| 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 | 23.6 | Very low | 37.9 | Very low | 194 Ų | 194 | 82.5 Ų | 82.5 | 96% | 0.956 | 44% | 0.436 | S | S | * | . | 0 | 81.2 | 0 | -73.5 | -160.8 | -139 | 0 | 0 | 106.2 | |||||
| 2 | E | 32.5 | Very low | 37.7 | Very low | 176 Ų | 176 | 82.4 Ų | 82.4 | 82% | 0.822 | 44% | 0.436 | S | S | * | . | trans | -75.5 | 128.8 | 177.9 | -68.7 | 179.5 | 163.6 | 0 | 0 | 107.3 | ||||
| 3 | G | 36 | Very low | 37.9 | Very low | 27 Ų | 27 | 88.3 Ų | 88.3 | 28% | 0.278 | 46% | 0.459 | S | S | . | . | trans | -59.7 | 163 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | D5 | G3-D5 PolarHBondContact O-N 3.28Š| ||
| 4 | I | 38 | Very low | 38.1 | Very low | 31 Ų | 31 | 84.9 Ų | 84.9 | 16% | 0.159 | 44% | 0.44 | C | S | . | . | trans | -61.7 | 110.6 | 178.1 | -48.8 | 163.4 | 0 | 0 | 0 | 107.1 | L6 D52 R54 M73 | I4-L6 HydrophobicContact CB-CG 4.45Å; I4-L6 HydrophobicContact CG2-CD1 4.4Å; I4-L6 HydrophobicContact CG2-CD2 4.38Å; I4-L6 HydrophobicContact CG2-CG 3.7Å; I4-L6 PolarHBondContact O-N 3.38Å; I4-D52 HydrophobicContact CG1-CB 4.5Å; I4-R54 HydrophobicContact CD1-CG 3.64Å; I4-M73 HydrophobicContact CD1-CE 3.48Å; I4-M73 VanDerWaalsContact CD1-CE 3.48Å; I4-M73 HydrophobicContact CG2-CE 4.08Å | ||
| 5 | D | 39.9 | Very low | 38.6 | Very low | 126 Ų | 126 | 82.3 Ų | 82.3 | 67% | 0.674 | 44% | 0.443 | S | S | * | . | trans | -74 | 69.3 | 169.6 | -145.8 | 6.9 | 0 | 0 | 0 | 106.6 | G3 D7 R466 | G3-D5 PolarHBondContact O-N 3.28Å; D5-D7 PolarHBondContact O-N 3.35Å; D5-R466 IonicContact OD2-NH2 3.63Å | ||
| 6 | L | 42 | Very low | 39.8 | Very low | 34 Ų | 34 | 84.5 Ų | 84.5 | 18% | 0.178 | 46% | 0.455 | C | S | . | . | trans | -66.2 | 97.4 | 166.4 | -83.8 | 166.6 | 0 | 0 | 0 | 104.7 | I4 L8 M73 L622 | I4-L6 HydrophobicContact CB-CG 4.45Å; I4-L6 HydrophobicContact CG2-CD1 4.4Å; I4-L6 HydrophobicContact CG2-CD2 4.38Å; I4-L6 HydrophobicContact CG2-CG 3.7Å; I4-L6 PolarHBondContact O-N 3.38Å; L6-L8 HydrophobicContact CB-CD1 3.81Å; L6-L8 HydrophobicContact CB-CG 3.99Å; L6-L8 HydrophobicContact CD1-CD1 4.12Å; L6-L8 PolarHBondContact O-N 2.74Å; L6-M73 HydrophobicContact CD1-CB 3.94Å; L6-M73 HydrophobicContact CD1-CE 3.75Å; L6-M73 HydrophobicContact CD1-SD 4.28Å; L6-M73 HydrophobicContact CD2-CE 4.16Å; L6-M73 HydrophobicContact CG-CE 4.17Å; L6-L622 HydrophobicContact CD2-CD2 3.82Å; L6-L622 HydrophobicContact CD2-CG 4.5Å | ||
| 7 | D | 41.8 | Very low | 41.4 | Very low | 88 Ų | 88 | 81.9 Ų | 81.9 | 47% | 0.471 | 44% | 0.441 | S | S | . | . | trans | -71.3 | 55.4 | 171.7 | -149.6 | 0.3 | 0 | 0 | 0 | 109.5 | D5 N9 T10 | D5-D7 PolarHBondContact O-N 3.35Å; D7-N9 PolarHBondContact O-N 3.22Å; D7-T10 PolarHBondContact O-N 3.12Å; D7-T10 PolarHBondContact O-OG1 2.89Å | ||
| 8 | L | 38.9 | Very low | 43.4 | Very low | 35 Ų | 35 | 77.4 Ų | 77.4 | 18% | 0.183 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -11.6 | 172.8 | -84.9 | 157.9 | 0 | 0 | 0 | 111.1 | L6 T10 F11 L12 R732 | L6-L8 HydrophobicContact CB-CD1 3.81Å; L6-L8 HydrophobicContact CB-CG 3.99Å; L6-L8 HydrophobicContact CD1-CD1 4.12Å; L6-L8 PolarHBondContact O-N 2.74Å; L8-T10 VanDerWaalsContact C-N 3.35Å; L8-F11 HydrophobicContact CD2-CB 4.33Å; L8-F11 CarbonylContact O-C 3.51Å; L8-F11 WeakPolarHBondContact O-CA 3.43Å; L8-F11 WeakPolarHBondContact O-CB 3.34Å; L8-F11 PolarHBondContact O-N 3.23Å; L8-L12 PolarHBondContact O-N 2.99Å; L8-R732 HydrophobicContact CD1-CB 4.41Å; L8-R732 WeakPolarHBondContact CD1-O 3.42Å; L8-R732 HydrophobicContact CD2-CB 4.14Å |
| 9 | N | 38.7 | Very low | 45.5 | Very low | 103 Ų | 103 | 74.5 Ų | 74.5 | 55% | 0.551 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -34 | 170.4 | -70.1 | -27.2 | 0 | 0 | 0 | 112.5 | D7 F11 L12 | D7-N9 PolarHBondContact O-N 3.22Å; N9-F11 PolarHBondContact O-N 3.41Å; N9-L12 HydrophobicContact CB-CD1 3.83Å; N9-L12 WeakPolarHBondContact O-CB 3.42Å; N9-L12 PolarHBondContact O-N 2.75Å; N9-L12 VanDerWaalsContact O-N 3.12Å; N9-L12 VanDerWaalsContact OD1-CD1 3.27Å; N9-L12 WeakPolarHBondContact OD1-CD1 3.24Å |
| 10 | T | 42.3 | Very low | 47.6 | Very low | 67 Ų | 67 | 70.9 Ų | 70.9 | 41% | 0.411 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -68 | -20.2 | 169.5 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | D7 L8 | D7-T10 PolarHBondContact O-N 3.12Å; D7-T10 PolarHBondContact O-OG1 2.89Å; L8-T10 VanDerWaalsContact C-N 3.35Å |
| 11 | F | 42.6 | Very low | 49.5 | Very low | 26 Ų | 26 | 67.6 Ų | 67.6 | 11% | 0.114 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -90.2 | -6.3 | 173.2 | -62.2 | -87.6 | 0 | 0 | 0 | 113.4 | L8 N9 E13 M14 L622 F636 | L8-F11 HydrophobicContact CD2-CB 4.33Å; L8-F11 CarbonylContact O-C 3.51Å; L8-F11 WeakPolarHBondContact O-CA 3.43Å; L8-F11 WeakPolarHBondContact O-CB 3.34Å; L8-F11 PolarHBondContact O-N 3.23Å; N9-F11 PolarHBondContact O-N 3.41Å; F11-E13 PolarHBondContact O-N 2.82Å; F11-M14 HydrophobicContact CB-CE 4.48Å; F11-M14 HydrophobicContact CD1-CE 3.57Å; F11-M14 HydrophobicContact CD1-SD 4.22Å; F11-M14 HydrophobicContact CE1-CE 4.35Å; F11-M14 HydrophobicContact CG-CE 4.49Å; F11-M14 WeakPolarHBondContact O-CB 3.27Å; F11-M14 PolarHBondContact O-N 2.87Å; F11-L622 HydrophobicContact CE2-CB 4.31Å; F11-L622 HydrophobicContact CE2-CD1 3.74Å; F11-L622 HydrophobicContact CE2-CD2 4.02Å; F11-L622 HydrophobicContact CE2-CG 4.24Å; F11-L622 HydrophobicContact CZ-CB 3.71Å; F11-L622 HydrophobicContact CZ-CD1 4Å; F11-L622 HydrophobicContact CZ-CD2 4.08Å; F11-L622 HydrophobicContact CZ-CG 4.14Å; F11-F636 HydrophobicContact CD1-CD2 4.42Å; F11-F636 HydrophobicContact CD1-CE2 4.32Å; F11-F636 AromaticContact CE1-CD2 3.64Å; F11-F636 HydrophobicContact CE1-CD2 3.64Å; F11-F636 AromaticContact CE1-CE2 3.64Å; F11-F636 HydrophobicContact CE1-CE2 3.64Å; F11-F636 HydrophobicContact CZ-CD2 4.38Å; F11-F636 HydrophobicContact CZ-CE2 4.12Å |
| 12 | L | 36.3 | Very low | 52.6 | Low | 82 Ų | 82 | 58.4 Ų | 58.4 | 43% | 0.429 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -54.3 | -30 | 168.7 | -89.3 | 154.7 | 0 | 0 | 0 | 112 | L8 N9 M14 | L8-L12 PolarHBondContact O-N 2.99Å; N9-L12 HydrophobicContact CB-CD1 3.83Å; N9-L12 WeakPolarHBondContact O-CB 3.42Å; N9-L12 PolarHBondContact O-N 2.75Å; N9-L12 VanDerWaalsContact O-N 3.12Å; N9-L12 VanDerWaalsContact OD1-CD1 3.27Å; N9-L12 WeakPolarHBondContact OD1-CD1 3.24Å; L12-M14 VanDerWaalsContact C-N 3.26Å; L12-M14 PolarHBondContact O-N 3.28Å |
| 13 | E | 40.2 | Very low | 55.4 | Low | 159 Ų | 159 | 50.2 Ų | 50.2 | 74% | 0.743 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -73.7 | -18.4 | -179.2 | -64.5 | -173.7 | 170.3 | 0 | 0 | 112.6 | F11 G15 | F11-E13 PolarHBondContact O-N 2.82Å; E13-G15 VanDerWaalsContact C-N 3.27Å; E13-G15 PolarHBondContact O-N 3.1Å |
| 14 | M | 40 | Very low | 58 | Low | 40 Ų | 40 | 49 Ų | 49 | 20% | 0.197 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -78.3 | 86.1 | 168.3 | -55.4 | -157.3 | -50.7 | 0 | 0 | 107 | F11 L12 T19 F636 | F11-M14 HydrophobicContact CB-CE 4.48Å; F11-M14 HydrophobicContact CD1-CE 3.57Å; F11-M14 HydrophobicContact CD1-SD 4.22Å; F11-M14 HydrophobicContact CE1-CE 4.35Å; F11-M14 HydrophobicContact CG-CE 4.49Å; F11-M14 WeakPolarHBondContact O-CB 3.27Å; F11-M14 PolarHBondContact O-N 2.87Å; L12-M14 VanDerWaalsContact C-N 3.26Å; L12-M14 PolarHBondContact O-N 3.28Å; M14-T19 HydrophobicContact CE-CG2 3.8Å; M14-T19 HydrophobicContact SD-CG2 3.99Å; M14-F636 HydrophobicContact CE-CD1 4.31Å; M14-F636 HydrophobicContact CE-CG 4.3Å |
| 15 | G | 46.3 | Very low | 60.4 | Low | 47 Ų | 47 | 48 Ų | 48 | 49% | 0.485 | 26% | 0.263 | S | S | . | . | trans | -63.5 | -143.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E13 D17 | E13-G15 VanDerWaalsContact C-N 3.27Å; E13-G15 PolarHBondContact O-N 3.1Å; G15-D17 PolarHBondContact O-N 2.96Å | ||
| 16 | D | 57 | Low | 62.6 | Low | 117 Ų | 117 | 42.5 Ų | 42.5 | 63% | 0.626 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -66 | 24.8 | 170.9 | -71.2 | -43.7 | 0 | 0 | 0 | 112.6 | R875 | D16-R875 PolarHBondContact O-NH1 2.98Å; D16-R875 PolarHBondContact O-NH2 2.79Å |
| 17 | D | 67.2 | Low | 64.4 | Low | 40 Ų | 40 | 43.8 Ų | 43.8 | 21% | 0.214 | 24% | 0.24 | C | C | . | . | trans | -74.1 | 139.2 | -178.4 | -70.2 | 9.8 | 0 | 0 | 0 | 110.4 | G15 T19 N638 E640 | G15-D17 PolarHBondContact O-N 2.96Å; D17-T19 PolarHBondContact O-N 3.48Å; D17-T19 PolarHBondContact O-OG1 3.32Å; D17-N638 PolarHBondContact OD2-ND2 3Å; D17-E640 WeakPolarHBondContact CA-OE1 3.5Å | ||
| 18 | L | 77.8 | Confident | 66.2 | Low | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | trans | -66.8 | 102.7 | 171.8 | 177.6 | 66.1 | 0 | 0 | 0 | 109.8 | M639 Q764 L767 | L18-M639 HydrophobicContact CB-CB 4.05Å; L18-M639 HydrophobicContact CB-CG 4.39Å; L18-M639 HydrophobicContact CD2-CB 3.9Å; L18-M639 HydrophobicContact CD2-CG 3.78Å; L18-M639 HydrophobicContact CG-CB 3.97Å; L18-M639 HydrophobicContact CG-CG 3.79Å; L18-M639 VanDerWaalsContact O-CB 3.24Å; L18-M639 WeakPolarHBondContact O-CB 3.42Å; L18-M639 WeakPolarHBondContact O-CG 3.27Å; L18-M639 PolarHBondContact O-N 2.87Å; L18-Q764 HydrophobicContact CD1-CB 3.8Å; L18-Q764 HydrophobicContact CD1-CG 3.7Å; L18-L767 HydrophobicContact CD1-CD1 4.45Å; L18-L767 HydrophobicContact CD2-CB 3.83Å | ||
| 19 | T | 82.7 | Confident | 68.2 | Low | 23 Ų | 23 | 46.8 Ų | 46.8 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.1 | 179 | -53.6 | 0 | 0 | 0 | 0 | 111 | M14 D17 F636 F637 | M14-T19 HydrophobicContact CE-CG2 3.8Å; M14-T19 HydrophobicContact SD-CG2 3.99Å; D17-T19 PolarHBondContact O-N 3.48Å; D17-T19 PolarHBondContact O-OG1 3.32Å; T19-F636 HydrophobicContact CG2-CB 3.78Å; T19-F636 HydrophobicContact CG2-CD1 3.86Å; T19-F636 HydrophobicContact CG2-CG 4.23Å; T19-F637 WeakPolarHBondContact CA-O 3.43Å |
| 20 | L | 87.3 | Confident | 70.1 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136 | 174.6 | -72.7 | 178.4 | 0 | 0 | 0 | 111 | F636 F637 M639 L693 L697 Q764 H765 A768 | L20-F636 CarbonylContact O-C 3.51Å; L20-F636 VanDerWaalsContact O-CA 3.27Å; L20-F636 WeakPolarHBondContact O-CA 3.45Å; L20-F637 HydrophobicContact CB-CB 4.43Å; L20-F637 PolarHBondContact N-O 3.01Å; L20-F637 PolarHBondContact O-N 3.28Å; L20-M639 HydrophobicContact CD1-SD 4.43Å; L20-L693 HydrophobicContact CD1-CD1 4.15Å; L20-L697 HydrophobicContact CD1-CD1 3.64Å; L20-L697 HydrophobicContact CD1-CD2 3.97Å; L20-L697 HydrophobicContact CD1-CG 4.35Å; L20-Q764 HydrophobicContact CD2-CB 3.64Å; L20-H765 VanDerWaalsContact CD2-CD2 3.48Å; L20-H765 WeakPolarHBondContact CD2-CD2 3.28Å; L20-A768 HydrophobicContact CD1-CB 3.29Å; L20-A768 HydrophobicContact CG-CB 4.29Å |
| 21 | A | 87.7 | Confident | 71.5 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 128.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V634 V635 F636 G726 | A21-V634 HydrophobicContact CB-CG1 3.85Å; A21-V635 CarbonylContact C-O 3.22Å; A21-V635 WeakPolarHBondContact CA-O 3.48Å; A21-F636 HydrophobicContact CB-CD1 3.63Å; A21-F636 HydrophobicContact CB-CE1 3.49Å; A21-F636 VanDerWaalsContact CB-CE1 3.49Å; A21-F636 HydrophobicContact CB-CZ 4.47Å; A21-G726 PolarHBondContact O-N 3.1Å |
| 22 | V | 90 | Very high | 73.2 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 133.2 | 172.2 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | F394 V635 F637 L696 I723 F725 | V22-F394 HydrophobicContact CG1-CE1 4.13Å; V22-F394 HydrophobicContact CG1-CE2 4.17Å; V22-F394 HydrophobicContact CG1-CZ 3.48Å; V22-F394 VanDerWaalsContact CG1-CZ 3.48Å; V22-V635 HydrophobicContact CB-CB 4.47Å; V22-V635 PolarHBondContact N-O 2.99Å; V22-V635 PolarHBondContact O-N 3.5Å; V22-F637 HydrophobicContact CB-CE2 4.15Å; V22-F637 HydrophobicContact CG2-CD2 4.16Å; V22-F637 HydrophobicContact CG2-CE2 3.68Å; V22-L696 HydrophobicContact CG1-CD1 4.42Å; V22-L696 HydrophobicContact CG2-CD1 4.22Å; V22-I723 HydrophobicContact CG1-CG2 3.86Å; V22-F725 HydrophobicContact CG2-CD1 4.07Å; V22-F725 HydrophobicContact CG2-CE1 4.02Å |
| 23 | V | 90.1 | Very high | 75.5 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.4 | -174.3 | -168.6 | 0 | 0 | 0 | 0 | 109.5 | W25 T632 S724 L736 | V23-W25 HydrophobicContact CG1-CD2 4.07Å; V23-W25 HydrophobicContact CG1-CG 4.37Å; V23-W25 HydrophobicContact CG1-CZ2 3.94Å; V23-T632 HydrophobicContact CG1-CG2 3.46Å; V23-T632 VanDerWaalsContact CG1-CG2 3.46Å; V23-S724 PolarHBondContact N-O 3.32Å; V23-L736 HydrophobicContact CG1-CB 4.49Å; V23-L736 HydrophobicContact CG2-CB 4.19Å; V23-L736 HydrophobicContact CG2-CD2 3.66Å; V23-L736 HydrophobicContact CG2-CG 4.47Å |
| 24 | V | 90.6 | Very high | 77.6 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 104.4 | 172 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | M345 Q393 F394 H633 V635 | V24-M345 HydrophobicContact CB-CG 4.15Å; V24-M345 HydrophobicContact CG1-CG 3.67Å; V24-Q393 HydrophobicContact CG1-CG 3.79Å; V24-Q393 HydrophobicContact CG2-CG 4.19Å; V24-F394 HydrophobicContact CG2-CE1 4.48Å; V24-F394 HydrophobicContact CG2-CE2 4.34Å; V24-F394 HydrophobicContact CG2-CZ 3.69Å; V24-H633 HydrophobicContact CB-CB 4.33Å; V24-H633 PolarHBondContact N-O 3.15Å; V24-H633 PolarHBondContact O-N 3.33Å; V24-V635 HydrophobicContact CG2-CG2 4.3Å |
| 25 | W | 89.5 | Confident | 79.8 | Confident | 9 Ų | 9 | 33.7 Ų | 33.7 | 3% | 0.034 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 138.3 | 177 | -63.7 | 101.5 | 0 | 0 | 0 | 111.1 | V23 P30 I71 W335 P342 G344 T632 S724 L736 A737 F738 | V23-W25 HydrophobicContact CG1-CD2 4.07Å; V23-W25 HydrophobicContact CG1-CG 4.37Å; V23-W25 HydrophobicContact CG1-CZ2 3.94Å; W25-P30 HydrophobicContact CE3-CG 4.06Å; W25-P30 HydrophobicContact CH2-CG 4.48Å; W25-P30 HydrophobicContact CZ3-CG 3.51Å; W25-I71 HydrophobicContact CH2-CD1 4.06Å; W25-I71 HydrophobicContact CZ3-CD1 4.35Å; W25-W335 HydrophobicContact CB-CH2 4.02Å; W25-W335 HydrophobicContact CB-CZ2 4.16Å; W25-W335 HydrophobicContact CD2-CH2 4.04Å; W25-W335 AromaticContact CE3-CH2 3.9Å; W25-W335 HydrophobicContact CE3-CH2 3.9Å; W25-W335 HydrophobicContact CG-CH2 4.14Å; W25-P342 HydrophobicContact CB-CB 3.85Å; W25-P342 HydrophobicContact CB-CG 4.11Å; W25-G344 VanDerWaalsContact O-CA 3.26Å; W25-G344 WeakPolarHBondContact O-CA 3.29Å; W25-G344 PolarHBondContact O-N 3.11Å; W25-T632 HydrophobicContact CD2-CG2 4.2Å; W25-T632 HydrophobicContact CE3-CG2 3.76Å; W25-T632 HydrophobicContact CH2-CG2 4.41Å; W25-T632 HydrophobicContact CZ3-CG2 3.86Å; W25-T632 VanDerWaalsContact CZ3-OG1 3.27Å; W25-T632 WeakPolarHBondContact CZ3-OG1 3.42Å; W25-S724 PolarHBondContact NE1-OG 2.82Å; W25-L736 HydrophobicContact CH2-CB 4.27Å; W25-L736 HydrophobicContact CZ2-CB 4.16Å; W25-A737 WeakPolarHBondContact CZ2-O 3.35Å; W25-A737 PolarHBondContact NE1-O 2.93Å; W25-F738 HydrophobicContact CH2-CD1 4.12Å; W25-F738 AromaticContact CH2-CE1 3.95Å; W25-F738 HydrophobicContact CH2-CE1 3.95Å; W25-F738 HydrophobicContact CH2-CZ 4.37Å; W25-F738 AromaticContact CZ2-CD1 3.97Å; W25-F738 HydrophobicContact CZ2-CD1 3.97Å; W25-F738 HydrophobicContact CZ2-CE1 4.28Å; W25-F738 HydrophobicContact CZ2-CG 4.28Å; W25-F738 HydrophobicContact CZ3-CE1 4.2Å |
| 26 | S | 86.1 | Confident | 81.8 | Confident | 10 Ų | 10 | 31.9 Ų | 31.9 | 7% | 0.07 | 16% | 0.162 | C | C | . | . | trans | -75.4 | 172 | 173.7 | 81 | 0 | 0 | 0 | 0 | 112.3 | H28 W335 D631 | S26-H28 PolarHBondContact O-N 2.81Å; S26-H28 PolarHBondContact OG-N 2.55Å; S26-H28 VanDerWaalsContact OG-N 3.09Å; S26-H28 PolarHBondContact OG-O 3.21Å; S26-H28 VanDerWaalsContact OG-O 3.05Å; S26-W335 WeakPolarHBondContact O-CZ2 3.42Å; S26-D631 WeakPolarHBondContact CB-O 3.39Å; S26-D631 PolarHBondContact N-O 2.97Å; S26-D631 WeakPolarHBondContact OG-CA 3.2Å; S26-D631 PolarHBondContact OG-O 2.84Å | ||
| 27 | E | 79.5 | Confident | 83.2 | Confident | 61 Ų | 61 | 27.2 Ų | 27.2 | 29% | 0.285 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -62.5 | -19.6 | 170.8 | -71.8 | -174.9 | 175.5 | 0 | 0 | 112.7 | W335 P342 K357 | E27-W335 PolarHBondContact O-NE1 3.45Å; E27-P342 WeakPolarHBondContact CA-O 3.34Å; E27-P342 WeakPolarHBondContact CG-O 3.39Å; E27-K357 VanDerWaalsContact CD-NZ 3.32Å; E27-K357 IonicContact OE1-NZ 3.77Å; E27-K357 PolarHBondContact OE1-NZ 3.1Å; E27-K357 IonicContact OE2-NZ 2.83Å; E27-K357 PolarHBondContact OE2-NZ 3.23Å |
| 28 | H | 79.5 | Confident | 84 | Confident | 77 Ų | 77 | 25.7 Ų | 25.7 | 36% | 0.356 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -94.5 | 135.5 | -179.3 | -57.4 | 77 | 0 | 0 | 0 | 110.1 | S26 N359 | S26-H28 PolarHBondContact O-N 2.81Å; S26-H28 PolarHBondContact OG-N 2.55Å; S26-H28 VanDerWaalsContact OG-N 3.09Å; S26-H28 PolarHBondContact OG-O 3.21Å; S26-H28 VanDerWaalsContact OG-O 3.05Å; H28-N359 PolarHBondContact CE1-ND2 2.97Å; H28-N359 PolarHBondContact CE1-OD1 2.97Å; H28-N359 PolarHBondContact NE2-ND2 2.84Å; H28-N359 PolarHBondContact NE2-OD1 2.76Å |
| 29 | Y | 80.2 | Confident | 84.2 | Confident | 110 Ų | 110 | 26.8 Ų | 26.8 | 43% | 0.431 | 14% | 0.135 | S | C | . | . | P | Polyproline II helix | trans | -70.4 | 144.3 | 172 | 64 | -85 | 0 | 0 | 0 | 110.2 | S31 L331 A332 W335 | Y29-S31 PolarHBondContact O-N 2.85Å; Y29-L331 HydrophobicContact CD2-CB 4.43Å; Y29-L331 HydrophobicContact CD2-CG 4.32Å; Y29-A332 HydrophobicContact CD1-CB 4.26Å; Y29-A332 HydrophobicContact CD2-CB 4.36Å; Y29-A332 HydrophobicContact CE1-CB 3.77Å; Y29-A332 HydrophobicContact CE2-CB 3.88Å; Y29-W335 VanDerWaalsContact CB-CD2 3.5Å; Y29-W335 HydrophobicContact CD1-CB 4.39Å; Y29-W335 HydrophobicContact CG-CB 4.41Å; Y29-W335 HydrophobicContact CG-CG 4.47Å |
| 30 | P | 79.3 | Confident | 84 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -57.1 | 129.8 | 172 | -25 | 33.3 | 0 | 0 | 0 | 111.4 | W25 L32 I71 L331 D631 F738 | W25-P30 HydrophobicContact CE3-CG 4.06Å; W25-P30 HydrophobicContact CH2-CG 4.48Å; W25-P30 HydrophobicContact CZ3-CG 3.51Å; P30-L32 PolarHBondContact O-N 2.93Å; P30-I71 HydrophobicContact CB-CD1 3.97Å; P30-I71 HydrophobicContact CG-CD1 3.93Å; P30-L331 HydrophobicContact CB-CD2 4.22Å; P30-L331 WeakPolarHBondContact O-CD2 3.5Å; P30-D631 WeakPolarHBondContact CA-OD2 3.49Å; P30-F738 HydrophobicContact CG-CE1 4.46Å |
| 31 | S | 71.5 | Confident | 83 | Confident | 40 Ų | 40 | 32.8 Ų | 32.8 | 28% | 0.28 | 16% | 0.155 | S | C | . | . | trans | -78.4 | 108.6 | 176.2 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | Y29 N627 | Y29-S31 PolarHBondContact O-N 2.85Å; S31-N627 PolarHBondContact OG-ND2 3.02Å | ||
| 32 | L | 78.9 | Confident | 81.8 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 10% | 0.099 | 19% | 0.185 | C | C | . | . | trans | -110.7 | 99 | 175.6 | -63.2 | 179.3 | 0 | 0 | 0 | 110 | P30 I34 R54 C56 I71 L331 | P30-L32 PolarHBondContact O-N 2.93Å; L32-I34 PolarHBondContact O-N 3.04Å; L32-I34 VanDerWaalsContact O-N 3.16Å; L32-R54 HydrophobicContact CD2-CB 3.83Å; L32-R54 HydrophobicContact CD2-CG 4.34Å; L32-C56 HydrophobicContact CD1-CB 3.72Å; L32-I71 HydrophobicContact CD1-CD1 4.25Å; L32-I71 HydrophobicContact CD1-CG1 4.36Å; L32-L331 HydrophobicContact CD1-CD2 3.84Å; L32-L331 HydrophobicContact CG-CD2 4.1Å | ||
| 33 | Q | 83.3 | Confident | 80.4 | Confident | 94 Ų | 94 | 42.3 Ų | 42.3 | 44% | 0.439 | 20% | 0.199 | S | C | . | . | trans | -76.1 | 100 | 168.3 | -74 | -179.8 | -12.2 | 0 | 0 | 108.9 | T35 S50 S51 | Q33-T35 PolarHBondContact O-N 2.8Å; Q33-S50 CarbonylContact O-C 3.43Å; Q33-S50 WeakPolarHBondContact O-CA 3.44Å; Q33-S50 WeakPolarHBondContact O-CB 3.26Å; Q33-S51 WeakPolarHBondContact CB-OG 3.21Å; Q33-S51 PolarHBondContact O-N 2.84Å; Q33-S51 PolarHBondContact OE1-OG 2.9Å | ||
| 34 | I | 84.9 | Confident | 79.5 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 127.5 | -175.3 | -60.6 | 177.6 | 0 | 0 | 0 | 110 | L32 G49 L289 G306 | L32-I34 PolarHBondContact O-N 3.04Å; L32-I34 VanDerWaalsContact O-N 3.16Å; I34-G49 CarbonylContact C-O 3.56Å; I34-G49 WeakPolarHBondContact CA-O 3.33Å; I34-L289 WeakPolarHBondContact O-CD1 3.48Å; I34-G306 WeakPolarHBondContact CD1-O 3.38Å |
| 35 | T | 86.9 | Confident | 79.1 | Confident | 41 Ų | 41 | 44.7 Ų | 44.7 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -30.7 | 175.3 | 55.9 | 0 | 0 | 0 | 0 | 112.3 | Q33 G49 I79 | Q33-T35 PolarHBondContact O-N 2.8Å; T35-G49 PolarHBondContact N-O 3.34Å; T35-G49 PolarHBondContact OG1-O 2.83Å; T35-I79 WeakPolarHBondContact CB-O 3.18Å; T35-I79 PolarHBondContact OG1-O 3.19Å |
| 36 | S | 87.2 | Confident | 78.7 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 158.5 | -176.4 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | S48 G49 I79 M82 | S36-S48 CarbonylContact O-C 3.49Å; S36-S48 WeakPolarHBondContact O-CA 3.38Å; S36-G49 PolarHBondContact N-O 2.8Å; S36-G49 PolarHBondContact O-N 2.78Å; S36-I79 VanDerWaalsContact OG-CG2 3.31Å; S36-I79 WeakPolarHBondContact OG-CG2 3.39Å; S36-M82 WeakPolarHBondContact O-CE 3.49Å; S36-M82 WeakPolarHBondContact OG-CE 3.47Å |
| 37 | L | 87.7 | Confident | 78.7 | Confident | 19 Ų | 19 | 44.2 Ų | 44.2 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 144.1 | -178 | -166.7 | 155.6 | 0 | 0 | 0 | 110.6 | L39 V46 I47 I300 W302 A308 | L37-L39 HydrophobicContact CD2-CD2 3.8Å; L37-L39 HydrophobicContact CD2-CG 4.05Å; L37-V46 HydrophobicContact CD1-CG1 3.85Å; L37-V46 HydrophobicContact CD2-CG1 3.29Å; L37-V46 HydrophobicContact CG-CG1 3.51Å; L37-I47 CarbonylContact C-O 3.55Å; L37-I47 VanDerWaalsContact CA-O 3.29Å; L37-I47 WeakPolarHBondContact CA-O 3.06Å; L37-I300 HydrophobicContact CD1-CD1 4.23Å; L37-I300 HydrophobicContact CD2-CG2 4.5Å; L37-W302 HydrophobicContact CB-CD2 3.72Å; L37-W302 HydrophobicContact CB-CE3 3.76Å; L37-W302 HydrophobicContact CB-CG 4.31Å; L37-W302 HydrophobicContact CB-CH2 4.07Å; L37-W302 HydrophobicContact CB-CZ2 4.05Å; L37-W302 HydrophobicContact CB-CZ3 3.93Å; L37-W302 HydrophobicContact CD1-CB 4.47Å; L37-W302 HydrophobicContact CD1-CD2 4.3Å; L37-W302 HydrophobicContact CD1-CE3 4.02Å; L37-W302 HydrophobicContact CD2-CE3 4.31Å; L37-W302 HydrophobicContact CD2-CZ3 4.16Å; L37-W302 HydrophobicContact CG-CE3 4.27Å; L37-W302 HydrophobicContact CG-CZ3 4.49Å; L37-A308 HydrophobicContact CD1-CB 4.49Å |
