T472 VanDerWaalsContact C-N 3.32Å; Y470-T472 PolarHBondContact O-N 3Å; T472-F476 PolarHBondContact O-N 3.27Å; T472-V489 HydrophobicContact CG2-CG2 3.71Å |
| 473 | S | 90.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66 | -39.2 | 175.7 | 70 | 0 | 0 | 0 | 0 | 112.5 | T469 Y470 F476 T477 | T469-S473 VanDerWaalsContact O-CB 3.31Å; T469-S473 WeakPolarHBondContact O-CB 3.02Å; T469-S473 PolarHBondContact O-N 2.66Å; T469-S473 PolarHBondContact O-OG 2.63Å; Y470-S473 PolarHBondContact O-N 2.98Å; Y470-S473 VanDerWaalsContact O-N 3.12Å; Y470-S473 PolarHBondContact O-OG 3.25Å; S473-F476 PolarHBondContact O-N 2.9Å; S473-T477 PolarHBondContact O-N 3.28Å; S473-T477 VanDerWaalsContact O-N 3.1Å; S473-T477 PolarHBondContact O-OG1 2.92Å |
| 474 | L | 91.4 | Very high | 84.9 | Confident | 35 Ų | 35 | 49.6 Ų | 49.6 | 18% | 0.183 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.9 | -39.1 | 176.9 | -176.3 | 65.4 | 0 | 0 | 0 | 112.2 | A415 A419 Y470 V471 F476 T477 L478 | A415-L474 HydrophobicContact CB-CD1 4.29Å; A419-L474 HydrophobicContact CB-CB 4.06Å; A419-L474 HydrophobicContact CB-CD1 4.1Å; Y470-L474 HydrophobicContact CE1-CD2 4.24Å; Y470-L474 WeakPolarHBondContact O-CB 3.26Å; Y470-L474 PolarHBondContact O-N 3.25Å; V471-L474 PolarHBondContact O-N 3.27Å; L474-F476 VanDerWaalsContact C-N 3.31Å; L474-F476 PolarHBondContact O-N 3.39Å; L474-T477 PolarHBondContact O-N 2.93Å; L474-T477 PolarHBondContact O-OG1 3.41Å; L474-L478 HydrophobicContact CD1-CD1 4.25Å; L474-L478 HydrophobicContact CD1-CG 4.23Å; L474-L478 HydrophobicContact CG-CD1 3.9Å; L474-L478 HydrophobicContact CG-CG 4.33Å; L474-L478 VanDerWaalsContact O-CB 3.28Å; L474-L478 WeakPolarHBondContact O-CB 3.28Å; L474-L478 VanDerWaalsContact O-CG 3.29Å; L474-L478 WeakPolarHBondContact O-CG 3.26Å; L474-L478 PolarHBondContact O-N 2.78Å |
| 475 | Y | 91 | Very high | 85.2 | Confident | 78 Ų | 78 | 51.1 Ų | 51.1 | 31% | 0.306 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.2 | -44.3 | 171.3 | 163.3 | -102.6 | 0 | 0 | 0 | 111.2 | V471 S479 F486 N488 | V471-Y475 VanDerWaalsContact O-CB 3.22Å; V471-Y475 WeakPolarHBondContact O-CB 3.22Å; V471-Y475 PolarHBondContact O-N 3.04Å; Y475-S479 VanDerWaalsContact O-CB 3.26Å; Y475-S479 WeakPolarHBondContact O-CB 3.48Å; Y475-S479 PolarHBondContact O-N 3.33Å; Y475-S479 PolarHBondContact O-OG 3.38Å; Y475-F486 AromaticContact CE2-CD2 3.69Å; Y475-F486 HydrophobicContact CE2-CD2 3.69Å; Y475-F486 AromaticContact CE2-CE2 3.96Å; Y475-F486 HydrophobicContact CE2-CE2 3.96Å; Y475-F486 AromaticContact CZ-CD2 3.73Å; Y475-F486 WeakPolarHBondContact OH-CB 3.42Å; Y475-F486 VanDerWaalsContact OH-CD2 3.28Å; Y475-F486 WeakPolarHBondContact OH-CD2 3.4Å; Y475-F486 WeakPolarHBondContact OH-CG 3.26Å; Y475-N488 HydrophobicContact CE1-CB 4.25Å; Y475-N488 PolarHBondContact OH-ND2 3.06Å; Y475-N488 VanDerWaalsContact OH-ND2 3.08Å |
| 476 | F | 87.3 | Confident | 85.3 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 6% | 0.057 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.4 | -50.9 | 176.4 | 174.1 | -110.8 | 0 | 0 | 0 | 111.8 | W422 T472 S473 L474 S479 L480 V489 A491 | W422-F476 AromaticContact CD1-CD1 3.55Å; W422-F476 AromaticContact CD2-CD1 3.88Å; W422-F476 HydrophobicContact CD2-CD1 3.88Å; W422-F476 AromaticContact CD2-CE1 3.89Å; W422-F476 HydrophobicContact CD2-CE1 3.89Å; W422-F476 AromaticContact CE2-CD1 3.6Å; W422-F476 AromaticContact CE2-CE1 3.75Å; W422-F476 HydrophobicContact CE3-CE1 4.33Å; W422-F476 AromaticContact CG-CD1 3.85Å; W422-F476 HydrophobicContact CG-CD1 3.85Å; W422-F476 HydrophobicContact CG-CE1 4.27Å; W422-F476 HydrophobicContact CZ2-CD1 4.27Å; W422-F476 HydrophobicContact CZ2-CE1 4.1Å; W422-F476 AromaticContact NE1-CD1 3.37Å; W422-F476 AromaticContact NE1-CG 3.91Å; T472-F476 PolarHBondContact O-N 3.27Å; S473-F476 PolarHBondContact O-N 2.9Å; L474-F476 VanDerWaalsContact C-N 3.31Å; L474-F476 PolarHBondContact O-N 3.39Å; F476-S479 WeakPolarHBondContact O-CB 3.31Å; F476-S479 PolarHBondContact O-N 3.02Å; F476-L480 HydrophobicContact CE1-CD2 4.23Å; F476-L480 HydrophobicContact CE2-CD1 4.39Å; F476-L480 HydrophobicContact CZ-CD1 4.12Å; F476-L480 HydrophobicContact CZ-CD2 4.09Å; F476-L480 WeakPolarHBondContact O-CB 3.33Å; F476-L480 PolarHBondContact O-N 3.22Å; F476-V489 HydrophobicContact CB-CB 4.24Å; F476-V489 HydrophobicContact CB-CG1 4.02Å; F476-V489 HydrophobicContact CD2-CB 4.1Å; F476-V489 HydrophobicContact CD2-CG1 3.91Å; F476-V489 VanDerWaalsContact CD2-O 3.23Å; F476-V489 WeakPolarHBondContact CD2-O 3.29Å; F476-V489 WeakPolarHBondContact CE2-O 3.45Å; F476-V489 HydrophobicContact CG-CB 4.37Å; F476-V489 HydrophobicContact CG-CG1 3.9Å; F476-A491 HydrophobicContact CE1-CB 3.91Å; F476-A491 HydrophobicContact CE2-CB 4.46Å; F476-A491 HydrophobicContact CZ-CB 3.48Å; F476-A491 VanDerWaalsContact CZ-CB 3.48Å |
| 477 | T | 88.5 | Confident | 85 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71 | -36.4 | -176.6 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | A415 L418 A419 W422 S473 L474 L480 I481 | A415-T477 PolarHBondContact O-OG1 2.99Å; L418-T477 HydrophobicContact CB-CG2 3.86Å; A419-T477 HydrophobicContact CB-CG2 4.45Å; W422-T477 HydrophobicContact CB-CG2 4.38Å; S473-T477 PolarHBondContact O-N 3.28Å; S473-T477 VanDerWaalsContact O-N 3.1Å; S473-T477 PolarHBondContact O-OG1 2.92Å; L474-T477 PolarHBondContact O-N 2.93Å; L474-T477 PolarHBondContact O-OG1 3.41Å; T477-L480 WeakPolarHBondContact O-CB 3.22Å; T477-L480 PolarHBondContact O-N 3.29Å; T477-I481 WeakPolarHBondContact O-CD1 3.48Å; T477-I481 WeakPolarHBondContact O-CG1 3.43Å; T477-I481 PolarHBondContact O-N 3.1Å |
| 478 | L | 87.3 | Confident | 84.5 | Confident | 60 Ų | 60 | 49.7 Ų | 49.7 | 31% | 0.314 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 169.5 | -74.5 | 170.7 | 0 | 0 | 0 | 111 | F411 A415 L474 L480 I481 T482 | F411-L478 HydrophobicContact CE1-CD2 4.21Å; A415-L478 HydrophobicContact CB-CD2 3.57Å; A415-L478 HydrophobicContact CB-CG 4.09Å; L474-L478 HydrophobicContact CD1-CD1 4.25Å; L474-L478 HydrophobicContact CD1-CG 4.23Å; L474-L478 HydrophobicContact CG-CD1 3.9Å; L474-L478 HydrophobicContact CG-CG 4.33Å; L474-L478 VanDerWaalsContact O-CB 3.28Å; L474-L478 WeakPolarHBondContact O-CB 3.28Å; L474-L478 VanDerWaalsContact O-CG 3.29Å; L474-L478 WeakPolarHBondContact O-CG 3.26Å; L474-L478 PolarHBondContact O-N 2.78Å; L478-L480 PolarHBondContact O-N 3.19Å; L478-I481 PolarHBondContact O-N 3.19Å; L478-T482 WeakPolarHBondContact O-CB 3.38Å; L478-T482 VanDerWaalsContact O-CG2 3.31Å; L478-T482 WeakPolarHBondContact O-CG2 3.41Å; L478-T482 PolarHBondContact O-N 3.39Å; L478-T482 PolarHBondContact O-OG1 2.87Å |
| 479 | S | 85 | Confident | 83.6 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -29.6 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | Y475 F476 S483 I484 G485 F486 | Y475-S479 VanDerWaalsContact O-CB 3.26Å; Y475-S479 WeakPolarHBondContact O-CB 3.48Å; Y475-S479 PolarHBondContact O-N 3.33Å; Y475-S479 PolarHBondContact O-OG 3.38Å; F476-S479 WeakPolarHBondContact O-CB 3.31Å; F476-S479 PolarHBondContact O-N 3.02Å; S479-S483 PolarHBondContact O-N 3.1Å; S479-I484 PolarHBondContact O-N 3.49Å; S479-G485 PolarHBondContact O-N 3.1Å; S479-F486 WeakPolarHBondContact OG-CD2 3.34Å |
| 480 | L | 82.4 | Confident | 82.5 | Confident | 57 Ų | 57 | 50.3 Ų | 50.3 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -76.2 | -50.2 | 178.5 | -162.1 | 70.4 | 0 | 0 | 0 | 111.9 | F476 T477 L478 S483 F494 | F476-L480 HydrophobicContact CE1-CD2 4.23Å; F476-L480 HydrophobicContact CE2-CD1 4.39Å; F476-L480 HydrophobicContact CZ-CD1 4.12Å; F476-L480 HydrophobicContact CZ-CD2 4.09Å; F476-L480 WeakPolarHBondContact O-CB 3.33Å; F476-L480 PolarHBondContact O-N 3.22Å; T477-L480 WeakPolarHBondContact O-CB 3.22Å; T477-L480 PolarHBondContact O-N 3.29Å; L478-L480 PolarHBondContact O-N 3.19Å; L480-S483 PolarHBondContact O-N 3.26Å; L480-S483 VanDerWaalsContact O-N 3.09Å; L480-F494 WeakPolarHBondContact CD1-O 3.29Å; L480-F494 HydrophobicContact CD2-CB 4.37Å |
| 481 | I | 80.9 | Confident | 81.1 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -77 | -25.8 | -175.3 | -44.3 | 149.6 | 0 | 0 | 0 | 111.2 | F411 A415 L418 T477 L478 S483 | F411-I481 HydrophobicContact CD2-CG2 4.33Å; F411-I481 HydrophobicContact CE2-CB 4.04Å; F411-I481 HydrophobicContact CE2-CG2 3.63Å; A415-I481 HydrophobicContact CB-CD1 3.76Å; L418-I481 HydrophobicContact CD1-CD1 3.73Å; L418-I481 HydrophobicContact CD1-CG1 4.14Å; T477-I481 WeakPolarHBondContact O-CD1 3.48Å; T477-I481 WeakPolarHBondContact O-CG1 3.43Å; T477-I481 PolarHBondContact O-N 3.1Å; L478-I481 PolarHBondContact O-N 3.19Å; I481-S483 VanDerWaalsContact C-N 3.26Å |
| 482 | T | 82.6 | Confident | 79.2 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -2.3 | 168 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | F411 L478 I484 | F411-T482 HydrophobicContact CZ-CG2 3.87Å; L478-T482 WeakPolarHBondContact O-CB 3.38Å; L478-T482 VanDerWaalsContact O-CG2 3.31Å; L478-T482 WeakPolarHBondContact O-CG2 3.41Å; L478-T482 PolarHBondContact O-N 3.39Å; L478-T482 PolarHBondContact O-OG1 2.87Å; T482-I484 PolarHBondContact O-N 3.49Å; T482-I484 VanDerWaalsContact O-N 3.16Å; T482-I484 WeakPolarHBondContact OG1-CD1 3.45Å; T482-I484 WeakPolarHBondContact OG1-CG1 3.28Å |
| 483 | S | 81.3 | Confident | 77.2 | Confident | 97 Ų | 97 | 54.9 Ų | 54.9 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 15.2 | -175.2 | 59.4 | 0 | 0 | 0 | 0 | 116.7 | S479 L480 I481 | S479-S483 PolarHBondContact O-N 3.1Å; L480-S483 PolarHBondContact O-N 3.26Å; L480-S483 VanDerWaalsContact O-N 3.09Å; I481-S483 VanDerWaalsContact C-N 3.26Å |
| 484 | I | 82.9 | Confident | 75.2 | Confident | 102 Ų | 102 | 61.2 Ų | 61.2 | 52% | 0.523 | 36% | 0.357 | S | S | . | . | trans | -73.9 | -36.6 | 179 | -60.4 | 171.2 | 0 | 0 | 0 | 112 | S479 T482 F486 | S479-I484 PolarHBondContact O-N 3.49Å; T482-I484 PolarHBondContact O-N 3.49Å; T482-I484 VanDerWaalsContact O-N 3.16Å; T482-I484 WeakPolarHBondContact OG1-CD1 3.45Å; T482-I484 WeakPolarHBondContact OG1-CG1 3.28Å; I484-F486 HydrophobicContact CB-CE2 4.43Å; I484-F486 HydrophobicContact CG2-CD1 4.1Å; I484-F486 HydrophobicContact CG2-CD2 3.94Å; I484-F486 HydrophobicContact CG2-CE1 3.75Å; I484-F486 HydrophobicContact CG2-CE2 3.58Å; I484-F486 HydrophobicContact CG2-CG 4.19Å; I484-F486 HydrophobicContact CG2-CZ 3.48Å; I484-F486 VanDerWaalsContact CG2-CZ 3.48Å; I484-F486 PolarHBondContact O-N 2.84Å | ||
| 485 | G | 75.7 | Confident | 73.3 | Confident | 52 Ų | 52 | 63.5 Ų | 63.5 | 54% | 0.536 | 38% | 0.381 | S | S | . | . | trans | 60.1 | 36 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | S479 G487 | S479-G485 PolarHBondContact O-N 3.1Å; G485-G487 PolarHBondContact O-N 3.1Å | ||
| 486 | F | 79.4 | Confident | 71.5 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | trans | -48.5 | -12.9 | -172.7 | -66.7 | -71.9 | 0 | 0 | 0 | 119 | Y475 S479 I484 N488 | Y475-F486 AromaticContact CE2-CD2 3.69Å; Y475-F486 HydrophobicContact CE2-CD2 3.69Å; Y475-F486 AromaticContact CE2-CE2 3.96Å; Y475-F486 HydrophobicContact CE2-CE2 3.96Å; Y475-F486 AromaticContact CZ-CD2 3.73Å; Y475-F486 WeakPolarHBondContact OH-CB 3.42Å; Y475-F486 VanDerWaalsContact OH-CD2 3.28Å; Y475-F486 WeakPolarHBondContact OH-CD2 3.4Å; Y475-F486 WeakPolarHBondContact OH-CG 3.26Å; S479-F486 WeakPolarHBondContact OG-CD2 3.34Å; I484-F486 HydrophobicContact CB-CE2 4.43Å; I484-F486 HydrophobicContact CG2-CD1 4.1Å; I484-F486 HydrophobicContact CG2-CD2 3.94Å; I484-F486 HydrophobicContact CG2-CE1 3.75Å; I484-F486 HydrophobicContact CG2-CE2 3.58Å; I484-F486 HydrophobicContact CG2-CG 4.19Å; I484-F486 HydrophobicContact CG2-CZ 3.48Å; I484-F486 VanDerWaalsContact CG2-CZ 3.48Å; I484-F486 PolarHBondContact O-N 2.84Å; F486-N488 PolarHBondContact O-N 3.44Å | ||
| 487 | G | 72.9 | Confident | 70.1 | Confident | 37 Ų | 37 | 69 Ų | 69 | 38% | 0.381 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 75.8 | -15.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | R441 G485 V489 | R441-G487 PolarHBondContact NH2-O 2.84Å; G485-G487 PolarHBondContact O-N 3.1Å; G487-V489 PolarHBondContact O-N 3.02Å |
| 488 | N | 72 | Confident | 69.2 | Low | 96 Ų | 96 | 73.9 Ų | 73.9 | 51% | 0.513 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -52.4 | -43.1 | 173.2 | -67.8 | -15.7 | 0 | 0 | 0 | 111.9 | R441 Y475 F486 | R441-N488 VanDerWaalsContact CZ-O 3.24Å; R441-N488 PolarHBondContact NH2-O 3.47Å; Y475-N488 HydrophobicContact CE1-CB 4.25Å; Y475-N488 PolarHBondContact OH-ND2 3.06Å; Y475-N488 VanDerWaalsContact OH-ND2 3.08Å; F486-N488 PolarHBondContact O-N 3.44Å |
| 489 | V | 67.4 | Low | 68.5 | Low | 18 Ų | 18 | 74.9 Ų | 74.9 | 11% | 0.109 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -123.9 | 136.7 | 164.3 | 178.7 | 0 | 0 | 0 | 0 | 106.8 | W422 W438 T472 F476 G487 | W422-V489 HydrophobicContact CZ2-CG1 4.31Å; W438-V489 HydrophobicContact CB-CG1 4.27Å; W438-V489 HydrophobicContact CE3-CG1 4.4Å; T472-V489 HydrophobicContact CG2-CG2 3.71Å; F476-V489 HydrophobicContact CB-CB 4.24Å; F476-V489 HydrophobicContact CB-CG1 4.02Å; F476-V489 HydrophobicContact CD2-CB 4.1Å; F476-V489 HydrophobicContact CD2-CG1 3.91Å; F476-V489 VanDerWaalsContact CD2-O 3.23Å; F476-V489 WeakPolarHBondContact CD2-O 3.29Å; F476-V489 WeakPolarHBondContact CE2-O 3.45Å; F476-V489 HydrophobicContact CG-CB 4.37Å; F476-V489 HydrophobicContact CG-CG1 3.9Å; G487-V489 PolarHBondContact O-N 3.02Å |
| 490 | S | 62.8 | Low | 67.9 | Low | 64 Ų | 64 | 79.3 Ų | 79.3 | 45% | 0.448 | 48% | 0.478 | S | S | . | . | trans | -147 | 111.2 | -168.9 | 57 | 0 | 0 | 0 | 0 | 111.8 | R441 | R441-S490 PolarHBondContact NH1-OG 2.93Š| ||
| 491 | A | 60.3 | Low | 67.4 | Low | 26 Ų | 26 | 78.3 Ų | 78.3 | 22% | 0.215 | 47% | 0.473 | C | S | . | . | trans | -85 | 150.6 | 160 | 0 | 0 | 0 | 0 | 0 | 109.8 | W422 F476 | W422-A491 HydrophobicContact CE3-CB 4.48Å; W422-A491 HydrophobicContact CH2-CB 3.43Å; W422-A491 VanDerWaalsContact CH2-CB 3.43Å; W422-A491 HydrophobicContact CZ2-CB 4.11Å; W422-A491 HydrophobicContact CZ3-CB 3.65Å; F476-A491 HydrophobicContact CE1-CB 3.91Å; F476-A491 HydrophobicContact CE2-CB 4.46Å; F476-A491 HydrophobicContact CZ-CB 3.48Å; F476-A491 VanDerWaalsContact CZ-CB 3.48Å | ||
| 492 | T | 53 | Low | 67.2 | Low | 139 Ų | 139 | 83.2 Ų | 83.2 | 85% | 0.853 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -93.1 | 4.4 | -173.3 | 43.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 493 | T | 46 | Very low | 67.1 | Low | 95 Ų | 95 | 82.9 Ų | 82.9 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -139.1 | -4.2 | -151.9 | 40.8 | 0 | 0 | 0 | 0 | 119.8 | ||
| 494 | F | 50 | Low | 67 | Low | 134 Ų | 134 | 82.2 Ų | 82.2 | 59% | 0.588 | 49% | 0.487 | S | S | * | . | trans | -140.1 | 130.4 | -173.6 | -61.3 | -75 | 0 | 0 | 0 | 115 | L480 | L480-F494 WeakPolarHBondContact CD1-O 3.29Å; L480-F494 HydrophobicContact CD2-CB 4.37Å | ||
| 495 | A | 50.8 | Low | 66.9 | Low | 82 Ų | 82 | 78.9 Ų | 78.9 | 68% | 0.678 | 47% | 0.471 | S | S | * | . | trans | -156 | 75.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 496 | F | 52.7 | Low | 67.3 | Low | 175 Ų | 175 | 78.8 Ų | 78.8 | 77% | 0.768 | 46% | 0.46 | S | S | * | . | trans | -144.8 | 137.6 | 170.2 | -73.6 | -81 | 0 | 0 | 0 | 110.4 | V1400 | F496-V1400 HydrophobicContact CD1-CG2 4.46Å; F496-V1400 HydrophobicContact CD2-CG1 4Å; F496-V1400 HydrophobicContact CD2-CG2 4.39Å; F496-V1400 HydrophobicContact CG-CG1 4.41Å; F496-V1400 HydrophobicContact CG-CG2 4.23Å | ||
| 497 | G | 58.4 | Low | 67.5 | Low | 32 Ų | 32 | 75.4 Ų | 75.4 | 33% | 0.33 | 45% | 0.449 | S | S | . | . | trans | 158.3 | -31.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 498 | Y | 69 | Low | 67.8 | Low | 107 Ų | 107 | 74.3 Ų | 74.3 | 42% | 0.42 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -72.9 | -37.7 | -167.9 | -169.1 | -101.6 | 0 | 0 | 0 | 115.5 | T500 I501 F502 | Y498-T500 PolarHBondContact O-N 2.89Å; Y498-I501 PolarHBondContact O-N 2.9Å; Y498-F502 HydrophobicContact CD1-CB 4.18Å; Y498-F502 HydrophobicContact CE1-CB 3.81Å; Y498-F502 AromaticContact CE1-CD2 3.75Å; Y498-F502 HydrophobicContact CE1-CD2 3.75Å; Y498-F502 HydrophobicContact CE1-CG 4.01Å; Y498-F502 PolarHBondContact O-N 3.49Å; Y498-F502 VanDerWaalsContact O-N 3.16Å |
| 499 | A | 74 | Confident | 68.3 | Low | 81 Ų | 81 | 74.1 Ų | 74.1 | 67% | 0.669 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.9 | -37 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F502 G503 | A499-F502 PolarHBondContact O-N 2.77Å; A499-G503 PolarHBondContact O-N 3.4Å |
| 500 | T | 72.4 | Confident | 69.2 | Low | 101 Ų | 101 | 79 Ų | 79 | 62% | 0.62 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.5 | -39 | 179.6 | 48.4 | 0 | 0 | 0 | 0 | 111.9 | Y498 N504 | Y498-T500 PolarHBondContact O-N 2.89Å; T500-N504 WeakPolarHBondContact O-CB 3.24Å; T500-N504 VanDerWaalsContact O-CG 3.28Å; T500-N504 PolarHBondContact O-N 2.63Å |
| 501 | I | 71.6 | Confident | 70.2 | Confident | 37 Ų | 37 | 77.6 Ų | 77.6 | 19% | 0.19 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -65.4 | -48.1 | 176.2 | -66.2 | 164.8 | 0 | 0 | 0 | 109.5 | M407 F411 Y498 G503 N504 V505 | M407-I501 HydrophobicContact CG-CG1 4.45Å; M407-I501 HydrophobicContact CG-CG2 4.17Å; M407-I501 HydrophobicContact SD-CB 4.39Å; M407-I501 HydrophobicContact SD-CG2 4.01Å; F411-I501 HydrophobicContact CB-CD1 3.97Å; F411-I501 HydrophobicContact CD2-CD1 3.42Å; F411-I501 VanDerWaalsContact CD2-CD1 3.42Å; F411-I501 HydrophobicContact CE2-CD1 4.28Å; F411-I501 HydrophobicContact CG-CD1 4.07Å; Y498-I501 PolarHBondContact O-N 2.9Å; I501-G503 VanDerWaalsContact C-N 3.34Å; I501-G503 PolarHBondContact O-N 3.22Å; I501-N504 PolarHBondContact O-N 3.02Å; I501-V505 HydrophobicContact CG2-CG2 4.23Å; I501-V505 WeakPolarHBondContact O-CB 3.1Å; I501-V505 VanDerWaalsContact O-CG2 3.26Å; I501-V505 WeakPolarHBondContact O-CG2 3.29Å; I501-V505 PolarHBondContact O-N 2.9Å |
| 502 | F | 76.2 | Confident | 71 | Confident | 112 Ų | 112 | 81 Ų | 81 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 179.5 | -165.7 | -92.7 | 0 | 0 | 0 | 112.9 | Y498 A499 T506 | Y498-F502 HydrophobicContact CD1-CB 4.18Å; Y498-F502 HydrophobicContact CE1-CB 3.81Å; Y498-F502 AromaticContact CE1-CD2 3.75Å; Y498-F502 HydrophobicContact CE1-CD2 3.75Å; Y498-F502 HydrophobicContact CE1-CG 4.01Å; Y498-F502 PolarHBondContact O-N 3.49Å; Y498-F502 VanDerWaalsContact O-N 3.16Å; A499-F502 PolarHBondContact O-N 2.77Å; F502-T506 WeakPolarHBondContact O-CB 3.26Å; F502-T506 PolarHBondContact O-N 2.86Å; F502-T506 PolarHBondContact O-OG1 2.69Å |
| 503 | G | 80.9 | Confident | 72.5 | Confident | 33 Ų | 33 | 80.8 Ų | 80.8 | 34% | 0.34 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A499 I501 T506 T507 | A499-G503 PolarHBondContact O-N 3.4Å; I501-G503 VanDerWaalsContact C-N 3.34Å; I501-G503 PolarHBondContact O-N 3.22Å; G503-T506 PolarHBondContact O-N 2.97Å; G503-T507 PolarHBondContact O-N 2.77Å; G503-T507 PolarHBondContact O-OG1 3.43Å |
| 504 | N | 78.6 | Confident | 74.5 | Confident | 84 Ų | 84 | 78 Ų | 78 | 45% | 0.449 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 176.4 | -74.5 | -11 | 0 | 0 | 0 | 112 | M407 T500 I501 T506 T507 I508 | M407-N504 HydrophobicContact CE-CB 4Å; M407-N504 HydrophobicContact SD-CB 3.43Å; M407-N504 WeakPolarHBondContact SD-CB 3.26Å; T500-N504 WeakPolarHBondContact O-CB 3.24Å; T500-N504 VanDerWaalsContact O-CG 3.28Å; T500-N504 PolarHBondContact O-N 2.63Å; I501-N504 PolarHBondContact O-N 3.02Å; N504-T506 VanDerWaalsContact C-N 3.31Å; N504-T506 PolarHBondContact O-N 3.42Å; N504-T507 PolarHBondContact O-N 3.39Å; N504-I508 WeakPolarHBondContact O-CG1 3.5Å; N504-I508 PolarHBondContact O-N 3.04Å |
| 505 | V | 80.4 | Confident | 76.1 | Confident | 32 Ų | 32 | 75.3 Ų | 75.3 | 19% | 0.194 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -57.4 | -46 | 173.2 | 168.7 | 0 | 0 | 0 | 0 | 110.4 | L404 M407 I501 T507 I508 F509 | L404-V505 HydrophobicContact CD1-CG2 4.06Å; M407-V505 HydrophobicContact CE-CB 4.31Å; M407-V505 HydrophobicContact CE-CG2 3.4Å; M407-V505 HydrophobicContact SD-CG2 4.24Å; I501-V505 HydrophobicContact CG2-CG2 4.23Å; I501-V505 WeakPolarHBondContact O-CB 3.1Å; I501-V505 VanDerWaalsContact O-CG2 3.26Å; I501-V505 WeakPolarHBondContact O-CG2 3.29Å; I501-V505 PolarHBondContact O-N 2.9Å; V505-T507 PolarHBondContact O-N 2.85Å; V505-I508 PolarHBondContact O-N 2.61Å; V505-F509 HydrophobicContact CG1-CD2 3.66Å; V505-F509 HydrophobicContact CG1-CE2 3.58Å; V505-F509 VanDerWaalsContact O-CD2 3.31Å; V505-F509 WeakPolarHBondContact O-CD2 3.48Å; V505-F509 PolarHBondContact O-N 3.23Å |
| 506 | T | 83.9 | Confident | 77.8 | Confident | 49 Ų | 49 | 79.1 Ų | 79.1 | 30% | 0.301 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 177.7 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | F502 G503 N504 I508 F509 Q510 | F502-T506 WeakPolarHBondContact O-CB 3.26Å; F502-T506 PolarHBondContact O-N 2.86Å; F502-T506 PolarHBondContact O-OG1 2.69Å; G503-T506 PolarHBondContact O-N 2.97Å; N504-T506 VanDerWaalsContact C-N 3.31Å; N504-T506 PolarHBondContact O-N 3.42Å; T506-I508 PolarHBondContact O-N 3.04Å; T506-F509 PolarHBondContact O-N 2.85Å; T506-Q510 HydrophobicContact CG2-CG 4.47Å; T506-Q510 WeakPolarHBondContact O-CB 3.43Å; T506-Q510 VanDerWaalsContact O-CG 3.32Å; T506-Q510 WeakPolarHBondContact O-CG 3.44Å; T506-Q510 PolarHBondContact O-N 2.95Å |
| 507 | T | 83.8 | Confident | 79.6 | Confident | 49 Ų | 49 | 73.4 Ų | 73.4 | 30% | 0.301 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 177.9 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | G503 N504 V505 Q510 G511 L1224 | G503-T507 PolarHBondContact O-N 2.77Å; G503-T507 PolarHBondContact O-OG1 3.43Å; N504-T507 PolarHBondContact O-N 3.39Å; V505-T507 PolarHBondContact O-N 2.85Å; T507-Q510 PolarHBondContact O-N 3.38Å; T507-G511 PolarHBondContact O-N 3.03Å; T507-G511 VanDerWaalsContact O-N 3.08Å; T507-L1224 HydrophobicContact CG2-CB 4.4Å; T507-L1224 HydrophobicContact CG2-CD1 4.28Å |
| 508 | I | 80.5 | Confident | 81.1 | Confident | 14 Ų | 14 | 80 Ų | 80 | 7% | 0.072 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 175.7 | -69.9 | 166.7 | 0 | 0 | 0 | 110.7 | M400 L404 M407 N504 V505 T506 Q510 G511 M512 | M400-I508 HydrophobicContact CB-CG2 4.37Å; M400-I508 HydrophobicContact CE-CB 4.47Å; M400-I508 HydrophobicContact CE-CG2 4.33Å; M400-I508 WeakPolarHBondContact CE-O 3.42Å; L404-I508 HydrophobicContact CB-CD1 4.3Å; L404-I508 HydrophobicContact CB-CG2 4.48Å; M407-I508 HydrophobicContact CE-CD1 3.68Å; N504-I508 WeakPolarHBondContact O-CG1 3.5Å; N504-I508 PolarHBondContact O-N 3.04Å; V505-I508 PolarHBondContact O-N 2.61Å; T506-I508 PolarHBondContact O-N 3.04Å; I508-Q510 PolarHBondContact O-N 2.97Å; I508-G511 PolarHBondContact O-N 3.21Å; I508-M512 HydrophobicContact CG2-CG 4.47Å; I508-M512 HydrophobicContact CG2-SD 3.96Å; I508-M512 WeakPolarHBondContact O-CG 3.47Å; I508-M512 PolarHBondContact O-N 3.46Å |
| 509 | F | 81.5 | Confident | 82.2 | Confident | 92 Ų | 92 | 77 Ų | 77 | 40% | 0.404 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 177.3 | -81.3 | -62.7 | 0 | 0 | 0 | 112.6 | V505 T506 G511 M512 Y513 | V505-F509 HydrophobicContact CG1-CD2 3.66Å; V505-F509 HydrophobicContact CG1-CE2 3.58Å; V505-F509 VanDerWaalsContact O-CD2 3.31Å; V505-F509 WeakPolarHBondContact O-CD2 3.48Å; V505-F509 PolarHBondContact O-N 3.23Å; T506-F509 PolarHBondContact O-N 2.85Å; F509-G511 PolarHBondContact O-N 3.22Å; F509-M512 PolarHBondContact O-N 2.88Å; F509-Y513 AromaticContact CD1-CE2 3.98Å; F509-Y513 HydrophobicContact CD1-CE2 3.98Å; F509-Y513 VanDerWaalsContact O-CD2 3.29Å; F509-Y513 WeakPolarHBondContact O-CD2 3.34Å; F509-Y513 PolarHBondContact O-N 3.49Å |
| 510 | Q | 86.4 | Confident | 83.2 | Confident | 121 Ų | 121 | 78.1 Ų | 78.1 | 57% | 0.565 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.6 | -44.3 | 176.4 | -76.5 | 175.8 | -3.5 | 0 | 0 | 112.1 | T506 T507 I508 A514 | T506-Q510 HydrophobicContact CG2-CG 4.47Å; T506-Q510 WeakPolarHBondContact O-CB 3.43Å; T506-Q510 VanDerWaalsContact O-CG 3.32Å; T506-Q510 WeakPolarHBondContact O-CG 3.44Å; T506-Q510 PolarHBondContact O-N 2.95Å; T507-Q510 PolarHBondContact O-N 3.38Å; I508-Q510 PolarHBondContact O-N 2.97Å; Q510-A514 PolarHBondContact O-N 2.9Å |
| 511 | G | 83.6 | Confident | 84.2 | Confident | 35 Ų | 35 | 77.4 Ų | 77.4 | 36% | 0.361 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.1 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T507 I508 F509 Y513 A514 | T507-G511 PolarHBondContact O-N 3.03Å; T507-G511 VanDerWaalsContact O-N 3.08Å; I508-G511 PolarHBondContact O-N 3.21Å; F509-G511 PolarHBondContact O-N 3.22Å; G511-Y513 VanDerWaalsContact C-N 3.33Å; G511-Y513 PolarHBondContact O-N 3.44Å; G511-A514 WeakPolarHBondContact O-CB 3.19Å; G511-A514 PolarHBondContact O-N 3.39Å |
| 512 | M | 77.9 | Confident | 85.2 | Confident | 98 Ų | 98 | 78.9 Ų | 78.9 | 48% | 0.483 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 176.1 | -74.7 | 179.5 | 64.6 | 0 | 0 | 112.5 | M400 I508 F509 | M400-M512 HydrophobicContact CB-CG 3.96Å; M400-M512 HydrophobicContact CB-SD 4.4Å; M400-M512 HydrophobicContact CE-CG 4.2Å; M400-M512 HydrophobicContact CG-CG 4.47Å; M400-M512 HydrophobicContact SD-CG 3.74Å; I508-M512 HydrophobicContact CG2-CG 4.47Å; I508-M512 HydrophobicContact CG2-SD 3.96Å; I508-M512 WeakPolarHBondContact O-CG 3.47Å; I508-M512 PolarHBondContact O-N 3.46Å; F509-M512 PolarHBondContact O-N 2.88Å |
| 513 | Y | 84.8 | Confident | 86.1 | Confident | 133 Ų | 133 | 74.1 Ų | 74.1 | 52% | 0.522 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -86.3 | -7.5 | 178.4 | -73 | -64.8 | 0 | 0 | 0 | 114.4 | F509 G511 T515 R516 S517 | F509-Y513 AromaticContact CD1-CE2 3.98Å; F509-Y513 HydrophobicContact CD1-CE2 3.98Å; F509-Y513 VanDerWaalsContact O-CD2 3.29Å; F509-Y513 WeakPolarHBondContact O-CD2 3.34Å; F509-Y513 PolarHBondContact O-N 3.49Å; G511-Y513 VanDerWaalsContact C-N 3.33Å; G511-Y513 PolarHBondContact O-N 3.44Å; Y513-T515 VanDerWaalsContact C-N 3.35Å; Y513-T515 PolarHBondContact O-N 2.98Å; Y513-R516 CarbonylContact O-C 3.57Å; Y513-R516 WeakPolarHBondContact O-CA 3.2Å; Y513-R516 PolarHBondContact O-N 3.35Å; Y513-S517 PolarHBondContact O-N 3.43Å |
| 514 | A | 87.4 | Confident | 86.8 | Confident | 36 Ų | 36 | 74.8 Ų | 74.8 | 30% | 0.298 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -54.8 | -42.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q510 G511 S517 R518 | Q510-A514 PolarHBondContact O-N 2.9Å; G511-A514 WeakPolarHBondContact O-CB 3.19Å; G511-A514 PolarHBondContact O-N 3.39Å; A514-S517 PolarHBondContact O-N 3.36Å; A514-R518 WeakPolarHBondContact O-CG 3.1Å; A514-R518 PolarHBondContact O-N 3.3Å; A514-R518 VanDerWaalsContact O-N 3.11Å |
| 515 | T | 84 | Confident | 87.7 | Confident | 78 Ų | 78 | 74.5 Ų | 74.5 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.6 | -35.3 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | Y513 Y519 W551 | Y513-T515 VanDerWaalsContact C-N 3.35Å; Y513-T515 PolarHBondContact O-N 2.98Å; T515-Y519 PolarHBondContact O-N 2.97Å; T515-W551 HydrophobicContact CG2-CZ2 3.99Å; T515-W551 WeakPolarHBondContact O-CZ2 2.99Å |
| 516 | R | 86.2 | Confident | 88.4 | Confident | 163 Ų | 163 | 74.4 Ų | 74.4 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -73.2 | -35.9 | 175.5 | -179.8 | 166.7 | -77 | 168.8 | -2.2 | 111.7 | Y513 Y519 H520 | Y513-R516 CarbonylContact O-C 3.57Å; Y513-R516 WeakPolarHBondContact O-CA 3.2Å; Y513-R516 PolarHBondContact O-N 3.35Å; R516-Y519 PolarHBondContact O-N 2.94Å; R516-H520 PolarHBondContact O-CD2 2.95Å; R516-H520 PolarHBondContact O-N 3.23Å; R516-H520 VanDerWaalsContact O-N 3.13Å |
| 517 | S | 90.2 | Very high | 89 | Confident | 55 Ų | 55 | 77.2 Ų | 77.2 | 39% | 0.385 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -55.1 | -56.4 | 169.7 | -165.7 | 0 | 0 | 0 | 0 | 109.8 | Y513 A514 Y519 H520 D521 | Y513-S517 PolarHBondContact O-N 3.43Å; A514-S517 PolarHBondContact O-N 3.36Å; S517-Y519 CarbonylContact O-C 3.5Å; S517-Y519 PolarHBondContact O-N 3.18Å; S517-H520 CarbonylContact O-C 3.5Å; S517-H520 WeakPolarHBondContact O-CA 3.23Å; S517-H520 PolarHBondContact O-N 3.29Å; S517-D521 WeakPolarHBondContact O-CB 3.49Å; S517-D521 PolarHBondContact O-N 3.43Å; S517-D521 PolarHBondContact OG-OD2 3.34Å |
| 518 | R | 90.3 | Very high | 89.6 | Confident | 171 Ų | 171 | 79.2 Ų | 79.2 | 65% | 0.645 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -53 | -36.6 | -179.5 | -71.9 | 175.5 | -176.9 | 169.8 | 4.1 | 113.8 | A514 D521 M522 W551 | A514-R518 WeakPolarHBondContact O-CG 3.1Å; A514-R518 PolarHBondContact O-N 3.3Å; A514-R518 VanDerWaalsContact O-N 3.11Å; R518-D521 PolarHBondContact N-OD2 3.2Å; R518-M522 WeakPolarHBondContact O-CB 3.39Å; R518-M522 PolarHBondContact O-N 2.95Å; R518-W551 HydrophobicContact CB-CH2 4.33Å |
| 519 | Y | 92.4 | Very high | 90.3 | Very high | 44 Ų | 44 | 84.5 Ų | 84.5 | 17% | 0.173 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.8 | -49.9 | 172.1 | 176.6 | -112.4 | 0 | 0 | 0 | 112.3 | T515 R516 S517 M522 M523 T548 W551 | T515-Y519 PolarHBondContact O-N 2.97Å; R516-Y519 PolarHBondContact O-N 2.94Å; S517-Y519 CarbonylContact O-C 3.5Å; S517-Y519 PolarHBondContact O-N 3.18Å; Y519-M522 HydrophobicContact CD2-CE 4.05Å; Y519-M522 PolarHBondContact O-N 3.23Å; Y519-M523 HydrophobicContact CE2-CE 4.25Å; Y519-M523 WeakPolarHBondContact O-CB 3.4Å; Y519-M523 PolarHBondContact O-N 2.87Å; Y519-T548 PolarHBondContact OH-OG1 3.27Å; Y519-W551 HydrophobicContact CD2-CB 3.99Å; Y519-W551 AromaticContact CD2-CD1 3.54Å; Y519-W551 AromaticContact CD2-CD2 3.53Å; Y519-W551 HydrophobicContact CD2-CD2 3.53Å; Y519-W551 AromaticContact CD2-CE2 3.79Å; Y519-W551 HydrophobicContact CD2-CE3 4.14Å; Y519-W551 AromaticContact CD2-CG 3.4Å; Y519-W551 HydrophobicContact CD2-CG 3.4Å; Y519-W551 VanDerWaalsContact CD2-CG 3.4Å; Y519-W551 AromaticContact CD2-NE1 3.77Å; Y519-W551 HydrophobicContact CE2-CB 3.9Å; Y519-W551 AromaticContact CE2-CD1 3.93Å; Y519-W551 HydrophobicContact CE2-CD2 4.35Å; Y519-W551 AromaticContact CE2-CG 3.78Å; Y519-W551 HydrophobicContact CE2-CG 3.78Å; Y519-W551 HydrophobicContact CG-CD2 4.25Å; Y519-W551 HydrophobicContact CG-CG 4.31Å; Y519-W551 AromaticContact CG-NE1 3.92Å |
| 520 | H | 93.5 | Very high | 91 | Very high | 103 Ų | 103 | 81.2 Ų | 81.2 | 48% | 0.477 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 179.2 | -68.1 | -61.6 | 0 | 0 | 0 | 112.6 | R516 S517 M523 A524 | R516-H520 PolarHBondContact O-CD2 2.95Å; R516-H520 PolarHBondContact O-N 3.23Å; R516-H520 VanDerWaalsContact O-N 3.13Å; S517-H520 CarbonylContact O-C 3.5Å; S517-H520 WeakPolarHBondContact O-CA 3.23Å; S517-H520 PolarHBondContact O-N 3.29Å; H520-M523 PolarHBondContact O-N 3.39Å; H520-A524 WeakPolarHBondContact O-CB 3.36Å; H520-A524 PolarHBondContact O-N 3.14Å |
| 521 | D | 94.1 | Very high | 91.5 | Very high | 86 Ų | 86 | 83 Ų | 83 | 46% | 0.46 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 176.5 | -58.7 | -40.9 | 0 | 0 | 0 | 110.8 | S517 R518 S525 | S517-D521 WeakPolarHBondContact O-CB 3.49Å; S517-D521 PolarHBondContact O-N 3.43Å; S517-D521 PolarHBondContact OG-OD2 3.34Å; R518-D521 PolarHBondContact N-OD2 3.2Å; D521-S525 WeakPolarHBondContact O-CB 3.18Å; D521-S525 PolarHBondContact O-N 2.95Å; D521-S525 PolarHBondContact O-OG 3.08Å |
| 522 | M | 93 | Very high | 92.1 | Very high | 68 Ų | 68 | 86.5 Ų | 86.5 | 34% | 0.335 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.3 | -46.8 | 173.9 | -179 | -173.4 | 66.4 | 0 | 0 | 111.7 | R518 Y519 A524 S525 V526 V547 W551 | R518-M522 WeakPolarHBondContact O-CB 3.39Å; R518-M522 PolarHBondContact O-N 2.95Å; Y519-M522 HydrophobicContact CD2-CE 4.05Å; Y519-M522 PolarHBondContact O-N 3.23Å; M522-A524 PolarHBondContact O-N 3.25Å; M522-S525 WeakPolarHBondContact O-CB 3.4Å; M522-S525 PolarHBondContact O-N 3.28Å; M522-V526 WeakPolarHBondContact O-CG2 3.44Å; M522-V526 PolarHBondContact O-N 3.39Å; M522-V547 HydrophobicContact CE-CG1 3.6Å; M522-W551 HydrophobicContact CE-CD2 4.35Å; M522-W551 HydrophobicContact CE-CE3 3.58Å; M522-W551 HydrophobicContact CE-CZ3 4.04Å; M522-W551 HydrophobicContact SD-CE3 4.46Å |
| 523 | M | 94.8 | Very high | 92.9 | Very high | 13 Ų | 13 | 87.5 Ų | 87.5 | 6% | 0.064 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.8 | -35.3 | -179.5 | 179 | 56.2 | 70.4 | 0 | 0 | 112.1 | Y519 H520 V526 K527 I544 V547 T548 | Y519-M523 HydrophobicContact CE2-CE 4.25Å; Y519-M523 WeakPolarHBondContact O-CB 3.4Å; Y519-M523 PolarHBondContact O-N 2.87Å; H520-M523 PolarHBondContact O-N 3.39Å; M523-V526 PolarHBondContact O-N 3.1Å; M523-K527 HydrophobicContact CG-CD 4.36Å; M523-K527 WeakPolarHBondContact O-CB 3.44Å; M523-K527 WeakPolarHBondContact O-CG 3.39Å; M523-K527 PolarHBondContact O-N 3.47Å; M523-K527 HydrophobicContact SD-CD 4.27Å; M523-K527 HydrophobicContact SD-CG 4.24Å; M523-I544 HydrophobicContact CE-CG2 4.23Å; M523-I544 HydrophobicContact SD-CG1 4.39Å; M523-I544 HydrophobicContact SD-CG2 4.29Å; M523-V547 HydrophobicContact CE-CB 4.22Å; M523-V547 HydrophobicContact CE-CG1 3.77Å; M523-T548 VanDerWaalsContact CE-OG1 3.3Å; M523-T548 WeakPolarHBondContact CE-OG1 3.18Å |
| 524 | A | 96 | Very high | 93.4 | Very high | 46 Ų | 46 | 86.2 Ų | 86.2 | 38% | 0.38 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.8 | -49.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | H520 M522 V526 K527 D528 | H520-A524 WeakPolarHBondContact O-CB 3.36Å; H520-A524 PolarHBondContact O-N 3.14Å; M522-A524 PolarHBondContact O-N 3.25Å; A524-V526 VanDerWaalsContact C-N 3.29Å; A524-V526 PolarHBondContact O-N 3.01Å; A524-K527 PolarHBondContact O-N 3.43Å; A524-K527 VanDerWaalsContact O-N 3.1Å; A524-D528 WeakPolarHBondContact O-CB 3.5Å; A524-D528 PolarHBondContact O-N 2.96Å |
| 525 | S | 96.5 | Very high | 93.7 | Very high | 79 Ų | 79 | 86 Ų | 86 | 55% | 0.552 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -57 | -39.9 | 176.3 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | D521 M522 F529 | D521-S525 WeakPolarHBondContact O-CB 3.18Å; D521-S525 PolarHBondContact O-N 2.95Å; D521-S525 PolarHBondContact O-OG 3.08Å; M522-S525 WeakPolarHBondContact O-CB 3.4Å; M522-S525 PolarHBondContact O-N 3.28Å; S525-F529 VanDerWaalsContact O-CB 3.3Å; S525-F529 WeakPolarHBondContact O-CB 3.39Å; S525-F529 PolarHBondContact O-N 3.12Å |
| 526 | V | 96 | Very high | 94.3 | Very high | 30 Ų | 30 | 86.3 Ų | 86.3 | 18% | 0.182 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 175.3 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | M522 M523 A524 F529 I530 V543 V547 | M522-V526 WeakPolarHBondContact O-CG2 3.44Å; M522-V526 PolarHBondContact O-N 3.39Å; M523-V526 PolarHBondContact O-N 3.1Å; A524-V526 VanDerWaalsContact C-N 3.29Å; A524-V526 PolarHBondContact O-N 3.01Å; V526-F529 PolarHBondContact O-N 3.34Å; V526-I530 HydrophobicContact CG1-CD1 3.89Å; V526-I530 WeakPolarHBondContact O-CB 3.26Å; V526-I530 VanDerWaalsContact O-CG1 3.32Å; V526-I530 WeakPolarHBondContact O-CG1 3.36Å; V526-I530 PolarHBondContact O-N 3.39Å; V526-V543 HydrophobicContact CG1-CG1 3.87Å; V526-V547 HydrophobicContact CG2-CG2 4.42Å |
| 527 | K | 96.1 | Very high | 94.7 | Very high | 107 Ų | 107 | 86.1 Ų | 86.1 | 47% | 0.465 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 177.5 | -74.6 | 178.8 | 177.8 | -173.1 | 0 | 112.5 | M523 A524 I530 K531 I544 | M523-K527 HydrophobicContact CG-CD 4.36Å; M523-K527 WeakPolarHBondContact O-CB 3.44Å; M523-K527 WeakPolarHBondContact O-CG 3.39Å; M523-K527 PolarHBondContact O-N 3.47Å; M523-K527 HydrophobicContact SD-CD 4.27Å; M523-K527 HydrophobicContact SD-CG 4.24Å; A524-K527 PolarHBondContact O-N 3.43Å; A524-K527 VanDerWaalsContact O-N 3.1Å; K527-I530 PolarHBondContact O-N 2.83Å; K527-K531 VanDerWaalsContact O-CB 3.27Å; K527-K531 WeakPolarHBondContact O-CB 3.4Å; K527-K531 PolarHBondContact O-N 2.87Å; K527-I544 HydrophobicContact CG-CD1 4.29Å |
| 528 | D | 96 | Very high | 94.7 | Very high | 92 Ų | 92 | 89.6 Ų | 89.6 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.5 | -35.9 | 174.7 | -76.4 | -27.8 | 0 | 0 | 0 | 111.8 | A524 K531 T532 | A524-D528 WeakPolarHBondContact O-CB 3.5Å; A524-D528 PolarHBondContact O-N 2.96Å; D528-K531 PolarHBondContact O-N 3.45Å; D528-T532 WeakPolarHBondContact O-CB 3.47Å; D528-T532 PolarHBondContact O-N 3.43Å; D528-T532 PolarHBondContact O-OG1 2.93Å |
| 529 | F | 96.1 | Very high | 94.7 | Very high | 124 Ų | 124 | 85.7 Ų | 85.7 | 54% | 0.544 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.8 | -51.2 | 170 | 178 | -91.3 | 0 | 0 | 0 | 111.6 | S525 V526 K531 T532 H533 | S525-F529 VanDerWaalsContact O-CB 3.3Å; S525-F529 WeakPolarHBondContact O-CB 3.39Å; S525-F529 PolarHBondContact O-N 3.12Å; V526-F529 PolarHBondContact O-N 3.34Å; F529-K531 VanDerWaalsContact C-N 3.29Å; F529-K531 PolarHBondContact O-N 2.92Å; F529-T532 PolarHBondContact O-N 3.34Å; F529-H533 AromaticContact CD2-CD2 3.44Å; F529-H533 VanDerWaalsContact CD2-CD2 3.44Å; F529-H533 WeakPolarHBondContact CD2-CD2 3.46Å; F529-H533 AromaticContact CD2-NE2 3.74Å; F529-H533 AromaticContact CE2-CD2 3.32Å; F529-H533 WeakPolarHBondContact CE2-CD2 3.46Å; F529-H533 AromaticContact CE2-NE2 3.47Å; F529-H533 WeakPolarHBondContact CE2-NE2 3.23Å; F529-H533 AromaticContact CG-CD2 3.95Å; F529-H533 AromaticContact CZ-CD2 3.74Å; F529-H533 PolarHBondContact O-CD2 3.3Å; F529-H533 PolarHBondContact O-N 3.42Å |
| 530 | I | 96.4 | Very high | 94.7 | Very high | 23 Ų | 23 | 84 Ų | 84 | 12% | 0.118 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -52.6 | -47.6 | 175.6 | -79.7 | 166.3 | 0 | 0 | 0 | 111.1 | V526 K527 S534 V535 A540 V543 I544 | V526-I530 HydrophobicContact CG1-CD1 3.89Å; V526-I530 WeakPolarHBondContact O-CB 3.26Å; V526-I530 VanDerWaalsContact O-CG1 3.32Å; V526-I530 WeakPolarHBondContact O-CG1 3.36Å; V526-I530 PolarHBondContact O-N 3.39Å; K527-I530 PolarHBondContact O-N 2.83Å; I530-S534 PolarHBondContact O-N 2.92Å; I530-S534 VanDerWaalsContact O-N 3.14Å; I530-V535 HydrophobicContact CG1-CB 4.46Å; I530-V535 HydrophobicContact CG1-CG2 4.48Å; I530-V535 HydrophobicContact CG2-CB 4.3Å; I530-V535 PolarHBondContact O-N 3.45Å; I530-A540 HydrophobicContact CD1-CB 4.11Å; I530-A540 HydrophobicContact CG1-CB 4.32Å; I530-A540 HydrophobicContact CG2-CB 3.59Å; I530-V543 HydrophobicContact CD1-CB 4.39Å; I530-V543 HydrophobicContact CD1-CG1 4.13Å; I530-I544 HydrophobicContact CD1-CD1 4.15Å; I530-I544 HydrophobicContact CD1-CG1 3.98Å |
| 531 | K | 95.2 | Very high | 94.6 | Very high | 160 Ų | 160 | 84.8 Ų | 84.8 | 70% | 0.696 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.7 | -45 | 179.7 | -175.7 | -177.6 | 177.9 | -173 | 0 | 112.3 | K527 D528 F529 S534 | K527-K531 VanDerWaalsContact O-CB 3.27Å; K527-K531 WeakPolarHBondContact O-CB 3.4Å; K527-K531 PolarHBondContact O-N 2.87Å; D528-K531 PolarHBondContact O-N 3.45Å; F529-K531 VanDerWaalsContact C-N 3.29Å; F529-K531 PolarHBondContact O-N 2.92Å; K531-S534 PolarHBondContact O-N 2.97Å |
| 532 | T | 96.2 | Very high | 94.3 | Very high | 107 Ų | 107 | 86 Ų | 86 | 66% | 0.656 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | -178.5 | -61 | 0 | 0 | 0 | 0 | 111.7 | D528 F529 S534 | D528-T532 WeakPolarHBondContact O-CB 3.47Å; D528-T532 PolarHBondContact O-N 3.43Å; D528-T532 PolarHBondContact O-OG1 2.93Å; F529-T532 PolarHBondContact O-N 3.34Å; T532-S534 VanDerWaalsContact C-N 3.35Å |
| 533 | H | 95.7 | Very high | 94.2 | Very high | 120 Ų | 120 | 85.2 Ų | 85.2 | 56% | 0.556 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 3.7 | 179.2 | -68.4 | -73.8 | 0 | 0 | 0 | 114.1 | F529 V535 | F529-H533 AromaticContact CD2-CD2 3.44Å; F529-H533 VanDerWaalsContact CD2-CD2 3.44Å; F529-H533 WeakPolarHBondContact CD2-CD2 3.46Å; F529-H533 AromaticContact CD2-NE2 3.74Å; F529-H533 AromaticContact CE2-CD2 3.32Å; F529-H533 WeakPolarHBondContact CE2-CD2 3.46Å; F529-H533 AromaticContact CE2-NE2 3.47Å; F529-H533 WeakPolarHBondContact CE2-NE2 3.23Å; F529-H533 AromaticContact CG-CD2 3.95Å; F529-H533 AromaticContact CZ-CD2 3.74Å; F529-H533 PolarHBondContact O-CD2 3.3Å; F529-H533 PolarHBondContact O-N 3.42Å; H533-V535 VanDerWaalsContact C-N 3.26Å; H533-V535 HydrophobicContact CB-CG2 4.08Å; H533-V535 PolarHBondContact O-N 2.94Å |
| 534 | S | 94.7 | Very high | 94.1 | Very high | 105 Ų | 105 | 86.5 Ų | 86.5 | 73% | 0.734 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 43.7 | -178.9 | -59.5 | 0 | 0 | 0 | 0 | 113.1 | I530 K531 T532 | I530-S534 PolarHBondContact O-N 2.92Å; I530-S534 VanDerWaalsContact O-N 3.14Å; K531-S534 PolarHBondContact O-N 2.97Å; T532-S534 VanDerWaalsContact C-N 3.35Å |
| 535 | V | 94.9 | Very high | 93.8 | Very high | 33 Ų | 33 | 88.9 Ų | 88.9 | 20% | 0.2 | 46% | 0.46 | C | S | . | . | trans | -61.5 | 133.3 | -176.5 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | I530 H533 L539 A540 | I530-V535 HydrophobicContact CG1-CB 4.46Å; I530-V535 HydrophobicContact CG1-CG2 4.48Å; I530-V535 HydrophobicContact CG2-CB 4.3Å; I530-V535 PolarHBondContact O-N 3.45Å; H533-V535 VanDerWaalsContact C-N 3.26Å; H533-V535 HydrophobicContact CB-CG2 4.08Å; H533-V535 PolarHBondContact O-N 2.94Å; V535-L539 HydrophobicContact CG1-CB 3.97Å; V535-L539 HydrophobicContact CG1-CD2 3.96Å; V535-L539 HydrophobicContact CG1-CG 3.87Å; V535-A540 HydrophobicContact CG1-CB 4.27Å | ||
| 536 | P | 96 | Very high | 93.3 | Very high | 83 Ų | 83 | 90.3 Ų | 90.3 | 54% | 0.539 | 45% | 0.454 | S | S | . | . | trans | -55.1 | 142.1 | 177.5 | -26.6 | 35.1 | 0 | 0 | 0 | 112.3 | D538 L539 A540 | P536-D538 VanDerWaalsContact C-N 3.32Å; P536-D538 PolarHBondContact O-N 3.42Å; P536-L539 PolarHBondContact O-N 3.38Å; P536-A540 PolarHBondContact O-N 3.34Å | ||
| 537 | K | 93.9 | Very high | 93 | Very high | 160 Ų | 160 | 90 Ų | 90 | 70% | 0.696 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -51.8 | -48.4 | -174 | -69.3 | -171.6 | 176.2 | -173.1 | 0 | 112.8 | L539 A540 E541 | K537-L539 PolarHBondContact O-N 3.21Å; K537-L539 VanDerWaalsContact O-N 3.17Å; K537-A540 WeakPolarHBondContact O-CB 3.33Å; K537-A540 PolarHBondContact O-N 3.44Å; K537-E541 WeakPolarHBondContact O-CG 3.32Å; K537-E541 PolarHBondContact O-N 2.89Å |
| 538 | D | 90.2 | Very high | 92.7 | Very high | 127 Ų | 127 | 87.3 Ų | 87.3 | 68% | 0.679 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.1 | -29.4 | -178.1 | -31.2 | -38.3 | 0 | 0 | 0 | 112.9 | P536 R542 | P536-D538 VanDerWaalsContact C-N 3.32Å; P536-D538 PolarHBondContact O-N 3.42Å; D538-R542 WeakPolarHBondContact O-CD 3.2Å; D538-R542 VanDerWaalsContact O-CG 3.29Å; D538-R542 WeakPolarHBondContact O-CG 3.39Å |
| 539 | L | 90.8 | Very high | 92.2 | Very high | 89 Ų | 89 | 83.9 Ų | 83.9 | 47% | 0.466 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -86.9 | -35.6 | 174 | -179.1 | 58 | 0 | 0 | 0 | 111.7 | V535 P536 K537 V543 | V535-L539 HydrophobicContact CG1-CB 3.97Å; V535-L539 HydrophobicContact CG1-CD2 3.96Å; V535-L539 HydrophobicContact CG1-CG 3.87Å; P536-L539 PolarHBondContact O-N 3.38Å; K537-L539 PolarHBondContact O-N 3.21Å; K537-L539 VanDerWaalsContact O-N 3.17Å; L539-V543 HydrophobicContact CD1-CG2 4.22Å; L539-V543 HydrophobicContact CG-CG2 4.5Å; L539-V543 WeakPolarHBondContact O-CB 3.21Å; L539-V543 VanDerWaalsContact O-CG2 3.26Å; L539-V543 WeakPolarHBondContact O-CG2 3.19Å; L539-V543 PolarHBondContact O-N 2.98Å |
| 540 | A | 93 | Very high | 91.6 | Very high | 10 Ų | 10 | 79.8 Ų | 79.8 | 8% | 0.083 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I530 V535 P536 K537 V543 I544 | I530-A540 HydrophobicContact CD1-CB 4.11Å; I530-A540 HydrophobicContact CG1-CB 4.32Å; I530-A540 HydrophobicContact CG2-CB 3.59Å; V535-A540 HydrophobicContact CG1-CB 4.27Å; P536-A540 PolarHBondContact O-N 3.34Å; K537-A540 WeakPolarHBondContact O-CB 3.33Å; K537-A540 PolarHBondContact O-N 3.44Å; A540-V543 PolarHBondContact O-N 2.95Å; A540-I544 WeakPolarHBondContact O-CD1 3.33Å; A540-I544 VanDerWaalsContact O-CG1 3.29Å; A540-I544 WeakPolarHBondContact O-CG1 3.49Å; A540-I544 PolarHBondContact O-N 2.93Å |
| 541 | E | 91.1 | Very high | 91.3 | Very high | 118 Ų | 118 | 81.4 Ų | 81.4 | 55% | 0.551 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.5 | -50.5 | 175.7 | -72.6 | 169.2 | -164.1 | 0 | 0 | 110.1 | K537 V543 I544 D545 | K537-E541 WeakPolarHBondContact O-CG 3.32Å; K537-E541 PolarHBondContact O-N 2.89Å; E541-V543 VanDerWaalsContact C-N 3.33Å; E541-V543 PolarHBondContact O-N 2.75Å; E541-I544 PolarHBondContact O-N 3.33Å; E541-D545 PolarHBondContact O-N 2.87Å |
| 542 | R | 88.2 | Confident | 90.9 | Very high | 111 Ų | 111 | 76.1 Ų | 76.1 | 42% | 0.419 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.5 | -39.1 | 174.7 | -74.8 | 179.1 | 64.3 | -170.1 | -0.7 | 114.2 | D538 Y546 D613 | D538-R542 WeakPolarHBondContact O-CD 3.2Å; D538-R542 VanDerWaalsContact O-CG 3.29Å; D538-R542 WeakPolarHBondContact O-CG 3.39Å; R542-Y546 VanDerWaalsContact O-CB 3.25Å; R542-Y546 WeakPolarHBondContact O-CB 3.35Å; R542-Y546 PolarHBondContact O-N 3.4Å; R542-D613 IonicContact CZ-OD1 2.81Å; R542-D613 IonicContact NE-OD1 2.85Å; R542-D613 IonicContact NH2-OD1 3.19Å; R542-D613 PolarHBondContact NH2-OD1 3.33Å |
| 543 | V | 91.2 | Very high | 90.2 | Very high | 52 Ų | 52 | 75.3 Ų | 75.3 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 176 | 167 | 0 | 0 | 0 | 0 | 111.3 | V526 I530 L539 A540 E541 V547 | V526-V543 HydrophobicContact CG1-CG1 3.87Å; I530-V543 HydrophobicContact CD1-CB 4.39Å; I530-V543 HydrophobicContact CD1-CG1 4.13Å; L539-V543 HydrophobicContact CD1-CG2 4.22Å; L539-V543 HydrophobicContact CG-CG2 4.5Å; L539-V543 WeakPolarHBondContact O-CB 3.21Å; L539-V543 VanDerWaalsContact O-CG2 3.26Å; L539-V543 WeakPolarHBondContact O-CG2 3.19Å; L539-V543 PolarHBondContact O-N 2.98Å; A540-V543 PolarHBondContact O-N 2.95Å; E541-V543 VanDerWaalsContact C-N 3.33Å; E541-V543 PolarHBondContact O-N 2.75Å; V543-V547 WeakPolarHBondContact O-CB 3.35Å; V543-V547 VanDerWaalsContact O-CG2 3.26Å; V543-V547 WeakPolarHBondContact O-CG2 3.5Å; V543-V547 PolarHBondContact O-N 3.25Å |
| 544 | I | 92.3 | Very high | 89.7 | Confident | 41 Ų | 41 | 72 Ų | 72 | 21% | 0.21 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 175.5 | -71 | 164.9 | 0 | 0 | 0 | 110.3 | M523 K527 I530 A540 E541 V547 T548 | M523-I544 HydrophobicContact CE-CG2 4.23Å; M523-I544 HydrophobicContact SD-CG1 4.39Å; M523-I544 HydrophobicContact SD-CG2 4.29Å; K527-I544 HydrophobicContact CG-CD1 4.29Å; I530-I544 HydrophobicContact CD1-CD1 4.15Å; I530-I544 HydrophobicContact CD1-CG1 3.98Å; A540-I544 WeakPolarHBondContact O-CD1 3.33Å; A540-I544 VanDerWaalsContact O-CG1 3.29Å; A540-I544 WeakPolarHBondContact O-CG1 3.49Å; A540-I544 PolarHBondContact O-N 2.93Å; E541-I544 PolarHBondContact O-N 3.33Å; I544-V547 PolarHBondContact O-N 2.98Å; I544-T548 WeakPolarHBondContact O-CB 3.36Å; I544-T548 PolarHBondContact O-N 3.28Å; I544-T548 PolarHBondContact O-OG1 3.25Å |
| 545 | D | 88.4 | Confident | 89.3 | Confident | 95 Ų | 95 | 73.6 Ų | 73.6 | 51% | 0.508 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 178.6 | -70.5 | -17.2 | 0 | 0 | 0 | 112.1 | E541 T548 S549 | E541-D545 PolarHBondContact O-N 2.87Å; D545-T548 PolarHBondContact O-N 2.89Å; D545-S549 VanDerWaalsContact O-CB 3.26Å; D545-S549 WeakPolarHBondContact O-CB 3.26Å; D545-S549 PolarHBondContact O-N 3.04Å; D545-S549 PolarHBondContact O-OG 3.43Å |
| 546 | Y | 86.1 | Confident | 88.7 | Confident | 110 Ų | 110 | 73.7 Ų | 73.7 | 43% | 0.431 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 172.8 | 173.6 | -97.2 | 0 | 0 | 0 | 111.7 | R542 S549 T550 | R542-Y546 VanDerWaalsContact O-CB 3.25Å; R542-Y546 WeakPolarHBondContact O-CB 3.35Å; R542-Y546 PolarHBondContact O-N 3.4Å; Y546-S549 PolarHBondContact O-OG 2.93Å; Y546-T550 WeakPolarHBondContact O-CB 3.3Å; Y546-T550 PolarHBondContact O-N 3.19Å; Y546-T550 PolarHBondContact O-OG1 3.22Å |
| 547 | V | 89.8 | Confident | 88.3 | Confident | 22 Ų | 22 | 74.5 Ų | 74.5 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 179 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | M522 M523 V526 V543 I544 W551 | M522-V547 HydrophobicContact CE-CG1 3.6Å; M523-V547 HydrophobicContact CE-CB 4.22Å; M523-V547 HydrophobicContact CE-CG1 3.77Å; V526-V547 HydrophobicContact CG2-CG2 4.42Å; V543-V547 WeakPolarHBondContact O-CB 3.35Å; V543-V547 VanDerWaalsContact O-CG2 3.26Å; V543-V547 WeakPolarHBondContact O-CG2 3.5Å; V543-V547 PolarHBondContact O-N 3.25Å; I544-V547 PolarHBondContact O-N 2.98Å; V547-W551 VanDerWaalsContact O-CB 3.26Å; V547-W551 WeakPolarHBondContact O-CB 3.25Å; V547-W551 PolarHBondContact O-N 3.42Å |
| 548 | T | 90.6 | Very high | 87.9 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 31% | 0.313 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.5 | -44.4 | 179.7 | -68.5 | 0 | 0 | 0 | 0 | 112.3 | Y519 M523 I544 D545 W551 A552 | Y519-T548 PolarHBondContact OH-OG1 3.27Å; M523-T548 VanDerWaalsContact CE-OG1 3.3Å; M523-T548 WeakPolarHBondContact CE-OG1 3.18Å; I544-T548 WeakPolarHBondContact O-CB 3.36Å; I544-T548 PolarHBondContact O-N 3.28Å; I544-T548 PolarHBondContact O-OG1 3.25Å; D545-T548 PolarHBondContact O-N 2.89Å; T548-W551 PolarHBondContact O-N 3Å; T548-A552 VanDerWaalsContact O-CB 3.28Å; T548-A552 WeakPolarHBondContact O-CB 3.45Å; T548-A552 PolarHBondContact O-N 3.22Å |
| 549 | S | 84.6 | Confident | 87.8 | Confident | 20 Ų | 20 | 69.5 Ų | 69.5 | 14% | 0.14 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 175.6 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | D545 Y546 W551 A552 I553 | D545-S549 VanDerWaalsContact O-CB 3.26Å; D545-S549 WeakPolarHBondContact O-CB 3.26Å; D545-S549 PolarHBondContact O-N 3.04Å; D545-S549 PolarHBondContact O-OG 3.43Å; Y546-S549 PolarHBondContact O-OG 2.93Å; S549-W551 VanDerWaalsContact C-N 3.31Å; S549-W551 PolarHBondContact O-N 2.73Å; S549-A552 PolarHBondContact O-N 2.94Å; S549-A552 VanDerWaalsContact O-N 3.15Å; S549-I553 WeakPolarHBondContact O-CG1 3.49Å; S549-I553 PolarHBondContact O-N 3.1Å |
| 550 | T | 85.4 | Confident | 87.6 | Confident | 39 Ų | 39 | 68 Ų | 68 | 24% | 0.239 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 175.2 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | Y546 T554 | Y546-T550 WeakPolarHBondContact O-CB 3.3Å; Y546-T550 PolarHBondContact O-N 3.19Å; Y546-T550 PolarHBondContact O-OG1 3.22Å; T550-T554 HydrophobicContact CG2-CG2 4.18Å; T550-T554 WeakPolarHBondContact O-CB 3.49Å; T550-T554 WeakPolarHBondContact O-CG2 3.41Å; T550-T554 PolarHBondContact O-N 3.03Å; T550-T554 PolarHBondContact O-OG1 2.97Å |
| 551 | W | 89.1 | Confident | 87.4 | Confident | 57 Ų | 57 | 73 Ų | 73 | 22% | 0.216 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.8 | -40.4 | 174.4 | -173 | -86.7 | 0 | 0 | 0 | 112.8 | T515 R518 Y519 M522 V547 T548 S549 I553 K555 G556 | T515-W551 HydrophobicContact CG2-CZ2 3.99Å; T515-W551 WeakPolarHBondContact O-CZ2 2.99Å; R518-W551 HydrophobicContact CB-CH2 4.33Å; Y519-W551 HydrophobicContact CD2-CB 3.99Å; Y519-W551 AromaticContact CD2-CD1 3.54Å; Y519-W551 AromaticContact CD2-CD2 3.53Å; Y519-W551 HydrophobicContact CD2-CD2 3.53Å; Y519-W551 AromaticContact CD2-CE2 3.79Å; Y519-W551 HydrophobicContact CD2-CE3 4.14Å; Y519-W551 AromaticContact CD2-CG 3.4Å; Y519-W551 HydrophobicContact CD2-CG 3.4Å; Y519-W551 VanDerWaalsContact CD2-CG 3.4Å; Y519-W551 AromaticContact CD2-NE1 3.77Å; Y519-W551 HydrophobicContact CE2-CB 3.9Å; Y519-W551 AromaticContact CE2-CD1 3.93Å; Y519-W551 HydrophobicContact CE2-CD2 4.35Å; Y519-W551 AromaticContact CE2-CG 3.78Å; Y519-W551 HydrophobicContact CE2-CG 3.78Å; Y519-W551 HydrophobicContact CG-CD2 4.25Å; Y519-W551 HydrophobicContact CG-CG 4.31Å; Y519-W551 AromaticContact CG-NE1 3.92Å; M522-W551 HydrophobicContact CE-CD2 4.35Å; M522-W551 HydrophobicContact CE-CE3 3.58Å; M522-W551 HydrophobicContact CE-CZ3 4.04Å; M522-W551 HydrophobicContact SD-CE3 4.46Å; V547-W551 VanDerWaalsContact O-CB 3.26Å; V547-W551 WeakPolarHBondContact O-CB 3.25Å; V547-W551 PolarHBondContact O-N 3.42Å; T548-W551 PolarHBondContact O-N 3Å; S549-W551 VanDerWaalsContact C-N 3.31Å; S549-W551 PolarHBondContact O-N 2.73Å; W551-I553 PolarHBondContact O-N 3.46Å; W551-K555 WeakPolarHBondContact O-CA 3.42Å; W551-K555 PolarHBondContact O-N 3.04Å; W551-G556 VanDerWaalsContact CZ3-CA 3.45Å |
| 552 | A | 86.7 | Confident | 87.4 | Confident | 49 Ų | 49 | 70.8 Ų | 70.8 | 41% | 0.405 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.7 | -30.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T548 S549 K555 | T548-A552 VanDerWaalsContact O-CB 3.28Å; T548-A552 WeakPolarHBondContact O-CB 3.45Å; T548-A552 PolarHBondContact O-N 3.22Å; S549-A552 PolarHBondContact O-N 2.94Å; S549-A552 VanDerWaalsContact O-N 3.15Å; A552-K555 WeakPolarHBondContact O-CD 3.44Å; A552-K555 VanDerWaalsContact O-CE 3.23Å; A552-K555 WeakPolarHBondContact O-CE 3.49Å; A552-K555 PolarHBondContact O-NZ 3.19Å |
| 553 | I | 82.1 | Confident | 87.5 | Confident | 89 Ų | 89 | 66.7 Ų | 66.7 | 46% | 0.456 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -90.6 | -49 | -178.5 | -65.5 | 168.9 | 0 | 0 | 0 | 111.4 | S549 W551 K555 H608 | S549-I553 WeakPolarHBondContact O-CG1 3.49Å; S549-I553 PolarHBondContact O-N 3.1Å; W551-I553 PolarHBondContact O-N 3.46Å; I553-K555 VanDerWaalsContact C-N 3.29Å; I553-K555 PolarHBondContact O-N 3.44Å; I553-H608 VanDerWaalsContact CD1-CD2 3.43Å; I553-H608 WeakPolarHBondContact CD1-CD2 3.43Å |
| 554 | T | 85.5 | Confident | 87.5 | Confident | 52 Ų | 52 | 69.4 Ų | 69.4 | 32% | 0.319 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74.8 | -15.6 | 178.8 | 61 | 0 | 0 | 0 | 0 | 114 | T550 G556 I557 | T550-T554 HydrophobicContact CG2-CG2 4.18Å; T550-T554 WeakPolarHBondContact O-CB 3.49Å; T550-T554 WeakPolarHBondContact O-CG2 3.41Å; T550-T554 PolarHBondContact O-N 3.03Å; T550-T554 PolarHBondContact O-OG1 2.97Å; T554-G556 PolarHBondContact O-N 2.98Å; T554-G556 VanDerWaalsContact O-N 3.1Å; T554-G556 PolarHBondContact OG1-N 3.29Å; T554-I557 VanDerWaalsContact O-CB 3.31Å; T554-I557 WeakPolarHBondContact O-CB 3.39Å; T554-I557 WeakPolarHBondContact O-CG1 3.3Å; T554-I557 PolarHBondContact O-N 3.43Å |
| 555 | K | 84.5 | Confident | 87.4 | Confident | 137 Ų | 137 | 73 Ų | 73 | 60% | 0.596 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 22.7 | -169 | -49.8 | -58 | -176.4 | -167.6 | 0 | 113.8 | W551 A552 I553 | W551-K555 WeakPolarHBondContact O-CA 3.42Å; W551-K555 PolarHBondContact O-N 3.04Å; A552-K555 WeakPolarHBondContact O-CD 3.44Å; A552-K555 VanDerWaalsContact O-CE 3.23Å; A552-K555 WeakPolarHBondContact O-CE 3.49Å; A552-K555 PolarHBondContact O-NZ 3.19Å; I553-K555 VanDerWaalsContact C-N 3.29Å; I553-K555 PolarHBondContact O-N 3.44Å |
| 556 | G | 82.4 | Confident | 87.5 | Confident | 35 Ų | 35 | 69.5 Ų | 69.5 | 36% | 0.361 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 16.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | W551 T554 | W551-G556 VanDerWaalsContact CZ3-CA 3.45Å; T554-G556 PolarHBondContact O-N 2.98Å; T554-G556 VanDerWaalsContact O-N 3.1Å; T554-G556 PolarHBondContact OG1-N 3.29Å |
| 557 | I | 88.2 | Confident | 87.8 | Confident | 100 Ų | 100 | 68.4 Ų | 68.4 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | trans | -88.4 | 118.3 | 178.3 | -57.4 | 173.6 | 0 | 0 | 0 | 110.5 | T554 T559 V562 | T554-I557 VanDerWaalsContact O-CB 3.31Å; T554-I557 WeakPolarHBondContact O-CB 3.39Å; T554-I557 WeakPolarHBondContact O-CG1 3.3Å; T554-I557 PolarHBondContact O-N 3.43Å; I557-T559 PolarHBondContact O-N 2.91Å; I557-V562 HydrophobicContact CG2-CG2 3.8Å | ||
| 558 | D | 86.8 | Confident | 87.9 | Confident | 91 Ų | 91 | 76.4 Ų | 76.4 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | trans | -73.2 | 101.4 | 166.7 | 177 | -12 | 0 | 0 | 0 | 109.8 | A560 K561 V562 | D558-A560 PolarHBondContact OD1-N 3.04Å; D558-K561 HydrophobicContact CB-CB 3.86Å; D558-K561 PolarHBondContact O-N 3.36Å; D558-K561 WeakPolarHBondContact OD1-CB 3.12Å; D558-K561 PolarHBondContact OD1-N 3.12Å; D558-K561 WeakPolarHBondContact OD2-CB 3.34Å; D558-V562 WeakPolarHBondContact O-CG2 3.49Å; D558-V562 PolarHBondContact O-N 2.88Å | ||
| 559 | T | 87.2 | Confident | 87.8 | Confident | 92 Ų | 92 | 79 Ų | 79 | 56% | 0.564 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.1 | -39.3 | -176.9 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | I557 V562 L563 | I557-T559 PolarHBondContact O-N 2.91Å; T559-V562 PolarHBondContact O-N 3.17Å; T559-L563 WeakPolarHBondContact O-CB 3.32Å; T559-L563 WeakPolarHBondContact O-CD1 3.49Å; T559-L563 VanDerWaalsContact O-CG 3.26Å; T559-L563 WeakPolarHBondContact O-CG 3.47Å; T559-L563 PolarHBondContact O-N 3.38Å |
| 560 | A | 87 | Confident | 88.2 | Confident | 56 Ų | 56 | 83.1 Ų | 83.1 | 46% | 0.463 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D558 N564 | D558-A560 PolarHBondContact OD1-N 3.04Å; A560-N564 VanDerWaalsContact O-CG 3.23Å; A560-N564 PolarHBondContact O-N 3.36Å; A560-N564 PolarHBondContact O-ND2 3.23Å |
| 561 | K | 89.3 | Confident | 88.5 | Confident | 116 Ų | 116 | 83.5 Ų | 83.5 | 50% | 0.504 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.2 | -52 | 172.8 | 179.5 | 171.8 | -176.6 | 173.6 | 0 | 111.6 | D558 L563 N564 Y565 | D558-K561 HydrophobicContact CB-CB 3.86Å; D558-K561 PolarHBondContact O-N 3.36Å; D558-K561 WeakPolarHBondContact OD1-CB 3.12Å; D558-K561 PolarHBondContact OD1-N 3.12Å; D558-K561 WeakPolarHBondContact OD2-CB 3.34Å; K561-L563 VanDerWaalsContact C-N 3.32Å; K561-L563 PolarHBondContact O-N 3.04Å; K561-N564 WeakPolarHBondContact O-CB 3.39Å; K561-N564 PolarHBondContact O-N 2.62Å; K561-Y565 HydrophobicContact CG-CE2 3.89Å; K561-Y565 VanDerWaalsContact O-CD2 3.25Å; K561-Y565 WeakPolarHBondContact O-CD2 3.45Å |
| 562 | V | 90.6 | Very high | 88.7 | Confident | 72 Ų | 72 | 81.1 Ų | 81.1 | 44% | 0.436 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57 | -45.4 | 179 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | I557 D558 T559 N564 Y565 | I557-V562 HydrophobicContact CG2-CG2 3.8Å; D558-V562 WeakPolarHBondContact O-CG2 3.49Å; D558-V562 PolarHBondContact O-N 2.88Å; T559-V562 PolarHBondContact O-N 3.17Å; V562-N564 PolarHBondContact O-N 3.07Å; V562-N564 VanDerWaalsContact O-N 3.12Å; V562-Y565 PolarHBondContact O-N 3.26Å |
| 563 | L | 90 | Very high | 89.1 | Confident | 24 Ų | 24 | 81.3 Ų | 81.3 | 13% | 0.126 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.4 | -21.7 | 177.4 | -76.5 | 166.7 | 0 | 0 | 0 | 113.8 | T559 K561 K571 L574 | T559-L563 WeakPolarHBondContact O-CB 3.32Å; T559-L563 WeakPolarHBondContact O-CD1 3.49Å; T559-L563 VanDerWaalsContact O-CG 3.26Å; T559-L563 WeakPolarHBondContact O-CG 3.47Å; T559-L563 PolarHBondContact O-N 3.38Å; K561-L563 VanDerWaalsContact C-N 3.32Å; K561-L563 PolarHBondContact O-N 3.04Å; L563-K571 HydrophobicContact CB-CG 4.36Å; L563-K571 HydrophobicContact CD2-CG 4.18Å; L563-K571 VanDerWaalsContact O-CD 3.31Å; L563-K571 WeakPolarHBondContact O-CD 3.44Å; L563-L574 HydrophobicContact CD2-CB 4.31Å; L563-L574 HydrophobicContact CD2-CD2 3.73Å; L563-L574 HydrophobicContact CD2-CG 3.97Å |
| 564 | N | 90.6 | Very high | 89.6 | Confident | 109 Ų | 109 | 79.9 Ų | 79.9 | 58% | 0.583 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -87.3 | -10.1 | 177.3 | -69.1 | -21 | 0 | 0 | 0 | 114 | A560 K561 V562 C566 K571 | A560-N564 VanDerWaalsContact O-CG 3.23Å; A560-N564 PolarHBondContact O-N 3.36Å; A560-N564 PolarHBondContact O-ND2 3.23Å; K561-N564 WeakPolarHBondContact O-CB 3.39Å; K561-N564 PolarHBondContact O-N 2.62Å; V562-N564 PolarHBondContact O-N 3.07Å; V562-N564 VanDerWaalsContact O-N 3.12Å; N564-C566 VanDerWaalsContact C-N 3.3Å; N564-K571 PolarHBondContact OD1-NZ 3.33Å |
| 565 | Y | 90.4 | Very high | 90 | Very high | 117 Ų | 117 | 77.8 Ų | 77.8 | 46% | 0.459 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -78.1 | -21.7 | 166.6 | -73.3 | -123.3 | 0 | 0 | 0 | 110.9 | K561 V562 Y1219 | K561-Y565 HydrophobicContact CG-CE2 3.89Å; K561-Y565 VanDerWaalsContact O-CD2 3.25Å; K561-Y565 WeakPolarHBondContact O-CD2 3.45Å; V562-Y565 PolarHBondContact O-N 3.26Å; Y565-Y1219 AromaticContact CD1-CE1 3.98Å; Y565-Y1219 HydrophobicContact CD1-CE1 3.98Å; Y565-Y1219 AromaticContact CD1-CZ 3.77Å; Y565-Y1219 WeakPolarHBondContact CD1-OH 3.48Å; Y565-Y1219 HydrophobicContact CE1-CD1 4.1Å; Y565-Y1219 HydrophobicContact CE1-CD2 4.38Å; Y565-Y1219 AromaticContact CE1-CE1 3.39Å; Y565-Y1219 HydrophobicContact CE1-CE1 3.39Å; Y565-Y1219 AromaticContact CE1-CE2 3.74Å; Y565-Y1219 HydrophobicContact CE1-CE2 3.74Å; Y565-Y1219 AromaticContact CE1-CZ 3.2Å; Y565-Y1219 VanDerWaalsContact CE1-OH 3.32Å; Y565-Y1219 WeakPolarHBondContact CE1-OH 3.33Å; Y565-Y1219 HydrophobicContact CE2-CE2 4.11Å; Y565-Y1219 AromaticContact CZ-CE2 3.43Å; Y565-Y1219 VanDerWaalsContact CZ-CE2 3.43Å; Y565-Y1219 AromaticContact CZ-CZ 3.41Å; Y565-Y1219 VanDerWaalsContact CZ-CZ 3.41Å; Y565-Y1219 WeakPolarHBondContact OH-CD2 3.49Å; Y565-Y1219 VanDerWaalsContact OH-CE2 3.22Å; Y565-Y1219 WeakPolarHBondContact OH-CE2 3.47Å |
| 566 | C | 90.4 | Very high | 90.5 | Very high | 22 Ų | 22 | 73.1 Ų | 73.1 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -79.2 | 137.4 | -177.5 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | N564 M570 K571 | N564-C566 VanDerWaalsContact C-N 3.3Å; C566-M570 HydrophobicContact CB-CE 3.8Å; C566-M570 VanDerWaalsContact SG-CE 3.55Å; C566-K571 HydrophobicContact CB-CB 4.09Å |
| 567 | P | 93 | Very high | 91.1 | Very high | 87 Ų | 87 | 76.5 Ų | 76.5 | 57% | 0.565 | 40% | 0.398 | S | S | * | . | trans | -62.5 | 149.7 | 169.5 | 28 | -34.4 | 0 | 0 | 0 | 110.4 | D569 M570 K571 | P567-D569 PolarHBondContact O-N 3.3Å; P567-M570 HydrophobicContact CG-CB 3.95Å; P567-M570 PolarHBondContact O-N 2.89Å; P567-K571 PolarHBondContact O-N 2.9Å | ||
| 568 | K | 91.2 | Very high | 91.3 | Very high | 189 Ų | 189 | 75.4 Ų | 75.4 | 82% | 0.822 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -46.2 | -41 | -169.1 | -178.1 | 178.3 | 177 | 179.9 | 0 | 115.1 | A572 | K568-A572 PolarHBondContact O-N 2.97Å |
| 569 | D | 89.7 | Confident | 91.6 | Very high | 107 Ų | 107 | 71.2 Ų | 71.2 | 57% | 0.572 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -72.7 | -44.3 | -178.7 | -166.8 | 41.1 | 0 | 0 | 0 | 112.2 | P567 K571 A572 D573 R598 | P567-D569 PolarHBondContact O-N 3.3Å; D569-K571 VanDerWaalsContact C-N 3.32Å; D569-K571 PolarHBondContact O-N 2.92Å; D569-A572 PolarHBondContact O-N 2.82Å; D569-A572 VanDerWaalsContact O-N 3.13Å; D569-D573 PolarHBondContact O-N 2.83Å; D569-R598 IonicContact OD1-CZ 2.67Å; D569-R598 IonicContact OD1-NH1 3.58Å; D569-R598 PolarHBondContact OD1-NH1 3.4Å |
| 570 | M | 91.7 | Very high | 91.9 | Very high | 105 Ų | 105 | 72 Ų | 72 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.5 | -34.9 | 173.6 | -165.7 | 175.6 | 90.7 | 0 | 0 | 112 | C566 P567 D573 L574 | C566-M570 HydrophobicContact CB-CE 3.8Å; C566-M570 VanDerWaalsContact SG-CE 3.55Å; P567-M570 HydrophobicContact CG-CB 3.95Å; P567-M570 PolarHBondContact O-N 2.89Å; M570-D573 PolarHBondContact O-N 2.9Å; M570-L574 WeakPolarHBondContact O-CB 3.44Å; M570-L574 PolarHBondContact O-N 3.4Å |
| 571 | K | 93.1 | Very high | 92.2 | Very high | 48 Ų | 48 | 71.7 Ų | 71.7 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 170.4 | -175.7 | 178.5 | -179.2 | 165.1 | 0 | 110.6 | L563 N564 C566 P567 D569 L574 C575 | L563-K571 HydrophobicContact CB-CG 4.36Å; L563-K571 HydrophobicContact CD2-CG 4.18Å; L563-K571 VanDerWaalsContact O-CD 3.31Å; L563-K571 WeakPolarHBondContact O-CD 3.44Å; N564-K571 PolarHBondContact OD1-NZ 3.33Å; C566-K571 HydrophobicContact CB-CB 4.09Å; P567-K571 PolarHBondContact O-N 2.9Å; D569-K571 VanDerWaalsContact C-N 3.32Å; D569-K571 PolarHBondContact O-N 2.92Å; K571-L574 PolarHBondContact O-N 2.96Å; K571-C575 WeakPolarHBondContact O-CB 3.42Å; K571-C575 PolarHBondContact O-N 2.79Å; K571-C575 PolarHBondContact O-SG 3.16Å |
| 572 | A | 93.2 | Very high | 92.4 | Very high | 6 Ų | 6 | 66.1 Ų | 66.1 | 5% | 0.05 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.9 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K568 D569 L574 C575 I576 R598 V602 | K568-A572 PolarHBondContact O-N 2.97Å; D569-A572 PolarHBondContact O-N 2.82Å; D569-A572 VanDerWaalsContact O-N 3.13Å; A572-L574 PolarHBondContact O-N 2.59Å; A572-C575 PolarHBondContact O-N 2.87Å; A572-I576 WeakPolarHBondContact O-CG1 3.37Å; A572-I576 PolarHBondContact O-N 3.09Å; A572-R598 HydrophobicContact CB-CB 4.03Å; A572-R598 HydrophobicContact CB-CG 3.99Å; A572-V602 HydrophobicContact CB-CG2 4.02Å |
| 573 | D | 93.9 | Very high | 92.6 | Very high | 53 Ų | 53 | 63.3 Ų | 63.3 | 28% | 0.283 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 174.5 | -113.3 | 44.7 | 0 | 0 | 0 | 111.7 | D569 M570 I576 H577 R598 R1141 | D569-D573 PolarHBondContact O-N 2.83Å; M570-D573 PolarHBondContact O-N 2.9Å; D573-I576 PolarHBondContact O-N 3.25Å; D573-H577 PolarHBondContact O-N 3.12Å; D573-R598 IonicContact OD1-CZ 3.72Å; D573-R598 VanDerWaalsContact OD1-CZ 3.25Å; D573-R598 IonicContact OD1-NH1 3.87Å; D573-R598 PolarHBondContact OD1-NH1 2.98Å; D573-R598 IonicContact OD1-NH2 3.81Å; D573-R598 PolarHBondContact OD1-NH2 3.23Å; D573-R1141 IonicContact OD2-NH2 3.13Å; D573-R1141 PolarHBondContact OD2-NH2 2.96Å |
| 574 | L | 93.7 | Very high | 92.6 | Very high | 60 Ų | 60 | 68.6 Ų | 68.6 | 31% | 0.314 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.6 | -41.8 | 177.6 | -177.4 | 53.1 | 0 | 0 | 0 | 111.8 | L563 M570 K571 A572 I576 H577 L578 | L563-L574 HydrophobicContact CD2-CB 4.31Å; L563-L574 HydrophobicContact CD2-CD2 3.73Å; L563-L574 HydrophobicContact CD2-CG 3.97Å; M570-L574 WeakPolarHBondContact O-CB 3.44Å; M570-L574 PolarHBondContact O-N 3.4Å; K571-L574 PolarHBondContact O-N 2.96Å; A572-L574 PolarHBondContact O-N 2.59Å; L574-I576 VanDerWaalsContact C-N 3.31Å; L574-I576 PolarHBondContact O-N 3.32Å; L574-H577 PolarHBondContact O-N 3.28Å; L574-H577 VanDerWaalsContact O-N 3.14Å; L574-L578 WeakPolarHBondContact O-CG 3.12Å; L574-L578 PolarHBondContact O-N 3.26Å |
| 575 | C | 94.3 | Very high | 92.6 | Very high | 8 Ų | 8 | 67 Ų | 67 | 5% | 0.054 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.6 | -37.9 | 172.3 | -72.9 | 0 | 0 | 0 | 0 | 112.2 | K571 A572 L578 N579 A601 V602 | K571-C575 WeakPolarHBondContact O-CB 3.42Å; K571-C575 PolarHBondContact O-N 2.79Å; K571-C575 PolarHBondContact O-SG 3.16Å; A572-C575 PolarHBondContact O-N 2.87Å; C575-L578 PolarHBondContact O-N 2.73Å; C575-N579 WeakPolarHBondContact O-CB 3.37Å; C575-N579 PolarHBondContact O-N 3.23Å; C575-N579 PolarHBondContact O-ND2 3.41Å; C575-A601 HydrophobicContact CB-CB 3.72Å; C575-A601 WeakPolarHBondContact CB-O 3.47Å; C575-V602 HydrophobicContact CB-CG2 4.28Å |
| 576 | I | 94.4 | Very high | 92.7 | Very high | 38 Ų | 38 | 62.1 Ų | 62.1 | 20% | 0.195 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.7 | -42 | 173.4 | -72.9 | 169.4 | 0 | 0 | 0 | 110.4 | A572 D573 L574 N579 R580 F583 L597 R598 A601 | A572-I576 WeakPolarHBondContact O-CG1 3.37Å; A572-I576 PolarHBondContact O-N 3.09Å; D573-I576 PolarHBondContact O-N 3.25Å; L574-I576 VanDerWaalsContact C-N 3.31Å; L574-I576 PolarHBondContact O-N 3.32Å; I576-N579 CarbonylContact O-C 3.57Å; I576-N579 PolarHBondContact O-N 3.01Å; I576-R580 WeakPolarHBondContact O-CA 3.48Å; I576-R580 PolarHBondContact O-N 2.82Å; I576-F583 HydrophobicContact CG1-CE2 4.4Å; I576-L597 HydrophobicContact CD1-CB 4.28Å; I576-R598 HydrophobicContact CD1-CB 4.36Å; I576-R598 HydrophobicContact CD1-CG 3.58Å; I576-A601 HydrophobicContact CG1-CB 3.69Å |
| 577 | H | 94 | Very high | 92.7 | Very high | 107 Ų | 107 | 65.1 Ų | 65.1 | 50% | 0.495 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 178 | -176.7 | 76 | 0 | 0 | 0 | 113 | D573 L574 R580 | D573-H577 PolarHBondContact O-N 3.12Å; L574-H577 PolarHBondContact O-N 3.28Å; L574-H577 VanDerWaalsContact O-N 3.14Å; H577-R580 WeakPolarHBondContact O-CB 3.26Å; H577-R580 VanDerWaalsContact O-CD 3.27Å; H577-R580 WeakPolarHBondContact O-CD 3.42Å; H577-R580 WeakPolarHBondContact O-CG 3.3Å; H577-R580 PolarHBondContact O-N 2.94Å; H577-R580 PolarHBondContact O-NH1 3.39Å |
| 578 | L | 92.4 | Very high | 92.7 | Very high | 77 Ų | 77 | 61 Ų | 61 | 40% | 0.403 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 172.8 | -69.3 | 169.7 | 0 | 0 | 0 | 110.8 | L574 C575 R580 H678 | L574-L578 WeakPolarHBondContact O-CG 3.12Å; L574-L578 PolarHBondContact O-N 3.26Å; C575-L578 PolarHBondContact O-N 2.73Å; L578-R580 PolarHBondContact O-N 2.89Å; L578-H678 PolarHBondContact O-CE1 2.99Å |
| 579 | N | 94.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 10.8 | -178.5 | -68.1 | -71.3 | 0 | 0 | 0 | 114.7 | C575 I576 M581 V582 F583 A601 F604 H678 | C575-N579 WeakPolarHBondContact O-CB 3.37Å; C575-N579 PolarHBondContact O-N 3.23Å; C575-N579 PolarHBondContact O-ND2 3.41Å; I576-N579 CarbonylContact O-C 3.57Å; I576-N579 PolarHBondContact O-N 3.01Å; N579-M581 PolarHBondContact O-N 2.6Å; N579-M581 VanDerWaalsContact O-N 3.13Å; N579-V582 PolarHBondContact O-N 3.43Å; N579-V582 VanDerWaalsContact O-N 3.09Å; N579-F583 HydrophobicContact CB-CD2 3.85Å; N579-F583 HydrophobicContact CB-CE2 3.4Å; N579-F583 HydrophobicContact CB-CZ 3.89Å; N579-F583 WeakPolarHBondContact O-CD2 3.47Å; N579-F583 PolarHBondContact O-N 2.89Å; N579-F583 VanDerWaalsContact O-N 3.12Å; N579-A601 PolarHBondContact ND2-O 2.8Å; N579-F604 VanDerWaalsContact OD1-CB 3.22Å; N579-F604 WeakPolarHBondContact OD1-CB 3.49Å; N579-H678 PolarHBondContact OD1-ND1 3.31Å |
| 580 | R | 93.6 | Very high | 92.9 | Very high | 109 Ų | 109 | 57.5 Ų | 57.5 | 41% | 0.411 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.2 | -32.5 | -172.7 | 71.1 | -173.3 | 178.7 | -79 | -3 | 114 | I576 H577 L578 N584 | I576-R580 WeakPolarHBondContact O-CA 3.48Å; I576-R580 PolarHBondContact O-N 2.82Å; H577-R580 WeakPolarHBondContact O-CB 3.26Å; H577-R580 VanDerWaalsContact O-CD 3.27Å; H577-R580 WeakPolarHBondContact O-CD 3.42Å; H577-R580 WeakPolarHBondContact O-CG 3.3Å; H577-R580 PolarHBondContact O-N 2.94Å; H577-R580 PolarHBondContact O-NH1 3.39Å; L578-R580 PolarHBondContact O-N 2.89Å; R580-N584 VanDerWaalsContact O-CB 3.22Å; R580-N584 WeakPolarHBondContact O-CB 3.45Å; R580-N584 PolarHBondContact O-N 3.38Å; R580-N584 PolarHBondContact O-ND2 3.5Å |
| 581 | M | 91.6 | Very high | 92.9 | Very high | 48 Ų | 48 | 58 Ų | 58 | 24% | 0.236 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.6 | -52.3 | 178.3 | -56.4 | -62.8 | -72.8 | 0 | 0 | 109.2 | N579 F583 N584 E585 V629 | N579-M581 PolarHBondContact O-N 2.6Å; N579-M581 VanDerWaalsContact O-N 3.13Å; M581-F583 PolarHBondContact O-N 2.97Å; M581-N584 PolarHBondContact O-N 3.33Å; M581-E585 WeakPolarHBondContact CE-OE1 3.43Å; M581-E585 VanDerWaalsContact O-CB 3.25Å; M581-E585 WeakPolarHBondContact O-CB 3.28Å; M581-E585 WeakPolarHBondContact O-CG 3.43Å; M581-E585 PolarHBondContact O-N 3.01Å; M581-V629 HydrophobicContact CB-CG1 3.62Å; M581-V629 HydrophobicContact CB-CG2 4.1Å; M581-V629 HydrophobicContact CE-CG1 4.49Å; M581-V629 HydrophobicContact CG-CG1 3.65Å |
| 582 | V | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 178.6 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | N579 N584 H586 F589 F604 F627 V629 H678 | N579-V582 PolarHBondContact O-N 3.43Å; N579-V582 VanDerWaalsContact O-N 3.09Å; V582-N584 PolarHBondContact O-N 3.15Å; V582-H586 PolarHBondContact O-CD2 3.37Å; V582-H586 PolarHBondContact O-N 3.38Å; V582-F589 HydrophobicContact CG1-CD2 4.12Å; V582-F589 HydrophobicContact CG1-CE2 3.48Å; V582-F589 VanDerWaalsContact CG1-CE2 3.48Å; V582-F589 HydrophobicContact CG1-CZ 4.1Å; V582-F589 WeakPolarHBondContact O-CD2 3.45Å; V582-F604 HydrophobicContact CG1-CE1 4.48Å; V582-F604 HydrophobicContact CG1-CZ 4.19Å; V582-F627 HydrophobicContact CG1-CB 4.28Å; V582-F627 HydrophobicContact CG1-CD1 3.81Å; V582-F627 HydrophobicContact CG1-CD2 4.37Å; V582-F627 HydrophobicContact CG1-CE1 4.22Å; V582-F627 HydrophobicContact CG1-CG 3.91Å; V582-F627 HydrophobicContact CG2-CB 4.03Å; V582-V629 HydrophobicContact CG2-CG2 3.66Å; V582-H678 HydrophobicContact CG2-CB 3.53Å |
| 583 | F | 94.4 | Very high | 92.9 | Very high | 12 Ų | 12 | 59.3 Ų | 59.3 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -74.2 | -25.6 | -175.3 | -61.4 | -39.2 | 0 | 0 | 0 | 114.7 | I576 N579 M581 F589 L597 L600 A601 F604 | I576-F583 HydrophobicContact CG1-CE2 4.4Å; N579-F583 HydrophobicContact CB-CD2 3.85Å; N579-F583 HydrophobicContact CB-CE2 3.4Å; N579-F583 HydrophobicContact CB-CZ 3.89Å; N579-F583 WeakPolarHBondContact O-CD2 3.47Å; N579-F583 PolarHBondContact O-N 2.89Å; N579-F583 VanDerWaalsContact O-N 3.12Å; M581-F583 PolarHBondContact O-N 2.97Å; F583-F589 HydrophobicContact CB-CB 4.49Å; F583-F589 HydrophobicContact CD1-CB 4.13Å; F583-F589 AromaticContact CD1-CD1 3.92Å; F583-F589 HydrophobicContact CD1-CD1 3.92Å; F583-F589 HydrophobicContact CD1-CD2 4.07Å; F583-F589 HydrophobicContact CD1-CE1 4.36Å; F583-F589 AromaticContact CD1-CG 3.76Å; F583-F589 HydrophobicContact CD1-CG 3.76Å; F583-F589 HydrophobicContact CE1-CD1 4.15Å; F583-F589 HydrophobicContact CE1-CE1 4.26Å; F583-F589 HydrophobicContact CE1-CG 4.43Å; F583-L597 HydrophobicContact CB-CD2 4.23Å; F583-L597 HydrophobicContact CD1-CD2 3.73Å; F583-L597 HydrophobicContact CD2-CD2 4.34Å; F583-L597 HydrophobicContact CE1-CD2 4.12Å; F583-L597 HydrophobicContact CG-CD2 3.86Å; F583-L600 HydrophobicContact CE1-CB 4.14Å; F583-L600 HydrophobicContact CE1-CD1 4.4Å; F583-L600 HydrophobicContact CZ-CB 4.07Å; F583-A601 HydrophobicContact CE2-CB 3.73Å; F583-A601 HydrophobicContact CZ-CB 3.91Å; F583-F604 HydrophobicContact CE1-CD2 4.23Å; F583-F604 AromaticContact CE1-CE2 3.81Å; F583-F604 HydrophobicContact CE1-CE2 3.81Å; F583-F604 HydrophobicContact CZ-CD2 4Å; F583-F604 HydrophobicContact CZ-CE2 4.07Å |
| 584 | N | 91.6 | Very high | 92.9 | Very high | 135 Ų | 135 | 61 Ų | 61 | 72% | 0.722 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -94.4 | -31.9 | -179.9 | -66.2 | -21.4 | 0 | 0 | 0 | 113.1 | R580 M581 V582 | R580-N584 VanDerWaalsContact O-CB 3.22Å; R580-N584 WeakPolarHBondContact O-CB 3.45Å; R580-N584 PolarHBondContact O-N 3.38Å; R580-N584 PolarHBondContact O-ND2 3.5Å; M581-N584 PolarHBondContact O-N 3.33Å; V582-N584 PolarHBondContact O-N 3.15Å |
| 585 | E | 90.2 | Very high | 92.8 | Very high | 76 Ų | 76 | 59.5 Ų | 59.5 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -86.8 | -39.6 | -174.5 | -63.7 | -178.8 | -175.6 | 0 | 0 | 112.4 | M581 R647 | M581-E585 WeakPolarHBondContact CE-OE1 3.43Å; M581-E585 VanDerWaalsContact O-CB 3.25Å; M581-E585 WeakPolarHBondContact O-CB 3.28Å; M581-E585 WeakPolarHBondContact O-CG 3.43Å; M581-E585 PolarHBondContact O-N 3.01Å; E585-R647 IonicContact OE1-CZ 2.7Å; E585-R647 IonicContact OE1-NE 3.66Å; E585-R647 IonicContact OE1-NH2 3.61Å; E585-R647 PolarHBondContact OE1-NH2 3.23Å; E585-R647 IonicContact OE2-CZ 3.32Å; E585-R647 IonicContact OE2-NE 2.72Å; E585-R647 PolarHBondContact OE2-NE 3.07Å; E585-R647 VanDerWaalsContact OE2-NE 3.13Å; E585-R647 IonicContact OE2-NH2 2.7Å |
| 586 | H | 91.8 | Very high | 92.9 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 7% | 0.069 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -85.7 | 130.6 | -178.2 | -59.5 | -92.7 | 0 | 0 | 0 | 112.9 | V582 A588 F589 F627 G648 V650 | V582-H586 PolarHBondContact O-CD2 3.37Å; V582-H586 PolarHBondContact O-N 3.38Å; H586-A588 PolarHBondContact O-N 3.38Å; H586-F589 HydrophobicContact CB-CD2 4.06Å; H586-F589 HydrophobicContact CB-CE2 4.23Å; H586-F589 PolarHBondContact O-N 3Å; H586-F627 AromaticContact CD2-CD1 3.83Å; H586-F627 AromaticContact CE1-CD1 3.79Å; H586-F627 AromaticContact NE2-CD1 3.6Å; H586-G648 PolarHBondContact CE1-O 2.69Å; H586-G648 PolarHBondContact ND1-O 3.39Å; H586-V650 WeakPolarHBondContact CE1-CG2 3.43Å; H586-V650 WeakPolarHBondContact ND1-CG2 3.32Å |
| 587 | P | 91.5 | Very high | 92.9 | Very high | 84 Ų | 84 | 58.9 Ų | 58.9 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.3 | -178.7 | 26.8 | -35.5 | 0 | 0 | 0 | 113.7 | F589 R590 | P587-F589 VanDerWaalsContact C-N 3.26Å; P587-F589 PolarHBondContact O-N 2.93Å; P587-R590 PolarHBondContact O-N 2.92Å |
| 588 | A | 92.5 | Very high | 93 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -35.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H586 F695 F699 L703 | H586-A588 PolarHBondContact O-N 3.38Å; A588-F695 VanDerWaalsContact O-CE2 3.31Å; A588-F695 WeakPolarHBondContact O-CE2 3.48Å; A588-F695 WeakPolarHBondContact O-CZ 3.43Å; A588-F699 HydrophobicContact CB-CD2 4.03Å; A588-F699 HydrophobicContact CB-CE2 4.25Å; A588-L703 HydrophobicContact CB-CB 3.8Å; A588-L703 HydrophobicContact CB-CD1 4.1Å; A588-L703 HydrophobicContact CB-CG 4.46Å |
| 589 | F | 94 | Very high | 93.1 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -12.5 | -173.9 | -56.5 | -71 | 0 | 0 | 0 | 114.1 | V582 F583 H586 P587 L591 A592 L597 L600 F604 F627 F695 F699 | V582-F589 HydrophobicContact CG1-CD2 4.12Å; V582-F589 HydrophobicContact CG1-CE2 3.48Å; V582-F589 VanDerWaalsContact CG1-CE2 3.48Å; V582-F589 HydrophobicContact CG1-CZ 4.1Å; V582-F589 WeakPolarHBondContact O-CD2 3.45Å; F583-F589 HydrophobicContact CB-CB 4.49Å; F583-F589 HydrophobicContact CD1-CB 4.13Å; F583-F589 AromaticContact CD1-CD1 3.92Å; F583-F589 HydrophobicContact CD1-CD1 3.92Å; F583-F589 HydrophobicContact CD1-CD2 4.07Å; F583-F589 HydrophobicContact CD1-CE1 4.36Å; F583-F589 AromaticContact CD1-CG 3.76Å; F583-F589 HydrophobicContact CD1-CG 3.76Å; F583-F589 HydrophobicContact CE1-CD1 4.15Å; F583-F589 HydrophobicContact CE1-CE1 4.26Å; F583-F589 HydrophobicContact CE1-CG 4.43Å; H586-F589 HydrophobicContact CB-CD2 4.06Å; H586-F589 HydrophobicContact CB-CE2 4.23Å; H586-F589 PolarHBondContact O-N 3Å; P587-F589 VanDerWaalsContact C-N 3.26Å; P587-F589 PolarHBondContact O-N 2.93Å; F589-L591 PolarHBondContact O-N 3.45Å; F589-A592 VanDerWaalsContact O-CB 3.25Å; F589-A592 WeakPolarHBondContact O-CB 3.4Å; F589-A592 PolarHBondContact O-N 2.8Å; F589-L597 HydrophobicContact CB-CD2 4.26Å; F589-L600 HydrophobicContact CD1-CD1 3.84Å; F589-L600 HydrophobicContact CE1-CD1 3.79Å; F589-F604 HydrophobicContact CZ-CZ 4.26Å; F589-F627 HydrophobicContact CE2-CD1 4.41Å; F589-F627 AromaticContact CE2-CE1 3.69Å; F589-F627 HydrophobicContact CE2-CE1 3.69Å; F589-F627 AromaticContact CE2-CZ 3.99Å; F589-F627 HydrophobicContact CE2-CZ 3.99Å; F589-F627 AromaticContact CZ-CE1 3.91Å; F589-F627 HydrophobicContact CZ-CE1 3.91Å; F589-F627 HydrophobicContact CZ-CE2 4.49Å; F589-F627 AromaticContact CZ-CZ 3.7Å; F589-F627 HydrophobicContact CZ-CZ 3.7Å; F589-F695 HydrophobicContact CD1-CZ 4.17Å; F589-F699 HydrophobicContact CD1-CE2 4.48Å; F589-F699 HydrophobicContact CE1-CD2 4.21Å; F589-F699 AromaticContact CE1-CE2 3.65Å; F589-F699 HydrophobicContact CE1-CE2 3.65Å; F589-F699 AromaticContact CZ-CE2 3.85Å; F589-F699 HydrophobicContact CZ-CE2 3.85Å |
| 590 | R | 90.4 | Very high | 93.1 | Very high | 219 Ų | 219 | 53.8 Ų | 53.8 | 83% | 0.826 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.1 | -179.4 | -174.7 | 174.6 | 176.4 | -171.7 | -0.3 | 114.4 | P587 | P587-R590 PolarHBondContact O-N 2.92Š|
| 591 | L | 91.1 | Very high | 93.2 | Very high | 115 Ų | 115 | 48.6 Ų | 48.6 | 60% | 0.602 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 13 | 177.4 | -68.1 | 172.9 | 0 | 0 | 0 | 113.3 | F589 S698 | F589-L591 PolarHBondContact O-N 3.45Å; L591-S698 VanDerWaalsContact CD1-OG 3.26Å; L591-S698 WeakPolarHBondContact CD1-OG 3.44Å |
| 592 | A | 93.2 | Very high | 93.3 | Very high | 19 Ų | 19 | 49.3 Ų | 49.3 | 16% | 0.157 | 26% | 0.264 | C | S | . | . | trans | -76.2 | 145.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F589 C596 L597 F695 | F589-A592 VanDerWaalsContact O-CB 3.25Å; F589-A592 WeakPolarHBondContact O-CB 3.4Å; F589-A592 PolarHBondContact O-N 2.8Å; A592-C596 HydrophobicContact CB-CB 4.34Å; A592-L597 HydrophobicContact CB-CD2 3.67Å; A592-L597 HydrophobicContact CB-CG 3.79Å; A592-F695 HydrophobicContact CB-CD2 3.97Å; A592-F695 HydrophobicContact CB-CE2 3.59Å; A592-F695 HydrophobicContact CB-CZ 3.96Å | ||
| 593 | S | 94.1 | Very high | 93.3 | Very high | 63 Ų | 63 | 51.5 Ų | 51.5 | 44% | 0.441 | 28% | 0.275 | S | S | . | . | trans | -78.1 | 155.3 | 165.9 | 60 | 0 | 0 | 0 | 0 | 110.5 | G595 C596 L597 | S593-G595 VanDerWaalsContact C-N 3.26Å; S593-G595 PolarHBondContact O-N 3.47Å; S593-C596 CarbonylContact O-C 3.39Å; S593-C596 WeakPolarHBondContact O-CA 3.35Å; S593-C596 VanDerWaalsContact O-CB 3.3Å; S593-C596 WeakPolarHBondContact O-CB 3.36Å; S593-C596 PolarHBondContact O-N 3.12Å; S593-C596 WeakPolarHBondContact OG-CB 3.34Å; S593-C596 PolarHBondContact OG-N 3.12Å; S593-L597 PolarHBondContact O-N 3.08Å | ||
| 594 | D | 92.9 | Very high | 93.3 | Very high | 88 Ų | 88 | 51.6 Ų | 51.6 | 47% | 0.471 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -52.6 | -42.7 | 176.8 | 166.4 | 87.9 | 0 | 0 | 0 | 112.1 | C596 L597 R598 | D594-C596 VanDerWaalsContact C-N 3.29Å; D594-C596 PolarHBondContact O-N 3Å; D594-L597 PolarHBondContact O-N 3.5Å; D594-L597 VanDerWaalsContact O-N 3.16Å; D594-R598 WeakPolarHBondContact O-CG 3.2Å; D594-R598 PolarHBondContact O-N 3.07Å; D594-R598 IonicContact OD1-CZ 3.39Å; D594-R598 IonicContact OD1-NE 2.68Å; D594-R598 PolarHBondContact OD1-NE 2.92Å; D594-R598 IonicContact OD1-NH2 3.76Å; D594-R598 PolarHBondContact OD1-NH2 3.25Å; D594-R598 IonicContact OD2-CZ 2.75Å; D594-R598 IonicContact OD2-NE 3.52Å; D594-R598 PolarHBondContact OD2-NE 3.4Å; D594-R598 IonicContact OD2-NH2 3.76Å |
| 595 | G | 93.2 | Very high | 93.3 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.4 | -33.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S593 A599 Y692 | S593-G595 VanDerWaalsContact C-N 3.26Å; S593-G595 PolarHBondContact O-N 3.47Å; G595-A599 WeakPolarHBondContact O-CB 3.46Å; G595-A599 PolarHBondContact O-N 2.99Å; G595-A599 VanDerWaalsContact O-N 3.09Å; G595-Y692 PolarHBondContact O-OH 3.22Å |
| 596 | C | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.1 | -41.9 | 173.5 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | A592 S593 D594 A599 L600 Y692 F695 | A592-C596 HydrophobicContact CB-CB 4.34Å; S593-C596 CarbonylContact O-C 3.39Å; S593-C596 WeakPolarHBondContact O-CA 3.35Å; S593-C596 VanDerWaalsContact O-CB 3.3Å; S593-C596 WeakPolarHBondContact O-CB 3.36Å; S593-C596 PolarHBondContact O-N 3.12Å; S593-C596 WeakPolarHBondContact OG-CB 3.34Å; S593-C596 PolarHBondContact OG-N 3.12Å; D594-C596 VanDerWaalsContact C-N 3.29Å; D594-C596 PolarHBondContact O-N 3Å; C596-A599 PolarHBondContact O-N 3.5Å; C596-L600 WeakPolarHBondContact O-CG 3.45Å; C596-L600 PolarHBondContact O-N 2.96Å; C596-Y692 HydrophobicContact CB-CD1 4.08Å; C596-Y692 HydrophobicContact CB-CD2 3.88Å; C596-Y692 HydrophobicContact CB-CE1 4.17Å; C596-Y692 HydrophobicContact CB-CE2 3.96Å; C596-Y692 HydrophobicContact CB-CG 3.94Å; C596-Y692 VanDerWaalsContact SG-CD2 3.57Å; C596-F695 VanDerWaalsContact SG-CD1 3.52Å |
| 597 | L | 95.4 | Very high | 93.2 | Very high | 34 Ų | 34 | 51.4 Ų | 51.4 | 18% | 0.178 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.1 | -45 | 172.8 | -66.6 | 174.7 | 0 | 0 | 0 | 111.4 | I576 F583 F589 A592 S593 D594 A599 L600 A601 | I576-L597 HydrophobicContact CD1-CB 4.28Å; F583-L597 HydrophobicContact CB-CD2 4.23Å; F583-L597 HydrophobicContact CD1-CD2 3.73Å; F583-L597 HydrophobicContact CD2-CD2 4.34Å; F583-L597 HydrophobicContact CE1-CD2 4.12Å; F583-L597 HydrophobicContact CG-CD2 3.86Å; F589-L597 HydrophobicContact CB-CD2 4.26Å; A592-L597 HydrophobicContact CB-CD2 3.67Å; A592-L597 HydrophobicContact CB-CG 3.79Å; S593-L597 PolarHBondContact O-N 3.08Å; D594-L597 PolarHBondContact O-N 3.5Å; D594-L597 VanDerWaalsContact O-N 3.16Å; L597-A599 VanDerWaalsContact C-N 3.31Å; L597-A599 PolarHBondContact O-N 3.01Å; L597-L600 PolarHBondContact O-N 3.25Å; L597-A601 WeakPolarHBondContact O-CB 3.38Å; L597-A601 PolarHBondContact O-N 3.37Å |
| 598 | R | 94.8 | Very high | 93.1 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.9 | -43.1 | 173.2 | -71.3 | -179.5 | -166.9 | -73.5 | -41.6 | 111.7 | D569 A572 D573 I576 D594 V602 | D569-R598 IonicContact OD1-CZ 2.67Å; D569-R598 IonicContact OD1-NH1 3.58Å; D569-R598 PolarHBondContact OD1-NH1 3.4Å; A572-R598 HydrophobicContact CB-CB 4.03Å; A572-R598 HydrophobicContact CB-CG 3.99Å; D573-R598 IonicContact OD1-CZ 3.72Å; D573-R598 VanDerWaalsContact OD1-CZ 3.25Å; D573-R598 IonicContact OD1-NH1 3.87Å; D573-R598 PolarHBondContact OD1-NH1 2.98Å; D573-R598 IonicContact OD1-NH2 3.81Å; D573-R598 PolarHBondContact OD1-NH2 3.23Å; I576-R598 HydrophobicContact CD1-CB 4.36Å; I576-R598 HydrophobicContact CD1-CG 3.58Å; D594-R598 WeakPolarHBondContact O-CG 3.2Å; D594-R598 PolarHBondContact O-N 3.07Å; D594-R598 IonicContact OD1-CZ 3.39Å; D594-R598 IonicContact OD1-NE 2.68Å; D594-R598 PolarHBondContact OD1-NE 2.92Å; D594-R598 IonicContact OD1-NH2 3.76Å; D594-R598 PolarHBondContact OD1-NH2 3.25Å; D594-R598 IonicContact OD2-CZ 2.75Å; D594-R598 IonicContact OD2-NE 3.52Å; D594-R598 PolarHBondContact OD2-NE 3.4Å; D594-R598 IonicContact OD2-NH2 3.76Å; R598-V602 WeakPolarHBondContact O-CG2 3.42Å; R598-V602 PolarHBondContact O-N 3.24Å |
| 599 | A | 95 | Very high | 92.9 | Very high | 28 Ų | 28 | 50.8 Ų | 50.8 | 23% | 0.231 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.7 | -35.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G595 C596 L597 N603 V688 Y692 | G595-A599 WeakPolarHBondContact O-CB 3.46Å; G595-A599 PolarHBondContact O-N 2.99Å; G595-A599 VanDerWaalsContact O-N 3.09Å; C596-A599 PolarHBondContact O-N 3.5Å; L597-A599 VanDerWaalsContact C-N 3.31Å; L597-A599 PolarHBondContact O-N 3.01Å; A599-N603 PolarHBondContact O-ND2 3.14Å; A599-V688 HydrophobicContact CB-CG1 4.07Å; A599-V688 HydrophobicContact CB-CG2 4.22Å; A599-Y692 HydrophobicContact CB-CE2 3.9Å |
| 600 | L | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.6 | -50.5 | 172.7 | -71.5 | 168.6 | 0 | 0 | 0 | 111 | F583 F589 C596 L597 V602 N603 F604 I680 L685 V688 F695 | F583-L600 HydrophobicContact CE1-CB 4.14Å; F583-L600 HydrophobicContact CE1-CD1 4.4Å; F583-L600 HydrophobicContact CZ-CB 4.07Å; F589-L600 HydrophobicContact CD1-CD1 3.84Å; F589-L600 HydrophobicContact CE1-CD1 3.79Å; C596-L600 WeakPolarHBondContact O-CG 3.45Å; C596-L600 PolarHBondContact O-N 2.96Å; L597-L600 PolarHBondContact O-N 3.25Å; L600-V602 VanDerWaalsContact C-N 3.31Å; L600-V602 PolarHBondContact O-N 3Å; L600-N603 CarbonylContact O-C 3.52Å; L600-N603 WeakPolarHBondContact O-CA 3.32Å; L600-N603 PolarHBondContact O-N 3.44Å; L600-F604 HydrophobicContact CB-CD2 4.38Å; L600-F604 HydrophobicContact CB-CE2 4.23Å; L600-F604 WeakPolarHBondContact O-CD2 3.42Å; L600-F604 PolarHBondContact O-N 3.43Å; L600-I680 HydrophobicContact CD2-CD1 3.99Å; L600-L685 HydrophobicContact CD2-CD1 3.99Å; L600-V688 HydrophobicContact CD2-CB 4.22Å; L600-V688 HydrophobicContact CD2-CG1 3.81Å; L600-V688 HydrophobicContact CG-CG1 3.97Å; L600-F695 HydrophobicContact CD1-CE1 4.2Å |
| 601 | A | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.7 | -39.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | C575 I576 N579 F583 L597 N603 F604 | C575-A601 HydrophobicContact CB-CB 3.72Å; C575-A601 WeakPolarHBondContact CB-O 3.47Å; I576-A601 HydrophobicContact CG1-CB 3.69Å; N579-A601 PolarHBondContact ND2-O 2.8Å; F583-A601 HydrophobicContact CE2-CB 3.73Å; F583-A601 HydrophobicContact CZ-CB 3.91Å; L597-A601 WeakPolarHBondContact O-CB 3.38Å; L597-A601 PolarHBondContact O-N 3.37Å; A601-N603 PolarHBondContact O-N 2.95Å; A601-F604 PolarHBondContact O-N 2.85Å |
| 602 | V | 92.9 | Very high | 92.3 | Very high | 62 Ų | 62 | 39.7 Ų | 39.7 | 38% | 0.376 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -13.5 | 178.9 | 175.6 | 0 | 0 | 0 | 0 | 112.6 | A572 C575 R598 L600 | A572-V602 HydrophobicContact CB-CG2 4.02Å; C575-V602 HydrophobicContact CB-CG2 4.28Å; R598-V602 WeakPolarHBondContact O-CG2 3.42Å; R598-V602 PolarHBondContact O-N 3.24Å; L600-V602 VanDerWaalsContact C-N 3.31Å; L600-V602 PolarHBondContact O-N 3Å |
| 603 | N | 94.1 | Very high | 92.1 | Very high | 46 Ų | 46 | 40 Ų | 40 | 25% | 0.246 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -1.4 | 176.8 | -70.9 | -73.5 | 0 | 0 | 0 | 113.9 | A599 L600 A601 I680 C684 | A599-N603 PolarHBondContact O-ND2 3.14Å; L600-N603 CarbonylContact O-C 3.52Å; L600-N603 WeakPolarHBondContact O-CA 3.32Å; L600-N603 PolarHBondContact O-N 3.44Å; A601-N603 PolarHBondContact O-N 2.95Å; N603-I680 HydrophobicContact CB-CD1 4.21Å; N603-I680 HydrophobicContact CB-CG1 4.42Å; N603-C684 HydrophobicContact CB-CB 3.8Å; N603-C684 PolarHBondContact OD1-SG 2.94Å |
| 604 | F | 94.2 | Very high | 91.9 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 130.4 | 173.6 | -94.6 | -79.2 | 0 | 0 | 0 | 110.6 | N579 V582 F583 F589 L600 A601 F627 H678 I680 | N579-F604 VanDerWaalsContact OD1-CB 3.22Å; N579-F604 WeakPolarHBondContact OD1-CB 3.49Å; V582-F604 HydrophobicContact CG1-CE1 4.48Å; V582-F604 HydrophobicContact CG1-CZ 4.19Å; F583-F604 HydrophobicContact CE1-CD2 4.23Å; F583-F604 AromaticContact CE1-CE2 3.81Å; F583-F604 HydrophobicContact CE1-CE2 3.81Å; F583-F604 HydrophobicContact CZ-CD2 4Å; F583-F604 HydrophobicContact CZ-CE2 4.07Å; F589-F604 HydrophobicContact CZ-CZ 4.26Å; L600-F604 HydrophobicContact CB-CD2 4.38Å; L600-F604 HydrophobicContact CB-CE2 4.23Å; L600-F604 WeakPolarHBondContact O-CD2 3.42Å; L600-F604 PolarHBondContact O-N 3.43Å; A601-F604 PolarHBondContact O-N 2.85Å; F604-F627 AromaticContact CE1-CD2 3.69Å; F604-F627 HydrophobicContact CE1-CD2 3.69Å; F604-F627 AromaticContact CE1-CE2 3.79Å; F604-F627 HydrophobicContact CE1-CE2 3.79Å; F604-F627 HydrophobicContact CZ-CD2 4.07Å; F604-F627 AromaticContact CZ-CE2 3.74Å; F604-F627 HydrophobicContact CZ-CE2 3.74Å; F604-F627 HydrophobicContact CZ-CZ 4.41Å; F604-H678 HydrophobicContact CD1-CB 4.24Å; F604-H678 HydrophobicContact CE1-CB 4.49Å; F604-I680 HydrophobicContact CD1-CB 3.9Å; F604-I680 HydrophobicContact CD1-CG2 4.46Å; F604-I680 HydrophobicContact CD2-CB 4.44Å; F604-I680 HydrophobicContact CD2-CD1 4.11Å; F604-I680 HydrophobicContact CE1-CB 3.78Å; F604-I680 HydrophobicContact CE1-CG2 3.83Å; F604-I680 HydrophobicContact CE2-CB 4.33Å; F604-I680 HydrophobicContact CE2-CD1 3.99Å; F604-I680 HydrophobicContact CE2-CG2 4.47Å; F604-I680 HydrophobicContact CG-CB 4.23Å; F604-I680 HydrophobicContact CZ-CB 4.02Å; F604-I680 HydrophobicContact CZ-CD1 4.42Å; F604-I680 HydrophobicContact CZ-CG2 3.84Å |
| 605 | N | 92 | Very high | 92 | Very high | 89 Ų | 89 | 37.3 Ų | 37.3 | 48% | 0.476 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.1 | 171.8 | -64.6 | -32.9 | 0 | 0 | 0 | 109.5 | C679 | N605-C679 PolarHBondContact N-O 2.75Å; N605-C679 PolarHBondContact O-N 3.38Å |
| 606 | T | 90.7 | Very high | 92 | Very high | 69 Ų | 69 | 36 Ų | 36 | 42% | 0.423 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 124.3 | 169.9 | -57 | 0 | 0 | 0 | 0 | 109.3 | L677 H678 | T606-L677 CarbonylContact C-O 3.59Å; T606-L677 WeakPolarHBondContact CA-O 3.43Å; T606-H678 PolarHBondContact OG1-CE1 3.4Å; T606-H678 PolarHBondContact OG1-ND1 3.3Å; T606-H678 PolarHBondContact OG1-NE2 3.09Å |
| 607 | I | 90 | Very high | 92 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 32% | 0.323 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 138.2 | 176.3 | -55 | -177 | 0 | 0 | 0 | 107.7 | T609 L677 C679 | I607-T609 HydrophobicContact CG2-CG2 4.22Å; I607-L677 HydrophobicContact CB-CB 4.4Å; I607-L677 PolarHBondContact N-O 3.07Å; I607-L677 PolarHBondContact O-N 2.96Å; I607-C679 HydrophobicContact CD1-CB 4.12Å |
| 608 | H | 88.5 | Confident | 91.9 | Very high | 57 Ų | 57 | 42.9 Ų | 42.9 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143.6 | 168.9 | -102.4 | 45.8 | 0 | 0 | 0 | 109.2 | I553 D676 | I553-H608 VanDerWaalsContact CD1-CD2 3.43Å; I553-H608 WeakPolarHBondContact CD1-CD2 3.43Å; H608-D676 IonicContact CE1-OD1 3.27Å; H608-D676 PolarHBondContact CE1-OD1 3.3Å; H608-D676 IonicContact CE1-OD2 2.79Å; H608-D676 PolarHBondContact CE1-OD2 2.9Å; H608-D676 VanDerWaalsContact CE1-OD2 3.25Å; H608-D676 IonicContact NE2-OD1 3.87Å |
| 609 | T | 88 | Confident | 91.8 | Very high | 15 Ų | 15 | 42.6 Ų | 42.6 | 9% | 0.092 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 146.2 | -179.3 | 51.1 | 0 | 0 | 0 | 0 | 110.2 | I607 I615 Y674 C675 L677 | I607-T609 HydrophobicContact CG2-CG2 4.22Å; T609-I615 HydrophobicContact CG2-CD1 4.35Å; T609-I615 HydrophobicContact CG2-CG1 3.89Å; T609-Y674 VanDerWaalsContact O-CA 3.3Å; T609-Y674 WeakPolarHBondContact O-CA 3.49Å; T609-C675 PolarHBondContact N-O 3.45Å; T609-C675 VanDerWaalsContact N-O 3.15Å; T609-C675 PolarHBondContact O-N 3.02Å; T609-C675 VanDerWaalsContact O-N 3.09Å; T609-C675 WeakPolarHBondContact OG1-CB 3.07Å; T609-C675 PolarHBondContact OG1-O 3.3Å; T609-C675 VanDerWaalsContact OG1-O 3.14Å; T609-L677 HydrophobicContact CG2-CD1 4.27Å |
| 610 | A | 86.9 | Confident | 91.8 | Very high | 11 Ų | 11 | 45 Ų | 45 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | trans | -95.7 | 161.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G612 D613 A671 Y674 | A610-G612 PolarHBondContact O-N 2.89Å; A610-D613 WeakPolarHBondContact CB-OD2 3.32Å; A610-D613 PolarHBondContact N-OD2 2.99Å; A610-D613 WeakPolarHBondContact O-CB 3.33Å; A610-D613 PolarHBondContact O-N 3.04Å; A610-A671 WeakPolarHBondContact O-CB 3.31Å; A610-Y674 HydrophobicContact CB-CD1 4.21Å; A610-Y674 HydrophobicContact CB-CE1 3.82Å | ||
| 611 | P | 88.5 | Confident | 91.6 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 40% | 0.403 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 127 | 173.7 | -24.6 | 32.5 | 0 | 0 | 0 | 112.1 | Y674 | P611-Y674 HydrophobicContact CG-CD2 4.17Å; P611-Y674 HydrophobicContact CG-CE2 4.06Å |
| 612 | G | 87.4 | Confident | 91.6 | Very high | 31 Ų | 31 | 47.8 Ų | 47.8 | 32% | 0.32 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -4.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A610 A671 | A610-G612 PolarHBondContact O-N 2.89Å; G612-A671 PolarHBondContact N-O 3.29Å |
| 613 | D | 88.6 | Confident | 91.6 | Very high | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | trans | -69.3 | 146.1 | 174.8 | -75.2 | -23.2 | 0 | 0 | 0 | 112.8 | R542 A610 R670 A671 | R542-D613 IonicContact CZ-OD1 2.81Å; R542-D613 IonicContact NE-OD1 2.85Å; R542-D613 IonicContact NH2-OD1 3.19Å; R542-D613 PolarHBondContact NH2-OD1 3.33Å; A610-D613 WeakPolarHBondContact CB-OD2 3.32Å; A610-D613 PolarHBondContact N-OD2 2.99Å; A610-D613 WeakPolarHBondContact O-CB 3.33Å; A610-D613 PolarHBondContact O-N 3.04Å; D613-R670 CarbonylContact O-C 3.56Å; D613-R670 VanDerWaalsContact O-CA 3.29Å; D613-R670 WeakPolarHBondContact O-CA 3.39Å; D613-A671 PolarHBondContact O-N 3.1Å | ||
| 614 | L | 91.5 | Very high | 91.6 | Very high | 67 Ų | 67 | 46.1 Ų | 46.1 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 128 | -179.8 | -56.7 | 179.8 | 0 | 0 | 0 | 108.7 | H617 T668 V669 R670 | L614-H617 VanDerWaalsContact CD1-CE1 3.45Å; L614-H617 WeakPolarHBondContact CD1-CE1 3.25Å; L614-T668 HydrophobicContact CD1-CG2 4.42Å; L614-T668 HydrophobicContact CD2-CG2 3.88Å; L614-V669 WeakPolarHBondContact CA-O 3.46Å; L614-R670 HydrophobicContact CD2-CB 3.64Å; L614-R670 HydrophobicContact CD2-CG 3.74Å |
| 615 | I | 93.5 | Very high | 91.6 | Very high | 26 Ų | 26 | 45.4 Ų | 45.4 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -32.6 | -172.5 | -66.7 | 143.1 | 0 | 0 | 0 | 111.8 | T609 L633 F651 V669 A671 L677 | T609-I615 HydrophobicContact CG2-CD1 4.35Å; T609-I615 HydrophobicContact CG2-CG1 3.89Å; I615-L633 HydrophobicContact CD1-CD2 3.49Å; I615-L633 VanDerWaalsContact CD1-CD2 3.49Å; I615-L633 HydrophobicContact CD1-CG 4.29Å; I615-F651 HydrophobicContact CG2-CE2 4.07Å; I615-F651 HydrophobicContact CG2-CZ 4.14Å; I615-V669 HydrophobicContact CB-CB 4.4Å; I615-V669 HydrophobicContact CB-CG1 4.39Å; I615-V669 HydrophobicContact CD1-CG1 4.21Å; I615-V669 PolarHBondContact N-O 3.11Å; I615-A671 HydrophobicContact CD1-CB 4.34Å; I615-L677 HydrophobicContact CD1-CD1 3.65Å; I615-L677 HydrophobicContact CG1-CD1 3.9Å; I615-L677 HydrophobicContact CG2-CD1 4.02Å |
| 616 | F | 94.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 140.5 | 167.3 | -73.5 | -72.7 | 0 | 0 | 0 | 108.3 | E620 I622 Q624 F651 T668 V669 L709 | F616-E620 WeakPolarHBondContact CA-OE2 3.43Å; F616-I622 HydrophobicContact CZ-CG2 4.39Å; F616-Q624 HydrophobicContact CE1-CG 4.33Å; F616-Q624 HydrophobicContact CZ-CG 3.73Å; F616-F651 HydrophobicContact CD2-CD2 4.26Å; F616-F651 AromaticContact CD2-CE2 3.88Å; F616-F651 HydrophobicContact CD2-CE2 3.88Å; F616-F651 HydrophobicContact CE2-CD2 4.16Å; F616-F651 AromaticContact CE2-CE2 3.85Å; F616-F651 HydrophobicContact CE2-CE2 3.85Å; F616-T668 CarbonylContact O-C 3.58Å; F616-T668 VanDerWaalsContact O-CA 3.29Å; F616-T668 WeakPolarHBondContact O-CA 3.43Å; F616-T668 WeakPolarHBondContact O-CG2 3.42Å; F616-V669 HydrophobicContact CB-CG2 4.3Å; F616-V669 HydrophobicContact CD2-CG2 4.41Å; F616-V669 PolarHBondContact O-N 3.2Å; F616-L709 HydrophobicContact CB-CD1 4.37Å; F616-L709 HydrophobicContact CD2-CD1 3.42Å; F616-L709 VanDerWaalsContact CD2-CD1 3.42Å; F616-L709 HydrophobicContact CE2-CD1 3.7Å; F616-L709 HydrophobicContact CG-CD1 3.92Å; F616-L709 HydrophobicContact CZ-CD1 4.38Å |