| 38 | C | 84 | Confident | 79.1 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 136.4 | -177.3 | -155.6 | 0 | 0 | 0 | 0 | 110.3 | V46 I47 M82 T83 V84 | C38-V46 CarbonylContact O-C 3.5Å; C38-V46 WeakPolarHBondContact O-CA 3.5Å; C38-I47 HydrophobicContact CB-CB 4.37Å; C38-I47 PolarHBondContact N-O 3.45Å; C38-I47 PolarHBondContact O-N 3.24Å; C38-M82 HydrophobicContact CB-CB 4.11Å; C38-M82 HydrophobicContact CB-CE 4.24Å; C38-T83 VanDerWaalsContact SG-CA 3.57Å; C38-V84 WeakPolarHBondContact SG-CG2 3.01Å; C38-V84 PolarHBondContact SG-N 3.2Å |
| 39 | L | 81.1 | Confident | 79.7 | Confident | 23 Ų | 23 | 37.7 Ų | 37.7 | 12% | 0.12 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.1 | -175.9 | -65.7 | 175.1 | 0 | 0 | 0 | 111.4 | L37 V46 V84 A292 V294 I300 | L37-L39 HydrophobicContact CD2-CD2 3.8Å; L37-L39 HydrophobicContact CD2-CG 4.05Å; L39-V46 HydrophobicContact CD2-CB 4.21Å; L39-V46 HydrophobicContact CD2-CG1 3.94Å; L39-V46 HydrophobicContact CD2-CG2 3.57Å; L39-V84 WeakPolarHBondContact O-CG2 3.05Å; L39-A292 HydrophobicContact CD1-CB 3.68Å; L39-V294 HydrophobicContact CD1-CG2 3.82Å; L39-I300 HydrophobicContact CD1-CG2 3.87Å; L39-I300 HydrophobicContact CD2-CG2 4.28Å; L39-I300 HydrophobicContact CG-CG2 4.44Å |
| 40 | L | 78.1 | Confident | 80.1 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 99.6 | 168.6 | -72 | 107.6 | 0 | 0 | 0 | 109.2 | H42 H43 L45 I47 V84 D87 C108 | L40-H42 PolarHBondContact O-N 3.18Å; L40-H43 PolarHBondContact O-N 2.66Å; L40-L45 HydrophobicContact CB-CB 4.02Å; L40-L45 HydrophobicContact CD1-CB 4.33Å; L40-L45 PolarHBondContact N-O 3.32Å; L40-L45 PolarHBondContact O-N 3.11Å; L40-I47 HydrophobicContact CD1-CD1 3.62Å; L40-I47 HydrophobicContact CD1-CG1 3.81Å; L40-V84 HydrophobicContact CG-CG2 4.31Å; L40-D87 WeakPolarHBondContact CA-OD1 3.49Å; L40-D87 WeakPolarHBondContact CB-OD1 3.16Å; L40-C108 HydrophobicContact CD2-CB 3.71Å |
| 41 | R | 67.2 | Low | 80.5 | Confident | 147 Ų | 147 | 33.8 Ų | 33.8 | 56% | 0.555 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -70.2 | -36.9 | -160.6 | -71.7 | 179.8 | -91.9 | 157.3 | -9.2 | 112.4 | H43 D87 P248 | R41-H43 PolarHBondContact O-N 3.1Å; R41-D87 WeakPolarHBondContact CB-OD2 3.34Å; R41-D87 PolarHBondContact N-OD1 2.89Å; R41-D87 VanDerWaalsContact N-OD1 3.12Å; R41-D87 PolarHBondContact N-OD2 2.96Å; R41-P248 VanDerWaalsContact NH1-CB 3.26Å |
| 42 | H | 61.5 | Low | 81.1 | Confident | 142 Ų | 142 | 33 Ų | 33 | 66% | 0.657 | 17% | 0.166 | S | C | * | . | G | 310 helix | trans | -71 | -10.9 | -175.1 | -72.3 | -65 | 0 | 0 | 0 | 114.1 | L40 D87 | L40-H42 PolarHBondContact O-N 3.18Å; H42-D87 IonicContact CD2-OD2 3.01Å; H42-D87 PolarHBondContact CD2-OD2 2.86Å; H42-D87 VanDerWaalsContact CD2-OD2 3.27Å; H42-D87 IonicContact CG-OD2 3.42Å; H42-D87 PolarHBondContact N-OD2 3.36Å |
| 43 | H | 61.4 | Low | 81.5 | Confident | 62 Ų | 62 | 32.1 Ų | 32.1 | 29% | 0.287 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -130.7 | 0.4 | -165.4 | -56.4 | -42.8 | 0 | 0 | 0 | 115.4 | L40 R41 L45 D87 I89 | L40-H43 PolarHBondContact O-N 2.66Å; R41-H43 PolarHBondContact O-N 3.1Å; H43-L45 HydrophobicContact CB-CB 4.47Å; H43-L45 HydrophobicContact CB-CD1 4.03Å; H43-L45 HydrophobicContact CB-CG 3.96Å; H43-L45 PolarHBondContact O-N 3.34Å; H43-D87 PolarHBondContact NE2-O 3.46Å; H43-I89 WeakPolarHBondContact CE1-CD1 3.43Å; H43-I89 WeakPolarHBondContact CE1-CG1 3.27Å; H43-I89 VanDerWaalsContact ND1-CG1 3.27Å; H43-I89 WeakPolarHBondContact ND1-CG1 3.28Å; H43-I89 WeakPolarHBondContact NE2-CG1 3.2Å; H43-I89 PolarHBondContact NE2-N 2.87Å |
| 44 | G | 71.9 | Confident | 81.8 | Confident | 26 Ų | 26 | 27.8 Ų | 27.8 | 27% | 0.268 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 36.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K59 L60 | G44-K59 CarbonylContact O-C 3.54Å; G44-L60 WeakPolarHBondContact O-CB 3.32Å; G44-L60 PolarHBondContact O-N 3.46Å |
| 45 | L | 80.6 | Confident | 82 | Confident | 31 Ų | 31 | 27.5 Ų | 27.5 | 16% | 0.162 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 144.1 | 177.1 | -67.6 | 176.9 | 0 | 0 | 0 | 110.2 | L40 H43 L57 W58 K59 L69 | L40-L45 HydrophobicContact CB-CB 4.02Å; L40-L45 HydrophobicContact CD1-CB 4.33Å; L40-L45 PolarHBondContact N-O 3.32Å; L40-L45 PolarHBondContact O-N 3.11Å; H43-L45 HydrophobicContact CB-CB 4.47Å; H43-L45 HydrophobicContact CB-CD1 4.03Å; H43-L45 HydrophobicContact CB-CG 3.96Å; H43-L45 PolarHBondContact O-N 3.34Å; L45-L57 HydrophobicContact CB-CD1 4.26Å; L45-W58 CarbonylContact C-O 3.57Å; L45-W58 VanDerWaalsContact CA-O 3.28Å; L45-W58 WeakPolarHBondContact CA-O 3.22Å; L45-W58 WeakPolarHBondContact CD2-O 3.22Å; L45-K59 HydrophobicContact CD2-CB 4.16Å; L45-K59 HydrophobicContact CD2-CG 4.42Å; L45-L69 HydrophobicContact CD2-CD1 3.93Å |
| 46 | V | 82.1 | Confident | 82.1 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.03 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.5 | 179.5 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | L37 C38 L39 L57 W58 L60 | L37-V46 HydrophobicContact CD1-CG1 3.85Å; L37-V46 HydrophobicContact CD2-CG1 3.29Å; L37-V46 HydrophobicContact CG-CG1 3.51Å; C38-V46 CarbonylContact O-C 3.5Å; C38-V46 WeakPolarHBondContact O-CA 3.5Å; L39-V46 HydrophobicContact CD2-CB 4.21Å; L39-V46 HydrophobicContact CD2-CG1 3.94Å; L39-V46 HydrophobicContact CD2-CG2 3.57Å; V46-L57 CarbonylContact O-C 3.21Å; V46-L57 WeakPolarHBondContact O-CA 3.41Å; V46-W58 HydrophobicContact CB-CB 4.12Å; V46-W58 PolarHBondContact N-O 2.56Å; V46-W58 PolarHBondContact O-N 3.31Å; V46-L60 HydrophobicContact CG2-CD1 3.17Å; V46-L60 HydrophobicContact CG2-CD2 4.47Å; V46-L60 HydrophobicContact CG2-CG 3.59Å |
| 47 | I | 86.7 | Confident | 82 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.6 | 170.6 | -58.7 | 174.6 | 0 | 0 | 0 | 107.7 | L37 C38 L40 L55 C56 L57 M82 C94 | L37-I47 CarbonylContact C-O 3.55Å; L37-I47 VanDerWaalsContact CA-O 3.29Å; L37-I47 WeakPolarHBondContact CA-O 3.06Å; C38-I47 HydrophobicContact CB-CB 4.37Å; C38-I47 PolarHBondContact N-O 3.45Å; C38-I47 PolarHBondContact O-N 3.24Å; L40-I47 HydrophobicContact CD1-CD1 3.62Å; L40-I47 HydrophobicContact CD1-CG1 3.81Å; I47-L55 HydrophobicContact CG2-CB 4.45Å; I47-C56 CarbonylContact C-O 3.57Å; I47-C56 VanDerWaalsContact CA-O 3.31Å; I47-C56 WeakPolarHBondContact CA-O 3.44Å; I47-L57 HydrophobicContact CD1-CD1 4.31Å; I47-L57 HydrophobicContact CG1-CD1 3.63Å; I47-M82 HydrophobicContact CG2-CE 4.27Å; I47-M82 HydrophobicContact CG2-SD 4.07Å; I47-M82 VanDerWaalsContact O-CE 3.31Å; I47-M82 WeakPolarHBondContact O-CE 3.41Å; I47-C94 HydrophobicContact CD1-CB 4.35Å; I47-C94 VanDerWaalsContact CD1-SG 3.59Å |
| 48 | S | 88 | Confident | 81.8 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 139.9 | 172.3 | 64.2 | 0 | 0 | 0 | 0 | 110.3 | S36 L55 C56 W58 | S36-S48 CarbonylContact O-C 3.49Å; S36-S48 WeakPolarHBondContact O-CA 3.38Å; S48-L55 CarbonylContact O-C 3.57Å; S48-L55 VanDerWaalsContact O-CA 3.26Å; S48-L55 WeakPolarHBondContact O-CA 3.45Å; S48-C56 PolarHBondContact N-O 3.43Å; S48-C56 PolarHBondContact O-N 3.15Å; S48-C56 PolarHBondContact OG-O 3.49Å; S48-W58 PolarHBondContact OG-NE1 2.83Å |
| 49 | G | 90.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 152.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I34 T35 S36 R54 | I34-G49 CarbonylContact C-O 3.56Å; I34-G49 WeakPolarHBondContact CA-O 3.33Å; T35-G49 PolarHBondContact N-O 3.34Å; T35-G49 PolarHBondContact OG1-O 2.83Å; S36-G49 PolarHBondContact N-O 2.8Å; S36-G49 PolarHBondContact O-N 2.78Å; G49-R54 WeakPolarHBondContact CA-O 3.12Å |
| 50 | S | 89.7 | Confident | 81.5 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 168 | -174.7 | 57.8 | 0 | 0 | 0 | 0 | 114.8 | Q33 D52 G53 R54 I79 | Q33-S50 CarbonylContact O-C 3.43Å; Q33-S50 WeakPolarHBondContact O-CA 3.44Å; Q33-S50 WeakPolarHBondContact O-CB 3.26Å; S50-D52 VanDerWaalsContact CB-OD1 3.32Å; S50-D52 WeakPolarHBondContact CB-OD1 3.44Å; S50-D52 PolarHBondContact O-N 3.44Å; S50-D52 PolarHBondContact OG-OD1 3.37Å; S50-G53 PolarHBondContact O-N 2.85Å; S50-R54 PolarHBondContact N-O 3.44Å; S50-R54 WeakPolarHBondContact OG-CA 3.31Å; S50-R54 WeakPolarHBondContact OG-CB 2.94Å; S50-R54 PolarHBondContact OG-N 3.2Å; S50-R54 VanDerWaalsContact OG-N 3.14Å; S50-R54 PolarHBondContact OG-O 2.72Å; S50-I79 PolarHBondContact O-N 2.76Å |
| 51 | S | 88.4 | Confident | 81.2 | Confident | 24 Ų | 24 | 31.2 Ų | 31.2 | 17% | 0.168 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -18.3 | -179.1 | 66.2 | 0 | 0 | 0 | 0 | 114.5 | Q33 A78 | Q33-S51 WeakPolarHBondContact CB-OG 3.21Å; Q33-S51 PolarHBondContact O-N 2.84Å; Q33-S51 PolarHBondContact OE1-OG 2.9Å; S51-A78 WeakPolarHBondContact O-CA 3.37Å; S51-A78 WeakPolarHBondContact O-CB 3.35Å |
| 52 | D | 83.8 | Confident | 81.2 | Confident | 24 Ų | 24 | 33.6 Ų | 33.6 | 13% | 0.128 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 2.4 | 175.8 | 70.5 | -26.3 | 0 | 0 | 0 | 113.3 | I4 S50 R54 | I4-D52 HydrophobicContact CG1-CB 4.5Å; S50-D52 VanDerWaalsContact CB-OD1 3.32Å; S50-D52 WeakPolarHBondContact CB-OD1 3.44Å; S50-D52 PolarHBondContact O-N 3.44Å; S50-D52 PolarHBondContact OG-OD1 3.37Å; D52-R54 PolarHBondContact OD1-N 2.79Å; D52-R54 WeakPolarHBondContact OD2-CD 3.46Å; D52-R54 WeakPolarHBondContact OD2-CG 3.35Å; D52-R54 IonicContact OD2-CZ 3.61Å; D52-R54 IonicContact OD2-NE 2.73Å; D52-R54 PolarHBondContact OD2-NE 3Å; D52-R54 IonicContact OD2-NH2 2.98Å |
| 53 | G | 87.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 90 | 5.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S50 S77 | S50-G53 PolarHBondContact O-N 2.85Å; G53-S77 WeakPolarHBondContact CA-O 3.21Å |
| 54 | R | 88.7 | Confident | 81.5 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 1% | 0.011 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 151.6 | 173.5 | -58.3 | 177.7 | -166.9 | -171.2 | -1.9 | 111 | I4 L32 G49 S50 D52 I71 F72 D631 | I4-R54 HydrophobicContact CD1-CG 3.64Å; L32-R54 HydrophobicContact CD2-CB 3.83Å; L32-R54 HydrophobicContact CD2-CG 4.34Å; G49-R54 WeakPolarHBondContact CA-O 3.12Å; S50-R54 PolarHBondContact N-O 3.44Å; S50-R54 WeakPolarHBondContact OG-CA 3.31Å; S50-R54 WeakPolarHBondContact OG-CB 2.94Å; S50-R54 PolarHBondContact OG-N 3.2Å; S50-R54 VanDerWaalsContact OG-N 3.14Å; S50-R54 PolarHBondContact OG-O 2.72Å; D52-R54 PolarHBondContact OD1-N 2.79Å; D52-R54 WeakPolarHBondContact OD2-CD 3.46Å; D52-R54 WeakPolarHBondContact OD2-CG 3.35Å; D52-R54 IonicContact OD2-CZ 3.61Å; D52-R54 IonicContact OD2-NE 2.73Å; D52-R54 PolarHBondContact OD2-NE 3Å; D52-R54 IonicContact OD2-NH2 2.98Å; R54-I71 HydrophobicContact CB-CG2 4.42Å; R54-F72 WeakPolarHBondContact CA-O 3.34Å; R54-D631 IonicContact CZ-OD2 3.61Å; R54-D631 IonicContact NH1-OD1 3.48Å; R54-D631 IonicContact NH1-OD2 3.23Å; R54-D631 PolarHBondContact NH1-OD2 3.39Å; R54-D631 IonicContact NH2-OD2 2.73Å |
| 55 | L | 89.2 | Confident | 81.5 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 148 | 166.1 | -55.4 | 174.8 | 0 | 0 | 0 | 108.3 | I47 S48 I71 F72 I79 M82 V96 W106 | I47-L55 HydrophobicContact CG2-CB 4.45Å; S48-L55 CarbonylContact O-C 3.57Å; S48-L55 VanDerWaalsContact O-CA 3.26Å; S48-L55 WeakPolarHBondContact O-CA 3.45Å; L55-I71 CarbonylContact O-C 3.54Å; L55-I71 VanDerWaalsContact O-CA 3.31Å; L55-I71 WeakPolarHBondContact O-CA 3.28Å; L55-F72 HydrophobicContact CB-CB 4.08Å; L55-F72 HydrophobicContact CB-CD2 3.86Å; L55-F72 HydrophobicContact CB-CG 4.44Å; L55-F72 PolarHBondContact N-O 3.27Å; L55-F72 PolarHBondContact O-N 3.09Å; L55-I79 HydrophobicContact CD2-CD1 4.15Å; L55-I79 HydrophobicContact CD2-CG1 3.92Å; L55-I79 HydrophobicContact CD2-CG2 4.44Å; L55-M82 HydrophobicContact CD2-SD 3.55Å; L55-M82 VanDerWaalsContact CD2-SD 3.55Å; L55-V96 HydrophobicContact CD1-CG1 4.34Å; L55-V96 HydrophobicContact CD1-CG2 3.97Å; L55-V96 HydrophobicContact CD2-CG1 3.99Å; L55-V96 HydrophobicContact CD2-CG2 4.44Å; L55-W106 HydrophobicContact CD1-CD2 3.93Å; L55-W106 HydrophobicContact CD1-CE3 4.42Å; L55-W106 HydrophobicContact CD1-CG 4.26Å; L55-W106 HydrophobicContact CD1-CZ2 4.1Å |
| 56 | C | 88.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.3 | 174 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | L32 I47 S48 W58 H70 I71 | L32-C56 HydrophobicContact CD1-CB 3.72Å; I47-C56 CarbonylContact C-O 3.57Å; I47-C56 VanDerWaalsContact CA-O 3.31Å; I47-C56 WeakPolarHBondContact CA-O 3.44Å; S48-C56 PolarHBondContact N-O 3.43Å; S48-C56 PolarHBondContact O-N 3.15Å; S48-C56 PolarHBondContact OG-O 3.49Å; C56-W58 HydrophobicContact CB-CZ2 4.26Å; C56-W58 PolarHBondContact O-NE1 2.65Å; C56-W58 PolarHBondContact SG-NE1 2.75Å; C56-H70 CarbonylContact C-O 3.46Å; C56-H70 WeakPolarHBondContact CA-O 3.23Å; C56-I71 HydrophobicContact CB-CG1 4.3Å |
| 57 | L | 86.4 | Confident | 81.1 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 132.7 | 172.9 | -179.4 | 69.7 | 0 | 0 | 0 | 109.3 | L45 V46 I47 L69 H70 F72 C108 | L45-L57 HydrophobicContact CB-CD1 4.26Å; V46-L57 CarbonylContact O-C 3.21Å; V46-L57 WeakPolarHBondContact O-CA 3.41Å; I47-L57 HydrophobicContact CD1-CD1 4.31Å; I47-L57 HydrophobicContact CG1-CD1 3.63Å; L57-L69 HydrophobicContact CD2-CB 4.42Å; L57-L69 HydrophobicContact CD2-CD1 4.2Å; L57-L69 HydrophobicContact CG-CB 4.48Å; L57-L69 HydrophobicContact CG-CD1 4.4Å; L57-L69 PolarHBondContact O-N 3.26Å; L57-H70 HydrophobicContact CB-CB 4.46Å; L57-H70 PolarHBondContact N-O 2.85Å; L57-H70 PolarHBondContact O-N 3.41Å; L57-F72 HydrophobicContact CB-CE2 3.71Å; L57-F72 HydrophobicContact CB-CZ 3.72Å; L57-F72 HydrophobicContact CD2-CZ 4.15Å; L57-C108 WeakPolarHBondContact CD2-O 3.42Å |
| 58 | W | 83.2 | Confident | 81 | Confident | 17 Ų | 17 | 34.7 Ų | 34.7 | 6% | 0.064 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.9 | -179.8 | -44.7 | 71.6 | 0 | 0 | 0 | 110.6 | L45 V46 S48 C56 A66 Q67 P68 L331 | L45-W58 CarbonylContact C-O 3.57Å; L45-W58 VanDerWaalsContact CA-O 3.28Å; L45-W58 WeakPolarHBondContact CA-O 3.22Å; L45-W58 WeakPolarHBondContact CD2-O 3.22Å; V46-W58 HydrophobicContact CB-CB 4.12Å; V46-W58 PolarHBondContact N-O 2.56Å; V46-W58 PolarHBondContact O-N 3.31Å; S48-W58 PolarHBondContact OG-NE1 2.83Å; C56-W58 HydrophobicContact CB-CZ2 4.26Å; C56-W58 PolarHBondContact O-NE1 2.65Å; C56-W58 PolarHBondContact SG-NE1 2.75Å; W58-A66 HydrophobicContact CE3-CB 4.25Å; W58-Q67 CarbonylContact C-O 3.6Å; W58-Q67 VanDerWaalsContact CA-O 3.22Å; W58-Q67 WeakPolarHBondContact CA-O 3.38Å; W58-P68 HydrophobicContact CD2-CB 4.2Å; W58-P68 HydrophobicContact CE3-CB 3.71Å; W58-P68 HydrophobicContact CE3-CG 4.29Å; W58-P68 HydrophobicContact CH2-CB 4.33Å; W58-P68 HydrophobicContact CZ3-CB 3.79Å; W58-P68 HydrophobicContact CZ3-CG 4.08Å; W58-L331 HydrophobicContact CH2-CB 3.95Å; W58-L331 HydrophobicContact CH2-CD1 4.17Å; W58-L331 HydrophobicContact CZ3-CD1 4.5Å |
| 59 | K | 81.2 | Confident | 80.7 | Confident | 85 Ų | 85 | 35.2 Ų | 35.2 | 37% | 0.37 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.5 | 168.5 | -173.7 | 179.8 | 178.4 | -173.1 | 0 | 109.8 | G44 L45 A66 Q67 L69 | G44-K59 CarbonylContact O-C 3.54Å; L45-K59 HydrophobicContact CD2-CB 4.16Å; L45-K59 HydrophobicContact CD2-CG 4.42Å; K59-A66 CarbonylContact O-C 3.56Å; K59-A66 WeakPolarHBondContact O-CA 3.08Å; K59-Q67 PolarHBondContact N-O 3.26Å; K59-Q67 PolarHBondContact O-N 2.75Å; K59-L69 HydrophobicContact CB-CD1 3.95Å; K59-L69 HydrophobicContact CB-CD2 4.11Å; K59-L69 HydrophobicContact CB-CG 4.02Å |
| 60 | L | 76.9 | Confident | 80.4 | Confident | 26 Ų | 26 | 36.1 Ų | 36.1 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 120.5 | 166.5 | -73.4 | 161.6 | 0 | 0 | 0 | 108.9 | G44 V46 A66 V294 | G44-L60 WeakPolarHBondContact O-CB 3.32Å; G44-L60 PolarHBondContact O-N 3.46Å; V46-L60 HydrophobicContact CG2-CD1 3.17Å; V46-L60 HydrophobicContact CG2-CD2 4.47Å; V46-L60 HydrophobicContact CG2-CG 3.59Å; L60-A66 HydrophobicContact CD2-CB 4.06Å; L60-V294 HydrophobicContact CD1-CG1 4.47Å |
| 61 | T | 71.5 | Confident | 80.3 | Confident | 47 Ų | 47 | 36 Ų | 36 | 29% | 0.288 | 19% | 0.187 | S | C | . | . | trans | -76.6 | 164.1 | 172 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | C63 L64 K65 | T61-C63 PolarHBondContact O-N 3.49Å; T61-L64 WeakPolarHBondContact O-CA 3.15Å; T61-L64 PolarHBondContact O-N 3.47Å; T61-K65 PolarHBondContact N-O 3.4Å; T61-K65 WeakPolarHBondContact OG1-CB 3.31Å; T61-K65 PolarHBondContact OG1-N 2.92Å; T61-K65 PolarHBondContact OG1-O 2.73Å | ||
| 62 | E | 67.6 | Low | 80.2 | Confident | 197 Ų | 197 | 35.1 Ų | 35.1 | 92% | 0.921 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.3 | 173.4 | -64.3 | -174.2 | 175 | 0 | 0 | 112.3 | L64 | E62-L64 PolarHBondContact O-N 3.02Š|
| 63 | C | 66.2 | Low | 80.2 | Confident | 105 Ų | 105 | 34.2 Ų | 34.2 | 71% | 0.709 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 9.5 | 173.5 | -55 | 0 | 0 | 0 | 0 | 113.5 | T61 K65 | T61-C63 PolarHBondContact O-N 3.49Å; C63-K65 PolarHBondContact O-N 2.85Å |
| 64 | L | 64.3 | Low | 79.7 | Confident | 29 Ų | 29 | 35 Ų | 35 | 15% | 0.152 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 64.5 | 18.3 | 175.5 | -56.4 | 173 | 0 | 0 | 0 | 115 | T61 E62 K298 L310 V327 | T61-L64 WeakPolarHBondContact O-CA 3.15Å; T61-L64 PolarHBondContact O-N 3.47Å; E62-L64 PolarHBondContact O-N 3.02Å; L64-K298 HydrophobicContact CD1-CD 3.98Å; L64-K298 HydrophobicContact CD2-CD 4.42Å; L64-L310 HydrophobicContact CB-CD2 3.46Å; L64-L310 VanDerWaalsContact CB-CD2 3.46Å; L64-L310 HydrophobicContact CD1-CD2 3.45Å; L64-L310 VanDerWaalsContact CD1-CD2 3.45Å; L64-L310 HydrophobicContact CD2-CD2 3.64Å; L64-L310 HydrophobicContact CG-CD2 3.66Å; L64-V327 HydrophobicContact CB-CG2 4.25Å |
| 65 | K | 71.5 | Confident | 79.5 | Confident | 110 Ų | 110 | 35.3 Ų | 35.3 | 48% | 0.478 | 19% | 0.185 | S | C | . | . | trans | -82.5 | 133.4 | 166.2 | -67.4 | -168.9 | 170.4 | -158.5 | 0 | 109.8 | T61 C63 E337 | T61-K65 PolarHBondContact N-O 3.4Å; T61-K65 WeakPolarHBondContact OG1-CB 3.31Å; T61-K65 PolarHBondContact OG1-N 2.92Å; T61-K65 PolarHBondContact OG1-O 2.73Å; C63-K65 PolarHBondContact O-N 2.85Å; K65-E337 IonicContact NZ-OE1 2.82Å; K65-E337 PolarHBondContact NZ-OE1 2.84Å; K65-E337 IonicContact NZ-OE2 3.22Å | ||
| 66 | A | 75.9 | Confident | 78.9 | Confident | 20 Ų | 20 | 38.8 Ų | 38.8 | 17% | 0.165 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | W58 K59 L60 | W58-A66 HydrophobicContact CE3-CB 4.25Å; K59-A66 CarbonylContact O-C 3.56Å; K59-A66 WeakPolarHBondContact O-CA 3.08Å; L60-A66 HydrophobicContact CD2-CB 4.06Å |
| 67 | Q | 78.7 | Confident | 78.9 | Confident | 28 Ų | 28 | 40.2 Ų | 40.2 | 13% | 0.131 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.9 | 176.9 | 178.2 | -175.7 | 2.6 | 0 | 0 | 109 | W58 K59 Y334 E744 | W58-Q67 CarbonylContact C-O 3.6Å; W58-Q67 VanDerWaalsContact CA-O 3.22Å; W58-Q67 WeakPolarHBondContact CA-O 3.38Å; K59-Q67 PolarHBondContact N-O 3.26Å; K59-Q67 PolarHBondContact O-N 2.75Å; Q67-Y334 HydrophobicContact CG-CD2 4.4Å; Q67-Y334 HydrophobicContact CG-CE2 3.85Å; Q67-E744 PolarHBondContact NE2-OE1 3.16Å; Q67-E744 PolarHBondContact NE2-OE2 3.3Å; Q67-E744 PolarHBondContact OE1-OE1 2.86Å |
| 68 | P | 84.2 | Confident | 79.1 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 140.3 | 175.7 | 32.8 | -35.6 | 0 | 0 | 0 | 110.2 | W58 L331 Y334 F738 | W58-P68 HydrophobicContact CD2-CB 4.2Å; W58-P68 HydrophobicContact CE3-CB 3.71Å; W58-P68 HydrophobicContact CE3-CG 4.29Å; W58-P68 HydrophobicContact CH2-CB 4.33Å; W58-P68 HydrophobicContact CZ3-CB 3.79Å; W58-P68 HydrophobicContact CZ3-CG 4.08Å; P68-L331 HydrophobicContact CB-CD1 4.12Å; P68-L331 HydrophobicContact CG-CD1 3.77Å; P68-Y334 VanDerWaalsContact CD-CG 3.42Å; P68-Y334 HydrophobicContact CG-CD1 3.23Å; P68-Y334 HydrophobicContact CG-CD2 4.15Å; P68-Y334 HydrophobicContact CG-CE1 3.38Å; P68-Y334 HydrophobicContact CG-CE2 4.29Å; P68-Y334 HydrophobicContact CG-CG 3.62Å; P68-F738 HydrophobicContact CB-CD2 3.65Å; P68-F738 HydrophobicContact CB-CE2 3.59Å; P68-F738 HydrophobicContact CB-CG 4.2Å; P68-F738 HydrophobicContact CB-CZ 4.12Å; P68-F738 HydrophobicContact CG-CD2 4.24Å; P68-F738 HydrophobicContact CG-CE2 4.37Å; P68-F738 HydrophobicContact CG-CG 4.29Å |
| 69 | L | 81.6 | Confident | 79.5 | Confident | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.063 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | -49.8 | -179.6 | -63 | -175.6 | 0 | 0 | 0 | 111.5 | L45 L57 K59 F738 T754 | L45-L69 HydrophobicContact CD2-CD1 3.93Å; L57-L69 HydrophobicContact CD2-CB 4.42Å; L57-L69 HydrophobicContact CD2-CD1 4.2Å; L57-L69 HydrophobicContact CG-CB 4.48Å; L57-L69 HydrophobicContact CG-CD1 4.4Å; L57-L69 PolarHBondContact O-N 3.26Å; K59-L69 HydrophobicContact CB-CD1 3.95Å; K59-L69 HydrophobicContact CB-CD2 4.11Å; K59-L69 HydrophobicContact CB-CG 4.02Å; L69-F738 PolarHBondContact O-N 2.86Å; L69-T754 HydrophobicContact CD2-CG2 3.95Å |
| 70 | H | 84.5 | Confident | 80 | Confident | 19 Ų | 19 | 37 Ų | 37 | 9% | 0.088 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 145.3 | -176.3 | -65.6 | -91.2 | 0 | 0 | 0 | 111.6 | C56 L57 F72 L736 A737 T754 | C56-H70 CarbonylContact C-O 3.46Å; C56-H70 WeakPolarHBondContact CA-O 3.23Å; L57-H70 HydrophobicContact CB-CB 4.46Å; L57-H70 PolarHBondContact N-O 2.85Å; L57-H70 PolarHBondContact O-N 3.41Å; H70-F72 HydrophobicContact CB-CD1 4.18Å; H70-F72 HydrophobicContact CB-CE1 3.36Å; H70-F72 HydrophobicContact CB-CZ 3.7Å; H70-L736 CarbonylContact C-O 3.59Å; H70-L736 VanDerWaalsContact CA-O 3.26Å; H70-L736 WeakPolarHBondContact CA-O 3.28Å; H70-A737 WeakPolarHBondContact ND1-CA 3.3Å; H70-T754 PolarHBondContact NE2-O 2.98Å; H70-T754 VanDerWaalsContact NE2-O 3.15Å |
| 71 | I | 87.5 | Confident | 80.7 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133 | 160.5 | -82.9 | 166.8 | 0 | 0 | 0 | 108.7 | W25 P30 L32 R54 L55 C56 M73 S735 L736 F738 | W25-I71 HydrophobicContact CH2-CD1 4.06Å; W25-I71 HydrophobicContact CZ3-CD1 4.35Å; P30-I71 HydrophobicContact CB-CD1 3.97Å; P30-I71 HydrophobicContact CG-CD1 3.93Å; L32-I71 HydrophobicContact CD1-CD1 4.25Å; L32-I71 HydrophobicContact CD1-CG1 4.36Å; R54-I71 HydrophobicContact CB-CG2 4.42Å; L55-I71 CarbonylContact O-C 3.54Å; L55-I71 VanDerWaalsContact O-CA 3.31Å; L55-I71 WeakPolarHBondContact O-CA 3.28Å; C56-I71 HydrophobicContact CB-CG1 4.3Å; I71-M73 HydrophobicContact CG2-CG 4.07Å; I71-S735 CarbonylContact O-C 3.6Å; I71-S735 WeakPolarHBondContact O-CA 3.21Å; I71-L736 PolarHBondContact N-O 2.88Å; I71-L736 PolarHBondContact O-N 2.95Å; I71-F738 HydrophobicContact CB-CE2 4.43Å; I71-F738 HydrophobicContact CD1-CE1 4.11Å; I71-F738 HydrophobicContact CD1-CE2 3.88Å; I71-F738 HydrophobicContact CD1-CZ 3.32Å; I71-F738 HydrophobicContact CG1-CE2 3.6Å; I71-F738 HydrophobicContact CG1-CZ 3.6Å |
| 72 | F | 86.4 | Confident | 81.6 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 137.9 | 171.6 | -38.9 | -59.1 | 0 | 0 | 0 | 110.8 | R54 L55 L57 H70 W106 G110 V734 S735 | R54-F72 WeakPolarHBondContact CA-O 3.34Å; L55-F72 HydrophobicContact CB-CB 4.08Å; L55-F72 HydrophobicContact CB-CD2 3.86Å; L55-F72 HydrophobicContact CB-CG 4.44Å; L55-F72 PolarHBondContact N-O 3.27Å; L55-F72 PolarHBondContact O-N 3.09Å; L57-F72 HydrophobicContact CB-CE2 3.71Å; L57-F72 HydrophobicContact CB-CZ 3.72Å; L57-F72 HydrophobicContact CD2-CZ 4.15Å; H70-F72 HydrophobicContact CB-CD1 4.18Å; H70-F72 HydrophobicContact CB-CE1 3.36Å; H70-F72 HydrophobicContact CB-CZ 3.7Å; F72-W106 HydrophobicContact CB-CE3 4.47Å; F72-W106 HydrophobicContact CB-CH2 4.16Å; F72-W106 HydrophobicContact CB-CZ3 3.79Å; F72-W106 HydrophobicContact CG-CZ3 4.39Å; F72-G110 VanDerWaalsContact CD1-CA 3.43Å; F72-V734 CarbonylContact C-O 3.6Å; F72-V734 VanDerWaalsContact CA-O 3.3Å; F72-V734 WeakPolarHBondContact CA-O 3.36Å; F72-S735 VanDerWaalsContact CD1-OG 3.32Å; F72-S735 WeakPolarHBondContact CD1-OG 3.34Å; F72-S735 VanDerWaalsContact CE1-OG 3.23Å; F72-S735 WeakPolarHBondContact CE1-OG 3.33Å |
| 73 | M | 82.6 | Confident | 82.7 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 119.2 | 179.9 | -51.2 | 175.2 | 84.9 | 0 | 0 | 108.4 | I4 L6 I71 I624 H733 V734 L736 | I4-M73 HydrophobicContact CD1-CE 3.48Å; I4-M73 VanDerWaalsContact CD1-CE 3.48Å; I4-M73 HydrophobicContact CG2-CE 4.08Å; L6-M73 HydrophobicContact CD1-CB 3.94Å; L6-M73 HydrophobicContact CD1-CE 3.75Å; L6-M73 HydrophobicContact CD1-SD 4.28Å; L6-M73 HydrophobicContact CD2-CE 4.16Å; L6-M73 HydrophobicContact CG-CE 4.17Å; I71-M73 HydrophobicContact CG2-CG 4.07Å; M73-I624 HydrophobicContact CE-CD1 3.92Å; M73-I624 HydrophobicContact CE-CG1 4.07Å; M73-I624 HydrophobicContact CE-CG2 3.68Å; M73-I624 HydrophobicContact SD-CD1 3.55Å; M73-I624 VanDerWaalsContact SD-CD1 3.55Å; M73-I624 HydrophobicContact SD-CG1 4.31Å; M73-H733 WeakPolarHBondContact O-CA 3.25Å; M73-V734 HydrophobicContact CB-CB 4.28Å; M73-V734 PolarHBondContact N-O 3.26Å; M73-V734 PolarHBondContact O-N 3.12Å; M73-L736 HydrophobicContact SD-CD1 4.08Å |
| 74 | G | 77.2 | Confident | 83.7 | Confident | 17 Ų | 17 | 22.8 Ų | 22.8 | 18% | 0.175 | 14% | 0.137 | C | C | . | . | trans | -168.2 | -10.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | H733 | G74-H733 WeakPolarHBondContact CA-ND1 3.46Å; G74-H733 PolarHBondContact O-CE1 2.86Å | ||
| 75 | H | 83.8 | Confident | 84.8 | Confident | 10 Ų | 10 | 22.6 Ų | 22.6 | 5% | 0.046 | 14% | 0.137 | C | C | . | . | trans | -106.3 | 134.6 | 170.3 | -65.4 | -90.8 | 0 | 0 | 0 | 108.6 | S77 I79 V96 D98 T104 W106 | H75-S77 VanDerWaalsContact C-N 3.26Å; H75-I79 HydrophobicContact CB-CD1 3.6Å; H75-V96 WeakPolarHBondContact NE2-CG1 3.2Å; H75-D98 HydrophobicContact CB-CB 4.17Å; H75-D98 IonicContact CE1-OD2 3.36Å; H75-D98 IonicContact CG-OD2 2.7Å; H75-D98 IonicContact ND1-OD2 3.92Å; H75-D98 PolarHBondContact ND1-OD2 2.89Å; H75-T104 PolarHBondContact CE1-OG1 3.43Å; H75-T104 PolarHBondContact NE2-OG1 3.03Å; H75-W106 AromaticContact CD2-CZ2 3.88Å; H75-W106 AromaticContact CD2-NE1 3.92Å; H75-W106 AromaticContact NE2-CE2 3.78Å; H75-W106 AromaticContact NE2-CZ2 3.89Å; H75-W106 AromaticContact NE2-NE1 3.1Å; H75-W106 PolarHBondContact NE2-NE1 3.06Å | ||
| 76 | A | 78.1 | Confident | 85.2 | Confident | 76 Ų | 76 | 20.5 Ų | 20.5 | 63% | 0.628 | 13% | 0.131 | S | C | * | . | S | Bend | trans | -89.4 | 5.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 77 | S | 86.8 | Confident | 85 | Confident | 29 Ų | 29 | 20.7 Ų | 20.7 | 20% | 0.203 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -143.8 | 163.3 | -174.7 | -150.3 | 0 | 0 | 0 | 0 | 111.1 | G53 H75 I79 | G53-S77 WeakPolarHBondContact CA-O 3.21Å; H75-S77 VanDerWaalsContact C-N 3.26Å; S77-I79 PolarHBondContact O-N 2.83Å |
| 78 | A | 91.2 | Very high | 84.4 | Confident | 6 Ų | 6 | 21 Ų | 21 | 5% | 0.05 | 13% | 0.134 | C | C | . | . | trans | -51.7 | 130.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S51 L80 D98 R99 | S51-A78 WeakPolarHBondContact O-CA 3.37Å; S51-A78 WeakPolarHBondContact O-CB 3.35Å; A78-L80 PolarHBondContact O-N 3.48Å; A78-D98 CarbonylContact O-C 3.39Å; A78-D98 VanDerWaalsContact O-CA 3.3Å; A78-D98 WeakPolarHBondContact O-CA 3.43Å; A78-R99 HydrophobicContact CB-CB 4.35Å; A78-R99 PolarHBondContact O-N 3.5Å | ||
| 79 | I | 92.3 | Very high | 83 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 128.6 | 173.6 | -52.7 | -54.2 | 0 | 0 | 0 | 108.6 | T35 S36 S50 L55 H75 S77 M82 V96 D98 | T35-I79 WeakPolarHBondContact CB-O 3.18Å; T35-I79 PolarHBondContact OG1-O 3.19Å; S36-I79 VanDerWaalsContact OG-CG2 3.31Å; S36-I79 WeakPolarHBondContact OG-CG2 3.39Å; S50-I79 PolarHBondContact O-N 2.76Å; L55-I79 HydrophobicContact CD2-CD1 4.15Å; L55-I79 HydrophobicContact CD2-CG1 3.92Å; L55-I79 HydrophobicContact CD2-CG2 4.44Å; H75-I79 HydrophobicContact CB-CD1 3.6Å; S77-I79 PolarHBondContact O-N 2.83Å; I79-M82 HydrophobicContact CG2-CG 3.86Å; I79-M82 HydrophobicContact CG2-SD 4.25Å; I79-V96 HydrophobicContact CD1-CG1 3.86Å; I79-V96 HydrophobicContact CG2-CG1 3.87Å; I79-D98 HydrophobicContact CD1-CB 4.31Å |
| 80 | L | 91.4 | Very high | 81.7 | Confident | 32 Ų | 32 | 27.8 Ų | 27.8 | 17% | 0.168 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -49.8 | -179.4 | -65.2 | 178.7 | 0 | 0 | 0 | 111.4 | A78 S97 D98 R99 L122 M124 | A78-L80 PolarHBondContact O-N 3.48Å; L80-S97 PolarHBondContact N-O 3.39Å; L80-D98 WeakPolarHBondContact CD1-O 3.29Å; L80-R99 HydrophobicContact CD1-CB 4.37Å; L80-R99 HydrophobicContact CD2-CB 4.16Å; L80-R99 HydrophobicContact CG-CB 4.27Å; L80-L122 HydrophobicContact CD1-CB 4.23Å; L80-M124 HydrophobicContact CD1-SD 3.75Å; L80-M124 HydrophobicContact CD2-CE 4.48Å; L80-M124 HydrophobicContact CD2-SD 4.29Å; L80-M124 HydrophobicContact CG-SD 4.44Å |
| 81 | C | 91 | Very high | 80.5 | Confident | 11 Ų | 11 | 33.8 Ų | 33.8 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 160.8 | -179.5 | 65.1 | 0 | 0 | 0 | 0 | 111.9 | S97 A123 M124 M126 | C81-S97 PolarHBondContact O-N 2.92Å; C81-A123 PolarHBondContact SG-O 2.86Å; C81-M124 VanDerWaalsContact CB-O 3.31Å; C81-M124 WeakPolarHBondContact CB-O 3.33Å; C81-M124 VanDerWaalsContact SG-C 3.56Å; C81-M126 WeakPolarHBondContact O-CE 3.28Å |
| 82 | M | 91.6 | Very high | 79.8 | Confident | 16 Ų | 16 | 33.7 Ų | 33.7 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 152.4 | -179.1 | -59.2 | -172.3 | -64.8 | 0 | 0 | 110.8 | S36 C38 I47 L55 I79 A95 V96 | S36-M82 WeakPolarHBondContact O-CE 3.49Å; S36-M82 WeakPolarHBondContact OG-CE 3.47Å; C38-M82 HydrophobicContact CB-CB 4.11Å; C38-M82 HydrophobicContact CB-CE 4.24Å; I47-M82 HydrophobicContact CG2-CE 4.27Å; I47-M82 HydrophobicContact CG2-SD 4.07Å; I47-M82 VanDerWaalsContact O-CE 3.31Å; I47-M82 WeakPolarHBondContact O-CE 3.41Å; L55-M82 HydrophobicContact CD2-SD 3.55Å; L55-M82 VanDerWaalsContact CD2-SD 3.55Å; I79-M82 HydrophobicContact CG2-CG 3.86Å; I79-M82 HydrophobicContact CG2-SD 4.25Å; M82-A95 CarbonylContact C-O 3.53Å; M82-A95 VanDerWaalsContact CA-O 3.23Å; M82-A95 WeakPolarHBondContact CA-O 3.5Å; M82-V96 HydrophobicContact CG-CB 4.35Å; M82-V96 HydrophobicContact CG-CG1 4.09Å; M82-V96 HydrophobicContact CG-CG2 3.97Å; M82-V96 HydrophobicContact SD-CG1 4.41Å; M82-V96 HydrophobicContact SD-CG2 4.04Å |
| 83 | T | 89.4 | Confident | 79.6 | Confident | 18 Ų | 18 | 35.5 Ų | 35.5 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 149.8 | 176.5 | -163.3 | 0 | 0 | 0 | 0 | 111.8 | C38 C94 A95 M126 V128 M141 | C38-T83 VanDerWaalsContact SG-CA 3.57Å; T83-C94 CarbonylContact O-C 3.59Å; T83-C94 WeakPolarHBondContact O-CA 3.34Å; T83-C94 WeakPolarHBondContact O-CB 3.22Å; T83-A95 HydrophobicContact CG2-CB 4.03Å; T83-A95 PolarHBondContact N-O 2.98Å; T83-A95 PolarHBondContact O-N 2.85Å; T83-M126 HydrophobicContact CG2-CB 3.67Å; T83-M126 HydrophobicContact CG2-CE 4.26Å; T83-V128 HydrophobicContact CG2-CG2 3.6Å; T83-M141 HydrophobicContact CG2-CG 4.45Å; T83-M141 HydrophobicContact CG2-SD 4.01Å |
| 84 | V | 87.6 | Confident | 79.9 | Confident | 32 Ų | 32 | 35.4 Ų | 35.4 | 19% | 0.194 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 122.4 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | C38 L39 L40 N86 D87 V128 | C38-V84 WeakPolarHBondContact SG-CG2 3.01Å; C38-V84 PolarHBondContact SG-N 3.2Å; L39-V84 WeakPolarHBondContact O-CG2 3.05Å; L40-V84 HydrophobicContact CG-CG2 4.31Å; V84-N86 VanDerWaalsContact CG1-O 3.3Å; V84-N86 WeakPolarHBondContact CG1-O 3.45Å; V84-D87 HydrophobicContact CG1-CB 4.03Å; V84-V128 WeakPolarHBondContact O-CB 3.44Å; V84-V128 WeakPolarHBondContact O-CG2 3.2Å |
| 85 | V | 87 | Confident | 80.5 | Confident | 25 Ų | 25 | 34.6 Ų | 34.6 | 15% | 0.152 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -39.8 | 174 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | H93 A95 L105 V128 M141 A155 | V85-H93 WeakPolarHBondContact CA-O 3.44Å; V85-H93 HydrophobicContact CB-CB 4.21Å; V85-H93 PolarHBondContact N-O 2.81Å; V85-A95 HydrophobicContact CG2-CB 3.89Å; V85-L105 HydrophobicContact CB-CD1 3.94Å; V85-L105 HydrophobicContact CG1-CD1 4.2Å; V85-L105 HydrophobicContact CG2-CD1 3.63Å; V85-V128 HydrophobicContact CG2-CG2 3.9Å; V85-M141 HydrophobicContact CG2-SD 4.41Å; V85-A155 HydrophobicContact CG1-CB 3.67Å; V85-A155 HydrophobicContact CG2-CB 4.5Å |
| 86 | N | 80.1 | Confident | 80.9 | Confident | 66 Ų | 66 | 34.1 Ų | 34.1 | 35% | 0.353 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 132.6 | 176.2 | -176.4 | -21.2 | 0 | 0 | 0 | 108.3 | V84 S88 Y91 G92 H93 | V84-N86 VanDerWaalsContact CG1-O 3.3Å; V84-N86 WeakPolarHBondContact CG1-O 3.45Å; N86-S88 WeakPolarHBondContact OD1-CB 3.34Å; N86-S88 PolarHBondContact OD1-N 2.79Å; N86-S88 PolarHBondContact OD1-OG 2.83Å; N86-Y91 WeakPolarHBondContact CB-O 2.99Å; N86-Y91 PolarHBondContact ND2-O 2.85Å; N86-Y91 VanDerWaalsContact ND2-O 3.11Å; N86-G92 CarbonylContact O-C 3.55Å; N86-G92 WeakPolarHBondContact O-CA 3.27Å; N86-H93 HydrophobicContact CB-CB 4.41Å; N86-H93 PolarHBondContact N-O 3.17Å; N86-H93 PolarHBondContact O-N 2.66Å |
| 87 | D | 71.3 | Confident | 81.6 | Confident | 24 Ų | 24 | 30.6 Ų | 30.6 | 13% | 0.128 | 16% | 0.164 | C | C | . | . | trans | -104 | 16.9 | -176.5 | -163.6 | 20.6 | 0 | 0 | 0 | 113.1 | L40 R41 H42 H43 V84 | L40-D87 WeakPolarHBondContact CA-OD1 3.49Å; L40-D87 WeakPolarHBondContact CB-OD1 3.16Å; R41-D87 WeakPolarHBondContact CB-OD2 3.34Å; R41-D87 PolarHBondContact N-OD1 2.89Å; R41-D87 VanDerWaalsContact N-OD1 3.12Å; R41-D87 PolarHBondContact N-OD2 2.96Å; H42-D87 IonicContact CD2-OD2 3.01Å; H42-D87 PolarHBondContact CD2-OD2 2.86Å; H42-D87 VanDerWaalsContact CD2-OD2 3.27Å; H42-D87 IonicContact CG-OD2 3.42Å; H42-D87 PolarHBondContact N-OD2 3.36Å; H43-D87 PolarHBondContact NE2-O 3.46Å; V84-D87 HydrophobicContact CG1-CB 4.03Å | ||
| 88 | S | 66.7 | Low | 81.8 | Confident | 33 Ų | 33 | 29.2 Ų | 29.2 | 23% | 0.231 | 15% | 0.154 | C | C | . | . | trans | -74.6 | 146.9 | 176.3 | 65 | 0 | 0 | 0 | 0 | 112.1 | N86 S90 Y91 G92 | N86-S88 WeakPolarHBondContact OD1-CB 3.34Å; N86-S88 PolarHBondContact OD1-N 2.79Å; N86-S88 PolarHBondContact OD1-OG 2.83Å; S88-S90 PolarHBondContact O-N 3.04Å; S88-Y91 VanDerWaalsContact OG-CA 3.3Å; S88-Y91 WeakPolarHBondContact OG-CA 3.39Å; S88-Y91 WeakPolarHBondContact OG-CB 3.23Å; S88-Y91 PolarHBondContact OG-N 3.34Å; S88-Y91 PolarHBondContact OG-O 3.25Å; S88-G92 WeakPolarHBondContact O-CA 3.11Å; S88-G92 PolarHBondContact O-N 2.58Å; S88-G92 PolarHBondContact OG-N 3.24Å | ||
| 89 | I | 55.6 | Low | 81.8 | Confident | 109 Ų | 109 | 36 Ų | 36 | 56% | 0.559 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -43 | 170.7 | -53.8 | 176.9 | 0 | 0 | 0 | 110.5 | H43 | H43-I89 WeakPolarHBondContact CE1-CD1 3.43Å; H43-I89 WeakPolarHBondContact CE1-CG1 3.27Å; H43-I89 VanDerWaalsContact ND1-CG1 3.27Å; H43-I89 WeakPolarHBondContact ND1-CG1 3.28Å; H43-I89 WeakPolarHBondContact NE2-CG1 3.2Å; H43-I89 PolarHBondContact NE2-N 2.87Å |
| 90 | S | 53.6 | Low | 81.4 | Confident | 47 Ų | 47 | 39.4 Ų | 39.4 | 33% | 0.329 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -27.6 | -168 | 44.9 | 0 | 0 | 0 | 0 | 112.4 | S88 K865 | S88-S90 PolarHBondContact O-N 3.04Å; S90-K865 WeakPolarHBondContact O-CE 3.48Å; S90-K865 PolarHBondContact O-NZ 2.84Å |
| 91 | Y | 60 | Low | 81.2 | Confident | 145 Ų | 145 | 38 Ų | 38 | 57% | 0.569 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -145.1 | 39.9 | -175.7 | -52.5 | -75.4 | 0 | 0 | 0 | 109.7 | N86 S88 H93 | N86-Y91 WeakPolarHBondContact CB-O 2.99Å; N86-Y91 PolarHBondContact ND2-O 2.85Å; N86-Y91 VanDerWaalsContact ND2-O 3.11Å; S88-Y91 VanDerWaalsContact OG-CA 3.3Å; S88-Y91 WeakPolarHBondContact OG-CA 3.39Å; S88-Y91 WeakPolarHBondContact OG-CB 3.23Å; S88-Y91 PolarHBondContact OG-N 3.34Å; S88-Y91 PolarHBondContact OG-O 3.25Å; Y91-H93 PolarHBondContact O-CE1 2.76Å; Y91-H93 VanDerWaalsContact O-CE1 3.29Å; Y91-H93 PolarHBondContact O-N 3.32Å; Y91-H93 PolarHBondContact O-ND1 3.01Å |
| 92 | G | 71.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -67.2 | 128.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | N86 S88 D107 C108 | N86-G92 CarbonylContact O-C 3.55Å; N86-G92 WeakPolarHBondContact O-CA 3.27Å; S88-G92 WeakPolarHBondContact O-CA 3.11Å; S88-G92 PolarHBondContact O-N 2.58Å; S88-G92 PolarHBondContact OG-N 3.24Å; G92-D107 CarbonylContact O-C 3.59Å; G92-D107 WeakPolarHBondContact O-CA 3.21Å; G92-C108 VanDerWaalsContact CA-SG 3.56Å; G92-C108 PolarHBondContact O-N 2.88Å; G92-C108 PolarHBondContact O-SG 3Å | ||
| 93 | H | 82.8 | Confident | 81.1 | Confident | 43 Ų | 43 | 39.4 Ų | 39.4 | 20% | 0.199 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 142.8 | 178.2 | -64.1 | 82.8 | 0 | 0 | 0 | 109.8 | V85 N86 Y91 L105 W106 | V85-H93 WeakPolarHBondContact CA-O 3.44Å; V85-H93 HydrophobicContact CB-CB 4.21Å; V85-H93 PolarHBondContact N-O 2.81Å; N86-H93 HydrophobicContact CB-CB 4.41Å; N86-H93 PolarHBondContact N-O 3.17Å; N86-H93 PolarHBondContact O-N 2.66Å; Y91-H93 PolarHBondContact O-CE1 2.76Å; Y91-H93 VanDerWaalsContact O-CE1 3.29Å; Y91-H93 PolarHBondContact O-N 3.32Å; Y91-H93 PolarHBondContact O-ND1 3.01Å; H93-L105 HydrophobicContact CB-CD1 3.88Å; H93-L105 HydrophobicContact CB-CG 4.26Å; H93-W106 CarbonylContact C-O 3.54Å; H93-W106 WeakPolarHBondContact CA-O 3.29Å; H93-W106 WeakPolarHBondContact CB-O 3.38Å |
| 94 | C | 87.9 | Confident | 81 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 141 | 169.6 | 62.7 | 0 | 0 | 0 | 0 | 110.6 | I47 T83 L105 W106 | I47-C94 HydrophobicContact CD1-CB 4.35Å; I47-C94 VanDerWaalsContact CD1-SG 3.59Å; T83-C94 CarbonylContact O-C 3.59Å; T83-C94 WeakPolarHBondContact O-CA 3.34Å; T83-C94 WeakPolarHBondContact O-CB 3.22Å; C94-L105 CarbonylContact O-C 3.58Å; C94-W106 PolarHBondContact N-O 2.86Å; C94-W106 PolarHBondContact O-N 2.83Å |
| 95 | A | 91 | Very high | 81 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 138.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | M82 T83 V85 L103 T104 L105 M126 M141 | M82-A95 CarbonylContact C-O 3.53Å; M82-A95 VanDerWaalsContact CA-O 3.23Å; M82-A95 WeakPolarHBondContact CA-O 3.5Å; T83-A95 HydrophobicContact CG2-CB 4.03Å; T83-A95 PolarHBondContact N-O 2.98Å; T83-A95 PolarHBondContact O-N 2.85Å; V85-A95 HydrophobicContact CG2-CB 3.89Å; A95-L103 HydrophobicContact CB-CD1 4.41Å; A95-T104 CarbonylContact C-O 3.58Å; A95-T104 VanDerWaalsContact CA-O 3.28Å; A95-T104 WeakPolarHBondContact CA-O 3.11Å; A95-L105 HydrophobicContact CB-CD1 4.42Å; A95-M126 HydrophobicContact CB-CE 4.21Å; A95-M126 HydrophobicContact CB-SD 4.41Å; A95-M126 WeakPolarHBondContact O-CE 3.42Å; A95-M141 HydrophobicContact CB-CE 4.17Å; A95-M141 HydrophobicContact CB-SD 3.39Å; A95-M141 WeakPolarHBondContact CB-SD 3.15Å |
| 96 | V | 91.6 | Very high | 80.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 127.2 | -174.9 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | L55 H75 I79 M82 L103 T104 W106 | L55-V96 HydrophobicContact CD1-CG1 4.34Å; L55-V96 HydrophobicContact CD1-CG2 3.97Å; L55-V96 HydrophobicContact CD2-CG1 3.99Å; L55-V96 HydrophobicContact CD2-CG2 4.44Å; H75-V96 WeakPolarHBondContact NE2-CG1 3.2Å; I79-V96 HydrophobicContact CD1-CG1 3.86Å; I79-V96 HydrophobicContact CG2-CG1 3.87Å; M82-V96 HydrophobicContact CG-CB 4.35Å; M82-V96 HydrophobicContact CG-CG1 4.09Å; M82-V96 HydrophobicContact CG-CG2 3.97Å; M82-V96 HydrophobicContact SD-CG1 4.41Å; M82-V96 HydrophobicContact SD-CG2 4.04Å; V96-L103 WeakPolarHBondContact O-CA 3.24Å; V96-T104 PolarHBondContact N-O 2.9Å; V96-T104 PolarHBondContact O-N 2.82Å; V96-T104 PolarHBondContact O-OG1 3.04Å; V96-W106 HydrophobicContact CG2-CG 4.3Å |
| 97 | S | 92.9 | Very high | 80.5 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 137.8 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | L80 C81 K102 A123 | L80-S97 PolarHBondContact N-O 3.39Å; C81-S97 PolarHBondContact O-N 2.92Å; S97-K102 WeakPolarHBondContact CA-O 3.35Å; S97-A123 PolarHBondContact OG-O 2.86Å |
| 98 | D | 91.5 | Very high | 80.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 170.5 | 175.4 | 72.6 | 34.8 | 0 | 0 | 0 | 113.5 | H75 A78 I79 L80 S100 G101 K102 | H75-D98 HydrophobicContact CB-CB 4.17Å; H75-D98 IonicContact CE1-OD2 3.36Å; H75-D98 IonicContact CG-OD2 2.7Å; H75-D98 IonicContact ND1-OD2 3.92Å; H75-D98 PolarHBondContact ND1-OD2 2.89Å; A78-D98 CarbonylContact O-C 3.39Å; A78-D98 VanDerWaalsContact O-CA 3.3Å; A78-D98 WeakPolarHBondContact O-CA 3.43Å; I79-D98 HydrophobicContact CD1-CB 4.31Å; L80-D98 WeakPolarHBondContact CD1-O 3.29Å; D98-S100 PolarHBondContact O-N 3.36Å; D98-S100 WeakPolarHBondContact OD1-CA 3.22Å; D98-S100 VanDerWaalsContact OD1-CB 3.27Å; D98-S100 WeakPolarHBondContact OD1-CB 3.49Å; D98-S100 PolarHBondContact OD1-N 3.25Å; D98-S100 PolarHBondContact OD1-OG 3.33Å; D98-S100 PolarHBondContact OD2-OG 3.48Å; D98-G101 PolarHBondContact O-N 2.95Å; D98-G101 PolarHBondContact OD1-N 3.42Å; D98-K102 PolarHBondContact N-O 2.84Å; D98-K102 VanDerWaalsContact N-O 3.09Å; D98-K102 PolarHBondContact OD1-N 3.32Å |
| 99 | R | 92.1 | Very high | 80.2 | Confident | 149 Ų | 149 | 32.5 Ų | 32.5 | 56% | 0.562 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -12.9 | -178.5 | -175.2 | -177.9 | -67.1 | -178 | 0.2 | 114.3 | A78 L80 G101 L122 | A78-R99 HydrophobicContact CB-CB 4.35Å; A78-R99 PolarHBondContact O-N 3.5Å; L80-R99 HydrophobicContact CD1-CB 4.37Å; L80-R99 HydrophobicContact CD2-CB 4.16Å; L80-R99 HydrophobicContact CG-CB 4.27Å; R99-G101 PolarHBondContact O-N 3.07Å; R99-L122 WeakPolarHBondContact O-CD2 3.27Å |
| 100 | S | 83.9 | Confident | 80.3 | Confident | 73 Ų | 73 | 27.4 Ų | 27.4 | 51% | 0.51 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -5.5 | 171.1 | 77.9 | 0 | 0 | 0 | 0 | 112.9 | D98 K102 | D98-S100 PolarHBondContact O-N 3.36Å; D98-S100 WeakPolarHBondContact OD1-CA 3.22Å; D98-S100 VanDerWaalsContact OD1-CB 3.27Å; D98-S100 WeakPolarHBondContact OD1-CB 3.49Å; D98-S100 PolarHBondContact OD1-N 3.25Å; D98-S100 PolarHBondContact OD1-OG 3.33Å; D98-S100 PolarHBondContact OD2-OG 3.48Å; S100-K102 VanDerWaalsContact C-N 3.33Å |
| 101 | G | 86.8 | Confident | 80.7 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 84.9 | 8.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D98 R99 M119 | D98-G101 PolarHBondContact O-N 2.95Å; D98-G101 PolarHBondContact OD1-N 3.42Å; R99-G101 PolarHBondContact O-N 3.07Å; G101-M119 PolarHBondContact O-N 3.1Å |
| 102 | K | 88.5 | Confident | 80.5 | Confident | 57 Ų | 57 | 22.2 Ų | 22.2 | 25% | 0.248 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 122.8 | 178.3 | -168.7 | -173.7 | 179.5 | -172.7 | 0 | 109.9 | S97 D98 S100 T104 S116 | S97-K102 WeakPolarHBondContact CA-O 3.35Å; D98-K102 PolarHBondContact N-O 2.84Å; D98-K102 VanDerWaalsContact N-O 3.09Å; D98-K102 PolarHBondContact OD1-N 3.32Å; S100-K102 VanDerWaalsContact C-N 3.33Å; K102-T104 HydrophobicContact CD-CG2 4.06Å; K102-T104 HydrophobicContact CG-CG2 4.03Å; K102-S116 WeakPolarHBondContact CE-OG 3.44Å; K102-S116 WeakPolarHBondContact CG-OG 3.49Å |
| 103 | L | 90.5 | Very high | 79.9 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 131.9 | 170.4 | -178.5 | 61.4 | 0 | 0 | 0 | 108.9 | A95 V96 S116 K117 M119 M126 M141 L153 L158 | A95-L103 HydrophobicContact CB-CD1 4.41Å; V96-L103 WeakPolarHBondContact O-CA 3.24Å; L103-S116 CarbonylContact O-C 3.6Å; L103-S116 WeakPolarHBondContact O-CA 3.43Å; L103-S116 PolarHBondContact O-OG 2.91Å; L103-K117 WeakPolarHBondContact CB-O 3.42Å; L103-K117 PolarHBondContact N-O 2.86Å; L103-K117 PolarHBondContact O-N 2.87Å; L103-M119 HydrophobicContact CB-CG 3.98Å; L103-M119 HydrophobicContact CD2-CG 4.22Å; L103-M119 HydrophobicContact CD2-SD 4.03Å; L103-M126 HydrophobicContact CD1-CE 4.03Å; L103-M126 HydrophobicContact CD1-SD 3.45Å; L103-M126 WeakPolarHBondContact CD1-SD 3.32Å; L103-M141 HydrophobicContact CD1-CE 4.31Å; L103-M141 HydrophobicContact CD2-CE 3.69Å; L103-M141 HydrophobicContact CG-CE 4.37Å; L103-L153 HydrophobicContact CD2-CD1 3.72Å; L103-L158 HydrophobicContact CD2-CD1 4.32Å; L103-L158 HydrophobicContact CD2-CD2 4.19Å; L103-L158 HydrophobicContact CG-CD1 4.09Å; L103-L158 HydrophobicContact CG-CD2 4.48Å |