| 617 | H | 94.5 | Very high | 92.1 | Very high | 95 Ų | 95 | 37.9 Ų | 37.9 | 44% | 0.44 | 22% | 0.218 | S | C | . | . | trans | -96.3 | 146.8 | 172 | -66.3 | -97.5 | 0 | 0 | 0 | 111.5 | L614 G619 E620 | L614-H617 VanDerWaalsContact CD1-CE1 3.45Å; L614-H617 WeakPolarHBondContact CD1-CE1 3.25Å; H617-G619 PolarHBondContact O-N 3.43Å; H617-G619 VanDerWaalsContact O-N 3.17Å; H617-E620 HydrophobicContact CB-CB 4.23Å; H617-E620 IonicContact CD2-OE2 3.09Å; H617-E620 PolarHBondContact N-OE2 3.2Å; H617-E620 WeakPolarHBondContact O-CB 3.34Å; H617-E620 PolarHBondContact O-N 3.18Å | ||
| 618 | Q | 93.6 | Very high | 92.5 | Very high | 83 Ų | 83 | 35 Ų | 35 | 39% | 0.388 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 120.5 | 169.6 | -178.1 | 169.8 | -6.5 | 0 | 0 | 109.8 | D638 A666 A667 T668 | Q618-D638 PolarHBondContact NE2-OD1 2.88Å; Q618-D638 VanDerWaalsContact NE2-OD1 3.1Å; Q618-A666 WeakPolarHBondContact CG-O 3.32Å; Q618-A666 PolarHBondContact NE2-O 3.45Å; Q618-A667 PolarHBondContact N-O 3.15Å; Q618-T668 WeakPolarHBondContact CB-OG1 3.37Å; Q618-T668 PolarHBondContact N-OG1 3.48Å |
| 619 | G | 92.4 | Very high | 92.7 | Very high | 45 Ų | 45 | 33 Ų | 33 | 46% | 0.464 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | -7.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | H617 H664 S665 | H617-G619 PolarHBondContact O-N 3.43Å; H617-G619 VanDerWaalsContact O-N 3.17Å; G619-H664 PolarHBondContact O-ND1 2.87Å; G619-S665 PolarHBondContact N-O 2.87Å |
| 620 | E | 94.1 | Very high | 92.9 | Very high | 80 Ų | 80 | 34.9 Ų | 34.9 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | trans | -76.9 | 149.9 | 178.8 | -172.9 | 169.7 | -162.1 | 0 | 0 | 112.9 | F616 H617 H664 S665 | F616-E620 WeakPolarHBondContact CA-OE2 3.43Å; H617-E620 HydrophobicContact CB-CB 4.23Å; H617-E620 IonicContact CD2-OE2 3.09Å; H617-E620 PolarHBondContact N-OE2 3.2Å; H617-E620 WeakPolarHBondContact O-CB 3.34Å; H617-E620 PolarHBondContact O-N 3.18Å; E620-H664 CarbonylContact O-C 3.58Å; E620-H664 VanDerWaalsContact O-CA 3.26Å; E620-H664 WeakPolarHBondContact O-CA 3.47Å; E620-S665 PolarHBondContact O-N 2.76Å | ||
| 621 | S | 93.4 | Very high | 93.2 | Very high | 58 Ų | 58 | 35.2 Ų | 35.2 | 41% | 0.406 | 21% | 0.213 | S | C | . | . | B | Isolated β-bridge | trans | -73.7 | 126.3 | 177.9 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | D623 | S621-D623 PolarHBondContact O-N 3.46Å |
| 622 | I | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -80 | 86.8 | -179 | -50.7 | 158.1 | 0 | 0 | 0 | 109.7 | F616 E653 F655 M662 N663 L709 K710 | F616-I622 HydrophobicContact CZ-CG2 4.39Å; I622-E653 HydrophobicContact CD1-CB 4.26Å; I622-E653 HydrophobicContact CG2-CB 4.09Å; I622-F655 HydrophobicContact CG2-CE1 4.12Å; I622-F655 HydrophobicContact CG2-CZ 4.12Å; I622-F655 WeakPolarHBondContact O-CE1 3.48Å; I622-F655 WeakPolarHBondContact O-CZ 3.37Å; I622-M662 VanDerWaalsContact O-SD 3.38Å; I622-N663 PolarHBondContact N-O 2.74Å; I622-L709 HydrophobicContact CD1-CB 3.61Å; I622-L709 HydrophobicContact CG1-CB 4.12Å; I622-K710 HydrophobicContact CD1-CB 4.49Å | ||
| 623 | D | 92.7 | Very high | 94.1 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 25% | 0.246 | 20% | 0.196 | C | C | . | . | trans | -90.2 | -12.2 | -177.4 | 96.3 | -48 | 0 | 0 | 0 | 114.7 | S621 M662 K681 K682 | S621-D623 PolarHBondContact O-N 3.46Å; D623-M662 HydrophobicContact CB-CE 4.17Å; D623-K681 IonicContact OD2-NZ 3.53Å; D623-K681 PolarHBondContact OD2-NZ 2.87Å; D623-K682 VanDerWaalsContact O-CB 3.25Å; D623-K682 WeakPolarHBondContact O-CB 3.49Å; D623-K682 PolarHBondContact O-N 3.34Å | ||
| 624 | Q | 94.6 | Very high | 94.5 | Very high | 27 Ų | 27 | 32.4 Ų | 32.4 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 154.8 | -173.2 | 62.8 | -177.8 | -8.2 | 0 | 0 | 113 | F616 I680 | F616-Q624 HydrophobicContact CE1-CG 4.33Å; F616-Q624 HydrophobicContact CZ-CG 3.73Å; Q624-I680 WeakPolarHBondContact CA-O 3.26Å |
| 625 | L | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.2 | 175.1 | 175.3 | 70.1 | 0 | 0 | 0 | 108.8 | F627 V650 F655 C679 I680 L685 F699 L703 L705 | L625-F627 HydrophobicContact CD2-CE2 3.62Å; L625-F627 HydrophobicContact CD2-CZ 3.67Å; L625-F627 HydrophobicContact CG-CD2 4.48Å; L625-F627 HydrophobicContact CG-CE2 3.73Å; L625-F627 HydrophobicContact CG-CZ 4.14Å; L625-V650 HydrophobicContact CD1-CG1 3.77Å; L625-V650 HydrophobicContact CG-CG1 4.24Å; L625-F655 HydrophobicContact CB-CE2 3.91Å; L625-C679 WeakPolarHBondContact O-CA 3.45Å; L625-I680 HydrophobicContact CB-CG2 4.09Å; L625-I680 HydrophobicContact CD2-CG2 4.35Å; L625-I680 PolarHBondContact N-O 2.93Å; L625-I680 PolarHBondContact O-N 2.92Å; L625-L685 HydrophobicContact CD2-CD2 3.81Å; L625-F699 HydrophobicContact CD2-CZ 4.37Å; L625-L703 HydrophobicContact CD2-CD2 3.89Å; L625-L705 HydrophobicContact CD1-CD2 3.63Å |
| 626 | C | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.9 | -170.2 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | V650 F651 C679 | C626-V650 WeakPolarHBondContact O-CA 3.48Å; C626-V650 WeakPolarHBondContact O-CG1 3.4Å; C626-F651 HydrophobicContact CB-CD1 3.91Å; C626-F651 HydrophobicContact CB-CD2 4.1Å; C626-F651 HydrophobicContact CB-CE1 3.47Å; C626-F651 VanDerWaalsContact CB-CE1 3.47Å; C626-F651 HydrophobicContact CB-CE2 3.69Å; C626-F651 HydrophobicContact CB-CG 4.21Å; C626-F651 HydrophobicContact CB-CZ 3.37Å; C626-F651 PolarHBondContact N-O 3.18Å; C626-F651 PolarHBondContact O-N 3.28Å; C626-C679 PolarHBondContact SG-SG 3.15Å |
| 627 | F | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.4 | 176.1 | -61.5 | -103 | 0 | 0 | 0 | 108.8 | V582 H586 F589 F604 L625 V629 V650 H678 I680 L703 | V582-F627 HydrophobicContact CG1-CB 4.28Å; V582-F627 HydrophobicContact CG1-CD1 3.81Å; V582-F627 HydrophobicContact CG1-CD2 4.37Å; V582-F627 HydrophobicContact CG1-CE1 4.22Å; V582-F627 HydrophobicContact CG1-CG 3.91Å; V582-F627 HydrophobicContact CG2-CB 4.03Å; H586-F627 AromaticContact CD2-CD1 3.83Å; H586-F627 AromaticContact CE1-CD1 3.79Å; H586-F627 AromaticContact NE2-CD1 3.6Å; F589-F627 HydrophobicContact CE2-CD1 4.41Å; F589-F627 AromaticContact CE2-CE1 3.69Å; F589-F627 HydrophobicContact CE2-CE1 3.69Å; F589-F627 AromaticContact CE2-CZ 3.99Å; F589-F627 HydrophobicContact CE2-CZ 3.99Å; F589-F627 AromaticContact CZ-CE1 3.91Å; F589-F627 HydrophobicContact CZ-CE1 3.91Å; F589-F627 HydrophobicContact CZ-CE2 4.49Å; F589-F627 AromaticContact CZ-CZ 3.7Å; F589-F627 HydrophobicContact CZ-CZ 3.7Å; F604-F627 AromaticContact CE1-CD2 3.69Å; F604-F627 HydrophobicContact CE1-CD2 3.69Å; F604-F627 AromaticContact CE1-CE2 3.79Å; F604-F627 HydrophobicContact CE1-CE2 3.79Å; F604-F627 HydrophobicContact CZ-CD2 4.07Å; F604-F627 AromaticContact CZ-CE2 3.74Å; F604-F627 HydrophobicContact CZ-CE2 3.74Å; F604-F627 HydrophobicContact CZ-CZ 4.41Å; L625-F627 HydrophobicContact CD2-CE2 3.62Å; L625-F627 HydrophobicContact CD2-CZ 3.67Å; L625-F627 HydrophobicContact CG-CD2 4.48Å; L625-F627 HydrophobicContact CG-CE2 3.73Å; L625-F627 HydrophobicContact CG-CZ 4.14Å; F627-V629 PolarHBondContact O-N 3.43Å; F627-V650 HydrophobicContact CD1-CB 4.3Å; F627-V650 HydrophobicContact CD1-CG1 3.81Å; F627-V650 HydrophobicContact CD1-CG2 3.5Å; F627-V650 HydrophobicContact CD2-CG1 4.43Å; F627-V650 HydrophobicContact CE1-CB 4.46Å; F627-V650 HydrophobicContact CE1-CG1 3.75Å; F627-V650 HydrophobicContact CE1-CG2 3.77Å; F627-V650 HydrophobicContact CE2-CG1 4.39Å; F627-V650 HydrophobicContact CG-CG1 4.15Å; F627-V650 HydrophobicContact CG-CG2 4.36Å; F627-V650 HydrophobicContact CZ-CG1 4.06Å; F627-H678 HydrophobicContact CB-CB 4.43Å; F627-H678 WeakPolarHBondContact CD2-O 3.43Å; F627-H678 PolarHBondContact N-O 2.99Å; F627-H678 PolarHBondContact O-N 2.88Å; F627-I680 HydrophobicContact CE2-CG2 4.26Å; F627-L703 HydrophobicContact CE1-CD1 4.02Å; F627-L703 HydrophobicContact CZ-CD1 4.47Å; F627-L703 HydrophobicContact CZ-CD2 4.29Å |
| 628 | V | 96.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 110.5 | -178.5 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | L633 L645 G646 R647 G648 D649 F651 L677 | V628-L633 HydrophobicContact CB-CD1 4.43Å; V628-L633 HydrophobicContact CG1-CD1 3.69Å; V628-L633 HydrophobicContact CG2-CD1 3.78Å; V628-L645 HydrophobicContact CG2-CB 4.39Å; V628-G646 VanDerWaalsContact CB-O 3.26Å; V628-G646 WeakPolarHBondContact CB-O 3.42Å; V628-G646 VanDerWaalsContact CG1-O 3.28Å; V628-G646 WeakPolarHBondContact CG1-O 3.43Å; V628-R647 WeakPolarHBondContact O-CA 3.28Å; V628-G648 PolarHBondContact O-N 2.94Å; V628-D649 HydrophobicContact CG2-CB 4.46Å; V628-D649 PolarHBondContact N-O 2.92Å; V628-F651 HydrophobicContact CG2-CD1 4.03Å; V628-F651 HydrophobicContact CG2-CE1 3.68Å; V628-L677 HydrophobicContact CB-CD2 4.36Å; V628-L677 HydrophobicContact CG1-CD2 4.39Å; V628-L677 HydrophobicContact CG2-CD2 3.95Å |
| 629 | V | 93.8 | Very high | 94.5 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -30.6 | -179.8 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | M581 V582 F627 R647 D676 H678 | M581-V629 HydrophobicContact CB-CG1 3.62Å; M581-V629 HydrophobicContact CB-CG2 4.1Å; M581-V629 HydrophobicContact CE-CG1 4.49Å; M581-V629 HydrophobicContact CG-CG1 3.65Å; V582-V629 HydrophobicContact CG2-CG2 3.66Å; F627-V629 PolarHBondContact O-N 3.43Å; V629-R647 VanDerWaalsContact O-CD 3.31Å; V629-R647 WeakPolarHBondContact O-CD 3.26Å; V629-R647 VanDerWaalsContact O-CG 3.32Å; V629-R647 WeakPolarHBondContact O-CG 3.49Å; V629-D676 HydrophobicContact CB-CB 4.32Å; V629-D676 PolarHBondContact N-O 2.98Å; V629-H678 HydrophobicContact CG2-CB 4.21Å; V629-H678 WeakPolarHBondContact CG2-CD2 3.46Å |
| 630 | S | 92.8 | Very high | 94.5 | Very high | 55 Ų | 55 | 31.4 Ų | 31.4 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 158.9 | 176.3 | -164.9 | 0 | 0 | 0 | 0 | 111.1 | C675 D676 | S630-C675 WeakPolarHBondContact O-CA 3.26Å; S630-D676 PolarHBondContact N-O 2.94Å; S630-D676 PolarHBondContact O-N 2.94Å |
| 631 | G | 92.9 | Very high | 94.5 | Very high | 18 Ų | 18 | 31.7 Ų | 31.7 | 19% | 0.186 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 82.5 | -167.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T673 Y674 | G631-T673 WeakPolarHBondContact CA-OG1 3.34Å; G631-Y674 WeakPolarHBondContact CA-O 3.4Å |
| 632 | S | 96.6 | Very high | 94.5 | Very high | 52 Ų | 52 | 30.9 Ų | 30.9 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | trans | -142 | 141.5 | 177.8 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | L645 L672 T673 C675 | S632-L645 CarbonylContact C-O 3.58Å; S632-L645 WeakPolarHBondContact CA-O 3.08Å; S632-L672 WeakPolarHBondContact O-CB 3.48Å; S632-L672 PolarHBondContact O-N 2.91Å; S632-T673 PolarHBondContact N-OG1 3.19Å; S632-T673 PolarHBondContact O-N 3.01Å; S632-C675 PolarHBondContact N-SG 3.3Å; S632-C675 VanDerWaalsContact N-SG 3.4Å; S632-C675 PolarHBondContact O-SG 3.42Å | ||
| 633 | L | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 160 | -179 | -54.7 | 72.8 | 0 | 0 | 0 | 110.2 | I615 V628 F644 L645 F651 V669 R670 C675 L677 | I615-L633 HydrophobicContact CD1-CD2 3.49Å; I615-L633 VanDerWaalsContact CD1-CD2 3.49Å; I615-L633 HydrophobicContact CD1-CG 4.29Å; V628-L633 HydrophobicContact CB-CD1 4.43Å; V628-L633 HydrophobicContact CG1-CD1 3.69Å; V628-L633 HydrophobicContact CG2-CD1 3.78Å; L633-F644 CarbonylContact O-C 3.48Å; L633-F644 WeakPolarHBondContact O-CA 3.32Å; L633-L645 HydrophobicContact CB-CB 4.25Å; L633-L645 PolarHBondContact N-O 3.29Å; L633-L645 PolarHBondContact O-N 3.29Å; L633-F651 HydrophobicContact CD2-CE1 3.87Å; L633-F651 HydrophobicContact CD2-CZ 3.76Å; L633-V669 HydrophobicContact CB-CG1 4.44Å; L633-V669 HydrophobicContact CD2-CG1 3.8Å; L633-R670 CarbonylContact C-O 3.53Å; L633-R670 VanDerWaalsContact CA-O 3.28Å; L633-R670 WeakPolarHBondContact CA-O 3.44Å; L633-R670 WeakPolarHBondContact CB-O 3.49Å; L633-C675 HydrophobicContact CD1-CB 4.16Å; L633-L677 HydrophobicContact CD1-CD2 4.24Å; L633-L677 HydrophobicContact CD2-CD1 4.43Å; L633-L677 HydrophobicContact CD2-CD2 4.12Å |
| 634 | E | 96.9 | Very high | 94.7 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 145.4 | 168.9 | 64.9 | -172.2 | 143.7 | 0 | 0 | 110.4 | I636 I641 A643 F644 R670 L672 | E634-I636 HydrophobicContact CG-CD1 4.13Å; E634-I636 HydrophobicContact CG-CG1 4.12Å; E634-I641 HydrophobicContact CB-CG2 4.19Å; E634-I641 WeakPolarHBondContact OE2-CD1 3.47Å; E634-A643 WeakPolarHBondContact CA-O 3.42Å; E634-F644 HydrophobicContact CB-CD1 3.85Å; E634-F644 HydrophobicContact CB-CE1 3.87Å; E634-R670 VanDerWaalsContact CD-NH2 3.25Å; E634-R670 HydrophobicContact CG-CB 3.93Å; E634-R670 PolarHBondContact N-O 2.82Å; E634-R670 PolarHBondContact O-N 2.94Å; E634-R670 IonicContact OE1-CZ 2.69Å; E634-R670 IonicContact OE1-NE 3.26Å; E634-R670 PolarHBondContact OE1-NE 2.88Å; E634-R670 IonicContact OE1-NH2 2.79Å; E634-R670 PolarHBondContact OE1-NH2 2.93Å; E634-R670 IonicContact OE2-NH2 2.7Å; E634-R670 PolarHBondContact OE2-NH2 3.26Å; E634-L672 HydrophobicContact CB-CD1 4.24Å; E634-L672 HydrophobicContact CB-CD2 4.49Å; E634-L672 HydrophobicContact CB-CG 4.31Å; E634-L672 HydrophobicContact CG-CD2 4.15Å; E634-L672 HydrophobicContact CG-CG 4.25Å; E634-L672 WeakPolarHBondContact OE1-CD2 3.49Å |
| 635 | V | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.5 | 174.3 | -172.3 | 0 | 0 | 0 | 0 | 107.8 | I641 V642 A643 L645 A667 T668 V669 Y707 | V635-I641 CarbonylContact O-C 3.53Å; V635-I641 WeakPolarHBondContact O-CA 3.45Å; V635-V642 HydrophobicContact CB-CG2 4.03Å; V635-V642 HydrophobicContact CG1-CG2 3.8Å; V635-V642 VanDerWaalsContact O-CG2 3.32Å; V635-V642 WeakPolarHBondContact O-CG2 3.34Å; V635-V642 PolarHBondContact O-N 2.83Å; V635-A643 HydrophobicContact CB-CB 4.14Å; V635-A643 HydrophobicContact CG2-CB 4.16Å; V635-A643 PolarHBondContact N-O 2.92Å; V635-A643 PolarHBondContact O-N 3.46Å; V635-L645 HydrophobicContact CG2-CD1 3.78Å; V635-L645 HydrophobicContact CG2-CG 4.08Å; V635-A667 HydrophobicContact CG1-CB 3.63Å; V635-T668 WeakPolarHBondContact CA-O 3.35Å; V635-V669 HydrophobicContact CG1-CG2 4.43Å; V635-V669 HydrophobicContact CG2-CG2 4.36Å; V635-Y707 HydrophobicContact CG1-CD1 4.15Å; V635-Y707 HydrophobicContact CG1-CD2 4.35Å; V635-Y707 HydrophobicContact CG1-CE1 3.86Å; V635-Y707 HydrophobicContact CG1-CE2 4.06Å; V635-Y707 HydrophobicContact CG1-CG 4.4Å; V635-Y707 HydrophobicContact CG2-CD2 4.48Å; V635-Y707 HydrophobicContact CG2-CG 4.37Å |
| 636 | I | 96 | Very high | 94.8 | Very high | 24 Ų | 24 | 35.7 Ų | 35.7 | 12% | 0.123 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.3 | -170.4 | -51.9 | 173.5 | 0 | 0 | 0 | 108.7 | E634 E640 I641 A667 T668 R670 | E634-I636 HydrophobicContact CG-CD1 4.13Å; E634-I636 HydrophobicContact CG-CG1 4.12Å; I636-E640 CarbonylContact C-O 3.59Å; I636-E640 WeakPolarHBondContact CA-O 3.25Å; I636-I641 HydrophobicContact CG1-CG1 4.45Å; I636-A667 WeakPolarHBondContact O-CA 3.48Å; I636-A667 WeakPolarHBondContact O-CB 3.45Å; I636-T668 PolarHBondContact N-O 3.48Å; I636-T668 PolarHBondContact O-N 3.39Å; I636-R670 HydrophobicContact CD1-CB 4.28Å; I636-R670 VanDerWaalsContact CD1-CZ 3.45Å |
| 637 | Q | 94.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.1 | 175.9 | -157.3 | -162 | -80.1 | 0 | 0 | 108.7 | D639 E640 V642 A666 A667 L713 F715 | Q637-D639 VanDerWaalsContact C-N 3.26Å; Q637-D639 PolarHBondContact O-N 2.89Å; Q637-E640 PolarHBondContact N-O 2.74Å; Q637-E640 PolarHBondContact O-N 3.32Å; Q637-V642 HydrophobicContact CB-CG1 3.73Å; Q637-V642 HydrophobicContact CB-CG2 4.06Å; Q637-A666 WeakPolarHBondContact CG-O 3.32Å; Q637-A667 HydrophobicContact CB-CB 4.06Å; Q637-A667 HydrophobicContact CG-CB 4.17Å; Q637-L713 PolarHBondContact NE2-O 3.29Å; Q637-F715 HydrophobicContact CB-CE1 4.29Å; Q637-F715 HydrophobicContact CB-CZ 4.41Å |
| 638 | D | 91 | Very high | 94.5 | Very high | 45 Ų | 45 | 44.4 Ų | 44.4 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 43.9 | 174.8 | -42.7 | -51.6 | 0 | 0 | 0 | 113.2 | Q618 E640 R712 F715 K717 | Q618-D638 PolarHBondContact NE2-OD1 2.88Å; Q618-D638 VanDerWaalsContact NE2-OD1 3.1Å; D638-E640 VanDerWaalsContact C-N 3.25Å; D638-E640 PolarHBondContact O-N 3.48Å; D638-R712 IonicContact OD1-CZ 3.91Å; D638-R712 VanDerWaalsContact OD1-CZ 3.26Å; D638-R712 IonicContact OD1-NH1 2.79Å; D638-R712 PolarHBondContact OD1-NH1 1.85Å; D638-R712 IonicContact OD1-NH2 3.78Å; D638-R712 PolarHBondContact OD1-NH2 3.49Å; D638-R712 IonicContact OD2-CZ 2.75Å; D638-R712 IonicContact OD2-NH1 2.76Å; D638-R712 PolarHBondContact OD2-NH1 3.12Å; D638-R712 VanDerWaalsContact OD2-NH1 3.09Å; D638-R712 IonicContact OD2-NH2 3.98Å; D638-R712 PolarHBondContact OD2-NH2 2.74Å; D638-F715 HydrophobicContact CB-CZ 4.36Å; D638-K717 WeakPolarHBondContact O-CE 3.44Å; D638-K717 PolarHBondContact O-NZ 3.15Å |
| 639 | D | 89.9 | Confident | 94.5 | Very high | 148 Ų | 148 | 46.3 Ų | 46.3 | 79% | 0.791 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 9.7 | -174.9 | -47.5 | -48.5 | 0 | 0 | 0 | 116.9 | Q637 | Q637-D639 VanDerWaalsContact C-N 3.26Å; Q637-D639 PolarHBondContact O-N 2.89Å |
| 640 | E | 92.5 | Very high | 94.6 | Very high | 80 Ų | 80 | 45.7 Ų | 45.7 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 144.4 | 170.7 | -57.1 | -60.9 | 146.2 | 0 | 0 | 111.1 | I636 Q637 D638 V642 F715 K717 | I636-E640 CarbonylContact C-O 3.59Å; I636-E640 WeakPolarHBondContact CA-O 3.25Å; Q637-E640 PolarHBondContact N-O 2.74Å; Q637-E640 PolarHBondContact O-N 3.32Å; D638-E640 VanDerWaalsContact C-N 3.25Å; D638-E640 PolarHBondContact O-N 3.48Å; E640-V642 PolarHBondContact O-N 3.37Å; E640-F715 HydrophobicContact CB-CE2 4Å; E640-F715 HydrophobicContact CB-CZ 4.07Å; E640-F715 HydrophobicContact CG-CE2 3.68Å; E640-F715 HydrophobicContact CG-CZ 4.22Å; E640-K717 HydrophobicContact CG-CD 4.38Å; E640-K717 HydrophobicContact CG-CG 4.16Å; E640-K717 VanDerWaalsContact OE1-CD 3.27Å; E640-K717 WeakPolarHBondContact OE1-CD 3.3Å; E640-K717 VanDerWaalsContact OE1-CE 3.29Å; E640-K717 WeakPolarHBondContact OE1-CE 3.5Å; E640-K717 IonicContact OE1-NZ 2.89Å; E640-K717 PolarHBondContact OE1-NZ 2.88Å |
| 641 | I | 93.9 | Very high | 94.7 | Very high | 86 Ų | 86 | 43.1 Ų | 43.1 | 44% | 0.441 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 119.2 | 172.8 | -57 | 165.7 | 0 | 0 | 0 | 108.5 | E634 V635 I636 F644 | E634-I641 HydrophobicContact CB-CG2 4.19Å; E634-I641 WeakPolarHBondContact OE2-CD1 3.47Å; V635-I641 CarbonylContact O-C 3.53Å; V635-I641 WeakPolarHBondContact O-CA 3.45Å; I636-I641 HydrophobicContact CG1-CG1 4.45Å; I641-F644 HydrophobicContact CD1-CZ 4.26Å; I641-F644 HydrophobicContact CG2-CE1 3.97Å; I641-F644 HydrophobicContact CG2-CE2 4.12Å; I641-F644 HydrophobicContact CG2-CZ 3.76Å |
| 642 | V | 93.2 | Very high | 94.8 | Very high | 41 Ų | 41 | 42.2 Ų | 42.2 | 25% | 0.248 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -22.9 | -176.1 | -68 | 0 | 0 | 0 | 0 | 114 | V635 Q637 E640 Y707 L713 F715 | V635-V642 HydrophobicContact CB-CG2 4.03Å; V635-V642 HydrophobicContact CG1-CG2 3.8Å; V635-V642 VanDerWaalsContact O-CG2 3.32Å; V635-V642 WeakPolarHBondContact O-CG2 3.34Å; V635-V642 PolarHBondContact O-N 2.83Å; Q637-V642 HydrophobicContact CB-CG1 3.73Å; Q637-V642 HydrophobicContact CB-CG2 4.06Å; E640-V642 PolarHBondContact O-N 3.37Å; V642-Y707 HydrophobicContact CB-CE2 4.47Å; V642-Y707 HydrophobicContact CG2-CE2 3.77Å; V642-L713 HydrophobicContact CB-CD1 3.82Å; V642-L713 HydrophobicContact CG1-CD1 4.15Å; V642-L713 HydrophobicContact CG2-CD1 4.31Å; V642-F715 HydrophobicContact CG1-CD1 4.5Å; V642-F715 HydrophobicContact CG1-CE1 3.75Å; V642-F715 HydrophobicContact CG1-CZ 4.24Å |
| 643 | A | 94.7 | Very high | 94.6 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 17% | 0.174 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 158.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | E634 V635 Y707 | E634-A643 WeakPolarHBondContact CA-O 3.42Å; V635-A643 HydrophobicContact CB-CB 4.14Å; V635-A643 HydrophobicContact CG2-CB 4.16Å; V635-A643 PolarHBondContact N-O 2.92Å; V635-A643 PolarHBondContact O-N 3.46Å; A643-Y707 HydrophobicContact CB-CD2 3.66Å; A643-Y707 HydrophobicContact CB-CE2 4.11Å |
| 644 | F | 96.7 | Very high | 94.4 | Very high | 131 Ų | 131 | 40.1 Ų | 40.1 | 58% | 0.575 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 145.7 | 162.2 | -64.4 | -76.5 | 0 | 0 | 0 | 108.5 | L633 E634 I641 L672 | L633-F644 CarbonylContact O-C 3.48Å; L633-F644 WeakPolarHBondContact O-CA 3.32Å; E634-F644 HydrophobicContact CB-CD1 3.85Å; E634-F644 HydrophobicContact CB-CE1 3.87Å; I641-F644 HydrophobicContact CD1-CZ 4.26Å; I641-F644 HydrophobicContact CG2-CE1 3.97Å; I641-F644 HydrophobicContact CG2-CE2 4.12Å; I641-F644 HydrophobicContact CG2-CZ 3.76Å; F644-L672 HydrophobicContact CD1-CD1 3.86Å; F644-L672 HydrophobicContact CE1-CD1 3.99Å |
| 645 | L | 96.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.2 | 178.8 | -51.5 | 171.1 | 0 | 0 | 0 | 108.5 | V628 S632 L633 V635 D649 F651 T706 | V628-L645 HydrophobicContact CG2-CB 4.39Å; S632-L645 CarbonylContact C-O 3.58Å; S632-L645 WeakPolarHBondContact CA-O 3.08Å; L633-L645 HydrophobicContact CB-CB 4.25Å; L633-L645 PolarHBondContact N-O 3.29Å; L633-L645 PolarHBondContact O-N 3.29Å; V635-L645 HydrophobicContact CG2-CD1 3.78Å; V635-L645 HydrophobicContact CG2-CG 4.08Å; L645-D649 WeakPolarHBondContact CA-OD2 3.33Å; L645-D649 HydrophobicContact CB-CB 4.11Å; L645-D649 HydrophobicContact CD2-CB 4.25Å; L645-F651 HydrophobicContact CD1-CB 3.87Å; L645-F651 HydrophobicContact CD1-CD1 3.62Å; L645-F651 HydrophobicContact CD1-CD2 4.45Å; L645-F651 HydrophobicContact CD1-CE1 4.24Å; L645-F651 HydrophobicContact CD1-CG 3.74Å; L645-T706 HydrophobicContact CD2-CG2 3.64Å |
| 646 | G | 95.6 | Very high | 93.8 | Very high | 21 Ų | 21 | 42 Ų | 42 | 22% | 0.216 | 22% | 0.216 | C | C | . | . | trans | -114.5 | -173.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V628 G648 D649 | V628-G646 VanDerWaalsContact CB-O 3.26Å; V628-G646 WeakPolarHBondContact CB-O 3.42Å; V628-G646 VanDerWaalsContact CG1-O 3.28Å; V628-G646 WeakPolarHBondContact CG1-O 3.43Å; G646-G648 PolarHBondContact O-N 2.91Å; G646-D649 PolarHBondContact N-OD2 3.43Å; G646-D649 WeakPolarHBondContact O-CB 3.38Å; G646-D649 PolarHBondContact O-N 3Å; G646-D649 VanDerWaalsContact O-N 3.13Å | ||
| 647 | R | 94.7 | Very high | 93.5 | Very high | 153 Ų | 153 | 47.4 Ų | 47.4 | 58% | 0.577 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 129.1 | 172.9 | 169.8 | 176.1 | 165.3 | -152.7 | 0.7 | 111.2 | E585 V628 V629 | E585-R647 IonicContact OE1-CZ 2.7Å; E585-R647 IonicContact OE1-NE 3.66Å; E585-R647 IonicContact OE1-NH2 3.61Å; E585-R647 PolarHBondContact OE1-NH2 3.23Å; E585-R647 IonicContact OE2-CZ 3.32Å; E585-R647 IonicContact OE2-NE 2.72Å; E585-R647 PolarHBondContact OE2-NE 3.07Å; E585-R647 VanDerWaalsContact OE2-NE 3.13Å; E585-R647 IonicContact OE2-NH2 2.7Å; V628-R647 WeakPolarHBondContact O-CA 3.28Å; V629-R647 VanDerWaalsContact O-CD 3.31Å; V629-R647 WeakPolarHBondContact O-CD 3.26Å; V629-R647 VanDerWaalsContact O-CG 3.32Å; V629-R647 WeakPolarHBondContact O-CG 3.49Å |
| 648 | G | 92.2 | Very high | 93.1 | Very high | 30 Ų | 30 | 51.2 Ų | 51.2 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -2.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | H586 V628 G646 | H586-G648 PolarHBondContact CE1-O 2.69Å; H586-G648 PolarHBondContact ND1-O 3.39Å; V628-G648 PolarHBondContact O-N 2.94Å; G646-G648 PolarHBondContact O-N 2.91Å |
| 649 | D | 95.8 | Very high | 92.7 | Very high | 42 Ų | 42 | 51.2 Ų | 51.2 | 23% | 0.225 | 26% | 0.262 | C | S | . | . | trans | -86.6 | 157.2 | 175.5 | -74.8 | -46.6 | 0 | 0 | 0 | 113.7 | V628 L645 G646 T706 | V628-D649 HydrophobicContact CG2-CB 4.46Å; V628-D649 PolarHBondContact N-O 2.92Å; L645-D649 WeakPolarHBondContact CA-OD2 3.33Å; L645-D649 HydrophobicContact CB-CB 4.11Å; L645-D649 HydrophobicContact CD2-CB 4.25Å; G646-D649 PolarHBondContact N-OD2 3.43Å; G646-D649 WeakPolarHBondContact O-CB 3.38Å; G646-D649 PolarHBondContact O-N 3Å; G646-D649 VanDerWaalsContact O-N 3.13Å; D649-T706 WeakPolarHBondContact CA-OG1 3.3Å; D649-T706 HydrophobicContact CB-CG2 4.17Å; D649-T706 WeakPolarHBondContact CB-OG1 3.41Å; D649-T706 VanDerWaalsContact CG-OG1 3.32Å; D649-T706 WeakPolarHBondContact OD1-CB 3.37Å; D649-T706 WeakPolarHBondContact OD1-CG2 3.19Å; D649-T706 PolarHBondContact OD1-OG1 2.82Å | ||
| 650 | V | 95.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 132.7 | 179.8 | -164.1 | 0 | 0 | 0 | 0 | 110.6 | H586 L625 C626 F627 L703 L705 T706 Y707 | H586-V650 WeakPolarHBondContact CE1-CG2 3.43Å; H586-V650 WeakPolarHBondContact ND1-CG2 3.32Å; L625-V650 HydrophobicContact CD1-CG1 3.77Å; L625-V650 HydrophobicContact CG-CG1 4.24Å; C626-V650 WeakPolarHBondContact O-CA 3.48Å; C626-V650 WeakPolarHBondContact O-CG1 3.4Å; F627-V650 HydrophobicContact CD1-CB 4.3Å; F627-V650 HydrophobicContact CD1-CG1 3.81Å; F627-V650 HydrophobicContact CD1-CG2 3.5Å; F627-V650 HydrophobicContact CD2-CG1 4.43Å; F627-V650 HydrophobicContact CE1-CB 4.46Å; F627-V650 HydrophobicContact CE1-CG1 3.75Å; F627-V650 HydrophobicContact CE1-CG2 3.77Å; F627-V650 HydrophobicContact CE2-CG1 4.39Å; F627-V650 HydrophobicContact CG-CG1 4.15Å; F627-V650 HydrophobicContact CG-CG2 4.36Å; F627-V650 HydrophobicContact CZ-CG1 4.06Å; V650-L703 HydrophobicContact CB-CD1 4.42Å; V650-L703 HydrophobicContact CG1-CD1 4.25Å; V650-L703 HydrophobicContact CG2-CD1 4.05Å; V650-L705 HydrophobicContact CB-CD2 4.16Å; V650-L705 HydrophobicContact CG1-CD2 3.73Å; V650-T706 PolarHBondContact N-OG1 3.08Å; V650-T706 PolarHBondContact O-N 3.28Å; V650-Y707 PolarHBondContact O-N 3.1Å |
| 651 | F | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.5 | 179.6 | 65.8 | -79.2 | 0 | 0 | 0 | 112.3 | I615 F616 C626 V628 L633 L645 V669 L677 Y707 L709 | I615-F651 HydrophobicContact CG2-CE2 4.07Å; I615-F651 HydrophobicContact CG2-CZ 4.14Å; F616-F651 HydrophobicContact CD2-CD2 4.26Å; F616-F651 AromaticContact CD2-CE2 3.88Å; F616-F651 HydrophobicContact CD2-CE2 3.88Å; F616-F651 HydrophobicContact CE2-CD2 4.16Å; F616-F651 AromaticContact CE2-CE2 3.85Å; F616-F651 HydrophobicContact CE2-CE2 3.85Å; C626-F651 HydrophobicContact CB-CD1 3.91Å; C626-F651 HydrophobicContact CB-CD2 4.1Å; C626-F651 HydrophobicContact CB-CE1 3.47Å; C626-F651 VanDerWaalsContact CB-CE1 3.47Å; C626-F651 HydrophobicContact CB-CE2 3.69Å; C626-F651 HydrophobicContact CB-CG 4.21Å; C626-F651 HydrophobicContact CB-CZ 3.37Å; C626-F651 PolarHBondContact N-O 3.18Å; C626-F651 PolarHBondContact O-N 3.28Å; V628-F651 HydrophobicContact CG2-CD1 4.03Å; V628-F651 HydrophobicContact CG2-CE1 3.68Å; L633-F651 HydrophobicContact CD2-CE1 3.87Å; L633-F651 HydrophobicContact CD2-CZ 3.76Å; L645-F651 HydrophobicContact CD1-CB 3.87Å; L645-F651 HydrophobicContact CD1-CD1 3.62Å; L645-F651 HydrophobicContact CD1-CD2 4.45Å; L645-F651 HydrophobicContact CD1-CE1 4.24Å; L645-F651 HydrophobicContact CD1-CG 3.74Å; F651-V669 HydrophobicContact CD2-CG1 4.5Å; F651-V669 HydrophobicContact CD2-CG2 4.32Å; F651-V669 HydrophobicContact CE2-CG1 3.99Å; F651-V669 HydrophobicContact CE2-CG2 4.35Å; F651-V669 HydrophobicContact CZ-CG1 4.33Å; F651-L677 HydrophobicContact CE1-CD2 4.24Å; F651-L677 HydrophobicContact CZ-CD1 4.31Å; F651-L677 HydrophobicContact CZ-CD2 4.43Å; F651-Y707 WeakPolarHBondContact CA-O 3.47Å; F651-L709 HydrophobicContact CD2-CD1 4.22Å |
| 652 | G | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.7 | -148.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D708 L709 | G652-D708 WeakPolarHBondContact O-CA 3.31Å; G652-L709 PolarHBondContact O-N 3.01Å |
| 653 | E | 92.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | trans | -116.5 | 145.2 | 168.3 | -178.8 | -171.4 | 172.4 | 0 | 0 | 109.5 | I622 F655 N663 K710 | I622-E653 HydrophobicContact CD1-CB 4.26Å; I622-E653 HydrophobicContact CG2-CB 4.09Å; E653-F655 HydrophobicContact CB-CD1 3.86Å; E653-F655 HydrophobicContact CB-CE1 3.71Å; E653-F655 HydrophobicContact CG-CD1 4.26Å; E653-F655 PolarHBondContact O-N 3.27Å; E653-N663 PolarHBondContact OE1-ND2 3Å; E653-N663 WeakPolarHBondContact OE2-CB 3.24Å; E653-N663 PolarHBondContact OE2-ND2 3.04Å; E653-K710 HydrophobicContact CG-CB 4.28Å; E653-K710 HydrophobicContact CG-CD 3.94Å; E653-K710 WeakPolarHBondContact OE1-CD 3.43Å; E653-K710 IonicContact OE1-NZ 2.8Å; E653-K710 PolarHBondContact OE1-NZ 3.44Å | ||
| 654 | P | 92.7 | Very high | 91.4 | Very high | 7 Ų | 7 | 55 Ų | 55 | 5% | 0.045 | 28% | 0.279 | C | S | . | . | trans | -73.1 | 70.8 | 171.5 | 32.4 | -37.6 | 0 | 0 | 0 | 112.2 | W656 K657 L705 D708 | P654-W656 HydrophobicContact CB-CD2 4.48Å; P654-W656 HydrophobicContact CB-CH2 3.88Å; P654-W656 HydrophobicContact CB-CZ2 3.67Å; P654-W656 HydrophobicContact CB-CZ3 4.37Å; P654-W656 PolarHBondContact O-N 3.11Å; P654-K657 HydrophobicContact CB-CD 4.02Å; P654-K657 HydrophobicContact CB-CG 4.21Å; P654-K657 HydrophobicContact CG-CD 3.77Å; P654-K657 HydrophobicContact CG-CG 4.36Å; P654-K657 WeakPolarHBondContact O-CB 3.44Å; P654-K657 PolarHBondContact O-N 3.22Å; P654-L705 HydrophobicContact CB-CD1 4.34Å; P654-L705 HydrophobicContact CG-CD1 4.47Å; P654-D708 WeakPolarHBondContact CD-OD2 3.12Å | ||
| 655 | F | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -22.6 | -170.9 | -58.9 | -46.6 | 0 | 0 | 0 | 116.9 | I622 L625 E653 K657 P659 K682 L685 L686 | I622-F655 HydrophobicContact CG2-CE1 4.12Å; I622-F655 HydrophobicContact CG2-CZ 4.12Å; I622-F655 WeakPolarHBondContact O-CE1 3.48Å; I622-F655 WeakPolarHBondContact O-CZ 3.37Å; L625-F655 HydrophobicContact CB-CE2 3.91Å; E653-F655 HydrophobicContact CB-CD1 3.86Å; E653-F655 HydrophobicContact CB-CE1 3.71Å; E653-F655 HydrophobicContact CG-CD1 4.26Å; E653-F655 PolarHBondContact O-N 3.27Å; F655-K657 VanDerWaalsContact C-N 3.33Å; F655-P659 WeakPolarHBondContact O-CA 3.42Å; F655-K682 HydrophobicContact CB-CD 4.49Å; F655-K682 HydrophobicContact CB-CG 4.06Å; F655-K682 HydrophobicContact CD1-CB 4.28Å; F655-K682 HydrophobicContact CD1-CD 3.73Å; F655-K682 HydrophobicContact CD1-CG 3.87Å; F655-K682 HydrophobicContact CD2-CB 3.84Å; F655-K682 HydrophobicContact CD2-CG 3.91Å; F655-K682 HydrophobicContact CE1-CB 4.21Å; F655-K682 HydrophobicContact CE1-CD 4.03Å; F655-K682 HydrophobicContact CE1-CG 4.24Å; F655-K682 HydrophobicContact CE2-CB 3.76Å; F655-K682 HydrophobicContact CE2-CG 4.28Å; F655-K682 HydrophobicContact CG-CB 4.11Å; F655-K682 HydrophobicContact CG-CD 4.07Å; F655-K682 HydrophobicContact CG-CG 3.7Å; F655-K682 HydrophobicContact CZ-CB 3.95Å; F655-K682 HydrophobicContact CZ-CG 4.44Å; F655-L685 HydrophobicContact CD2-CD2 4.32Å; F655-L686 HydrophobicContact CB-CD2 4.44Å |
| 656 | W | 89.8 | Confident | 91.2 | Very high | 48 Ų | 48 | 49.6 Ų | 49.6 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -15 | 178.6 | 55.8 | 91.4 | 0 | 0 | 0 | 113.7 | P654 L689 F699 A700 L703 | P654-W656 HydrophobicContact CB-CD2 4.48Å; P654-W656 HydrophobicContact CB-CH2 3.88Å; P654-W656 HydrophobicContact CB-CZ2 3.67Å; P654-W656 HydrophobicContact CB-CZ3 4.37Å; P654-W656 PolarHBondContact O-N 3.11Å; W656-L689 HydrophobicContact CB-CD1 4.35Å; W656-F699 HydrophobicContact CD2-CE1 4.44Å; W656-F699 HydrophobicContact CE3-CD1 4.33Å; W656-F699 AromaticContact CE3-CE1 3.81Å; W656-F699 HydrophobicContact CE3-CE1 3.81Å; W656-F699 HydrophobicContact CH2-CE1 4.16Å; W656-F699 HydrophobicContact CZ3-CD1 4.44Å; W656-F699 AromaticContact CZ3-CE1 3.66Å; W656-F699 HydrophobicContact CZ3-CE1 3.66Å; W656-F699 HydrophobicContact CZ3-CZ 4.43Å; W656-A700 VanDerWaalsContact CD1-CB 3.42Å; W656-A700 HydrophobicContact CG-CB 4.28Å; W656-A700 VanDerWaalsContact NE1-CB 3.35Å; W656-L703 HydrophobicContact CH2-CB 4.44Å; W656-L703 HydrophobicContact CH2-CD2 3.6Å; W656-L703 HydrophobicContact CH2-CG 4.15Å; W656-L703 HydrophobicContact CZ2-CD2 4.48Å; W656-L703 HydrophobicContact CZ3-CD2 4.08Å |
| 657 | K | 88.4 | Confident | 91.2 | Very high | 139 Ų | 139 | 48.6 Ų | 48.6 | 60% | 0.604 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -51.3 | 173.3 | -63.8 | -176.9 | -171.8 | 169.4 | 0 | 111.2 | P654 F655 P659 | P654-K657 HydrophobicContact CB-CD 4.02Å; P654-K657 HydrophobicContact CB-CG 4.21Å; P654-K657 HydrophobicContact CG-CD 3.77Å; P654-K657 HydrophobicContact CG-CG 4.36Å; P654-K657 WeakPolarHBondContact O-CB 3.44Å; P654-K657 PolarHBondContact O-N 3.22Å; F655-K657 VanDerWaalsContact C-N 3.33Å; K657-P659 VanDerWaalsContact C-CD 3.48Å; K657-P659 WeakPolarHBondContact O-CD 3.42Å |
| 658 | D | 87.4 | Confident | 91.3 | Very high | 79 Ų | 79 | 42.6 Ų | 42.6 | 42% | 0.422 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -121.9 | 67.3 | -178.1 | -57.1 | -49.5 | 0 | 0 | 0 | 112.5 | N660 S661 K710 | D658-N660 PolarHBondContact O-N 2.83Å; D658-S661 VanDerWaalsContact CB-OG 3.23Å; D658-S661 WeakPolarHBondContact CB-OG 3.49Å; D658-S661 PolarHBondContact O-N 2.88Å; D658-S661 VanDerWaalsContact O-N 3.16Å; D658-S661 PolarHBondContact O-OG 2.61Å; D658-K710 IonicContact OD2-NZ 3.11Å; D658-K710 PolarHBondContact OD2-NZ 3Å |
| 659 | P | 82 | Confident | 91.5 | Very high | 45 Ų | 45 | 41.1 Ų | 41.1 | 29% | 0.292 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -32 | -171 | -28 | 35.6 | 0 | 0 | 0 | 114.9 | F655 K657 K682 L686 | F655-P659 WeakPolarHBondContact O-CA 3.42Å; K657-P659 VanDerWaalsContact C-CD 3.48Å; K657-P659 WeakPolarHBondContact O-CD 3.42Å; P659-K682 VanDerWaalsContact O-CE 3.24Å; P659-K682 WeakPolarHBondContact O-CE 3.46Å; P659-K682 PolarHBondContact O-NZ 3.12Å; P659-L686 HydrophobicContact CB-CD1 4.13Å; P659-L686 HydrophobicContact CB-CD2 4.41Å |
| 660 | N | 82.8 | Confident | 91.5 | Very high | 166 Ų | 166 | 43.4 Ų | 43.4 | 89% | 0.888 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -14.2 | -172.6 | -62.6 | -9 | 0 | 0 | 0 | 113.9 | D658 | D658-N660 PolarHBondContact O-N 2.83Š|
| 661 | S | 84.4 | Confident | 91.4 | Very high | 40 Ų | 40 | 43.4 Ų | 43.4 | 28% | 0.28 | 22% | 0.218 | S | C | . | . | trans | -92.8 | 139 | 176.6 | 62 | 0 | 0 | 0 | 0 | 111.4 | D658 N663 K682 | D658-S661 VanDerWaalsContact CB-OG 3.23Å; D658-S661 WeakPolarHBondContact CB-OG 3.49Å; D658-S661 PolarHBondContact O-N 2.88Å; D658-S661 VanDerWaalsContact O-N 3.16Å; D658-S661 PolarHBondContact O-OG 2.61Å; S661-N663 PolarHBondContact OG-ND2 3.37Å; S661-K682 PolarHBondContact O-NZ 3.43Å | ||
| 662 | M | 85.8 | Confident | 91.3 | Very high | 89 Ų | 89 | 47 Ų | 47 | 44% | 0.438 | 24% | 0.237 | S | C | . | . | trans | -102.7 | 121.1 | 160.4 | -166.4 | 70.6 | 93.4 | 0 | 0 | 107.1 | I622 D623 K682 | I622-M662 VanDerWaalsContact O-SD 3.38Å; D623-M662 HydrophobicContact CB-CE 4.17Å; M662-K682 HydrophobicContact CE-CD 4.38Å; M662-K682 HydrophobicContact SD-CD 4.08Å | ||
| 663 | N | 90.6 | Very high | 91.2 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 20% | 0.198 | 25% | 0.254 | C | S | . | . | trans | -104.6 | 159.8 | -178 | -60.8 | -85.1 | 0 | 0 | 0 | 111.1 | I622 E653 S661 K710 | I622-N663 PolarHBondContact N-O 2.74Å; E653-N663 PolarHBondContact OE1-ND2 3Å; E653-N663 WeakPolarHBondContact OE2-CB 3.24Å; E653-N663 PolarHBondContact OE2-ND2 3.04Å; S661-N663 PolarHBondContact OG-ND2 3.37Å; N663-K710 HydrophobicContact CB-CD 4.16Å; N663-K710 HydrophobicContact CB-CG 3.98Å; N663-K710 VanDerWaalsContact CG-CE 3.43Å; N663-K710 WeakPolarHBondContact ND2-CE 3.32Å; N663-K710 PolarHBondContact ND2-NZ 2.91Å; N663-K710 VanDerWaalsContact ND2-NZ 3.14Å; N663-K710 WeakPolarHBondContact OD1-CE 3.46Å | ||
| 664 | H | 93.4 | Very high | 91.1 | Very high | 125 Ų | 125 | 55.9 Ų | 55.9 | 58% | 0.579 | 28% | 0.278 | S | S | * | . | B | Isolated β-bridge | trans | -96.9 | 144.3 | -179.1 | -64.7 | -110.4 | 0 | 0 | 0 | 110.1 | G619 E620 A666 | G619-H664 PolarHBondContact O-ND1 2.87Å; E620-H664 CarbonylContact O-C 3.58Å; E620-H664 VanDerWaalsContact O-CA 3.26Å; E620-H664 WeakPolarHBondContact O-CA 3.47Å; H664-A666 PolarHBondContact O-N 2.87Å |
| 665 | S | 95.1 | Very high | 91 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | trans | -67.6 | 122.7 | 176.8 | -169.2 | 0 | 0 | 0 | 0 | 110.8 | G619 E620 A667 | G619-S665 PolarHBondContact N-O 2.87Å; E620-S665 PolarHBondContact O-N 2.76Å; S665-A667 PolarHBondContact O-N 3.01Å; S665-A667 PolarHBondContact OG-O 2.84Å | ||
| 666 | A | 94.2 | Very high | 91 | Very high | 14 Ų | 14 | 57.5 Ų | 57.5 | 12% | 0.116 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -71.4 | -17.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q618 Q637 H664 L709 R712 | Q618-A666 WeakPolarHBondContact CG-O 3.32Å; Q618-A666 PolarHBondContact NE2-O 3.45Å; Q637-A666 WeakPolarHBondContact CG-O 3.32Å; H664-A666 PolarHBondContact O-N 2.87Å; A666-L709 WeakPolarHBondContact CB-O 3.25Å; A666-L709 PolarHBondContact N-O 3.08Å; A666-R712 HydrophobicContact CB-CB 3.75Å; A666-R712 HydrophobicContact CB-CG 4.34Å |
| 667 | A | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -138.1 | 166.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q618 V635 I636 Q637 S665 Y707 | Q618-A667 PolarHBondContact N-O 3.15Å; V635-A667 HydrophobicContact CG1-CB 3.63Å; I636-A667 WeakPolarHBondContact O-CA 3.48Å; I636-A667 WeakPolarHBondContact O-CB 3.45Å; Q637-A667 HydrophobicContact CB-CB 4.06Å; Q637-A667 HydrophobicContact CG-CB 4.17Å; S665-A667 PolarHBondContact O-N 3.01Å; S665-A667 PolarHBondContact OG-O 2.84Å; A667-Y707 HydrophobicContact CB-CE1 4.48Å |
| 668 | T | 96.4 | Very high | 91.6 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 17% | 0.166 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 140.3 | 172 | -60.2 | 0 | 0 | 0 | 0 | 109.5 | L614 F616 Q618 V635 I636 | L614-T668 HydrophobicContact CD1-CG2 4.42Å; L614-T668 HydrophobicContact CD2-CG2 3.88Å; F616-T668 CarbonylContact O-C 3.58Å; F616-T668 VanDerWaalsContact O-CA 3.29Å; F616-T668 WeakPolarHBondContact O-CA 3.43Å; F616-T668 WeakPolarHBondContact O-CG2 3.42Å; Q618-T668 WeakPolarHBondContact CB-OG1 3.37Å; Q618-T668 PolarHBondContact N-OG1 3.48Å; V635-T668 WeakPolarHBondContact CA-O 3.35Å; I636-T668 PolarHBondContact N-O 3.48Å; I636-T668 PolarHBondContact O-N 3.39Å |
| 669 | V | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.7 | 177.1 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | L614 I615 F616 L633 V635 F651 L709 | L614-V669 WeakPolarHBondContact CA-O 3.46Å; I615-V669 HydrophobicContact CB-CB 4.4Å; I615-V669 HydrophobicContact CB-CG1 4.39Å; I615-V669 HydrophobicContact CD1-CG1 4.21Å; I615-V669 PolarHBondContact N-O 3.11Å; F616-V669 HydrophobicContact CB-CG2 4.3Å; F616-V669 HydrophobicContact CD2-CG2 4.41Å; F616-V669 PolarHBondContact O-N 3.2Å; L633-V669 HydrophobicContact CB-CG1 4.44Å; L633-V669 HydrophobicContact CD2-CG1 3.8Å; V635-V669 HydrophobicContact CG1-CG2 4.43Å; V635-V669 HydrophobicContact CG2-CG2 4.36Å; F651-V669 HydrophobicContact CD2-CG1 4.5Å; F651-V669 HydrophobicContact CD2-CG2 4.32Å; F651-V669 HydrophobicContact CE2-CG1 3.99Å; F651-V669 HydrophobicContact CE2-CG2 4.35Å; F651-V669 HydrophobicContact CZ-CG1 4.33Å; V669-L709 HydrophobicContact CG2-CD1 4.43Å; V669-L709 HydrophobicContact CG2-CD2 3.69Å |
| 670 | R | 95.4 | Very high | 92.7 | Very high | 90 Ų | 90 | 43.3 Ų | 43.3 | 34% | 0.34 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138.3 | -178.4 | -175.1 | 164.8 | 69.8 | -155.5 | -2 | 111.7 | D613 L614 L633 E634 I636 | D613-R670 CarbonylContact O-C 3.56Å; D613-R670 VanDerWaalsContact O-CA 3.29Å; D613-R670 WeakPolarHBondContact O-CA 3.39Å; L614-R670 HydrophobicContact CD2-CB 3.64Å; L614-R670 HydrophobicContact CD2-CG 3.74Å; L633-R670 CarbonylContact C-O 3.53Å; L633-R670 VanDerWaalsContact CA-O 3.28Å; L633-R670 WeakPolarHBondContact CA-O 3.44Å; L633-R670 WeakPolarHBondContact CB-O 3.49Å; E634-R670 VanDerWaalsContact CD-NH2 3.25Å; E634-R670 HydrophobicContact CG-CB 3.93Å; E634-R670 PolarHBondContact N-O 2.82Å; E634-R670 PolarHBondContact O-N 2.94Å; E634-R670 IonicContact OE1-CZ 2.69Å; E634-R670 IonicContact OE1-NE 3.26Å; E634-R670 PolarHBondContact OE1-NE 2.88Å; E634-R670 IonicContact OE1-NH2 2.79Å; E634-R670 PolarHBondContact OE1-NH2 2.93Å; E634-R670 IonicContact OE2-NH2 2.7Å; E634-R670 PolarHBondContact OE2-NH2 3.26Å; I636-R670 HydrophobicContact CD1-CB 4.28Å; I636-R670 VanDerWaalsContact CD1-CZ 3.45Å |
| 671 | A | 95 | Very high | 93.3 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 133.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A610 G612 D613 I615 | A610-A671 WeakPolarHBondContact O-CB 3.31Å; G612-A671 PolarHBondContact N-O 3.29Å; D613-A671 PolarHBondContact O-N 3.1Å; I615-A671 HydrophobicContact CD1-CB 4.34Å |
| 672 | L | 94.1 | Very high | 93.8 | Very high | 77 Ų | 77 | 38.4 Ų | 38.4 | 40% | 0.403 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -92.6 | -32.9 | 174 | -68.5 | 168.3 | 0 | 0 | 0 | 112 | S632 E634 F644 | S632-L672 WeakPolarHBondContact O-CB 3.48Å; S632-L672 PolarHBondContact O-N 2.91Å; E634-L672 HydrophobicContact CB-CD1 4.24Å; E634-L672 HydrophobicContact CB-CD2 4.49Å; E634-L672 HydrophobicContact CB-CG 4.31Å; E634-L672 HydrophobicContact CG-CD2 4.15Å; E634-L672 HydrophobicContact CG-CG 4.25Å; E634-L672 WeakPolarHBondContact OE1-CD2 3.49Å; F644-L672 HydrophobicContact CD1-CD1 3.86Å; F644-L672 HydrophobicContact CE1-CD1 3.99Å |
| 673 | T | 91.9 | Very high | 94.1 | Very high | 57 Ų | 57 | 39.9 Ų | 39.9 | 35% | 0.35 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -119.4 | -178.1 | 176.6 | 63.8 | 0 | 0 | 0 | 0 | 109.7 | G631 S632 C675 | G631-T673 WeakPolarHBondContact CA-OG1 3.34Å; S632-T673 PolarHBondContact N-OG1 3.19Å; S632-T673 PolarHBondContact O-N 3.01Å; T673-C675 PolarHBondContact O-N 3.24Å; T673-C675 PolarHBondContact O-SG 3.42Å; T673-C675 PolarHBondContact OG1-SG 3.1Å; T673-C675 VanDerWaalsContact OG1-SG 3.39Å |
| 674 | Y | 89.4 | Confident | 94.3 | Very high | 129 Ų | 129 | 39.9 Ų | 39.9 | 51% | 0.506 | 20% | 0.196 | S | C | . | . | trans | -58.7 | 129.9 | 153.8 | -65.4 | -79 | 0 | 0 | 0 | 108.5 | T609 A610 P611 G631 | T609-Y674 VanDerWaalsContact O-CA 3.3Å; T609-Y674 WeakPolarHBondContact O-CA 3.49Å; A610-Y674 HydrophobicContact CB-CD1 4.21Å; A610-Y674 HydrophobicContact CB-CE1 3.82Å; P611-Y674 HydrophobicContact CG-CD2 4.17Å; P611-Y674 HydrophobicContact CG-CE2 4.06Å; G631-Y674 WeakPolarHBondContact CA-O 3.4Å | ||
| 675 | C | 91.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.3 | -176.4 | -53.4 | 0 | 0 | 0 | 0 | 112.3 | T609 S630 S632 L633 T673 | T609-C675 PolarHBondContact N-O 3.45Å; T609-C675 VanDerWaalsContact N-O 3.15Å; T609-C675 PolarHBondContact O-N 3.02Å; T609-C675 VanDerWaalsContact O-N 3.09Å; T609-C675 WeakPolarHBondContact OG1-CB 3.07Å; T609-C675 PolarHBondContact OG1-O 3.3Å; T609-C675 VanDerWaalsContact OG1-O 3.14Å; S630-C675 WeakPolarHBondContact O-CA 3.26Å; S632-C675 PolarHBondContact N-SG 3.3Å; S632-C675 VanDerWaalsContact N-SG 3.4Å; S632-C675 PolarHBondContact O-SG 3.42Å; L633-C675 HydrophobicContact CD1-CB 4.16Å; T673-C675 PolarHBondContact O-N 3.24Å; T673-C675 PolarHBondContact O-SG 3.42Å; T673-C675 PolarHBondContact OG1-SG 3.1Å; T673-C675 VanDerWaalsContact OG1-SG 3.39Å |
| 676 | D | 92.2 | Very high | 94.4 | Very high | 42 Ų | 42 | 34.4 Ų | 34.4 | 23% | 0.225 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 110.9 | -179.4 | -64.9 | 38.4 | 0 | 0 | 0 | 108.5 | H608 V629 S630 | H608-D676 IonicContact CE1-OD1 3.27Å; H608-D676 PolarHBondContact CE1-OD1 3.3Å; H608-D676 IonicContact CE1-OD2 2.79Å; H608-D676 PolarHBondContact CE1-OD2 2.9Å; H608-D676 VanDerWaalsContact CE1-OD2 3.25Å; H608-D676 IonicContact NE2-OD1 3.87Å; V629-D676 HydrophobicContact CB-CB 4.32Å; V629-D676 PolarHBondContact N-O 2.98Å; S630-D676 PolarHBondContact N-O 2.94Å; S630-D676 PolarHBondContact O-N 2.94Å |
| 677 | L | 94.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.8 | -175 | -56.6 | 179.9 | 0 | 0 | 0 | 110 | T606 I607 T609 I615 V628 L633 F651 | T606-L677 CarbonylContact C-O 3.59Å; T606-L677 WeakPolarHBondContact CA-O 3.43Å; I607-L677 HydrophobicContact CB-CB 4.4Å; I607-L677 PolarHBondContact N-O 3.07Å; I607-L677 PolarHBondContact O-N 2.96Å; T609-L677 HydrophobicContact CG2-CD1 4.27Å; I615-L677 HydrophobicContact CD1-CD1 3.65Å; I615-L677 HydrophobicContact CG1-CD1 3.9Å; I615-L677 HydrophobicContact CG2-CD1 4.02Å; V628-L677 HydrophobicContact CB-CD2 4.36Å; V628-L677 HydrophobicContact CG1-CD2 4.39Å; V628-L677 HydrophobicContact CG2-CD2 3.95Å; L633-L677 HydrophobicContact CD1-CD2 4.24Å; L633-L677 HydrophobicContact CD2-CD1 4.43Å; L633-L677 HydrophobicContact CD2-CD2 4.12Å; F651-L677 HydrophobicContact CE1-CD2 4.24Å; F651-L677 HydrophobicContact CZ-CD1 4.31Å; F651-L677 HydrophobicContact CZ-CD2 4.43Å |
| 678 | H | 95.7 | Very high | 94.4 | Very high | 9 Ų | 9 | 40 Ų | 40 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 113.7 | 173.1 | -77.8 | -120.7 | 0 | 0 | 0 | 108.4 | L578 N579 V582 F604 T606 F627 V629 | L578-H678 PolarHBondContact O-CE1 2.99Å; N579-H678 PolarHBondContact OD1-ND1 3.31Å; V582-H678 HydrophobicContact CG2-CB 3.53Å; F604-H678 HydrophobicContact CD1-CB 4.24Å; F604-H678 HydrophobicContact CE1-CB 4.49Å; T606-H678 PolarHBondContact OG1-CE1 3.4Å; T606-H678 PolarHBondContact OG1-ND1 3.3Å; T606-H678 PolarHBondContact OG1-NE2 3.09Å; F627-H678 HydrophobicContact CB-CB 4.43Å; F627-H678 WeakPolarHBondContact CD2-O 3.43Å; F627-H678 PolarHBondContact N-O 2.99Å; F627-H678 PolarHBondContact O-N 2.88Å; V629-H678 HydrophobicContact CG2-CB 4.21Å; V629-H678 WeakPolarHBondContact CG2-CD2 3.46Å |
| 679 | C | 96 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.3 | -167.7 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | N605 I607 L625 C626 | N605-C679 PolarHBondContact N-O 2.75Å; N605-C679 PolarHBondContact O-N 3.38Å; I607-C679 HydrophobicContact CD1-CB 4.12Å; L625-C679 WeakPolarHBondContact O-CA 3.45Å; C626-C679 PolarHBondContact SG-SG 3.15Å |
| 680 | I | 96.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.6 | 174 | -172.1 | 167.2 | 0 | 0 | 0 | 110.5 | L600 N603 F604 Q624 L625 F627 L685 | L600-I680 HydrophobicContact CD2-CD1 3.99Å; N603-I680 HydrophobicContact CB-CD1 4.21Å; N603-I680 HydrophobicContact CB-CG1 4.42Å; F604-I680 HydrophobicContact CD1-CB 3.9Å; F604-I680 HydrophobicContact CD1-CG2 4.46Å; F604-I680 HydrophobicContact CD2-CB 4.44Å; F604-I680 HydrophobicContact CD2-CD1 4.11Å; F604-I680 HydrophobicContact CE1-CB 3.78Å; F604-I680 HydrophobicContact CE1-CG2 3.83Å; F604-I680 HydrophobicContact CE2-CB 4.33Å; F604-I680 HydrophobicContact CE2-CD1 3.99Å; F604-I680 HydrophobicContact CE2-CG2 4.47Å; F604-I680 HydrophobicContact CG-CB 4.23Å; F604-I680 HydrophobicContact CZ-CB 4.02Å; F604-I680 HydrophobicContact CZ-CD1 4.42Å; F604-I680 HydrophobicContact CZ-CG2 3.84Å; Q624-I680 WeakPolarHBondContact CA-O 3.26Å; L625-I680 HydrophobicContact CB-CG2 4.09Å; L625-I680 HydrophobicContact CD2-CG2 4.35Å; L625-I680 PolarHBondContact N-O 2.93Å; L625-I680 PolarHBondContact O-N 2.92Å; F627-I680 HydrophobicContact CE2-CG2 4.26Å; I680-L685 HydrophobicContact CD1-CB 4.12Å; I680-L685 HydrophobicContact CD1-CD1 4.25Å; I680-L685 HydrophobicContact CG1-CB 4.17Å; I680-L685 HydrophobicContact CG2-CB 4.48Å; I680-L685 HydrophobicContact CG2-CD2 4.34Å |
| 681 | K | 95.3 | Very high | 94.2 | Very high | 91 Ų | 91 | 48.6 Ų | 48.6 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 143.9 | 179.8 | -75.1 | -174.8 | 174.2 | -84.6 | 0 | 111.7 | D623 D683 C684 L685 | D623-K681 IonicContact OD2-NZ 3.53Å; D623-K681 PolarHBondContact OD2-NZ 2.87Å; K681-D683 PolarHBondContact O-N 3.27Å; K681-C684 PolarHBondContact O-N 3.36Å; K681-L685 PolarHBondContact O-N 2.76Å |