| 104 | T | 88.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.8 | -176.5 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | H75 A95 V96 K102 W106 S116 | H75-T104 PolarHBondContact CE1-OG1 3.43Å; H75-T104 PolarHBondContact NE2-OG1 3.03Å; A95-T104 CarbonylContact C-O 3.58Å; A95-T104 VanDerWaalsContact CA-O 3.28Å; A95-T104 WeakPolarHBondContact CA-O 3.11Å; V96-T104 PolarHBondContact N-O 2.9Å; V96-T104 PolarHBondContact O-N 2.82Å; V96-T104 PolarHBondContact O-OG1 3.04Å; K102-T104 HydrophobicContact CD-CG2 4.06Å; K102-T104 HydrophobicContact CG-CG2 4.03Å; T104-W106 VanDerWaalsContact OG1-CD1 3.28Å; T104-W106 PolarHBondContact OG1-NE1 3.28Å; T104-S116 VanDerWaalsContact CG2-OG 3.31Å; T104-S116 WeakPolarHBondContact CG2-OG 3.43Å |
| 105 | L | 87.2 | Confident | 78.1 | Confident | 10 Ų | 10 | 28.2 Ų | 28.2 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.4 | 171.5 | -178.3 | 73.9 | 0 | 0 | 0 | 108.9 | V85 H93 C94 A95 S113 V115 | V85-L105 HydrophobicContact CB-CD1 3.94Å; V85-L105 HydrophobicContact CG1-CD1 4.2Å; V85-L105 HydrophobicContact CG2-CD1 3.63Å; H93-L105 HydrophobicContact CB-CD1 3.88Å; H93-L105 HydrophobicContact CB-CG 4.26Å; C94-L105 CarbonylContact O-C 3.58Å; A95-L105 HydrophobicContact CB-CD1 4.42Å; L105-S113 WeakPolarHBondContact CB-OG 3.41Å; L105-S113 WeakPolarHBondContact CD2-OG 3.33Å; L105-S113 VanDerWaalsContact CG-OG 3.29Å; L105-S113 WeakPolarHBondContact CG-OG 3.43Å; L105-S113 WeakPolarHBondContact O-CA 3.49Å; L105-S113 VanDerWaalsContact O-CB 3.25Å; L105-S113 WeakPolarHBondContact O-CB 3.37Å; L105-S113 PolarHBondContact O-N 2.85Å; L105-S113 PolarHBondContact O-OG 3.45Å; L105-V115 PolarHBondContact N-O 2.85Å; L105-V115 VanDerWaalsContact N-O 3.08Å |
| 106 | W | 82.5 | Confident | 77.6 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 1% | 0.011 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 141.7 | 179.8 | -70.7 | 78.9 | 0 | 0 | 0 | 110.7 | L55 F72 H75 H93 C94 V96 T104 C112 H733 | L55-W106 HydrophobicContact CD1-CD2 3.93Å; L55-W106 HydrophobicContact CD1-CE3 4.42Å; L55-W106 HydrophobicContact CD1-CG 4.26Å; L55-W106 HydrophobicContact CD1-CZ2 4.1Å; F72-W106 HydrophobicContact CB-CE3 4.47Å; F72-W106 HydrophobicContact CB-CH2 4.16Å; F72-W106 HydrophobicContact CB-CZ3 3.79Å; F72-W106 HydrophobicContact CG-CZ3 4.39Å; H75-W106 AromaticContact CD2-CZ2 3.88Å; H75-W106 AromaticContact CD2-NE1 3.92Å; H75-W106 AromaticContact NE2-CE2 3.78Å; H75-W106 AromaticContact NE2-CZ2 3.89Å; H75-W106 AromaticContact NE2-NE1 3.1Å; H75-W106 PolarHBondContact NE2-NE1 3.06Å; H93-W106 CarbonylContact C-O 3.54Å; H93-W106 WeakPolarHBondContact CA-O 3.29Å; H93-W106 WeakPolarHBondContact CB-O 3.38Å; C94-W106 PolarHBondContact N-O 2.86Å; C94-W106 PolarHBondContact O-N 2.83Å; V96-W106 HydrophobicContact CG2-CG 4.3Å; T104-W106 VanDerWaalsContact OG1-CD1 3.28Å; T104-W106 PolarHBondContact OG1-NE1 3.28Å; W106-C112 HydrophobicContact CD2-CB 4.3Å; W106-C112 HydrophobicContact CE3-CB 4.23Å; W106-C112 HydrophobicContact CZ3-CB 4.33Å; W106-H733 HydrophobicContact CH2-CB 3.8Å; W106-H733 AromaticContact CH2-CG 3.84Å; W106-H733 HydrophobicContact CZ3-CB 4.14Å |
| 107 | D | 74.8 | Confident | 77.2 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 5% | 0.053 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 140.4 | 162.7 | 167 | -0.9 | 0 | 0 | 0 | 108.8 | G92 L109 G110 R111 | G92-D107 CarbonylContact O-C 3.59Å; G92-D107 WeakPolarHBondContact O-CA 3.21Å; D107-L109 PolarHBondContact O-N 3.26Å; D107-L109 WeakPolarHBondContact OD1-CB 3.37Å; D107-L109 PolarHBondContact OD1-N 3.17Å; D107-G110 PolarHBondContact O-N 3.44Å; D107-R111 HydrophobicContact CB-CB 4.23Å; D107-R111 WeakPolarHBondContact CB-O 3.37Å; D107-R111 PolarHBondContact N-O 2.58Å; D107-R111 IonicContact OD2-CZ 3.5Å; D107-R111 VanDerWaalsContact OD2-CZ 3.23Å; D107-R111 IonicContact OD2-NE 2.74Å; D107-R111 PolarHBondContact OD2-NE 3.15Å; D107-R111 IonicContact OD2-NH2 2.82Å; D107-R111 PolarHBondContact OD2-NH2 3.23Å |
| 108 | C | 67.1 | Low | 76.9 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -17 | 178.7 | 62.9 | 0 | 0 | 0 | 0 | 114 | L40 L57 G92 G110 | L40-C108 HydrophobicContact CD2-CB 3.71Å; L57-C108 WeakPolarHBondContact CD2-O 3.42Å; G92-C108 VanDerWaalsContact CA-SG 3.56Å; G92-C108 PolarHBondContact O-N 2.88Å; G92-C108 PolarHBondContact O-SG 3Å; C108-G110 VanDerWaalsContact C-N 3.26Å; C108-G110 PolarHBondContact O-N 3.25Å |
| 109 | L | 63.6 | Low | 76.6 | Confident | 24 Ų | 24 | 39.3 Ų | 39.3 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 7 | 171.2 | -60.5 | 179.5 | 0 | 0 | 0 | 114.1 | D107 L757 | D107-L109 PolarHBondContact O-N 3.26Å; D107-L109 WeakPolarHBondContact OD1-CB 3.37Å; D107-L109 PolarHBondContact OD1-N 3.17Å; L109-L757 WeakPolarHBondContact CD1-O 3.38Å; L109-L757 HydrophobicContact CD2-CB 3.7Å |
| 110 | G | 59 | Low | 76 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 85.9 | 7.6 | 175 | 0 | 0 | 0 | 0 | 0 | 115.8 | F72 D107 C108 | F72-G110 VanDerWaalsContact CD1-CA 3.43Å; D107-G110 PolarHBondContact O-N 3.44Å; C108-G110 VanDerWaalsContact C-N 3.26Å; C108-G110 PolarHBondContact O-N 3.25Å |
| 111 | R | 62.1 | Low | 75.9 | Confident | 69 Ų | 69 | 40.1 Ų | 40.1 | 26% | 0.26 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -85.2 | 127.3 | 171.6 | -59.1 | 179.9 | -65.7 | 178.5 | 5.6 | 106.8 | D107 S113 F727 S760 | D107-R111 HydrophobicContact CB-CB 4.23Å; D107-R111 WeakPolarHBondContact CB-O 3.37Å; D107-R111 PolarHBondContact N-O 2.58Å; D107-R111 IonicContact OD2-CZ 3.5Å; D107-R111 VanDerWaalsContact OD2-CZ 3.23Å; D107-R111 IonicContact OD2-NE 2.74Å; D107-R111 PolarHBondContact OD2-NE 3.15Å; D107-R111 IonicContact OD2-NH2 2.82Å; D107-R111 PolarHBondContact OD2-NH2 3.23Å; R111-S113 PolarHBondContact O-N 2.84Å; R111-F727 HydrophobicContact CG-CE1 4.05Å; R111-S760 PolarHBondContact NH1-OG 3.05Å |
| 112 | C | 55.2 | Low | 75.9 | Confident | 14 Ų | 14 | 42.4 Ų | 42.4 | 10% | 0.095 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 131.6 | 162.6 | -166.5 | 0 | 0 | 0 | 0 | 107.3 | W106 H733 | W106-C112 HydrophobicContact CD2-CB 4.3Å; W106-C112 HydrophobicContact CE3-CB 4.23Å; W106-C112 HydrophobicContact CZ3-CB 4.33Å; C112-H733 HydrophobicContact CB-CB 4.39Å; C112-H733 WeakPolarHBondContact CB-CD2 2.98Å |
| 113 | S | 57.9 | Low | 75.9 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 15% | 0.154 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 152.7 | 164 | 82.4 | 0 | 0 | 0 | 0 | 108.2 | L105 R111 V115 | L105-S113 WeakPolarHBondContact CB-OG 3.41Å; L105-S113 WeakPolarHBondContact CD2-OG 3.33Å; L105-S113 VanDerWaalsContact CG-OG 3.29Å; L105-S113 WeakPolarHBondContact CG-OG 3.43Å; L105-S113 WeakPolarHBondContact O-CA 3.49Å; L105-S113 VanDerWaalsContact O-CB 3.25Å; L105-S113 WeakPolarHBondContact O-CB 3.37Å; L105-S113 PolarHBondContact O-N 2.85Å; L105-S113 PolarHBondContact O-OG 3.45Å; R111-S113 PolarHBondContact O-N 2.84Å; S113-V115 PolarHBondContact O-N 3.44Å |
| 114 | L | 59.2 | Low | 75.7 | Confident | 107 Ų | 107 | 44 Ų | 44 | 56% | 0.56 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 10.3 | -173.5 | -69.7 | 164.7 | 0 | 0 | 0 | 115.1 | ||
| 115 | V | 74.6 | Confident | 75.8 | Confident | 42 Ų | 42 | 45.5 Ų | 45.5 | 26% | 0.255 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 111.2 | -173.3 | -167 | 0 | 0 | 0 | 0 | 109.9 | L105 S113 T157 L158 | L105-V115 PolarHBondContact N-O 2.85Å; L105-V115 VanDerWaalsContact N-O 3.08Å; S113-V115 PolarHBondContact O-N 3.44Å; V115-T157 WeakPolarHBondContact CG1-O 3.35Å; V115-L158 HydrophobicContact CG1-CB 4.16Å; V115-L158 HydrophobicContact CG1-CD1 3.82Å; V115-L158 HydrophobicContact CG1-CG 3.7Å |
| 116 | S | 80.8 | Confident | 76 | Confident | 57 Ų | 57 | 45.6 Ų | 45.6 | 40% | 0.399 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148 | 169.2 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | K102 L103 T104 | K102-S116 WeakPolarHBondContact CE-OG 3.44Å; K102-S116 WeakPolarHBondContact CG-OG 3.49Å; L103-S116 CarbonylContact O-C 3.6Å; L103-S116 WeakPolarHBondContact O-CA 3.43Å; L103-S116 PolarHBondContact O-OG 2.91Å; T104-S116 VanDerWaalsContact CG2-OG 3.31Å; T104-S116 WeakPolarHBondContact CG2-OG 3.43Å |
| 117 | K | 83.7 | Confident | 76.3 | Confident | 52 Ų | 52 | 46.3 Ų | 46.3 | 23% | 0.226 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 131.2 | 179.8 | -179.7 | 176.6 | 178.4 | -171.8 | 0 | 109.6 | L103 M119 L158 N160 | L103-K117 WeakPolarHBondContact CB-O 3.42Å; L103-K117 PolarHBondContact N-O 2.86Å; L103-K117 PolarHBondContact O-N 2.87Å; K117-M119 HydrophobicContact CD-SD 3.82Å; K117-M119 HydrophobicContact CG-SD 4.15Å; K117-L158 HydrophobicContact CB-CB 4.24Å; K117-L158 HydrophobicContact CB-CD1 4.14Å; K117-L158 HydrophobicContact CD-CB 4.17Å; K117-L158 WeakPolarHBondContact CD-O 3.15Å; K117-L158 PolarHBondContact NZ-O 2.97Å; K117-N160 PolarHBondContact NZ-OD1 2.9Å |
| 118 | T | 85.6 | Confident | 77 | Confident | 109 Ų | 109 | 47.4 Ų | 47.4 | 67% | 0.669 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 121.9 | 165.4 | -53.9 | 0 | 0 | 0 | 0 | 107.8 | ||
| 119 | M | 85.5 | Confident | 77.9 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | trans | -90.3 | 141.2 | 179.8 | -63.1 | -70.7 | -69.1 | 0 | 0 | 109.6 | G101 L103 K117 H121 L151 L153 | G101-M119 PolarHBondContact O-N 3.1Å; L103-M119 HydrophobicContact CB-CG 3.98Å; L103-M119 HydrophobicContact CD2-CG 4.22Å; L103-M119 HydrophobicContact CD2-SD 4.03Å; K117-M119 HydrophobicContact CD-SD 3.82Å; K117-M119 HydrophobicContact CG-SD 4.15Å; M119-H121 WeakPolarHBondContact CB-O 3.43Å; M119-H121 PolarHBondContact O-N 3.08Å; M119-L151 HydrophobicContact CE-CD1 3.63Å; M119-L153 HydrophobicContact CE-CD1 4.17Å; M119-L153 HydrophobicContact SD-CD1 4.21Å | ||
| 120 | D | 78.9 | Confident | 78.8 | Confident | 157 Ų | 157 | 53.7 Ų | 53.7 | 84% | 0.84 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -64.9 | -22.6 | 173.9 | -58.9 | -40.2 | 0 | 0 | 0 | 112.1 | ||
| 121 | H | 81.9 | Confident | 79.7 | Confident | 81 Ų | 81 | 53.6 Ų | 53.6 | 38% | 0.375 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -128.9 | 141.9 | 178.3 | -56.2 | -39.3 | 0 | 0 | 0 | 110.4 | M119 A123 H147 | M119-H121 WeakPolarHBondContact CB-O 3.43Å; M119-H121 PolarHBondContact O-N 3.08Å; H121-A123 PolarHBondContact O-N 3.48Å; H121-H147 AromaticContact CD2-CD2 3.96Å; H121-H147 AromaticContact CD2-CG 3.81Å; H121-H147 AromaticContact NE2-CD2 3.6Å; H121-H147 AromaticContact NE2-CG 3.93Å |
| 122 | L | 86.8 | Confident | 80.2 | Confident | 52 Ų | 52 | 53.5 Ų | 53.5 | 27% | 0.272 | 29% | 0.294 | S | S | . | . | trans | -65.7 | 119 | 178.7 | -62.9 | 178.3 | 0 | 0 | 0 | 110.3 | L80 R99 M124 G145 | L80-L122 HydrophobicContact CD1-CB 4.23Å; R99-L122 WeakPolarHBondContact O-CD2 3.27Å; L122-M124 HydrophobicContact CB-SD 4.39Å; L122-M124 PolarHBondContact O-N 3.45Å; L122-G145 WeakPolarHBondContact O-CA 3.47Å | ||
| 123 | A | 88.6 | Confident | 80.6 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 114 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | C81 S97 H121 M126 C143 T144 | C81-A123 PolarHBondContact SG-O 2.86Å; S97-A123 PolarHBondContact OG-O 2.86Å; H121-A123 PolarHBondContact O-N 3.48Å; A123-M126 HydrophobicContact CB-CG 4.42Å; A123-C143 HydrophobicContact CB-CB 4.21Å; A123-T144 CarbonylContact C-O 3.31Å; A123-T144 WeakPolarHBondContact CA-O 3.46Å |
| 124 | M | 87.5 | Confident | 80.8 | Confident | 87 Ų | 87 | 57.7 Ų | 57.7 | 43% | 0.429 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -24.5 | -178.3 | -63.3 | -61.5 | -61.9 | 0 | 0 | 112.3 | L80 C81 L122 T144 | L80-M124 HydrophobicContact CD1-SD 3.75Å; L80-M124 HydrophobicContact CD2-CE 4.48Å; L80-M124 HydrophobicContact CD2-SD 4.29Å; L80-M124 HydrophobicContact CG-SD 4.44Å; C81-M124 VanDerWaalsContact CB-O 3.31Å; C81-M124 WeakPolarHBondContact CB-O 3.33Å; C81-M124 VanDerWaalsContact SG-C 3.56Å; L122-M124 HydrophobicContact CB-SD 4.39Å; L122-M124 PolarHBondContact O-N 3.45Å; M124-T144 PolarHBondContact N-O 2.97Å |
| 125 | S | 88.9 | Confident | 81.1 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 22% | 0.217 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 146.1 | 172.5 | 178.7 | 0 | 0 | 0 | 0 | 110 | C143 T144 F176 | S125-C143 WeakPolarHBondContact O-CA 3.41Å; S125-T144 WeakPolarHBondContact CB-OG1 3.4Å; S125-T144 PolarHBondContact N-O 2.87Å; S125-T144 PolarHBondContact O-N 2.81Å; S125-F176 WeakPolarHBondContact OG-CE1 3.45Å |
| 126 | M | 91.8 | Very high | 80.7 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 6% | 0.064 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 145 | -179.2 | -64.5 | -173.7 | -66.8 | 0 | 0 | 111.7 | C81 T83 A95 L103 A123 M141 F142 C143 | C81-M126 WeakPolarHBondContact O-CE 3.28Å; T83-M126 HydrophobicContact CG2-CB 3.67Å; T83-M126 HydrophobicContact CG2-CE 4.26Å; A95-M126 HydrophobicContact CB-CE 4.21Å; A95-M126 HydrophobicContact CB-SD 4.41Å; A95-M126 WeakPolarHBondContact O-CE 3.42Å; L103-M126 HydrophobicContact CD1-CE 4.03Å; L103-M126 HydrophobicContact CD1-SD 3.45Å; L103-M126 WeakPolarHBondContact CD1-SD 3.32Å; A123-M126 HydrophobicContact CB-CG 4.42Å; M126-M141 HydrophobicContact SD-CE 4.36Å; M126-M141 HydrophobicContact SD-SD 4.06Å; M126-F142 CarbonylContact C-O 3.34Å; M126-F142 VanDerWaalsContact CA-O 3.23Å; M126-F142 WeakPolarHBondContact CA-O 3.26Å; M126-C143 HydrophobicContact CG-CB 4.36Å |
| 127 | A | 89.8 | Confident | 80.5 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 14% | 0.14 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 143.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F142 F176 L178 | A127-F142 PolarHBondContact N-O 3.18Å; A127-F142 PolarHBondContact O-N 3.33Å; A127-F176 HydrophobicContact CB-CE2 3.65Å; A127-F176 HydrophobicContact CB-CZ 3.84Å; A127-L178 HydrophobicContact CB-CD1 3.38Å |
| 128 | V | 89.2 | Confident | 80.2 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 21% | 0.206 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.4 | -180 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | T83 V84 V85 T139 V140 M141 | T83-V128 HydrophobicContact CG2-CG2 3.6Å; V84-V128 WeakPolarHBondContact O-CB 3.44Å; V84-V128 WeakPolarHBondContact O-CG2 3.2Å; V85-V128 HydrophobicContact CG2-CG2 3.9Å; V128-T139 HydrophobicContact CG1-CG2 3.43Å; V128-T139 VanDerWaalsContact CG1-CG2 3.43Å; V128-V140 WeakPolarHBondContact CA-O 3.47Å; V128-M141 HydrophobicContact CG2-CB 4.08Å; V128-M141 HydrophobicContact CG2-CG 3.87Å; V128-M141 HydrophobicContact CG2-SD 4.31Å |
| 129 | H | 85.7 | Confident | 80.3 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 17% | 0.167 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 144.5 | 176.8 | -158.6 | 68.3 | 0 | 0 | 0 | 110.6 | V140 L178 T180 | H129-V140 PolarHBondContact N-O 3.07Å; H129-V140 PolarHBondContact O-N 2.69Å; H129-L178 HydrophobicContact CB-CB 4.24Å; H129-L178 HydrophobicContact CB-CD2 3.76Å; H129-T180 PolarHBondContact NE2-OG1 2.98Å |
| 130 | E | 83.3 | Confident | 80.5 | Confident | 125 Ų | 125 | 59 Ų | 59 | 58% | 0.584 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 122.9 | 171.5 | -71.6 | -175.6 | 173.2 | 0 | 0 | 109.2 | T137 | E130-T137 HydrophobicContact CB-CG2 3.94Å |
| 131 | I | 77.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.7 | -174.3 | -61.5 | -168.9 | 0 | 0 | 0 | 109 | W133 T137 E138 V140 F142 E186 L202 | I131-W133 HydrophobicContact CD1-CZ2 4.46Å; I131-W133 HydrophobicContact CG2-CD2 4.03Å; I131-W133 HydrophobicContact CG2-CG 4.13Å; I131-W133 HydrophobicContact CG2-CZ2 3.72Å; I131-T137 CarbonylContact O-C 3.57Å; I131-T137 WeakPolarHBondContact O-CA 3.29Å; I131-E138 PolarHBondContact N-O 2.61Å; I131-E138 PolarHBondContact O-N 2.97Å; I131-V140 HydrophobicContact CB-CG2 4.2Å; I131-V140 HydrophobicContact CD1-CB 3.89Å; I131-V140 HydrophobicContact CD1-CG1 4.31Å; I131-V140 HydrophobicContact CD1-CG2 3.97Å; I131-V140 HydrophobicContact CG1-CB 4.26Å; I131-V140 HydrophobicContact CG1-CG2 4.18Å; I131-F142 HydrophobicContact CD1-CE2 3.78Å; I131-F142 HydrophobicContact CD1-CZ 3.62Å; I131-E186 WeakPolarHBondContact CA-OE1 3.42Å; I131-E186 WeakPolarHBondContact CA-OE2 3.38Å; I131-E186 WeakPolarHBondContact CB-OE2 3.45Å; I131-E186 VanDerWaalsContact CG1-OE2 3.25Å; I131-E186 WeakPolarHBondContact CG1-OE2 3.41Å; I131-E186 WeakPolarHBondContact CG2-OE2 3.34Å; I131-L202 HydrophobicContact CD1-CD1 3.59Å |
| 132 | T | 71.7 | Confident | 81.6 | Confident | 68 Ų | 68 | 47.7 Ų | 47.7 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 110.3 | 178.1 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | K136 T137 E186 | T132-K136 CarbonylContact C-O 3.56Å; T132-K136 WeakPolarHBondContact CA-O 3.31Å; T132-T137 PolarHBondContact OG1-OG1 3.05Å; T132-E186 PolarHBondContact N-OE1 2.78Å |
| 133 | W | 63.5 | Low | 81.8 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.9 | 175.1 | -62.8 | -30.8 | 0 | 0 | 0 | 111.7 | I131 G135 K136 V140 L161 F162 L213 | I131-W133 HydrophobicContact CD1-CZ2 4.46Å; I131-W133 HydrophobicContact CG2-CD2 4.03Å; I131-W133 HydrophobicContact CG2-CG 4.13Å; I131-W133 HydrophobicContact CG2-CZ2 3.72Å; W133-G135 PolarHBondContact O-N 3.02Å; W133-K136 PolarHBondContact N-O 3.39Å; W133-K136 PolarHBondContact O-N 3.38Å; W133-V140 HydrophobicContact CH2-CG2 4.08Å; W133-L161 HydrophobicContact CH2-CD1 4.17Å; W133-L161 HydrophobicContact CZ3-CD1 4.49Å; W133-F162 HydrophobicContact CH2-CD1 4.27Å; W133-F162 AromaticContact CH2-CE1 3.59Å; W133-F162 HydrophobicContact CH2-CE1 3.59Å; W133-F162 HydrophobicContact CZ2-CD1 4.46Å; W133-F162 AromaticContact CZ2-CE1 3.56Å; W133-F162 HydrophobicContact CZ2-CE1 3.56Å; W133-F162 HydrophobicContact CZ2-CZ 4.18Å; W133-L213 HydrophobicContact CD2-CD2 3.96Å; W133-L213 VanDerWaalsContact CE2-CD2 3.48Å; W133-L213 HydrophobicContact CG-CD2 4.27Å; W133-L213 HydrophobicContact CZ2-CD2 3.88Å |
| 134 | C | 62.4 | Low | 81.9 | Confident | 87 Ų | 87 | 45.4 Ų | 45.4 | 59% | 0.588 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 33.9 | 175.7 | -61.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 135 | G | 66.2 | Low | 81.7 | Confident | 73 Ų | 73 | 41.7 Ų | 41.7 | 75% | 0.753 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | W133 | W133-G135 PolarHBondContact O-N 3.02Š|
| 136 | K | 66.6 | Low | 81.3 | Confident | 154 Ų | 154 | 44 Ų | 44 | 67% | 0.67 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.5 | 171 | -68.3 | -174.5 | 178.1 | -177.8 | 0 | 110.3 | T132 W133 | T132-K136 CarbonylContact C-O 3.56Å; T132-K136 WeakPolarHBondContact CA-O 3.31Å; W133-K136 PolarHBondContact N-O 3.39Å; W133-K136 PolarHBondContact O-N 3.38Å |
| 137 | T | 75.8 | Confident | 80.9 | Confident | 83 Ų | 83 | 46 Ų | 46 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.4 | 173.7 | -52.6 | 0 | 0 | 0 | 0 | 109.1 | E130 I131 T132 | E130-T137 HydrophobicContact CB-CG2 3.94Å; I131-T137 CarbonylContact O-C 3.57Å; I131-T137 WeakPolarHBondContact O-CA 3.29Å; T132-T137 PolarHBondContact OG1-OG1 3.05Å |
| 138 | E | 77.9 | Confident | 80.5 | Confident | 52 Ų | 52 | 46.6 Ų | 46.6 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 140 | 173 | -70.3 | -163.6 | -170.6 | 0 | 0 | 109.9 | I131 V140 R154 | I131-E138 PolarHBondContact N-O 2.61Å; I131-E138 PolarHBondContact O-N 2.97Å; E138-V140 HydrophobicContact CB-CG2 4.39Å; E138-V140 PolarHBondContact O-N 2.78Å; E138-R154 IonicContact OE1-NH2 3.88Å; E138-R154 PolarHBondContact OE1-NH2 3.31Å; E138-R154 IonicContact OE2-CZ 3.41Å; E138-R154 IonicContact OE2-NE 2.88Å; E138-R154 PolarHBondContact OE2-NE 3.3Å; E138-R154 IonicContact OE2-NH2 3.53Å; E138-R154 PolarHBondContact OE2-NH2 3.44Å |
| 139 | T | 87.3 | Confident | 80.2 | Confident | 49 Ų | 49 | 48.1 Ų | 48.1 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 112.8 | 171.6 | -47.2 | 0 | 0 | 0 | 0 | 108.8 | V128 A155 | V128-T139 HydrophobicContact CG1-CG2 3.43Å; V128-T139 VanDerWaalsContact CG1-CG2 3.43Å; T139-A155 HydrophobicContact CG2-CB 3.82Å; T139-A155 VanDerWaalsContact O-CB 3.31Å; T139-A155 WeakPolarHBondContact O-CB 3.45Å; T139-A155 PolarHBondContact O-N 3.33Å |
| 140 | V | 89.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.6 | -176 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | V128 H129 I131 W133 E138 F142 A152 L153 L161 | V128-V140 WeakPolarHBondContact CA-O 3.47Å; H129-V140 PolarHBondContact N-O 3.07Å; H129-V140 PolarHBondContact O-N 2.69Å; I131-V140 HydrophobicContact CB-CG2 4.2Å; I131-V140 HydrophobicContact CD1-CB 3.89Å; I131-V140 HydrophobicContact CD1-CG1 4.31Å; I131-V140 HydrophobicContact CD1-CG2 3.97Å; I131-V140 HydrophobicContact CG1-CB 4.26Å; I131-V140 HydrophobicContact CG1-CG2 4.18Å; W133-V140 HydrophobicContact CH2-CG2 4.08Å; E138-V140 HydrophobicContact CB-CG2 4.39Å; E138-V140 PolarHBondContact O-N 2.78Å; V140-F142 HydrophobicContact CB-CE2 3.99Å; V140-F142 HydrophobicContact CB-CZ 4.41Å; V140-F142 HydrophobicContact CG1-CD2 4.21Å; V140-F142 HydrophobicContact CG1-CE1 4.42Å; V140-F142 HydrophobicContact CG1-CE2 3.57Å; V140-F142 HydrophobicContact CG1-CZ 3.7Å; V140-A152 HydrophobicContact CG1-CB 3.97Å; V140-L153 CarbonylContact C-O 3.54Å; V140-L153 WeakPolarHBondContact CA-O 3.22Å; V140-L161 HydrophobicContact CG1-CD1 4.12Å; V140-L161 HydrophobicContact CG2-CD1 3.95Å |
| 141 | M | 91.6 | Very high | 80.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.7 | 176.8 | -175.6 | 171.8 | 71.5 | 0 | 0 | 110.3 | T83 V85 A95 L103 M126 V128 A152 L153 A155 L158 | T83-M141 HydrophobicContact CG2-CG 4.45Å; T83-M141 HydrophobicContact CG2-SD 4.01Å; V85-M141 HydrophobicContact CG2-SD 4.41Å; A95-M141 HydrophobicContact CB-CE 4.17Å; A95-M141 HydrophobicContact CB-SD 3.39Å; A95-M141 WeakPolarHBondContact CB-SD 3.15Å; L103-M141 HydrophobicContact CD1-CE 4.31Å; L103-M141 HydrophobicContact CD2-CE 3.69Å; L103-M141 HydrophobicContact CG-CE 4.37Å; M126-M141 HydrophobicContact SD-CE 4.36Å; M126-M141 HydrophobicContact SD-SD 4.06Å; V128-M141 HydrophobicContact CG2-CB 4.08Å; V128-M141 HydrophobicContact CG2-CG 3.87Å; V128-M141 HydrophobicContact CG2-SD 4.31Å; M141-A152 CarbonylContact O-C 3.52Å; M141-L153 HydrophobicContact CE-CB 4.47Å; M141-L153 HydrophobicContact CE-CD1 3.89Å; M141-L153 PolarHBondContact N-O 3.19Å; M141-L153 PolarHBondContact O-N 2.78Å; M141-A155 HydrophobicContact CB-CB 4.15Å; M141-L158 HydrophobicContact CE-CD2 3.46Å; M141-L158 VanDerWaalsContact CE-CD2 3.46Å |
| 142 | F | 92.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 134 | 177.5 | -65.7 | -92.9 | 0 | 0 | 0 | 109.6 | M126 A127 I131 V140 V150 L151 A152 F162 L164 F176 L178 L202 | M126-F142 CarbonylContact C-O 3.34Å; M126-F142 VanDerWaalsContact CA-O 3.23Å; M126-F142 WeakPolarHBondContact CA-O 3.26Å; A127-F142 PolarHBondContact N-O 3.18Å; A127-F142 PolarHBondContact O-N 3.33Å; I131-F142 HydrophobicContact CD1-CE2 3.78Å; I131-F142 HydrophobicContact CD1-CZ 3.62Å; V140-F142 HydrophobicContact CB-CE2 3.99Å; V140-F142 HydrophobicContact CB-CZ 4.41Å; V140-F142 HydrophobicContact CG1-CD2 4.21Å; V140-F142 HydrophobicContact CG1-CE1 4.42Å; V140-F142 HydrophobicContact CG1-CE2 3.57Å; V140-F142 HydrophobicContact CG1-CZ 3.7Å; F142-V150 HydrophobicContact CB-CG1 3.94Å; F142-V150 HydrophobicContact CD1-CG1 4.07Å; F142-L151 CarbonylContact C-O 3.48Å; F142-L151 VanDerWaalsContact CA-O 3.3Å; F142-L151 WeakPolarHBondContact CA-O 3.49Å; F142-A152 HydrophobicContact CD1-CB 3.9Å; F142-A152 HydrophobicContact CE1-CB 3.64Å; F142-A152 HydrophobicContact CZ-CB 4.26Å; F142-F162 AromaticContact CE1-CE2 3.91Å; F142-F162 HydrophobicContact CE1-CE2 3.91Å; F142-F162 AromaticContact CE1-CZ 3.87Å; F142-F162 HydrophobicContact CE1-CZ 3.87Å; F142-F162 HydrophobicContact CZ-CE2 4.45Å; F142-F162 AromaticContact CZ-CZ 3.97Å; F142-F162 HydrophobicContact CZ-CZ 3.97Å; F142-L164 HydrophobicContact CD1-CD1 4.16Å; F142-L164 HydrophobicContact CE1-CD1 4.12Å; F142-L164 HydrophobicContact CE1-CG 4.46Å; F142-F176 HydrophobicContact CB-CE2 3.7Å; F142-F176 HydrophobicContact CB-CZ 3.99Å; F142-F176 WeakPolarHBondContact O-CZ 3.33Å; F142-L178 HydrophobicContact CB-CD1 4.41Å; F142-L178 HydrophobicContact CD2-CD1 4.06Å; F142-L178 HydrophobicContact CD2-CD2 3.46Å; F142-L178 VanDerWaalsContact CD2-CD2 3.46Å; F142-L178 HydrophobicContact CD2-CG 4.44Å; F142-L178 HydrophobicContact CE2-CD2 3.4Å; F142-L178 VanDerWaalsContact CE2-CD2 3.4Å; F142-L178 HydrophobicContact CG-CD1 4.37Å; F142-L178 HydrophobicContact CG-CD2 4.16Å; F142-L178 HydrophobicContact CZ-CD2 4.05Å; F142-L202 HydrophobicContact CE1-CD1 4.13Å; F142-L202 HydrophobicContact CE2-CD1 4.31Å; F142-L202 HydrophobicContact CZ-CD1 3.54Å |
| 143 | C | 91.9 | Very high | 82.2 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129.3 | -179.1 | -54.7 | 0 | 0 | 0 | 0 | 109.7 | A123 S125 M126 L151 | A123-C143 HydrophobicContact CB-CB 4.21Å; S125-C143 WeakPolarHBondContact O-CA 3.41Å; M126-C143 HydrophobicContact CG-CB 4.36Å; C143-L151 HydrophobicContact CB-CB 4.48Å; C143-L151 PolarHBondContact N-O 3.38Å; C143-L151 PolarHBondContact O-N 2.97Å |
| 144 | T | 90.2 | Very high | 83.4 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 162 | 170 | 66.6 | 0 | 0 | 0 | 0 | 110.5 | A123 M124 S125 V150 L173 F176 | A123-T144 CarbonylContact C-O 3.31Å; A123-T144 WeakPolarHBondContact CA-O 3.46Å; M124-T144 PolarHBondContact N-O 2.97Å; S125-T144 WeakPolarHBondContact CB-OG1 3.4Å; S125-T144 PolarHBondContact N-O 2.87Å; S125-T144 PolarHBondContact O-N 2.81Å; T144-V150 HydrophobicContact CG2-CB 4.14Å; T144-V150 HydrophobicContact CG2-CG1 3.72Å; T144-V150 HydrophobicContact CG2-CG2 3.77Å; T144-L173 HydrophobicContact CG2-CB 4.14Å; T144-L173 HydrophobicContact CG2-CD1 3.93Å; T144-F176 HydrophobicContact CG2-CD1 3.39Å; T144-F176 HydrophobicContact CG2-CE1 3.42Å; T144-F176 VanDerWaalsContact CG2-CE1 3.42Å; T144-F176 HydrophobicContact CG2-CG 4.06Å; T144-F176 HydrophobicContact CG2-CZ 4.1Å; T144-F176 WeakPolarHBondContact OG1-CE1 3.39Å |
| 145 | G | 83.7 | Confident | 84.6 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 8% | 0.082 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | -155 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L122 H147 | L122-G145 WeakPolarHBondContact O-CA 3.47Å; G145-H147 PolarHBondContact O-N 3.2Å |
| 146 | N | 80.9 | Confident | 85.5 | Confident | 80 Ų | 80 | 36.4 Ų | 36.4 | 43% | 0.428 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -74.2 | 42.7 | 172.5 | -63.3 | -13.6 | 0 | 0 | 0 | 112 | W172 | N146-W172 HydrophobicContact CB-CE3 4.5Å; N146-W172 HydrophobicContact CB-CH2 4.17Å; N146-W172 HydrophobicContact CB-CZ2 4.29Å; N146-W172 HydrophobicContact CB-CZ3 4.27Å |
| 147 | H | 83.2 | Confident | 86.2 | Confident | 56 Ų | 56 | 31.8 Ų | 31.8 | 26% | 0.259 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -148.7 | 144.5 | -179.1 | -163.2 | -96.9 | 0 | 0 | 0 | 108.7 | H121 G145 E149 W172 | H121-H147 AromaticContact CD2-CD2 3.96Å; H121-H147 AromaticContact CD2-CG 3.81Å; H121-H147 AromaticContact NE2-CD2 3.6Å; H121-H147 AromaticContact NE2-CG 3.93Å; G145-H147 PolarHBondContact O-N 3.2Å; H147-E149 IonicContact CE1-OE2 3.59Å; H147-E149 PolarHBondContact ND1-N 3.03Å; H147-E149 PolarHBondContact O-N 2.78Å; H147-W172 VanDerWaalsContact C-CD1 3.42Å |
| 148 | P | 80.1 | Confident | 86.7 | Confident | 29 Ų | 29 | 27.9 Ų | 27.9 | 19% | 0.188 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -71.4 | -10.6 | -177.2 | 28.1 | -37.1 | 0 | 0 | 0 | 114.4 | P170 D171 | P148-P170 HydrophobicContact CB-CB 3.74Å; P148-P170 HydrophobicContact CG-CB 4.02Å; P148-D171 WeakPolarHBondContact CA-O 3.35Å |
| 149 | E | 84.6 | Confident | 87 | Confident | 66 Ų | 66 | 30.1 Ų | 30.1 | 31% | 0.308 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -97.3 | 145.8 | -178 | -57.5 | -176.9 | 175.9 | 0 | 0 | 112.3 | H147 C163 L164 C165 | H147-E149 IonicContact CE1-OE2 3.59Å; H147-E149 PolarHBondContact ND1-N 3.03Å; H147-E149 PolarHBondContact O-N 2.78Å; E149-C163 HydrophobicContact CB-CB 4.38Å; E149-C163 PolarHBondContact OE2-SG 2.92Å; E149-L164 CarbonylContact C-O 3.59Å; E149-L164 VanDerWaalsContact CA-O 3.31Å; E149-L164 WeakPolarHBondContact CA-O 3.42Å; E149-C165 HydrophobicContact CG-CB 4.49Å; E149-C165 PolarHBondContact OE1-SG 3.19Å; E149-C165 VanDerWaalsContact OE1-SG 3.42Å |
| 150 | V | 89.5 | Confident | 86.8 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 117 | 170.3 | -168.5 | 0 | 0 | 0 | 0 | 109 | F142 T144 C163 L164 L173 | F142-V150 HydrophobicContact CB-CG1 3.94Å; F142-V150 HydrophobicContact CD1-CG1 4.07Å; T144-V150 HydrophobicContact CG2-CB 4.14Å; T144-V150 HydrophobicContact CG2-CG1 3.72Å; T144-V150 HydrophobicContact CG2-CG2 3.77Å; V150-C163 CarbonylContact O-C 3.56Å; V150-C163 WeakPolarHBondContact O-CA 3.44Å; V150-L164 HydrophobicContact CB-CB 3.84Å; V150-L164 HydrophobicContact CB-CD1 4.11Å; V150-L164 HydrophobicContact CB-CG 4.09Å; V150-L164 HydrophobicContact CG1-CD1 4.37Å; V150-L164 HydrophobicContact CG2-CB 4.05Å; V150-L164 HydrophobicContact CG2-CD1 4.38Å; V150-L164 PolarHBondContact N-O 2.86Å; V150-L164 PolarHBondContact O-N 3.26Å; V150-L173 HydrophobicContact CG2-CD1 3.39Å |
| 151 | L | 89.8 | Confident | 86.5 | Confident | 28 Ų | 28 | 32.2 Ų | 32.2 | 15% | 0.147 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 125.1 | 178.4 | -68 | 171.6 | 0 | 0 | 0 | 110.2 | M119 F142 C143 C163 | M119-L151 HydrophobicContact CE-CD1 3.63Å; F142-L151 CarbonylContact C-O 3.48Å; F142-L151 VanDerWaalsContact CA-O 3.3Å; F142-L151 WeakPolarHBondContact CA-O 3.49Å; C143-L151 HydrophobicContact CB-CB 4.48Å; C143-L151 PolarHBondContact N-O 3.38Å; C143-L151 PolarHBondContact O-N 2.97Å; L151-C163 HydrophobicContact CD2-CB 4.26Å |
| 152 | A | 89.5 | Confident | 86.2 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 123.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V140 M141 F142 L161 F162 | V140-A152 HydrophobicContact CG1-CB 3.97Å; M141-A152 CarbonylContact O-C 3.52Å; F142-A152 HydrophobicContact CD1-CB 3.9Å; F142-A152 HydrophobicContact CE1-CB 3.64Å; F142-A152 HydrophobicContact CZ-CB 4.26Å; A152-L161 PolarHBondContact O-N 3.29Å; A152-F162 HydrophobicContact CB-CD1 3.92Å; A152-F162 HydrophobicContact CB-CD2 3.77Å; A152-F162 HydrophobicContact CB-CE1 3.65Å; A152-F162 HydrophobicContact CB-CE2 3.52Å; A152-F162 HydrophobicContact CB-CG 3.95Å; A152-F162 HydrophobicContact CB-CZ 3.47Å; A152-F162 VanDerWaalsContact CB-CZ 3.47Å; A152-F162 WeakPolarHBondContact CB-O 3.45Å; A152-F162 PolarHBondContact N-O 2.92Å; A152-F162 PolarHBondContact O-N 2.55Å |
| 153 | L | 89.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 148.1 | -177.8 | -53.9 | -177.1 | 0 | 0 | 0 | 110.1 | L103 M119 V140 M141 A155 E159 N160 | L103-L153 HydrophobicContact CD2-CD1 3.72Å; M119-L153 HydrophobicContact CE-CD1 4.17Å; M119-L153 HydrophobicContact SD-CD1 4.21Å; V140-L153 CarbonylContact C-O 3.54Å; V140-L153 WeakPolarHBondContact CA-O 3.22Å; M141-L153 HydrophobicContact CE-CB 4.47Å; M141-L153 HydrophobicContact CE-CD1 3.89Å; M141-L153 PolarHBondContact N-O 3.19Å; M141-L153 PolarHBondContact O-N 2.78Å; L153-A155 PolarHBondContact O-N 3.37Å; L153-E159 CarbonylContact C-O 3.49Å; L153-E159 WeakPolarHBondContact CA-O 3.38Å; L153-N160 HydrophobicContact CD2-CB 4.35Å; L153-N160 WeakPolarHBondContact CD2-OD1 2.96Å |
| 154 | R | 88.6 | Confident | 85.8 | Confident | 73 Ų | 73 | 32.6 Ų | 32.6 | 28% | 0.275 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 121.5 | 165.4 | -179.7 | 170.2 | -70.1 | 139.8 | -4.4 | 108.6 | E138 S156 T157 L158 E159 L161 | E138-R154 IonicContact OE1-NH2 3.88Å; E138-R154 PolarHBondContact OE1-NH2 3.31Å; E138-R154 IonicContact OE2-CZ 3.41Å; E138-R154 IonicContact OE2-NE 2.88Å; E138-R154 PolarHBondContact OE2-NE 3.3Å; E138-R154 IonicContact OE2-NH2 3.53Å; E138-R154 PolarHBondContact OE2-NH2 3.44Å; R154-S156 VanDerWaalsContact C-N 3.26Å; R154-S156 PolarHBondContact O-N 3.36Å; R154-T157 WeakPolarHBondContact CD-OG1 3.3Å; R154-T157 PolarHBondContact O-N 2.97Å; R154-L158 VanDerWaalsContact O-CA 3.31Å; R154-L158 WeakPolarHBondContact O-CA 3.33Å; R154-L158 PolarHBondContact O-N 2.92Å; R154-E159 PolarHBondContact N-O 3.15Å; R154-E159 IonicContact NH1-OE2 2.64Å; R154-E159 PolarHBondContact NH1-OE2 3.11Å; R154-L161 HydrophobicContact CB-CD1 4.1Å; R154-L161 HydrophobicContact CB-CD2 4.18Å; R154-L161 HydrophobicContact CB-CG 4.21Å |
| 155 | A | 88.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -26.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V85 T139 M141 L153 | V85-A155 HydrophobicContact CG1-CB 3.67Å; V85-A155 HydrophobicContact CG2-CB 4.5Å; T139-A155 HydrophobicContact CG2-CB 3.82Å; T139-A155 VanDerWaalsContact O-CB 3.31Å; T139-A155 WeakPolarHBondContact O-CB 3.45Å; T139-A155 PolarHBondContact O-N 3.33Å; M141-A155 HydrophobicContact CB-CB 4.15Å; L153-A155 PolarHBondContact O-N 3.37Å |
| 156 | S | 83.5 | Confident | 85.7 | Confident | 75 Ų | 75 | 33.1 Ų | 33.1 | 52% | 0.524 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -29.5 | 179.7 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | R154 | R154-S156 VanDerWaalsContact C-N 3.26Å; R154-S156 PolarHBondContact O-N 3.36Å |
| 157 | T | 81.5 | Confident | 85.7 | Confident | 57 Ų | 57 | 38 Ų | 38 | 35% | 0.35 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -10.9 | -174.7 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | V115 R154 E159 | V115-T157 WeakPolarHBondContact CG1-O 3.35Å; R154-T157 WeakPolarHBondContact CD-OG1 3.3Å; R154-T157 PolarHBondContact O-N 2.97Å; T157-E159 PolarHBondContact O-N 2.51Å; T157-E159 WeakPolarHBondContact OG1-CB 3.44Å; T157-E159 VanDerWaalsContact OG1-CD 3.31Å; T157-E159 WeakPolarHBondContact OG1-CG 3.48Å; T157-E159 PolarHBondContact OG1-OE2 3.48Å |
| 158 | L | 87.5 | Confident | 85.1 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | trans | 58.4 | 17.2 | -171.4 | -53 | -177.8 | 0 | 0 | 0 | 114.1 | L103 V115 K117 M141 R154 | L103-L158 HydrophobicContact CD2-CD1 4.32Å; L103-L158 HydrophobicContact CD2-CD2 4.19Å; L103-L158 HydrophobicContact CG-CD1 4.09Å; L103-L158 HydrophobicContact CG-CD2 4.48Å; V115-L158 HydrophobicContact CG1-CB 4.16Å; V115-L158 HydrophobicContact CG1-CD1 3.82Å; V115-L158 HydrophobicContact CG1-CG 3.7Å; K117-L158 HydrophobicContact CB-CB 4.24Å; K117-L158 HydrophobicContact CB-CD1 4.14Å; K117-L158 HydrophobicContact CD-CB 4.17Å; K117-L158 WeakPolarHBondContact CD-O 3.15Å; K117-L158 PolarHBondContact NZ-O 2.97Å; M141-L158 HydrophobicContact CE-CD2 3.46Å; M141-L158 VanDerWaalsContact CE-CD2 3.46Å; R154-L158 VanDerWaalsContact O-CA 3.31Å; R154-L158 WeakPolarHBondContact O-CA 3.33Å; R154-L158 PolarHBondContact O-N 2.92Å | ||
| 159 | E | 84.5 | Confident | 84.8 | Confident | 99 Ų | 99 | 43.4 Ų | 43.4 | 46% | 0.463 | 22% | 0.218 | S | C | . | . | trans | -70.9 | 143.3 | 175.3 | -70.5 | 169.3 | 155.4 | 0 | 0 | 111.2 | L153 R154 T157 | L153-E159 CarbonylContact C-O 3.49Å; L153-E159 WeakPolarHBondContact CA-O 3.38Å; R154-E159 PolarHBondContact N-O 3.15Å; R154-E159 IonicContact NH1-OE2 2.64Å; R154-E159 PolarHBondContact NH1-OE2 3.11Å; T157-E159 PolarHBondContact O-N 2.51Å; T157-E159 WeakPolarHBondContact OG1-CB 3.44Å; T157-E159 VanDerWaalsContact OG1-CD 3.31Å; T157-E159 WeakPolarHBondContact OG1-CG 3.48Å; T157-E159 PolarHBondContact OG1-OE2 3.48Å | ||
| 160 | N | 83.1 | Confident | 84.5 | Confident | 65 Ų | 65 | 44.8 Ų | 44.8 | 35% | 0.348 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 133 | 175.5 | -68 | -6.4 | 0 | 0 | 0 | 110.3 | K117 L153 N225 | K117-N160 PolarHBondContact NZ-OD1 2.9Å; L153-N160 HydrophobicContact CD2-CB 4.35Å; L153-N160 WeakPolarHBondContact CD2-OD1 2.96Å; N160-N225 VanDerWaalsContact CB-OD1 3.32Å; N160-N225 WeakPolarHBondContact CB-OD1 3.2Å; N160-N225 PolarHBondContact ND2-OD1 3.24Å; N160-N225 VanDerWaalsContact ND2-OD1 3.11Å |
| 161 | L | 82.1 | Confident | 84.2 | Confident | 28 Ų | 28 | 46.6 Ų | 46.6 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -56.6 | 173.7 | -62.3 | 177.6 | 0 | 0 | 0 | 110.9 | W133 V140 A152 R154 | W133-L161 HydrophobicContact CH2-CD1 4.17Å; W133-L161 HydrophobicContact CZ3-CD1 4.49Å; V140-L161 HydrophobicContact CG1-CD1 4.12Å; V140-L161 HydrophobicContact CG2-CD1 3.95Å; A152-L161 PolarHBondContact O-N 3.29Å; R154-L161 HydrophobicContact CB-CD1 4.1Å; R154-L161 HydrophobicContact CB-CD2 4.18Å; R154-L161 HydrophobicContact CB-CG 4.21Å |
| 162 | F | 84.6 | Confident | 84 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 175.8 | -177.9 | 60.4 | -90.6 | 0 | 0 | 0 | 110.1 | W133 F142 A152 L164 L202 P226 I228 | W133-F162 HydrophobicContact CH2-CD1 4.27Å; W133-F162 AromaticContact CH2-CE1 3.59Å; W133-F162 HydrophobicContact CH2-CE1 3.59Å; W133-F162 HydrophobicContact CZ2-CD1 4.46Å; W133-F162 AromaticContact CZ2-CE1 3.56Å; W133-F162 HydrophobicContact CZ2-CE1 3.56Å; W133-F162 HydrophobicContact CZ2-CZ 4.18Å; F142-F162 AromaticContact CE1-CE2 3.91Å; F142-F162 HydrophobicContact CE1-CE2 3.91Å; F142-F162 AromaticContact CE1-CZ 3.87Å; F142-F162 HydrophobicContact CE1-CZ 3.87Å; F142-F162 HydrophobicContact CZ-CE2 4.45Å; F142-F162 AromaticContact CZ-CZ 3.97Å; F142-F162 HydrophobicContact CZ-CZ 3.97Å; A152-F162 HydrophobicContact CB-CD1 3.92Å; A152-F162 HydrophobicContact CB-CD2 3.77Å; A152-F162 HydrophobicContact CB-CE1 3.65Å; A152-F162 HydrophobicContact CB-CE2 3.52Å; A152-F162 HydrophobicContact CB-CG 3.95Å; A152-F162 HydrophobicContact CB-CZ 3.47Å; A152-F162 VanDerWaalsContact CB-CZ 3.47Å; A152-F162 WeakPolarHBondContact CB-O 3.45Å; A152-F162 PolarHBondContact N-O 2.92Å; A152-F162 PolarHBondContact O-N 2.55Å; F162-L164 HydrophobicContact CD2-CD2 4.12Å; F162-L164 HydrophobicContact CE2-CD2 3.71Å; F162-L164 HydrophobicContact CE2-CG 4.43Å; F162-L202 HydrophobicContact CE2-CD2 4.41Å; F162-P226 WeakPolarHBondContact CA-O 3.38Å; F162-P226 HydrophobicContact CB-CG 3.82Å; F162-P226 VanDerWaalsContact CB-O 3.25Å; F162-P226 WeakPolarHBondContact CB-O 3.44Å; F162-I228 HydrophobicContact CD2-CD1 3.62Å; F162-I228 HydrophobicContact CD2-CG1 4.15Å; F162-I228 HydrophobicContact CE2-CD1 3.67Å; F162-I228 HydrophobicContact CG-CD1 4.3Å; F162-I228 HydrophobicContact CZ-CD1 4.39Å |
| 163 | C | 87.3 | Confident | 83.8 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 150.3 | 171.8 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | E149 V150 L151 P226 A227 I228 | E149-C163 HydrophobicContact CB-CB 4.38Å; E149-C163 PolarHBondContact OE2-SG 2.92Å; V150-C163 CarbonylContact O-C 3.56Å; V150-C163 WeakPolarHBondContact O-CA 3.44Å; L151-C163 HydrophobicContact CD2-CB 4.26Å; C163-P226 PolarHBondContact N-O 3.26Å; C163-A227 CarbonylContact O-C 3.55Å; C163-A227 WeakPolarHBondContact O-CA 3.43Å; C163-I228 PolarHBondContact O-N 2.81Å |
| 164 | L | 88.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.4 | 168 | -48 | 178.5 | 0 | 0 | 0 | 108.5 | F142 E149 V150 F162 V188 W200 L202 I228 | F142-L164 HydrophobicContact CD1-CD1 4.16Å; F142-L164 HydrophobicContact CE1-CD1 4.12Å; F142-L164 HydrophobicContact CE1-CG 4.46Å; E149-L164 CarbonylContact C-O 3.59Å; E149-L164 VanDerWaalsContact CA-O 3.31Å; E149-L164 WeakPolarHBondContact CA-O 3.42Å; V150-L164 HydrophobicContact CB-CB 3.84Å; V150-L164 HydrophobicContact CB-CD1 4.11Å; V150-L164 HydrophobicContact CB-CG 4.09Å; V150-L164 HydrophobicContact CG1-CD1 4.37Å; V150-L164 HydrophobicContact CG2-CB 4.05Å; V150-L164 HydrophobicContact CG2-CD1 4.38Å; V150-L164 PolarHBondContact N-O 2.86Å; V150-L164 PolarHBondContact O-N 3.26Å; F162-L164 HydrophobicContact CD2-CD2 4.12Å; F162-L164 HydrophobicContact CE2-CD2 3.71Å; F162-L164 HydrophobicContact CE2-CG 4.43Å; L164-V188 HydrophobicContact CD1-CB 4Å; L164-V188 HydrophobicContact CD1-CG1 3.97Å; L164-V188 HydrophobicContact CD1-CG2 3.81Å; L164-W200 HydrophobicContact CB-CD2 4.28Å; L164-W200 HydrophobicContact CB-CG 4.25Å; L164-W200 HydrophobicContact CD1-CB 4.29Å; L164-W200 HydrophobicContact CD1-CD2 4.28Å; L164-W200 HydrophobicContact CD1-CG 4.15Å; L164-W200 HydrophobicContact CD2-CG 4.43Å; L164-L202 HydrophobicContact CD2-CD2 3.82Å; L164-I228 CarbonylContact C-O 3.44Å; L164-I228 VanDerWaalsContact CA-O 3.31Å; L164-I228 WeakPolarHBondContact CA-O 3.45Å; L164-I228 HydrophobicContact CD2-CB 3.72Å; L164-I228 HydrophobicContact CD2-CD1 4.19Å; L164-I228 HydrophobicContact CD2-CG1 4.4Å; L164-I228 HydrophobicContact CD2-CG2 4.1Å |
| 165 | C | 88.1 | Confident | 83.5 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 162.6 | -176.9 | -58.1 | 0 | 0 | 0 | 0 | 110.3 | E149 W200 A227 I228 Y229 | E149-C165 HydrophobicContact CG-CB 4.49Å; E149-C165 PolarHBondContact OE1-SG 3.19Å; E149-C165 VanDerWaalsContact OE1-SG 3.42Å; C165-W200 PolarHBondContact O-NE1 3.04Å; C165-A227 HydrophobicContact CB-CB 4.3Å; C165-A227 WeakPolarHBondContact SG-CB 3.4Å; C165-I228 PolarHBondContact N-O 2.93Å; C165-Y229 HydrophobicContact CB-CD1 3.87Å; C165-Y229 HydrophobicContact CB-CE1 3.77Å; C165-Y229 WeakPolarHBondContact O-CA 3.4Å |
| 166 | S | 85.4 | Confident | 83.6 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | trans | -107 | 136.8 | 169.7 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | V168 E169 K198 E230 | S166-V168 PolarHBondContact OG-N 2.93Å; S166-E169 PolarHBondContact OG-N 2.85Å; S166-E169 PolarHBondContact OG-O 3.15Å; S166-K198 WeakPolarHBondContact OG-CE 3.47Å; S166-K198 PolarHBondContact OG-NZ 2.89Å; S166-E230 WeakPolarHBondContact CA-OE1 3.39Å; S166-E230 WeakPolarHBondContact CA-OE2 3.45Å; S166-E230 WeakPolarHBondContact CB-OE1 3.41Å; S166-E230 PolarHBondContact OG-OE1 2.83Å | ||
| 167 | R | 80.7 | Confident | 83.8 | Confident | 181 Ų | 181 | 46 Ų | 46 | 68% | 0.683 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -88.3 | -39.2 | 169.7 | -65.5 | -177.3 | 177.7 | 171.4 | -0.4 | 113 | Y229 E230 | R167-Y229 HydrophobicContact CB-CD1 4.49Å; R167-Y229 HydrophobicContact CG-CD1 3.27Å; R167-Y229 HydrophobicContact CG-CE1 3.9Å; R167-Y229 HydrophobicContact CG-CG 3.65Å; R167-Y229 VanDerWaalsContact NE-CB 3.33Å; R167-Y229 VanDerWaalsContact NH2-CD2 3.29Å; R167-E230 VanDerWaalsContact N-CD 3.25Å; R167-E230 PolarHBondContact N-OE1 3.24Å; R167-E230 PolarHBondContact N-OE2 2.93Å |
| 168 | V | 70.3 | Confident | 84 | Confident | 97 Ų | 97 | 44.5 Ų | 44.5 | 59% | 0.588 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -78.6 | -31 | -165.6 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | S166 E230 | S166-V168 PolarHBondContact OG-N 2.93Å; V168-E230 PolarHBondContact N-OE1 2.85Å; V168-E230 VanDerWaalsContact N-OE1 3.1Å |
| 169 | E | 73.2 | Confident | 83.6 | Confident | 103 Ų | 103 | 46.6 Ų | 46.6 | 48% | 0.481 | 23% | 0.231 | S | C | . | . | trans | -174.6 | 108.9 | 174.8 | -107 | 163.3 | -161.2 | 0 | 0 | 108.1 | S166 D171 K198 | S166-E169 PolarHBondContact OG-N 2.85Å; S166-E169 PolarHBondContact OG-O 3.15Å; E169-D171 PolarHBondContact O-N 3.44Å; E169-D171 VanDerWaalsContact O-N 3.12Å; E169-K198 WeakPolarHBondContact O-CE 3.25Å; E169-K198 PolarHBondContact O-NZ 3.16Å; E169-K198 VanDerWaalsContact O-NZ 3.15Å | ||
| 170 | P | 77.8 | Confident | 83.3 | Confident | 94 Ų | 94 | 45.1 Ų | 45.1 | 61% | 0.61 | 23% | 0.229 | S | C | * | . | trans | -71.7 | 105.5 | 176.2 | 27.7 | -31.4 | 0 | 0 | 0 | 109.7 | P148 | P148-P170 HydrophobicContact CB-CB 3.74Å; P148-P170 HydrophobicContact CG-CB 4.02Å | ||
| 171 | D | 83.1 | Confident | 82.9 | Confident | 39 Ų | 39 | 43.8 Ų | 43.8 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | trans | -129.6 | 153 | 175.6 | -174.8 | 22.4 | 0 | 0 | 0 | 109.5 | P148 E169 T192 N193 S194 | P148-D171 WeakPolarHBondContact CA-O 3.35Å; E169-D171 PolarHBondContact O-N 3.44Å; E169-D171 VanDerWaalsContact O-N 3.12Å; D171-T192 HydrophobicContact CB-CG2 4.11Å; D171-T192 VanDerWaalsContact OD2-CB 3.24Å; D171-T192 WeakPolarHBondContact OD2-CB 3.34Å; D171-T192 PolarHBondContact OD2-OG1 2.98Å; D171-N193 PolarHBondContact OD2-N 3.43Å; D171-S194 WeakPolarHBondContact OD2-CB 3.2Å; D171-S194 PolarHBondContact OD2-N 3.03Å; D171-S194 PolarHBondContact OD2-OG 3.05Å | ||