| 682 | K | 94.1 | Very high | 94.2 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -48.2 | -52.1 | -179 | 176.6 | 177.7 | 176.6 | -165.3 | 0 | 112.7 | D623 F655 P659 S661 M662 C684 L685 L686 | D623-K682 VanDerWaalsContact O-CB 3.25Å; D623-K682 WeakPolarHBondContact O-CB 3.49Å; D623-K682 PolarHBondContact O-N 3.34Å; F655-K682 HydrophobicContact CB-CD 4.49Å; F655-K682 HydrophobicContact CB-CG 4.06Å; F655-K682 HydrophobicContact CD1-CB 4.28Å; F655-K682 HydrophobicContact CD1-CD 3.73Å; F655-K682 HydrophobicContact CD1-CG 3.87Å; F655-K682 HydrophobicContact CD2-CB 3.84Å; F655-K682 HydrophobicContact CD2-CG 3.91Å; F655-K682 HydrophobicContact CE1-CB 4.21Å; F655-K682 HydrophobicContact CE1-CD 4.03Å; F655-K682 HydrophobicContact CE1-CG 4.24Å; F655-K682 HydrophobicContact CE2-CB 3.76Å; F655-K682 HydrophobicContact CE2-CG 4.28Å; F655-K682 HydrophobicContact CG-CB 4.11Å; F655-K682 HydrophobicContact CG-CD 4.07Å; F655-K682 HydrophobicContact CG-CG 3.7Å; F655-K682 HydrophobicContact CZ-CB 3.95Å; F655-K682 HydrophobicContact CZ-CG 4.44Å; P659-K682 VanDerWaalsContact O-CE 3.24Å; P659-K682 WeakPolarHBondContact O-CE 3.46Å; P659-K682 PolarHBondContact O-NZ 3.12Å; S661-K682 PolarHBondContact O-NZ 3.43Å; M662-K682 HydrophobicContact CE-CD 4.38Å; M662-K682 HydrophobicContact SD-CD 4.08Å; K682-C684 PolarHBondContact O-N 2.78Å; K682-L685 PolarHBondContact O-N 3.32Å; K682-L686 HydrophobicContact CD-CD1 4.44Å; K682-L686 HydrophobicContact CG-CD1 3.78Å; K682-L686 HydrophobicContact CG-CG 4.39Å; K682-L686 WeakPolarHBondContact O-CB 3.37Å; K682-L686 VanDerWaalsContact O-CG 3.3Å; K682-L686 WeakPolarHBondContact O-CG 3.32Å; K682-L686 PolarHBondContact O-N 3.16Å |
| 683 | D | 93.6 | Very high | 94.1 | Very high | 121 Ų | 121 | 51.6 Ų | 51.6 | 65% | 0.647 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.9 | -40.7 | -175.5 | -65.2 | -51.7 | 0 | 0 | 0 | 112.8 | K681 Q687 | K681-D683 PolarHBondContact O-N 3.27Å; D683-Q687 VanDerWaalsContact O-CB 3.27Å; D683-Q687 WeakPolarHBondContact O-CB 3.27Å; D683-Q687 PolarHBondContact O-N 3.4Å |
| 684 | C | 94.9 | Very high | 94.1 | Very high | 36 Ų | 36 | 53 Ų | 53 | 24% | 0.243 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.4 | -47.3 | 175.7 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | N603 K681 K682 Q687 V688 | N603-C684 HydrophobicContact CB-CB 3.8Å; N603-C684 PolarHBondContact OD1-SG 2.94Å; K681-C684 PolarHBondContact O-N 3.36Å; K682-C684 PolarHBondContact O-N 2.78Å; C684-Q687 PolarHBondContact O-N 3.49Å; C684-V688 WeakPolarHBondContact O-CG2 3.35Å; C684-V688 PolarHBondContact O-N 3.18Å |
| 685 | L | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -49.2 | 176.5 | 179.7 | 60 | 0 | 0 | 0 | 110.8 | L600 L625 F655 I680 K681 K682 Q687 V688 L689 F699 | L600-L685 HydrophobicContact CD2-CD1 3.99Å; L625-L685 HydrophobicContact CD2-CD2 3.81Å; F655-L685 HydrophobicContact CD2-CD2 4.32Å; I680-L685 HydrophobicContact CD1-CB 4.12Å; I680-L685 HydrophobicContact CD1-CD1 4.25Å; I680-L685 HydrophobicContact CG1-CB 4.17Å; I680-L685 HydrophobicContact CG2-CB 4.48Å; I680-L685 HydrophobicContact CG2-CD2 4.34Å; K681-L685 PolarHBondContact O-N 2.76Å; K682-L685 PolarHBondContact O-N 3.32Å; L685-Q687 VanDerWaalsContact C-N 3.31Å; L685-Q687 PolarHBondContact O-N 3.04Å; L685-V688 PolarHBondContact O-N 3.12Å; L685-L689 HydrophobicContact CD1-CD1 3.92Å; L685-L689 HydrophobicContact CD1-CD2 4.43Å; L685-L689 HydrophobicContact CD1-CG 3.98Å; L685-L689 HydrophobicContact CD2-CD1 4.48Å; L685-L689 HydrophobicContact CG-CD1 3.79Å; L685-L689 HydrophobicContact CG-CG 4.27Å; L685-L689 WeakPolarHBondContact O-CB 3.34Å; L685-L689 VanDerWaalsContact O-CG 3.25Å; L685-L689 WeakPolarHBondContact O-CG 3.32Å; L685-L689 PolarHBondContact O-N 3.47Å; L685-F699 HydrophobicContact CD1-CE1 4.08Å; L685-F699 HydrophobicContact CD1-CZ 3.92Å; L685-F699 HydrophobicContact CD2-CE1 4.12Å; L685-F699 HydrophobicContact CD2-CZ 4.16Å |
| 686 | L | 94.6 | Very high | 94.4 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -34.5 | 177.6 | -71.8 | 176.2 | 0 | 0 | 0 | 112.6 | F655 P659 K682 K690 | F655-L686 HydrophobicContact CB-CD2 4.44Å; P659-L686 HydrophobicContact CB-CD1 4.13Å; P659-L686 HydrophobicContact CB-CD2 4.41Å; K682-L686 HydrophobicContact CD-CD1 4.44Å; K682-L686 HydrophobicContact CG-CD1 3.78Å; K682-L686 HydrophobicContact CG-CG 4.39Å; K682-L686 WeakPolarHBondContact O-CB 3.37Å; K682-L686 VanDerWaalsContact O-CG 3.3Å; K682-L686 WeakPolarHBondContact O-CG 3.32Å; K682-L686 PolarHBondContact O-N 3.16Å; L686-K690 VanDerWaalsContact O-CB 3.24Å; L686-K690 WeakPolarHBondContact O-CB 3.11Å; L686-K690 WeakPolarHBondContact O-CD 3.44Å; L686-K690 WeakPolarHBondContact O-CG 3.32Å; L686-K690 PolarHBondContact O-N 3.44Å |
| 687 | Q | 94.8 | Very high | 94.3 | Very high | 125 Ų | 125 | 51.9 Ų | 51.9 | 58% | 0.584 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65.4 | -43.8 | 174.7 | -171.6 | -172.7 | 83.7 | 0 | 0 | 111.6 | D683 C684 L685 F691 | D683-Q687 VanDerWaalsContact O-CB 3.27Å; D683-Q687 WeakPolarHBondContact O-CB 3.27Å; D683-Q687 PolarHBondContact O-N 3.4Å; C684-Q687 PolarHBondContact O-N 3.49Å; L685-Q687 VanDerWaalsContact C-N 3.31Å; L685-Q687 PolarHBondContact O-N 3.04Å; Q687-F691 PolarHBondContact O-N 2.96Å |
| 688 | V | 95.1 | Very high | 94.2 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.3 | -43 | 178.4 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | A599 L600 C684 L685 K690 F691 Y692 | A599-V688 HydrophobicContact CB-CG1 4.07Å; A599-V688 HydrophobicContact CB-CG2 4.22Å; L600-V688 HydrophobicContact CD2-CB 4.22Å; L600-V688 HydrophobicContact CD2-CG1 3.81Å; L600-V688 HydrophobicContact CG-CG1 3.97Å; C684-V688 WeakPolarHBondContact O-CG2 3.35Å; C684-V688 PolarHBondContact O-N 3.18Å; L685-V688 PolarHBondContact O-N 3.12Å; V688-K690 PolarHBondContact O-N 3.36Å; V688-F691 PolarHBondContact O-N 2.87Å; V688-F691 VanDerWaalsContact O-N 3.16Å; V688-Y692 HydrophobicContact CG1-CD2 3.82Å; V688-Y692 HydrophobicContact CG1-CE2 4.26Å; V688-Y692 PolarHBondContact O-N 3.23Å |
| 689 | L | 94.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 176.1 | -66.2 | 175.1 | 0 | 0 | 0 | 112.3 | W656 L685 F691 Y692 S693 F695 A696 F699 | W656-L689 HydrophobicContact CB-CD1 4.35Å; L685-L689 HydrophobicContact CD1-CD1 3.92Å; L685-L689 HydrophobicContact CD1-CD2 4.43Å; L685-L689 HydrophobicContact CD1-CG 3.98Å; L685-L689 HydrophobicContact CD2-CD1 4.48Å; L685-L689 HydrophobicContact CG-CD1 3.79Å; L685-L689 HydrophobicContact CG-CG 4.27Å; L685-L689 WeakPolarHBondContact O-CB 3.34Å; L685-L689 VanDerWaalsContact O-CG 3.25Å; L685-L689 WeakPolarHBondContact O-CG 3.32Å; L685-L689 PolarHBondContact O-N 3.47Å; L689-F691 VanDerWaalsContact C-N 3.29Å; L689-F691 PolarHBondContact O-N 3.45Å; L689-Y692 CarbonylContact O-C 3.59Å; L689-S693 PolarHBondContact O-N 3.01Å; L689-F695 HydrophobicContact CD2-CD1 4.11Å; L689-F695 HydrophobicContact CD2-CE1 4.19Å; L689-A696 HydrophobicContact CB-CB 4.01Å; L689-A696 HydrophobicContact CD2-CB 4Å; L689-F699 HydrophobicContact CD1-CD1 3.94Å; L689-F699 HydrophobicContact CD1-CE1 3.98Å; L689-F699 HydrophobicContact CD2-CB 4.13Å; L689-F699 HydrophobicContact CD2-CD1 3.7Å; L689-F699 HydrophobicContact CD2-CE1 4.26Å; L689-F699 HydrophobicContact CD2-CG 3.97Å; L689-F699 HydrophobicContact CG-CD1 4.47Å |
| 690 | K | 94 | Very high | 94 | Very high | 152 Ų | 152 | 53.9 Ų | 53.9 | 66% | 0.661 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.3 | -31.3 | 173.4 | -76.8 | 167.7 | -176.5 | 173.7 | 0 | 112.8 | L686 V688 | L686-K690 VanDerWaalsContact O-CB 3.24Å; L686-K690 WeakPolarHBondContact O-CB 3.11Å; L686-K690 WeakPolarHBondContact O-CD 3.44Å; L686-K690 WeakPolarHBondContact O-CG 3.32Å; L686-K690 PolarHBondContact O-N 3.44Å; V688-K690 PolarHBondContact O-N 3.36Å |
| 691 | F | 94.3 | Very high | 93.8 | Very high | 137 Ų | 137 | 62.6 Ų | 62.6 | 60% | 0.601 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -81 | -40.1 | 177.3 | -170.9 | -95.7 | 0 | 0 | 0 | 112.4 | Q687 V688 L689 | Q687-F691 PolarHBondContact O-N 2.96Å; V688-F691 PolarHBondContact O-N 2.87Å; V688-F691 VanDerWaalsContact O-N 3.16Å; L689-F691 VanDerWaalsContact C-N 3.29Å; L689-F691 PolarHBondContact O-N 3.45Å |
| 692 | Y | 95.1 | Very high | 93.7 | Very high | 59 Ų | 59 | 60.9 Ų | 60.9 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -102.1 | 60 | 176.7 | -63.4 | -76.6 | 0 | 0 | 0 | 111.6 | G595 C596 A599 V688 L689 A694 F695 A696 | G595-Y692 PolarHBondContact O-OH 3.22Å; C596-Y692 HydrophobicContact CB-CD1 4.08Å; C596-Y692 HydrophobicContact CB-CD2 3.88Å; C596-Y692 HydrophobicContact CB-CE1 4.17Å; C596-Y692 HydrophobicContact CB-CE2 3.96Å; C596-Y692 HydrophobicContact CB-CG 3.94Å; C596-Y692 VanDerWaalsContact SG-CD2 3.57Å; A599-Y692 HydrophobicContact CB-CE2 3.9Å; V688-Y692 HydrophobicContact CG1-CD2 3.82Å; V688-Y692 HydrophobicContact CG1-CE2 4.26Å; V688-Y692 PolarHBondContact O-N 3.23Å; L689-Y692 CarbonylContact O-C 3.59Å; Y692-A694 VanDerWaalsContact C-N 3.26Å; Y692-A694 PolarHBondContact O-N 3.46Å; Y692-A694 VanDerWaalsContact O-N 3.16Å; Y692-F695 WeakPolarHBondContact O-CA 3.42Å; Y692-F695 WeakPolarHBondContact O-CB 3.26Å; Y692-F695 PolarHBondContact O-N 3.02Å; Y692-A696 PolarHBondContact O-N 3.45Å |
| 693 | S | 91.9 | Very high | 93.7 | Very high | 81 Ų | 81 | 61 Ų | 61 | 57% | 0.566 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -54.2 | -36.4 | -175.6 | 57.7 | 0 | 0 | 0 | 0 | 114.4 | L689 F695 A696 N697 | L689-S693 PolarHBondContact O-N 3.01Å; S693-F695 VanDerWaalsContact C-N 3.33Å; S693-F695 PolarHBondContact O-N 2.96Å; S693-A696 PolarHBondContact O-N 3.19Å; S693-N697 PolarHBondContact O-N 2.87Å |
| 694 | A | 91 | Very high | 93.6 | Very high | 86 Ų | 86 | 60.8 Ų | 60.8 | 71% | 0.711 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.3 | -34.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y692 | Y692-A694 VanDerWaalsContact C-N 3.26Å; Y692-A694 PolarHBondContact O-N 3.46Å; Y692-A694 VanDerWaalsContact O-N 3.16Å |
| 695 | F | 94.5 | Very high | 93.6 | Very high | 13 Ų | 13 | 60.4 Ų | 60.4 | 6% | 0.057 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -75 | -35.5 | 172.8 | 174.2 | -109.8 | 0 | 0 | 0 | 111.6 | A588 F589 A592 C596 L600 L689 Y692 S693 N697 S698 F699 | A588-F695 VanDerWaalsContact O-CE2 3.31Å; A588-F695 WeakPolarHBondContact O-CE2 3.48Å; A588-F695 WeakPolarHBondContact O-CZ 3.43Å; F589-F695 HydrophobicContact CD1-CZ 4.17Å; A592-F695 HydrophobicContact CB-CD2 3.97Å; A592-F695 HydrophobicContact CB-CE2 3.59Å; A592-F695 HydrophobicContact CB-CZ 3.96Å; C596-F695 VanDerWaalsContact SG-CD1 3.52Å; L600-F695 HydrophobicContact CD1-CE1 4.2Å; L689-F695 HydrophobicContact CD2-CD1 4.11Å; L689-F695 HydrophobicContact CD2-CE1 4.19Å; Y692-F695 WeakPolarHBondContact O-CA 3.42Å; Y692-F695 WeakPolarHBondContact O-CB 3.26Å; Y692-F695 PolarHBondContact O-N 3.02Å; S693-F695 VanDerWaalsContact C-N 3.33Å; S693-F695 PolarHBondContact O-N 2.96Å; F695-N697 VanDerWaalsContact C-N 3.3Å; F695-N697 PolarHBondContact O-N 3.5Å; F695-S698 CarbonylContact O-C 3.52Å; F695-S698 WeakPolarHBondContact O-CA 3.39Å; F695-S698 VanDerWaalsContact O-CB 3.23Å; F695-S698 WeakPolarHBondContact O-CB 3.46Å; F695-S698 PolarHBondContact O-N 2.83Å; F695-F699 HydrophobicContact CD1-CB 4.31Å; F695-F699 HydrophobicContact CE1-CB 3.85Å; F695-F699 AromaticContact CE1-CD2 3.87Å; F695-F699 HydrophobicContact CE1-CD2 3.87Å; F695-F699 HydrophobicContact CE1-CG 4.07Å; F695-F699 HydrophobicContact CE2-CB 4.39Å; F695-F699 HydrophobicContact CZ-CB 3.9Å; F695-F699 AromaticContact CZ-CD2 3.72Å; F695-F699 HydrophobicContact CZ-CD2 3.72Å; F695-F699 HydrophobicContact CZ-CG 4.2Å; F695-F699 PolarHBondContact O-N 3.2Å |
| 696 | A | 93.7 | Very high | 93.5 | Very high | 20 Ų | 20 | 63.6 Ų | 63.6 | 17% | 0.165 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.2 | -40.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L689 Y692 S693 S698 F699 A700 | L689-A696 HydrophobicContact CB-CB 4.01Å; L689-A696 HydrophobicContact CD2-CB 4Å; Y692-A696 PolarHBondContact O-N 3.45Å; S693-A696 PolarHBondContact O-N 3.19Å; A696-S698 PolarHBondContact O-N 3.28Å; A696-F699 PolarHBondContact O-N 3.25Å; A696-A700 WeakPolarHBondContact O-CB 3.26Å; A696-A700 PolarHBondContact O-N 2.92Å |
| 697 | N | 90.9 | Very high | 93.5 | Very high | 115 Ų | 115 | 63.9 Ų | 63.9 | 62% | 0.615 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.8 | -19.7 | 173.8 | -68 | -20.7 | 0 | 0 | 0 | 113.8 | S693 F695 R701 | S693-N697 PolarHBondContact O-N 2.87Å; F695-N697 VanDerWaalsContact C-N 3.3Å; F695-N697 PolarHBondContact O-N 3.5Å; N697-R701 WeakPolarHBondContact O-CG 3.42Å; N697-R701 PolarHBondContact O-NE 3.38Å |
| 698 | S | 92.5 | Very high | 93.5 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -83.5 | -52 | 173.6 | -158 | 0 | 0 | 0 | 0 | 110.4 | L591 F695 A696 A700 R701 N702 | L591-S698 VanDerWaalsContact CD1-OG 3.26Å; L591-S698 WeakPolarHBondContact CD1-OG 3.44Å; F695-S698 CarbonylContact O-C 3.52Å; F695-S698 WeakPolarHBondContact O-CA 3.39Å; F695-S698 VanDerWaalsContact O-CB 3.23Å; F695-S698 WeakPolarHBondContact O-CB 3.46Å; F695-S698 PolarHBondContact O-N 2.83Å; A696-S698 PolarHBondContact O-N 3.28Å; S698-A700 VanDerWaalsContact C-N 3.34Å; S698-A700 PolarHBondContact O-N 3Å; S698-R701 PolarHBondContact O-N 3.31Å; S698-R701 VanDerWaalsContact O-N 3.07Å; S698-N702 WeakPolarHBondContact O-CB 3.43Å; S698-N702 PolarHBondContact O-N 2.91Å; S698-N702 PolarHBondContact OG-ND2 3.1Å |
| 699 | F | 94.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -52.4 | -49.1 | 175.5 | -174.9 | -103.1 | 0 | 0 | 0 | 111.8 | A588 F589 L625 W656 L685 L689 F695 A696 R701 N702 L703 | A588-F699 HydrophobicContact CB-CD2 4.03Å; A588-F699 HydrophobicContact CB-CE2 4.25Å; F589-F699 HydrophobicContact CD1-CE2 4.48Å; F589-F699 HydrophobicContact CE1-CD2 4.21Å; F589-F699 AromaticContact CE1-CE2 3.65Å; F589-F699 HydrophobicContact CE1-CE2 3.65Å; F589-F699 AromaticContact CZ-CE2 3.85Å; F589-F699 HydrophobicContact CZ-CE2 3.85Å; L625-F699 HydrophobicContact CD2-CZ 4.37Å; W656-F699 HydrophobicContact CD2-CE1 4.44Å; W656-F699 HydrophobicContact CE3-CD1 4.33Å; W656-F699 AromaticContact CE3-CE1 3.81Å; W656-F699 HydrophobicContact CE3-CE1 3.81Å; W656-F699 HydrophobicContact CH2-CE1 4.16Å; W656-F699 HydrophobicContact CZ3-CD1 4.44Å; W656-F699 AromaticContact CZ3-CE1 3.66Å; W656-F699 HydrophobicContact CZ3-CE1 3.66Å; W656-F699 HydrophobicContact CZ3-CZ 4.43Å; L685-F699 HydrophobicContact CD1-CE1 4.08Å; L685-F699 HydrophobicContact CD1-CZ 3.92Å; L685-F699 HydrophobicContact CD2-CE1 4.12Å; L685-F699 HydrophobicContact CD2-CZ 4.16Å; L689-F699 HydrophobicContact CD1-CD1 3.94Å; L689-F699 HydrophobicContact CD1-CE1 3.98Å; L689-F699 HydrophobicContact CD2-CB 4.13Å; L689-F699 HydrophobicContact CD2-CD1 3.7Å; L689-F699 HydrophobicContact CD2-CE1 4.26Å; L689-F699 HydrophobicContact CD2-CG 3.97Å; L689-F699 HydrophobicContact CG-CD1 4.47Å; F695-F699 HydrophobicContact CD1-CB 4.31Å; F695-F699 HydrophobicContact CE1-CB 3.85Å; F695-F699 AromaticContact CE1-CD2 3.87Å; F695-F699 HydrophobicContact CE1-CD2 3.87Å; F695-F699 HydrophobicContact CE1-CG 4.07Å; F695-F699 HydrophobicContact CE2-CB 4.39Å; F695-F699 HydrophobicContact CZ-CB 3.9Å; F695-F699 AromaticContact CZ-CD2 3.72Å; F695-F699 HydrophobicContact CZ-CD2 3.72Å; F695-F699 HydrophobicContact CZ-CG 4.2Å; F695-F699 PolarHBondContact O-N 3.2Å; A696-F699 PolarHBondContact O-N 3.25Å; F699-R701 PolarHBondContact O-N 3.13Å; F699-R701 VanDerWaalsContact O-N 3.14Å; F699-N702 PolarHBondContact O-N 3.05Å; F699-L703 HydrophobicContact CE1-CD2 3.78Å; F699-L703 HydrophobicContact CE2-CD2 3.74Å; F699-L703 HydrophobicContact CZ-CD2 3.3Å; F699-L703 VanDerWaalsContact O-CB 3.26Å; F699-L703 WeakPolarHBondContact O-CB 3.11Å; F699-L703 PolarHBondContact O-N 3.35Å |
| 700 | A | 92.8 | Very high | 93.3 | Very high | 42 Ų | 42 | 61.7 Ų | 61.7 | 35% | 0.347 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.1 | -15.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | W656 A696 S698 | W656-A700 VanDerWaalsContact CD1-CB 3.42Å; W656-A700 HydrophobicContact CG-CB 4.28Å; W656-A700 VanDerWaalsContact NE1-CB 3.35Å; A696-A700 WeakPolarHBondContact O-CB 3.26Å; A696-A700 PolarHBondContact O-N 2.92Å; S698-A700 VanDerWaalsContact C-N 3.34Å; S698-A700 PolarHBondContact O-N 3Å |
| 701 | R | 92.2 | Very high | 93.2 | Very high | 184 Ų | 184 | 57.9 Ų | 57.9 | 69% | 0.694 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -101.4 | -33 | 175.2 | -70.4 | -177.5 | -65.1 | 160.4 | 7.1 | 112.8 | N697 S698 F699 | N697-R701 WeakPolarHBondContact O-CG 3.42Å; N697-R701 PolarHBondContact O-NE 3.38Å; S698-R701 PolarHBondContact O-N 3.31Å; S698-R701 VanDerWaalsContact O-N 3.07Å; F699-R701 PolarHBondContact O-N 3.13Å; F699-R701 VanDerWaalsContact O-N 3.14Å |
| 702 | N | 93.6 | Very high | 93.1 | Very high | 55 Ų | 55 | 57.7 Ų | 57.7 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -95.5 | -18.2 | -173.2 | -64 | -7.3 | 0 | 0 | 0 | 113.2 | S698 F699 V704 | S698-N702 WeakPolarHBondContact O-CB 3.43Å; S698-N702 PolarHBondContact O-N 2.91Å; S698-N702 PolarHBondContact OG-ND2 3.1Å; F699-N702 PolarHBondContact O-N 3.05Å; N702-V704 PolarHBondContact O-N 3.1Å |
| 703 | L | 93.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 58.5 Ų | 58.5 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | trans | -91 | 95.4 | 173 | -173.7 | 59.4 | 0 | 0 | 0 | 110.3 | A588 L625 F627 V650 W656 F699 L705 | A588-L703 HydrophobicContact CB-CB 3.8Å; A588-L703 HydrophobicContact CB-CD1 4.1Å; A588-L703 HydrophobicContact CB-CG 4.46Å; L625-L703 HydrophobicContact CD2-CD2 3.89Å; F627-L703 HydrophobicContact CE1-CD1 4.02Å; F627-L703 HydrophobicContact CZ-CD1 4.47Å; F627-L703 HydrophobicContact CZ-CD2 4.29Å; V650-L703 HydrophobicContact CB-CD1 4.42Å; V650-L703 HydrophobicContact CG1-CD1 4.25Å; V650-L703 HydrophobicContact CG2-CD1 4.05Å; W656-L703 HydrophobicContact CH2-CB 4.44Å; W656-L703 HydrophobicContact CH2-CD2 3.6Å; W656-L703 HydrophobicContact CH2-CG 4.15Å; W656-L703 HydrophobicContact CZ2-CD2 4.48Å; W656-L703 HydrophobicContact CZ3-CD2 4.08Å; F699-L703 HydrophobicContact CE1-CD2 3.78Å; F699-L703 HydrophobicContact CE2-CD2 3.74Å; F699-L703 HydrophobicContact CZ-CD2 3.3Å; F699-L703 VanDerWaalsContact O-CB 3.26Å; F699-L703 WeakPolarHBondContact O-CB 3.11Å; F699-L703 PolarHBondContact O-N 3.35Å; L703-L705 HydrophobicContact CG-CD2 4.46Å | ||
| 704 | V | 91.9 | Very high | 92.7 | Very high | 118 Ų | 118 | 62.7 Ų | 62.7 | 72% | 0.715 | 34% | 0.335 | S | S | * | . | trans | -85 | 135.3 | 162.3 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | N702 | N702-V704 PolarHBondContact O-N 3.1Š| ||
| 705 | L | 93.7 | Very high | 92.7 | Very high | 28 Ų | 28 | 62.4 Ų | 62.4 | 15% | 0.147 | 32% | 0.318 | C | S | . | . | trans | -86.3 | 136 | 169.2 | -57.8 | -179.6 | 0 | 0 | 0 | 108.8 | L625 V650 P654 L703 Y707 D708 | L625-L705 HydrophobicContact CD1-CD2 3.63Å; V650-L705 HydrophobicContact CB-CD2 4.16Å; V650-L705 HydrophobicContact CG1-CD2 3.73Å; P654-L705 HydrophobicContact CB-CD1 4.34Å; P654-L705 HydrophobicContact CG-CD1 4.47Å; L703-L705 HydrophobicContact CG-CD2 4.46Å; L705-Y707 VanDerWaalsContact C-N 3.29Å; L705-D708 HydrophobicContact CD1-CB 4.34Å | ||
| 706 | T | 94.3 | Very high | 92.4 | Very high | 68 Ų | 68 | 69.8 Ų | 69.8 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -66.7 | -36.5 | 171 | -45.6 | 0 | 0 | 0 | 0 | 110.4 | L645 D649 V650 | L645-T706 HydrophobicContact CD2-CG2 3.64Å; D649-T706 WeakPolarHBondContact CA-OG1 3.3Å; D649-T706 HydrophobicContact CB-CG2 4.17Å; D649-T706 WeakPolarHBondContact CB-OG1 3.41Å; D649-T706 VanDerWaalsContact CG-OG1 3.32Å; D649-T706 WeakPolarHBondContact OD1-CB 3.37Å; D649-T706 WeakPolarHBondContact OD1-CG2 3.19Å; D649-T706 PolarHBondContact OD1-OG1 2.82Å; V650-T706 PolarHBondContact N-OG1 3.08Å; V650-T706 PolarHBondContact O-N 3.28Å |
| 707 | Y | 94.5 | Very high | 92.2 | Very high | 18 Ų | 18 | 71.4 Ų | 71.4 | 7% | 0.071 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 125.8 | 173.1 | -163 | -80.8 | 0 | 0 | 0 | 111.3 | V635 V642 A643 V650 F651 A667 L705 L709 L713 | V635-Y707 HydrophobicContact CG1-CD1 4.15Å; V635-Y707 HydrophobicContact CG1-CD2 4.35Å; V635-Y707 HydrophobicContact CG1-CE1 3.86Å; V635-Y707 HydrophobicContact CG1-CE2 4.06Å; V635-Y707 HydrophobicContact CG1-CG 4.4Å; V635-Y707 HydrophobicContact CG2-CD2 4.48Å; V635-Y707 HydrophobicContact CG2-CG 4.37Å; V642-Y707 HydrophobicContact CB-CE2 4.47Å; V642-Y707 HydrophobicContact CG2-CE2 3.77Å; A643-Y707 HydrophobicContact CB-CD2 3.66Å; A643-Y707 HydrophobicContact CB-CE2 4.11Å; V650-Y707 PolarHBondContact O-N 3.1Å; F651-Y707 WeakPolarHBondContact CA-O 3.47Å; A667-Y707 HydrophobicContact CB-CE1 4.48Å; L705-Y707 VanDerWaalsContact C-N 3.29Å; Y707-L709 HydrophobicContact CD1-CD2 3.78Å; Y707-L709 HydrophobicContact CD1-CG 4.39Å; Y707-L709 HydrophobicContact CE1-CD2 3.97Å; Y707-L713 HydrophobicContact CE2-CD1 3.92Å |
| 708 | D | 94.6 | Very high | 92.1 | Very high | 34 Ų | 34 | 72 Ų | 72 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 107.2 | 173.4 | -172.1 | -17.6 | 0 | 0 | 0 | 109.3 | G652 P654 L705 K710 T711 | G652-D708 WeakPolarHBondContact O-CA 3.31Å; P654-D708 WeakPolarHBondContact CD-OD2 3.12Å; L705-D708 HydrophobicContact CD1-CB 4.34Å; D708-K710 PolarHBondContact O-N 3.32Å; D708-K710 VanDerWaalsContact OD1-CB 3.24Å; D708-K710 WeakPolarHBondContact OD1-CB 3.17Å; D708-K710 PolarHBondContact OD1-N 3.06Å; D708-T711 HydrophobicContact CB-CG2 4.41Å; D708-T711 PolarHBondContact O-N 2.95Å; D708-T711 VanDerWaalsContact O-N 3.08Å; D708-T711 PolarHBondContact O-OG1 3.33Å |
| 709 | L | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.5 | -176.5 | -69.3 | 178.5 | 0 | 0 | 0 | 112.8 | F616 I622 F651 G652 A666 V669 Y707 | F616-L709 HydrophobicContact CB-CD1 4.37Å; F616-L709 HydrophobicContact CD2-CD1 3.42Å; F616-L709 VanDerWaalsContact CD2-CD1 3.42Å; F616-L709 HydrophobicContact CE2-CD1 3.7Å; F616-L709 HydrophobicContact CG-CD1 3.92Å; F616-L709 HydrophobicContact CZ-CD1 4.38Å; I622-L709 HydrophobicContact CD1-CB 3.61Å; I622-L709 HydrophobicContact CG1-CB 4.12Å; F651-L709 HydrophobicContact CD2-CD1 4.22Å; G652-L709 PolarHBondContact O-N 3.01Å; A666-L709 WeakPolarHBondContact CB-O 3.25Å; A666-L709 PolarHBondContact N-O 3.08Å; V669-L709 HydrophobicContact CG2-CD1 4.43Å; V669-L709 HydrophobicContact CG2-CD2 3.69Å; Y707-L709 HydrophobicContact CD1-CD2 3.78Å; Y707-L709 HydrophobicContact CD1-CG 4.39Å; Y707-L709 HydrophobicContact CE1-CD2 3.97Å |
| 710 | K | 92.2 | Very high | 91.6 | Very high | 61 Ų | 61 | 77 Ų | 77 | 27% | 0.265 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -29.7 | 174.7 | -177.9 | 178.1 | -172.5 | 161.7 | 0 | 112.3 | I622 E653 D658 N663 D708 R712 | I622-K710 HydrophobicContact CD1-CB 4.49Å; E653-K710 HydrophobicContact CG-CB 4.28Å; E653-K710 HydrophobicContact CG-CD 3.94Å; E653-K710 WeakPolarHBondContact OE1-CD 3.43Å; E653-K710 IonicContact OE1-NZ 2.8Å; E653-K710 PolarHBondContact OE1-NZ 3.44Å; D658-K710 IonicContact OD2-NZ 3.11Å; D658-K710 PolarHBondContact OD2-NZ 3Å; N663-K710 HydrophobicContact CB-CD 4.16Å; N663-K710 HydrophobicContact CB-CG 3.98Å; N663-K710 VanDerWaalsContact CG-CE 3.43Å; N663-K710 WeakPolarHBondContact ND2-CE 3.32Å; N663-K710 PolarHBondContact ND2-NZ 2.91Å; N663-K710 VanDerWaalsContact ND2-NZ 3.14Å; N663-K710 WeakPolarHBondContact OD1-CE 3.46Å; D708-K710 PolarHBondContact O-N 3.32Å; D708-K710 VanDerWaalsContact OD1-CB 3.24Å; D708-K710 WeakPolarHBondContact OD1-CB 3.17Å; D708-K710 PolarHBondContact OD1-N 3.06Å; K710-R712 PolarHBondContact O-N 3.14Å |
| 711 | T | 91.1 | Very high | 91.4 | Very high | 71 Ų | 71 | 77.2 Ų | 77.2 | 44% | 0.436 | 38% | 0.382 | S | S | . | . | trans | -89.3 | 110.3 | -173.2 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | D708 | D708-T711 HydrophobicContact CB-CG2 4.41Å; D708-T711 PolarHBondContact O-N 2.95Å; D708-T711 VanDerWaalsContact O-N 3.08Å; D708-T711 PolarHBondContact O-OG1 3.33Å | ||
| 712 | R | 91.7 | Very high | 91.3 | Very high | 134 Ų | 134 | 72.9 Ų | 72.9 | 51% | 0.506 | 37% | 0.366 | S | S | . | . | trans | -75.2 | 121.8 | 171.9 | -173.6 | 171.3 | 173.1 | 76.9 | -4.1 | 110.4 | D638 A666 K710 | D638-R712 IonicContact OD1-CZ 3.91Å; D638-R712 VanDerWaalsContact OD1-CZ 3.26Å; D638-R712 IonicContact OD1-NH1 2.79Å; D638-R712 PolarHBondContact OD1-NH1 1.85Å; D638-R712 IonicContact OD1-NH2 3.78Å; D638-R712 PolarHBondContact OD1-NH2 3.49Å; D638-R712 IonicContact OD2-CZ 2.75Å; D638-R712 IonicContact OD2-NH1 2.76Å; D638-R712 PolarHBondContact OD2-NH1 3.12Å; D638-R712 VanDerWaalsContact OD2-NH1 3.09Å; D638-R712 IonicContact OD2-NH2 3.98Å; D638-R712 PolarHBondContact OD2-NH2 2.74Å; A666-R712 HydrophobicContact CB-CB 3.75Å; A666-R712 HydrophobicContact CB-CG 4.34Å; K710-R712 PolarHBondContact O-N 3.14Å | ||
| 713 | L | 89.8 | Confident | 91.2 | Very high | 75 Ų | 75 | 76 Ų | 76 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | trans | -75.4 | 134.9 | 174.9 | -66.6 | 170.5 | 0 | 0 | 0 | 110 | Q637 V642 Y707 F715 | Q637-L713 PolarHBondContact NE2-O 3.29Å; V642-L713 HydrophobicContact CB-CD1 3.82Å; V642-L713 HydrophobicContact CG1-CD1 4.15Å; V642-L713 HydrophobicContact CG2-CD1 4.31Å; Y707-L713 HydrophobicContact CE2-CD1 3.92Å; L713-F715 HydrophobicContact CB-CD1 4.18Å; L713-F715 HydrophobicContact CB-CE1 4.44Å | ||
| 714 | I | 90.1 | Very high | 90.8 | Very high | 170 Ų | 170 | 78.4 Ų | 78.4 | 87% | 0.872 | 39% | 0.385 | S | S | * | . | trans | -100.7 | 107.6 | 178.6 | -57.1 | 177.3 | 0 | 0 | 0 | 108.5 | ||||
| 715 | F | 90.5 | Very high | 90.6 | Very high | 79 Ų | 79 | 74.9 Ų | 74.9 | 35% | 0.346 | 36% | 0.359 | S | S | . | . | trans | -135.8 | 171 | 174.5 | 58.7 | -92.1 | 0 | 0 | 0 | 110.5 | Q637 D638 E640 V642 L713 | Q637-F715 HydrophobicContact CB-CE1 4.29Å; Q637-F715 HydrophobicContact CB-CZ 4.41Å; D638-F715 HydrophobicContact CB-CZ 4.36Å; E640-F715 HydrophobicContact CB-CE2 4Å; E640-F715 HydrophobicContact CB-CZ 4.07Å; E640-F715 HydrophobicContact CG-CE2 3.68Å; E640-F715 HydrophobicContact CG-CZ 4.22Å; V642-F715 HydrophobicContact CG1-CD1 4.5Å; V642-F715 HydrophobicContact CG1-CE1 3.75Å; V642-F715 HydrophobicContact CG1-CZ 4.24Å; L713-F715 HydrophobicContact CB-CD1 4.18Å; L713-F715 HydrophobicContact CB-CE1 4.44Å | ||
| 716 | R | 88.3 | Confident | 90.3 | Very high | 168 Ų | 168 | 77.8 Ų | 77.8 | 63% | 0.634 | 37% | 0.371 | S | S | * | . | trans | -123.7 | 139.5 | 169 | -66 | -171.4 | -178 | -153 | -1.1 | 109 | V721 E724 | R716-V721 HydrophobicContact CB-CG2 3.74Å; R716-E724 IonicContact CZ-OE2 2.84Å; R716-E724 IonicContact NH1-OE1 3.83Å; R716-E724 PolarHBondContact NH1-OE1 2.79Å; R716-E724 IonicContact NH1-OE2 2.88Å; R716-E724 PolarHBondContact NH1-OE2 2.8Å | ||
| 717 | K | 89.7 | Confident | 89.9 | Confident | 54 Ų | 54 | 78.9 Ų | 78.9 | 24% | 0.235 | 38% | 0.375 | C | S | . | . | trans | -68.7 | 137.2 | 174.6 | -56.8 | -175.6 | 178.3 | -124.3 | 0 | 109.6 | D638 E640 A719 D720 V721 | D638-K717 WeakPolarHBondContact O-CE 3.44Å; D638-K717 PolarHBondContact O-NZ 3.15Å; E640-K717 HydrophobicContact CG-CD 4.38Å; E640-K717 HydrophobicContact CG-CG 4.16Å; E640-K717 VanDerWaalsContact OE1-CD 3.27Å; E640-K717 WeakPolarHBondContact OE1-CD 3.3Å; E640-K717 VanDerWaalsContact OE1-CE 3.29Å; E640-K717 WeakPolarHBondContact OE1-CE 3.5Å; E640-K717 IonicContact OE1-NZ 2.89Å; E640-K717 PolarHBondContact OE1-NZ 2.88Å; K717-A719 PolarHBondContact O-N 3.27Å; K717-A719 VanDerWaalsContact O-N 3.16Å; K717-D720 WeakPolarHBondContact CB-OD2 3.34Å; K717-D720 PolarHBondContact O-N 2.96Å; K717-V721 PolarHBondContact O-N 3.42Å; K717-V721 VanDerWaalsContact O-N 3.14Å | ||
| 718 | L | 88.3 | Confident | 89.4 | Confident | 128 Ų | 128 | 78.5 Ų | 78.5 | 67% | 0.67 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59.6 | -28 | 179 | -71.4 | 171.2 | 0 | 0 | 0 | 112.8 | R722 | L718-R722 VanDerWaalsContact O-CB 3.29Å; L718-R722 WeakPolarHBondContact O-CB 3.46Å; L718-R722 PolarHBondContact O-N 2.86Å |
| 719 | A | 87.7 | Confident | 88.8 | Confident | 61 Ų | 61 | 81.6 Ų | 81.6 | 50% | 0.504 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.5 | -35 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | K717 R723 | K717-A719 PolarHBondContact O-N 3.27Å; K717-A719 VanDerWaalsContact O-N 3.16Å; A719-R723 WeakPolarHBondContact O-CB 3.31Å; A719-R723 PolarHBondContact O-N 3.37Å |
| 720 | D | 88.3 | Confident | 88 | Confident | 57 Ų | 57 | 86 Ų | 86 | 31% | 0.305 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -77.1 | -43 | 178.6 | -60.7 | -37.9 | 0 | 0 | 0 | 110.8 | K717 R722 R723 E724 | K717-D720 WeakPolarHBondContact CB-OD2 3.34Å; K717-D720 PolarHBondContact O-N 2.96Å; D720-R722 PolarHBondContact O-N 3.43Å; D720-R723 PolarHBondContact O-N 3.31Å; D720-R723 VanDerWaalsContact O-N 3.08Å; D720-R723 IonicContact OD1-CZ 2.6Å; D720-R723 IonicContact OD1-NH1 3.18Å; D720-R723 PolarHBondContact OD1-NH1 3.19Å; D720-R723 IonicContact OD1-NH2 2.73Å; D720-R723 PolarHBondContact OD1-NH2 2.85Å; D720-E724 WeakPolarHBondContact O-CG 3.48Å; D720-E724 PolarHBondContact O-N 2.88Å |
| 721 | V | 89.7 | Confident | 87.2 | Confident | 46 Ų | 46 | 91.2 Ų | 91.2 | 28% | 0.279 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.6 | -36 | 172.2 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | R716 K717 M784 | R716-V721 HydrophobicContact CB-CG2 3.74Å; K717-V721 PolarHBondContact O-N 3.42Å; K717-V721 VanDerWaalsContact O-N 3.14Å; V721-M784 HydrophobicContact CG1-CG 4.11Å |
| 722 | R | 90.8 | Very high | 86.3 | Confident | 92 Ų | 92 | 93.1 Ų | 93.1 | 35% | 0.347 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.4 | -50.4 | 171.1 | 171.4 | 169.9 | -76.4 | -175.8 | -6.2 | 111.6 | L718 D720 E724 Y725 E726 M784 | L718-R722 VanDerWaalsContact O-CB 3.29Å; L718-R722 WeakPolarHBondContact O-CB 3.46Å; L718-R722 PolarHBondContact O-N 2.86Å; D720-R722 PolarHBondContact O-N 3.43Å; R722-E724 VanDerWaalsContact C-N 3.32Å; R722-E724 PolarHBondContact O-N 2.84Å; R722-Y725 PolarHBondContact O-N 3.32Å; R722-E726 VanDerWaalsContact CD-OE1 3.24Å; R722-E726 WeakPolarHBondContact CD-OE1 2.98Å; R722-E726 HydrophobicContact CG-CG 4.3Å; R722-E726 WeakPolarHBondContact CG-OE1 3.42Å; R722-E726 PolarHBondContact O-N 3.42Å; R722-M784 HydrophobicContact CB-CE 4.28Å; R722-M784 HydrophobicContact CG-CE 4.19Å; R722-M784 WeakPolarHBondContact O-CE 3.19Å |
| 723 | R | 89.7 | Confident | 84.9 | Confident | 122 Ų | 122 | 91.4 Ų | 91.4 | 46% | 0.46 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.9 | -37 | -179.3 | -156 | -173.7 | -49.7 | 103.2 | 8.5 | 112.6 | A719 D720 Y725 L727 | A719-R723 WeakPolarHBondContact O-CB 3.31Å; A719-R723 PolarHBondContact O-N 3.37Å; D720-R723 PolarHBondContact O-N 3.31Å; D720-R723 VanDerWaalsContact O-N 3.08Å; D720-R723 IonicContact OD1-CZ 2.6Å; D720-R723 IonicContact OD1-NH1 3.18Å; D720-R723 PolarHBondContact OD1-NH1 3.19Å; D720-R723 IonicContact OD1-NH2 2.73Å; D720-R723 PolarHBondContact OD1-NH2 2.85Å; R723-Y725 PolarHBondContact O-N 3.2Å; R723-L727 HydrophobicContact CG-CD1 4.3Å; R723-L727 WeakPolarHBondContact O-CB 2.99Å; R723-L727 WeakPolarHBondContact O-CD1 3.48Å; R723-L727 VanDerWaalsContact O-CG 3.23Å; R723-L727 WeakPolarHBondContact O-CG 3.21Å; R723-L727 PolarHBondContact O-N 2.92Å |
| 724 | E | 85.5 | Confident | 83.3 | Confident | 63 Ų | 63 | 94.5 Ų | 94.5 | 29% | 0.294 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.2 | -32.1 | 179.5 | -79.9 | -178 | 127.5 | 0 | 0 | 113.2 | R716 D720 R722 A728 | R716-E724 IonicContact CZ-OE2 2.84Å; R716-E724 IonicContact NH1-OE1 3.83Å; R716-E724 PolarHBondContact NH1-OE1 2.79Å; R716-E724 IonicContact NH1-OE2 2.88Å; R716-E724 PolarHBondContact NH1-OE2 2.8Å; D720-E724 WeakPolarHBondContact O-CG 3.48Å; D720-E724 PolarHBondContact O-N 2.88Å; R722-E724 VanDerWaalsContact C-N 3.32Å; R722-E724 PolarHBondContact O-N 2.84Å; E724-A728 PolarHBondContact O-N 3.14Å |
| 725 | Y | 88.5 | Confident | 81.5 | Confident | 43 Ų | 43 | 91 Ų | 91 | 17% | 0.169 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -102.1 | -26.2 | 178.4 | 171.2 | -87.7 | 0 | 0 | 0 | 115.3 | R722 R723 L727 A728 E729 D783 M784 | R722-Y725 PolarHBondContact O-N 3.32Å; R723-Y725 PolarHBondContact O-N 3.2Å; Y725-L727 PolarHBondContact O-N 3.44Å; Y725-A728 VanDerWaalsContact C-N 3.34Å; Y725-A728 HydrophobicContact CD2-CB 4.36Å; Y725-A728 CarbonylContact O-C 3.53Å; Y725-A728 WeakPolarHBondContact O-CA 3.44Å; Y725-A728 PolarHBondContact O-N 3.05Å; Y725-E729 HydrophobicContact CD1-CB 4.43Å; Y725-E729 WeakPolarHBondContact O-CB 3.46Å; Y725-E729 PolarHBondContact O-N 2.88Å; Y725-D783 HydrophobicContact CD2-CB 4.47Å; Y725-D783 HydrophobicContact CE2-CB 4.15Å; Y725-D783 WeakPolarHBondContact CE2-OD1 3.49Å; Y725-M784 HydrophobicContact CD1-CB 3.95Å; Y725-M784 HydrophobicContact CD1-CE 3.46Å; Y725-M784 VanDerWaalsContact CD1-CE 3.46Å; Y725-M784 HydrophobicContact CD1-SD 4.47Å; Y725-M784 HydrophobicContact CD2-CB 3.69Å; Y725-M784 HydrophobicContact CE1-CB 4.44Å; Y725-M784 HydrophobicContact CE1-CE 4.13Å; Y725-M784 HydrophobicContact CE2-CB 4.15Å; Y725-M784 VanDerWaalsContact CE2-N 3.31Å; Y725-M784 WeakPolarHBondContact CE2-O 3.1Å; Y725-M784 HydrophobicContact CG-CB 3.43Å; Y725-M784 VanDerWaalsContact CG-CB 3.43Å; Y725-M784 HydrophobicContact CG-CE 3.98Å; Y725-M784 PolarHBondContact OH-O 3.28Å |
| 726 | E | 86.7 | Confident | 79.8 | Confident | 89 Ų | 89 | 91.2 Ų | 91.2 | 42% | 0.416 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -54.1 | -37.8 | 160.9 | -70.9 | 167.6 | 178.6 | 0 | 0 | 109 | R722 N730 | R722-E726 VanDerWaalsContact CD-OE1 3.24Å; R722-E726 WeakPolarHBondContact CD-OE1 2.98Å; R722-E726 HydrophobicContact CG-CG 4.3Å; R722-E726 WeakPolarHBondContact CG-OE1 3.42Å; R722-E726 PolarHBondContact O-N 3.42Å; E726-N730 VanDerWaalsContact O-CB 3.28Å; E726-N730 WeakPolarHBondContact O-CB 3.43Å; E726-N730 PolarHBondContact O-N 3.02Å; E726-N730 VanDerWaalsContact O-N 3.13Å; E726-N730 PolarHBondContact O-ND2 3.35Å |
| 727 | L | 85.7 | Confident | 78 | Confident | 92 Ų | 92 | 87.3 Ų | 87.3 | 48% | 0.482 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -74.5 | -20.8 | 169.7 | -67.1 | 170.8 | 0 | 0 | 0 | 115.2 | R723 Y725 R731 | R723-L727 HydrophobicContact CG-CD1 4.3Å; R723-L727 WeakPolarHBondContact O-CB 2.99Å; R723-L727 WeakPolarHBondContact O-CD1 3.48Å; R723-L727 VanDerWaalsContact O-CG 3.23Å; R723-L727 WeakPolarHBondContact O-CG 3.21Å; R723-L727 PolarHBondContact O-N 2.92Å; Y725-L727 PolarHBondContact O-N 3.44Å; L727-R731 WeakPolarHBondContact O-CB 3.48Å; L727-R731 WeakPolarHBondContact O-CG 3.23Å; L727-R731 PolarHBondContact O-N 2.74Å; L727-R731 PolarHBondContact O-NE 2.95Å |
| 728 | A | 85.1 | Confident | 76.3 | Confident | 10 Ų | 10 | 90 Ų | 90 | 8% | 0.083 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -85.7 | -39.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E724 Y725 R731 K732 N782 | E724-A728 PolarHBondContact O-N 3.14Å; Y725-A728 VanDerWaalsContact C-N 3.34Å; Y725-A728 HydrophobicContact CD2-CB 4.36Å; Y725-A728 CarbonylContact O-C 3.53Å; Y725-A728 WeakPolarHBondContact O-CA 3.44Å; Y725-A728 PolarHBondContact O-N 3.05Å; A728-R731 CarbonylContact O-C 3.57Å; A728-R731 PolarHBondContact O-N 3.5Å; A728-K732 WeakPolarHBondContact O-CG 3.22Å; A728-K732 PolarHBondContact O-N 3.15Å; A728-N782 HydrophobicContact CB-CB 4.42Å |
| 729 | E | 80.8 | Confident | 74.8 | Confident | 99 Ų | 99 | 88.6 Ų | 88.6 | 46% | 0.463 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 175 | -169 | 164.7 | -159.2 | 0 | 0 | 110.7 | Y725 R731 K732 T733 | Y725-E729 HydrophobicContact CD1-CB 4.43Å; Y725-E729 WeakPolarHBondContact O-CB 3.46Å; Y725-E729 PolarHBondContact O-N 2.88Å; E729-R731 VanDerWaalsContact C-N 3.33Å; E729-R731 PolarHBondContact O-N 2.79Å; E729-K732 WeakPolarHBondContact O-CA 3.27Å; E729-K732 WeakPolarHBondContact O-CB 3.49Å; E729-K732 PolarHBondContact O-N 2.68Å; E729-T733 PolarHBondContact O-N 2.68Å; E729-T733 PolarHBondContact O-OG1 3.25Å |
| 730 | N | 78.9 | Confident | 73.3 | Confident | 92 Ų | 92 | 88.9 Ų | 88.9 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 168.9 | -71.6 | -14.3 | 0 | 0 | 0 | 112.2 | E726 K732 T733 D734 | E726-N730 VanDerWaalsContact O-CB 3.28Å; E726-N730 WeakPolarHBondContact O-CB 3.43Å; E726-N730 PolarHBondContact O-N 3.02Å; E726-N730 VanDerWaalsContact O-N 3.13Å; E726-N730 PolarHBondContact O-ND2 3.35Å; N730-K732 PolarHBondContact O-N 3.27Å; N730-T733 WeakPolarHBondContact CA-OG1 3.31Å; N730-T733 PolarHBondContact O-N 3.46Å; N730-T733 PolarHBondContact O-OG1 2.85Å; N730-T733 VanDerWaalsContact O-OG1 3.09Å; N730-D734 WeakPolarHBondContact O-CB 3.42Å; N730-D734 PolarHBondContact O-N 3.42Å |
| 731 | R | 75.2 | Confident | 71.8 | Confident | 171 Ų | 171 | 95.8 Ų | 95.8 | 65% | 0.645 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.6 | -17.8 | 173.8 | -82.1 | 179.6 | -74.4 | 178.9 | -1.2 | 114 | L727 A728 E729 | L727-R731 WeakPolarHBondContact O-CB 3.48Å; L727-R731 WeakPolarHBondContact O-CG 3.23Å; L727-R731 PolarHBondContact O-N 2.74Å; L727-R731 PolarHBondContact O-NE 2.95Å; A728-R731 CarbonylContact O-C 3.57Å; A728-R731 PolarHBondContact O-N 3.5Å; E729-R731 VanDerWaalsContact C-N 3.33Å; E729-R731 PolarHBondContact O-N 2.79Å |
| 732 | K | 71.1 | Confident | 70.4 | Confident | 110 Ų | 110 | 97 Ų | 97 | 48% | 0.478 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -85.2 | -33.6 | 172.4 | -73.9 | 170 | 175.6 | -176.5 | 0 | 112 | A728 E729 N730 N735 D783 | A728-K732 WeakPolarHBondContact O-CG 3.22Å; A728-K732 PolarHBondContact O-N 3.15Å; E729-K732 WeakPolarHBondContact O-CA 3.27Å; E729-K732 WeakPolarHBondContact O-CB 3.49Å; E729-K732 PolarHBondContact O-N 2.68Å; N730-K732 PolarHBondContact O-N 3.27Å; K732-N735 PolarHBondContact O-ND2 3.42Å; K732-D783 IonicContact NZ-OD1 3.3Å; K732-D783 PolarHBondContact NZ-OD1 3.45Å; K732-D783 IonicContact NZ-OD2 2.91Å; K732-D783 PolarHBondContact NZ-OD2 3.45Å |
| 733 | T | 62.9 | Low | 68.9 | Low | 99 Ų | 99 | 97.2 Ų | 97.2 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -81.2 | -38.4 | 178.8 | 48.7 | 0 | 0 | 0 | 0 | 113 | E729 N730 N735 | E729-T733 PolarHBondContact O-N 2.68Å; E729-T733 PolarHBondContact O-OG1 3.25Å; N730-T733 WeakPolarHBondContact CA-OG1 3.31Å; N730-T733 PolarHBondContact O-N 3.46Å; N730-T733 PolarHBondContact O-OG1 2.85Å; N730-T733 VanDerWaalsContact O-OG1 3.09Å; T733-N735 PolarHBondContact O-N 3.19Å |
| 734 | D | 56 | Low | 67.9 | Low | 139 Ų | 139 | 95.1 Ų | 95.1 | 74% | 0.743 | 50% | 0.504 | S | S | * | . | trans | -75.6 | 55.9 | 174.6 | -82.8 | -31.5 | 0 | 0 | 0 | 113.3 | N730 A736 | N730-D734 WeakPolarHBondContact O-CB 3.42Å; N730-D734 PolarHBondContact O-N 3.42Å; D734-A736 PolarHBondContact O-N 3.33Å | ||
| 735 | N | 52.4 | Low | 67.1 | Low | 98 Ų | 98 | 96.4 Ų | 96.4 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | trans | -70.1 | 101.1 | 169.8 | -104.4 | -81.6 | 0 | 0 | 0 | 110.3 | K732 T733 L737 S738 | K732-N735 PolarHBondContact O-ND2 3.42Å; T733-N735 PolarHBondContact O-N 3.19Å; N735-L737 PolarHBondContact O-N 3.01Å; N735-S738 PolarHBondContact O-N 3.16Å; N735-S738 VanDerWaalsContact O-N 3.07Å; N735-S738 PolarHBondContact O-OG 2.93Å | ||
| 736 | A | 53.7 | Low | 66.1 | Low | 83 Ų | 83 | 98.1 Ų | 98.1 | 69% | 0.686 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 2.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | D734 S739 | D734-A736 PolarHBondContact O-N 3.33Å; A736-S739 PolarHBondContact O-OG 3.21Å |
| 737 | L | 50.8 | Low | 65 | Low | 85 Ų | 85 | 99.4 Ų | 99.4 | 45% | 0.445 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -9.4 | 171.1 | -82.9 | 159.7 | 0 | 0 | 0 | 114.1 | N735 S739 L740 | N735-L737 PolarHBondContact O-N 3.01Å; L737-S739 VanDerWaalsContact C-N 3.33Å; L737-L740 HydrophobicContact CD2-CD1 4.33Å; L737-L740 PolarHBondContact O-N 3.24Å |
| 738 | S | 54.9 | Low | 64 | Low | 111 Ų | 111 | 103.5 Ų | 103.5 | 78% | 0.776 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -31.8 | 177.2 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | N735 L740 | N735-S738 PolarHBondContact O-N 3.16Å; N735-S738 VanDerWaalsContact O-N 3.07Å; N735-S738 PolarHBondContact O-OG 2.93Å; S738-L740 VanDerWaalsContact C-N 3.33Å; S738-L740 PolarHBondContact O-N 3.02Å |
| 739 | S | 56.6 | Low | 63.2 | Low | 99 Ų | 99 | 108.7 Ų | 108.7 | 69% | 0.692 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -17.4 | 179 | 61.6 | 0 | 0 | 0 | 0 | 114.3 | A736 L737 | A736-S739 PolarHBondContact O-OG 3.21Å; L737-S739 VanDerWaalsContact C-N 3.33Å |
| 740 | L | 55.3 | Low | 62.5 | Low | 67 Ų | 67 | 108.5 Ų | 108.5 | 35% | 0.351 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -95.7 | 107.1 | -170.4 | -80 | 162.3 | 0 | 0 | 0 | 112.2 | L737 S738 R747 | L737-L740 HydrophobicContact CD2-CD1 4.33Å; L737-L740 PolarHBondContact O-N 3.24Å; S738-L740 VanDerWaalsContact C-N 3.33Å; S738-L740 PolarHBondContact O-N 3.02Å; L740-R747 PolarHBondContact O-NH1 3.27Å |
| 741 | R | 58.4 | Low | 61.8 | Low | 201 Ų | 201 | 110.3 Ų | 110.3 | 76% | 0.758 | 57% | 0.573 | S | S | * | * | trans | -42.6 | 141.1 | 176.7 | -165.3 | 178.6 | 178.3 | 128.5 | 3.2 | 112.6 | D743 H744 | R741-D743 WeakPolarHBondContact CD-OD2 3.22Å; R741-D743 WeakPolarHBondContact CG-OD2 3.37Å; R741-D743 IonicContact CZ-OD2 3.99Å; R741-D743 IonicContact NE-OD2 2.85Å; R741-D743 PolarHBondContact NE-OD2 2.92Å; R741-D743 PolarHBondContact O-N 2.98Å; R741-H744 WeakPolarHBondContact O-CB 3.49Å; R741-H744 PolarHBondContact O-N 2.83Å; R741-H744 VanDerWaalsContact O-N 3.12Å | ||
| 742 | A | 60.4 | Low | 61.3 | Low | 72 Ų | 72 | 109.9 Ų | 109.9 | 60% | 0.595 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -25.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | H744 | A742-H744 VanDerWaalsContact C-N 3.3Å; A742-H744 PolarHBondContact O-N 3.24Å |
| 743 | D | 59.5 | Low | 60.9 | Low | 97 Ų | 97 | 111.6 Ų | 111.6 | 52% | 0.519 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.3 | -13.9 | -175.2 | -45.8 | -50.8 | 0 | 0 | 0 | 113.8 | R741 | R741-D743 WeakPolarHBondContact CD-OD2 3.22Å; R741-D743 WeakPolarHBondContact CG-OD2 3.37Å; R741-D743 IonicContact CZ-OD2 3.99Å; R741-D743 IonicContact NE-OD2 2.85Å; R741-D743 PolarHBondContact NE-OD2 2.92Å; R741-D743 PolarHBondContact O-N 2.98Å |
| 744 | H | 67.9 | Low | 60.9 | Low | 78 Ų | 78 | 113.2 Ų | 113.2 | 36% | 0.361 | 58% | 0.578 | S | S | . | * | trans | -63.3 | 130.4 | -166.9 | -162 | -110.8 | 0 | 0 | 0 | 113.3 | R741 A742 V746 R747 R748 | R741-H744 WeakPolarHBondContact O-CB 3.49Å; R741-H744 PolarHBondContact O-N 2.83Å; R741-H744 VanDerWaalsContact O-N 3.12Å; A742-H744 VanDerWaalsContact C-N 3.3Å; A742-H744 PolarHBondContact O-N 3.24Å; H744-V746 VanDerWaalsContact C-N 3.3Å; H744-V746 PolarHBondContact O-N 3.35Å; H744-R747 WeakPolarHBondContact O-CB 3.33Å; H744-R747 PolarHBondContact O-N 3.39Å; H744-R748 PolarHBondContact O-N 3.29Å | ||
| 745 | P | 69.3 | Low | 60.9 | Low | 90 Ų | 90 | 115.1 Ų | 115.1 | 58% | 0.584 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.8 | -33.6 | -171.2 | 22.1 | -33.7 | 0 | 0 | 0 | 113.7 | R747 R748 M749 | P745-R747 VanDerWaalsContact C-N 3.29Å; P745-R747 PolarHBondContact O-N 3Å; P745-R748 PolarHBondContact O-N 3.15Å; P745-M749 PolarHBondContact O-N 3.48Å |
| 746 | V | 66.4 | Low | 61 | Low | 79 Ų | 79 | 117 Ų | 117 | 48% | 0.479 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61 | -38.5 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | H744 R748 M749 I750 | H744-V746 VanDerWaalsContact C-N 3.3Å; H744-V746 PolarHBondContact O-N 3.35Å; V746-R748 PolarHBondContact O-N 3.05Å; V746-M749 PolarHBondContact O-N 2.96Å; V746-I750 HydrophobicContact CG1-CD1 3.96Å; V746-I750 HydrophobicContact CG1-CG1 4.48Å; V746-I750 WeakPolarHBondContact O-CG1 3.46Å; V746-I750 PolarHBondContact O-N 2.74Å |
| 747 | R | 64.8 | Low | 61.1 | Low | 116 Ų | 116 | 116.4 Ų | 116.4 | 44% | 0.438 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.2 | -38.9 | 178.9 | -162 | 172.4 | -178.1 | 144.8 | 4 | 111 | L740 H744 P745 H751 | L740-R747 PolarHBondContact O-NH1 3.27Å; H744-R747 WeakPolarHBondContact O-CB 3.33Å; H744-R747 PolarHBondContact O-N 3.39Å; P745-R747 VanDerWaalsContact C-N 3.29Å; P745-R747 PolarHBondContact O-N 3Å; R747-H751 WeakPolarHBondContact O-CB 3.46Å; R747-H751 PolarHBondContact O-N 3.11Å |
| 748 | R | 64.1 | Low | 60.7 | Low | 178 Ų | 178 | 116.1 Ų | 116.1 | 67% | 0.672 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.1 | -38.4 | 171.1 | -68.8 | -173.5 | 178.5 | -172.2 | 0.8 | 112.7 | H744 P745 V746 H751 K752 | H744-R748 PolarHBondContact O-N 3.29Å; P745-R748 PolarHBondContact O-N 3.15Å; V746-R748 PolarHBondContact O-N 3.05Å; R748-H751 PolarHBondContact O-N 3.12Å; R748-K752 PolarHBondContact O-N 3.07Å; R748-K752 VanDerWaalsContact O-N 3.07Å |
| 749 | M | 67.7 | Low | 60.1 | Low | 118 Ų | 118 | 119.4 Ų | 119.4 | 58% | 0.581 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65 | -49.6 | 179.8 | -173.7 | 175.9 | -74.8 | 0 | 0 | 111.8 | P745 V746 H751 K752 F753 | P745-M749 PolarHBondContact O-N 3.48Å; V746-M749 PolarHBondContact O-N 2.96Å; M749-H751 VanDerWaalsContact C-N 3.3Å; M749-H751 PolarHBondContact O-N 3.33Å; M749-K752 WeakPolarHBondContact O-CB 3.22Å; M749-K752 PolarHBondContact O-N 3.27Å; M749-F753 HydrophobicContact CG-CD2 3.91Å; M749-F753 HydrophobicContact CG-CE2 3.72Å; M749-F753 WeakPolarHBondContact O-CD2 3.43Å; M749-F753 PolarHBondContact O-N 2.95Å; M749-F753 HydrophobicContact SD-CE2 4.27Å |
| 750 | I | 66.2 | Low | 59.2 | Low | 96 Ų | 96 | 121.8 Ų | 121.8 | 49% | 0.492 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -57.6 | -44.8 | 175.9 | -66.4 | 167.2 | 0 | 0 | 0 | 110.5 | V746 K752 F753 R754 | V746-I750 HydrophobicContact CG1-CD1 3.96Å; V746-I750 HydrophobicContact CG1-CG1 4.48Å; V746-I750 WeakPolarHBondContact O-CG1 3.46Å; V746-I750 PolarHBondContact O-N 2.74Å; I750-K752 PolarHBondContact O-N 3.3Å; I750-F753 PolarHBondContact O-N 3.33Å; I750-R754 WeakPolarHBondContact O-CB 3.5Å; I750-R754 PolarHBondContact O-N 2.95Å |
| 751 | H | 65.1 | Low | 58.4 | Low | 130 Ų | 130 | 127.2 Ų | 127.2 | 60% | 0.602 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.6 | -19.6 | 178.5 | -156.3 | -52.4 | 0 | 0 | 0 | 113.7 | R747 R748 M749 | R747-H751 WeakPolarHBondContact O-CB 3.46Å; R747-H751 PolarHBondContact O-N 3.11Å; R748-H751 PolarHBondContact O-N 3.12Å; M749-H751 VanDerWaalsContact C-N 3.3Å; M749-H751 PolarHBondContact O-N 3.33Å |
| 752 | K | 63.8 | Low | 57.3 | Low | 162 Ų | 162 | 122.8 Ų | 122.8 | 70% | 0.704 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -84 | -44.4 | 174.7 | -165.6 | 174.9 | -178.3 | -177.7 | 0 | 111.9 | R748 M749 I750 R754 R755 | R748-K752 PolarHBondContact O-N 3.07Å; R748-K752 VanDerWaalsContact O-N 3.07Å; M749-K752 WeakPolarHBondContact O-CB 3.22Å; M749-K752 PolarHBondContact O-N 3.27Å; I750-K752 PolarHBondContact O-N 3.3Å; K752-R754 VanDerWaalsContact C-N 3.31Å; K752-R754 PolarHBondContact O-N 2.9Å; K752-R755 PolarHBondContact O-N 3.39Å |
| 753 | F | 63 | Low | 56.4 | Low | 145 Ų | 145 | 125.4 Ų | 125.4 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.8 | -38.4 | 174.9 | -81.7 | -73.3 | 0 | 0 | 0 | 112.3 | M749 I750 R755 I756 | M749-F753 HydrophobicContact CG-CD2 3.91Å; M749-F753 HydrophobicContact CG-CE2 3.72Å; M749-F753 WeakPolarHBondContact O-CD2 3.43Å; M749-F753 PolarHBondContact O-N 2.95Å; M749-F753 HydrophobicContact SD-CE2 4.27Å; I750-F753 PolarHBondContact O-N 3.33Å; F753-R755 PolarHBondContact O-N 3.31Å; F753-I756 PolarHBondContact O-N 3.07Å; F753-I756 VanDerWaalsContact O-N 3.14Å |
| 754 | R | 63.9 | Low | 55.5 | Low | 134 Ų | 134 | 127.8 Ų | 127.8 | 51% | 0.506 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61 | -7 | 179.9 | -157.6 | 166.5 | -167.8 | -167.9 | -2.2 | 114.9 | I750 K752 N773 N774 | I750-R754 WeakPolarHBondContact O-CB 3.5Å; I750-R754 PolarHBondContact O-N 2.95Å; K752-R754 VanDerWaalsContact C-N 3.31Å; K752-R754 PolarHBondContact O-N 2.9Å; R754-N773 VanDerWaalsContact CZ-O 3.23Å; R754-N773 PolarHBondContact NE-O 2.96Å; R754-N773 PolarHBondContact NH2-O 3.06Å; R754-N774 HydrophobicContact CG-CB 3.94Å; R754-N774 VanDerWaalsContact CZ-O 3.23Å; R754-N774 PolarHBondContact NE-O 3.43Å; R754-N774 PolarHBondContact NH2-O 2.7Å; R754-N774 WeakPolarHBondContact O-CB 3.45Å; R754-N774 PolarHBondContact O-ND2 3.14Å |
| 755 | R | 54.7 | Low | 54.1 | Low | 179 Ų | 179 | 130.2 Ų | 130.2 | 68% | 0.675 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -8.2 | 176 | -79.1 | -167.4 | 170.7 | -166.8 | -1.1 | 116 | K752 F753 | K752-R755 PolarHBondContact O-N 3.39Å; F753-R755 PolarHBondContact O-N 3.31Å |
| 756 | I | 54.9 | Low | 52.7 | Low | 136 Ų | 136 | 130.9 Ų | 130.9 | 70% | 0.697 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -22.4 | -167.8 | -60.9 | 175.8 | 0 | 0 | 0 | 113.4 | F753 T758 | F753-I756 PolarHBondContact O-N 3.07Å; F753-I756 VanDerWaalsContact O-N 3.14Å; I756-T758 PolarHBondContact O-N 3.42Å |