| 172 | W | 85.5 | Confident | 82.3 | Confident | 113 Ų | 113 | 48.7 Ų | 48.7 | 43% | 0.428 | 26% | 0.26 | S | S | . | . | trans | -67.3 | 135.5 | -179.9 | -59.8 | -8.2 | 0 | 0 | 0 | 110.4 | N146 H147 S174 T192 N193 | N146-W172 HydrophobicContact CB-CE3 4.5Å; N146-W172 HydrophobicContact CB-CH2 4.17Å; N146-W172 HydrophobicContact CB-CZ2 4.29Å; N146-W172 HydrophobicContact CB-CZ3 4.27Å; H147-W172 VanDerWaalsContact C-CD1 3.42Å; W172-S174 PolarHBondContact O-N 3.33Å; W172-T192 CarbonylContact O-C 3.59Å; W172-T192 VanDerWaalsContact O-CA 3.27Å; W172-T192 WeakPolarHBondContact O-CA 3.42Å; W172-N193 PolarHBondContact O-N 2.63Å | ||
| 173 | L | 86.8 | Confident | 81.6 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 121.5 | 172.7 | -69 | -179 | 0 | 0 | 0 | 110.4 | T144 V150 F176 I191 T192 W200 | T144-L173 HydrophobicContact CG2-CB 4.14Å; T144-L173 HydrophobicContact CG2-CD1 3.93Å; V150-L173 HydrophobicContact CG2-CD1 3.39Å; L173-F176 HydrophobicContact CD1-CB 4.44Å; L173-I191 CarbonylContact C-O 3.59Å; L173-T192 HydrophobicContact CD2-CG2 3.84Å; L173-W200 HydrophobicContact CD1-CH2 4.02Å; L173-W200 HydrophobicContact CD1-CZ3 4.31Å; L173-W200 HydrophobicContact CD2-CH2 4.36Å |
| 174 | S | 85.7 | Confident | 80.8 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 16% | 0.161 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -43.6 | 174.1 | 64 | 0 | 0 | 0 | 0 | 111.8 | W172 I191 N193 A241 | W172-S174 PolarHBondContact O-N 3.33Å; S174-I191 PolarHBondContact N-O 2.85Å; S174-I191 PolarHBondContact OG-O 3.45Å; S174-N193 VanDerWaalsContact CB-OD1 3.26Å; S174-N193 WeakPolarHBondContact CB-OD1 3.41Å; S174-A241 CarbonylContact C-O 3.28Å; S174-A241 WeakPolarHBondContact CB-O 3.22Å |
| 175 | A | 86.5 | Confident | 80 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 2% | 0.017 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 154.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | G190 I191 A241 L244 | A175-G190 WeakPolarHBondContact O-CA 3.17Å; A175-I191 PolarHBondContact N-O 2.8Å; A175-I191 PolarHBondContact O-N 3.13Å; A175-A241 HydrophobicContact CB-CB 4.18Å; A175-L244 HydrophobicContact CB-CB 3.77Å |
| 176 | F | 90.1 | Very high | 79.7 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 161.1 | 177 | 77.3 | -77.4 | 0 | 0 | 0 | 110.8 | S125 A127 F142 T144 L173 L178 V188 I189 | S125-F176 WeakPolarHBondContact OG-CE1 3.45Å; A127-F176 HydrophobicContact CB-CE2 3.65Å; A127-F176 HydrophobicContact CB-CZ 3.84Å; F142-F176 HydrophobicContact CB-CE2 3.7Å; F142-F176 HydrophobicContact CB-CZ 3.99Å; F142-F176 WeakPolarHBondContact O-CZ 3.33Å; T144-F176 HydrophobicContact CG2-CD1 3.39Å; T144-F176 HydrophobicContact CG2-CE1 3.42Å; T144-F176 VanDerWaalsContact CG2-CE1 3.42Å; T144-F176 HydrophobicContact CG2-CG 4.06Å; T144-F176 HydrophobicContact CG2-CZ 4.1Å; T144-F176 WeakPolarHBondContact OG1-CE1 3.39Å; L173-F176 HydrophobicContact CD1-CB 4.44Å; F176-L178 HydrophobicContact CD2-CD1 4.04Å; F176-L178 HydrophobicContact CE2-CD1 3.69Å; F176-V188 HydrophobicContact CD2-CG1 4.1Å; F176-I189 CarbonylContact C-O 3.46Å; F176-I189 WeakPolarHBondContact CA-O 3.4Å; F176-I189 VanDerWaalsContact CB-O 3.3Å; F176-I189 WeakPolarHBondContact CB-O 3.25Å |
| 177 | C | 87.4 | Confident | 79.6 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 160.3 | 173.5 | 64.3 | 0 | 0 | 0 | 0 | 111.4 | I189 L244 | C177-I189 PolarHBondContact N-O 3.5Å; C177-I189 PolarHBondContact O-N 2.8Å; C177-L244 HydrophobicContact CB-CG 4.45Å; C177-L244 WeakPolarHBondContact CB-O 3.26Å |
| 178 | L | 86.2 | Confident | 79.9 | Confident | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.131 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 147.8 | 175.2 | -65.5 | 93.3 | 0 | 0 | 0 | 110.7 | A127 H129 F142 F176 V187 V188 L202 | A127-L178 HydrophobicContact CB-CD1 3.38Å; H129-L178 HydrophobicContact CB-CB 4.24Å; H129-L178 HydrophobicContact CB-CD2 3.76Å; F142-L178 HydrophobicContact CB-CD1 4.41Å; F142-L178 HydrophobicContact CD2-CD1 4.06Å; F142-L178 HydrophobicContact CD2-CD2 3.46Å; F142-L178 VanDerWaalsContact CD2-CD2 3.46Å; F142-L178 HydrophobicContact CD2-CG 4.44Å; F142-L178 HydrophobicContact CE2-CD2 3.4Å; F142-L178 VanDerWaalsContact CE2-CD2 3.4Å; F142-L178 HydrophobicContact CG-CD1 4.37Å; F142-L178 HydrophobicContact CG-CD2 4.16Å; F142-L178 HydrophobicContact CZ-CD2 4.05Å; F176-L178 HydrophobicContact CD2-CD1 4.04Å; F176-L178 HydrophobicContact CE2-CD1 3.69Å; L178-V187 WeakPolarHBondContact CA-O 3.4Å; L178-V188 HydrophobicContact CD2-CG2 3.58Å; L178-V188 HydrophobicContact CG-CB 4.37Å; L178-V188 HydrophobicContact CG-CG1 4.19Å; L178-V188 HydrophobicContact CG-CG2 3.87Å; L178-L202 HydrophobicContact CD2-CD1 4.39Å |
| 179 | F | 79.6 | Confident | 80.7 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 20% | 0.202 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 162.8 | 170.9 | 69.2 | -72.8 | 0 | 0 | 0 | 111.2 | T181 V187 I189 I246 | F179-T181 HydrophobicContact CE2-CG2 3.88Å; F179-T181 HydrophobicContact CZ-CG2 4.45Å; F179-V187 HydrophobicContact CE1-CB 4.02Å; F179-V187 HydrophobicContact CE1-CG1 3.97Å; F179-V187 HydrophobicContact CZ-CB 4.15Å; F179-V187 HydrophobicContact CZ-CG1 4.19Å; F179-V187 PolarHBondContact N-O 2.83Å; F179-V187 PolarHBondContact O-N 2.81Å; F179-I189 HydrophobicContact CD1-CD1 4.5Å; F179-I189 HydrophobicContact CE1-CD1 3.4Å; F179-I189 VanDerWaalsContact CE1-CD1 3.4Å; F179-I189 HydrophobicContact CE1-CG1 3.83Å; F179-I189 HydrophobicContact CZ-CD1 3.9Å; F179-I246 HydrophobicContact CB-CD1 3.98Å; F179-I246 HydrophobicContact CD1-CD1 3.26Å; F179-I246 HydrophobicContact CD2-CD1 4.35Å; F179-I246 HydrophobicContact CE1-CD1 3.78Å; F179-I246 HydrophobicContact CG-CD1 3.6Å; F179-I246 HydrophobicContact CZ-CD1 4.49Å |
| 180 | T | 77 | Confident | 81.4 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.5 | 174.2 | -52.5 | 0 | 0 | 0 | 0 | 109.5 | H129 T185 | H129-T180 PolarHBondContact NE2-OG1 2.98Å; T180-T185 CarbonylContact C-O 3.46Å; T180-T185 WeakPolarHBondContact CA-O 3.28Å |
| 181 | T | 74.2 | Confident | 81.8 | Confident | 38 Ų | 38 | 43 Ų | 43 | 23% | 0.233 | 22% | 0.22 | C | C | . | . | trans | -73.3 | 167.3 | 179.1 | 74.1 | 0 | 0 | 0 | 0 | 111.8 | F179 K183 K184 T185 V187 | F179-T181 HydrophobicContact CE2-CG2 3.88Å; F179-T181 HydrophobicContact CZ-CG2 4.45Å; T181-K183 PolarHBondContact O-N 2.84Å; T181-K183 VanDerWaalsContact O-N 3.16Å; T181-K183 PolarHBondContact OG1-N 2.84Å; T181-K184 WeakPolarHBondContact O-CA 3.44Å; T181-K184 PolarHBondContact O-N 3.06Å; T181-T185 WeakPolarHBondContact CB-OG1 3.3Å; T181-T185 WeakPolarHBondContact CG2-OG1 3.45Å; T181-T185 PolarHBondContact N-O 3.3Å; T181-T185 PolarHBondContact OG1-N 3.29Å; T181-T185 PolarHBondContact OG1-O 3.31Å; T181-T185 PolarHBondContact OG1-OG1 2.95Å; T181-V187 HydrophobicContact CG2-CG2 3.64Å | ||
| 182 | S | 70.2 | Confident | 82.1 | Confident | 130 Ų | 130 | 41.1 Ų | 41.1 | 91% | 0.909 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.6 | 172.3 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | K184 | S182-K184 PolarHBondContact O-N 3.23Š|
| 183 | K | 69.5 | Low | 82 | Confident | 156 Ų | 156 | 38.1 Ų | 38.1 | 68% | 0.678 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 9.6 | 173.8 | -63.5 | -176.7 | -179.1 | 176.7 | 0 | 113 | T181 T185 A205 | T181-K183 PolarHBondContact O-N 2.84Å; T181-K183 VanDerWaalsContact O-N 3.16Å; T181-K183 PolarHBondContact OG1-N 2.84Å; K183-T185 HydrophobicContact CB-CG2 4.39Å; K183-T185 PolarHBondContact O-N 3.15Å; K183-A205 HydrophobicContact CB-CB 4.26Å; K183-A205 WeakPolarHBondContact O-CB 3.45Å |
| 184 | K | 71.1 | Confident | 81.8 | Confident | 174 Ų | 174 | 39.5 Ų | 39.5 | 76% | 0.757 | 21% | 0.213 | S | C | * | . | S | Bend | trans | 59.1 | 26.5 | -175.2 | -57.6 | -174.3 | 175.7 | -175.8 | 0 | 114 | T181 S182 | T181-K184 WeakPolarHBondContact O-CA 3.44Å; T181-K184 PolarHBondContact O-N 3.06Å; S182-K184 PolarHBondContact O-N 3.23Å |
| 185 | T | 72.6 | Confident | 81.5 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | trans | -88.4 | 132.9 | 170 | 63 | 0 | 0 | 0 | 0 | 109.2 | T180 T181 K183 S203 A205 | T180-T185 CarbonylContact C-O 3.46Å; T180-T185 WeakPolarHBondContact CA-O 3.28Å; T181-T185 WeakPolarHBondContact CB-OG1 3.3Å; T181-T185 WeakPolarHBondContact CG2-OG1 3.45Å; T181-T185 PolarHBondContact N-O 3.3Å; T181-T185 PolarHBondContact OG1-N 3.29Å; T181-T185 PolarHBondContact OG1-O 3.31Å; T181-T185 PolarHBondContact OG1-OG1 2.95Å; K183-T185 HydrophobicContact CB-CG2 4.39Å; K183-T185 PolarHBondContact O-N 3.15Å; T185-S203 WeakPolarHBondContact CB-O 3.3Å; T185-A205 HydrophobicContact CG2-CB 3.87Å | ||
| 186 | E | 80.5 | Confident | 81.5 | Confident | 15 Ų | 15 | 40 Ų | 40 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 125.8 | 174.7 | -67.3 | 167.7 | -161.3 | 0 | 0 | 108.8 | I131 T132 L202 S203 | I131-E186 WeakPolarHBondContact CA-OE1 3.42Å; I131-E186 WeakPolarHBondContact CA-OE2 3.38Å; I131-E186 WeakPolarHBondContact CB-OE2 3.45Å; I131-E186 VanDerWaalsContact CG1-OE2 3.25Å; I131-E186 WeakPolarHBondContact CG1-OE2 3.41Å; I131-E186 WeakPolarHBondContact CG2-OE2 3.34Å; T132-E186 PolarHBondContact N-OE1 2.78Å; E186-L202 HydrophobicContact CB-CB 4.21Å; E186-L202 PolarHBondContact O-N 3.36Å; E186-S203 PolarHBondContact N-OG 3.21Å |
| 187 | V | 83.6 | Confident | 81.2 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.036 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.6 | -171.8 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | L178 F179 T181 I189 M199 W200 | L178-V187 WeakPolarHBondContact CA-O 3.4Å; F179-V187 HydrophobicContact CE1-CB 4.02Å; F179-V187 HydrophobicContact CE1-CG1 3.97Å; F179-V187 HydrophobicContact CZ-CB 4.15Å; F179-V187 HydrophobicContact CZ-CG1 4.19Å; F179-V187 PolarHBondContact N-O 2.83Å; F179-V187 PolarHBondContact O-N 2.81Å; T181-V187 HydrophobicContact CG2-CG2 3.64Å; V187-I189 HydrophobicContact CG1-CG1 4.04Å; V187-M199 HydrophobicContact CG1-CG 3.37Å; V187-M199 HydrophobicContact CG1-SD 3.8Å; V187-W200 WeakPolarHBondContact CA-O 3.46Å |
| 188 | V | 87.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.5 | 168.5 | -169.9 | 0 | 0 | 0 | 0 | 108.3 | L164 F176 L178 M199 W200 L202 | L164-V188 HydrophobicContact CD1-CB 4Å; L164-V188 HydrophobicContact CD1-CG1 3.97Å; L164-V188 HydrophobicContact CD1-CG2 3.81Å; F176-V188 HydrophobicContact CD2-CG1 4.1Å; L178-V188 HydrophobicContact CD2-CG2 3.58Å; L178-V188 HydrophobicContact CG-CB 4.37Å; L178-V188 HydrophobicContact CG-CG1 4.19Å; L178-V188 HydrophobicContact CG-CG2 3.87Å; V188-M199 CarbonylContact O-C 3.58Å; V188-M199 WeakPolarHBondContact O-CA 3.38Å; V188-W200 HydrophobicContact CB-CB 4.31Å; V188-W200 HydrophobicContact CB-CE3 4.29Å; V188-W200 HydrophobicContact CG1-CE3 4.34Å; V188-W200 PolarHBondContact N-O 2.93Å; V188-W200 PolarHBondContact O-N 2.97Å; V188-L202 HydrophobicContact CG2-CD1 3.63Å; V188-L202 HydrophobicContact CG2-CD2 4.23Å; V188-L202 HydrophobicContact CG2-CG 3.95Å |
| 189 | I | 86.6 | Confident | 81.2 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 9% | 0.087 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127.5 | 171.8 | -66 | -179 | 0 | 0 | 0 | 108.4 | F176 C177 F179 V187 I197 K198 M199 L244 | F176-I189 CarbonylContact C-O 3.46Å; F176-I189 WeakPolarHBondContact CA-O 3.4Å; F176-I189 VanDerWaalsContact CB-O 3.3Å; F176-I189 WeakPolarHBondContact CB-O 3.25Å; C177-I189 PolarHBondContact N-O 3.5Å; C177-I189 PolarHBondContact O-N 2.8Å; F179-I189 HydrophobicContact CD1-CD1 4.5Å; F179-I189 HydrophobicContact CE1-CD1 3.4Å; F179-I189 VanDerWaalsContact CE1-CD1 3.4Å; F179-I189 HydrophobicContact CE1-CG1 3.83Å; F179-I189 HydrophobicContact CZ-CD1 3.9Å; V187-I189 HydrophobicContact CG1-CG1 4.04Å; I189-I197 HydrophobicContact CG2-CG2 3.78Å; I189-K198 WeakPolarHBondContact CA-O 3.45Å; I189-M199 HydrophobicContact CD1-CE 4.23Å; I189-M199 HydrophobicContact CG1-CE 4.48Å; I189-M199 HydrophobicContact CG1-CG 4.11Å; I189-L244 HydrophobicContact CG2-CD2 4.24Å |
| 190 | G | 87.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 147.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | A175 I197 K198 | A175-G190 WeakPolarHBondContact O-CA 3.17Å; G190-I197 CarbonylContact O-C 3.33Å; G190-I197 VanDerWaalsContact O-CA 3.31Å; G190-I197 WeakPolarHBondContact O-CA 3.45Å; G190-K198 PolarHBondContact N-O 2.96Å; G190-K198 PolarHBondContact O-N 2.91Å |
| 191 | I | 87.4 | Confident | 81.9 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124 | 171 | -60.1 | 175.8 | 0 | 0 | 0 | 108.3 | L173 S174 A175 F196 I197 A241 L244 L256 | L173-I191 CarbonylContact C-O 3.59Å; S174-I191 PolarHBondContact N-O 2.85Å; S174-I191 PolarHBondContact OG-O 3.45Å; A175-I191 PolarHBondContact N-O 2.8Å; A175-I191 PolarHBondContact O-N 3.13Å; I191-F196 CarbonylContact C-O 3.6Å; I191-F196 VanDerWaalsContact CA-O 3.31Å; I191-F196 WeakPolarHBondContact CA-O 3.29Å; I191-I197 HydrophobicContact CD1-CD1 4.24Å; I191-I197 HydrophobicContact CG1-CD1 3.99Å; I191-I197 HydrophobicContact CG1-CG1 4.09Å; I191-A241 HydrophobicContact CD1-CB 4.49Å; I191-A241 HydrophobicContact CG2-CB 4.42Å; I191-L244 HydrophobicContact CD1-CD1 3.77Å; I191-L244 HydrophobicContact CD1-CD2 4.06Å; I191-L244 HydrophobicContact CD1-CG 4.42Å; I191-L244 HydrophobicContact CG1-CD2 4.08Å; I191-L256 HydrophobicContact CD1-CD1 3.82Å |
| 192 | T | 87.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 162.3 | 177.6 | 68.8 | 0 | 0 | 0 | 0 | 112.7 | D171 W172 L173 S194 G195 F196 K198 | D171-T192 HydrophobicContact CB-CG2 4.11Å; D171-T192 VanDerWaalsContact OD2-CB 3.24Å; D171-T192 WeakPolarHBondContact OD2-CB 3.34Å; D171-T192 PolarHBondContact OD2-OG1 2.98Å; W172-T192 CarbonylContact O-C 3.59Å; W172-T192 VanDerWaalsContact O-CA 3.27Å; W172-T192 WeakPolarHBondContact O-CA 3.42Å; L173-T192 HydrophobicContact CD2-CG2 3.84Å; T192-S194 PolarHBondContact O-N 2.85Å; T192-S194 PolarHBondContact OG1-OG 3.18Å; T192-G195 PolarHBondContact O-N 2.87Å; T192-G195 PolarHBondContact OG1-N 3.44Å; T192-F196 HydrophobicContact CG2-CB 4.11Å; T192-F196 PolarHBondContact N-O 2.83Å; T192-F196 WeakPolarHBondContact OG1-CB 3.21Å; T192-F196 PolarHBondContact OG1-N 3.24Å; T192-F196 PolarHBondContact OG1-O 3.34Å; T192-K198 HydrophobicContact CG2-CD 3.97Å; T192-K198 HydrophobicContact CG2-CG 4.36Å |
| 193 | N | 84.1 | Confident | 82 | Confident | 51 Ų | 51 | 32.2 Ų | 32.2 | 27% | 0.273 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -33.5 | 172.4 | -78 | -23 | 0 | 0 | 0 | 112.4 | D171 W172 S174 G195 | D171-N193 PolarHBondContact OD2-N 3.43Å; W172-N193 PolarHBondContact O-N 2.63Å; S174-N193 VanDerWaalsContact CB-OD1 3.26Å; S174-N193 WeakPolarHBondContact CB-OD1 3.41Å; N193-G195 PolarHBondContact O-N 3.15Å |
| 194 | S | 83.2 | Confident | 81.2 | Confident | 39 Ų | 39 | 28.3 Ų | 28.3 | 27% | 0.273 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -0.8 | 172.9 | 55.2 | 0 | 0 | 0 | 0 | 115 | D171 T192 F196 Y239 | D171-S194 WeakPolarHBondContact OD2-CB 3.2Å; D171-S194 PolarHBondContact OD2-N 3.03Å; D171-S194 PolarHBondContact OD2-OG 3.05Å; T192-S194 PolarHBondContact O-N 2.85Å; T192-S194 PolarHBondContact OG1-OG 3.18Å; S194-F196 WeakPolarHBondContact OG-CD2 3.43Å; S194-Y239 WeakPolarHBondContact O-CE1 3.05Å |
| 195 | G | 79.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 82.8 | 22.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T192 N193 L236 Q237 | T192-G195 PolarHBondContact O-N 2.87Å; T192-G195 PolarHBondContact OG1-N 3.44Å; N193-G195 PolarHBondContact O-N 3.15Å; G195-L236 PolarHBondContact O-N 3.47Å; G195-Q237 PolarHBondContact O-N 2.74Å |
| 196 | F | 85.3 | Confident | 78.9 | Confident | 37 Ų | 37 | 27.5 Ų | 27.5 | 16% | 0.162 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 134.3 | 168 | -74.4 | -95.3 | 0 | 0 | 0 | 111.1 | I191 T192 S194 K234 Q235 | I191-F196 CarbonylContact C-O 3.6Å; I191-F196 VanDerWaalsContact CA-O 3.31Å; I191-F196 WeakPolarHBondContact CA-O 3.29Å; T192-F196 HydrophobicContact CG2-CB 4.11Å; T192-F196 PolarHBondContact N-O 2.83Å; T192-F196 WeakPolarHBondContact OG1-CB 3.21Å; T192-F196 PolarHBondContact OG1-N 3.24Å; T192-F196 PolarHBondContact OG1-O 3.34Å; S194-F196 WeakPolarHBondContact OG-CD2 3.43Å; F196-K234 CarbonylContact C-O 3.55Å; F196-Q235 HydrophobicContact CD1-CB 3.93Å; F196-Q235 HydrophobicContact CD1-CG 4.38Å; F196-Q235 HydrophobicContact CD2-CG 4.44Å; F196-Q235 HydrophobicContact CE1-CB 3.82Å; F196-Q235 HydrophobicContact CE1-CG 4.25Å; F196-Q235 HydrophobicContact CE2-CG 4.32Å; F196-Q235 HydrophobicContact CG-CB 4.46Å; F196-Q235 HydrophobicContact CG-CG 4.48Å; F196-Q235 HydrophobicContact CZ-CB 4.26Å; F196-Q235 HydrophobicContact CZ-CG 4.22Å |
| 197 | I | 83.4 | Confident | 77.3 | Confident | 18 Ų | 18 | 28.7 Ų | 28.7 | 9% | 0.092 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 128.2 | 163.4 | -60.1 | -138.8 | 0 | 0 | 0 | 108.4 | I189 G190 I191 S233 K234 L236 F274 | I189-I197 HydrophobicContact CG2-CG2 3.78Å; G190-I197 CarbonylContact O-C 3.33Å; G190-I197 VanDerWaalsContact O-CA 3.31Å; G190-I197 WeakPolarHBondContact O-CA 3.45Å; I191-I197 HydrophobicContact CD1-CD1 4.24Å; I191-I197 HydrophobicContact CG1-CD1 3.99Å; I191-I197 HydrophobicContact CG1-CG1 4.09Å; I197-S233 CarbonylContact O-C 3.51Å; I197-S233 VanDerWaalsContact O-CA 3.28Å; I197-S233 WeakPolarHBondContact O-CA 3.41Å; I197-K234 PolarHBondContact N-O 3.22Å; I197-K234 PolarHBondContact O-N 3.07Å; I197-L236 HydrophobicContact CD1-CD1 3.32Å; I197-L236 HydrophobicContact CD1-CG 4.23Å; I197-L236 HydrophobicContact CG1-CB 4.18Å; I197-L236 HydrophobicContact CG1-CD1 3.69Å; I197-L236 HydrophobicContact CG1-CG 4.06Å; I197-F274 HydrophobicContact CD1-CE1 4.06Å; I197-F274 HydrophobicContact CD1-CZ 4.27Å |
| 198 | K | 87.1 | Confident | 75.6 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140.1 | 174.9 | -64.2 | -176.6 | -172.3 | -74.7 | 0 | 109.7 | S166 E169 I189 G190 T192 W200 E232 S233 | S166-K198 WeakPolarHBondContact OG-CE 3.47Å; S166-K198 PolarHBondContact OG-NZ 2.89Å; E169-K198 WeakPolarHBondContact O-CE 3.25Å; E169-K198 PolarHBondContact O-NZ 3.16Å; E169-K198 VanDerWaalsContact O-NZ 3.15Å; I189-K198 WeakPolarHBondContact CA-O 3.45Å; G190-K198 PolarHBondContact N-O 2.96Å; G190-K198 PolarHBondContact O-N 2.91Å; T192-K198 HydrophobicContact CG2-CD 3.97Å; T192-K198 HydrophobicContact CG2-CG 4.36Å; K198-W200 HydrophobicContact CB-CE3 4.28Å; K198-W200 HydrophobicContact CB-CH2 3.26Å; K198-W200 HydrophobicContact CB-CZ2 3.92Å; K198-W200 HydrophobicContact CB-CZ3 3.47Å; K198-W200 VanDerWaalsContact CB-CZ3 3.47Å; K198-W200 HydrophobicContact CD-CH2 3.87Å; K198-W200 HydrophobicContact CD-CZ2 4.11Å; K198-W200 HydrophobicContact CG-CH2 4.19Å; K198-W200 WeakPolarHBondContact O-CZ3 3.4Å; K198-E232 WeakPolarHBondContact CA-O 3.4Å; K198-S233 PolarHBondContact NZ-OG 3.33Å |
| 199 | M | 87.3 | Confident | 73.5 | Confident | 53 Ų | 53 | 38.2 Ų | 38.2 | 26% | 0.261 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.2 | -177.2 | -167 | -177.1 | -53 | 0 | 0 | 110.6 | V187 V188 I189 E230 D231 E232 | V187-M199 HydrophobicContact CG1-CG 3.37Å; V187-M199 HydrophobicContact CG1-SD 3.8Å; V188-M199 CarbonylContact O-C 3.58Å; V188-M199 WeakPolarHBondContact O-CA 3.38Å; I189-M199 HydrophobicContact CD1-CE 4.23Å; I189-M199 HydrophobicContact CG1-CE 4.48Å; I189-M199 HydrophobicContact CG1-CG 4.11Å; M199-E230 CarbonylContact O-C 3.56Å; M199-E230 WeakPolarHBondContact O-CA 3.29Å; M199-D231 PolarHBondContact O-N 3.33Å; M199-E232 HydrophobicContact CB-CB 4.29Å; M199-E232 PolarHBondContact N-O 3.32Å; M199-E232 PolarHBondContact O-N 3.41Å |
| 200 | W | 88.3 | Confident | 71.7 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.1 | 174.8 | -61.2 | -101.4 | 0 | 0 | 0 | 109.9 | L164 C165 L173 V187 V188 K198 E230 | L164-W200 HydrophobicContact CB-CD2 4.28Å; L164-W200 HydrophobicContact CB-CG 4.25Å; L164-W200 HydrophobicContact CD1-CB 4.29Å; L164-W200 HydrophobicContact CD1-CD2 4.28Å; L164-W200 HydrophobicContact CD1-CG 4.15Å; L164-W200 HydrophobicContact CD2-CG 4.43Å; C165-W200 PolarHBondContact O-NE1 3.04Å; L173-W200 HydrophobicContact CD1-CH2 4.02Å; L173-W200 HydrophobicContact CD1-CZ3 4.31Å; L173-W200 HydrophobicContact CD2-CH2 4.36Å; V187-W200 WeakPolarHBondContact CA-O 3.46Å; V188-W200 HydrophobicContact CB-CB 4.31Å; V188-W200 HydrophobicContact CB-CE3 4.29Å; V188-W200 HydrophobicContact CG1-CE3 4.34Å; V188-W200 PolarHBondContact N-O 2.93Å; V188-W200 PolarHBondContact O-N 2.97Å; K198-W200 HydrophobicContact CB-CE3 4.28Å; K198-W200 HydrophobicContact CB-CH2 3.26Å; K198-W200 HydrophobicContact CB-CZ2 3.92Å; K198-W200 HydrophobicContact CB-CZ3 3.47Å; K198-W200 VanDerWaalsContact CB-CZ3 3.47Å; K198-W200 HydrophobicContact CD-CH2 3.87Å; K198-W200 HydrophobicContact CD-CZ2 4.11Å; K198-W200 HydrophobicContact CG-CH2 4.19Å; K198-W200 WeakPolarHBondContact O-CZ3 3.4Å; W200-E230 VanDerWaalsContact CD1-CA 3.44Å; W200-E230 VanDerWaalsContact CD1-N 3.33Å; W200-E230 HydrophobicContact CD2-CB 4.24Å; W200-E230 HydrophobicContact CG-CB 4.37Å; W200-E230 HydrophobicContact CZ2-CB 4.24Å |
| 201 | S | 83.6 | Confident | 69.7 | Low | 50 Ų | 50 | 48.8 Ų | 48.8 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 120.4 | 171.3 | -50.5 | 0 | 0 | 0 | 0 | 110.4 | D231 | S201-D231 WeakPolarHBondContact CA-OD2 3.27Å; S201-D231 WeakPolarHBondContact CB-OD2 3.5Å; S201-D231 PolarHBondContact N-OD2 2.89Å; S201-D231 PolarHBondContact OG-OD2 3.25Å |
| 202 | L | 77.6 | Confident | 67.9 | Low | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -91.3 | -23.1 | -178.4 | -55.2 | -178.1 | 0 | 0 | 0 | 112.7 | I131 F142 F162 L164 L178 E186 V188 L213 I228 | I131-L202 HydrophobicContact CD1-CD1 3.59Å; F142-L202 HydrophobicContact CE1-CD1 4.13Å; F142-L202 HydrophobicContact CE2-CD1 4.31Å; F142-L202 HydrophobicContact CZ-CD1 3.54Å; F162-L202 HydrophobicContact CE2-CD2 4.41Å; L164-L202 HydrophobicContact CD2-CD2 3.82Å; L178-L202 HydrophobicContact CD2-CD1 4.39Å; E186-L202 HydrophobicContact CB-CB 4.21Å; E186-L202 PolarHBondContact O-N 3.36Å; V188-L202 HydrophobicContact CG2-CD1 3.63Å; V188-L202 HydrophobicContact CG2-CD2 4.23Å; V188-L202 HydrophobicContact CG2-CG 3.95Å; L202-L213 WeakPolarHBondContact O-CD1 3.09Å; L202-I228 HydrophobicContact CD2-CD1 4.4Å |