| 757 | G | 54.8 | Low | 51.5 | Low | 71 Ų | 71 | 132.6 Ų | 132.6 | 73% | 0.732 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -89 | 10.3 | -163.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 758 | T | 42.5 | Very low | 50 | Low | 80 Ų | 80 | 135.6 Ų | 135.6 | 49% | 0.491 | 70% | 0.699 | S | S | . | * | trans | -144.5 | 95 | -170.6 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | I756 N774 | I756-T758 PolarHBondContact O-N 3.42Å; T758-N774 HydrophobicContact CG2-CB 4.46Å; T758-N774 WeakPolarHBondContact CG2-OD1 3.2Å; T758-N774 PolarHBondContact OG1-ND2 3.5Å; T758-N774 PolarHBondContact OG1-OD1 3.08Å | ||
| 759 | H | 42.5 | Very low | 48.6 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 83% | 0.829 | 70% | 0.699 | S | S | * | * | trans | -160.4 | 71.5 | 171.2 | -144.2 | -71.5 | 0 | 0 | 0 | 114.3 | ||||
| 760 | N | 38.9 | Very low | 47.1 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | trans | -171 | 141.2 | 151.2 | -104.1 | -22.6 | 0 | 0 | 0 | 114 | ||||
| 761 | Q | 37.5 | Very low | 45.7 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | trans | 51.7 | 96.6 | 156.1 | -60.4 | -178.7 | 0.9 | 0 | 0 | 120.1 | ||||
| 762 | S | 35.9 | Very low | 44.4 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | -163.7 | 157.8 | 107.1 | 63 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 763 | T | 41.5 | Very low | 43.3 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | 52.4 | 115.3 | 160.2 | 52 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 764 | N | 40 | Very low | 42.1 | Very low | 146 Ų | 146 | 120.8 Ų | 120.8 | 78% | 0.781 | 69% | 0.685 | S | S | * | * | trans | -53.3 | 154.8 | 139.4 | -62.1 | 14.9 | 0 | 0 | 0 | 110 | ||||
| 765 | D | 38.2 | Very low | 40.7 | Very low | 129 Ų | 129 | 117.4 Ų | 117.4 | 69% | 0.69 | 69% | 0.691 | S | S | * | * | cis | -149.7 | 145.1 | 19.2 | -137.2 | -49.4 | 0 | 0 | 0 | 113.3 | ||||
| 766 | S | 41.5 | Very low | 39.8 | Very low | 105 Ų | 105 | 115.4 Ų | 115.4 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | trans | 59.1 | 144.2 | 159.1 | -65.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 767 | P | 39.5 | Very low | 38.7 | Very low | 115 Ų | 115 | 112.1 Ų | 112.1 | 75% | 0.747 | 70% | 0.701 | S | S | * | * | trans | -126.4 | 175.5 | -162.4 | 41.8 | -25.6 | 0 | 0 | 0 | 115.7 | ||||
| 768 | I | 34.8 | Very low | 37.6 | Very low | 179 Ų | 179 | 116.2 Ų | 116.2 | 92% | 0.918 | 71% | 0.706 | S | S | * | * | trans | 171.4 | 133.5 | 134.8 | -88.7 | 152.4 | 0 | 0 | 0 | 107.3 | ||||
| 769 | G | 34 | Very low | 37 | Very low | 65 Ų | 65 | 120.2 Ų | 120.2 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 145.9 | 9.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 770 | S | 36.8 | Very low | 36.6 | Very low | 102 Ų | 102 | 118.7 Ų | 118.7 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | trans | 51.9 | 106.4 | 161 | 59.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 771 | N | 36.9 | Very low | 36.2 | Very low | 160 Ų | 160 | 118.5 Ų | 118.5 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | 67.1 | 144 | 123.7 | -65.6 | -21.5 | 0 | 0 | 0 | 121.8 | |||||
| 772 | S | 38.3 | Very low | 36 | Very low | 84 Ų | 84 | 113.4 Ų | 113.4 | 59% | 0.587 | 69% | 0.694 | S | S | * | * | cis | -171 | 137.9 | -6.5 | 160.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 773 | N | 39.5 | Very low | 35.9 | Very low | 62 Ų | 62 | 113.4 Ų | 113.4 | 33% | 0.332 | 69% | 0.686 | S | S | . | * | trans | 77.4 | 106.6 | 150.4 | -66.8 | 25.2 | 0 | 0 | 0 | 124.3 | R754 | R754-N773 VanDerWaalsContact CZ-O 3.23Å; R754-N773 PolarHBondContact NE-O 2.96Å; R754-N773 PolarHBondContact NH2-O 3.06Å | ||
| 774 | N | 37.7 | Very low | 35.4 | Very low | 44 Ų | 44 | 108.4 Ų | 108.4 | 24% | 0.235 | 65% | 0.654 | C | S | . | * | 77.8 | 149.9 | 116.4 | -55.6 | -4.4 | 0 | 0 | 0 | 122.3 | R754 T758 | R754-N774 HydrophobicContact CG-CB 3.94Å; R754-N774 VanDerWaalsContact CZ-O 3.23Å; R754-N774 PolarHBondContact NE-O 3.43Å; R754-N774 PolarHBondContact NH2-O 2.7Å; R754-N774 WeakPolarHBondContact O-CB 3.45Å; R754-N774 PolarHBondContact O-ND2 3.14Å; T758-N774 HydrophobicContact CG2-CB 4.46Å; T758-N774 WeakPolarHBondContact CG2-OD1 3.2Å; T758-N774 PolarHBondContact OG1-ND2 3.5Å; T758-N774 PolarHBondContact OG1-OD1 3.08Å | |||
| 775 | G | 34.1 | Very low | 35.1 | Very low | 63 Ų | 63 | 108.6 Ų | 108.6 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | trans | -105.8 | -141.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 776 | P | 35.8 | Very low | 34.8 | Very low | 137 Ų | 137 | 108.6 Ų | 108.6 | 89% | 0.89 | 65% | 0.649 | S | S | * | * | cis | -134.8 | -180 | 3.1 | 43.7 | -28 | 0 | 0 | 0 | 115.8 | ||||
| 777 | G | 32.4 | Very low | 34.2 | Very low | 67 Ų | 67 | 107.4 Ų | 107.4 | 69% | 0.691 | 63% | 0.633 | S | S | * | * | trans | 116.2 | 122.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 778 | L | 31.1 | Very low | 33.8 | Very low | 158 Ų | 158 | 107.3 Ų | 107.3 | 83% | 0.827 | 64% | 0.635 | S | S | * | * | trans | 53.9 | 121.9 | 162.1 | -79.8 | 84.4 | 0 | 0 | 0 | 120.9 | ||||
| 779 | Q | 30.7 | Very low | 33.4 | Very low | 164 Ų | 164 | 110.4 Ų | 110.4 | 77% | 0.766 | 64% | 0.636 | S | S | * | * | 64.8 | 91.3 | 125 | -162.6 | 167.5 | 10.5 | 0 | 0 | 119.1 | |||||
| 780 | D | 33.2 | Very low | 33.2 | Very low | 146 Ų | 146 | 116.4 Ų | 116.4 | 78% | 0.781 | 64% | 0.643 | S | S | * | * | -160.9 | 163 | 99.8 | -127.4 | -18.6 | 0 | 0 | 0 | 113 | |||||
| 781 | N | 31.1 | Very low | 32.7 | Very low | 145 Ų | 145 | 116.8 Ų | 116.8 | 78% | 0.775 | 65% | 0.646 | S | S | * | * | trans | -96.7 | 129.3 | 175.8 | -64.7 | -69.4 | 0 | 0 | 0 | 111.4 | ||||
| 782 | N | 33.7 | Very low | 32.4 | Very low | 74 Ų | 74 | 115.2 Ų | 115.2 | 40% | 0.396 | 64% | 0.636 | S | S | . | * | trans | 174.7 | 107.2 | 137 | -94.1 | -9.2 | 0 | 0 | 0 | 110.5 | A728 | A728-N782 HydrophobicContact CB-CB 4.42Š| ||
| 783 | D | 34.2 | Very low | 32 | Very low | 109 Ų | 109 | 117.2 Ų | 117.2 | 58% | 0.583 | 65% | 0.645 | S | S | * | * | trans | -128.4 | 106.8 | 162 | -90.2 | -45.7 | 0 | 0 | 0 | 110.1 | Y725 K732 | Y725-D783 HydrophobicContact CD2-CB 4.47Å; Y725-D783 HydrophobicContact CE2-CB 4.15Å; Y725-D783 WeakPolarHBondContact CE2-OD1 3.49Å; K732-D783 IonicContact NZ-OD1 3.3Å; K732-D783 PolarHBondContact NZ-OD1 3.45Å; K732-D783 IonicContact NZ-OD2 2.91Å; K732-D783 PolarHBondContact NZ-OD2 3.45Å | ||
| 784 | M | 29.5 | Very low | 31.5 | Very low | 23 Ų | 23 | 123.1 Ų | 123.1 | 11% | 0.113 | 67% | 0.668 | C | S | . | * | trans | -70.8 | 165.2 | 169.8 | -171.1 | -114.1 | -60.9 | 0 | 0 | 109.7 | V721 R722 Y725 | V721-M784 HydrophobicContact CG1-CG 4.11Å; R722-M784 HydrophobicContact CB-CE 4.28Å; R722-M784 HydrophobicContact CG-CE 4.19Å; R722-M784 WeakPolarHBondContact O-CE 3.19Å; Y725-M784 HydrophobicContact CD1-CB 3.95Å; Y725-M784 HydrophobicContact CD1-CE 3.46Å; Y725-M784 VanDerWaalsContact CD1-CE 3.46Å; Y725-M784 HydrophobicContact CD1-SD 4.47Å; Y725-M784 HydrophobicContact CD2-CB 3.69Å; Y725-M784 HydrophobicContact CE1-CB 4.44Å; Y725-M784 HydrophobicContact CE1-CE 4.13Å; Y725-M784 HydrophobicContact CE2-CB 4.15Å; Y725-M784 VanDerWaalsContact CE2-N 3.31Å; Y725-M784 WeakPolarHBondContact CE2-O 3.1Å; Y725-M784 HydrophobicContact CG-CB 3.43Å; Y725-M784 VanDerWaalsContact CG-CB 3.43Å; Y725-M784 HydrophobicContact CG-CE 3.98Å; Y725-M784 PolarHBondContact OH-O 3.28Å | ||
| 785 | I | 34 | Very low | 31.2 | Very low | 149 Ų | 149 | 123.5 Ų | 123.5 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | trans | -118.7 | 123.4 | 172.4 | -65.8 | 176.6 | 0 | 0 | 0 | 107.8 | I787 | I785-I787 PolarHBondContact O-N 3.2Š| ||
| 786 | H | 31.4 | Very low | 30.9 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 60% | 0.597 | 69% | 0.693 | S | S | * | * | trans | -62.5 | 123.4 | -171 | -153.1 | -97.6 | 0 | 0 | 0 | 111.5 | S788 | H786-S788 PolarHBondContact O-N 2.99Š| ||
| 787 | I | 30.4 | Very low | 30.7 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 41% | 0.41 | 69% | 0.69 | S | S | . | * | trans | -67.1 | 125.4 | -166.9 | -60.6 | 169.5 | 0 | 0 | 0 | 111.6 | I785 | I785-I787 PolarHBondContact O-N 3.2Š| ||
| 788 | S | 30.5 | Very low | 30.7 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | trans | -113.4 | 143.8 | 159 | -169.2 | 0 | 0 | 0 | 0 | 110.1 | H786 K790 | H786-S788 PolarHBondContact O-N 2.99Å; S788-K790 PolarHBondContact O-N 3.49Å | ||
| 789 | R | 26.3 | Very low | 30.7 | Very low | 245 Ų | 245 | 134.5 Ų | 134.5 | 93% | 0.925 | 69% | 0.69 | S | S | * | * | trans | -66.4 | 124.2 | -170.6 | -69.7 | 176.4 | 176.1 | 158.7 | -2.4 | 111.5 | ||||
| 790 | K | 29.1 | Very low | 30.7 | Very low | 190 Ų | 190 | 137.4 Ų | 137.4 | 83% | 0.826 | 70% | 0.695 | S | S | * | * | trans | -114.8 | 112 | 153.1 | -111 | -174.9 | 177.1 | -176.6 | 0 | 109.2 | S788 I792 | S788-K790 PolarHBondContact O-N 3.49Å; K790-I792 PolarHBondContact O-N 3.35Å | ||
| 791 | S | 27.6 | Very low | 30.5 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 68% | 0.683 | S | S | * | * | trans | -65.7 | 114.3 | 160.9 | 47.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 792 | I | 30.1 | Very low | 30.3 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 65% | 0.646 | 68% | 0.683 | S | S | * | * | trans | -98.5 | 96.6 | 173 | -58.1 | -179.3 | 0 | 0 | 0 | 107.8 | K790 F794 | K790-I792 PolarHBondContact O-N 3.35Å; I792-F794 HydrophobicContact CG2-CD2 3.53Å; I792-F794 HydrophobicContact CG2-CE2 3.62Å; I792-F794 HydrophobicContact CG2-CG 4.41Å; I792-F794 PolarHBondContact O-N 2.97Å | ||
| 793 | T | 28.7 | Very low | 30.1 | Very low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | trans | -78.1 | 98 | 159.9 | 47.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 794 | F | 30.4 | Very low | 29.9 | Very low | 187 Ų | 187 | 143.5 Ų | 143.5 | 82% | 0.82 | 72% | 0.716 | S | S | * | * | trans | -76.7 | 128.3 | 151.2 | -82 | -82 | 0 | 0 | 0 | 107 | I792 | I792-F794 HydrophobicContact CG2-CD2 3.53Å; I792-F794 HydrophobicContact CG2-CE2 3.62Å; I792-F794 HydrophobicContact CG2-CG 4.41Å; I792-F794 PolarHBondContact O-N 2.97Å | ||
| 795 | G | 30.9 | Very low | 29.6 | Very low | 52 Ų | 52 | 150.9 Ų | 150.9 | 54% | 0.536 | 75% | 0.75 | S | S | . | * | cis | 139.3 | 95.3 | -3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 796 | D | 28.1 | Very low | 29.3 | Very low | 162 Ų | 162 | 152.3 Ų | 152.3 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | -58.4 | 139.7 | 177.6 | -52.7 | -70.8 | 0 | 0 | 0 | 110.7 | ||||
| 797 | Y | 32.1 | Very low | 28.9 | Very low | 209 Ų | 209 | 152.8 Ų | 152.8 | 82% | 0.82 | 76% | 0.758 | S | S | * | * | trans | -128.7 | 61.7 | 177.1 | -114 | -76.2 | 0 | 0 | 0 | 110.8 | ||||
| 798 | D | 31.1 | Very low | 28.9 | Very low | 152 Ų | 152 | 156.5 Ų | 156.5 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -74.8 | 147.5 | 161.3 | -90.3 | -36.7 | 0 | 0 | 0 | 111.1 | ||||
| 799 | D | 32 | Very low | 28.6 | Very low | 132 Ų | 132 | 158 Ų | 158 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 41.6 | 109.2 | 158.6 | -156 | 4 | 0 | 0 | 0 | 119.9 | S801 | D799-S801 WeakPolarHBondContact OD1-CB 3.48Å; D799-S801 PolarHBondContact OD1-N 3.25Å | ||
| 800 | Y | 30.9 | Very low | 28.9 | Very low | 225 Ų | 225 | 155.6 Ų | 155.6 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -126.6 | 78.4 | 152.4 | -115.5 | -77.6 | 0 | 0 | 0 | 110.4 | ||||
| 801 | S | 28.5 | Very low | 28.7 | Very low | 76 Ų | 76 | 154.9 Ų | 154.9 | 53% | 0.531 | 77% | 0.772 | S | S | . | * | trans | -78.6 | 146.5 | 168.5 | -150.2 | 0 | 0 | 0 | 0 | 112 | D799 | D799-S801 WeakPolarHBondContact OD1-CB 3.48Å; D799-S801 PolarHBondContact OD1-N 3.25Å | ||
| 802 | K | 27.3 | Very low | 28.9 | Very low | 175 Ų | 175 | 156.5 Ų | 156.5 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | 60.4 | 114.3 | 158.1 | -70.6 | 174.5 | 179.5 | 178.9 | 0 | 119 | ||||
| 803 | D | 29.3 | Very low | 28.8 | Very low | 147 Ų | 147 | 157.2 Ų | 157.2 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | 167.3 | 115.3 | 98.7 | -90.1 | -25.1 | 0 | 0 | 0 | 110.1 | |||||
| 804 | F | 29 | Very low | 28.9 | Very low | 205 Ų | 205 | 162.3 Ų | 162.3 | 90% | 0.899 | 78% | 0.779 | S | S | * | * | trans | -171 | 113.1 | 140.1 | -122.2 | -81.2 | 0 | 0 | 0 | 110 | ||||
| 805 | E | 22.9 | Very low | 28.7 | Very low | 178 Ų | 178 | 162.5 Ų | 162.5 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -126.2 | 120.7 | 172.2 | 176.2 | 177 | -131.4 | 0 | 0 | 106.6 | ||||
| 806 | F | 28.1 | Very low | 28.5 | Very low | 179 Ų | 179 | 166.9 Ų | 166.9 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -153 | 145.6 | 165.9 | -128.7 | -85.5 | 0 | 0 | 0 | 111 | ||||
| 807 | N | 24.2 | Very low | 28.6 | Very low | 139 Ų | 139 | 166.5 Ų | 166.5 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -92 | -167.8 | -174.2 | -80.2 | -30.3 | 0 | 0 | 0 | 112.4 | ||||
| 808 | E | 29 | Very low | 28.6 | Very low | 158 Ų | 158 | 163.1 Ų | 163.1 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 87.6 | 89.2 | 159.3 | -68.9 | 162.6 | -157.2 | 0 | 0 | 115.5 | ||||
| 809 | D | 25.2 | Very low | 28.3 | Very low | 145 Ų | 145 | 164.1 Ų | 164.1 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | 43.8 | 116.8 | 113.4 | -54.6 | -10.5 | 0 | 0 | 0 | 117.8 | |||||
| 810 | H | 32.1 | Very low | 28 | Very low | 193 Ų | 193 | 165.1 Ų | 165.1 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | -159.2 | 134.3 | 122.3 | -114.2 | -75.9 | 0 | 0 | 0 | 111.7 | |||||
| 811 | E | 25.2 | Very low | 27.9 | Very low | 176 Ų | 176 | 162.1 Ų | 162.1 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -69 | 148.2 | 158 | -58.4 | -177.2 | 107.4 | 0 | 0 | 109.3 | ||||
| 812 | D | 31.7 | Very low | 27.9 | Very low | 145 Ų | 145 | 162.7 Ų | 162.7 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | -157.7 | 165 | 115 | -130.2 | -33.8 | 0 | 0 | 0 | 114.6 | |||||
| 813 | Q | 27.2 | Very low | 27.8 | Very low | 140 Ų | 140 | 161.1 Ų | 161.1 | 65% | 0.654 | 77% | 0.767 | S | S | * | * | trans | -82.5 | 151.3 | -160.1 | -57 | 154.1 | 47.3 | 0 | 0 | 114.5 | ||||
| 814 | Y | 31.7 | Very low | 27.8 | Very low | 233 Ų | 233 | 160 Ų | 160 | 91% | 0.914 | 76% | 0.761 | S | S | * | * | trans | -155.6 | 64.5 | 130.2 | -103.4 | -65.5 | 0 | 0 | 0 | 114.3 | ||||
| 815 | R | 26.8 | Very low | 27.7 | Very low | 192 Ų | 192 | 156 Ų | 156 | 73% | 0.725 | 75% | 0.753 | S | S | * | * | 48.3 | 96.5 | 124.1 | -162.3 | 175.5 | -171.9 | 153.2 | 1.1 | 120.4 | |||||
| 816 | N | 26.9 | Very low | 27.9 | Very low | 144 Ų | 144 | 152.2 Ų | 152.2 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | 38.7 | 124.3 | 112.1 | -93.8 | -29.2 | 0 | 0 | 0 | 120.2 | |||||
| 817 | Q | 29.8 | Very low | 27.8 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | 177.4 | 152.3 | 94.5 | -112.8 | 163.5 | 4.2 | 0 | 0 | 116 | |||||
| 818 | N | 30.8 | Very low | 28 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | 60.6 | 125.7 | 158.9 | -52.5 | -26.4 | 0 | 0 | 0 | 118.6 | ||||
| 819 | K | 24.8 | Very low | 27.9 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | cis | 73.4 | 97.7 | 31.3 | -165.9 | -152.1 | 175.9 | -177 | 0 | 114.6 | ||||
| 820 | F | 27.2 | Very low | 28 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | -174.1 | 143.2 | 126.7 | -120 | -123.4 | 0 | 0 | 0 | 112.1 | |||||
| 821 | E | 28.7 | Very low | 27.8 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | trans | 50.7 | 159.1 | 147.2 | -69.2 | -178.6 | 165.1 | 0 | 0 | 123.2 | ||||
| 822 | S | 28.4 | Very low | 28 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 62% | 0.622 | 73% | 0.728 | S | S | * | * | cis | -164.8 | 159.1 | -29.9 | 61.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 823 | L | 25.6 | Very low | 27.7 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | trans | 57.8 | 148.6 | 142.3 | -99.6 | 68.5 | 0 | 0 | 0 | 124 | ||||
| 824 | N | 29 | Very low | 27.8 | Very low | 123 Ų | 123 | 137 Ų | 137 | 66% | 0.658 | 73% | 0.726 | S | S | * | * | trans | 71.6 | 112.4 | 155 | -58.4 | -13.3 | 0 | 0 | 0 | 118.3 | ||||
| 825 | T | 26.3 | Very low | 27.6 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | cis | 85.5 | 152.1 | 42.2 | 73.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 826 | S | 27.6 | Very low | 27.7 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | trans | 98.3 | 77.4 | 156.5 | -51 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 827 | T | 25.7 | Very low | 27.7 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | 50.7 | 156.2 | 114.1 | -30.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 828 | T | 28.3 | Very low | 27.7 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | trans | 90.8 | 88.4 | 147.4 | 15.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 829 | T | 26.6 | Very low | 27.7 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 69% | 0.693 | 71% | 0.707 | S | S | * | * | 80.3 | 139.9 | 116.1 | 51 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 830 | T | 27.5 | Very low | 28 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | trans | 76.2 | 113.3 | 139.6 | 46.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 831 | N | 27.6 | Very low | 28.1 | Very low | 144 Ų | 144 | 120.8 Ų | 120.8 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | trans | 66.1 | 153.9 | 130.7 | -50 | -8.5 | 0 | 0 | 0 | 117.6 | ||||
| 832 | T | 29.6 | Very low | 28.2 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | cis | -148.6 | 148.2 | 23.4 | -44.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 833 | T | 26.6 | Very low | 28.4 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 71% | 0.712 | 72% | 0.719 | S | S | * | * | trans | -23.8 | 136.2 | 161.2 | -29.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 834 | T | 27.7 | Very low | 28.6 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 68% | 0.681 | 72% | 0.724 | S | S | * | * | 161.4 | 142.3 | 112.1 | 39.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 835 | N | 27.7 | Very low | 28.8 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | 58.6 | 150.1 | 139.3 | -60.7 | -2.4 | 0 | 0 | 0 | 120.4 | ||||
| 836 | T | 29 | Very low | 28.8 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 69% | 0.693 | 73% | 0.731 | S | S | * | * | cis | -157.2 | 149.7 | -0.3 | 0.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 837 | T | 28.1 | Very low | 28.8 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | trans | 13.5 | 137.9 | 143.4 | 61.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 838 | N | 29 | Very low | 29 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 65% | 0.652 | 74% | 0.736 | S | S | * | * | 175.6 | 145 | 69.2 | -112.5 | -26.4 | 0 | 0 | 0 | 112.8 | |||||
| 839 | N | 29.7 | Very low | 28.9 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | trans | 59.5 | 159.7 | 135.2 | -57.3 | -16.4 | 0 | 0 | 0 | 120.6 | ||||
| 840 | N | 31.2 | Very low | 28.9 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | cis | -158.5 | 158.4 | 9.5 | -141.3 | -15.1 | 0 | 0 | 0 | 113.6 | ||||
| 841 | S | 30.3 | Very low | 28.8 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | 61.3 | 151.2 | 151.4 | 62.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 842 | R | 30 | Very low | 28.8 | Very low | 239 Ų | 239 | 131.3 Ų | 131.3 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | cis | -155.1 | 165.1 | -5.5 | -121.3 | 174.5 | 173.5 | 175.2 | -2.5 | 110.6 | ||||
| 843 | P | 32.6 | Very low | 28.5 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -115.9 | 176.3 | -169.5 | 43 | -33.3 | 0 | 0 | 0 | 115.3 | ||||
| 844 | V | 29.7 | Very low | 28.4 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -178.9 | 143.5 | 158.2 | 136 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 845 | S | 34 | Very low | 28.4 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | cis | -156.4 | 152.4 | -17.7 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 846 | A | 25.9 | Very low | 28.3 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -49.2 | 140.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 847 | L | 27 | Very low | 28.2 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | -161.7 | 162.4 | 129.7 | -106.2 | 163.1 | 0 | 0 | 0 | 110.5 | |||||
| 848 | D | 30 | Very low | 28.1 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | 74.8 | 35.3 | 176.7 | -61.6 | -3 | 0 | 0 | 0 | 119.7 | I850 | D848-I850 PolarHBondContact O-N 3.02Š| ||
| 849 | E | 26.5 | Very low | 28 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 62 | 162.9 | -166.3 | -168 | 157.4 | 0 | 0 | 112.7 | ||
| 850 | I | 26.7 | Very low | 27.9 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.2 | -29.4 | 179.4 | -84.3 | 172.3 | 0 | 0 | 0 | 114.4 | D848 | D848-I850 PolarHBondContact O-N 3.02Š|
| 851 | A | 26.6 | Very low | 27.7 | Very low | 100 Ų | 100 | 149.5 Ų | 149.5 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -89 | -16.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116 | R853 | A851-R853 PolarHBondContact O-N 3.12Š|
| 852 | S | 27.2 | Very low | 27.4 | Very low | 113 Ų | 113 | 150.3 Ų | 150.3 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -101.5 | 68.7 | -167.4 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 853 | R | 23.6 | Very low | 27.3 | Very low | 230 Ų | 230 | 146.1 Ų | 146.1 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -144.5 | 59.2 | 175.1 | -153.6 | 176.9 | -172.9 | 176.2 | 3.3 | 115.3 | A851 | A851-R853 PolarHBondContact O-N 3.12Š| ||
| 854 | W | 24.5 | Very low | 27.1 | Very low | 237 Ų | 237 | 145.3 Ų | 145.3 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -161.5 | 155.3 | 141.8 | -105.8 | 26.4 | 0 | 0 | 0 | 110.5 | ||
| 855 | D | 26.4 | Very low | 27 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | 51.6 | 101.2 | 172.4 | -148.8 | -3.9 | 0 | 0 | 0 | 119.9 | ||||
| 856 | S | 25.8 | Very low | 26.7 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -166.8 | 95.9 | 153.3 | -87.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 857 | S | 26.9 | Very low | 26.7 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -163 | 63.4 | 153.6 | -165.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 858 | S | 26.2 | Very low | 26.7 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -87.3 | 119.1 | 157.7 | 70 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 859 | N | 28.4 | Very low | 26.5 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -114.4 | 142 | 166.4 | -152.7 | -7.4 | 0 | 0 | 0 | 110.9 | ||||
| 860 | K | 27.4 | Very low | 26.5 | Very low | 150 Ų | 150 | 142 Ų | 142 | 65% | 0.652 | 80% | 0.8 | S | S | * | * | trans | -99 | 149.6 | -167.3 | -64.8 | 173.2 | 178.2 | 174.6 | 0 | 111.1 | ||||
| 861 | Q | 26.6 | Very low | 26.5 | Very low | 194 Ų | 194 | 140.1 Ų | 140.1 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | -155.1 | 143.9 | 128.7 | -113.8 | 164.9 | 11.3 | 0 | 0 | 111.8 | |||||
| 862 | S | 24.4 | Very low | 26.5 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -156 | 142.1 | 175.1 | -57 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 863 | T | 27.8 | Very low | 26.4 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | trans | -135.8 | 155 | 172.2 | 43.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 864 | S | 27.7 | Very low | 26.5 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -123.4 | 178.9 | -156.8 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 865 | N | 28 | Very low | 26.5 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | 165.5 | 130.7 | 125.5 | -80.6 | -4.8 | 0 | 0 | 0 | 113.4 | |||||
| 866 | I | 27.8 | Very low | 26.6 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | 86.2 | 129.7 | 112.4 | -71.5 | 177.8 | 0 | 0 | 0 | 114.2 | |||||
| 867 | T | 26.3 | Very low | 26.6 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | cis | -154 | -161.7 | 1.5 | 14.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 868 | T | 26.4 | Very low | 26.7 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | trans | -73.9 | -174.6 | -179.6 | 55.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 869 | T | 26.4 | Very low | 26.8 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | cis | -158.5 | -173.1 | 20.4 | -19.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 870 | T | 26.7 | Very low | 26.9 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | cis | -159.2 | -174.2 | 12.7 | -21.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 871 | T | 25.8 | Very low | 27.1 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | -90 | 179.8 | 178.3 | -4.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 872 | T | 26.7 | Very low | 27.5 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | cis | -163.9 | -174.6 | 43.6 | -38.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 873 | T | 24.4 | Very low | 27.6 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | trans | -138 | -175.2 | -162.4 | -28.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 874 | I | 25.7 | Very low | 27.6 | Very low | 146 Ų | 146 | 120 Ų | 120 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | trans | 115.8 | 116.2 | 165.9 | -65.7 | 162.6 | 0 | 0 | 0 | 113.3 | ||||
| 875 | T | 25.5 | Very low | 27.7 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | 75.6 | 144.9 | 61.6 | 56.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 876 | T | 27 | Very low | 27.5 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 69% | 0.693 | 71% | 0.706 | S | S | * | * | cis | -167.6 | 163.2 | 18.4 | -7.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 877 | T | 27.1 | Very low | 27.5 | Very low | 120 Ų | 120 | 123 Ų | 123 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | trans | 65.6 | 157.3 | 151 | 49.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 878 | T | 27.8 | Very low | 27.6 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | cis | -159.9 | 155.1 | 6.8 | -4.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 879 | N | 29 | Very low | 27.7 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | trans | 75.1 | 132 | 140.5 | -87 | -14.1 | 0 | 0 | 0 | 128.2 | ||||
| 880 | N | 30.9 | Very low | 28 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 57% | 0.567 | 71% | 0.708 | S | S | * | * | trans | 67.2 | 144 | 134.3 | -68.4 | 4.7 | 0 | 0 | 0 | 121.9 | R1121 | N880-R1121 VanDerWaalsContact OD1-CZ 3.3Å; N880-R1121 PolarHBondContact OD1-NH1 3.39Å; N880-R1121 PolarHBondContact OD1-NH2 3.22Å; N880-R1121 VanDerWaalsContact OD1-NH2 3.1Å | ||
| 881 | N | 30.9 | Very low | 28.3 | Very low | 88 Ų | 88 | 124.7 Ų | 124.7 | 47% | 0.471 | 71% | 0.705 | S | S | . | * | cis | -164 | -177.4 | -13.4 | -139.8 | 5.7 | 0 | 0 | 0 | 113.4 | H1120 R1121 | N881-H1120 PolarHBondContact O-CE1 2.65Å; N881-H1120 VanDerWaalsContact O-CE1 3.3Å; N881-R1121 PolarHBondContact OD1-NH1 3.38Å | ||
| 882 | N | 34.6 | Very low | 28.6 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 60% | 0.599 | 70% | 0.7 | S | S | * | * | trans | 105.6 | 155.6 | 165.2 | -61 | -10.6 | 0 | 0 | 0 | 117.5 | H1120 | N882-H1120 PolarHBondContact O-CE1 2.99Å; N882-H1120 VanDerWaalsContact O-CE1 3.29Å; N882-H1120 PolarHBondContact O-ND1 2.94Å | ||
| 883 | N | 27.3 | Very low | 28.8 | Very low | 99 Ų | 99 | 121.5 Ų | 121.5 | 53% | 0.529 | 68% | 0.683 | S | S | . | * | trans | -132.2 | 153.4 | -173.8 | -44.8 | -80.7 | 0 | 0 | 0 | 110.8 | ||||
| 884 | N | 27.5 | Very low | 29.2 | Very low | 153 Ų | 153 | 123.1 Ų | 123.1 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | 153.1 | 94.2 | 126.8 | -79 | -16.8 | 0 | 0 | 0 | 114.2 | |||||
| 885 | S | 30.6 | Very low | 29.8 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 85% | 0.853 | 66% | 0.662 | S | S | * | * | trans | -170.2 | 132.5 | 137.6 | 47.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 886 | I | 24.1 | Very low | 30.2 | Very low | 141 Ų | 141 | 116.5 Ų | 116.5 | 72% | 0.723 | 65% | 0.647 | S | S | * | * | trans | -139.4 | 151.3 | 165.4 | -63.4 | 179.2 | 0 | 0 | 0 | 104.5 | ||||
| 887 | I | 25.9 | Very low | 30.6 | Very low | 169 Ų | 169 | 116.9 Ų | 116.9 | 87% | 0.867 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 95.8 | 84.8 | -172.1 | -51.9 | 156 | 0 | 0 | 0 | 112.5 | ||
| 888 | S | 28.8 | Very low | 31.1 | Very low | 86 Ų | 86 | 117.8 Ų | 117.8 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | trans | -164.7 | -41.4 | 166.5 | 46 | 0 | 0 | 0 | 0 | 114.5 | N890 | S888-N890 VanDerWaalsContact C-N 3.29Å; S888-N890 PolarHBondContact O-N 3.29Å | ||
| 889 | D | 29.5 | Very low | 31.7 | Very low | 128 Ų | 128 | 115.2 Ų | 115.2 | 68% | 0.684 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 5.8 | -148.4 | -58.3 | -24.5 | 0 | 0 | 0 | 117.7 | Q891 | D889-Q891 VanDerWaalsContact C-N 3.31Å; D889-Q891 PolarHBondContact O-N 3.37Å |
| 890 | N | 31.8 | Very low | 32.2 | Very low | 155 Ų | 155 | 116 Ų | 116 | 83% | 0.829 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 15.2 | -175.9 | -140.2 | 2.2 | 0 | 0 | 0 | 114.6 | S888 | S888-N890 VanDerWaalsContact C-N 3.29Å; S888-N890 PolarHBondContact O-N 3.29Å |
| 891 | Q | 32.6 | Very low | 32.6 | Very low | 158 Ų | 158 | 116 Ų | 116 | 74% | 0.738 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -116.6 | -32.4 | 174.3 | -70.1 | -168.6 | -13.3 | 0 | 0 | 114.3 | D889 S893 R894 | D889-Q891 VanDerWaalsContact C-N 3.31Å; D889-Q891 PolarHBondContact O-N 3.37Å; Q891-S893 PolarHBondContact O-N 2.92Å; Q891-R894 WeakPolarHBondContact O-CB 3.45Å; Q891-R894 PolarHBondContact O-N 3.18Å |
| 892 | N | 32.1 | Very low | 33.1 | Very low | 119 Ų | 119 | 117 Ų | 117 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.8 | -18.4 | -175.1 | -75.3 | -28.1 | 0 | 0 | 0 | 114.3 | R894 S895 | N892-R894 VanDerWaalsContact C-N 3.31Å; N892-S895 PolarHBondContact O-OG 3.4Å |
| 893 | S | 31.5 | Very low | 33.7 | Very low | 67 Ų | 67 | 116.3 Ų | 116.3 | 47% | 0.469 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.7 | -29.3 | 171.3 | 51.5 | 0 | 0 | 0 | 0 | 113 | Q891 L897 | Q891-S893 PolarHBondContact O-N 2.92Å; S893-L897 PolarHBondContact O-N 2.81Å |
| 894 | R | 32.4 | Very low | 34.2 | Very low | 158 Ų | 158 | 117.2 Ų | 117.2 | 60% | 0.596 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -78.2 | -40.4 | -172.9 | -144.3 | 167.4 | -178.1 | 157.3 | -1.9 | 112 | Q891 N892 L897 Q898 | Q891-R894 WeakPolarHBondContact O-CB 3.45Å; Q891-R894 PolarHBondContact O-N 3.18Å; N892-R894 VanDerWaalsContact C-N 3.31Å; R894-L897 PolarHBondContact O-N 3.29Å; R894-Q898 PolarHBondContact O-N 2.98Å; R894-Q898 VanDerWaalsContact O-N 3.16Å |
| 895 | S | 37.9 | Very low | 34.8 | Very low | 65 Ų | 65 | 114.2 Ų | 114.2 | 46% | 0.455 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.3 | -35.9 | 174.4 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | N892 L897 Q898 S899 | N892-S895 PolarHBondContact O-OG 3.4Å; S895-L897 VanDerWaalsContact C-N 3.31Å; S895-L897 PolarHBondContact O-N 2.79Å; S895-Q898 PolarHBondContact O-N 3Å; S895-S899 PolarHBondContact O-N 2.86Å; S895-S899 PolarHBondContact O-OG 2.82Å |
| 896 | S | 35.4 | Very low | 35.3 | Very low | 55 Ų | 55 | 115.6 Ų | 115.6 | 39% | 0.385 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.3 | -33.2 | 174.7 | -177 | 0 | 0 | 0 | 0 | 113.4 | S899 K900 | S896-S899 PolarHBondContact O-OG 2.75Å; S896-K900 WeakPolarHBondContact O-CG 3.4Å; S896-K900 PolarHBondContact O-N 3.36Å |
| 897 | L | 34.7 | Very low | 36.2 | Very low | 121 Ų | 121 | 113.8 Ų | 113.8 | 63% | 0.634 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -77.9 | -39.5 | 174.6 | -75.1 | 169.6 | 0 | 0 | 0 | 112.1 | S893 R894 S895 K900 L901 | S893-L897 PolarHBondContact O-N 2.81Å; R894-L897 PolarHBondContact O-N 3.29Å; S895-L897 VanDerWaalsContact C-N 3.31Å; S895-L897 PolarHBondContact O-N 2.79Å; L897-K900 PolarHBondContact O-N 2.87Å; L897-L901 WeakPolarHBondContact O-CB 3.43Å; L897-L901 PolarHBondContact O-N 3.01Å |
| 898 | Q | 37.4 | Very low | 36.7 | Very low | 140 Ų | 140 | 109.6 Ų | 109.6 | 65% | 0.654 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.3 | -42.2 | 175.2 | -75.3 | -179.4 | -48.6 | 0 | 0 | 112.4 | R894 S895 L901 H902 | R894-Q898 PolarHBondContact O-N 2.98Å; R894-Q898 VanDerWaalsContact O-N 3.16Å; S895-Q898 PolarHBondContact O-N 3Å; Q898-L901 PolarHBondContact O-N 3.16Å; Q898-H902 VanDerWaalsContact O-CB 3.26Å; Q898-H902 WeakPolarHBondContact O-CB 3.4Å; Q898-H902 PolarHBondContact O-N 3.38Å |
| 899 | S | 41.4 | Very low | 37 | Very low | 62 Ų | 62 | 111.3 Ų | 111.3 | 43% | 0.434 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.3 | -39.4 | 178 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | S895 S896 N903 | S895-S899 PolarHBondContact O-N 2.86Å; S895-S899 PolarHBondContact O-OG 2.82Å; S896-S899 PolarHBondContact O-OG 2.75Å; S899-N903 WeakPolarHBondContact O-CB 3.41Å; S899-N903 VanDerWaalsContact O-CG 3.28Å; S899-N903 PolarHBondContact O-N 3.45Å |
| 900 | K | 40 | Very low | 37.4 | Very low | 131 Ų | 131 | 112.8 Ų | 112.8 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.7 | -44.4 | 172.3 | -77.8 | 178 | 175.9 | 179.1 | 0 | 112.4 | S896 L897 N903 L904 | S896-K900 WeakPolarHBondContact O-CG 3.4Å; S896-K900 PolarHBondContact O-N 3.36Å; L897-K900 PolarHBondContact O-N 2.87Å; K900-N903 PolarHBondContact O-N 2.85Å; K900-L904 WeakPolarHBondContact O-CG 3.41Å; K900-L904 PolarHBondContact O-N 3.04Å |
| 901 | L | 38 | Very low | 37.6 | Very low | 108 Ų | 108 | 112.1 Ų | 112.1 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70 | -37.2 | -179.3 | -167.5 | 144.6 | 0 | 0 | 0 | 112.2 | L897 Q898 L904 L905 | L897-L901 WeakPolarHBondContact O-CB 3.43Å; L897-L901 PolarHBondContact O-N 3.01Å; Q898-L901 PolarHBondContact O-N 3.16Å; L901-L904 PolarHBondContact O-N 2.99Å; L901-L905 HydrophobicContact CD2-CD1 3.8Å; L901-L905 PolarHBondContact O-N 3.26Å |
| 902 | H | 42.1 | Very low | 37.6 | Very low | 108 Ų | 108 | 110.2 Ų | 110.2 | 50% | 0.5 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.5 | -38.6 | 172.7 | -178.8 | -98.1 | 0 | 0 | 0 | 112.4 | Q898 K906 | Q898-H902 VanDerWaalsContact O-CB 3.26Å; Q898-H902 WeakPolarHBondContact O-CB 3.4Å; Q898-H902 PolarHBondContact O-N 3.38Å; H902-K906 PolarHBondContact O-N 2.89Å; H902-K906 VanDerWaalsContact O-N 3.12Å |
| 903 | N | 47.2 | Very low | 37.4 | Very low | 98 Ų | 98 | 114 Ų | 114 | 52% | 0.524 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.1 | -38.8 | 173.9 | -73.5 | -6.2 | 0 | 0 | 0 | 112.1 | S899 K900 L905 K906 T907 | S899-N903 WeakPolarHBondContact O-CB 3.41Å; S899-N903 VanDerWaalsContact O-CG 3.28Å; S899-N903 PolarHBondContact O-N 3.45Å; K900-N903 PolarHBondContact O-N 2.85Å; N903-L905 PolarHBondContact O-N 3.5Å; N903-K906 PolarHBondContact O-N 3.15Å; N903-T907 PolarHBondContact O-N 3.26Å; N903-T907 PolarHBondContact O-OG1 2.85Å |
| 904 | L | 38 | Very low | 37.3 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 61% | 0.613 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61 | -42.9 | 174.2 | -77 | 166.9 | 0 | 0 | 0 | 112.1 | K900 L901 K906 T907 S908 | K900-L904 WeakPolarHBondContact O-CG 3.41Å; K900-L904 PolarHBondContact O-N 3.04Å; L901-L904 PolarHBondContact O-N 2.99Å; L904-K906 VanDerWaalsContact C-N 3.31Å; L904-K906 PolarHBondContact O-N 2.95Å; L904-T907 WeakPolarHBondContact CA-OG1 3.49Å; L904-T907 PolarHBondContact O-N 3.03Å; L904-T907 VanDerWaalsContact O-N 3.12Å; L904-T907 PolarHBondContact O-OG1 2.95Å; L904-S908 PolarHBondContact O-N 3.11Å; L904-S908 VanDerWaalsContact O-N 3.16Å; L904-S908 PolarHBondContact O-OG 3.11Å |
| 905 | L | 39.2 | Very low | 37.3 | Very low | 90 Ų | 90 | 121.3 Ų | 121.3 | 47% | 0.471 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -63.5 | -33.2 | 174.2 | -80 | 167.8 | 0 | 0 | 0 | 113.2 | L901 N903 S908 | L901-L905 HydrophobicContact CD2-CD1 3.8Å; L901-L905 PolarHBondContact O-N 3.26Å; N903-L905 PolarHBondContact O-N 3.5Å; L905-S908 WeakPolarHBondContact CA-OG 3.32Å; L905-S908 PolarHBondContact O-OG 2.99Å |
| 906 | K | 41.4 | Very low | 36.7 | Very low | 152 Ų | 152 | 123.6 Ų | 123.6 | 66% | 0.661 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.1 | -33 | 171.4 | -80.5 | -167.5 | 170 | -168.6 | 0 | 113 | H902 N903 L904 | H902-K906 PolarHBondContact O-N 2.89Å; H902-K906 VanDerWaalsContact O-N 3.12Å; N903-K906 PolarHBondContact O-N 3.15Å; L904-K906 VanDerWaalsContact C-N 3.31Å; L904-K906 PolarHBondContact O-N 2.95Å |
| 907 | T | 42.3 | Very low | 36.4 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -79.3 | -13.9 | 177.7 | 50 | 0 | 0 | 0 | 0 | 114.6 | N903 L904 | N903-T907 PolarHBondContact O-N 3.26Å; N903-T907 PolarHBondContact O-OG1 2.85Å; L904-T907 WeakPolarHBondContact CA-OG1 3.49Å; L904-T907 PolarHBondContact O-N 3.03Å; L904-T907 VanDerWaalsContact O-N 3.12Å; L904-T907 PolarHBondContact O-OG1 2.95Å |
| 908 | S | 36.5 | Very low | 36.1 | Very low | 81 Ų | 81 | 127.4 Ų | 127.4 | 57% | 0.566 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 4.4 | -178.1 | 52.5 | 0 | 0 | 0 | 0 | 115.4 | L904 L905 | L904-S908 PolarHBondContact O-N 3.11Å; L904-S908 VanDerWaalsContact O-N 3.16Å; L904-S908 PolarHBondContact O-OG 3.11Å; L905-S908 WeakPolarHBondContact CA-OG 3.32Å; L905-S908 PolarHBondContact O-OG 2.99Å |
| 909 | I | 36.1 | Very low | 35.8 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | trans | -123.2 | 69.9 | -178.2 | -47.8 | -179.6 | 0 | 0 | 0 | 110.3 | I911 | I909-I911 HydrophobicContact CG2-CD1 4.5Å; I909-I911 HydrophobicContact CG2-CG1 4.28Å | ||
| 910 | N | 37.4 | Very low | 35.4 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | trans | -91 | 107 | 163.6 | -92.3 | -2.1 | 0 | 0 | 0 | 109.1 | ||||
| 911 | I | 35.2 | Very low | 35.4 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 73% | 0.728 | 71% | 0.709 | S | S | * | * | trans | -89.2 | 129.4 | 168.9 | -59.7 | 174.7 | 0 | 0 | 0 | 107.4 | I909 E913 | I909-I911 HydrophobicContact CG2-CD1 4.5Å; I909-I911 HydrophobicContact CG2-CG1 4.28Å; I911-E913 PolarHBondContact O-N 2.71Å | ||
| 912 | P | 32.6 | Very low | 35.4 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | trans | -67.3 | 130.1 | 179.3 | -21 | 33.2 | 0 | 0 | 0 | 113 | E914 | P912-E914 PolarHBondContact O-N 2.96Å; P912-E914 VanDerWaalsContact O-N 3.11Å | ||
| 913 | E | 28.7 | Very low | 35.6 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 93% | 0.925 | 72% | 0.719 | S | S | * | * | trans | -80.3 | 75.1 | 174 | -68.5 | -171.6 | 114.3 | 0 | 0 | 112 | I911 | I911-E913 PolarHBondContact O-N 2.71Š| ||
| 914 | E | 30.3 | Very low | 35.7 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | trans | -151.7 | 56.9 | 169.7 | -142 | 171.8 | -138.7 | 0 | 0 | 115.9 | P912 | P912-E914 PolarHBondContact O-N 2.96Å; P912-E914 VanDerWaalsContact O-N 3.11Å | ||
| 915 | Q | 30.9 | Very low | 36.4 | Very low | 202 Ų | 202 | 141 Ų | 141 | 94% | 0.944 | 72% | 0.723 | S | S | * | * | trans | -163.8 | 95.5 | 150 | -116.5 | 164.3 | 63.7 | 0 | 0 | 112.6 | N917 | Q915-N917 PolarHBondContact O-N 2.92Š| ||
| 916 | S | 26.3 | Very low | 37 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | trans | -85.9 | 104.9 | 173.4 | 48.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 917 | N | 28.3 | Very low | 37.6 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | trans | 172.3 | 151.3 | 131.8 | -89.7 | -42.2 | 0 | 0 | 0 | 113.2 | Q915 | Q915-N917 PolarHBondContact O-N 2.92Š| ||
| 918 | S | 28.2 | Very low | 38.8 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | trans | 76.6 | 159.5 | 177.5 | -154.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 919 | Y | 32.5 | Very low | 39.8 | Very low | 200 Ų | 200 | 139.7 Ų | 139.7 | 78% | 0.784 | 71% | 0.711 | S | S | * | * | trans | 61.4 | 84.9 | 177.4 | -58 | -71.4 | 0 | 0 | 0 | 117.9 | I921 | Y919-I921 PolarHBondContact O-N 3.31Š| ||
| 920 | K | 31.3 | Very low | 40.9 | Very low | 210 Ų | 210 | 138.5 Ų | 138.5 | 91% | 0.913 | 71% | 0.705 | S | S | * | * | trans | -55.4 | 125 | 148.9 | -71.6 | 178.8 | 174.9 | 179.4 | 0 | 109.2 | ||||
| 921 | I | 40.5 | Very low | 42.4 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | trans | -129 | 136.7 | 168.2 | -60.7 | -178.1 | 0 | 0 | 0 | 108 | Y919 | Y919-I921 PolarHBondContact O-N 3.31Š| ||
| 922 | N | 38.4 | Very low | 44.1 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 57% | 0.567 | 68% | 0.676 | S | S | * | * | trans | -75.8 | 142.2 | -161.3 | -62.7 | -12.5 | 0 | 0 | 0 | 113.6 | E924 N925 | N922-E924 VanDerWaalsContact C-N 3.27Å; N922-E924 PolarHBondContact O-N 3.35Å; N922-N925 PolarHBondContact O-N 3.11Å | ||
| 923 | H | 45.7 | Very low | 45.5 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 69% | 0.694 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -37.2 | -179.5 | -112 | -90.3 | 0 | 0 | 0 | 114 | N925 I926 D927 | H923-N925 PolarHBondContact O-N 3.17Å; H923-N925 VanDerWaalsContact O-N 3.14Å; H923-I926 WeakPolarHBondContact O-CB 3.49Å; H923-I926 PolarHBondContact O-N 2.9Å; H923-D927 PolarHBondContact O-N 3.05Å |
| 924 | E | 49.1 | Very low | 47 | Very low | 147 Ų | 147 | 125.3 Ų | 125.3 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -56.6 | -32.5 | -177 | -64.3 | 177 | 113 | 0 | 0 | 113.8 | N922 I926 D927 L928 | N922-E924 VanDerWaalsContact C-N 3.27Å; N922-E924 PolarHBondContact O-N 3.35Å; E924-I926 VanDerWaalsContact C-N 3.29Å; E924-I926 PolarHBondContact O-N 3.43Å; E924-D927 PolarHBondContact O-N 2.82Å; E924-L928 PolarHBondContact O-N 3.47Å |
| 925 | N | 52.8 | Low | 49 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 54% | 0.54 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.4 | -27.2 | 179.2 | -78.3 | -21.2 | 0 | 0 | 0 | 112.6 | N922 H923 L929 | N922-N925 PolarHBondContact O-N 3.11Å; H923-N925 PolarHBondContact O-N 3.17Å; H923-N925 VanDerWaalsContact O-N 3.14Å; N925-L929 WeakPolarHBondContact O-CB 3.28Å; N925-L929 PolarHBondContact O-N 3.16Å; N925-L929 VanDerWaalsContact O-N 3.11Å |
| 926 | I | 51.6 | Low | 50.9 | Low | 98 Ų | 98 | 118.8 Ų | 118.8 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -74.7 | -44.8 | 178 | -60.7 | 176.6 | 0 | 0 | 0 | 109.6 | H923 E924 L928 L929 I930 | H923-I926 WeakPolarHBondContact O-CB 3.49Å; H923-I926 PolarHBondContact O-N 2.9Å; E924-I926 VanDerWaalsContact C-N 3.29Å; E924-I926 PolarHBondContact O-N 3.43Å; I926-L928 VanDerWaalsContact C-N 3.32Å; I926-L928 PolarHBondContact O-N 3.16Å; I926-L929 PolarHBondContact O-N 2.92Å; I926-L929 VanDerWaalsContact O-N 3.17Å; I926-I930 HydrophobicContact CG2-CD1 3.82Å; I926-I930 HydrophobicContact CG2-CG1 4.46Å; I926-I930 WeakPolarHBondContact O-CG1 3.42Å; I926-I930 PolarHBondContact O-N 3.4Å |
| 927 | D | 54.7 | Low | 52.9 | Low | 86 Ų | 86 | 117.6 Ų | 117.6 | 46% | 0.46 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.3 | -34.7 | 176.4 | -70.8 | -45.2 | 0 | 0 | 0 | 112.3 | H923 E924 N931 | H923-D927 PolarHBondContact O-N 3.05Å; E924-D927 PolarHBondContact O-N 2.82Å; D927-N931 WeakPolarHBondContact O-CB 3.27Å; D927-N931 PolarHBondContact O-N 3.41Å; D927-N931 PolarHBondContact O-ND2 3.47Å |
| 928 | L | 67.8 | Low | 55 | Low | 99 Ų | 99 | 114.1 Ų | 114.1 | 52% | 0.518 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.5 | -43.4 | 170.7 | -102.9 | 167 | 0 | 0 | 0 | 112.3 | E924 I926 N931 N932 | E924-L928 PolarHBondContact O-N 3.47Å; I926-L928 VanDerWaalsContact C-N 3.32Å; I926-L928 PolarHBondContact O-N 3.16Å; L928-N931 PolarHBondContact O-N 3.17Å; L928-N932 WeakPolarHBondContact O-CB 3.39Å; L928-N932 PolarHBondContact O-N 3.35Å; L928-N932 PolarHBondContact O-ND2 3.09Å |
| 929 | L | 58.1 | Low | 57.3 | Low | 114 Ų | 114 | 114.5 Ų | 114.5 | 60% | 0.597 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.7 | -43.5 | 178.5 | -166.7 | 71.3 | 0 | 0 | 0 | 111.6 | N925 I926 N932 Q933 | N925-L929 WeakPolarHBondContact O-CB 3.28Å; N925-L929 PolarHBondContact O-N 3.16Å; N925-L929 VanDerWaalsContact O-N 3.11Å; I926-L929 PolarHBondContact O-N 2.92Å; I926-L929 VanDerWaalsContact O-N 3.17Å; L929-N932 PolarHBondContact O-N 3.14Å; L929-Q933 WeakPolarHBondContact O-CB 3.28Å; L929-Q933 WeakPolarHBondContact O-CG 3.46Å; L929-Q933 PolarHBondContact O-N 3.33Å |
| 930 | I | 59.4 | Low | 59.1 | Low | 99 Ų | 99 | 109 Ų | 109 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.4 | -68.8 | 169.3 | 0 | 0 | 0 | 110.9 | I926 N932 Q933 S934 | I926-I930 HydrophobicContact CG2-CD1 3.82Å; I926-I930 HydrophobicContact CG2-CG1 4.46Å; I926-I930 WeakPolarHBondContact O-CG1 3.42Å; I926-I930 PolarHBondContact O-N 3.4Å; I930-N932 VanDerWaalsContact C-N 3.35Å; I930-N932 PolarHBondContact O-N 3.4Å; I930-Q933 PolarHBondContact O-N 3.1Å; I930-S934 VanDerWaalsContact O-CB 3.27Å; I930-S934 WeakPolarHBondContact O-CB 3.36Å; I930-S934 PolarHBondContact O-N 2.87Å |
| 931 | N | 68.3 | Low | 61.1 | Low | 90 Ų | 90 | 104.5 Ų | 104.5 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 176.2 | -86.8 | -71.2 | 0 | 0 | 0 | 112.7 | D927 L928 K935 | D927-N931 WeakPolarHBondContact O-CB 3.27Å; D927-N931 PolarHBondContact O-N 3.41Å; D927-N931 PolarHBondContact O-ND2 3.47Å; L928-N931 PolarHBondContact O-N 3.17Å; N931-K935 WeakPolarHBondContact O-CG 3.47Å; N931-K935 PolarHBondContact O-N 2.9Å |
| 932 | N | 71.6 | Confident | 62.6 | Low | 87 Ų | 87 | 102.6 Ų | 102.6 | 47% | 0.465 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.3 | -40.4 | 177.6 | -73.2 | -24.2 | 0 | 0 | 0 | 112.4 | L928 L929 I930 K935 L936 | L928-N932 WeakPolarHBondContact O-CB 3.39Å; L928-N932 PolarHBondContact O-N 3.35Å; L928-N932 PolarHBondContact O-ND2 3.09Å; L929-N932 PolarHBondContact O-N 3.14Å; I930-N932 VanDerWaalsContact C-N 3.35Å; I930-N932 PolarHBondContact O-N 3.4Å; N932-K935 PolarHBondContact O-N 3.02Å; N932-L936 PolarHBondContact O-N 3.26Å |
| 933 | Q | 60.5 | Low | 64.3 | Low | 108 Ų | 108 | 102.2 Ų | 102.2 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.6 | -47 | 170 | -75.4 | -75.1 | -16.5 | 0 | 0 | 111.3 | L929 I930 K935 L936 I937 | L929-Q933 WeakPolarHBondContact O-CB 3.28Å; L929-Q933 WeakPolarHBondContact O-CG 3.46Å; L929-Q933 PolarHBondContact O-N 3.33Å; I930-Q933 PolarHBondContact O-N 3.1Å; Q933-K935 PolarHBondContact O-N 3.49Å; Q933-L936 PolarHBondContact O-N 3.07Å; Q933-I937 VanDerWaalsContact O-CG1 3.32Å; Q933-I937 WeakPolarHBondContact O-CG1 3.48Å; Q933-I937 PolarHBondContact O-N 2.92Å |
| 934 | S | 61.5 | Low | 65.3 | Low | 53 Ų | 53 | 100 Ų | 100 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 176.3 | 179.4 | 0 | 0 | 0 | 0 | 112.4 | I930 L936 I937 N938 | I930-S934 VanDerWaalsContact O-CB 3.27Å; I930-S934 WeakPolarHBondContact O-CB 3.36Å; I930-S934 PolarHBondContact O-N 2.87Å; S934-L936 PolarHBondContact O-N 2.74Å; S934-I937 PolarHBondContact O-N 3.34Å; S934-N938 WeakPolarHBondContact O-CB 3.33Å; S934-N938 PolarHBondContact O-N 3.28Å; S934-N938 PolarHBondContact O-ND2 2.97Å; S934-N938 PolarHBondContact OG-ND2 2.93Å |
| 935 | K | 72 | Confident | 66.3 | Low | 141 Ų | 141 | 97.3 Ų | 97.3 | 61% | 0.613 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 175.4 | -76.8 | 173.5 | -179.4 | 175.3 | 0 | 112.4 | N931 N932 Q933 N938 H939 | N931-K935 WeakPolarHBondContact O-CG 3.47Å; N931-K935 PolarHBondContact O-N 2.9Å; N932-K935 PolarHBondContact O-N 3.02Å; Q933-K935 PolarHBondContact O-N 3.49Å; K935-N938 PolarHBondContact O-N 3.06Å; K935-H939 WeakPolarHBondContact O-CB 3.28Å; K935-H939 PolarHBondContact O-N 2.87Å |
| 936 | L | 70.9 | Confident | 67.5 | Low | 101 Ų | 101 | 97.7 Ų | 97.7 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 179.4 | -173.2 | 65.5 | 0 | 0 | 0 | 111.9 | N932 Q933 S934 H939 N940 | N932-L936 PolarHBondContact O-N 3.26Å; Q933-L936 PolarHBondContact O-N 3.07Å; S934-L936 PolarHBondContact O-N 2.74Å; L936-H939 PolarHBondContact O-N 3.24Å; L936-N940 PolarHBondContact O-N 3.27Å |
| 937 | I | 67.9 | Low | 68.6 | Low | 89 Ų | 89 | 95.7 Ų | 95.7 | 46% | 0.456 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 176.6 | -68.6 | 165.2 | 0 | 0 | 0 | 110.7 | Q933 S934 H939 N940 F941 | Q933-I937 VanDerWaalsContact O-CG1 3.32Å; Q933-I937 WeakPolarHBondContact O-CG1 3.48Å; Q933-I937 PolarHBondContact O-N 2.92Å; S934-I937 PolarHBondContact O-N 3.34Å; I937-H939 PolarHBondContact O-N 3.41Å; I937-N940 PolarHBondContact O-N 3.14Å; I937-F941 WeakPolarHBondContact O-CB 3.42Å; I937-F941 PolarHBondContact O-N 2.86Å |
| 938 | N | 72.5 | Confident | 69.4 | Low | 88 Ų | 88 | 96.3 Ų | 96.3 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66 | -36.4 | 177.5 | -77.2 | -67.2 | 0 | 0 | 0 | 112.6 | S934 K935 F941 N942 | S934-N938 WeakPolarHBondContact O-CB 3.33Å; S934-N938 PolarHBondContact O-N 3.28Å; S934-N938 PolarHBondContact O-ND2 2.97Å; S934-N938 PolarHBondContact OG-ND2 2.93Å; K935-N938 PolarHBondContact O-N 3.06Å; N938-F941 PolarHBondContact O-N 3.33Å; N938-N942 WeakPolarHBondContact O-CB 3.49Å; N938-N942 PolarHBondContact O-N 3.12Å; N938-N942 PolarHBondContact O-ND2 3.06Å |