| 203 | S | 68.4 | Low | 66.3 | Low | 28 Ų | 28 | 56.5 Ų | 56.5 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -137.5 | 143.2 | 176 | 63.9 | 0 | 0 | 0 | 0 | 110.2 | T185 E186 | T185-S203 WeakPolarHBondContact CB-O 3.3Å; E186-S203 PolarHBondContact N-OG 3.21Å |
| 204 | N | 52.8 | Low | 64.8 | Low | 73 Ų | 73 | 58.6 Ų | 58.6 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | trans | -102.7 | 140.4 | 174.6 | -155.1 | 1.2 | 0 | 0 | 0 | 110.2 | N206 G207 H209 | N204-N206 PolarHBondContact O-N 3.39Å; N204-G207 PolarHBondContact O-N 3.03Å; N204-H209 HydrophobicContact CB-CB 3.93Å; N204-H209 PolarHBondContact ND2-CD2 3.47Å | ||
| 205 | A | 48.2 | Very low | 63.3 | Low | 51 Ų | 51 | 61.5 Ų | 61.5 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K183 T185 | K183-A205 HydrophobicContact CB-CB 4.26Å; K183-A205 WeakPolarHBondContact O-CB 3.45Å; T185-A205 HydrophobicContact CG2-CB 3.87Å |
| 206 | N | 47.5 | Very low | 62.2 | Low | 125 Ų | 125 | 63 Ų | 63 | 67% | 0.668 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 3.1 | -173.8 | -66.6 | 0.3 | 0 | 0 | 0 | 114.1 | N204 D208 | N204-N206 PolarHBondContact O-N 3.39Å; N206-D208 PolarHBondContact O-N 3.38Å |
| 207 | G | 47 | Very low | 60.6 | Low | 40 Ų | 40 | 65.9 Ų | 65.9 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 69.9 | -19.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N204 H209 C210 | N204-G207 PolarHBondContact O-N 3.03Å; G207-H209 VanDerWaalsContact C-N 3.26Å; G207-H209 PolarHBondContact O-N 3.16Å; G207-C210 WeakPolarHBondContact O-CB 3.26Å; G207-C210 PolarHBondContact O-N 3.35Å; G207-C210 PolarHBondContact O-SG 3.34Å |
| 208 | D | 47.5 | Very low | 59.1 | Low | 114 Ų | 114 | 68.9 Ų | 68.9 | 61% | 0.61 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -22.5 | -175.9 | -79 | -25.8 | 0 | 0 | 0 | 114.9 | N206 | N206-D208 PolarHBondContact O-N 3.38Š|
| 209 | H | 44.2 | Very low | 57.4 | Low | 92 Ų | 92 | 72.1 Ų | 72.1 | 43% | 0.426 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 5.4 | 174.9 | -72.3 | -25 | 0 | 0 | 0 | 114.7 | N204 G207 Y211 K212 L213 | N204-H209 HydrophobicContact CB-CB 3.93Å; N204-H209 PolarHBondContact ND2-CD2 3.47Å; G207-H209 VanDerWaalsContact C-N 3.26Å; G207-H209 PolarHBondContact O-N 3.16Å; H209-Y211 PolarHBondContact O-N 3.37Å; H209-Y211 VanDerWaalsContact O-N 3.11Å; H209-K212 PolarHBondContact O-N 3.43Å; H209-L213 PolarHBondContact O-N 3.39Å |
| 210 | C | 47.8 | Very low | 55.6 | Low | 56 Ų | 56 | 71.5 Ų | 71.5 | 38% | 0.378 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -53.4 | -30.3 | 163.4 | -70.2 | 0 | 0 | 0 | 0 | 110.6 | G207 F214 | G207-C210 WeakPolarHBondContact O-CB 3.26Å; G207-C210 PolarHBondContact O-N 3.35Å; G207-C210 PolarHBondContact O-SG 3.34Å; C210-F214 WeakPolarHBondContact O-CA 3.39Å; C210-F214 WeakPolarHBondContact O-CB 3.47Å; C210-F214 PolarHBondContact O-N 3.02Å |
| 211 | Y | 45.9 | Very low | 53.7 | Low | 183 Ų | 183 | 79 Ų | 79 | 72% | 0.718 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.7 | -37.2 | 173.9 | -75 | -77.5 | 0 | 0 | 0 | 114.5 | H209 L213 L215 | H209-Y211 PolarHBondContact O-N 3.37Å; H209-Y211 VanDerWaalsContact O-N 3.11Å; Y211-L213 VanDerWaalsContact C-N 3.33Å; Y211-L215 WeakPolarHBondContact O-CA 3.46Å; Y211-L215 WeakPolarHBondContact O-CB 3.41Å; Y211-L215 PolarHBondContact O-N 3.46Å |
| 212 | K | 49.1 | Very low | 52.1 | Low | 139 Ų | 139 | 83.8 Ų | 83.8 | 60% | 0.604 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 177.9 | -108.2 | -176.9 | 179.6 | 177.5 | 0 | 110.3 | H209 I216 | H209-K212 PolarHBondContact O-N 3.43Å; K212-I216 WeakPolarHBondContact O-CB 3.38Å; K212-I216 WeakPolarHBondContact O-CD1 3.21Å; K212-I216 WeakPolarHBondContact O-CG1 3.35Å; K212-I216 PolarHBondContact O-N 3.05Å |
| 213 | L | 53.5 | Low | 50.7 | Low | 27 Ų | 27 | 85.5 Ų | 85.5 | 14% | 0.141 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -79.4 | -35.1 | -178.8 | -130.9 | 138.2 | 0 | 0 | 0 | 112.4 | W133 L202 H209 Y211 I216 M217 I228 | W133-L213 HydrophobicContact CD2-CD2 3.96Å; W133-L213 VanDerWaalsContact CE2-CD2 3.48Å; W133-L213 HydrophobicContact CG-CD2 4.27Å; W133-L213 HydrophobicContact CZ2-CD2 3.88Å; L202-L213 WeakPolarHBondContact O-CD1 3.09Å; H209-L213 PolarHBondContact O-N 3.39Å; Y211-L213 VanDerWaalsContact C-N 3.33Å; L213-I216 CarbonylContact O-C 3.59Å; L213-I216 WeakPolarHBondContact O-CB 3.37Å; L213-I216 PolarHBondContact O-N 2.95Å; L213-M217 WeakPolarHBondContact O-CB 3.4Å; L213-M217 PolarHBondContact O-N 3.48Å; L213-I228 HydrophobicContact CD1-CD1 4.31Å |
| 214 | F | 53.6 | Low | 50.1 | Low | 95 Ų | 95 | 90.1 Ų | 90.1 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 169.2 | -174.6 | -101.8 | 0 | 0 | 0 | 111.4 | C210 M217 I218 | C210-F214 WeakPolarHBondContact O-CA 3.39Å; C210-F214 WeakPolarHBondContact O-CB 3.47Å; C210-F214 PolarHBondContact O-N 3.02Å; F214-M217 HydrophobicContact CD2-CE 4.11Å; F214-M217 HydrophobicContact CE2-CE 4.3Å; F214-M217 PolarHBondContact O-N 3.32Å; F214-I218 HydrophobicContact CD1-CD1 3.79Å; F214-I218 HydrophobicContact CD1-CG1 4.44Å; F214-I218 HydrophobicContact CE1-CD1 3.39Å; F214-I218 HydrophobicContact CE1-CG1 4.22Å; F214-I218 HydrophobicContact CZ-CD1 4.03Å; F214-I218 WeakPolarHBondContact O-CG1 3.25Å; F214-I218 PolarHBondContact O-N 3.16Å |
| 215 | L | 52 | Low | 50.5 | Low | 99 Ų | 99 | 89.8 Ų | 89.8 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 171.6 | -172.5 | 72.4 | 0 | 0 | 0 | 110.7 | Y211 M217 I218 I219 | Y211-L215 WeakPolarHBondContact O-CA 3.46Å; Y211-L215 WeakPolarHBondContact O-CB 3.41Å; Y211-L215 PolarHBondContact O-N 3.46Å; L215-M217 VanDerWaalsContact C-N 3.27Å; L215-M217 PolarHBondContact O-N 3.43Å; L215-I218 PolarHBondContact O-N 3.45Å; L215-I219 HydrophobicContact CD2-CD1 4.38Å; L215-I219 HydrophobicContact CG-CD1 3.91Å; L215-I219 HydrophobicContact CG-CG1 4.48Å; L215-I219 WeakPolarHBondContact O-CB 3.43Å; L215-I219 WeakPolarHBondContact O-CD1 3.37Å; L215-I219 WeakPolarHBondContact O-CG1 3.43Å; L215-I219 PolarHBondContact O-N 3.24Å |
| 216 | I | 55.2 | Low | 51.6 | Low | 33 Ų | 33 | 87.8 Ų | 87.8 | 17% | 0.169 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -58.9 | -39 | 170.8 | -78.1 | 159.6 | 0 | 0 | 0 | 111 | K212 L213 I219 A220 P226 I228 | K212-I216 WeakPolarHBondContact O-CB 3.38Å; K212-I216 WeakPolarHBondContact O-CD1 3.21Å; K212-I216 WeakPolarHBondContact O-CG1 3.35Å; K212-I216 PolarHBondContact O-N 3.05Å; L213-I216 CarbonylContact O-C 3.59Å; L213-I216 WeakPolarHBondContact O-CB 3.37Å; L213-I216 PolarHBondContact O-N 2.95Å; I216-I219 CarbonylContact O-C 3.52Å; I216-I219 PolarHBondContact O-N 3.35Å; I216-A220 WeakPolarHBondContact O-CB 2.95Å; I216-A220 PolarHBondContact O-N 3.28Å; I216-P226 HydrophobicContact CG2-CB 3.7Å; I216-P226 HydrophobicContact CG2-CG 3.58Å; I216-I228 HydrophobicContact CD1-CD1 4.43Å; I216-I228 HydrophobicContact CD1-CG1 3.93Å |
| 217 | M | 52.1 | Low | 53.1 | Low | 97 Ų | 97 | 83.4 Ų | 83.4 | 48% | 0.478 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -72 | -35.9 | 179.2 | -157.4 | 175.9 | 73.6 | 0 | 0 | 111.7 | L213 F214 L215 A220 L221 | L213-M217 WeakPolarHBondContact O-CB 3.4Å; L213-M217 PolarHBondContact O-N 3.48Å; F214-M217 HydrophobicContact CD2-CE 4.11Å; F214-M217 HydrophobicContact CE2-CE 4.3Å; F214-M217 PolarHBondContact O-N 3.32Å; L215-M217 VanDerWaalsContact C-N 3.27Å; L215-M217 PolarHBondContact O-N 3.43Å; M217-A220 WeakPolarHBondContact O-CB 3.41Å; M217-A220 PolarHBondContact O-N 2.91Å; M217-L221 PolarHBondContact O-N 2.91Å |
| 218 | I | 51.9 | Low | 54.8 | Low | 80 Ų | 80 | 82.4 Ų | 82.4 | 41% | 0.41 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 168.8 | -72.1 | 176.6 | 0 | 0 | 0 | 110.5 | F214 L215 A220 L221 | F214-I218 HydrophobicContact CD1-CD1 3.79Å; F214-I218 HydrophobicContact CD1-CG1 4.44Å; F214-I218 HydrophobicContact CE1-CD1 3.39Å; F214-I218 HydrophobicContact CE1-CG1 4.22Å; F214-I218 HydrophobicContact CZ-CD1 4.03Å; F214-I218 WeakPolarHBondContact O-CG1 3.25Å; F214-I218 PolarHBondContact O-N 3.16Å; L215-I218 PolarHBondContact O-N 3.45Å; I218-A220 VanDerWaalsContact C-N 3.29Å; I218-A220 PolarHBondContact O-N 2.82Å; I218-L221 VanDerWaalsContact O-CB 3.26Å; I218-L221 WeakPolarHBondContact O-CB 3.41Å; I218-L221 PolarHBondContact O-N 3.35Å |
| 219 | I | 51.7 | Low | 56.5 | Low | 72 Ų | 72 | 81.8 Ų | 81.8 | 37% | 0.369 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.9 | -33.6 | 174.1 | -68.5 | 165 | 0 | 0 | 0 | 110 | L215 I216 L221 L222 A223 | L215-I219 HydrophobicContact CD2-CD1 4.38Å; L215-I219 HydrophobicContact CG-CD1 3.91Å; L215-I219 HydrophobicContact CG-CG1 4.48Å; L215-I219 WeakPolarHBondContact O-CB 3.43Å; L215-I219 WeakPolarHBondContact O-CD1 3.37Å; L215-I219 WeakPolarHBondContact O-CG1 3.43Å; L215-I219 PolarHBondContact O-N 3.24Å; I216-I219 CarbonylContact O-C 3.52Å; I216-I219 PolarHBondContact O-N 3.35Å; I219-L221 PolarHBondContact O-N 3.25Å; I219-L222 CarbonylContact O-C 3.46Å; I219-L222 WeakPolarHBondContact O-CA 3.37Å; I219-L222 WeakPolarHBondContact O-CB 3.43Å; I219-L222 PolarHBondContact O-N 3.17Å; I219-A223 HydrophobicContact CG2-CB 3.85Å; I219-A223 WeakPolarHBondContact O-CB 3.44Å; I219-A223 PolarHBondContact O-N 3.31Å |
| 220 | A | 49.6 | Very low | 58.5 | Low | 39 Ų | 39 | 78.3 Ų | 78.3 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.2 | -30 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I216 M217 I218 L222 P226 | I216-A220 WeakPolarHBondContact O-CB 2.95Å; I216-A220 PolarHBondContact O-N 3.28Å; M217-A220 WeakPolarHBondContact O-CB 3.41Å; M217-A220 PolarHBondContact O-N 2.91Å; I218-A220 VanDerWaalsContact C-N 3.29Å; I218-A220 PolarHBondContact O-N 2.82Å; A220-L222 PolarHBondContact O-N 3.22Å; A220-P226 HydrophobicContact CB-CG 3.81Å |
| 221 | L | 48.2 | Very low | 60.2 | Low | 159 Ų | 159 | 80.3 Ų | 80.3 | 83% | 0.832 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -17.3 | 170.9 | -125.6 | 109.6 | 0 | 0 | 0 | 112.6 | M217 I218 I219 | M217-L221 PolarHBondContact O-N 2.91Å; I218-L221 VanDerWaalsContact O-CB 3.26Å; I218-L221 WeakPolarHBondContact O-CB 3.41Å; I218-L221 PolarHBondContact O-N 3.35Å; I219-L221 PolarHBondContact O-N 3.25Å |
| 222 | L | 51.1 | Low | 62 | Low | 152 Ų | 152 | 77.7 Ų | 77.7 | 80% | 0.796 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -19.5 | -176.5 | -68.9 | 168.1 | 0 | 0 | 0 | 114.3 | I219 A220 | I219-L222 CarbonylContact O-C 3.46Å; I219-L222 WeakPolarHBondContact O-CA 3.37Å; I219-L222 WeakPolarHBondContact O-CB 3.43Å; I219-L222 PolarHBondContact O-N 3.17Å; A220-L222 PolarHBondContact O-N 3.22Å |
| 223 | A | 47.7 | Very low | 63.7 | Low | 41 Ų | 41 | 72.9 Ų | 72.9 | 34% | 0.339 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -131.2 | 135.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I219 N225 | I219-A223 HydrophobicContact CG2-CB 3.85Å; I219-A223 WeakPolarHBondContact O-CB 3.44Å; I219-A223 PolarHBondContact O-N 3.31Å; A223-N225 PolarHBondContact O-N 3.19Å |
| 224 | C | 54.8 | Low | 65.1 | Low | 126 Ų | 126 | 78.7 Ų | 78.7 | 85% | 0.851 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -68.7 | 115.6 | 171.8 | -57.7 | 0 | 0 | 0 | 0 | 109.2 | ||
| 225 | N | 61.8 | Low | 66.4 | Low | 65 Ų | 65 | 78.9 Ų | 78.9 | 35% | 0.348 | 42% | 0.422 | S | S | . | . | S | Bend | trans | 59 | 80.4 | 175.4 | -52.1 | -29.1 | 0 | 0 | 0 | 114.8 | N160 A223 | N160-N225 VanDerWaalsContact CB-OD1 3.32Å; N160-N225 WeakPolarHBondContact CB-OD1 3.2Å; N160-N225 PolarHBondContact ND2-OD1 3.24Å; N160-N225 VanDerWaalsContact ND2-OD1 3.11Å; A223-N225 PolarHBondContact O-N 3.19Å |
| 226 | P | 70.7 | Confident | 67.3 | Low | 10 Ų | 10 | 77.1 Ų | 77.1 | 7% | 0.065 | 41% | 0.412 | C | S | . | . | trans | -64.7 | 142.1 | 176.4 | 29.2 | -36.9 | 0 | 0 | 0 | 112.1 | F162 C163 I216 A220 | F162-P226 WeakPolarHBondContact CA-O 3.38Å; F162-P226 HydrophobicContact CB-CG 3.82Å; F162-P226 VanDerWaalsContact CB-O 3.25Å; F162-P226 WeakPolarHBondContact CB-O 3.44Å; C163-P226 PolarHBondContact N-O 3.26Å; I216-P226 HydrophobicContact CG2-CB 3.7Å; I216-P226 HydrophobicContact CG2-CG 3.58Å; A220-P226 HydrophobicContact CB-CG 3.81Å | ||
| 227 | A | 79.9 | Confident | 68.1 | Low | 33 Ų | 33 | 82.4 Ų | 82.4 | 27% | 0.273 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 132.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C163 C165 Y229 | C163-A227 CarbonylContact O-C 3.55Å; C163-A227 WeakPolarHBondContact O-CA 3.43Å; C165-A227 HydrophobicContact CB-CB 4.3Å; C165-A227 WeakPolarHBondContact SG-CB 3.4Å; A227-Y229 HydrophobicContact CB-CE2 4.32Å |
| 228 | I | 82.4 | Confident | 69.1 | Low | 19 Ų | 19 | 79.3 Ų | 79.3 | 10% | 0.097 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.6 | 167.7 | -58.2 | 179 | 0 | 0 | 0 | 108.3 | F162 C163 L164 C165 L202 L213 I216 | F162-I228 HydrophobicContact CD2-CD1 3.62Å; F162-I228 HydrophobicContact CD2-CG1 4.15Å; F162-I228 HydrophobicContact CE2-CD1 3.67Å; F162-I228 HydrophobicContact CG-CD1 4.3Å; F162-I228 HydrophobicContact CZ-CD1 4.39Å; C163-I228 PolarHBondContact O-N 2.81Å; L164-I228 CarbonylContact C-O 3.44Å; L164-I228 VanDerWaalsContact CA-O 3.31Å; L164-I228 WeakPolarHBondContact CA-O 3.45Å; L164-I228 HydrophobicContact CD2-CB 3.72Å; L164-I228 HydrophobicContact CD2-CD1 4.19Å; L164-I228 HydrophobicContact CD2-CG1 4.4Å; L164-I228 HydrophobicContact CD2-CG2 4.1Å; C165-I228 PolarHBondContact N-O 2.93Å; L202-I228 HydrophobicContact CD2-CD1 4.4Å; L213-I228 HydrophobicContact CD1-CD1 4.31Å; I216-I228 HydrophobicContact CD1-CD1 4.43Å; I216-I228 HydrophobicContact CD1-CG1 3.93Å |
| 229 | Y | 84 | Confident | 70.3 | Confident | 100 Ų | 100 | 80.9 Ų | 80.9 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 157.3 | -178.5 | -62.5 | -78.4 | 0 | 0 | 0 | 112 | C165 R167 A227 | C165-Y229 HydrophobicContact CB-CD1 3.87Å; C165-Y229 HydrophobicContact CB-CE1 3.77Å; C165-Y229 WeakPolarHBondContact O-CA 3.4Å; R167-Y229 HydrophobicContact CB-CD1 4.49Å; R167-Y229 HydrophobicContact CG-CD1 3.27Å; R167-Y229 HydrophobicContact CG-CE1 3.9Å; R167-Y229 HydrophobicContact CG-CG 3.65Å; R167-Y229 VanDerWaalsContact NE-CB 3.33Å; R167-Y229 VanDerWaalsContact NH2-CD2 3.29Å; A227-Y229 HydrophobicContact CB-CE2 4.32Å |
| 230 | E | 85.9 | Confident | 71.6 | Confident | 19 Ų | 19 | 82.1 Ų | 82.1 | 9% | 0.089 | 43% | 0.432 | C | S | . | . | trans | -66.4 | 146.8 | -178.7 | 74.1 | -81.1 | -140.4 | 0 | 0 | 112.5 | S166 R167 V168 M199 W200 | S166-E230 WeakPolarHBondContact CA-OE1 3.39Å; S166-E230 WeakPolarHBondContact CA-OE2 3.45Å; S166-E230 WeakPolarHBondContact CB-OE1 3.41Å; S166-E230 PolarHBondContact OG-OE1 2.83Å; R167-E230 VanDerWaalsContact N-CD 3.25Å; R167-E230 PolarHBondContact N-OE1 3.24Å; R167-E230 PolarHBondContact N-OE2 2.93Å; V168-E230 PolarHBondContact N-OE1 2.85Å; V168-E230 VanDerWaalsContact N-OE1 3.1Å; M199-E230 CarbonylContact O-C 3.56Å; M199-E230 WeakPolarHBondContact O-CA 3.29Å; W200-E230 VanDerWaalsContact CD1-CA 3.44Å; W200-E230 VanDerWaalsContact CD1-N 3.33Å; W200-E230 HydrophobicContact CD2-CB 4.24Å; W200-E230 HydrophobicContact CG-CB 4.37Å; W200-E230 HydrophobicContact CZ2-CB 4.24Å | ||
| 231 | D | 83.5 | Confident | 73.1 | Confident | 99 Ų | 99 | 80.4 Ų | 80.4 | 53% | 0.529 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -86 | -40 | 172.9 | -62 | -54.4 | 0 | 0 | 0 | 111.1 | M199 S201 | M199-D231 PolarHBondContact O-N 3.33Å; S201-D231 WeakPolarHBondContact CA-OD2 3.27Å; S201-D231 WeakPolarHBondContact CB-OD2 3.5Å; S201-D231 PolarHBondContact N-OD2 2.89Å; S201-D231 PolarHBondContact OG-OD2 3.25Å |
| 232 | E | 83.1 | Confident | 74.8 | Confident | 127 Ų | 127 | 77 Ų | 77 | 59% | 0.593 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 144 | -179.2 | -64.1 | -171.4 | 175 | 0 | 0 | 111.3 | K198 M199 | K198-E232 WeakPolarHBondContact CA-O 3.4Å; M199-E232 HydrophobicContact CB-CB 4.29Å; M199-E232 PolarHBondContact N-O 3.32Å; M199-E232 PolarHBondContact O-N 3.41Å |
| 233 | S | 85.1 | Confident | 76.5 | Confident | 38 Ų | 38 | 70.7 Ų | 70.7 | 27% | 0.266 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 122 | 173.5 | -178.6 | 0 | 0 | 0 | 0 | 109.2 | I197 K198 | I197-S233 CarbonylContact O-C 3.51Å; I197-S233 VanDerWaalsContact O-CA 3.28Å; I197-S233 WeakPolarHBondContact O-CA 3.41Å; K198-S233 PolarHBondContact NZ-OG 3.33Å |
| 234 | K | 82.2 | Confident | 78.4 | Confident | 149 Ų | 149 | 69.2 Ų | 69.2 | 65% | 0.648 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 138.2 | -176.1 | -175.3 | 178.3 | 179.7 | -178.3 | 0 | 111.5 | F196 I197 | F196-K234 CarbonylContact C-O 3.55Å; I197-K234 PolarHBondContact N-O 3.22Å; I197-K234 PolarHBondContact O-N 3.07Å |
| 235 | Q | 81.3 | Confident | 80 | Confident | 100 Ų | 100 | 65.1 Ų | 65.1 | 47% | 0.467 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 131.6 | 179.2 | -158.7 | 172 | 12.7 | 0 | 0 | 112.1 | F196 | F196-Q235 HydrophobicContact CD1-CB 3.93Å; F196-Q235 HydrophobicContact CD1-CG 4.38Å; F196-Q235 HydrophobicContact CD2-CG 4.44Å; F196-Q235 HydrophobicContact CE1-CB 3.82Å; F196-Q235 HydrophobicContact CE1-CG 4.25Å; F196-Q235 HydrophobicContact CE2-CG 4.32Å; F196-Q235 HydrophobicContact CG-CB 4.46Å; F196-Q235 HydrophobicContact CG-CG 4.48Å; F196-Q235 HydrophobicContact CZ-CB 4.26Å; F196-Q235 HydrophobicContact CZ-CG 4.22Å |
| 236 | L | 70.4 | Confident | 81.3 | Confident | 62 Ų | 62 | 63 Ų | 63 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | trans | -124.8 | 4.8 | 176.7 | -80 | -173.1 | 0 | 0 | 0 | 114.9 | G195 I197 C238 F274 | G195-L236 PolarHBondContact O-N 3.47Å; I197-L236 HydrophobicContact CD1-CD1 3.32Å; I197-L236 HydrophobicContact CD1-CG 4.23Å; I197-L236 HydrophobicContact CG1-CB 4.18Å; I197-L236 HydrophobicContact CG1-CD1 3.69Å; I197-L236 HydrophobicContact CG1-CG 4.06Å; L236-C238 PolarHBondContact O-N 3.3Å; L236-C238 VanDerWaalsContact O-N 3.09Å; L236-F274 HydrophobicContact CD1-CD1 4.22Å; L236-F274 HydrophobicContact CD1-CE1 4.39Å; L236-F274 HydrophobicContact CD1-CG 4.33Å | ||
| 237 | Q | 72.9 | Confident | 82 | Confident | 143 Ų | 143 | 62.6 Ų | 62.6 | 67% | 0.668 | 31% | 0.309 | S | S | * | . | trans | 58.2 | 18.6 | 178.2 | -59.8 | -177 | -20.7 | 0 | 0 | 115.3 | G195 Y239 | G195-Q237 PolarHBondContact O-N 2.74Å; Q237-Y239 HydrophobicContact CB-CE2 3.92Å; Q237-Y239 HydrophobicContact CG-CE2 4.44Å; Q237-Y239 WeakPolarHBondContact O-CD2 3.46Å; Q237-Y239 WeakPolarHBondContact O-CE2 3.46Å; Q237-Y239 PolarHBondContact O-N 3.3Å | ||
| 238 | C | 72.6 | Confident | 81.9 | Confident | 32 Ų | 32 | 64 Ų | 64 | 22% | 0.216 | 32% | 0.315 | C | S | . | . | trans | -86.9 | 74 | 173.1 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | L236 L256 | L236-C238 PolarHBondContact O-N 3.3Å; L236-C238 VanDerWaalsContact O-N 3.09Å; C238-L256 HydrophobicContact CB-CD2 4.26Å | ||
| 239 | Y | 77.3 | Confident | 81.9 | Confident | 114 Ų | 114 | 67 Ų | 67 | 45% | 0.447 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 142.1 | -176.6 | -55.3 | -80.6 | 0 | 0 | 0 | 112.7 | S194 Q237 A241 | S194-Y239 WeakPolarHBondContact O-CE1 3.05Å; Q237-Y239 HydrophobicContact CB-CE2 3.92Å; Q237-Y239 HydrophobicContact CG-CE2 4.44Å; Q237-Y239 WeakPolarHBondContact O-CD2 3.46Å; Q237-Y239 WeakPolarHBondContact O-CE2 3.46Å; Q237-Y239 PolarHBondContact O-N 3.3Å; Y239-A241 VanDerWaalsContact C-N 3.34Å; Y239-A241 PolarHBondContact O-N 3.29Å |
| 240 | L | 78.7 | Confident | 81.9 | Confident | 98 Ų | 98 | 65.1 Ų | 65.1 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 41.8 | 172.7 | -56.2 | 175.3 | 0 | 0 | 0 | 114.5 | H242 P259 | L240-H242 PolarHBondContact O-N 3.36Å; L240-H242 PolarHBondContact O-ND1 3.47Å; L240-P259 HydrophobicContact CB-CG 3.88Å; L240-P259 WeakPolarHBondContact O-CD 3.46Å |
| 241 | A | 82.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 68 Ų | 68 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | trans | -58.4 | 128.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S174 A175 I191 Y239 L256 T258 | S174-A241 CarbonylContact C-O 3.28Å; S174-A241 WeakPolarHBondContact CB-O 3.22Å; A175-A241 HydrophobicContact CB-CB 4.18Å; I191-A241 HydrophobicContact CD1-CB 4.49Å; I191-A241 HydrophobicContact CG2-CB 4.42Å; Y239-A241 VanDerWaalsContact C-N 3.34Å; Y239-A241 PolarHBondContact O-N 3.29Å; A241-L256 HydrophobicContact CB-CD1 3.73Å; A241-T258 HydrophobicContact CB-CG2 3.87Å | ||
| 242 | H | 83.1 | Confident | 81.6 | Confident | 87 Ų | 87 | 70.2 Ų | 70.2 | 40% | 0.403 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -85.8 | -30.9 | 178.6 | -68.3 | 72.9 | 0 | 0 | 0 | 111.8 | L240 V257 | L240-H242 PolarHBondContact O-N 3.36Å; L240-H242 PolarHBondContact O-ND1 3.47Å; H242-V257 HydrophobicContact CB-CG1 4.38Å; H242-V257 PolarHBondContact N-O 3.45Å |
| 243 | T | 86.8 | Confident | 81.8 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 12% | 0.123 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 137.1 | -176.2 | -66.5 | 0 | 0 | 0 | 0 | 110 | V245 L256 V257 G290 G291 | T243-V245 HydrophobicContact CG2-CG2 3.57Å; T243-L256 WeakPolarHBondContact O-CA 3.28Å; T243-V257 HydrophobicContact CG2-CG2 4.46Å; T243-V257 PolarHBondContact N-O 3.05Å; T243-V257 PolarHBondContact O-N 2.63Å; T243-G290 WeakPolarHBondContact OG1-CA 3.26Å; T243-G291 WeakPolarHBondContact CG2-O 3.08Å |
| 244 | L | 88.4 | Confident | 81.9 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 114.9 | 172.1 | -176.2 | 72.4 | 0 | 0 | 0 | 107.3 | A175 C177 I189 I191 L254 L255 L256 | A175-L244 HydrophobicContact CB-CB 3.77Å; C177-L244 HydrophobicContact CB-CG 4.45Å; C177-L244 WeakPolarHBondContact CB-O 3.26Å; I189-L244 HydrophobicContact CG2-CD2 4.24Å; I191-L244 HydrophobicContact CD1-CD1 3.77Å; I191-L244 HydrophobicContact CD1-CD2 4.06Å; I191-L244 HydrophobicContact CD1-CG 4.42Å; I191-L244 HydrophobicContact CG1-CD2 4.08Å; L244-L254 HydrophobicContact CD1-CD1 3.67Å; L244-L254 HydrophobicContact CD1-CD2 4.09Å; L244-L254 HydrophobicContact CD1-CG 4.04Å; L244-L254 HydrophobicContact CG-CD1 4.14Å; L244-L255 WeakPolarHBondContact CA-O 3.15Å; L244-L256 HydrophobicContact CD1-CD1 3.93Å |