| 939 | H | 75.9 | Confident | 69.9 | Low | 103 Ų | 103 | 96.5 Ų | 96.5 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -49.9 | 173.5 | -172.9 | 80.1 | 0 | 0 | 0 | 111.2 | K935 L936 I937 F941 N942 Q943 | K935-H939 WeakPolarHBondContact O-CB 3.28Å; K935-H939 PolarHBondContact O-N 2.87Å; L936-H939 PolarHBondContact O-N 3.24Å; I937-H939 PolarHBondContact O-N 3.41Å; H939-F941 VanDerWaalsContact C-N 3.31Å; H939-F941 PolarHBondContact O-N 3.14Å; H939-N942 PolarHBondContact O-N 3.5Å; H939-Q943 PolarHBondContact NE2-NE2 3.5Å; H939-Q943 VanDerWaalsContact NE2-NE2 3.15Å; H939-Q943 WeakPolarHBondContact O-CG 3.46Å; H939-Q943 PolarHBondContact O-N 2.99Å |
| 940 | N | 70.8 | Confident | 70.8 | Confident | 83 Ų | 83 | 94.3 Ų | 94.3 | 44% | 0.444 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 178.6 | -69.6 | -10.3 | 0 | 0 | 0 | 112.2 | L936 I937 Q943 L944 | L936-N940 PolarHBondContact O-N 3.27Å; I937-N940 PolarHBondContact O-N 3.14Å; N940-Q943 PolarHBondContact O-N 2.95Å; N940-L944 WeakPolarHBondContact O-CB 3.4Å; N940-L944 WeakPolarHBondContact O-CG 3.36Å; N940-L944 PolarHBondContact O-N 2.7Å |
| 941 | F | 72.3 | Confident | 71.5 | Confident | 117 Ų | 117 | 93.5 Ų | 93.5 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 175.5 | -167.6 | -86.7 | 0 | 0 | 0 | 112.1 | I937 N938 H939 L944 Q945 | I937-F941 WeakPolarHBondContact O-CB 3.42Å; I937-F941 PolarHBondContact O-N 2.86Å; N938-F941 PolarHBondContact O-N 3.33Å; H939-F941 VanDerWaalsContact C-N 3.31Å; H939-F941 PolarHBondContact O-N 3.14Å; F941-L944 PolarHBondContact O-N 3.04Å; F941-Q945 WeakPolarHBondContact O-CB 3.42Å; F941-Q945 PolarHBondContact O-N 3.17Å |
| 942 | N | 73.6 | Confident | 71.9 | Confident | 94 Ų | 94 | 94.2 Ų | 94.2 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 175.6 | -73.8 | -18.9 | 0 | 0 | 0 | 112.1 | N938 H939 Q945 L946 | N938-N942 WeakPolarHBondContact O-CB 3.49Å; N938-N942 PolarHBondContact O-N 3.12Å; N938-N942 PolarHBondContact O-ND2 3.06Å; H939-N942 PolarHBondContact O-N 3.5Å; N942-Q945 PolarHBondContact O-N 3.44Å; N942-L946 WeakPolarHBondContact O-CG 3.48Å; N942-L946 PolarHBondContact O-N 3.5Å |
| 943 | Q | 72.9 | Confident | 72.3 | Confident | 99 Ų | 99 | 95.8 Ų | 95.8 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 174.8 | -65.2 | -72.8 | 20.6 | 0 | 0 | 111.8 | H939 N940 Q945 L946 S947 | H939-Q943 PolarHBondContact NE2-NE2 3.5Å; H939-Q943 VanDerWaalsContact NE2-NE2 3.15Å; H939-Q943 WeakPolarHBondContact O-CG 3.46Å; H939-Q943 PolarHBondContact O-N 2.99Å; N940-Q943 PolarHBondContact O-N 2.95Å; Q943-Q945 VanDerWaalsContact C-N 3.34Å; Q943-L946 PolarHBondContact O-N 3.34Å; Q943-S947 WeakPolarHBondContact O-CB 3.44Å; Q943-S947 PolarHBondContact O-N 3.44Å |
| 944 | L | 67.1 | Low | 73.1 | Confident | 104 Ų | 104 | 98.3 Ų | 98.3 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 172.4 | -80.3 | 164.4 | 0 | 0 | 0 | 112.2 | N940 F941 N948 | N940-L944 WeakPolarHBondContact O-CB 3.4Å; N940-L944 WeakPolarHBondContact O-CG 3.36Å; N940-L944 PolarHBondContact O-N 2.7Å; F941-L944 PolarHBondContact O-N 3.04Å; L944-N948 WeakPolarHBondContact O-CB 3.31Å; L944-N948 VanDerWaalsContact O-CG 3.24Å; L944-N948 PolarHBondContact O-N 3.19Å; L944-N948 PolarHBondContact O-ND2 3.07Å |
| 945 | Q | 70.2 | Confident | 73.9 | Confident | 90 Ų | 90 | 100.5 Ų | 100.5 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 177.4 | -160.9 | 180 | -73.1 | 0 | 0 | 111.8 | F941 N942 Q943 Q949 | F941-Q945 WeakPolarHBondContact O-CB 3.42Å; F941-Q945 PolarHBondContact O-N 3.17Å; N942-Q945 PolarHBondContact O-N 3.44Å; Q943-Q945 VanDerWaalsContact C-N 3.34Å; Q945-Q949 WeakPolarHBondContact O-CB 3.26Å; Q945-Q949 PolarHBondContact O-N 3.41Å |
| 946 | L | 76.9 | Confident | 74.3 | Confident | 108 Ų | 108 | 97.4 Ų | 97.4 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.5 | -45.2 | 173.7 | -71.7 | 168.7 | 0 | 0 | 0 | 112 | N942 Q943 Q949 S950 | N942-L946 WeakPolarHBondContact O-CG 3.48Å; N942-L946 PolarHBondContact O-N 3.5Å; Q943-L946 PolarHBondContact O-N 3.34Å; L946-Q949 PolarHBondContact O-N 2.97Å; L946-S950 PolarHBondContact O-N 2.92Å |
| 947 | S | 74.8 | Confident | 74.8 | Confident | 56 Ų | 56 | 97.5 Ų | 97.5 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 176.1 | -176.2 | 0 | 0 | 0 | 0 | 112 | Q943 Q949 S950 I951 | Q943-S947 WeakPolarHBondContact O-CB 3.44Å; Q943-S947 PolarHBondContact O-N 3.44Å; S947-Q949 VanDerWaalsContact C-N 3.28Å; S947-Q949 PolarHBondContact O-N 3.07Å; S947-S950 PolarHBondContact O-N 2.87Å; S947-S950 PolarHBondContact O-OG 3.38Å; S947-I951 WeakPolarHBondContact O-CB 3.28Å; S947-I951 WeakPolarHBondContact O-CD1 3.33Å; S947-I951 VanDerWaalsContact O-CG1 3.26Å; S947-I951 WeakPolarHBondContact O-CG1 3.42Å; S947-I951 PolarHBondContact O-N 3.01Å |
| 948 | N | 73.4 | Confident | 75.4 | Confident | 100 Ų | 100 | 96.9 Ų | 96.9 | 54% | 0.535 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.7 | -33.1 | 175.5 | -74.2 | -36.5 | 0 | 0 | 0 | 112.5 | L944 L952 | L944-N948 WeakPolarHBondContact O-CB 3.31Å; L944-N948 VanDerWaalsContact O-CG 3.24Å; L944-N948 PolarHBondContact O-N 3.19Å; L944-N948 PolarHBondContact O-ND2 3.07Å; N948-L952 WeakPolarHBondContact O-CB 3.32Å; N948-L952 PolarHBondContact O-N 3.48Å |
| 949 | Q | 77.3 | Confident | 75.6 | Confident | 103 Ų | 103 | 99 Ų | 99 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.8 | -41.7 | 176.5 | -173.7 | 170.8 | -22.5 | 0 | 0 | 112 | Q945 L946 S947 L952 E953 | Q945-Q949 WeakPolarHBondContact O-CB 3.26Å; Q945-Q949 PolarHBondContact O-N 3.41Å; L946-Q949 PolarHBondContact O-N 2.97Å; S947-Q949 VanDerWaalsContact C-N 3.28Å; S947-Q949 PolarHBondContact O-N 3.07Å; Q949-L952 PolarHBondContact O-N 3.48Å; Q949-E953 PolarHBondContact O-N 3.36Å |
| 950 | S | 76.6 | Confident | 75.9 | Confident | 68 Ų | 68 | 98.2 Ų | 98.2 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.9 | -36.5 | 175.5 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | L946 S947 L952 E953 Y954 | L946-S950 PolarHBondContact O-N 2.92Å; S947-S950 PolarHBondContact O-N 2.87Å; S947-S950 PolarHBondContact O-OG 3.38Å; S950-L952 VanDerWaalsContact C-N 3.33Å; S950-E953 PolarHBondContact O-N 2.91Å; S950-Y954 WeakPolarHBondContact O-CB 3.41Å; S950-Y954 PolarHBondContact O-N 3.47Å |
| 951 | I | 75.1 | Confident | 76.4 | Confident | 82 Ų | 82 | 100.4 Ų | 100.4 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 171 | -68.6 | 165.2 | 0 | 0 | 0 | 110.7 | S947 Y954 L955 | S947-I951 WeakPolarHBondContact O-CB 3.28Å; S947-I951 WeakPolarHBondContact O-CD1 3.33Å; S947-I951 VanDerWaalsContact O-CG1 3.26Å; S947-I951 WeakPolarHBondContact O-CG1 3.42Å; S947-I951 PolarHBondContact O-N 3.01Å; I951-Y954 PolarHBondContact O-N 2.89Å; I951-L955 HydrophobicContact CG2-CD1 3.9Å; I951-L955 HydrophobicContact CG2-CG 4.4Å; I951-L955 WeakPolarHBondContact O-CB 3.23Å; I951-L955 VanDerWaalsContact O-CG 3.28Å; I951-L955 WeakPolarHBondContact O-CG 3.44Å; I951-L955 PolarHBondContact O-N 3.04Å |
| 952 | L | 76.6 | Confident | 76.6 | Confident | 104 Ų | 104 | 101.7 Ų | 101.7 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 178.2 | -170.1 | 69.6 | 0 | 0 | 0 | 112 | N948 Q949 S950 L955 I956 | N948-L952 WeakPolarHBondContact O-CB 3.32Å; N948-L952 PolarHBondContact O-N 3.48Å; Q949-L952 PolarHBondContact O-N 3.48Å; S950-L952 VanDerWaalsContact C-N 3.33Å; L952-L955 PolarHBondContact O-N 3.14Å; L952-I956 HydrophobicContact CG-CD1 4.04Å; L952-I956 WeakPolarHBondContact O-CB 3.22Å; L952-I956 WeakPolarHBondContact O-CD1 3.26Å; L952-I956 VanDerWaalsContact O-CG1 3.24Å; L952-I956 WeakPolarHBondContact O-CG1 3.42Å; L952-I956 PolarHBondContact O-N 3.22Å |
| 953 | E | 80.6 | Confident | 77 | Confident | 120 Ų | 120 | 103.2 Ų | 103.2 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.7 | -42 | 174.4 | -75.2 | 177.8 | -169.6 | 0 | 0 | 111.6 | Q949 S950 I956 N957 | Q949-E953 PolarHBondContact O-N 3.36Å; S950-E953 PolarHBondContact O-N 2.91Å; E953-I956 PolarHBondContact O-N 3.48Å; E953-N957 PolarHBondContact O-N 2.65Å |
| 954 | Y | 77.3 | Confident | 77.5 | Confident | 161 Ų | 161 | 104.2 Ų | 104.2 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -43.7 | 175.7 | -173.1 | -110.2 | 0 | 0 | 0 | 112.5 | S950 I951 N957 I958 | S950-Y954 WeakPolarHBondContact O-CB 3.41Å; S950-Y954 PolarHBondContact O-N 3.47Å; I951-Y954 PolarHBondContact O-N 2.89Å; Y954-N957 PolarHBondContact O-N 2.78Å; Y954-I958 HydrophobicContact CD1-CD1 3.91Å; Y954-I958 HydrophobicContact CE1-CD1 3.42Å; Y954-I958 VanDerWaalsContact CE1-CD1 3.42Å; Y954-I958 HydrophobicContact CE1-CG1 4.44Å; Y954-I958 HydrophobicContact CE2-CD1 4.49Å; Y954-I958 PolarHBondContact O-N 2.72Å |
| 955 | L | 76.5 | Confident | 78.2 | Confident | 100 Ų | 100 | 105.9 Ų | 105.9 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 175.1 | -73.9 | 170.5 | 0 | 0 | 0 | 112.4 | I951 L952 N957 Q959 | I951-L955 HydrophobicContact CG2-CD1 3.9Å; I951-L955 HydrophobicContact CG2-CG 4.4Å; I951-L955 WeakPolarHBondContact O-CB 3.23Å; I951-L955 VanDerWaalsContact O-CG 3.28Å; I951-L955 WeakPolarHBondContact O-CG 3.44Å; I951-L955 PolarHBondContact O-N 3.04Å; L952-L955 PolarHBondContact O-N 3.14Å; L955-N957 VanDerWaalsContact C-N 3.31Å; L955-Q959 VanDerWaalsContact O-CB 3.32Å; L955-Q959 WeakPolarHBondContact O-CB 3.37Å; L955-Q959 PolarHBondContact O-N 3.25Å |
| 956 | I | 80.4 | Confident | 78.7 | Confident | 76 Ų | 76 | 105.8 Ų | 105.8 | 39% | 0.39 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 173.6 | -72.9 | 165.7 | 0 | 0 | 0 | 110.5 | L952 E953 Q959 N960 | L952-I956 HydrophobicContact CG-CD1 4.04Å; L952-I956 WeakPolarHBondContact O-CB 3.22Å; L952-I956 WeakPolarHBondContact O-CD1 3.26Å; L952-I956 VanDerWaalsContact O-CG1 3.24Å; L952-I956 WeakPolarHBondContact O-CG1 3.42Å; L952-I956 PolarHBondContact O-N 3.22Å; E953-I956 PolarHBondContact O-N 3.48Å; I956-Q959 PolarHBondContact O-N 2.96Å; I956-N960 WeakPolarHBondContact O-CB 3.33Å; I956-N960 VanDerWaalsContact O-CG 3.24Å; I956-N960 PolarHBondContact O-N 3.27Å; I956-N960 PolarHBondContact O-ND2 3.1Å; I956-N960 VanDerWaalsContact O-ND2 3.16Å |
| 957 | N | 83.2 | Confident | 79 | Confident | 102 Ų | 102 | 104.6 Ų | 104.6 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.4 | -45.5 | 178.3 | -133.2 | 31.6 | 0 | 0 | 0 | 111.8 | E953 Y954 L955 Q959 N960 E961 | E953-N957 PolarHBondContact O-N 2.65Å; Y954-N957 PolarHBondContact O-N 2.78Å; L955-N957 VanDerWaalsContact C-N 3.31Å; N957-Q959 VanDerWaalsContact C-N 3.31Å; N957-Q959 PolarHBondContact O-N 3.01Å; N957-N960 PolarHBondContact O-N 2.98Å; N957-N960 VanDerWaalsContact O-N 3.11Å; N957-E961 PolarHBondContact O-N 3Å |
| 958 | I | 79.1 | Confident | 79.4 | Confident | 76 Ų | 76 | 107.3 Ų | 107.3 | 39% | 0.39 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.3 | -42 | 172.1 | -71.7 | 175 | 0 | 0 | 0 | 111.2 | Y954 N960 E961 F962 | Y954-I958 HydrophobicContact CD1-CD1 3.91Å; Y954-I958 HydrophobicContact CE1-CD1 3.42Å; Y954-I958 VanDerWaalsContact CE1-CD1 3.42Å; Y954-I958 HydrophobicContact CE1-CG1 4.44Å; Y954-I958 HydrophobicContact CE2-CD1 4.49Å; Y954-I958 PolarHBondContact O-N 2.72Å; I958-N960 VanDerWaalsContact C-N 3.27Å; I958-N960 PolarHBondContact O-N 3.26Å; I958-E961 PolarHBondContact O-N 2.89Å; I958-F962 VanDerWaalsContact O-CB 3.3Å; I958-F962 WeakPolarHBondContact O-CB 3.36Å; I958-F962 PolarHBondContact O-N 2.66Å |
| 959 | Q | 78 | Confident | 79.9 | Confident | 133 Ų | 133 | 107 Ų | 107 | 62% | 0.621 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.6 | -35.8 | 176.5 | -173.2 | 179.3 | 9.5 | 0 | 0 | 111.8 | L955 I956 N957 K963 | L955-Q959 VanDerWaalsContact O-CB 3.32Å; L955-Q959 WeakPolarHBondContact O-CB 3.37Å; L955-Q959 PolarHBondContact O-N 3.25Å; I956-Q959 PolarHBondContact O-N 2.96Å; N957-Q959 VanDerWaalsContact C-N 3.31Å; N957-Q959 PolarHBondContact O-N 3.01Å; Q959-K963 WeakPolarHBondContact O-CB 3.21Å; Q959-K963 PolarHBondContact O-N 3.42Å; Q959-K963 VanDerWaalsContact O-N 3.09Å |
| 960 | N | 81.6 | Confident | 80.2 | Confident | 87 Ų | 87 | 105.2 Ų | 105.2 | 47% | 0.465 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.6 | -44.7 | 176.5 | -72.5 | -32.9 | 0 | 0 | 0 | 112.3 | I956 N957 I958 K963 L964 | I956-N960 WeakPolarHBondContact O-CB 3.33Å; I956-N960 VanDerWaalsContact O-CG 3.24Å; I956-N960 PolarHBondContact O-N 3.27Å; I956-N960 PolarHBondContact O-ND2 3.1Å; I956-N960 VanDerWaalsContact O-ND2 3.16Å; N957-N960 PolarHBondContact O-N 2.98Å; N957-N960 VanDerWaalsContact O-N 3.11Å; I958-N960 VanDerWaalsContact C-N 3.27Å; I958-N960 PolarHBondContact O-N 3.26Å; N960-K963 PolarHBondContact O-N 3.44Å; N960-L964 WeakPolarHBondContact O-CB 3.41Å; N960-L964 PolarHBondContact O-N 3.01Å |
| 961 | E | 81.3 | Confident | 80.6 | Confident | 129 Ų | 129 | 107 Ų | 107 | 60% | 0.603 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.9 | -50.2 | 174.2 | -75 | -169.9 | 139.7 | 0 | 0 | 111.3 | N957 I958 K963 L964 E965 | N957-E961 PolarHBondContact O-N 3Å; I958-E961 PolarHBondContact O-N 2.89Å; E961-K963 VanDerWaalsContact C-N 3.26Å; E961-K963 PolarHBondContact O-N 2.78Å; E961-L964 WeakPolarHBondContact O-CA 3.23Å; E961-L964 WeakPolarHBondContact O-CB 3.4Å; E961-L964 PolarHBondContact O-N 2.82Å; E961-E965 PolarHBondContact O-N 3.29Å |
| 962 | F | 76.8 | Confident | 81 | Confident | 143 Ų | 143 | 111 Ų | 111 | 63% | 0.627 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.1 | -37 | 178.6 | -172 | -92.9 | 0 | 0 | 0 | 112.1 | I958 L964 M966 | I958-F962 VanDerWaalsContact O-CB 3.3Å; I958-F962 WeakPolarHBondContact O-CB 3.36Å; I958-F962 PolarHBondContact O-N 2.66Å; F962-L964 VanDerWaalsContact C-N 3.33Å; F962-M966 HydrophobicContact CE1-SD 4.23Å; F962-M966 WeakPolarHBondContact O-CB 3.14Å; F962-M966 PolarHBondContact O-N 2.84Å |
| 963 | K | 81.9 | Confident | 81.3 | Confident | 127 Ų | 127 | 109.8 Ų | 109.8 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69 | -30.3 | 175 | -170.9 | 178.7 | -174.9 | -177 | 0 | 112.5 | Q959 N960 E961 N967 | Q959-K963 WeakPolarHBondContact O-CB 3.21Å; Q959-K963 PolarHBondContact O-N 3.42Å; Q959-K963 VanDerWaalsContact O-N 3.09Å; N960-K963 PolarHBondContact O-N 3.44Å; E961-K963 VanDerWaalsContact C-N 3.26Å; E961-K963 PolarHBondContact O-N 2.78Å; K963-N967 WeakPolarHBondContact O-CB 3.1Å; K963-N967 PolarHBondContact O-N 2.79Å; K963-N967 PolarHBondContact O-ND2 3.43Å |
| 964 | L | 83.7 | Confident | 81.5 | Confident | 119 Ų | 119 | 108 Ų | 108 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -75.9 | -46.3 | 177.3 | -152.5 | 159.6 | 0 | 0 | 0 | 110.6 | N960 E961 F962 N967 H968 | N960-L964 WeakPolarHBondContact O-CB 3.41Å; N960-L964 PolarHBondContact O-N 3.01Å; E961-L964 WeakPolarHBondContact O-CA 3.23Å; E961-L964 WeakPolarHBondContact O-CB 3.4Å; E961-L964 PolarHBondContact O-N 2.82Å; F962-L964 VanDerWaalsContact C-N 3.33Å; L964-N967 PolarHBondContact O-N 2.99Å; L964-H968 PolarHBondContact O-N 3.01Å |
| 965 | E | 81.1 | Confident | 81.8 | Confident | 140 Ų | 140 | 105.5 Ų | 105.5 | 65% | 0.654 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -52.7 | -51.7 | 167.5 | -84.3 | -71.7 | 130.3 | 0 | 0 | 111.7 | E961 N967 H968 L969 | E961-E965 PolarHBondContact O-N 3.29Å; E965-N967 PolarHBondContact O-N 3.09Å; E965-H968 CarbonylContact O-C 3.52Å; E965-H968 WeakPolarHBondContact O-CA 3.28Å; E965-H968 WeakPolarHBondContact O-CB 3.5Å; E965-H968 PolarHBondContact O-N 2.9Å; E965-L969 PolarHBondContact O-N 2.89Å |
| 966 | M | 80.1 | Confident | 82.2 | Confident | 87 Ų | 87 | 105.1 Ų | 105.1 | 43% | 0.429 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -34.4 | -177 | -159.7 | -170.1 | 86.5 | 0 | 0 | 112.5 | F962 H968 L969 I970 | F962-M966 HydrophobicContact CE1-SD 4.23Å; F962-M966 WeakPolarHBondContact O-CB 3.14Å; F962-M966 PolarHBondContact O-N 2.84Å; M966-H968 VanDerWaalsContact C-N 3.33Å; M966-L969 PolarHBondContact O-N 3.33Å; M966-I970 HydrophobicContact CE-CD1 3.93Å; M966-I970 WeakPolarHBondContact O-CG1 3.07Å; M966-I970 PolarHBondContact O-N 2.83Å |
| 967 | N | 84.6 | Confident | 82.3 | Confident | 83 Ų | 83 | 105.1 Ų | 105.1 | 44% | 0.444 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 168.8 | -76.8 | -22 | 0 | 0 | 0 | 111.5 | K963 L964 E965 L969 I970 N971 | K963-N967 WeakPolarHBondContact O-CB 3.1Å; K963-N967 PolarHBondContact O-N 2.79Å; K963-N967 PolarHBondContact O-ND2 3.43Å; L964-N967 PolarHBondContact O-N 2.99Å; E965-N967 PolarHBondContact O-N 3.09Å; N967-L969 VanDerWaalsContact C-N 3.31Å; N967-I970 PolarHBondContact O-N 2.85Å; N967-N971 WeakPolarHBondContact O-CB 3.2Å; N967-N971 VanDerWaalsContact O-CG 3.28Å; N967-N971 PolarHBondContact O-N 3.48Å; N967-N971 PolarHBondContact O-ND2 3.41Å |
| 968 | H | 83.2 | Confident | 82.3 | Confident | 114 Ų | 114 | 104.8 Ų | 104.8 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.4 | -32.6 | 177.6 | -152.9 | -30 | 0 | 0 | 0 | 112.1 | L964 E965 M966 R972 | L964-H968 PolarHBondContact O-N 3.01Å; E965-H968 CarbonylContact O-C 3.52Å; E965-H968 WeakPolarHBondContact O-CA 3.28Å; E965-H968 WeakPolarHBondContact O-CB 3.5Å; E965-H968 PolarHBondContact O-N 2.9Å; M966-H968 VanDerWaalsContact C-N 3.33Å; H968-R972 WeakPolarHBondContact O-CG 3.38Å; H968-R972 PolarHBondContact O-N 2.9Å |
| 969 | L | 82.2 | Confident | 82.5 | Confident | 94 Ų | 94 | 106.4 Ų | 106.4 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.1 | -46.6 | 172 | -172.6 | 68.2 | 0 | 0 | 0 | 111.7 | E965 M966 N967 N971 R972 I973 | E965-L969 PolarHBondContact O-N 2.89Å; M966-L969 PolarHBondContact O-N 3.33Å; N967-L969 VanDerWaalsContact C-N 3.31Å; L969-N971 VanDerWaalsContact C-N 3.32Å; L969-N971 PolarHBondContact O-N 3Å; L969-R972 WeakPolarHBondContact O-CA 3.29Å; L969-R972 WeakPolarHBondContact O-CB 3.29Å; L969-R972 PolarHBondContact O-N 2.92Å; L969-I973 HydrophobicContact CG-CD1 4.09Å; L969-I973 WeakPolarHBondContact O-CG1 3.2Å; L969-I973 PolarHBondContact O-N 3.34Å |
| 970 | I | 84.2 | Confident | 82.7 | Confident | 65 Ų | 65 | 104 Ų | 104 | 33% | 0.333 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.1 | -45.8 | 174.5 | -74.1 | 166.2 | 0 | 0 | 0 | 110.7 | M966 N967 R972 I973 N974 | M966-I970 HydrophobicContact CE-CD1 3.93Å; M966-I970 WeakPolarHBondContact O-CG1 3.07Å; M966-I970 PolarHBondContact O-N 2.83Å; N967-I970 PolarHBondContact O-N 2.85Å; I970-R972 PolarHBondContact O-N 3.05Å; I970-I973 PolarHBondContact O-N 3.43Å; I970-I973 VanDerWaalsContact O-N 3.14Å; I970-N974 WeakPolarHBondContact O-CB 3.25Å; I970-N974 PolarHBondContact O-N 3.04Å; I970-N974 PolarHBondContact O-OD1 3.15Å |
| 971 | N | 84.9 | Confident | 82.6 | Confident | 106 Ų | 106 | 104.2 Ų | 104.2 | 57% | 0.567 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -30.4 | 177.1 | -71.8 | -17.6 | 0 | 0 | 0 | 112.8 | N967 L969 H975 | N967-N971 WeakPolarHBondContact O-CB 3.2Å; N967-N971 VanDerWaalsContact O-CG 3.28Å; N967-N971 PolarHBondContact O-N 3.48Å; N967-N971 PolarHBondContact O-ND2 3.41Å; L969-N971 VanDerWaalsContact C-N 3.32Å; L969-N971 PolarHBondContact O-N 3Å; N971-H975 WeakPolarHBondContact O-CB 3.32Å; N971-H975 PolarHBondContact O-N 2.67Å |
| 972 | R | 83.6 | Confident | 82.5 | Confident | 164 Ų | 164 | 103.4 Ų | 103.4 | 62% | 0.619 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -75.1 | -38.3 | 173 | -73.9 | 176.3 | 65.6 | -177.4 | -0.3 | 112.6 | H968 L969 I970 H975 I976 | H968-R972 WeakPolarHBondContact O-CG 3.38Å; H968-R972 PolarHBondContact O-N 2.9Å; L969-R972 WeakPolarHBondContact O-CA 3.29Å; L969-R972 WeakPolarHBondContact O-CB 3.29Å; L969-R972 PolarHBondContact O-N 2.92Å; I970-R972 PolarHBondContact O-N 3.05Å; R972-H975 PolarHBondContact O-N 3.28Å; R972-I976 WeakPolarHBondContact O-CD1 3.37Å; R972-I976 VanDerWaalsContact O-CG1 3.3Å; R972-I976 WeakPolarHBondContact O-CG1 3.28Å; R972-I976 PolarHBondContact O-N 2.99Å; R972-I976 VanDerWaalsContact O-N 3.08Å |
| 973 | I | 83.9 | Confident | 82.6 | Confident | 79 Ų | 79 | 102 Ų | 102 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.9 | -51.5 | 176.1 | -67.8 | 166.1 | 0 | 0 | 0 | 109.8 | L969 I970 H975 I976 D977 | L969-I973 HydrophobicContact CG-CD1 4.09Å; L969-I973 WeakPolarHBondContact O-CG1 3.2Å; L969-I973 PolarHBondContact O-N 3.34Å; I970-I973 PolarHBondContact O-N 3.43Å; I970-I973 VanDerWaalsContact O-N 3.14Å; I973-H975 PolarHBondContact O-N 3.08Å; I973-I976 CarbonylContact O-C 3.59Å; I973-I976 WeakPolarHBondContact O-CA 3.48Å; I973-I976 WeakPolarHBondContact O-CB 3.46Å; I973-I976 PolarHBondContact O-N 3.48Å; I973-D977 PolarHBondContact O-N 3.42Å |
| 974 | N | 83.2 | Confident | 82.5 | Confident | 83 Ų | 83 | 99.6 Ų | 99.6 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.8 | -37.2 | 177.4 | -63.3 | -4.9 | 0 | 0 | 0 | 112.1 | I970 D977 D978 | I970-N974 WeakPolarHBondContact O-CB 3.25Å; I970-N974 PolarHBondContact O-N 3.04Å; I970-N974 PolarHBondContact O-OD1 3.15Å; N974-D977 PolarHBondContact O-N 2.74Å; N974-D978 PolarHBondContact O-N 2.88Å |
| 975 | H | 84.2 | Confident | 82.2 | Confident | 109 Ų | 109 | 97.8 Ų | 97.8 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.1 | -31.5 | 175.5 | -171.6 | 58.5 | 0 | 0 | 0 | 113.1 | N971 R972 I973 Q979 | N971-H975 WeakPolarHBondContact O-CB 3.32Å; N971-H975 PolarHBondContact O-N 2.67Å; R972-H975 PolarHBondContact O-N 3.28Å; I973-H975 PolarHBondContact O-N 3.08Å; H975-Q979 WeakPolarHBondContact O-CG 3.35Å; H975-Q979 PolarHBondContact O-N 3.32Å; H975-Q979 VanDerWaalsContact O-N 3.1Å |
| 976 | I | 85.9 | Confident | 82 | Confident | 92 Ų | 92 | 95.8 Ų | 95.8 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71.8 | -40.1 | 172.8 | -70.2 | 163.6 | 0 | 0 | 0 | 110.4 | R972 I973 Q979 I980 | R972-I976 WeakPolarHBondContact O-CD1 3.37Å; R972-I976 VanDerWaalsContact O-CG1 3.3Å; R972-I976 WeakPolarHBondContact O-CG1 3.28Å; R972-I976 PolarHBondContact O-N 2.99Å; R972-I976 VanDerWaalsContact O-N 3.08Å; I973-I976 CarbonylContact O-C 3.59Å; I973-I976 WeakPolarHBondContact O-CA 3.48Å; I973-I976 WeakPolarHBondContact O-CB 3.46Å; I973-I976 PolarHBondContact O-N 3.48Å; I976-Q979 WeakPolarHBondContact O-CB 3.15Å; I976-Q979 PolarHBondContact O-N 3.35Å; I976-I980 HydrophobicContact CG2-CD1 3.77Å; I976-I980 HydrophobicContact CG2-CG1 4.41Å; I976-I980 VanDerWaalsContact O-CG1 3.3Å; I976-I980 WeakPolarHBondContact O-CG1 3.39Å; I976-I980 PolarHBondContact O-N 2.99Å |
| 977 | D | 80.7 | Confident | 81.7 | Confident | 76 Ų | 76 | 96.5 Ų | 96.5 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 174.7 | -70.5 | -20.4 | 0 | 0 | 0 | 111.4 | I973 N974 Q979 I980 N981 | I973-D977 PolarHBondContact O-N 3.42Å; N974-D977 PolarHBondContact O-N 2.74Å; D977-Q979 VanDerWaalsContact C-N 3.34Å; D977-Q979 PolarHBondContact O-N 3.41Å; D977-I980 PolarHBondContact O-N 3.14Å; D977-N981 WeakPolarHBondContact O-CB 3.45Å; D977-N981 VanDerWaalsContact O-CG 3.31Å; D977-N981 PolarHBondContact O-N 3.3Å; D977-N981 PolarHBondContact O-ND2 2.66Å |
| 978 | D | 83.7 | Confident | 81 | Confident | 95 Ų | 95 | 98 Ų | 98 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 171.9 | -89.4 | -13 | 0 | 0 | 0 | 112.2 | N974 Q982 | N974-D978 PolarHBondContact O-N 2.88Å; D978-Q982 WeakPolarHBondContact O-CB 3.45Å; D978-Q982 VanDerWaalsContact O-CG 3.28Å; D978-Q982 WeakPolarHBondContact O-CG 3.45Å; D978-Q982 PolarHBondContact O-N 3.22Å |
| 979 | Q | 83.4 | Confident | 80.2 | Confident | 109 Ų | 109 | 99.3 Ų | 99.3 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 175.2 | -69.2 | -93.8 | -16.4 | 0 | 0 | 111.5 | H975 I976 D977 Q982 L983 | H975-Q979 WeakPolarHBondContact O-CG 3.35Å; H975-Q979 PolarHBondContact O-N 3.32Å; H975-Q979 VanDerWaalsContact O-N 3.1Å; I976-Q979 WeakPolarHBondContact O-CB 3.15Å; I976-Q979 PolarHBondContact O-N 3.35Å; D977-Q979 VanDerWaalsContact C-N 3.34Å; D977-Q979 PolarHBondContact O-N 3.41Å; Q979-Q982 PolarHBondContact O-N 2.8Å; Q979-L983 WeakPolarHBondContact O-CB 3.44Å; Q979-L983 PolarHBondContact O-N 3.43Å |
| 980 | I | 82.7 | Confident | 79.3 | Confident | 83 Ų | 83 | 99.7 Ų | 99.7 | 43% | 0.426 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 177.6 | -71.2 | 167.6 | 0 | 0 | 0 | 110.7 | I976 D977 Q982 L983 I984 | I976-I980 HydrophobicContact CG2-CD1 3.77Å; I976-I980 HydrophobicContact CG2-CG1 4.41Å; I976-I980 VanDerWaalsContact O-CG1 3.3Å; I976-I980 WeakPolarHBondContact O-CG1 3.39Å; I976-I980 PolarHBondContact O-N 2.99Å; D977-I980 PolarHBondContact O-N 3.14Å; I980-Q982 VanDerWaalsContact C-N 3.33Å; I980-Q982 PolarHBondContact O-N 3.23Å; I980-L983 WeakPolarHBondContact O-CB 3.45Å; I980-L983 PolarHBondContact O-N 3Å; I980-L983 VanDerWaalsContact O-N 3.11Å; I980-I984 HydrophobicContact CG2-CD1 3.75Å; I980-I984 HydrophobicContact CG2-CG1 4.38Å; I980-I984 WeakPolarHBondContact O-CG1 3.15Å; I980-I984 PolarHBondContact O-N 2.98Å |
| 981 | N | 79.9 | Confident | 77.9 | Confident | 91 Ų | 91 | 103.8 Ų | 103.8 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -36.2 | 176.9 | -74.1 | -50.8 | 0 | 0 | 0 | 112.2 | D977 T985 | D977-N981 WeakPolarHBondContact O-CB 3.45Å; D977-N981 VanDerWaalsContact O-CG 3.31Å; D977-N981 PolarHBondContact O-N 3.3Å; D977-N981 PolarHBondContact O-ND2 2.66Å; N981-T985 WeakPolarHBondContact O-CG2 3.31Å; N981-T985 PolarHBondContact O-N 3.05Å; N981-T985 PolarHBondContact O-OG1 3.18Å |
| 982 | Q | 79.2 | Confident | 76.2 | Confident | 112 Ų | 112 | 105 Ų | 105 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 170.8 | -74.1 | 173.1 | 40.2 | 0 | 0 | 111.8 | D978 Q979 I980 T985 N986 | D978-Q982 WeakPolarHBondContact O-CB 3.45Å; D978-Q982 VanDerWaalsContact O-CG 3.28Å; D978-Q982 WeakPolarHBondContact O-CG 3.45Å; D978-Q982 PolarHBondContact O-N 3.22Å; Q979-Q982 PolarHBondContact O-N 2.8Å; I980-Q982 VanDerWaalsContact C-N 3.33Å; I980-Q982 PolarHBondContact O-N 3.23Å; Q982-T985 WeakPolarHBondContact CA-OG1 3.46Å; Q982-T985 PolarHBondContact O-OG1 3.46Å; Q982-N986 VanDerWaalsContact O-CB 3.29Å; Q982-N986 WeakPolarHBondContact O-CB 3.48Å; Q982-N986 PolarHBondContact O-N 3.29Å; Q982-N986 PolarHBondContact O-ND2 2.86Å |
| 983 | L | 78.8 | Confident | 74.5 | Confident | 113 Ų | 113 | 102.5 Ų | 102.5 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66 | -44.3 | 175.2 | -154.6 | 87.4 | 0 | 0 | 0 | 111.5 | Q979 I980 N986 I987 | Q979-L983 WeakPolarHBondContact O-CB 3.44Å; Q979-L983 PolarHBondContact O-N 3.43Å; I980-L983 WeakPolarHBondContact O-CB 3.45Å; I980-L983 PolarHBondContact O-N 3Å; I980-L983 VanDerWaalsContact O-N 3.11Å; L983-N986 PolarHBondContact O-N 3.44Å; L983-I987 HydrophobicContact CD2-CD1 4.23Å; L983-I987 HydrophobicContact CG-CD1 4.21Å; L983-I987 WeakPolarHBondContact O-CB 3.48Å; L983-I987 WeakPolarHBondContact O-CD1 3.43Å; L983-I987 VanDerWaalsContact O-CG1 3.23Å; L983-I987 WeakPolarHBondContact O-CG1 3.47Å; L983-I987 PolarHBondContact O-N 3.45Å |
| 984 | I | 79.3 | Confident | 72.7 | Confident | 78 Ų | 78 | 103.4 Ų | 103.4 | 40% | 0.4 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -49.8 | 178.4 | -69.3 | 166.9 | 0 | 0 | 0 | 110.6 | I980 N986 I987 E988 | I980-I984 HydrophobicContact CG2-CD1 3.75Å; I980-I984 HydrophobicContact CG2-CG1 4.38Å; I980-I984 WeakPolarHBondContact O-CG1 3.15Å; I980-I984 PolarHBondContact O-N 2.98Å; I984-N986 VanDerWaalsContact C-N 3.34Å; I984-N986 PolarHBondContact O-N 3.21Å; I984-I987 CarbonylContact O-C 3.34Å; I984-I987 WeakPolarHBondContact O-CA 3.31Å; I984-I987 WeakPolarHBondContact O-CB 3.43Å; I984-I987 PolarHBondContact O-N 3.31Å; I984-E988 HydrophobicContact CG2-CG 4.5Å; I984-E988 PolarHBondContact O-N 2.81Å |
| 985 | T | 77.8 | Confident | 70.7 | Confident | 81 Ų | 81 | 103.4 Ų | 103.4 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -35.8 | 179.9 | 47 | 0 | 0 | 0 | 0 | 112.6 | N981 Q982 E988 Y989 | N981-T985 WeakPolarHBondContact O-CG2 3.31Å; N981-T985 PolarHBondContact O-N 3.05Å; N981-T985 PolarHBondContact O-OG1 3.18Å; Q982-T985 WeakPolarHBondContact CA-OG1 3.46Å; Q982-T985 PolarHBondContact O-OG1 3.46Å; T985-E988 PolarHBondContact O-N 3.29Å; T985-Y989 WeakPolarHBondContact O-CB 3.34Å; T985-Y989 PolarHBondContact O-N 2.95Å |
| 986 | N | 76.7 | Confident | 68.7 | Low | 98 Ų | 98 | 106.1 Ų | 106.1 | 52% | 0.524 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 170.2 | -76.1 | -35.5 | 0 | 0 | 0 | 112.3 | Q982 L983 I984 N990 | Q982-N986 VanDerWaalsContact O-CB 3.29Å; Q982-N986 WeakPolarHBondContact O-CB 3.48Å; Q982-N986 PolarHBondContact O-N 3.29Å; Q982-N986 PolarHBondContact O-ND2 2.86Å; L983-N986 PolarHBondContact O-N 3.44Å; I984-N986 VanDerWaalsContact C-N 3.34Å; I984-N986 PolarHBondContact O-N 3.21Å; N986-N990 WeakPolarHBondContact O-CB 3.08Å; N986-N990 PolarHBondContact O-N 2.87Å; N986-N990 PolarHBondContact O-ND2 3.41Å |
| 987 | I | 73.9 | Confident | 66.4 | Low | 101 Ų | 101 | 110.9 Ų | 110.9 | 52% | 0.518 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.5 | -42.7 | 175.2 | -72.8 | 163.3 | 0 | 0 | 0 | 110.8 | L983 I984 K991 | L983-I987 HydrophobicContact CD2-CD1 4.23Å; L983-I987 HydrophobicContact CG-CD1 4.21Å; L983-I987 WeakPolarHBondContact O-CB 3.48Å; L983-I987 WeakPolarHBondContact O-CD1 3.43Å; L983-I987 VanDerWaalsContact O-CG1 3.23Å; L983-I987 WeakPolarHBondContact O-CG1 3.47Å; L983-I987 PolarHBondContact O-N 3.45Å; I984-I987 CarbonylContact O-C 3.34Å; I984-I987 WeakPolarHBondContact O-CA 3.31Å; I984-I987 WeakPolarHBondContact O-CB 3.43Å; I984-I987 PolarHBondContact O-N 3.31Å; I987-K991 WeakPolarHBondContact O-CB 3.33Å; I987-K991 PolarHBondContact O-N 2.99Å |
| 988 | E | 69.4 | Low | 64.1 | Low | 116 Ų | 116 | 110.4 Ų | 110.4 | 54% | 0.542 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.8 | -41.5 | 177.3 | -70.7 | -173 | 132.8 | 0 | 0 | 112.4 | I984 T985 K991 Q992 | I984-E988 HydrophobicContact CG2-CG 4.5Å; I984-E988 PolarHBondContact O-N 2.81Å; T985-E988 PolarHBondContact O-N 3.29Å; E988-K991 WeakPolarHBondContact O-CB 3.44Å; E988-K991 PolarHBondContact O-N 3.03Å; E988-Q992 PolarHBondContact O-N 3.02Å |
| 989 | Y | 66.5 | Low | 61.7 | Low | 141 Ų | 141 | 115 Ų | 115 | 55% | 0.553 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.3 | -49.2 | 177.2 | -164.8 | -95.2 | 0 | 0 | 0 | 111.9 | T985 K991 Q992 E993 | T985-Y989 WeakPolarHBondContact O-CB 3.34Å; T985-Y989 PolarHBondContact O-N 2.95Å; Y989-K991 PolarHBondContact O-N 3.17Å; Y989-Q992 PolarHBondContact O-N 3.25Å; Y989-E993 HydrophobicContact CD1-CG 4.38Å; Y989-E993 VanDerWaalsContact CE1-CD 3.48Å; Y989-E993 HydrophobicContact CE1-CG 4.02Å; Y989-E993 WeakPolarHBondContact CE1-OE2 3.3Å; Y989-E993 PolarHBondContact O-N 3.45Å |
| 990 | N | 62.3 | Low | 59.1 | Low | 101 Ų | 101 | 118.3 Ų | 118.3 | 54% | 0.54 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -58.9 | -32.2 | 174.8 | -81.1 | -83.6 | 0 | 0 | 0 | 112 | N986 S994 | N986-N990 WeakPolarHBondContact O-CB 3.08Å; N986-N990 PolarHBondContact O-N 2.87Å; N986-N990 PolarHBondContact O-ND2 3.41Å; N990-S994 VanDerWaalsContact O-CB 3.25Å; N990-S994 WeakPolarHBondContact O-CB 3.38Å; N990-S994 PolarHBondContact O-N 3.5Å; N990-S994 PolarHBondContact O-OG 3.01Å; N990-S994 VanDerWaalsContact O-OG 3.07Å |
| 991 | K | 56.6 | Low | 56.6 | Low | 152 Ų | 152 | 122.6 Ų | 122.6 | 66% | 0.661 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -75 | -23.6 | 176.9 | -151.4 | 176.8 | -173 | -173 | 0 | 113.1 | I987 E988 Y989 S995 | I987-K991 WeakPolarHBondContact O-CB 3.33Å; I987-K991 PolarHBondContact O-N 2.99Å; E988-K991 WeakPolarHBondContact O-CB 3.44Å; E988-K991 PolarHBondContact O-N 3.03Å; Y989-K991 PolarHBondContact O-N 3.17Å; K991-S995 PolarHBondContact O-OG 3.48Å |
| 992 | Q | 48 | Very low | 54.1 | Low | 132 Ų | 132 | 126.5 Ų | 126.5 | 62% | 0.617 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -83 | -42.6 | 173.6 | -74.2 | -174 | -9.5 | 0 | 0 | 112.1 | E988 Y989 S995 H996 | E988-Q992 PolarHBondContact O-N 3.02Å; Y989-Q992 PolarHBondContact O-N 3.25Å; Q992-S995 PolarHBondContact O-N 3.43Å; Q992-S995 PolarHBondContact O-OG 2.94Å; Q992-H996 PolarHBondContact O-N 3.12Å |
| 993 | E | 48.9 | Very low | 51.9 | Low | 110 Ų | 110 | 129.8 Ų | 129.8 | 51% | 0.514 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -61.3 | -46.8 | 171.8 | -73.6 | -174.3 | 127.6 | 0 | 0 | 111 | Y989 S995 H996 | Y989-E993 HydrophobicContact CD1-CG 4.38Å; Y989-E993 VanDerWaalsContact CE1-CD 3.48Å; Y989-E993 HydrophobicContact CE1-CG 4.02Å; Y989-E993 WeakPolarHBondContact CE1-OE2 3.3Å; Y989-E993 PolarHBondContact O-N 3.45Å; E993-S995 PolarHBondContact O-N 3.31Å; E993-H996 PolarHBondContact O-N 3Å; E993-H996 VanDerWaalsContact O-N 3.1Å |
| 994 | S | 45.7 | Very low | 49.6 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.9 | 1.1 | 178.2 | 78.4 | 0 | 0 | 0 | 0 | 115.1 | N990 | N990-S994 VanDerWaalsContact O-CB 3.25Å; N990-S994 WeakPolarHBondContact O-CB 3.38Å; N990-S994 PolarHBondContact O-N 3.5Å; N990-S994 PolarHBondContact O-OG 3.01Å; N990-S994 VanDerWaalsContact O-OG 3.07Å |
| 995 | S | 41.8 | Very low | 47.4 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 57% | 0.573 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -115.8 | 0.1 | 172.9 | 50.3 | 0 | 0 | 0 | 0 | 114.1 | K991 Q992 E993 | K991-S995 PolarHBondContact O-OG 3.48Å; Q992-S995 PolarHBondContact O-N 3.43Å; Q992-S995 PolarHBondContact O-OG 2.94Å; E993-S995 PolarHBondContact O-N 3.31Å |
| 996 | H | 41.4 | Very low | 45.4 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -103.1 | -15.7 | -177.8 | -118 | -64.6 | 0 | 0 | 0 | 116.1 | Q992 E993 | Q992-H996 PolarHBondContact O-N 3.12Å; E993-H996 PolarHBondContact O-N 3Å; E993-H996 VanDerWaalsContact O-N 3.1Å |
| 997 | E | 37 | Very low | 43.2 | Very low | 192 Ų | 192 | 141 Ų | 141 | 90% | 0.897 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -89.9 | 6.6 | 174.8 | -63.5 | -165.7 | 130.2 | 0 | 0 | 113.9 | ||
| 998 | G | 32.8 | Very low | 41.3 | Very low | 65 Ų | 65 | 141.6 Ų | 141.6 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -90.6 | 3.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 999 | H | 33.5 | Very low | 39.7 | Very low | 191 Ų | 191 | 143.4 Ų | 143.4 | 88% | 0.884 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -145.7 | 41.3 | -164.7 | -115.1 | -60.3 | 0 | 0 | 0 | 117.1 | ||
| 1000 | E | 29.5 | Very low | 38.4 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | trans | -136.6 | 161.1 | 158.1 | -128 | 168.6 | -150 | 0 | 0 | 111.4 | ||||
| 1001 | H | 30 | Very low | 37 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | trans | 56.3 | 90.8 | -173.2 | -66.2 | -87.3 | 0 | 0 | 0 | 117.9 | ||||
| 1002 | L | 28.1 | Very low | 35.8 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 90% | 0.901 | 74% | 0.741 | S | S | * | * | -156.3 | 86.7 | 112.9 | -148.4 | 78.8 | 0 | 0 | 0 | 113.1 | |||||
| 1003 | H | 32.7 | Very low | 35.2 | Very low | 182 Ų | 182 | 144 Ų | 144 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -154.5 | 50.2 | 162.2 | -123.1 | -57.6 | 0 | 0 | 0 | 115.4 | ||
| 1004 | Q | 30.8 | Very low | 34.4 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | trans | -162.5 | 112.9 | 155.3 | -109.6 | 148.1 | 24.7 | 0 | 0 | 112.6 | ||||
| 1005 | G | 33 | Very low | 33.8 | Very low | 61 Ų | 61 | 146.1 Ų | 146.1 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | trans | -85.7 | 161.8 | 132.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1006 | H | 34.7 | Very low | 33.5 | Very low | 181 Ų | 181 | 149.1 Ų | 149.1 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | cis | -135.4 | 152.6 | 3.2 | -72.5 | -81.3 | 0 | 0 | 0 | 109.2 | ||||
| 1007 | Q | 31.6 | Very low | 33.2 | Very low | 168 Ų | 168 | 148 Ų | 148 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | -178.7 | 140.7 | 109 | -96.9 | -179.5 | -80.3 | 0 | 0 | 113.5 | |||||
| 1008 | D | 33.7 | Very low | 32.9 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | trans | 66.8 | 105.6 | 138.3 | -53.5 | -12.5 | 0 | 0 | 0 | 122.9 | ||||
| 1009 | H | 35.8 | Very low | 32.9 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | 84.9 | 121.8 | 127.6 | -78.3 | -60.2 | 0 | 0 | 0 | 124.4 | |||||
| 1010 | H | 37.6 | Very low | 33 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | trans | 71.7 | 118.3 | 140.8 | -71.2 | -65.6 | 0 | 0 | 0 | 123 | ||||
| 1011 | Q | 33.4 | Very low | 33.2 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | 35.1 | 134.7 | 126 | -64.9 | 165.7 | -53 | 0 | 0 | 119.5 | |||||
| 1012 | G | 32.4 | Very low | 33.6 | Very low | 62 Ų | 62 | 146.4 Ų | 146.4 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | cis | 130.3 | 161.7 | 7.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1013 | H | 35.9 | Very low | 34 | Very low | 167 Ų | 167 | 145 Ų | 145 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | 64.6 | 156.2 | -179.9 | -69.2 | -90.3 | 0 | 0 | 0 | 116.1 | ||||
| 1014 | E | 32 | Very low | 34.2 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | cis | -165.8 | 168.3 | -36.5 | -148.7 | 159.8 | -144.6 | 0 | 0 | 108.7 | ||||
| 1015 | D | 32.7 | Very low | 34.4 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 60% | 0.599 | 72% | 0.716 | S | S | * | * | trans | 66.2 | 140.1 | 140.8 | -91.6 | -22.9 | 0 | 0 | 0 | 126.1 | ||||
| 1016 | H | 35.2 | Very low | 34.6 | Very low | 145 Ų | 145 | 144 Ų | 144 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | trans | 72.6 | 157 | 133.5 | -77.7 | 33.7 | 0 | 0 | 0 | 121 | ||||
| 1017 | H | 34.7 | Very low | 34.6 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 66% | 0.662 | 72% | 0.72 | S | S | * | * | cis | -170 | 172.7 | -36.7 | -135.4 | -11 | 0 | 0 | 0 | 109.7 | ||||
| 1018 | Q | 31.2 | Very low | 34.7 | Very low | 177 Ų | 177 | 144.3 Ų | 144.3 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | trans | 65.3 | 152.9 | 155.5 | -64.1 | 155.7 | 4 | 0 | 0 | 119.7 | ||||
| 1019 | G | 32.9 | Very low | 34.7 | Very low | 78 Ų | 78 | 144.8 Ų | 144.8 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | 161.3 | 58.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1020 | H | 35 | Very low | 34.6 | Very low | 183 Ų | 183 | 146.6 Ų | 146.6 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | trans | -46.7 | 148.9 | 174.6 | -80.1 | -98.7 | 0 | 0 | 0 | 116.5 | ||||
| 1021 | R | 34.7 | Very low | 34.3 | Very low | 216 Ų | 216 | 147.1 Ų | 147.1 | 82% | 0.815 | 74% | 0.736 | S | S | * | * | 171.4 | 142.5 | 115.6 | -94.7 | -175.5 | 171.5 | 126.1 | 2.3 | 115.1 | |||||
| 1022 | D | 36.7 | Very low | 34.4 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 60% | 0.604 | 73% | 0.73 | S | S | * | * | trans | 51 | 144.9 | 133.3 | -54.1 | -33.1 | 0 | 0 | 0 | 122.9 | ||||
| 1023 | Q | 36.6 | Very low | 34.2 | Very low | 143 Ų | 143 | 152.1 Ų | 152.1 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | cis | -165.1 | 165 | -10.9 | -116.6 | 166.6 | 49.1 | 0 | 0 | 113.5 | ||||
| 1024 | H | 37 | Very low | 33.8 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 63% | 0.63 | 73% | 0.731 | S | S | * | * | trans | 50.4 | 122.9 | 152.8 | -75 | -60.4 | 0 | 0 | 0 | 126.3 | ||||
| 1025 | Q | 36.3 | Very low | 33.7 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | 72.7 | 133.8 | 135.7 | -70.2 | 163.6 | -12.9 | 0 | 0 | 119.6 | ||||
| 1026 | S | 36.1 | Very low | 33.6 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | cis | -151.4 | 158.3 | 0.7 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1027 | H | 36 | Very low | 33.3 | Very low | 173 Ų | 173 | 148 Ų | 148 | 80% | 0.801 | 74% | 0.741 | S | S | * | * | trans | -24.4 | 149.6 | 174 | -56.7 | -76.4 | 0 | 0 | 0 | 117.8 | ||||
| 1028 | Q | 33.9 | Very low | 33.1 | Very low | 182 Ų | 182 | 146.9 Ų | 146.9 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | cis | -151.6 | 167.2 | 41.2 | -155.7 | 164.7 | 14.5 | 0 | 0 | 114.4 | ||||
| 1029 | D | 32.2 | Very low | 33.2 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 67% | 0.674 | 74% | 0.742 | S | S | * | * | trans | -62.6 | 157.1 | -174.1 | -47.4 | -94.3 | 0 | 0 | 0 | 113.7 | ||||
| 1030 | Q | 33.9 | Very low | 33.2 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 89% | 0.888 | 73% | 0.732 | S | S | * | * | cis | -138.2 | 165.7 | 32.4 | -67.9 | 179.2 | -27.1 | 0 | 0 | 115.8 | ||||
| 1031 | H | 31.8 | Very low | 32.9 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | trans | -53.5 | 159.5 | 162.8 | -73.4 | -127.4 | 0 | 0 | 0 | 113.4 | ||||
| 1032 | H | 35.9 | Very low | 32.8 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 66% | 0.662 | 73% | 0.728 | S | S | * | * | cis | -130.1 | 140.5 | -0.1 | -102.9 | -82.9 | 0 | 0 | 0 | 107.9 | ||||
| 1033 | R | 27.5 | Very low | 32.6 | Very low | 196 Ų | 196 | 143.8 Ų | 143.8 | 74% | 0.74 | 74% | 0.735 | S | S | * | * | 40.6 | 136.1 | 94.1 | -61.8 | -171.6 | 178.8 | -125.5 | 15.2 | 116.3 | |||||
| 1034 | Q | 27.3 | Very low | 32.2 | Very low | 149 Ų | 149 | 144 Ų | 144 | 70% | 0.696 | 74% | 0.736 | S | S | * | * | cis | -158.4 | 168.7 | -9.7 | -115 | 175.6 | -70.4 | 0 | 0 | 109.5 | ||||
| 1035 | P | 29.1 | Very low | 31.9 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | trans | -82.7 | -168.8 | 178.8 | 41.8 | -37.8 | 0 | 0 | 0 | 110.4 | ||||
| 1036 | P | 31.5 | Very low | 31.7 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | cis | -147.8 | -177.3 | 21.5 | 43.9 | -21.7 | 0 | 0 | 0 | 119.4 | ||||
| 1037 | P | 28.2 | Very low | 31.4 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | -103.9 | -161.6 | 163.7 | 43.4 | -34.3 | 0 | 0 | 0 | 110.7 | ||||
| 1038 | P | 30.9 | Very low | 31 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | -117.9 | -106.9 | -50.1 | 27.7 | -4.5 | 0 | 0 | 0 | 112.7 | |||||
| 1039 | P | 34.1 | Very low | 30.8 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | trans | -115.6 | -144.9 | -158.6 | 44.5 | -22.8 | 0 | 0 | 0 | 110.8 | ||||
| 1040 | P | 31.8 | Very low | 30.8 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 61% | 0.61 | 74% | 0.738 | S | S | * | * | cis | -136 | -162.6 | -18.8 | 42.3 | -23.5 | 0 | 0 | 0 | 114.1 | ||||
| 1041 | Q | 28.8 | Very low | 30.8 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | trans | 62.8 | 115.7 | 150.2 | -70.5 | 167 | 19.5 | 0 | 0 | 120.9 | ||||
| 1042 | Q | 32.3 | Very low | 30.9 | Very low | 179 Ų | 179 | 131 Ų | 131 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | -170.4 | 118.6 | 104.4 | -99.1 | 166.7 | 68.7 | 0 | 0 | 109.6 | |||||
| 1043 | H | 33.5 | Very low | 30.6 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | 73.6 | 114.2 | 93.3 | -88.3 | 24.5 | 0 | 0 | 0 | 116 | |||||
| 1044 | Q | 28.7 | Very low | 30.8 | Very low | 148 Ų | 148 | 127.1 Ų | 127.1 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | 26.2 | 134 | 126.6 | -65.2 | -172.8 | 23.2 | 0 | 0 | 117.6 | |||||
| 1045 | K | 29.6 | Very low | 31 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 67% | 0.665 | 76% | 0.758 | S | S | * | * | cis | -177.4 | 166.2 | 46.6 | -136 | 160.7 | 179.7 | 170.7 | 0 | 113.5 | ||||
| 1046 | H | 31.8 | Very low | 31 | Very low | 166 Ų | 166 | 133 Ų | 133 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 63.2 | 104 | 155.9 | -63.9 | -59.3 | 0 | 0 | 0 | 121.5 | ||||
| 1047 | G | 29.7 | Very low | 31 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | 104.6 | 151.2 | 104.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1048 | G | 29.6 | Very low | 30.9 | Very low | 76 Ų | 76 | 139.7 Ų | 139.7 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | 127.8 | 36.6 | 145 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1049 | S | 29.2 | Very low | 31 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 66.6 | 149.5 | 147.4 | -160.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1050 | S | 31.9 | Very low | 30.8 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | trans | 82.6 | 113.7 | 151.9 | -74 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1051 | N | 34.5 | Very low | 30.7 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 83.1 | 106.9 | 130 | -60.7 | -8.5 | 0 | 0 | 0 | 121.4 | ||||
| 1052 | N | 33.1 | Very low | 30.8 | Very low | 139 Ų | 139 | 142.4 Ų | 142.4 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | 92.4 | 138.6 | 131.3 | -63.9 | -17.1 | 0 | 0 | 0 | 121.2 | ||||
| 1053 | I | 29.7 | Very low | 30.4 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | trans | 71.4 | 96.8 | 158.3 | -64.3 | 158.6 | 0 | 0 | 0 | 116 | ||||
| 1054 | G | 31.5 | Very low | 30.3 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -174.2 | 103.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1055 | K | 32 | Very low | 30.3 | Very low | 205 Ų | 205 | 135.3 Ų | 135.3 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -69.5 | 159.2 | 174.1 | -78.9 | 176.6 | 179.5 | 179.1 | 0 | 111.6 | ||||
| 1056 | F | 29.7 | Very low | 30.4 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | cis | -166.6 | 154.2 | -23.8 | -154.7 | -107.7 | 0 | 0 | 0 | 108.1 | ||||
| 1057 | M | 30.6 | Very low | 30.2 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | 59.3 | 141.1 | 168.5 | -88.1 | 170.9 | 171.2 | 0 | 0 | 122 | ||||
| 1058 | K | 26.8 | Very low | 30.4 | Very low | 192 Ų | 192 | 133.8 Ų | 133.8 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -127.5 | 177.9 | 171 | -92.6 | -178.5 | 173.3 | 177.7 | 0 | 108.1 | ||||
| 1059 | T | 31.4 | Very low | 30.5 | Very low | 123 Ų | 123 | 135 Ų | 135 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 77.1 | 141.4 | 179.9 | 73.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1060 | V | 30.2 | Very low | 30.5 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | cis | -116.5 | 156.5 | 24.5 | 172.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1061 | F | 30 | Very low | 30.3 | Very low | 178 Ų | 178 | 135.3 Ų | 135.3 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | -97.3 | 168.1 | -179.2 | -87.5 | -119.5 | 0 | 0 | 0 | 111.8 | ||||
| 1062 | P | 30.3 | Very low | 30 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | cis | -140.8 | 160.2 | -31.6 | 36.7 | -19.8 | 0 | 0 | 0 | 115.1 | ||||
| 1063 | S | 25.2 | Very low | 29.8 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -73 | 137.5 | 150.9 | 53.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1064 | S | 31 | Very low | 29.7 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -139.5 | 76.3 | 172.9 | 70 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1065 | S | 27.8 | Very low | 29.7 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -85.7 | 110 | 163.5 | 44.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1066 | T | 32.5 | Very low | 29.4 | Very low | 136 Ų | 136 | 131 Ų | 131 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -164.4 | 140.1 | 157.9 | 6.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1067 | S | 27.9 | Very low | 29.7 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -65.6 | 167.2 | 164.8 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1068 | P | 33.9 | Very low | 29.5 | Very low | 128 Ų | 128 | 128 Ų | 128 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | -132.4 | 152.7 | 112.3 | 37.1 | -31.1 | 0 | 0 | 0 | 114.7 | |||||
| 1069 | S | 31.9 | Very low | 29.4 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | -74.6 | 154.9 | 174.9 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1070 | S | 28.4 | Very low | 29 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -16.6 | 139.7 | 159.5 | 53.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1071 | S | 28.8 | Very low | 28.8 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | 74 | 161.1 | 150.4 | 88.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1072 | S | 28.3 | Very low | 28.6 | Very low | 94 Ų | 94 | 125.3 Ų | 125.3 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | cis | -152.3 | 155.2 | 1.2 | 93 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1073 | V | 28.7 | Very low | 28.3 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 66% | 0.655 | 76% | 0.756 | S | S | * | * | trans | 50.2 | 117.1 | 139.1 | -179.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 1074 | R | 26.3 | Very low | 28.2 | Very low | 233 Ų | 233 | 125.6 Ų | 125.6 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | trans | 66.5 | 164.4 | 156.7 | -69.3 | 170.9 | 177.1 | 167.9 | -3.2 | 115.8 | ||||
| 1075 | S | 31.2 | Very low | 27.8 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | cis | -125.6 | 141.7 | 0.9 | -48.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1076 | S | 26.8 | Very low | 27.6 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | -8.2 | 144.5 | 155.6 | 47.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1077 | P | 36.3 | Very low | 27.2 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | -74.1 | 161.9 | -179.9 | 35.4 | -38.3 | 0 | 0 | 0 | 112.7 | ||||
| 1078 | L | 25 | Very low | 27 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | -157.9 | 143.5 | 161.2 | -111.9 | 162.5 | 0 | 0 | 0 | 111.7 | ||||
| 1079 | R | 25.1 | Very low | 26.6 | Very low | 215 Ų | 215 | 131.3 Ų | 131.3 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | 63.4 | 124.8 | 171.8 | -60.4 | -171.5 | 163.7 | 169.5 | -5.9 | 116.8 | ||||
| 1080 | S | 24.1 | Very low | 26.3 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | cis | 83.1 | 159.6 | 30.3 | 86.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1081 | S | 25.1 | Very low | 26.3 | Very low | 71 Ų | 71 | 143.4 Ų | 143.4 | 50% | 0.497 | 77% | 0.766 | S | S | . | * | trans | 61.7 | 79.5 | 151.1 | 57.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 1082 | E | 26.7 | Very low | 26.3 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | -145.3 | 99.6 | 123.8 | -102 | 168.8 | -153.7 | 0 | 0 | 105.5 | |||||
| 1083 | L | 23.4 | Very low | 26.4 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | cis | 79.7 | 116.1 | 22.5 | -137.9 | 158.7 | 0 | 0 | 0 | 113.1 | ||||
| 1084 | S | 22.8 | Very low | 26.4 | Very low | 89 Ų | 89 | 144.6 Ų | 144.6 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 51.7 | 106 | 163.4 | 58.1 | 0 | 0 | 0 | 0 | 120.3 | ||
| 1085 | T | 24 | Very low | 26.4 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | 51.1 | 99.8 | 130 | 60 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1086 | S | 23.4 | Very low | 26.1 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | -139.6 | 115.9 | 143.5 | -169.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1087 | L | 22.9 | Very low | 26.1 | Very low | 157 Ų | 157 | 143 Ų | 143 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -57.2 | 161.7 | 177 | -72.5 | 142.7 | 0 | 0 | 0 | 114.8 | ||||
| 1088 | K | 24 | Very low | 25.5 | Very low | 204 Ų | 204 | 141.4 Ų | 141.4 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | trans | 106.5 | 127.8 | 172.1 | -62.6 | 158.8 | -176.4 | 173.3 | 0 | 112.2 | ||||
| 1089 | S | 25.6 | Very low | 25.5 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | cis | -161.7 | 123.6 | 1.3 | 157.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1090 | R | 25.9 | Very low | 25.5 | Very low | 233 Ų | 233 | 134.3 Ų | 134.3 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | trans | 64.2 | 151.1 | 158.3 | -63.7 | 171.1 | 176 | -174.4 | -2 | 114.8 | ||||
| 1091 | R | 27.7 | Very low | 25.6 | Very low | 223 Ų | 223 | 137.6 Ų | 137.6 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | cis | -160.5 | 162.9 | -5.4 | -118.1 | -164.6 | 163.5 | 177 | -5.3 | 105.2 | ||||
| 1092 | T | 29.8 | Very low | 25.6 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | cis | -179.5 | 147.6 | -28.1 | 26.1 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 1093 | S | 30 | Very low | 25.6 | Very low | 86 Ų | 86 | 139 Ų | 139 | 60% | 0.601 | 74% | 0.738 | S | S | * | * | cis | 178.9 | 153.7 | 1.1 | 45 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1094 | N | 27.3 | Very low | 26.1 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | 59.6 | 150.9 | 150 | -60.1 | -5.3 | 0 | 0 | 0 | 118.5 | ||||
| 1095 | L | 26.5 | Very low | 26.3 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | cis | -142.4 | 157.5 | 3.5 | -156.5 | 73.9 | 0 | 0 | 0 | 111.1 | ||||
| 1096 | T | 26.2 | Very low | 26.5 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | trans | -62.4 | -179.9 | 164.2 | -24.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1097 | I | 25.2 | Very low | 26.7 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | trans | 81.5 | 132.3 | 159.4 | -67.3 | 153.8 | 0 | 0 | 0 | 114.6 | ||||
| 1098 | S | 24.1 | Very low | 26.9 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 62% | 0.622 | 71% | 0.714 | S | S | * | * | cis | -169.4 | 153.6 | -12.5 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1099 | S | 24.8 | Very low | 27.2 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 59% | 0.587 | 71% | 0.709 | S | S | * | * | trans | 41.7 | 143.7 | 143.1 | 67.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1100 | N | 25.2 | Very low | 27.2 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | trans | 69 | 147.2 | 147.2 | -68.2 | -30.4 | 0 | 0 | 0 | 114.9 | ||||
| 1101 | K | 25.9 | Very low | 27.4 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | cis | -171.2 | 166.3 | 14.7 | -128.1 | 167.9 | -179.5 | -179.2 | 0 | 106.7 | ||||
| 1102 | I | 26.1 | Very low | 27.3 | Very low | 137 Ų | 137 | 126 Ų | 126 | 70% | 0.703 | 69% | 0.69 | S | S | * | * | trans | 66.1 | 129 | 148.3 | -66.1 | 163.4 | 0 | 0 | 0 | 116 | ||||
| 1103 | H | 27 | Very low | 27.5 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 74% | 0.741 | 70% | 0.697 | S | S | * | * | cis | -150.7 | 160 | -3.3 | -130 | -142.2 | 0 | 0 | 0 | 109.5 | ||||
| 1104 | P | 33.8 | Very low | 27.5 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 63% | 0.63 | 70% | 0.704 | S | S | * | * | trans | -81.9 | -178 | 168.9 | 38.2 | -36.5 | 0 | 0 | 0 | 110.7 | ||||
| 1105 | L | 26.2 | Very low | 27.8 | Very low | 149 Ų | 149 | 126.8 Ų | 126.8 | 78% | 0.78 | 70% | 0.696 | S | S | * | * | -165.2 | 112 | 129.5 | -96.9 | 155.7 | 0 | 0 | 0 | 109.9 | |||||
| 1106 | T | 27.7 | Very low | 27.9 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 61% | 0.613 | 70% | 0.696 | S | S | * | * | 33.4 | 135.8 | 124.6 | 63 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1107 | N | 28.4 | Very low | 27.9 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 78% | 0.781 | 70% | 0.698 | S | S | * | * | cis | -171 | 166.9 | 42.7 | -107.2 | -20.5 | 0 | 0 | 0 | 108.5 | ||||
| 1108 | S | 27.6 | Very low | 28 | Very low | 78 Ų | 78 | 126.2 Ų | 126.2 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | cis | -177.7 | 155.7 | -6.6 | 47.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1109 | I | 29.3 | Very low | 28.2 | Very low | 151 Ų | 151 | 130 Ų | 130 | 77% | 0.774 | 71% | 0.705 | S | S | * | * | trans | 66.1 | 128.2 | 142.9 | -71.6 | 165.3 | 0 | 0 | 0 | 116.8 | ||||
| 1110 | D | 27.3 | Very low | 28.4 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 55% | 0.551 | 70% | 0.701 | S | S | * | * | cis | -159.8 | 166.5 | -1.2 | -135.4 | -12.8 | 0 | 0 | 0 | 113.5 | ||||
| 1111 | R | 28.2 | Very low | 28.5 | Very low | 204 Ų | 204 | 129.7 Ų | 129.7 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | trans | 54.3 | 122.2 | 154.9 | -65.7 | 159.5 | -145.6 | -110.5 | -12.6 | 120 | ||||
| 1112 | S | 27.5 | Very low | 28.5 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 63% | 0.629 | 68% | 0.68 | S | S | * | * | cis | 102.2 | 93.7 | 20.1 | 82 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1113 | S | 32.9 | Very low | 28.6 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | -177.3 | 96 | 155.6 | 35.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1114 | I | 29.8 | Very low | 28.7 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | cis | 73 | 132 | 23.4 | -107.6 | 175 | 0 | 0 | 0 | 113.2 | ||||
| 1115 | P | 34.8 | Very low | 28.4 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | cis | -132 | -171.8 | -45.8 | 27.7 | -3.6 | 0 | 0 | 0 | 110.9 | ||||
| 1116 | S | 28.2 | Very low | 28.3 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | 139.3 | 176.8 | 89.6 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1117 | I | 25.4 | Very low | 28.2 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 72% | 0.723 | 72% | 0.718 | S | S | * | * | -165.3 | 133.4 | -70.3 | -108.3 | 167.7 | 0 | 0 | 0 | 109.7 | |||||
| 1118 | I | 27 | Very low | 28 | Very low | 151 Ų | 151 | 140 Ų | 140 | 77% | 0.774 | 72% | 0.719 | S | S | * | * | trans | 44.6 | 126.6 | 151.4 | -56.3 | 171.5 | 0 | 0 | 0 | 120.4 | ||||
| 1119 | Q | 28.7 | Very low | 27.8 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | -156.1 | 138.9 | 136.5 | -114.8 | -171.7 | 0.9 | 0 | 0 | 115.6 | ||||
| 1120 | H | 29.5 | Very low | 27.6 | Very low | 110 Ų | 110 | 148 Ų | 148 | 51% | 0.509 | 74% | 0.739 | S | S | . | * | trans | 70.5 | 165.1 | 159.6 | -68.6 | -62.6 | 0 | 0 | 0 | 123.3 | N881 N882 | N881-H1120 PolarHBondContact O-CE1 2.65Å; N881-H1120 VanDerWaalsContact O-CE1 3.3Å; N882-H1120 PolarHBondContact O-CE1 2.99Å; N882-H1120 VanDerWaalsContact O-CE1 3.29Å; N882-H1120 PolarHBondContact O-ND1 2.94Å | ||
| 1121 | R | 26.4 | Very low | 27.5 | Very low | 107 Ų | 107 | 151 Ų | 151 | 40% | 0.404 | 76% | 0.755 | S | S | . | * | trans | -163.8 | 152 | -141.5 | -161.4 | -158.6 | -164.7 | 166.4 | 15.5 | 111.9 | N880 N881 | N880-R1121 VanDerWaalsContact OD1-CZ 3.3Å; N880-R1121 PolarHBondContact OD1-NH1 3.39Å; N880-R1121 PolarHBondContact OD1-NH2 3.22Å; N880-R1121 VanDerWaalsContact OD1-NH2 3.1Å; N881-R1121 PolarHBondContact OD1-NH1 3.38Å | ||
| 1122 | N | 27.6 | Very low | 27.5 | Very low | 114 Ų | 114 | 149 Ų | 149 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | trans | 58.9 | 109.5 | 161.2 | -70.5 | -4 | 0 | 0 | 0 | 120.3 | ||||
| 1123 | K | 28.1 | Very low | 27.5 | Very low | 163 Ų | 163 | 152 Ų | 152 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | -167.4 | 142.8 | 122.8 | -113.4 | 172.4 | -176.5 | 176.3 | 0 | 115.1 | |||||
| 1124 | Q | 28.5 | Very low | 27.4 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | 67.9 | 125.9 | 160.6 | -69.3 | -177.9 | -50.3 | 0 | 0 | 120.6 | ||||
| 1125 | N | 27.2 | Very low | 27.2 | Very low | 165 Ų | 165 | 152.2 Ų | 152.2 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | trans | -94.4 | 145.1 | 177.3 | -51.2 | -28.6 | 0 | 0 | 0 | 111.3 | ||||
| 1126 | K | 23.8 | Very low | 26.9 | Very low | 206 Ų | 206 | 157.8 Ų | 157.8 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | -162.6 | 146.5 | 129.9 | -119.1 | -178 | 179.6 | -173.7 | 0 | 111.8 | |||||
| 1127 | M | 26 | Very low | 26.9 | Very low | 188 Ų | 188 | 158.6 Ų | 158.6 | 93% | 0.926 | 77% | 0.771 | S | S | * | * | trans | 62.7 | 117.2 | -179.2 | -78.2 | 174.4 | 156.4 | 0 | 0 | 116.8 | ||||
| 1128 | N | 24.4 | Very low | 27.2 | Very low | 149 Ų | 149 | 156.9 Ų | 156.9 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | -104.3 | -176 | 173 | -75.2 | -22.3 | 0 | 0 | 0 | 110.1 | ||||
| 1129 | F | 24.2 | Very low | 27.5 | Very low | 196 Ų | 196 | 151.1 Ų | 151.1 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | trans | 69 | 69.8 | 169.8 | -71.8 | -83.7 | 0 | 0 | 0 | 116.9 | ||||
| 1130 | F | 25.1 | Very low | 27.7 | Very low | 202 Ų | 202 | 146.8 Ų | 146.8 | 89% | 0.886 | 72% | 0.721 | S | S | * | * | -172.1 | 102.8 | 123.2 | -106.7 | -68.8 | 0 | 0 | 0 | 110.2 | |||||
| 1131 | N | 24.6 | Very low | 27.8 | Very low | 166 Ų | 166 | 149.7 Ų | 149.7 | 89% | 0.888 | 73% | 0.728 | S | S | * | * | trans | 173.6 | 100.7 | 154.2 | -98 | -34.9 | 0 | 0 | 0 | 111.2 | ||||
| 1132 | L | 27.3 | Very low | 28.1 | Very low | 163 Ų | 163 | 151.5 Ų | 151.5 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | -162 | 65.9 | 163.1 | -117.2 | 178.2 | 0 | 0 | 0 | 112.5 | ||||
| 1133 | L | 28.8 | Very low | 28.3 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | 172 | 137.4 | 128.7 | -112.4 | 64.6 | 0 | 0 | 0 | 110.8 | |||||
| 1134 | P | 30.2 | Very low | 28.6 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | trans | -93.8 | 157.8 | 172.6 | 37.1 | -33.6 | 0 | 0 | 0 | 112.3 | ||||
| 1135 | L | 26.1 | Very low | 28.7 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | trans | 168.7 | 160.5 | 133 | -91.4 | 161.8 | 0 | 0 | 0 | 112.2 | ||||
| 1136 | Y | 28.4 | Very low | 29 | Very low | 216 Ų | 216 | 141.1 Ų | 141.1 | 85% | 0.847 | 71% | 0.705 | S | S | * | * | trans | 65 | 97.6 | 174.7 | -79.6 | -81.9 | 0 | 0 | 0 | 119.3 | ||||
| 1137 | N | 28.7 | Very low | 29.5 | Very low | 124 Ų | 124 | 139 Ų | 139 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | trans | -70.8 | 135.5 | 163.1 | -65.4 | -3.5 | 0 | 0 | 0 | 111.1 | ||||
| 1138 | N | 31.1 | Very low | 30 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 56% | 0.561 | 68% | 0.678 | S | S | * | * | trans | -150.5 | 94.2 | 161.2 | -169.3 | -33.5 | 0 | 0 | 0 | 108.8 | T1140 R1141 | N1138-T1140 PolarHBondContact O-N 3.33Å; N1138-T1140 WeakPolarHBondContact OD1-CB 3.37Å; N1138-T1140 PolarHBondContact OD1-OG1 2.8Å; N1138-R1141 PolarHBondContact O-N 3.13Å; N1138-R1141 VanDerWaalsContact O-N 3.07Å | ||
| 1139 | P | 32.4 | Very low | 30.4 | Very low | 29 Ų | 29 | 137.5 Ų | 137.5 | 19% | 0.188 | 67% | 0.67 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -57.9 | -14.4 | -170.5 | -32 | 39.5 | 0 | 0 | 0 | 116.4 | Q249 R1141 Q1142 | Q249-P1139 HydrophobicContact CB-CB 3.91Å; Q249-P1139 HydrophobicContact CB-CG 3.92Å; Q249-P1139 HydrophobicContact CG-CB 4.13Å; P1139-R1141 PolarHBondContact O-N 3.35Å; P1139-Q1142 PolarHBondContact O-N 2.85Å |
| 1140 | T | 33.5 | Very low | 30.9 | Very low | 78 Ų | 78 | 135 Ų | 135 | 48% | 0.479 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -50.6 | -30 | 168.7 | -37.2 | 0 | 0 | 0 | 0 | 112.8 | Q249 N1138 | Q249-T1140 PolarHBondContact NE2-OG1 3.38Å; N1138-T1140 PolarHBondContact O-N 3.33Å; N1138-T1140 WeakPolarHBondContact OD1-CB 3.37Å; N1138-T1140 PolarHBondContact OD1-OG1 2.8Å |
| 1141 | R | 32.8 | Very low | 31.3 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 64% | 0.642 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.6 | -14.3 | 175 | -88.9 | -168.9 | 178.3 | -165.3 | 1.8 | 115.2 | D573 N1138 P1139 S1145 | D573-R1141 IonicContact OD2-NH2 3.13Å; D573-R1141 PolarHBondContact OD2-NH2 2.96Å; N1138-R1141 PolarHBondContact O-N 3.13Å; N1138-R1141 VanDerWaalsContact O-N 3.07Å; P1139-R1141 PolarHBondContact O-N 3.35Å; R1141-S1145 WeakPolarHBondContact O-CA 3.46Å; R1141-S1145 WeakPolarHBondContact O-CB 3.36Å; R1141-S1145 PolarHBondContact O-N 2.95Å |
| 1142 | Q | 32.4 | Very low | 31.7 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 68% | 0.682 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.2 | -40.7 | -176 | -90.4 | -176.6 | -11.8 | 0 | 0 | 114.2 | P1139 I1144 S1145 Q1146 | P1139-Q1142 PolarHBondContact O-N 2.85Å; Q1142-I1144 VanDerWaalsContact C-N 3.33Å; Q1142-I1144 PolarHBondContact O-N 3.17Å; Q1142-S1145 PolarHBondContact O-N 3.19Å; Q1142-Q1146 PolarHBondContact O-N 3.48Å |
| 1143 | C | 30.6 | Very low | 32 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 68% | 0.682 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.8 | -42.7 | 173 | -71.4 | 0 | 0 | 0 | 0 | 111.1 | S1145 Q1146 Y1147 | C1143-S1145 VanDerWaalsContact C-N 3.35Å; C1143-Q1146 PolarHBondContact O-N 3.21Å; C1143-Y1147 PolarHBondContact O-N 2.93Å; C1143-Y1147 VanDerWaalsContact O-N 3.14Å |
| 1144 | I | 34.5 | Very low | 32.4 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 46% | 0.462 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64 | -41.1 | 175.1 | -60 | 175.5 | 0 | 0 | 0 | 110.3 | Q1142 Q1146 Y1147 Y1148 | Q1142-I1144 VanDerWaalsContact C-N 3.33Å; Q1142-I1144 PolarHBondContact O-N 3.17Å; I1144-Q1146 PolarHBondContact O-N 3.42Å; I1144-Y1147 PolarHBondContact O-N 3.23Å; I1144-Y1148 HydrophobicContact CG2-CD2 3.59Å; I1144-Y1148 HydrophobicContact CG2-CE2 3.82Å; I1144-Y1148 WeakPolarHBondContact O-CB 3.23Å; I1144-Y1148 WeakPolarHBondContact O-CD2 3.49Å; I1144-Y1148 PolarHBondContact O-N 3.08Å |
| 1145 | S | 31.4 | Very low | 32.6 | Very low | 64 Ų | 64 | 121.2 Ų | 121.2 | 45% | 0.448 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65 | -35.1 | 178.9 | -175.3 | 0 | 0 | 0 | 0 | 113.2 | R1141 Q1142 C1143 K1149 | R1141-S1145 WeakPolarHBondContact O-CA 3.46Å; R1141-S1145 WeakPolarHBondContact O-CB 3.36Å; R1141-S1145 PolarHBondContact O-N 2.95Å; Q1142-S1145 PolarHBondContact O-N 3.19Å; C1143-S1145 VanDerWaalsContact C-N 3.35Å; S1145-K1149 VanDerWaalsContact O-CB 3.29Å; S1145-K1149 WeakPolarHBondContact O-CB 3.48Å; S1145-K1149 PolarHBondContact O-N 3.3Å |
| 1146 | Q | 34.2 | Very low | 33.1 | Very low | 151 Ų | 151 | 118 Ų | 118 | 71% | 0.706 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.5 | -44 | 171.8 | -77.1 | -170.4 | -36.8 | 0 | 0 | 111.8 | Q1142 C1143 I1144 Y1148 K1149 Q1150 | Q1142-Q1146 PolarHBondContact O-N 3.48Å; C1143-Q1146 PolarHBondContact O-N 3.21Å; I1144-Q1146 PolarHBondContact O-N 3.42Å; Q1146-Y1148 PolarHBondContact O-N 3.41Å; Q1146-K1149 PolarHBondContact O-N 2.59Å; Q1146-Q1150 PolarHBondContact O-N 3.42Å; Q1146-Q1150 VanDerWaalsContact O-N 3.08Å |
| 1147 | Y | 33.5 | Very low | 33.5 | Very low | 163 Ų | 163 | 110.6 Ų | 110.6 | 64% | 0.639 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.2 | -45.5 | 176.4 | -150 | -89.8 | 0 | 0 | 0 | 111.4 | C1143 I1144 Q1150 Y1151 | C1143-Y1147 PolarHBondContact O-N 2.93Å; C1143-Y1147 VanDerWaalsContact O-N 3.14Å; I1144-Y1147 PolarHBondContact O-N 3.23Å; Y1147-Q1150 PolarHBondContact O-N 3.5Å; Y1147-Y1151 AromaticContact CD1-CD2 3.93Å; Y1147-Y1151 HydrophobicContact CD1-CD2 3.93Å; Y1147-Y1151 HydrophobicContact CD1-CE2 4.15Å; Y1147-Y1151 AromaticContact CE1-CD2 3.81Å; Y1147-Y1151 HydrophobicContact CE1-CD2 3.81Å; Y1147-Y1151 AromaticContact CE1-CE2 3.54Å; Y1147-Y1151 HydrophobicContact CE1-CE2 3.54Å; Y1147-Y1151 PolarHBondContact O-N 3.35Å |
| 1148 | Y | 36.4 | Very low | 33.9 | Very low | 161 Ų | 161 | 110 Ų | 110 | 63% | 0.631 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.9 | -29.3 | 174.1 | -91.9 | -97.4 | 0 | 0 | 0 | 113.7 | I1144 Q1146 S1152 | I1144-Y1148 HydrophobicContact CG2-CD2 3.59Å; I1144-Y1148 HydrophobicContact CG2-CE2 3.82Å; I1144-Y1148 WeakPolarHBondContact O-CB 3.23Å; I1144-Y1148 WeakPolarHBondContact O-CD2 3.49Å; I1144-Y1148 PolarHBondContact O-N 3.08Å; Q1146-Y1148 PolarHBondContact O-N 3.41Å; Y1148-S1152 WeakPolarHBondContact O-CA 3.4Å; Y1148-S1152 WeakPolarHBondContact O-CB 3.27Å; Y1148-S1152 PolarHBondContact O-N 3.29Å |
| 1149 | K | 33.5 | Very low | 34.2 | Very low | 143 Ų | 143 | 109.8 Ų | 109.8 | 62% | 0.622 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.6 | -40.8 | 174.3 | -106.7 | -170.8 | 169.9 | -173.3 | 0 | 111.8 | S1145 Q1146 M1153 | S1145-K1149 VanDerWaalsContact O-CB 3.29Å; S1145-K1149 WeakPolarHBondContact O-CB 3.48Å; S1145-K1149 PolarHBondContact O-N 3.3Å; Q1146-K1149 PolarHBondContact O-N 2.59Å; K1149-M1153 WeakPolarHBondContact O-CB 3.48Å; K1149-M1153 WeakPolarHBondContact O-CG 3.45Å; K1149-M1153 PolarHBondContact O-N 3.22Å |
| 1150 | Q | 33.1 | Very low | 34.5 | Very low | 143 Ų | 143 | 115.5 Ų | 115.5 | 67% | 0.668 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70 | -46.3 | 178.5 | -164 | 159.9 | -16.3 | 0 | 0 | 110.4 | Q1146 Y1147 S1152 E1154 | Q1146-Q1150 PolarHBondContact O-N 3.42Å; Q1146-Q1150 VanDerWaalsContact O-N 3.08Å; Y1147-Q1150 PolarHBondContact O-N 3.5Å; Q1150-S1152 PolarHBondContact O-N 3.42Å; Q1150-E1154 WeakPolarHBondContact O-CB 3.3Å; Q1150-E1154 PolarHBondContact O-N 2.67Å; Q1150-E1154 VanDerWaalsContact O-N 3.14Å |
| 1151 | Y | 34.5 | Very low | 34.8 | Very low | 126 Ų | 126 | 118.3 Ų | 118.3 | 49% | 0.494 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.1 | -41.6 | 171.9 | -97.7 | -90.7 | 0 | 0 | 0 | 113.3 | Y1147 E1154 T1155 | Y1147-Y1151 AromaticContact CD1-CD2 3.93Å; Y1147-Y1151 HydrophobicContact CD1-CD2 3.93Å; Y1147-Y1151 HydrophobicContact CD1-CE2 4.15Å; Y1147-Y1151 AromaticContact CE1-CD2 3.81Å; Y1147-Y1151 HydrophobicContact CE1-CD2 3.81Å; Y1147-Y1151 AromaticContact CE1-CE2 3.54Å; Y1147-Y1151 HydrophobicContact CE1-CE2 3.54Å; Y1147-Y1151 PolarHBondContact O-N 3.35Å; Y1151-E1154 PolarHBondContact O-N 2.66Å; Y1151-T1155 WeakPolarHBondContact O-CB 3.29Å; Y1151-T1155 WeakPolarHBondContact O-CG2 3.47Å; Y1151-T1155 PolarHBondContact O-N 2.93Å; Y1151-T1155 PolarHBondContact O-OG1 2.79Å |
| 1152 | S | 33.2 | Very low | 34.9 | Very low | 52 Ų | 52 | 114.6 Ų | 114.6 | 36% | 0.364 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.1 | -51.6 | 178.9 | -170.4 | 0 | 0 | 0 | 0 | 111.2 | Y1148 Q1150 E1154 T1155 D1156 | Y1148-S1152 WeakPolarHBondContact O-CA 3.4Å; Y1148-S1152 WeakPolarHBondContact O-CB 3.27Å; Y1148-S1152 PolarHBondContact O-N 3.29Å; Q1150-S1152 PolarHBondContact O-N 3.42Å; S1152-E1154 PolarHBondContact O-N 2.93Å; S1152-T1155 WeakPolarHBondContact CA-OG1 3.18Å; S1152-T1155 PolarHBondContact O-N 3.41Å; S1152-T1155 PolarHBondContact O-OG1 3.32Å; S1152-T1155 VanDerWaalsContact O-OG1 3.05Å; S1152-D1156 VanDerWaalsContact O-CB 3.32Å; S1152-D1156 WeakPolarHBondContact O-CB 3.2Å; S1152-D1156 PolarHBondContact O-N 3.44Å; S1152-D1156 PolarHBondContact OG-OD2 3.39Å |
| 1153 | M | 33.7 | Very low | 34.9 | Very low | 142 Ų | 142 | 110 Ų | 110 | 70% | 0.7 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.1 | -31.9 | 179.7 | -74.4 | -179.2 | 139.4 | 0 | 0 | 112.6 | K1149 S1157 | K1149-M1153 WeakPolarHBondContact O-CB 3.48Å; K1149-M1153 WeakPolarHBondContact O-CG 3.45Å; K1149-M1153 PolarHBondContact O-N 3.22Å; M1153-S1157 WeakPolarHBondContact O-CB 3.48Å; M1153-S1157 PolarHBondContact O-N 2.99Å |
| 1154 | E | 36.6 | Very low | 35.2 | Very low | 119 Ų | 119 | 109.2 Ų | 109.2 | 56% | 0.556 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -80.5 | -34.9 | 177.3 | -160.6 | 144.1 | -141.8 | 0 | 0 | 112.3 | Q1150 Y1151 S1152 Q1158 | Q1150-E1154 WeakPolarHBondContact O-CB 3.3Å; Q1150-E1154 PolarHBondContact O-N 2.67Å; Q1150-E1154 VanDerWaalsContact O-N 3.14Å; Y1151-E1154 PolarHBondContact O-N 2.66Å; S1152-E1154 PolarHBondContact O-N 2.93Å; E1154-Q1158 WeakPolarHBondContact O-CB 3.39Å; E1154-Q1158 WeakPolarHBondContact O-CG 3.49Å; E1154-Q1158 PolarHBondContact O-N 3.26Å |
| 1155 | T | 35.3 | Very low | 35.4 | Very low | 68 Ų | 68 | 110.9 Ų | 110.9 | 42% | 0.417 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -72.9 | -35 | 171.3 | 51.8 | 0 | 0 | 0 | 0 | 113.2 | Y1151 S1152 Q1158 L1159 | Y1151-T1155 WeakPolarHBondContact O-CB 3.29Å; Y1151-T1155 WeakPolarHBondContact O-CG2 3.47Å; Y1151-T1155 PolarHBondContact O-N 2.93Å; Y1151-T1155 PolarHBondContact O-OG1 2.79Å; S1152-T1155 WeakPolarHBondContact CA-OG1 3.18Å; S1152-T1155 PolarHBondContact O-N 3.41Å; S1152-T1155 PolarHBondContact O-OG1 3.32Å; S1152-T1155 VanDerWaalsContact O-OG1 3.05Å; T1155-Q1158 CarbonylContact O-C 3.6Å; T1155-Q1158 PolarHBondContact O-N 3.3Å; T1155-L1159 WeakPolarHBondContact O-CB 3.43Å; T1155-L1159 WeakPolarHBondContact O-CD1 3.24Å; T1155-L1159 VanDerWaalsContact O-CG 3.29Å; T1155-L1159 WeakPolarHBondContact O-CG 3.08Å; T1155-L1159 PolarHBondContact O-N 2.88Å |
| 1156 | D | 35.3 | Very low | 35.6 | Very low | 86 Ų | 86 | 110 Ų | 110 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.3 | -44.1 | 175.8 | -67.5 | -41.8 | 0 | 0 | 0 | 109.9 | S1152 Q1158 L1159 E1160 | S1152-D1156 VanDerWaalsContact O-CB 3.32Å; S1152-D1156 WeakPolarHBondContact O-CB 3.2Å; S1152-D1156 PolarHBondContact O-N 3.44Å; S1152-D1156 PolarHBondContact OG-OD2 3.39Å; D1156-Q1158 PolarHBondContact O-N 3.34Å; D1156-L1159 PolarHBondContact O-N 3.39Å; D1156-E1160 PolarHBondContact O-N 3.14Å |
| 1157 | S | 37.7 | Very low | 35.7 | Very low | 61 Ų | 61 | 107.2 Ų | 107.2 | 43% | 0.427 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -38.1 | 173.2 | 177.1 | 0 | 0 | 0 | 0 | 113.2 | M1153 | M1153-S1157 WeakPolarHBondContact O-CB 3.48Å; M1153-S1157 PolarHBondContact O-N 2.99Å |
| 1158 | Q | 37.1 | Very low | 36 | Very low | 111 Ų | 111 | 103 Ų | 103 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -78.3 | -28.1 | 172.3 | -71.2 | -166 | 22.4 | 0 | 0 | 113 | E1154 T1155 D1156 K1161 L1162 | E1154-Q1158 WeakPolarHBondContact O-CB 3.39Å; E1154-Q1158 WeakPolarHBondContact O-CG 3.49Å; E1154-Q1158 PolarHBondContact O-N 3.26Å; T1155-Q1158 CarbonylContact O-C 3.6Å; T1155-Q1158 PolarHBondContact O-N 3.3Å; D1156-Q1158 PolarHBondContact O-N 3.34Å; Q1158-K1161 PolarHBondContact O-N 3.39Å; Q1158-L1162 HydrophobicContact CB-CD1 4.3Å; Q1158-L1162 WeakPolarHBondContact O-CB 3.14Å; Q1158-L1162 WeakPolarHBondContact O-CD1 3.26Å; Q1158-L1162 WeakPolarHBondContact O-CG 3.49Å; Q1158-L1162 PolarHBondContact O-N 3.45Å |
| 1159 | L | 36.9 | Very low | 36 | Very low | 102 Ų | 102 | 98.3 Ų | 98.3 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 173.8 | -90.6 | 158.7 | 0 | 0 | 0 | 111.5 | T1155 D1156 K1161 L1162 S1163 | T1155-L1159 WeakPolarHBondContact O-CB 3.43Å; T1155-L1159 WeakPolarHBondContact O-CD1 3.24Å; T1155-L1159 VanDerWaalsContact O-CG 3.29Å; T1155-L1159 WeakPolarHBondContact O-CG 3.08Å; T1155-L1159 PolarHBondContact O-N 2.88Å; D1156-L1159 PolarHBondContact O-N 3.39Å; L1159-K1161 VanDerWaalsContact C-N 3.28Å; L1159-K1161 PolarHBondContact O-N 3.37Å; L1159-L1162 PolarHBondContact O-N 3.06Å; L1159-S1163 WeakPolarHBondContact O-CB 3.38Å; L1159-S1163 PolarHBondContact O-N 2.8Å; L1159-S1163 PolarHBondContact O-OG 3.11Å; L1159-S1163 VanDerWaalsContact O-OG 3.05Å |
| 1160 | E | 39 | Very low | 36.3 | Very low | 148 Ų | 148 | 96.1 Ų | 96.1 | 69% | 0.692 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.8 | -28.1 | 175.9 | -165.5 | 169.2 | -139.8 | 0 | 0 | 112.5 | D1156 S1163 T1164 | D1156-E1160 PolarHBondContact O-N 3.14Å; E1160-S1163 PolarHBondContact O-OG 2.93Å; E1160-T1164 PolarHBondContact O-OG1 3.26Å |
| 1161 | K | 38.9 | Very low | 36.8 | Very low | 137 Ų | 137 | 95 Ų | 95 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -83.1 | -34.1 | 171.3 | -71.1 | -178.7 | 176.6 | -179.6 | 0 | 113.7 | Q1158 L1159 T1164 E1165 | Q1158-K1161 PolarHBondContact O-N 3.39Å; L1159-K1161 VanDerWaalsContact C-N 3.28Å; L1159-K1161 PolarHBondContact O-N 3.37Å; K1161-T1164 WeakPolarHBondContact CA-OG1 3.07Å; K1161-T1164 PolarHBondContact O-OG1 2.78Å; K1161-E1165 WeakPolarHBondContact O-CB 3.31Å; K1161-E1165 WeakPolarHBondContact O-CG 3.31Å; K1161-E1165 PolarHBondContact O-N 3.03Å |
| 1162 | L | 34.5 | Very low | 36.9 | Very low | 93 Ų | 93 | 94 Ų | 94 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -84.5 | -19.2 | -179.1 | -72.2 | 167.3 | 0 | 0 | 0 | 113 | Q1158 L1159 S1166 | Q1158-L1162 HydrophobicContact CB-CD1 4.3Å; Q1158-L1162 WeakPolarHBondContact O-CB 3.14Å; Q1158-L1162 WeakPolarHBondContact O-CD1 3.26Å; Q1158-L1162 WeakPolarHBondContact O-CG 3.49Å; Q1158-L1162 PolarHBondContact O-N 3.45Å; L1159-L1162 PolarHBondContact O-N 3.06Å; L1162-S1166 VanDerWaalsContact O-CB 3.26Å; L1162-S1166 WeakPolarHBondContact O-CB 3.17Å; L1162-S1166 PolarHBondContact O-N 2.61Å; L1162-S1166 PolarHBondContact O-OG 3.37Å |
| 1163 | S | 34.1 | Very low | 37.3 | Very low | 48 Ų | 48 | 96.2 Ų | 96.2 | 34% | 0.336 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.9 | -45.4 | 165.6 | 59.5 | 0 | 0 | 0 | 0 | 110.7 | L1159 E1160 E1165 S1166 D1167 | L1159-S1163 WeakPolarHBondContact O-CB 3.38Å; L1159-S1163 PolarHBondContact O-N 2.8Å; L1159-S1163 PolarHBondContact O-OG 3.11Å; L1159-S1163 VanDerWaalsContact O-OG 3.05Å; E1160-S1163 PolarHBondContact O-OG 2.93Å; S1163-E1165 VanDerWaalsContact C-N 3.33Å; S1163-E1165 PolarHBondContact O-N 2.96Å; S1163-S1166 WeakPolarHBondContact CA-OG 3.17Å; S1163-S1166 PolarHBondContact O-N 3.31Å; S1163-S1166 VanDerWaalsContact O-N 3.09Å; S1163-S1166 PolarHBondContact O-OG 3.1Å; S1163-D1167 WeakPolarHBondContact O-CB 3.45Å; S1163-D1167 PolarHBondContact O-N 3.48Å |
| 1164 | T | 36.8 | Very low | 37.7 | Very low | 85 Ų | 85 | 95 Ų | 95 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -33.4 | 175.4 | 44.3 | 0 | 0 | 0 | 0 | 112.5 | E1160 K1161 T1168 | E1160-T1164 PolarHBondContact O-OG1 3.26Å; K1161-T1164 WeakPolarHBondContact CA-OG1 3.07Å; K1161-T1164 PolarHBondContact O-OG1 2.78Å; T1164-T1168 WeakPolarHBondContact O-CG2 3.31Å; T1164-T1168 PolarHBondContact O-N 3.33Å; T1164-T1168 PolarHBondContact O-OG1 3Å |
| 1165 | E | 37.4 | Very low | 37.9 | Very low | 126 Ų | 126 | 95.3 Ų | 95.3 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -75 | -29.7 | 167 | -74.1 | -173.8 | 173.3 | 0 | 0 | 114.1 | K1161 S1163 T1168 S1169 | K1161-E1165 WeakPolarHBondContact O-CB 3.31Å; K1161-E1165 WeakPolarHBondContact O-CG 3.31Å; K1161-E1165 PolarHBondContact O-N 3.03Å; S1163-E1165 VanDerWaalsContact C-N 3.33Å; S1163-E1165 PolarHBondContact O-N 2.96Å; E1165-T1168 WeakPolarHBondContact CA-OG1 3.37Å; E1165-T1168 PolarHBondContact O-OG1 3.27Å; E1165-S1169 VanDerWaalsContact O-CB 3.25Å; E1165-S1169 WeakPolarHBondContact O-CB 3.27Å; E1165-S1169 PolarHBondContact O-N 2.9Å; E1165-S1169 PolarHBondContact O-OG 2.99Å |
| 1166 | S | 35 | Very low | 38.3 | Very low | 44 Ų | 44 | 96.2 Ų | 96.2 | 31% | 0.308 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70 | -44.4 | 174.9 | 65.4 | 0 | 0 | 0 | 0 | 111.7 | L1162 S1163 T1168 S1169 I1170 | L1162-S1166 VanDerWaalsContact O-CB 3.26Å; L1162-S1166 WeakPolarHBondContact O-CB 3.17Å; L1162-S1166 PolarHBondContact O-N 2.61Å; L1162-S1166 PolarHBondContact O-OG 3.37Å; S1163-S1166 WeakPolarHBondContact CA-OG 3.17Å; S1163-S1166 PolarHBondContact O-N 3.31Å; S1163-S1166 VanDerWaalsContact O-N 3.09Å; S1163-S1166 PolarHBondContact O-OG 3.1Å; S1166-T1168 PolarHBondContact O-N 3.11Å; S1166-S1169 PolarHBondContact O-N 3.39Å; S1166-S1169 PolarHBondContact O-OG 2.88Å; S1166-I1170 WeakPolarHBondContact O-CB 3.46Å; S1166-I1170 VanDerWaalsContact O-CG1 3.22Å; S1166-I1170 WeakPolarHBondContact O-CG1 3.13Å; S1166-I1170 PolarHBondContact O-N 3.43Å |
| 1167 | D | 37.7 | Very low | 38.6 | Very low | 93 Ų | 93 | 96.9 Ų | 96.9 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.5 | -38.6 | -174.4 | -63.3 | -1.6 | 0 | 0 | 0 | 110.4 | S1163 Q1171 | S1163-D1167 WeakPolarHBondContact O-CB 3.45Å; S1163-D1167 PolarHBondContact O-N 3.48Å; D1167-Q1171 WeakPolarHBondContact O-CB 3.1Å; D1167-Q1171 VanDerWaalsContact O-CG 3.31Å; D1167-Q1171 WeakPolarHBondContact O-CG 3.5Å; D1167-Q1171 PolarHBondContact O-N 2.75Å |
| 1168 | T | 39.5 | Very low | 38.7 | Very low | 75 Ų | 75 | 100.2 Ų | 100.2 | 46% | 0.46 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.9 | -36.1 | 172.4 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | T1164 E1165 S1166 L1172 | T1164-T1168 WeakPolarHBondContact O-CG2 3.31Å; T1164-T1168 PolarHBondContact O-N 3.33Å; T1164-T1168 PolarHBondContact O-OG1 3Å; E1165-T1168 WeakPolarHBondContact CA-OG1 3.37Å; E1165-T1168 PolarHBondContact O-OG1 3.27Å; S1166-T1168 PolarHBondContact O-N 3.11Å; T1168-L1172 WeakPolarHBondContact O-CB 3.47Å; T1168-L1172 PolarHBondContact O-N 3.48Å |
| 1169 | S | 35.6 | Very low | 38.7 | Very low | 63 Ų | 63 | 103 Ų | 103 | 44% | 0.441 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -77.1 | -27 | 176.6 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | E1165 S1166 N1173 | E1165-S1169 VanDerWaalsContact O-CB 3.25Å; E1165-S1169 WeakPolarHBondContact O-CB 3.27Å; E1165-S1169 PolarHBondContact O-N 2.9Å; E1165-S1169 PolarHBondContact O-OG 2.99Å; S1166-S1169 PolarHBondContact O-N 3.39Å; S1166-S1169 PolarHBondContact O-OG 2.88Å; S1169-N1173 WeakPolarHBondContact O-CB 3.28Å; S1169-N1173 PolarHBondContact O-N 3.14Å |
| 1170 | I | 41.5 | Very low | 38.7 | Very low | 96 Ų | 96 | 105.6 Ų | 105.6 | 49% | 0.492 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.8 | -50 | 168.2 | -70.9 | 164.7 | 0 | 0 | 0 | 109.7 | S1166 L1172 N1173 E1174 | S1166-I1170 WeakPolarHBondContact O-CB 3.46Å; S1166-I1170 VanDerWaalsContact O-CG1 3.22Å; S1166-I1170 WeakPolarHBondContact O-CG1 3.13Å; S1166-I1170 PolarHBondContact O-N 3.43Å; I1170-L1172 VanDerWaalsContact C-N 3.28Å; I1170-L1172 PolarHBondContact O-N 3.29Å; I1170-N1173 PolarHBondContact O-N 2.96Å; I1170-N1173 VanDerWaalsContact O-N 3.07Å; I1170-E1174 PolarHBondContact O-N 3.38Å |
| 1171 | Q | 41.6 | Very low | 38.4 | Very low | 121 Ų | 121 | 104.3 Ų | 104.3 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.2 | -38 | 175.2 | -74.8 | 179.2 | 4.5 | 0 | 0 | 112.7 | D1167 E1174 Q1175 | D1167-Q1171 WeakPolarHBondContact O-CB 3.1Å; D1167-Q1171 VanDerWaalsContact O-CG 3.31Å; D1167-Q1171 WeakPolarHBondContact O-CG 3.5Å; D1167-Q1171 PolarHBondContact O-N 2.75Å; Q1171-E1174 PolarHBondContact O-N 3.15Å; Q1171-Q1175 WeakPolarHBondContact O-CB 3.29Å; Q1171-Q1175 WeakPolarHBondContact O-CG 3.2Å; Q1171-Q1175 PolarHBondContact O-N 2.78Å |
| 1172 | L | 37.7 | Very low | 38 | Very low | 103 Ų | 103 | 102.2 Ų | 102.2 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 173.4 | -96.1 | 160.7 | 0 | 0 | 0 | 112.6 | T1168 I1170 Q1175 I1176 | T1168-L1172 WeakPolarHBondContact O-CB 3.47Å; T1168-L1172 PolarHBondContact O-N 3.48Å; I1170-L1172 VanDerWaalsContact C-N 3.28Å; I1170-L1172 PolarHBondContact O-N 3.29Å; L1172-Q1175 PolarHBondContact O-N 3.45Å; L1172-I1176 WeakPolarHBondContact O-CB 3.07Å; L1172-I1176 WeakPolarHBondContact O-CD1 3.48Å; L1172-I1176 WeakPolarHBondContact O-CG1 3.45Å; L1172-I1176 PolarHBondContact O-N 2.87Å |
| 1173 | N | 40.4 | Very low | 37.9 | Very low | 100 Ų | 100 | 103.4 Ų | 103.4 | 54% | 0.535 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.8 | -36.2 | 175.3 | -99.9 | -14.6 | 0 | 0 | 0 | 112.3 | S1169 I1170 I1176 N1177 | S1169-N1173 WeakPolarHBondContact O-CB 3.28Å; S1169-N1173 PolarHBondContact O-N 3.14Å; I1170-N1173 PolarHBondContact O-N 2.96Å; I1170-N1173 VanDerWaalsContact O-N 3.07Å; N1173-I1176 PolarHBondContact O-N 2.8Å; N1173-N1177 WeakPolarHBondContact O-CB 3.42Å; N1173-N1177 PolarHBondContact O-N 3.4Å; N1173-N1177 PolarHBondContact O-ND2 3.02Å |
| 1174 | E | 43.1 | Very low | 37.6 | Very low | 116 Ų | 116 | 109.2 Ų | 109.2 | 54% | 0.542 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.2 | -47.1 | 171.9 | -72.1 | -169.7 | 124.3 | 0 | 0 | 111.1 | I1170 Q1171 I1176 N1177 L1178 | I1170-E1174 PolarHBondContact O-N 3.38Å; Q1171-E1174 PolarHBondContact O-N 3.15Å; E1174-I1176 VanDerWaalsContact C-N 3.27Å; E1174-I1176 PolarHBondContact O-N 3.33Å; E1174-N1177 PolarHBondContact O-N 2.96Å; E1174-L1178 WeakPolarHBondContact O-CB 3.35Å; E1174-L1178 VanDerWaalsContact O-CG 3.28Å; E1174-L1178 WeakPolarHBondContact O-CG 3.22Å; E1174-L1178 PolarHBondContact O-N 3.47Å |
| 1175 | Q | 41.2 | Very low | 37.4 | Very low | 126 Ų | 126 | 111.4 Ų | 111.4 | 59% | 0.589 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63 | -29.6 | 176.4 | -76.3 | -158.4 | 28.4 | 0 | 0 | 114.1 | Q1171 L1172 K1179 | Q1171-Q1175 WeakPolarHBondContact O-CB 3.29Å; Q1171-Q1175 WeakPolarHBondContact O-CG 3.2Å; Q1171-Q1175 PolarHBondContact O-N 2.78Å; L1172-Q1175 PolarHBondContact O-N 3.45Å; Q1175-K1179 WeakPolarHBondContact O-CG 3.27Å |
| 1176 | I | 43.6 | Very low | 37.1 | Very low | 86 Ų | 86 | 108.4 Ų | 108.4 | 44% | 0.441 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -77.2 | -45.8 | 176.4 | -71 | 166.3 | 0 | 0 | 0 | 110.8 | L1172 N1173 E1174 K1179 | L1172-I1176 WeakPolarHBondContact O-CB 3.07Å; L1172-I1176 WeakPolarHBondContact O-CD1 3.48Å; L1172-I1176 WeakPolarHBondContact O-CG1 3.45Å; L1172-I1176 PolarHBondContact O-N 2.87Å; N1173-I1176 PolarHBondContact O-N 2.8Å; E1174-I1176 VanDerWaalsContact C-N 3.27Å; E1174-I1176 PolarHBondContact O-N 3.33Å; I1176-K1179 PolarHBondContact O-N 2.84Å |
| 1177 | N | 40.9 | Very low | 36.9 | Very low | 100 Ų | 100 | 112.4 Ų | 112.4 | 54% | 0.535 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.9 | -37.2 | 178 | -75.4 | -73.7 | 0 | 0 | 0 | 112.3 | N1173 E1174 K1179 Q1180 | N1173-N1177 WeakPolarHBondContact O-CB 3.42Å; N1173-N1177 PolarHBondContact O-N 3.4Å; N1173-N1177 PolarHBondContact O-ND2 3.02Å; E1174-N1177 PolarHBondContact O-N 2.96Å; N1177-K1179 PolarHBondContact O-N 2.93Å; N1177-K1179 VanDerWaalsContact O-N 3.17Å; N1177-Q1180 PolarHBondContact O-N 3.5Å |
| 1178 | L | 40.9 | Very low | 36.7 | Very low | 132 Ų | 132 | 111.8 Ų | 111.8 | 69% | 0.691 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -2.9 | 174.7 | -71.2 | 167.5 | 0 | 0 | 0 | 114.2 | E1174 | E1174-L1178 WeakPolarHBondContact O-CB 3.35Å; E1174-L1178 VanDerWaalsContact O-CG 3.28Å; E1174-L1178 WeakPolarHBondContact O-CG 3.22Å; E1174-L1178 PolarHBondContact O-N 3.47Å |
| 1179 | K | 37.1 | Very low | 36.3 | Very low | 169 Ų | 169 | 113.8 Ų | 113.8 | 74% | 0.735 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -1.1 | 174.7 | -86.3 | -176.9 | 174.1 | 174.9 | 0 | 114.9 | Q1175 I1176 N1177 | Q1175-K1179 WeakPolarHBondContact O-CG 3.27Å; I1176-K1179 PolarHBondContact O-N 2.84Å; N1177-K1179 PolarHBondContact O-N 2.93Å; N1177-K1179 VanDerWaalsContact O-N 3.17Å |
| 1180 | Q | 36.5 | Very low | 36.2 | Very low | 157 Ų | 157 | 118 Ų | 118 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -109.9 | 6.6 | -179 | -70.4 | -166 | -25.3 | 0 | 0 | 114.9 | N1177 | N1177-Q1180 PolarHBondContact O-N 3.5Š|
| 1181 | T | 31.8 | Very low | 35.9 | Very low | 121 Ų | 121 | 119.5 Ų | 119.5 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -130.5 | 30.7 | -172 | 49.1 | 0 | 0 | 0 | 0 | 115 | ||
| 1182 | S | 31.7 | Very low | 35.5 | Very low | 92 Ų | 92 | 117.6 Ų | 117.6 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -149.6 | 160.8 | 167.2 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1183 | S | 31.6 | Very low | 35.4 | Very low | 118 Ų | 118 | 119 Ų | 119 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | 62.5 | 94.4 | -174.8 | 60.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1184 | L | 28.3 | Very low | 35.1 | Very low | 170 Ų | 170 | 117.1 Ų | 117.1 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | trans | -88.6 | 172 | 150.5 | -92.4 | 73.2 | 0 | 0 | 0 | 110.1 | ||||
| 1185 | S | 31.5 | Very low | 34.7 | Very low | 131 Ų | 131 | 117.5 Ų | 117.5 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | 86.9 | 155.8 | 161.6 | 81.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1186 | G | 32.5 | Very low | 34.4 | Very low | 63 Ų | 63 | 117.1 Ų | 117.1 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | trans | 99.8 | 54.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1187 | S | 30.7 | Very low | 33.9 | Very low | 128 Ų | 128 | 116.6 Ų | 116.6 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | 54.7 | 107.9 | 98.8 | 70.6 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1188 | G | 32.4 | Very low | 33.4 | Very low | 81 Ų | 81 | 117.6 Ų | 117.6 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -162.3 | 106.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1189 | S | 31.3 | Very low | 33.2 | Very low | 117 Ų | 117 | 116.8 Ų | 116.8 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -70.8 | 145.2 | -164.6 | 53.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1190 | T | 34.9 | Very low | 32.9 | Very low | 152 Ų | 152 | 114.8 Ų | 114.8 | 93% | 0.933 | 81% | 0.814 | S | S | * | * | trans | -155.1 | 159.6 | 136.2 | 3.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1191 | S | 33.3 | Very low | 32.7 | Very low | 126 Ų | 126 | 110.6 Ų | 110.6 | 88% | 0.881 | 81% | 0.814 | S | S | * | * | trans | -114.8 | 147.4 | -155.2 | 49.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1192 | G | 34.2 | Very low | 32.8 | Very low | 82 Ų | 82 | 111 Ų | 111 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -174.3 | 121 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1193 | S | 34.8 | Very low | 32.7 | Very low | 131 Ų | 131 | 109.6 Ų | 109.6 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | -91.9 | 159.8 | 178.5 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1194 | G | 34.2 | Very low | 32.7 | Very low | 61 Ų | 61 | 108.9 Ų | 108.9 | 63% | 0.629 | 82% | 0.816 | S | S | * | * | cis | 159.2 | 175 | -4.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1195 | S | 36.2 | Very low | 32.8 | Very low | 124 Ų | 124 | 106 Ų | 106 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | 63.6 | 155.1 | 169.6 | 71.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1196 | S | 33.5 | Very low | 32.8 | Very low | 119 Ų | 119 | 102.5 Ų | 102.5 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | cis | -175.5 | 145 | -25.6 | 53.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1197 | G | 33.1 | Very low | 32.5 | Very low | 74 Ų | 74 | 104.2 Ų | 104.2 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | 157.9 | 148 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1198 | S | 30.4 | Very low | 32.3 | Very low | 122 Ų | 122 | 107.2 Ų | 107.2 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -165.9 | -177.5 | -175.8 | -66.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1199 | P | 38.1 | Very low | 32 | Very low | 115 Ų | 115 | 110 Ų | 110 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | -133.8 | -169.4 | -57.3 | 40 | -24.4 | 0 | 0 | 0 | 113.7 | |||||
| 1200 | S | 30.2 | Very low | 31.8 | Very low | 126 Ų | 126 | 112.3 Ų | 112.3 | 88% | 0.881 | 78% | 0.779 | S | S | * | * | trans | 85.4 | 141.7 | 154.7 | 79.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1201 | G | 32.6 | Very low | 31.4 | Very low | 70 Ų | 70 | 112.3 Ų | 112.3 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | 159.7 | 77.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1202 | S | 32.4 | Very low | 31 | Very low | 130 Ų | 130 | 111.3 Ų | 111.3 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | trans | 30.4 | 135.6 | 151.1 | 61 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1203 | G | 30.8 | Very low | 30.6 | Very low | 61 Ų | 61 | 115.8 Ų | 115.8 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | trans | 155.4 | 86.7 | 145.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1204 | S | 32 | Very low | 30.1 | Very low | 103 Ų | 103 | 115.8 Ų | 115.8 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | 44.4 | 131.6 | 148.3 | 57.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 1205 | S | 28.9 | Very low | 29.8 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -106.1 | 169 | 165.6 | -41.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1206 | P | 32.9 | Very low | 29.2 | Very low | 57 Ų | 57 | 120.5 Ų | 120.5 | 37% | 0.37 | 75% | 0.754 | S | S | . | * | -133.5 | 167.9 | 92.4 | 17.5 | 6.2 | 0 | 0 | 0 | 112.4 | S1286 Q1287 | P1206-S1286 VanDerWaalsContact CD-CB 3.45Å; P1206-S1286 WeakPolarHBondContact CD-OG 3.39Å; P1206-S1286 VanDerWaalsContact CG-OG 3.31Å; P1206-S1286 WeakPolarHBondContact CG-OG 3.16Å; P1206-Q1287 WeakPolarHBondContact CD-O 3.36Å | |||
| 1207 | S | 26.2 | Very low | 28.8 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | 58 | 138.6 | 60.4 | -59.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1208 | K | 25.7 | Very low | 28.4 | Very low | 190 Ų | 190 | 122.8 Ų | 122.8 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | cis | -164.6 | -171.6 | 17.3 | -148 | 173.2 | -175.8 | 176.7 | 0 | 110 | ||||
| 1209 | I | 26.8 | Very low | 28.2 | Very low | 140 Ų | 140 | 122.4 Ų | 122.4 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | 73.9 | 117.4 | 166.3 | -55.9 | 147.9 | 0 | 0 | 0 | 112.8 | L1211 | I1209-L1211 HydrophobicContact CG2-CB 4.41Š| ||
| 1210 | I | 27.1 | Very low | 27.6 | Very low | 165 Ų | 165 | 121.9 Ų | 121.9 | 85% | 0.846 | 72% | 0.715 | S | S | * | * | cis | 60.2 | 83.1 | 25.2 | -47.2 | -177.9 | 0 | 0 | 0 | 114.3 | ||||
| 1211 | L | 25.6 | Very low | 27.4 | Very low | 152 Ų | 152 | 121.7 Ų | 121.7 | 80% | 0.796 | 71% | 0.714 | S | S | * | * | trans | -139.5 | 119.4 | 153.8 | -154.5 | 83.1 | 0 | 0 | 0 | 111.3 | I1209 | I1209-L1211 HydrophobicContact CG2-CB 4.41Š| ||
| 1212 | S | 25.7 | Very low | 27.1 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | trans | -80.1 | 134.5 | 176.5 | 47.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1213 | K | 25.6 | Very low | 26.9 | Very low | 176 Ų | 176 | 122.7 Ų | 122.7 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | trans | -142 | 109.3 | 152.2 | -78 | -166.2 | 177.8 | 179 | 0 | 109.3 | I1215 | K1213-I1215 PolarHBondContact O-N 3.23Š| ||
| 1214 | P | 24.5 | Very low | 26.7 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 84% | 0.844 | 70% | 0.697 | S | S | * | * | trans | -70.2 | 123.8 | 165.3 | 30 | -31.2 | 0 | 0 | 0 | 108.1 | ||||
| 1215 | I | 28.3 | Very low | 26.6 | Very low | 147 Ų | 147 | 126.9 Ų | 126.9 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | trans | -108.7 | 133.4 | 168.9 | -64 | -178.2 | 0 | 0 | 0 | 107.3 | K1213 | K1213-I1215 PolarHBondContact O-N 3.23Š| ||
| 1216 | Q | 23.8 | Very low | 26.4 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 65% | 0.645 | 69% | 0.689 | S | S | * | * | trans | -62.4 | 140.5 | -170.1 | -61.9 | 139.4 | -75.5 | 0 | 0 | 111.5 | ||||
| 1217 | T | 25.2 | Very low | 26.2 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | trans | -137.5 | 90.4 | 158.1 | -50.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1218 | T | 24.3 | Very low | 26.2 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 64% | 0.638 | 71% | 0.714 | S | S | * | * | trans | -88.4 | 116.3 | -176.8 | -59.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1219 | Y | 25.3 | Very low | 26.3 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 45% | 0.447 | 71% | 0.712 | S | S | . | * | S | Bend | trans | 70.3 | 179.7 | 166.9 | -68.9 | -146.2 | 0 | 0 | 0 | 115.7 | Y565 | Y565-Y1219 AromaticContact CD1-CE1 3.98Å; Y565-Y1219 HydrophobicContact CD1-CE1 3.98Å; Y565-Y1219 AromaticContact CD1-CZ 3.77Å; Y565-Y1219 WeakPolarHBondContact CD1-OH 3.48Å; Y565-Y1219 HydrophobicContact CE1-CD1 4.1Å; Y565-Y1219 HydrophobicContact CE1-CD2 4.38Å; Y565-Y1219 AromaticContact CE1-CE1 3.39Å; Y565-Y1219 HydrophobicContact CE1-CE1 3.39Å; Y565-Y1219 AromaticContact CE1-CE2 3.74Å; Y565-Y1219 HydrophobicContact CE1-CE2 3.74Å; Y565-Y1219 AromaticContact CE1-CZ 3.2Å; Y565-Y1219 VanDerWaalsContact CE1-OH 3.32Å; Y565-Y1219 WeakPolarHBondContact CE1-OH 3.33Å; Y565-Y1219 HydrophobicContact CE2-CE2 4.11Å; Y565-Y1219 AromaticContact CZ-CE2 3.43Å; Y565-Y1219 VanDerWaalsContact CZ-CE2 3.43Å; Y565-Y1219 AromaticContact CZ-CZ 3.41Å; Y565-Y1219 VanDerWaalsContact CZ-CZ 3.41Å; Y565-Y1219 WeakPolarHBondContact OH-CD2 3.49Å; Y565-Y1219 VanDerWaalsContact OH-CE2 3.22Å; Y565-Y1219 WeakPolarHBondContact OH-CE2 3.47Å |
| 1220 | F | 26.6 | Very low | 26.3 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 45% | 0.452 | 72% | 0.717 | S | S | . | * | trans | 65.2 | 106.3 | -179.5 | -79.3 | -81.6 | 0 | 0 | 0 | 118.2 | T1222 W1384 | F1220-T1222 WeakPolarHBondContact CD1-OG1 3.29Å; F1220-W1384 HydrophobicContact CD2-CZ2 4.43Å; F1220-W1384 AromaticContact CE1-CH2 3.8Å; F1220-W1384 HydrophobicContact CE1-CH2 3.8Å; F1220-W1384 HydrophobicContact CE1-CZ2 4.08Å; F1220-W1384 HydrophobicContact CE1-CZ3 4.13Å; F1220-W1384 AromaticContact CE2-CD2 3.8Å; F1220-W1384 HydrophobicContact CE2-CD2 3.8Å; F1220-W1384 AromaticContact CE2-CE2 3.42Å; F1220-W1384 VanDerWaalsContact CE2-CE2 3.42Å; F1220-W1384 HydrophobicContact CE2-CE3 4.24Å; F1220-W1384 HydrophobicContact CE2-CG 4.36Å; F1220-W1384 HydrophobicContact CE2-CH2 4.03Å; F1220-W1384 AromaticContact CE2-CZ2 3.55Å; F1220-W1384 HydrophobicContact CE2-CZ2 3.55Å; F1220-W1384 HydrophobicContact CE2-CZ3 4.35Å; F1220-W1384 AromaticContact CE2-NE1 3.76Å; F1220-W1384 AromaticContact CZ-CD2 3.72Å; F1220-W1384 HydrophobicContact CZ-CD2 3.72Å; F1220-W1384 AromaticContact CZ-CE2 3.54Å; F1220-W1384 AromaticContact CZ-CE3 3.66Å; F1220-W1384 HydrophobicContact CZ-CE3 3.66Å; F1220-W1384 AromaticContact CZ-CH2 3.31Å; F1220-W1384 HydrophobicContact CZ-CH2 3.31Å; F1220-W1384 AromaticContact CZ-CZ2 3.35Å; F1220-W1384 HydrophobicContact CZ-CZ2 3.35Å; F1220-W1384 AromaticContact CZ-CZ3 3.48Å; F1220-W1384 HydrophobicContact CZ-CZ3 3.48Å; F1220-W1384 VanDerWaalsContact CZ-CZ3 3.48Å | ||
| 1221 | S | 25.4 | Very low | 26.2 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | trans | -115.7 | 48.8 | 156.9 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1222 | T | 26.3 | Very low | 26.4 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 63% | 0.626 | 72% | 0.723 | S | S | * | * | trans | -140.9 | 77 | 172.7 | 36.9 | 0 | 0 | 0 | 0 | 110.8 | F1220 | F1220-T1222 WeakPolarHBondContact CD1-OG1 3.29Š| ||
| 1223 | N | 27.8 | Very low | 26.3 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | trans | -166 | 99.9 | 160.6 | -92.1 | -40.9 | 0 | 0 | 0 | 110.1 | ||||
| 1224 | L | 26.8 | Very low | 26.4 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | trans | -130.2 | 33.6 | 160.1 | -147.5 | 146.2 | 0 | 0 | 0 | 110.5 | T507 | T507-L1224 HydrophobicContact CG2-CB 4.4Å; T507-L1224 HydrophobicContact CG2-CD1 4.28Å | ||
| 1225 | I | 29.1 | Very low | 26.6 | Very low | 126 Ų | 126 | 131 Ų | 131 | 65% | 0.646 | 72% | 0.721 | S | S | * | * | trans | -138.8 | 93 | 165.6 | -56.1 | 179.2 | 0 | 0 | 0 | 106.5 | ||||
| 1226 | N | 26.3 | Very low | 26.6 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | trans | 176.6 | 62.4 | 154.3 | -93.8 | -3.1 | 0 | 0 | 0 | 110.8 | ||||
| 1227 | T | 27.2 | Very low | 26.6 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 89% | 0.89 | 73% | 0.729 | S | S | * | * | trans | -108.6 | 38 | 167.3 | -40.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1228 | V | 27.1 | Very low | 26.7 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -136.6 | 155.5 | 164 | -170.9 | 0 | 0 | 0 | 0 | 105.7 | ||
| 1229 | T | 27 | Very low | 26.9 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | 61 | 58.2 | -176.9 | 68.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1230 | T | 26.9 | Very low | 26.9 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | -116.9 | 72.8 | 148.9 | 28.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1231 | N | 26.6 | Very low | 27 | Very low | 157 Ų | 157 | 137 Ų | 137 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | -149.3 | 150.1 | 161.5 | -110.1 | -36.6 | 0 | 0 | 0 | 107.5 | ||||
| 1232 | Q | 29 | Very low | 27 | Very low | 198 Ų | 198 | 137 Ų | 137 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | trans | 68.4 | 74.4 | -169.9 | -58.9 | -175.9 | -23.5 | 0 | 0 | 115.9 | ||||
| 1233 | S | 24.1 | Very low | 27.1 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -120.9 | 104.8 | 140.6 | 52.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1234 | I | 26.9 | Very low | 27 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | -177.8 | 149.8 | 169.1 | -103.6 | 151.2 | 0 | 0 | 0 | 108.3 | ||||
| 1235 | I | 29.4 | Very low | 27 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 80.8 | 123.5 | -178.4 | -48.5 | -168.3 | 0 | 0 | 0 | 117 | ||
| 1236 | M | 27.1 | Very low | 26.8 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | 36.5 | 126.2 | 156.8 | -64.4 | -176.1 | -76.2 | 0 | 0 | 119.8 | ||||
| 1237 | N | 24.5 | Very low | 26.9 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | cis | 61 | 121.3 | 11.3 | -146.7 | 8 | 0 | 0 | 0 | 116.9 | ||||
| 1238 | Q | 27.3 | Very low | 27.1 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | 64.3 | 97 | 173.7 | -60.2 | 174.8 | -54.7 | 0 | 0 | 118.6 | ||||
| 1239 | S | 27.3 | Very low | 27 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | 179.2 | 135.4 | 111.5 | 47.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1240 | L | 26.6 | Very low | 26.9 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | trans | 23.9 | 146.8 | 132.1 | -57.8 | 161.8 | 0 | 0 | 0 | 120 | ||||
| 1241 | I | 28.2 | Very low | 26.8 | Very low | 128 Ų | 128 | 147.1 Ų | 147.1 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | cis | -178.8 | 138.4 | -20.2 | -131.8 | 179.4 | 0 | 0 | 0 | 106.6 | ||||
| 1242 | N | 25.1 | Very low | 26.8 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | trans | 61.6 | 166.5 | 156.1 | -58.7 | -9.9 | 0 | 0 | 0 | 124.1 | ||||
| 1243 | Y | 28.1 | Very low | 26.7 | Very low | 206 Ų | 206 | 141.1 Ų | 141.1 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | trans | 78.2 | 69.4 | 160.3 | -68.3 | -69.1 | 0 | 0 | 0 | 122.3 | ||||
| 1244 | H | 27.4 | Very low | 27 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | 52.3 | 142.3 | 98.2 | -150.3 | -90.7 | 0 | 0 | 0 | 121.3 | |||||
| 1245 | S | 25.9 | Very low | 27.2 | Very low | 85 Ų | 85 | 139 Ų | 139 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | trans | 73.1 | 113.7 | 155.8 | 30.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1246 | S | 25.8 | Very low | 27.3 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | 99.5 | 126.7 | 114.2 | -67.3 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1247 | I | 27.4 | Very low | 27.5 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 80% | 0.795 | 72% | 0.715 | S | S | * | * | trans | 72.9 | 117.4 | 144.8 | -61.9 | 163.2 | 0 | 0 | 0 | 118.3 | ||||
| 1248 | P | 30.9 | Very low | 27.5 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | trans | -95 | 152.9 | 160.7 | 37.3 | -31.2 | 0 | 0 | 0 | 111.7 | ||||
| 1249 | L | 24.6 | Very low | 27.6 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | trans | -175.4 | 165.2 | 145.3 | -108.5 | 170.6 | 0 | 0 | 0 | 112.8 | ||||
| 1250 | I | 26.4 | Very low | 27.5 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 72% | 0.723 | 72% | 0.719 | S | S | * | * | trans | 70.2 | 102.6 | 157.7 | -68.3 | 159.2 | 0 | 0 | 0 | 117.6 | ||||
| 1251 | Y | 23.7 | Very low | 27.6 | Very low | 205 Ų | 205 | 140.5 Ų | 140.5 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | 49.4 | 123.9 | 112.2 | -119.6 | -116.8 | 0 | 0 | 0 | 116.8 | |||||
| 1252 | N | 26.7 | Very low | 27.5 | Very low | 109 Ų | 109 | 143 Ų | 143 | 58% | 0.583 | 72% | 0.722 | S | S | * | * | 173.9 | 165.6 | 59.5 | -167.1 | 7.6 | 0 | 0 | 0 | 109.1 | |||||
| 1253 | N | 28.1 | Very low | 27.5 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | trans | 37.4 | 136.2 | 151.5 | -79.9 | -12.4 | 0 | 0 | 0 | 121.3 | ||||
| 1254 | N | 30.1 | Very low | 27.4 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | cis | -164 | 167.8 | 15.6 | -137.1 | -21.2 | 0 | 0 | 0 | 114.3 | ||||
| 1255 | N | 31.1 | Very low | 27.2 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 60% | 0.599 | 72% | 0.724 | S | S | * | * | trans | 62.2 | 99.8 | 151.6 | -67.4 | -30.3 | 0 | 0 | 0 | 120.8 | ||||
| 1256 | N | 31.6 | Very low | 27.3 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | 73.4 | 107.2 | 113.7 | -57.5 | -20.1 | 0 | 0 | 0 | 121.2 | |||||
| 1257 | N | 30 | Very low | 27.2 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | 60.3 | 103.8 | 123.7 | -68.1 | -23.5 | 0 | 0 | 0 | 120.4 | |||||
| 1258 | R | 26 | Very low | 27.1 | Very low | 229 Ų | 229 | 140.4 Ų | 140.4 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | 50.6 | 86.2 | 111.5 | -65.9 | 175.7 | 173.5 | 167.6 | -2 | 116.7 | |||||
| 1259 | N | 28.2 | Very low | 27 | Very low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | -95.6 | 159.7 | 126.5 | -48.9 | -70 | 0 | 0 | 0 | 106.2 | |||||
| 1260 | D | 24.7 | Very low | 27.1 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | cis | 60.6 | 156.4 | 35.3 | -71.7 | -33.2 | 0 | 0 | 0 | 114.3 | ||||
| 1261 | L | 29.2 | Very low | 27 | Very low | 143 Ų | 143 | 139 Ų | 139 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | trans | 70.7 | 146.1 | -171.3 | -42.3 | 168.8 | 0 | 0 | 0 | 112.6 | ||||
| 1262 | F | 27 | Very low | 27.2 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | cis | -149.8 | 130.5 | -3.4 | -134.4 | -139.5 | 0 | 0 | 0 | 105.8 | ||||
| 1263 | F | 25 | Very low | 27.5 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | 62.3 | 115.8 | 68 | -110.6 | -89 | 0 | 0 | 0 | 116.6 | |||||
| 1264 | Q | 24.9 | Very low | 27.5 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | 33.9 | 115.3 | 154.3 | -69.3 | 176.8 | -31.8 | 0 | 0 | 121.3 | ||||
| 1265 | S | 24.3 | Very low | 27.4 | Very low | 109 Ų | 109 | 141 Ų | 141 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | trans | 171.8 | 127.8 | 150.5 | -178.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1266 | I | 28.2 | Very low | 27.4 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | cis | -142.8 | 150.8 | 14.8 | -117.4 | 152.5 | 0 | 0 | 0 | 109.7 | S1268 | I1266-S1268 WeakPolarHBondContact CG2-O 3.1Š| ||
| 1267 | S | 23.7 | Very low | 27.4 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | trans | -109.6 | 154.1 | 161.4 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1268 | S | 24.4 | Very low | 27.4 | Very low | 77 Ų | 77 | 144.8 Ų | 144.8 | 54% | 0.538 | 73% | 0.731 | S | S | . | * | trans | 62.8 | 131.8 | -156.6 | 76.1 | 0 | 0 | 0 | 0 | 111.7 | I1266 | I1266-S1268 WeakPolarHBondContact CG2-O 3.1Š| ||
| 1269 | N | 29.5 | Very low | 27.4 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 68% | 0.679 | 71% | 0.709 | S | S | * | * | cis | -137.7 | 157.5 | 40.4 | -76.9 | -79 | 0 | 0 | 0 | 108.9 | ||||
| 1270 | L | 26.1 | Very low | 27.5 | Very low | 139 Ų | 139 | 135 Ų | 135 | 73% | 0.728 | 69% | 0.693 | S | S | * | * | 49.8 | 130.5 | 62.9 | -68.4 | 164.7 | 0 | 0 | 0 | 110.4 | |||||
| 1271 | D | 25.1 | Very low | 27.7 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 63% | 0.631 | 69% | 0.691 | S | S | * | * | cis | -167.5 | 170.9 | -5 | -155.3 | -17.4 | 0 | 0 | 0 | 106.7 | ||||
| 1272 | H | 27.3 | Very low | 27.8 | Very low | 157 Ų | 157 | 137 Ų | 137 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | trans | 56.7 | 177.7 | 169.8 | -64 | -81.7 | 0 | 0 | 0 | 115.2 | ||||
| 1273 | I | 32.2 | Very low | 28.2 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | cis | -123.4 | 110.5 | -5.2 | -73.7 | 179.6 | 0 | 0 | 0 | 105.6 | ||||
| 1274 | H | 29.9 | Very low | 28.4 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 59% | 0.593 | 68% | 0.68 | S | S | * | * | 82.3 | 118.3 | 88.1 | -151.8 | -123.5 | 0 | 0 | 0 | 115.2 | |||||
| 1275 | K | 27.8 | Very low | 28.6 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 67% | 0.674 | 67% | 0.673 | S | S | * | * | trans | 38 | 143.8 | 137 | -53.7 | 179.3 | -166.5 | 149.9 | 0 | 119.2 | ||||
| 1276 | I | 30.9 | Very low | 28.8 | Very low | 147 Ų | 147 | 130 Ų | 130 | 75% | 0.754 | 66% | 0.655 | S | S | * | * | -158.8 | 114.4 | 69.2 | -81.1 | 157.9 | 0 | 0 | 0 | 108.9 | |||||
| 1277 | Q | 32 | Very low | 28.8 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 66% | 0.659 | 65% | 0.651 | S | S | * | * | 63.2 | 131 | 114.9 | -52.2 | -155.4 | -68.5 | 0 | 0 | 117.6 | |||||
| 1278 | L | 28.3 | Very low | 29 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 80% | 0.801 | 64% | 0.635 | S | S | * | * | cis | 86.6 | 163.4 | 37.6 | -71.8 | 169.5 | 0 | 0 | 0 | 115.1 | ||||
| 1279 | N | 26.8 | Very low | 29.1 | Very low | 76 Ų | 76 | 131 Ų | 131 | 41% | 0.406 | 65% | 0.645 | S | S | . | * | trans | 80.7 | 129.7 | 168 | -68.1 | 3.8 | 0 | 0 | 0 | 116.8 | I1334 L1335 | N1279-I1334 PolarHBondContact ND2-O 3.42Å; N1279-I1334 VanDerWaalsContact ND2-O 3.08Å; N1279-L1335 PolarHBondContact ND2-O 2.96Å | ||
| 1280 | H | 31 | Very low | 29.2 | Very low | 85 Ų | 85 | 134.2 Ų | 134.2 | 39% | 0.394 | 66% | 0.656 | S | S | . | * | cis | -145.8 | 166.2 | -11.7 | -87.6 | -64.6 | 0 | 0 | 0 | 109.7 | I1334 L1335 | H1280-I1334 PolarHBondContact CE1-O 3.26Å; H1280-I1334 PolarHBondContact NE2-O 2.97Å; H1280-L1335 WeakPolarHBondContact NE2-CA 3.2Å; H1280-L1335 PolarHBondContact NE2-N 3.46Å | ||
| 1281 | R | 28.7 | Very low | 29.3 | Very low | 201 Ų | 201 | 130.1 Ų | 130.1 | 76% | 0.758 | 65% | 0.648 | S | S | * | * | cis | 107.1 | 106 | 5.4 | -155.7 | -170.3 | -162.7 | -148.8 | 6.7 | 117.5 | ||||
| 1282 | N | 31 | Very low | 29.4 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 72% | 0.722 | 66% | 0.657 | S | S | * | * | trans | 63.3 | -174.8 | 149 | -68.3 | 21.8 | 0 | 0 | 0 | 117.6 | ||||
| 1283 | P | 35.8 | Very low | 29.6 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 60% | 0.597 | 66% | 0.661 | S | S | * | * | cis | -120.2 | -168.5 | -14.1 | 14.3 | 13.7 | 0 | 0 | 0 | 112 | ||||
| 1284 | F | 28.4 | Very low | 29.4 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 72% | 0.719 | 66% | 0.657 | S | S | * | * | cis | -169.7 | 174.4 | 42.7 | -92.7 | -63 | 0 | 0 | 0 | 108.7 | ||||
| 1285 | Y | 28.7 | Very low | 29.4 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 66% | 0.659 | 67% | 0.668 | S | S | * | * | cis | -157 | 147.2 | 3 | -134.8 | -62.5 | 0 | 0 | 0 | 110.7 | ||||
| 1286 | S | 29 | Very low | 29.4 | Very low | 53 Ų | 53 | 131.5 Ų | 131.5 | 37% | 0.371 | 68% | 0.678 | S | S | . | * | trans | 56.7 | 150.4 | 157.6 | 34.7 | 0 | 0 | 0 | 0 | 120.8 | P1206 | P1206-S1286 VanDerWaalsContact CD-CB 3.45Å; P1206-S1286 WeakPolarHBondContact CD-OG 3.39Å; P1206-S1286 VanDerWaalsContact CG-OG 3.31Å; P1206-S1286 WeakPolarHBondContact CG-OG 3.16Å | ||
| 1287 | Q | 27.7 | Very low | 29.2 | Very low | 146 Ų | 146 | 132 Ų | 132 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | cis | 89.7 | 140.1 | 20.7 | -67.3 | 178.2 | -60 | 0 | 0 | 115.8 | P1206 | P1206-Q1287 WeakPolarHBondContact CD-O 3.36Š| ||
| 1288 | S | 27.9 | Very low | 28.9 | Very low | 65 Ų | 65 | 134.4 Ų | 134.4 | 46% | 0.455 | 69% | 0.694 | S | S | . | * | cis | -167.4 | 145.1 | -4.6 | 41.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1289 | I | 28.1 | Very low | 28.9 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | trans | 47.4 | 113.6 | 132.1 | -51.6 | 165.5 | 0 | 0 | 0 | 121.3 | ||||
| 1290 | H | 30.4 | Very low | 28.9 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 90% | 0.898 | 72% | 0.715 | S | S | * | * | 174.6 | 141.8 | 125.3 | -107.3 | -83.7 | 0 | 0 | 0 | 108.5 | |||||
| 1291 | G | 29 | Very low | 28.7 | Very low | 54 Ų | 54 | 141 Ų | 141 | 56% | 0.557 | 73% | 0.732 | S | S | * | * | cis | 177 | 166.4 | -8.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1292 | S | 27.7 | Very low | 28.7 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | 59.2 | 137 | -178.9 | 33.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1293 | D | 30.4 | Very low | 28.6 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | cis | -141.1 | -170.6 | 34.9 | -117.1 | -43.8 | 0 | 0 | 0 | 115.5 | ||||
| 1294 | N | 29.1 | Very low | 28.1 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | -102.8 | 171.3 | -155.9 | -72.1 | -82.2 | 0 | 0 | 0 | 117.4 | ||||
| 1295 | L | 28.8 | Very low | 28 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | 72.3 | 137.3 | 175.1 | -60.2 | 109.3 | 0 | 0 | 0 | 115.6 | ||||
| 1296 | M | 28.2 | Very low | 27.9 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | cis | -144 | 118.2 | 2.5 | -157.4 | 172.2 | -165.2 | 0 | 0 | 109.3 | ||||
| 1297 | N | 26.1 | Very low | 27.8 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -149.1 | 90.4 | -178.3 | -156.2 | -7.4 | 0 | 0 | 0 | 113.1 | ||||
| 1298 | Q | 27.1 | Very low | 27.7 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -140.6 | 137.8 | 160.8 | -67.7 | -179.2 | -5.5 | 0 | 0 | 105.4 | ||||
| 1299 | S | 27.7 | Very low | 27.7 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | cis | -146.5 | 127.9 | 6.2 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1300 | F | 26.5 | Very low | 27.8 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -97.2 | 162.1 | 153.2 | -116.9 | -97 | 0 | 0 | 0 | 108.9 | ||||
| 1301 | N | 26.4 | Very low | 27.5 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 77.3 | 93.3 | -176.8 | -49.2 | -34.6 | 0 | 0 | 0 | 115.6 | ||||
| 1302 | N | 29.4 | Very low | 27.5 | Very low | 158 Ų | 158 | 149 Ų | 149 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | -151.6 | 156.9 | 122.3 | -110.9 | -26.7 | 0 | 0 | 0 | 112.5 | |||||
| 1303 | L | 27.6 | Very low | 27.6 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -50.7 | 150.1 | 173.9 | -81.5 | 49.4 | 0 | 0 | 0 | 111.6 | ||||
| 1304 | F | 25.5 | Very low | 27.5 | Very low | 182 Ų | 182 | 146.7 Ų | 146.7 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | cis | 69.2 | 140.9 | 45 | -141.7 | -79.9 | 0 | 0 | 0 | 113.5 | ||||
| 1305 | M | 27.9 | Very low | 27.5 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | trans | 71.8 | 131.5 | -166.4 | -54.7 | -159.9 | 177.9 | 0 | 0 | 114.3 | ||||
| 1306 | T | 25.7 | Very low | 27.4 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | 83.1 | 152.4 | 50.9 | -40.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 1307 | T | 27.9 | Very low | 27.6 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 68.3 | 97.1 | 168.1 | 36.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1308 | T | 25.3 | Very low | 27.6 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | 39.9 | 137.2 | 119.1 | 54.3 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1309 | S | 27 | Very low | 27.6 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | 101.9 | 131.6 | 137.8 | 72.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1310 | T | 30 | Very low | 27.7 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | trans | 55.4 | 104 | 151 | 48.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1311 | T | 24.1 | Very low | 27.6 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 83% | 0.828 | 76% | 0.755 | S | S | * | * | trans | -71.9 | 132.5 | 152.1 | 19.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1312 | Y | 30.2 | Very low | 27.8 | Very low | 215 Ų | 215 | 139.6 Ų | 139.6 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | -147.9 | 104.1 | 144.7 | -99.9 | -75.4 | 0 | 0 | 0 | 110.3 | ||||
| 1313 | T | 29.2 | Very low | 27.6 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | trans | 41.1 | 132 | 135.4 | 60 | 0 | 0 | 0 | 0 | 122 | ||||
| 1314 | T | 28.1 | Very low | 27.8 | Very low | 116 Ų | 116 | 139 Ų | 139 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | trans | 66.2 | 138.6 | 140.6 | 52.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1315 | D | 29.2 | Very low | 27.9 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 67% | 0.674 | 75% | 0.745 | S | S | * | * | cis | -156.6 | 162.1 | 13.3 | -108.6 | -22.5 | 0 | 0 | 0 | 114.7 | ||||
| 1316 | Y | 27.1 | Very low | 27.9 | Very low | 201 Ų | 201 | 134.1 Ų | 134.1 | 79% | 0.788 | 75% | 0.745 | S | S | * | * | trans | 25.9 | 155.6 | 151.1 | -75.7 | -82 | 0 | 0 | 0 | 126.4 | ||||
| 1317 | T | 31.1 | Very low | 28.1 | Very low | 125 Ų | 125 | 136 Ų | 136 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | trans | 74.3 | 104.8 | 158.2 | 45.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1318 | T | 26.4 | Very low | 28.2 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | 83.9 | 134.9 | 62.1 | -28.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1319 | Y | 28.5 | Very low | 28.3 | Very low | 202 Ų | 202 | 135.2 Ų | 135.2 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | trans | 88.5 | 112.4 | 156.8 | -69.4 | -57.5 | 0 | 0 | 0 | 122.4 | ||||
| 1320 | T | 27.9 | Very low | 28.4 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | trans | 65.9 | 107.3 | 133.6 | 56.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1321 | T | 25.8 | Very low | 28.2 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | 73.2 | 145.1 | 113.1 | -42.6 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1322 | T | 29.5 | Very low | 28.3 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | trans | 115 | 116.4 | 152.2 | -39.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 1323 | T | 26.6 | Very low | 28.2 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | trans | -56.2 | 148 | 171.8 | 48.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1324 | H | 30.3 | Very low | 28 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 82% | 0.819 | 72% | 0.721 | S | S | * | * | -150.7 | 152.3 | 126.1 | -117.7 | -73.9 | 0 | 0 | 0 | 114.6 | |||||
| 1325 | T | 27.6 | Very low | 28 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 68% | 0.681 | 72% | 0.717 | S | S | * | * | trans | -62.7 | 140.2 | 177.4 | 49 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1326 | T | 29.5 | Very low | 27.9 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | -157.5 | 135.7 | 128.8 | 20.7 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 1327 | H | 29 | Very low | 28 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 75% | 0.75 | 70% | 0.698 | S | S | * | * | 48.2 | 133.2 | 93.4 | -72.6 | -105.3 | 0 | 0 | 0 | 113.5 | |||||
| 1328 | T | 29.6 | Very low | 28 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | cis | -158 | 165 | 30 | -20.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1329 | T | 28.1 | Very low | 28.1 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 69% | 0.687 | 69% | 0.694 | S | S | * | * | trans | 18.8 | 146.6 | 143.9 | 46.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1330 | E | 28.6 | Very low | 28 | Very low | 132 Ų | 132 | 122.7 Ų | 122.7 | 62% | 0.617 | 69% | 0.686 | S | S | * | * | cis | -162 | 161.1 | 28.6 | -133.8 | 172.1 | 157.6 | 0 | 0 | 115.6 | ||||
| 1331 | R | 26.2 | Very low | 27.9 | Very low | 208 Ų | 208 | 127.4 Ų | 127.4 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | trans | 20 | 155 | 136.9 | -74.5 | 175.9 | -175.2 | 148.8 | -9.4 | 121.2 | ||||
| 1332 | S | 26.8 | Very low | 27.9 | Very low | 97 Ų | 97 | 126.4 Ų | 126.4 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | cis | -177.7 | 137.7 | -7.3 | 52.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1333 | A | 26.4 | Very low | 27.7 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | 72.9 | 162.1 | 95.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1334 | I | 26.4 | Very low | 27.8 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 63% | 0.631 | 69% | 0.685 | S | S | * | * | cis | -158.6 | -161.2 | -0.5 | -136.9 | 168.1 | 0 | 0 | 0 | 112.2 | N1279 H1280 | N1279-I1334 PolarHBondContact ND2-O 3.42Å; N1279-I1334 VanDerWaalsContact ND2-O 3.08Å; H1280-I1334 PolarHBondContact CE1-O 3.26Å; H1280-I1334 PolarHBondContact NE2-O 2.97Å | ||
| 1335 | L | 26.8 | Very low | 27.6 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 62% | 0.623 | 68% | 0.683 | S | S | * | * | trans | -24.7 | 170.5 | 169.7 | -90.2 | 59.2 | 0 | 0 | 0 | 118.8 | N1279 H1280 | N1279-L1335 PolarHBondContact ND2-O 2.96Å; H1280-L1335 WeakPolarHBondContact NE2-CA 3.2Å; H1280-L1335 PolarHBondContact NE2-N 3.46Å | ||
| 1336 | S | 27.9 | Very low | 27.6 | Very low | 62 Ų | 62 | 129.2 Ų | 129.2 | 43% | 0.434 | 69% | 0.686 | S | S | . | * | cis | -159.1 | -161.7 | -11.1 | 50.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1337 | D | 29.8 | Very low | 27.4 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | cis | -144.7 | 141.9 | -5.6 | -95.7 | -49 | 0 | 0 | 0 | 105.7 | ||||
| 1338 | T | 29.9 | Very low | 27.2 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 64% | 0.638 | 69% | 0.685 | S | S | * | * | 64.4 | 165.1 | 74.4 | 83.3 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 1339 | N | 29.3 | Very low | 27.3 | Very low | 131 Ų | 131 | 126 Ų | 126 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | trans | 88 | 135.5 | 165.7 | -51.2 | -21.1 | 0 | 0 | 0 | 116.9 | ||||
| 1340 | L | 26.4 | Very low | 27 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 63% | 0.628 | 69% | 0.687 | S | S | * | * | cis | -165.7 | 138.3 | -16.1 | -146.7 | 91.1 | 0 | 0 | 0 | 110.2 | ||||
| 1341 | Y | 25.6 | Very low | 26.8 | Very low | 209 Ų | 209 | 126 Ų | 126 | 82% | 0.82 | 69% | 0.691 | S | S | * | * | trans | 58.5 | 176.1 | 148.4 | -75.2 | -157.4 | 0 | 0 | 0 | 116.8 | ||||
| 1342 | T | 25.8 | Very low | 26.8 | Very low | 105 Ų | 105 | 121.2 Ų | 121.2 | 64% | 0.644 | 69% | 0.69 | S | S | * | * | cis | -154.9 | 155 | -1.3 | -134 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1343 | I | 26.1 | Very low | 26.9 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 69% | 0.692 | 70% | 0.699 | S | S | * | * | trans | 22.5 | 120.9 | 151.8 | -47.4 | 164.2 | 0 | 0 | 0 | 120.7 | ||||
| 1344 | H | 28.3 | Very low | 26.9 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | trans | 171.3 | 130.4 | 132 | -106 | -90.5 | 0 | 0 | 0 | 106.9 | ||||
| 1345 | H | 26.6 | Very low | 26.8 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 78% | 0.782 | 71% | 0.709 | S | S | * | * | cis | 70.2 | 126.7 | 25.9 | -109.9 | -80.5 | 0 | 0 | 0 | 115.5 | ||||
| 1346 | T | 27 | Very low | 26.7 | Very low | 120 Ų | 120 | 130 Ų | 130 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | 69.7 | 158.4 | -171.5 | 75.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1347 | S | 25.1 | Very low | 26.6 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | cis | -174 | 143.7 | -49.9 | 50.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1348 | V | 25.4 | Very low | 26.3 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | 26.8 | 135.4 | 136.9 | -173.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1349 | P | 30.7 | Very low | 26.2 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 63% | 0.63 | 72% | 0.724 | S | S | * | * | cis | -138.9 | -159.9 | -20.5 | 41.4 | -21.4 | 0 | 0 | 0 | 113.6 | ||||
| 1350 | N | 23.2 | Very low | 26 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | 71.6 | 151.7 | 149.8 | -74.4 | -8.5 | 0 | 0 | 0 | 122.8 | ||||
| 1351 | S | 24.1 | Very low | 26 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | trans | 60.1 | 111 | 149.5 | 55.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1352 | S | 26.5 | Very low | 26.1 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | 50 | 104.4 | 114.9 | -46.8 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1353 | Y | 27.1 | Very low | 26.3 | Very low | 224 Ų | 224 | 129.5 Ų | 129.5 | 88% | 0.878 | 73% | 0.729 | S | S | * | * | trans | -168 | 141 | 146.5 | -96.8 | -81.9 | 0 | 0 | 0 | 107.5 | ||||
| 1354 | L | 26.4 | Very low | 26.4 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 67% | 0.665 | 73% | 0.729 | S | S | * | * | cis | -155.9 | 134.8 | -25.8 | -133.9 | -171.3 | 0 | 0 | 0 | 108.2 | ||||
| 1355 | M | 25.9 | Very low | 26.5 | Very low | 181 Ų | 181 | 127.7 Ų | 127.7 | 89% | 0.892 | 73% | 0.726 | S | S | * | * | trans | -152.3 | 127.4 | 132.6 | -149.5 | 65 | -176.6 | 0 | 0 | 108.7 | ||||
| 1356 | S | 24.7 | Very low | 26.5 | Very low | 79 Ų | 79 | 125.7 Ų | 125.7 | 55% | 0.552 | 72% | 0.721 | S | S | * | * | trans | -73.2 | 163.2 | -174.7 | 50.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1357 | L | 24.2 | Very low | 26.5 | Very low | 142 Ų | 142 | 127 Ų | 127 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | cis | -147.8 | 145.1 | 24.6 | -112.9 | 111.8 | 0 | 0 | 0 | 111.2 | ||||
| 1358 | T | 25.2 | Very low | 26.5 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | trans | 39.1 | 143.8 | 136.8 | 63.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1359 | T | 26 | Very low | 26.3 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 69% | 0.693 | 72% | 0.719 | S | S | * | * | cis | -172.1 | 156.8 | 4.8 | 17.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1360 | T | 26.3 | Very low | 26 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | trans | 43.2 | 142.6 | 146.2 | 59.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1361 | S | 27 | Very low | 25.9 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | cis | -173.6 | 146.8 | -5.2 | 46.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1362 | N | 26.9 | Very low | 25.9 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | 34.2 | 123.7 | 129.4 | -134.9 | 13.5 | 0 | 0 | 0 | 117.9 | |||||
| 1363 | T | 29.9 | Very low | 25.8 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 68% | 0.681 | 72% | 0.715 | S | S | * | * | -167.4 | 158.3 | 51.6 | 45.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1364 | N | 28.6 | Very low | 25.7 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | trans | 5 | 136.9 | 149.3 | -49.7 | -13.6 | 0 | 0 | 0 | 119.2 | ||||
| 1365 | N | 30.2 | Very low | 25.6 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | -168.4 | 148.9 | 64.4 | -100.8 | -45.9 | 0 | 0 | 0 | 114.9 | |||||
| 1366 | N | 27 | Very low | 25.5 | Very low | 128 Ų | 128 | 124.6 Ų | 124.6 | 68% | 0.684 | 70% | 0.704 | S | S | * | * | trans | 18.2 | 116.8 | 140.4 | -50.5 | -18.5 | 0 | 0 | 0 | 118.1 | ||||
| 1367 | N | 27 | Very low | 25.7 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | 178.7 | 160.2 | 73 | -95.8 | -39.2 | 0 | 0 | 0 | 114.2 | |||||
| 1368 | S | 24.8 | Very low | 25.7 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | trans | 56.8 | 106.2 | 150.8 | 58.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1369 | C | 21.8 | Very low | 25.7 | Very low | 101 Ų | 101 | 134 Ų | 134 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | trans | 71.9 | 118.5 | 130.2 | -62.5 | 0 | 0 | 0 | 0 | 123.1 | V36 | V36-C1369 HydrophobicContact CG1-CB 4.28Š| ||
| 1370 | Q | 22.6 | Very low | 25.6 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | trans | 54.7 | 106.5 | 146.1 | -64.1 | -173.2 | 0.9 | 0 | 0 | 119.8 | V36 | V36-Q1370 HydrophobicContact CG2-CB 3.78Š| ||
| 1371 | L | 22.5 | Very low | 25.6 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | -164.2 | 124 | 113.1 | -132.2 | 77.2 | 0 | 0 | 0 | 114.1 | V36 | V36-L1371 HydrophobicContact CG2-CD1 4.43Š| |||
| 1372 | S | 22.8 | Very low | 25.5 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | trans | 53.6 | -169.2 | 147.1 | 70.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1373 | V | 25.1 | Very low | 25.5 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 70% | 0.697 | 71% | 0.712 | S | S | * | * | trans | 74.3 | 98.4 | 174.8 | -165.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1374 | N | 24.2 | Very low | 25.4 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | trans | 17.2 | 123 | 135.2 | -47.4 | -17.6 | 0 | 0 | 0 | 118.8 | ||||
| 1375 | N | 25.8 | Very low | 25.3 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | 172.3 | 149 | 98.1 | -94.1 | -57.3 | 0 | 0 | 0 | 116 | |||||
| 1376 | R | 23.5 | Very low | 25.1 | Very low | 198 Ų | 198 | 138.7 Ų | 138.7 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | trans | 63.5 | 95.4 | 138 | -166.6 | -169 | -51.5 | -152 | 3.4 | 121 | ||||
| 1377 | W | 27.7 | Very low | 25 | Very low | 252 Ų | 252 | 141.8 Ų | 141.8 | 96% | 0.955 | 72% | 0.721 | S | S | * | * | trans | -158.3 | 128.3 | 133 | -64.8 | 103.6 | 0 | 0 | 0 | 105.8 | ||||
| 1378 | N | 23.9 | Very low | 24.8 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | cis | 73.4 | 73.2 | 2.2 | -115.9 | 53.5 | 0 | 0 | 0 | 117 | ||||
| 1379 | L | 25.7 | Very low | 24.9 | Very low | 144 Ų | 144 | 145 Ų | 145 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | -173.8 | 161.8 | 106.8 | -117.4 | 69.5 | 0 | 0 | 0 | 111.1 | |||||
| 1380 | Q | 25.4 | Very low | 25.2 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | trans | 51.8 | 134.4 | 162.7 | -98.5 | 52.5 | 7.9 | 0 | 0 | 120.2 | ||||
| 1381 | S | 25.4 | Very low | 25.4 | Very low | 83 Ų | 83 | 145.4 Ų | 145.4 | 58% | 0.58 | 73% | 0.727 | S | S | * | * | cis | -164.4 | 173.6 | -19.1 | 45.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1382 | D | 25.3 | Very low | 25.5 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | trans | 87.3 | 96.4 | 153 | -51.3 | -46.4 | 0 | 0 | 0 | 121.7 | ||||
| 1383 | I | 25.9 | Very low | 25.7 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | trans | 66.7 | 81 | 135.8 | -44.6 | 165.2 | 0 | 0 | 0 | 118 | ||||
| 1384 | W | 27.7 | Very low | 25.9 | Very low | 196 Ų | 196 | 147 Ų | 147 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | trans | -139.3 | 78.5 | 136.5 | -91.9 | 79.9 | 0 | 0 | 0 | 108.7 | F1220 T1386 | F1220-W1384 HydrophobicContact CD2-CZ2 4.43Å; F1220-W1384 AromaticContact CE1-CH2 3.8Å; F1220-W1384 HydrophobicContact CE1-CH2 3.8Å; F1220-W1384 HydrophobicContact CE1-CZ2 4.08Å; F1220-W1384 HydrophobicContact CE1-CZ3 4.13Å; F1220-W1384 AromaticContact CE2-CD2 3.8Å; F1220-W1384 HydrophobicContact CE2-CD2 3.8Å; F1220-W1384 AromaticContact CE2-CE2 3.42Å; F1220-W1384 VanDerWaalsContact CE2-CE2 3.42Å; F1220-W1384 HydrophobicContact CE2-CE3 4.24Å; F1220-W1384 HydrophobicContact CE2-CG 4.36Å; F1220-W1384 HydrophobicContact CE2-CH2 4.03Å; F1220-W1384 AromaticContact CE2-CZ2 3.55Å; F1220-W1384 HydrophobicContact CE2-CZ2 3.55Å; F1220-W1384 HydrophobicContact CE2-CZ3 4.35Å; F1220-W1384 AromaticContact CE2-NE1 3.76Å; F1220-W1384 AromaticContact CZ-CD2 3.72Å; F1220-W1384 HydrophobicContact CZ-CD2 3.72Å; F1220-W1384 AromaticContact CZ-CE2 3.54Å; F1220-W1384 AromaticContact CZ-CE3 3.66Å; F1220-W1384 HydrophobicContact CZ-CE3 3.66Å; F1220-W1384 AromaticContact CZ-CH2 3.31Å; F1220-W1384 HydrophobicContact CZ-CH2 3.31Å; F1220-W1384 AromaticContact CZ-CZ2 3.35Å; F1220-W1384 HydrophobicContact CZ-CZ2 3.35Å; F1220-W1384 AromaticContact CZ-CZ3 3.48Å; F1220-W1384 HydrophobicContact CZ-CZ3 3.48Å; F1220-W1384 VanDerWaalsContact CZ-CZ3 3.48Å; W1384-T1386 PolarHBondContact O-N 3.15Å | ||
| 1385 | N | 27 | Very low | 26 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | trans | -76 | 114.4 | -178.3 | -87.9 | -9.1 | 0 | 0 | 0 | 112.3 | R1387 | N1385-R1387 PolarHBondContact O-N 2.82Š| ||
| 1386 | T | 25.4 | Very low | 26.1 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | trans | 25.9 | 80.8 | 135.3 | 41.2 | 0 | 0 | 0 | 0 | 117.9 | W1384 L1388 | W1384-T1386 PolarHBondContact O-N 3.15Å; T1386-L1388 VanDerWaalsContact C-N 3.25Å; T1386-L1388 PolarHBondContact O-N 3.37Å; T1386-L1388 VanDerWaalsContact O-N 3.12Å | ||
| 1387 | R | 25.6 | Very low | 26.3 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | trans | -79.2 | 78.8 | 150.6 | -83.9 | -164.2 | 174.9 | -164.2 | 0.7 | 110 | N1385 F1389 | N1385-R1387 PolarHBondContact O-N 2.82Å; R1387-F1389 VanDerWaalsContact C-N 3.31Å; R1387-F1389 PolarHBondContact O-N 2.94Å; R1387-F1389 VanDerWaalsContact O-N 3.12Å | ||
| 1388 | L | 23.8 | Very low | 26.3 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 78% | 0.78 | 70% | 0.704 | S | S | * | * | trans | -79.3 | 83.9 | 167.3 | -166 | 160.2 | 0 | 0 | 0 | 107.9 | T1386 | T1386-L1388 VanDerWaalsContact C-N 3.25Å; T1386-L1388 PolarHBondContact O-N 3.37Å; T1386-L1388 VanDerWaalsContact O-N 3.12Å | ||
| 1389 | F | 27 | Very low | 26.5 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 73% | 0.732 | 71% | 0.708 | S | S | * | * | trans | -119.4 | 116.1 | 175.2 | -96.5 | -86.1 | 0 | 0 | 0 | 111.5 | R1387 | R1387-F1389 VanDerWaalsContact C-N 3.31Å; R1387-F1389 PolarHBondContact O-N 2.94Å; R1387-F1389 VanDerWaalsContact O-N 3.12Å | ||
| 1390 | I | 26.4 | Very low | 26.5 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 66% | 0.656 | 70% | 0.697 | S | S | * | * | trans | -58.8 | 142 | 154.2 | -62.2 | 167.2 | 0 | 0 | 0 | 106.8 | E1392 | I1390-E1392 PolarHBondContact O-N 3.23Š| ||
| 1391 | P | 26.5 | Very low | 26.7 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | trans | -71.1 | 81.5 | 171.1 | 30.5 | -35 | 0 | 0 | 0 | 109.9 | ||||
| 1392 | E | 26.5 | Very low | 26.7 | Very low | 148 Ų | 148 | 133 Ų | 133 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | trans | -64.9 | 132.1 | 164.4 | -70.7 | -158.5 | 148.3 | 0 | 0 | 109.4 | I1390 | I1390-E1392 PolarHBondContact O-N 3.23Š| ||
| 1393 | P | 27.1 | Very low | 27.2 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 71% | 0.708 | 71% | 0.708 | S | S | * | * | trans | -77.1 | 132.4 | -178 | 30 | -33.7 | 0 | 0 | 0 | 112 | S1395 | P1393-S1395 PolarHBondContact O-N 3.01Š| ||
| 1394 | L | 27.6 | Very low | 27.5 | Very low | 125 Ų | 125 | 131 Ų | 131 | 65% | 0.654 | 71% | 0.709 | S | S | * | * | trans | 58.5 | 54.5 | 148.5 | -67.3 | 157.7 | 0 | 0 | 0 | 117.3 | T1398 | L1394-T1398 PolarHBondContact O-OG1 3.34Š| ||
| 1395 | S | 27.5 | Very low | 27.6 | Very low | 89 Ų | 89 | 130 Ų | 130 | 62% | 0.622 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -97.9 | -7.4 | 172.6 | 56.1 | 0 | 0 | 0 | 0 | 115.9 | P1393 | P1393-S1395 PolarHBondContact O-N 3.01Š|
| 1396 | V | 28.1 | Very low | 28 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -117.8 | 25.8 | 178.6 | -156.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1397 | M | 27.9 | Very low | 28.6 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 69% | 0.69 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -133.4 | 20.8 | 162 | -150.2 | 173.3 | -170 | 0 | 0 | 111.7 | ||
| 1398 | T | 27.5 | Very low | 29.2 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 61% | 0.607 | 71% | 0.714 | S | S | * | * | trans | -137.2 | 68.5 | -168.2 | -42.5 | 0 | 0 | 0 | 0 | 111.1 | L1394 | L1394-T1398 PolarHBondContact O-OG1 3.34Š| ||
| 1399 | T | 26.9 | Very low | 29.8 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | trans | -137.6 | 130.7 | 166.9 | -47 | 0 | 0 | 0 | 0 | 108 | ||||
| 1400 | V | 26.6 | Very low | 30.4 | Very low | 87 Ų | 87 | 122.9 Ų | 122.9 | 53% | 0.527 | 71% | 0.714 | S | S | . | * | S | Bend | trans | 65.9 | 76 | -167.6 | -164.1 | 0 | 0 | 0 | 0 | 113.4 | F496 | F496-V1400 HydrophobicContact CD1-CG2 4.46Å; F496-V1400 HydrophobicContact CD2-CG1 4Å; F496-V1400 HydrophobicContact CD2-CG2 4.39Å; F496-V1400 HydrophobicContact CG-CG1 4.41Å; F496-V1400 HydrophobicContact CG-CG2 4.23Å |
| 1401 | I | 28.2 | Very low | 31.1 | Very low | 141 Ų | 141 | 122.4 Ų | 122.4 | 72% | 0.723 | 72% | 0.719 | S | S | * | * | -169.9 | 78.9 | 117.8 | -83 | 149.2 | 0 | 0 | 0 | 106.7 | |||||
| 1402 | T | 27.1 | Very low | 31.8 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 80% | 0.798 | 72% | 0.718 | S | S | * | * | trans | -114.3 | 127.6 | 141 | 36.2 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1403 | P | 33.7 | Very low | 32.3 | Very low | 105 Ų | 105 | 121 Ų | 121 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | trans | -63.6 | 140.2 | 169.6 | 28.5 | -32.8 | 0 | 0 | 0 | 107.8 | L1405 | P1403-L1405 PolarHBondContact O-N 3.17Š| ||
| 1404 | P | 33.5 | Very low | 32.5 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | trans | -58.5 | 128.6 | 163.1 | 26.7 | -32.4 | 0 | 0 | 0 | 107.4 | L1406 | P1404-L1406 HydrophobicContact CB-CD1 4.11Å; P1404-L1406 HydrophobicContact CG-CD1 3.84Å; P1404-L1406 PolarHBondContact O-N 3.29Å | ||
| 1405 | L | 29.2 | Very low | 32.8 | Very low | 173 Ų | 173 | 122.4 Ų | 122.4 | 91% | 0.906 | 74% | 0.735 | S | S | * | * | trans | -67.7 | 83.8 | 168.9 | -80.5 | 165.2 | 0 | 0 | 0 | 107.9 | P1403 | P1403-L1405 PolarHBondContact O-N 3.17Š| ||
| 1406 | L | 35.3 | Very low | 33 | Very low | 132 Ų | 132 | 123.6 Ų | 123.6 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 136.6 | 169.2 | -103.8 | 71.5 | 0 | 0 | 0 | 108.4 | P1404 | P1404-L1406 HydrophobicContact CB-CD1 4.11Å; P1404-L1406 HydrophobicContact CG-CD1 3.84Å; P1404-L1406 PolarHBondContact O-N 3.29Å |
| 1407 | P | 38.3 | Very low | 33.1 | Very low | 100 Ų | 100 | 123.1 Ų | 123.1 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 148.4 | 173.7 | 27.8 | -34.4 | 0 | 0 | 0 | 110 | L1409 | P1407-L1409 PolarHBondContact O-N 3.37Š|
| 1408 | P | 37.6 | Very low | 33.3 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 119.7 | -177.3 | 26.8 | -34.1 | 0 | 0 | 0 | 110.6 | ||
| 1409 | L | 37.4 | Very low | 33.5 | Very low | 148 Ų | 148 | 122.9 Ų | 122.9 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 150.6 | 164.6 | -91.2 | 79.3 | 0 | 0 | 0 | 110.3 | P1407 | P1407-L1409 PolarHBondContact O-N 3.37Š|
| 1410 | P | 38.6 | Very low | 33.6 | Very low | 113 Ų | 113 | 123 Ų | 123 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 153.6 | -173 | -17.9 | 32.7 | 0 | 0 | 0 | 113.4 | ||
| 1411 | P | 41.3 | Very low | 33.7 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 138.3 | 176.5 | 30.2 | -34.5 | 0 | 0 | 0 | 111.8 | ||
| 1412 | P | 42.3 | Very low | 33.5 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 156.7 | 163.5 | 31.3 | -33.7 | 0 | 0 | 0 | 110.9 | ||
| 1413 | P | 36.1 | Very low | 33.7 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 154.9 | -169.2 | -19.7 | 33.8 | 0 | 0 | 0 | 114.9 | ||
| 1414 | T | 30.9 | Very low | 33.5 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 137.7 | 170.5 | 42.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1415 | T | 34.1 | Very low | 33.2 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -158.5 | 110.7 | 153.1 | -1.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1416 | T | 32.7 | Very low | 33.6 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 18.3 | 106.2 | 143.1 | 51.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1417 | T | 29.9 | Very low | 33.2 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | 56.9 | 159.7 | 121.9 | 55.7 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1418 | T | 31.4 | Very low | 32.8 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | trans | 80.6 | 96.5 | 153.2 | 29.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1419 | T | 32.1 | Very low | 32.3 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | 64.8 | 100.4 | 127.2 | 53.9 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1420 | T | 28.2 | Very low | 32 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | 45.9 | 113.3 | 125.4 | 59.2 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1421 | K | 29.3 | Very low | 31.4 | Very low | 211 Ų | 211 | 129.8 Ų | 129.8 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | -162.2 | 154.1 | 117 | -109.2 | 163.3 | -174.6 | 175.5 | 0 | 112.3 | |||||
| 1422 | S | 25.1 | Very low | 30.8 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -93.8 | 140.2 | -176.8 | 45.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1423 | I | 31.4 | Very low | 30.1 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 86% | 0.862 | 76% | 0.762 | S | S | * | * | trans | -174.7 | 149.6 | 163.7 | -94.5 | 141.5 | 0 | 0 | 0 | 106.5 | ||||
| 1424 | S | 28.4 | Very low | 29.8 | Very low | 82 Ų | 82 | 138 Ų | 138 | 57% | 0.573 | 76% | 0.758 | S | S | * | * | -175.8 | 120.1 | -62 | 47.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1425 | Y | 28.3 | Very low | 29.7 | Very low | 213 Ų | 213 | 139.7 Ų | 139.7 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | trans | 65.2 | 172.6 | 172.1 | -58.8 | -66.5 | 0 | 0 | 0 | 115.4 | ||||
| 1426 | P | 36.4 | Very low | 29.5 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | cis | -137.2 | 150.2 | 6.2 | 41.4 | -23.5 | 0 | 0 | 0 | 118.8 | ||||
| 1427 | F | 27.6 | Very low | 29.3 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | trans | 62.2 | 167.6 | 138.9 | -81.7 | -103.3 | 0 | 0 | 0 | 119.5 | ||||
| 1428 | P | 30.1 | Very low | 29.4 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | cis | -121.2 | 155.9 | 12 | 41 | -27.2 | 0 | 0 | 0 | 118.4 | ||||
| 1429 | T | 26.6 | Very low | 29.4 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | trans | -103.4 | 124.3 | 166.3 | 44.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1430 | T | 30.9 | Very low | 29.4 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -158.2 | 119.6 | 155.5 | -6.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1431 | S | 25.6 | Very low | 29.6 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | cis | 79 | 75.9 | 26.8 | 92 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1432 | Q | 30 | Very low | 29.8 | Very low | 172 Ų | 172 | 137.1 Ų | 137.1 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -165.3 | 130.7 | 138.1 | -98.4 | 146.5 | 24.8 | 0 | 0 | 107.7 | ||||
| 1433 | Y | 26 | Very low | 30 | Very low | 219 Ų | 219 | 142.2 Ų | 142.2 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | 75.7 | 140.6 | 56.7 | -95.5 | -85.8 | 0 | 0 | 0 | 114.8 | |||||
| 1434 | I | 30.9 | Very low | 29.9 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | trans | 110 | 104.8 | 161.3 | -61.9 | 154.6 | 0 | 0 | 0 | 117.7 | ||||
| 1435 | H | 28.7 | Very low | 30 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 79% | 0.787 | 74% | 0.744 | S | S | * | * | trans | 41.7 | 126.1 | 141.9 | -70.1 | -108.5 | 0 | 0 | 0 | 122.9 | ||||
| 1436 | S | 30.3 | Very low | 30 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | 151.4 | 165.4 | 111.1 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1437 | S | 27.7 | Very low | 29.7 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | -173.2 | 103.3 | -73.4 | 47.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1438 | S | 32.9 | Very low | 29.9 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | trans | -161.1 | 103.6 | 166.1 | 44.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1439 | S | 31.6 | Very low | 29.8 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | 52.5 | 118.6 | 95 | 67.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1440 | F | 30.4 | Very low | 30 | Very low | 191 Ų | 191 | 139.6 Ų | 139.6 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | cis | -143.6 | 124.4 | 49.1 | -155.8 | -103.1 | 0 | 0 | 0 | 113.7 | ||||
| 1441 | T | 33.2 | Very low | 30.1 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 59% | 0.589 | 75% | 0.748 | S | S | * | * | trans | 3.3 | 152.7 | 138.2 | 31.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 1442 | Q | 32.9 | Very low | 30.4 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | cis | -156.4 | 138.8 | 24.3 | -139.2 | 178.5 | 14.7 | 0 | 0 | 114.9 | ||||
| 1443 | R | 29.3 | Very low | 30.3 | Very low | 217 Ų | 217 | 144.1 Ų | 144.1 | 82% | 0.819 | 75% | 0.751 | S | S | * | * | trans | 38.5 | 157.4 | 139.7 | -77.2 | -170.7 | 168.3 | 164.8 | -3.6 | 124.3 | ||||
| 1444 | S | 29.4 | Very low | 30.6 | Very low | 74 Ų | 74 | 143.3 Ų | 143.3 | 52% | 0.517 | 75% | 0.751 | S | S | . | * | cis | 172.8 | 155.3 | -29.9 | 53.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1445 | H | 31.4 | Very low | 30.7 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | 71.8 | 132.9 | 165.5 | -56.8 | -65 | 0 | 0 | 0 | 116.9 | ||||
| 1446 | V | 29.1 | Very low | 30.9 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | cis | 89.5 | 141.3 | 26.1 | -177.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1447 | M | 29.9 | Very low | 31.1 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 85% | 0.852 | 75% | 0.749 | S | S | * | * | trans | 86.6 | 143.3 | -177.1 | -65.8 | -158.5 | -177.5 | 0 | 0 | 116.5 | ||||
| 1448 | N | 30.4 | Very low | 31.2 | Very low | 131 Ų | 131 | 148.9 Ų | 148.9 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | -156 | 158.6 | -26.3 | -146.2 | 5.3 | 0 | 0 | 0 | 113.1 | ||||
| 1449 | T | 29.4 | Very low | 31.3 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 60% | 0.595 | 75% | 0.754 | S | S | * | * | trans | -8.3 | 150.2 | 160.7 | 56.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1450 | N | 29.7 | Very low | 31.3 | Very low | 142 Ų | 142 | 151.4 Ų | 151.4 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 78 | 104 | 142.1 | -64.7 | -19.4 | 0 | 0 | 0 | 121.4 | ||||
| 1451 | K | 32.8 | Very low | 31.4 | Very low | 201 Ų | 201 | 148.2 Ų | 148.2 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | 169.8 | 154.9 | 120.8 | -92.5 | 161.8 | 180 | 176.9 | 0 | 110.6 | |||||
| 1452 | L | 31.5 | Very low | 31.3 | Very low | 142 Ų | 142 | 152.9 Ų | 152.9 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | cis | -166.7 | 132.1 | -34 | -156.7 | 141.7 | 0 | 0 | 0 | 107.5 | ||||
| 1453 | N | 28.9 | Very low | 31.3 | Very low | 144 Ų | 144 | 157.4 Ų | 157.4 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | 0.7 | 127.6 | 172.3 | -50.2 | -19.8 | 0 | 0 | 0 | 120.1 | ||||
| 1454 | K | 32.6 | Very low | 31.4 | Very low | 201 Ų | 201 | 154.4 Ų | 154.4 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | -160.1 | 126.3 | 127.5 | -119 | 172.8 | -173.7 | 178.2 | 0 | 114 | |||||
| 1455 | S | 32.8 | Very low | 31.5 | Very low | 112 Ų | 112 | 158.6 Ų | 158.6 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | 60.1 | 158.4 | 164.9 | -64.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 1456 | R | 32.6 | Very low | 31.5 | Very low | 211 Ų | 211 | 158.3 Ų | 158.3 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | cis | -175.4 | 149.8 | -45.8 | -126.3 | -172.9 | 160.6 | 118 | -1.7 | 108.2 | ||||
| 1457 | D | 33.7 | Very low | 31.6 | Very low | 127 Ų | 127 | 160.2 Ų | 160.2 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | trans | 71.9 | 161.8 | 155.8 | -47.8 | -28.7 | 0 | 0 | 0 | 119.1 | ||||
| 1458 | F | 31.3 | Very low | 31.7 | Very low | 202 Ų | 202 | 159.4 Ų | 159.4 | 89% | 0.886 | 80% | 0.797 | S | S | * | * | trans | 69.1 | 65.2 | -175.2 | -77.1 | -82.4 | 0 | 0 | 0 | 119.7 | ||||
| 1459 | T | 34.7 | Very low | 31.8 | Very low | 117 Ų | 117 | 161.3 Ų | 161.3 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | trans | -53.6 | 165.4 | 137.7 | 48.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1460 | L | 32.4 | Very low | 32 | Very low | 151 Ų | 151 | 165.9 Ų | 165.9 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | trans | 73.7 | 141.9 | 168.2 | -95.8 | 74.9 | 0 | 0 | 0 | 115.3 | ||||
| 1461 | T | 32.4 | Very low | 32.1 | Very low | 124 Ų | 124 | 167.7 Ų | 167.7 | 76% | 0.761 | 82% | 0.823 | S | S | * | * | cis | -144.8 | 167.6 | 4.7 | -33.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1462 | K | 29.7 | Very low | 32.1 | Very low | 195 Ų | 195 | 164.9 Ų | 164.9 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -57.3 | 145 | 165.5 | -65.2 | 178.1 | 175.9 | -179.5 | 0 | 111.7 | ||||
| 1463 | H | 32.5 | Very low | 32.1 | Very low | 253 Ų | 253 | 167 Ų | 167 | 100% | 1.171 | 83% | 0.825 | S | S | * | * | -143.4 | 0 | 122.9 | -148.7 | -48.2 | 0 | 0 | 0 | 110.2 |
Retrieved 1,463 of 1,463 residues in 503.9 ms
(Link to these results)