| 245 | V | 87.8 | Confident | 82.3 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 24% | 0.242 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 120.4 | -177.1 | 175 | 0 | 0 | 0 | 0 | 109.8 | T243 L255 F293 | T243-V245 HydrophobicContact CG2-CG2 3.57Å; V245-L255 HydrophobicContact CB-CB 4.4Å; V245-L255 PolarHBondContact N-O 3.42Å; V245-L255 PolarHBondContact O-N 2.72Å; V245-F293 HydrophobicContact CG1-CD2 4.2Å |
| 246 | I | 88.1 | Confident | 82.6 | Confident | 21 Ų | 21 | 51.9 Ų | 51.9 | 11% | 0.108 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 133.3 | 165.6 | -67.8 | 170.6 | 0 | 0 | 0 | 108.2 | F179 P251 L254 | F179-I246 HydrophobicContact CB-CD1 3.98Å; F179-I246 HydrophobicContact CD1-CD1 3.26Å; F179-I246 HydrophobicContact CD2-CD1 4.35Å; F179-I246 HydrophobicContact CE1-CD1 3.78Å; F179-I246 HydrophobicContact CG-CD1 3.6Å; F179-I246 HydrophobicContact CZ-CD1 4.49Å; I246-P251 HydrophobicContact CG2-CB 4.41Å; I246-L254 HydrophobicContact CB-CD1 4.5Å; I246-L254 HydrophobicContact CD1-CD1 4.3Å; I246-L254 HydrophobicContact CG1-CD1 3.38Å |
| 247 | S | 86.9 | Confident | 83.5 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | trans | -62.6 | 125.5 | 177.9 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | F249 N250 S253 | S247-F249 PolarHBondContact O-N 3.4Å; S247-F249 PolarHBondContact OG-N 3.04Å; S247-N250 WeakPolarHBondContact CB-O 3.43Å; S247-N250 CarbonylContact O-C 3.54Å; S247-N250 VanDerWaalsContact O-C 3.31Å; S247-N250 PolarHBondContact O-N 3.06Å; S247-N250 PolarHBondContact OG-N 3.28Å; S247-S253 PolarHBondContact N-O 3.34Å | ||
| 248 | P | 76.8 | Confident | 84.1 | Confident | 64 Ų | 64 | 43 Ų | 43 | 42% | 0.416 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -69.5 | -14.2 | 175.1 | 29.6 | -34.3 | 0 | 0 | 0 | 112.3 | R41 | R41-P248 VanDerWaalsContact NH1-CB 3.26Š|
| 249 | F | 82.9 | Confident | 84.3 | Confident | 81 Ų | 81 | 43.5 Ų | 43.5 | 36% | 0.355 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -94.8 | -26.1 | -179.6 | -44.7 | -75.8 | 0 | 0 | 0 | 112.8 | S247 F293 V294 Q295 V296 | S247-F249 PolarHBondContact O-N 3.4Å; S247-F249 PolarHBondContact OG-N 3.04Å; F249-F293 HydrophobicContact CD2-CB 4.07Å; F249-F293 HydrophobicContact CE2-CB 3.92Å; F249-V294 VanDerWaalsContact CZ-O 3.25Å; F249-V294 WeakPolarHBondContact CZ-O 3.32Å; F249-Q295 WeakPolarHBondContact CD2-O 3.36Å; F249-V296 HydrophobicContact CB-CB 4.21Å; F249-V296 HydrophobicContact CB-CG2 3.49Å; F249-V296 VanDerWaalsContact CB-CG2 3.49Å; F249-V296 HydrophobicContact CG-CG2 4.15Å |
| 250 | N | 83.2 | Confident | 84 | Confident | 61 Ų | 61 | 41 Ų | 41 | 33% | 0.326 | 22% | 0.217 | S | C | . | . | trans | -145.9 | 100.3 | 177.2 | 179.5 | 3.9 | 0 | 0 | 0 | 108.9 | S247 R252 S253 | S247-N250 WeakPolarHBondContact CB-O 3.43Å; S247-N250 CarbonylContact O-C 3.54Å; S247-N250 VanDerWaalsContact O-C 3.31Å; S247-N250 PolarHBondContact O-N 3.06Å; S247-N250 PolarHBondContact OG-N 3.28Å; N250-R252 PolarHBondContact O-N 3.03Å; N250-R252 WeakPolarHBondContact OD1-CB 3.36Å; N250-R252 PolarHBondContact OD1-N 3.44Å; N250-R252 VanDerWaalsContact OD1-N 3.12Å; N250-S253 PolarHBondContact ND2-OG 3.21Å; N250-S253 PolarHBondContact O-N 3.36Å | ||
| 251 | P | 80 | Confident | 83.3 | Confident | 78 Ų | 78 | 44.1 Ų | 44.1 | 51% | 0.506 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -9.5 | -175.8 | 27.3 | -35.1 | 0 | 0 | 0 | 113.5 | I246 S271 | I246-P251 HydrophobicContact CG2-CB 4.41Å; P251-S271 PolarHBondContact O-OG 3.06Å |
| 252 | R | 84.1 | Confident | 82.2 | Confident | 146 Ų | 146 | 48.8 Ų | 48.8 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -16.6 | 169.5 | -69.7 | -150 | 171.7 | -178.6 | -1.3 | 114.2 | N250 D270 S271 | N250-R252 PolarHBondContact O-N 3.03Å; N250-R252 WeakPolarHBondContact OD1-CB 3.36Å; N250-R252 PolarHBondContact OD1-N 3.44Å; N250-R252 VanDerWaalsContact OD1-N 3.12Å; R252-D270 CarbonylContact O-C 3.4Å; R252-D270 WeakPolarHBondContact O-CA 3.45Å; R252-S271 WeakPolarHBondContact CA-OG 3.38Å; R252-S271 PolarHBondContact O-N 3.44Å |
| 253 | S | 87.2 | Confident | 81.4 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 117.6 | -179.4 | -57.9 | 0 | 0 | 0 | 0 | 110.5 | S247 N250 | S247-S253 PolarHBondContact N-O 3.34Å; N250-S253 PolarHBondContact ND2-OG 3.21Å; N250-S253 PolarHBondContact O-N 3.36Å |
| 254 | L | 87.2 | Confident | 80.7 | Confident | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 112.9 | 178.5 | 179.2 | 72.3 | 0 | 0 | 0 | 109.7 | L244 I246 I268 Y269 F274 | L244-L254 HydrophobicContact CD1-CD1 3.67Å; L244-L254 HydrophobicContact CD1-CD2 4.09Å; L244-L254 HydrophobicContact CD1-CG 4.04Å; L244-L254 HydrophobicContact CG-CD1 4.14Å; I246-L254 HydrophobicContact CB-CD1 4.5Å; I246-L254 HydrophobicContact CD1-CD1 4.3Å; I246-L254 HydrophobicContact CG1-CD1 3.38Å; L254-I268 CarbonylContact O-C 3.5Å; L254-I268 WeakPolarHBondContact O-CA 3.47Å; L254-Y269 PolarHBondContact N-O 3.09Å; L254-Y269 PolarHBondContact O-N 3.25Å; L254-F274 HydrophobicContact CD2-CD1 4.01Å; L254-F274 HydrophobicContact CD2-CE1 3.73Å |
| 255 | L | 90.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 128.8 | 170.9 | 171 | 64.8 | 0 | 0 | 0 | 110.1 | L244 V245 V257 A266 S267 I268 G291 F293 L299 | L244-L255 WeakPolarHBondContact CA-O 3.15Å; V245-L255 HydrophobicContact CB-CB 4.4Å; V245-L255 PolarHBondContact N-O 3.42Å; V245-L255 PolarHBondContact O-N 2.72Å; L255-V257 HydrophobicContact CD1-CG2 4.17Å; L255-V257 HydrophobicContact CG-CG2 4.35Å; L255-A266 HydrophobicContact CD1-CB 4.22Å; L255-S267 CarbonylContact C-O 3.55Å; L255-S267 WeakPolarHBondContact CA-O 3.35Å; L255-I268 HydrophobicContact CB-CD1 3.57Å; L255-I268 HydrophobicContact CD1-CD1 3.47Å; L255-I268 VanDerWaalsContact CD1-CD1 3.47Å; L255-I268 HydrophobicContact CG-CD1 4.07Å; L255-G291 VanDerWaalsContact CD2-C 3.45Å; L255-G291 WeakPolarHBondContact CD2-O 3.48Å; L255-F293 HydrophobicContact CB-CD2 4.37Å; L255-F293 HydrophobicContact CB-CE2 3.54Å; L255-F293 HydrophobicContact CB-CZ 4.09Å; L255-L299 HydrophobicContact CD2-CD2 4.15Å |
| 256 | L | 88.6 | Confident | 80.3 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 122 | 173.6 | -179.9 | 66.4 | 0 | 0 | 0 | 109.4 | I191 C238 A241 T243 L244 T258 S267 Y269 | I191-L256 HydrophobicContact CD1-CD1 3.82Å; C238-L256 HydrophobicContact CB-CD2 4.26Å; A241-L256 HydrophobicContact CB-CD1 3.73Å; T243-L256 WeakPolarHBondContact O-CA 3.28Å; L244-L256 HydrophobicContact CD1-CD1 3.93Å; L256-T258 HydrophobicContact CD1-CG2 3.94Å; L256-T258 HydrophobicContact CD2-CG2 3.92Å; L256-T258 HydrophobicContact CG-CG2 3.7Å; L256-S267 PolarHBondContact N-O 3.18Å; L256-S267 PolarHBondContact O-N 2.83Å; L256-S267 PolarHBondContact O-OG 3.05Å; L256-Y269 HydrophobicContact CB-CD2 4.12Å; L256-Y269 HydrophobicContact CB-CE2 4Å; L256-Y269 HydrophobicContact CD2-CD2 4.49Å; L256-Y269 HydrophobicContact CD2-CE2 3.85Å |
| 257 | V | 89.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 114.6 | 174.2 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | H242 T243 L255 V264 L265 A266 W288 | H242-V257 HydrophobicContact CB-CG1 4.38Å; H242-V257 PolarHBondContact N-O 3.45Å; T243-V257 HydrophobicContact CG2-CG2 4.46Å; T243-V257 PolarHBondContact N-O 3.05Å; T243-V257 PolarHBondContact O-N 2.63Å; L255-V257 HydrophobicContact CD1-CG2 4.17Å; L255-V257 HydrophobicContact CG-CG2 4.35Å; V257-V264 HydrophobicContact CG1-CG1 3.68Å; V257-L265 WeakPolarHBondContact CA-O 3.37Å; V257-A266 HydrophobicContact CG2-CB 4.14Å; V257-W288 HydrophobicContact CG1-CB 3.66Å |
| 258 | T | 84.9 | Confident | 80.4 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144.2 | -175.1 | 47.8 | 0 | 0 | 0 | 0 | 111.9 | A241 L256 V264 L265 | A241-T258 HydrophobicContact CB-CG2 3.87Å; L256-T258 HydrophobicContact CD1-CG2 3.94Å; L256-T258 HydrophobicContact CD2-CG2 3.92Å; L256-T258 HydrophobicContact CG-CG2 3.7Å; T258-V264 WeakPolarHBondContact O-CG1 3.28Å; T258-L265 PolarHBondContact N-O 3.35Å; T258-L265 PolarHBondContact O-N 3.49Å |
| 259 | P | 77.4 | Confident | 80.7 | Confident | 41 Ų | 41 | 43 Ų | 43 | 27% | 0.266 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 140.3 | 172.6 | 30.9 | -30.8 | 0 | 0 | 0 | 109.9 | L240 | L240-P259 HydrophobicContact CB-CG 3.88Å; L240-P259 WeakPolarHBondContact O-CD 3.46Å |
| 260 | T | 69.7 | Low | 80.8 | Confident | 62 Ų | 62 | 40.4 Ų | 40.4 | 38% | 0.38 | 23% | 0.234 | S | C | . | . | trans | -119.4 | 168.4 | 170.6 | 73.6 | 0 | 0 | 0 | 0 | 109.4 | A262 S263 L265 | T260-A262 PolarHBondContact O-N 3.32Å; T260-A262 VanDerWaalsContact O-N 3.11Å; T260-S263 CarbonylContact C-O 3.52Å; T260-S263 VanDerWaalsContact CA-O 3.29Å; T260-S263 WeakPolarHBondContact CA-O 3.36Å; T260-S263 WeakPolarHBondContact CB-O 3.46Å; T260-S263 PolarHBondContact N-O 3Å; T260-S263 VanDerWaalsContact O-O 3.09Å; T260-S263 PolarHBondContact OG1-N 2.93Å; T260-S263 PolarHBondContact OG1-O 3.45Å; T260-S263 PolarHBondContact OG1-OG 3Å; T260-L265 HydrophobicContact CG2-CB 3.84Å | ||
| 261 | V | 63.5 | Low | 80.6 | Confident | 164 Ų | 164 | 39.1 Ų | 39.1 | 99% | 0.994 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -55.1 | -33.5 | -176.4 | -178.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 262 | A | 60.7 | Low | 80.4 | Confident | 100 Ų | 100 | 38.9 Ų | 38.9 | 83% | 0.826 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -113.6 | -18.7 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | T260 | T260-A262 PolarHBondContact O-N 3.32Å; T260-A262 VanDerWaalsContact O-N 3.11Å |
| 263 | S | 66.3 | Low | 80.1 | Confident | 27 Ų | 27 | 36.5 Ų | 36.5 | 19% | 0.189 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -158.8 | 175.9 | -174 | 63.2 | 0 | 0 | 0 | 0 | 111 | T260 H281 | T260-S263 CarbonylContact C-O 3.52Å; T260-S263 VanDerWaalsContact CA-O 3.29Å; T260-S263 WeakPolarHBondContact CA-O 3.36Å; T260-S263 WeakPolarHBondContact CB-O 3.46Å; T260-S263 PolarHBondContact N-O 3Å; T260-S263 VanDerWaalsContact O-O 3.09Å; T260-S263 PolarHBondContact OG1-N 2.93Å; T260-S263 PolarHBondContact OG1-O 3.45Å; T260-S263 PolarHBondContact OG1-OG 3Å; S263-H281 PolarHBondContact OG-ND1 3Å; S263-H281 VanDerWaalsContact OG-ND1 3.15Å |
| 264 | V | 70.7 | Confident | 79.5 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 134.9 | 164.1 | -174 | 0 | 0 | 0 | 0 | 108.2 | V257 T258 S282 R287 W288 | V257-V264 HydrophobicContact CG1-CG1 3.68Å; T258-V264 WeakPolarHBondContact O-CG1 3.28Å; V264-S282 PolarHBondContact N-OG 2.63Å; V264-S282 PolarHBondContact O-N 3.38Å; V264-R287 HydrophobicContact CG2-CB 3.6Å; V264-R287 HydrophobicContact CG2-CG 3.86Å; V264-W288 HydrophobicContact CB-CB 4.07Å; V264-W288 HydrophobicContact CB-CG 4.46Å; V264-W288 HydrophobicContact CG1-CB 3.73Å; V264-W288 HydrophobicContact CG1-CG 4.42Å; V264-W288 VanDerWaalsContact O-CD1 3.26Å |
| 265 | L | 82.3 | Confident | 79.4 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.6 | -180 | -168.9 | 76.9 | 0 | 0 | 0 | 109.8 | V257 T258 T260 A279 H281 | V257-L265 WeakPolarHBondContact CA-O 3.37Å; T258-L265 PolarHBondContact N-O 3.35Å; T258-L265 PolarHBondContact O-N 3.49Å; T260-L265 HydrophobicContact CG2-CB 3.84Å; L265-A279 HydrophobicContact CD1-CB 3.77Å; L265-A279 HydrophobicContact CD2-CB 3.93Å; L265-A279 HydrophobicContact CG-CB 3.93Å; L265-H281 VanDerWaalsContact CD1-CE1 3.49Å; L265-H281 WeakPolarHBondContact CD1-CE1 3.3Å |
| 266 | A | 87.2 | Confident | 79 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | L255 V257 A279 C280 L301 | L255-A266 HydrophobicContact CD1-CB 4.22Å; V257-A266 HydrophobicContact CG2-CB 4.14Å; A266-A279 CarbonylContact O-C 3.52Å; A266-A279 WeakPolarHBondContact O-CA 3.28Å; A266-C280 HydrophobicContact CB-CB 4.42Å; A266-C280 PolarHBondContact N-O 3.41Å; A266-C280 PolarHBondContact O-N 2.96Å; A266-L301 HydrophobicContact CB-CD1 3.6Å; A266-L301 HydrophobicContact CB-CD2 3.96Å; A266-L301 HydrophobicContact CB-CG 4.47Å |
| 267 | S | 87.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137.2 | -170.9 | 45.1 | 0 | 0 | 0 | 0 | 110.5 | L255 L256 Y269 | L255-S267 CarbonylContact C-O 3.55Å; L255-S267 WeakPolarHBondContact CA-O 3.35Å; L256-S267 PolarHBondContact N-O 3.18Å; L256-S267 PolarHBondContact O-N 2.83Å; L256-S267 PolarHBondContact O-OG 3.05Å; S267-Y269 VanDerWaalsContact OG-CE2 3.23Å; S267-Y269 WeakPolarHBondContact OG-CE2 3.34Å |
| 268 | I | 88.1 | Confident | 78.6 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124 | 176.6 | -56.5 | -51.4 | 0 | 0 | 0 | 108.6 | L254 L255 L277 C278 F293 L299 L313 | L254-I268 CarbonylContact O-C 3.5Å; L254-I268 WeakPolarHBondContact O-CA 3.47Å; L255-I268 HydrophobicContact CB-CD1 3.57Å; L255-I268 HydrophobicContact CD1-CD1 3.47Å; L255-I268 VanDerWaalsContact CD1-CD1 3.47Å; L255-I268 HydrophobicContact CG-CD1 4.07Å; I268-L277 HydrophobicContact CG2-CB 4.36Å; I268-L277 HydrophobicContact CG2-CD1 4.1Å; I268-L277 WeakPolarHBondContact O-CA 3.47Å; I268-L277 WeakPolarHBondContact O-CB 3.39Å; I268-L277 PolarHBondContact O-N 2.75Å; I268-C278 PolarHBondContact N-O 3.45Å; I268-C278 PolarHBondContact O-N 3.29Å; I268-F293 HydrophobicContact CD1-CE1 4.36Å; I268-F293 HydrophobicContact CD1-CE2 4.42Å; I268-F293 HydrophobicContact CD1-CZ 3.71Å; I268-L299 HydrophobicContact CD1-CD1 3.83Å; I268-L299 HydrophobicContact CD1-CD2 4.43Å; I268-L299 HydrophobicContact CG1-CD1 4.12Å; I268-L313 HydrophobicContact CG1-CD2 4.36Å |
| 269 | Y | 84.8 | Confident | 78.7 | Confident | 52 Ų | 52 | 46.3 Ų | 46.3 | 20% | 0.204 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 157.1 | 177 | -66.9 | -91.4 | 0 | 0 | 0 | 111.5 | L254 L256 S267 F274 T275 L276 | L254-Y269 PolarHBondContact N-O 3.09Å; L254-Y269 PolarHBondContact O-N 3.25Å; L256-Y269 HydrophobicContact CB-CD2 4.12Å; L256-Y269 HydrophobicContact CB-CE2 4Å; L256-Y269 HydrophobicContact CD2-CD2 4.49Å; L256-Y269 HydrophobicContact CD2-CE2 3.85Å; S267-Y269 VanDerWaalsContact OG-CE2 3.23Å; S267-Y269 WeakPolarHBondContact OG-CE2 3.34Å; Y269-F274 VanDerWaalsContact CD1-O 3.29Å; Y269-F274 WeakPolarHBondContact CD1-O 3.49Å; Y269-T275 CarbonylContact C-O 3.52Å; Y269-T275 WeakPolarHBondContact CA-O 3.11Å; Y269-L276 HydrophobicContact CD1-CB 3.98Å; Y269-L276 HydrophobicContact CD1-CD1 4.26Å; Y269-L276 HydrophobicContact CD2-CD1 4.45Å; Y269-L276 HydrophobicContact CE1-CB 3.69Å; Y269-L276 HydrophobicContact CE1-CD1 3.89Å; Y269-L276 HydrophobicContact CE1-CG 4.37Å; Y269-L276 HydrophobicContact CE2-CD1 4.09Å |
| 270 | D | 83.4 | Confident | 79.1 | Confident | 27 Ų | 27 | 44.9 Ų | 44.9 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 119.2 | 161.8 | -172.3 | -42.4 | 0 | 0 | 0 | 109.2 | R252 S272 N273 F274 T275 L277 | R252-D270 CarbonylContact O-C 3.4Å; R252-D270 WeakPolarHBondContact O-CA 3.45Å; D270-S272 PolarHBondContact O-N 3.22Å; D270-S272 WeakPolarHBondContact OD1-CB 3.37Å; D270-S272 PolarHBondContact OD1-N 3.39Å; D270-S272 PolarHBondContact OD1-OG 3.44Å; D270-N273 PolarHBondContact O-N 2.83Å; D270-F274 WeakPolarHBondContact O-CA 3.17Å; D270-F274 PolarHBondContact O-N 2.99Å; D270-T275 PolarHBondContact N-O 2.99Å; D270-L277 HydrophobicContact CB-CD2 4.36Å |
| 271 | S | 79.7 | Confident | 79.8 | Confident | 34 Ų | 34 | 46.7 Ų | 46.7 | 24% | 0.238 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18 | -176.3 | 69 | 0 | 0 | 0 | 0 | 114.3 | P251 R252 | P251-S271 PolarHBondContact O-OG 3.06Å; R252-S271 WeakPolarHBondContact CA-OG 3.38Å; R252-S271 PolarHBondContact O-N 3.44Å |
| 272 | S | 77.1 | Confident | 80.7 | Confident | 74 Ų | 74 | 39.4 Ų | 39.4 | 52% | 0.517 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -28.4 | -178 | 66.8 | 0 | 0 | 0 | 0 | 113.5 | D270 | D270-S272 PolarHBondContact O-N 3.22Å; D270-S272 WeakPolarHBondContact OD1-CB 3.37Å; D270-S272 PolarHBondContact OD1-N 3.39Å; D270-S272 PolarHBondContact OD1-OG 3.44Å |
| 273 | N | 76.6 | Confident | 81.4 | Confident | 96 Ų | 96 | 36.9 Ų | 36.9 | 51% | 0.513 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.9 | 3.6 | -176.5 | 67.9 | 12 | 0 | 0 | 0 | 114.1 | D270 T275 | D270-N273 PolarHBondContact O-N 2.83Å; N273-T275 VanDerWaalsContact C-N 3.29Å; N273-T275 PolarHBondContact ND2-OG1 3.2Å; N273-T275 PolarHBondContact O-N 3.34Å; N273-T275 VanDerWaalsContact OD1-CB 3.3Å; N273-T275 WeakPolarHBondContact OD1-CB 3.45Å; N273-T275 PolarHBondContact OD1-N 3.44Å; N273-T275 PolarHBondContact OD1-OG1 3.34Å |
| 274 | F | 75.6 | Confident | 81.8 | Confident | 85 Ų | 85 | 47.6 Ų | 47.6 | 37% | 0.373 | 24% | 0.243 | S | C | . | . | trans | 57.6 | 32.8 | -178.5 | -61.8 | -88.7 | 0 | 0 | 0 | 114.5 | I197 L236 L254 Y269 D270 | I197-F274 HydrophobicContact CD1-CE1 4.06Å; I197-F274 HydrophobicContact CD1-CZ 4.27Å; L236-F274 HydrophobicContact CD1-CD1 4.22Å; L236-F274 HydrophobicContact CD1-CE1 4.39Å; L236-F274 HydrophobicContact CD1-CG 4.33Å; L254-F274 HydrophobicContact CD2-CD1 4.01Å; L254-F274 HydrophobicContact CD2-CE1 3.73Å; Y269-F274 VanDerWaalsContact CD1-O 3.29Å; Y269-F274 WeakPolarHBondContact CD1-O 3.49Å; D270-F274 WeakPolarHBondContact O-CA 3.17Å; D270-F274 PolarHBondContact O-N 2.99Å | ||
| 275 | T | 83.4 | Confident | 82 | Confident | 61 Ų | 61 | 51.5 Ų | 51.5 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | trans | -77.6 | 130.4 | 173.5 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | Y269 D270 N273 L277 | Y269-T275 CarbonylContact C-O 3.52Å; Y269-T275 WeakPolarHBondContact CA-O 3.11Å; D270-T275 PolarHBondContact N-O 2.99Å; N273-T275 VanDerWaalsContact C-N 3.29Å; N273-T275 PolarHBondContact ND2-OG1 3.2Å; N273-T275 PolarHBondContact O-N 3.34Å; N273-T275 VanDerWaalsContact OD1-CB 3.3Å; N273-T275 WeakPolarHBondContact OD1-CB 3.45Å; N273-T275 PolarHBondContact OD1-N 3.44Å; N273-T275 PolarHBondContact OD1-OG1 3.34Å; T275-L277 PolarHBondContact O-N 3.22Å | ||
| 276 | L | 82.6 | Confident | 81.7 | Confident | 39 Ų | 39 | 52.5 Ų | 52.5 | 20% | 0.204 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 121.7 | 176.1 | -179.2 | 66.8 | 0 | 0 | 0 | 110.7 | Y269 C278 I319 F320 | Y269-L276 HydrophobicContact CD1-CB 3.98Å; Y269-L276 HydrophobicContact CD1-CD1 4.26Å; Y269-L276 HydrophobicContact CD2-CD1 4.45Å; Y269-L276 HydrophobicContact CE1-CB 3.69Å; Y269-L276 HydrophobicContact CE1-CD1 3.89Å; Y269-L276 HydrophobicContact CE1-CG 4.37Å; Y269-L276 HydrophobicContact CE2-CD1 4.09Å; L276-C278 WeakPolarHBondContact CD1-O 3.17Å; L276-I319 WeakPolarHBondContact O-CG2 3.46Å; L276-F320 HydrophobicContact CD2-CD1 4.01Å; L276-F320 HydrophobicContact CD2-CE1 4.05Å |
| 277 | L | 84.1 | Confident | 81.4 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 23% | 0.225 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -56 | 177.1 | -56.8 | -177.2 | 0 | 0 | 0 | 111 | I268 D270 T275 I319 F320 | I268-L277 HydrophobicContact CG2-CB 4.36Å; I268-L277 HydrophobicContact CG2-CD1 4.1Å; I268-L277 WeakPolarHBondContact O-CA 3.47Å; I268-L277 WeakPolarHBondContact O-CB 3.39Å; I268-L277 PolarHBondContact O-N 2.75Å; D270-L277 HydrophobicContact CB-CD2 4.36Å; T275-L277 PolarHBondContact O-N 3.22Å; L277-I319 WeakPolarHBondContact O-CA 3.15Å; L277-F320 PolarHBondContact O-N 3.28Å |
| 278 | C | 86 | Confident | 81.3 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 7% | 0.074 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 167.1 | 179 | 64.5 | 0 | 0 | 0 | 0 | 111.1 | I268 L276 A321 | I268-C278 PolarHBondContact N-O 3.45Å; I268-C278 PolarHBondContact O-N 3.29Å; L276-C278 WeakPolarHBondContact CD1-O 3.17Å; C278-A321 HydrophobicContact CB-CB 4.37Å; C278-A321 WeakPolarHBondContact CB-O 3.41Å |
| 279 | A | 85.9 | Confident | 81.1 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 161.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L265 A266 A321 V322 V323 | L265-A279 HydrophobicContact CD1-CB 3.77Å; L265-A279 HydrophobicContact CD2-CB 3.93Å; L265-A279 HydrophobicContact CG-CB 3.93Å; A266-A279 CarbonylContact O-C 3.52Å; A266-A279 WeakPolarHBondContact O-CA 3.28Å; A279-A321 PolarHBondContact N-O 3.45Å; A279-A321 VanDerWaalsContact N-O 3.08Å; A279-V322 WeakPolarHBondContact O-CA 3.47Å; A279-V323 PolarHBondContact O-N 2.98Å |
| 280 | C | 85.8 | Confident | 81.2 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 7% | 0.074 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 127 | 180 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | A266 L301 H311 V323 | A266-C280 HydrophobicContact CB-CB 4.42Å; A266-C280 PolarHBondContact N-O 3.41Å; A266-C280 PolarHBondContact O-N 2.96Å; C280-L301 HydrophobicContact CB-CD1 4.31Å; C280-H311 PolarHBondContact SG-CE1 2.94Å; C280-V323 PolarHBondContact SG-O 2.73Å |
| 281 | H | 84.4 | Confident | 81.4 | Confident | 100 Ų | 100 | 59.1 Ų | 59.1 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 146.4 | 176.1 | -71.5 | -85.7 | 0 | 0 | 0 | 111.2 | S263 L265 W288 | S263-H281 PolarHBondContact OG-ND1 3Å; S263-H281 VanDerWaalsContact OG-ND1 3.15Å; L265-H281 VanDerWaalsContact CD1-CE1 3.49Å; L265-H281 WeakPolarHBondContact CD1-CE1 3.3Å; H281-W288 VanDerWaalsContact C-NE1 3.35Å |
| 282 | S | 82.1 | Confident | 81.9 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 150.6 | 169.6 | 61.7 | 0 | 0 | 0 | 0 | 111.2 | V264 E286 W288 | V264-S282 PolarHBondContact N-OG 2.63Å; V264-S282 PolarHBondContact O-N 3.38Å; S282-E286 WeakPolarHBondContact CB-O 3.24Å; S282-E286 PolarHBondContact OG-O 2.81Å; S282-W288 VanDerWaalsContact CA-NE1 3.28Å |
| 283 | P | 76.8 | Confident | 82.3 | Confident | 46 Ų | 46 | 55.2 Ų | 55.2 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 154.4 | 171 | -22.6 | 32.5 | 0 | 0 | 0 | 111.9 | G285 E286 F309 | P283-G285 PolarHBondContact O-N 2.9Å; P283-E286 HydrophobicContact CB-CB 4.31Å; P283-E286 PolarHBondContact O-N 3.42Å; P283-F309 HydrophobicContact CG-CE1 3.91Å; P283-F309 HydrophobicContact CG-CE2 4.19Å; P283-F309 HydrophobicContact CG-CZ 3.64Å |
| 284 | R | 73.8 | Confident | 82.6 | Confident | 253 Ų | 253 | 52.1 Ų | 52.1 | 96% | 0.955 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 130.1 | 179 | -74.6 | -173.2 | 177 | 177.6 | -0.2 | 110.7 | ||
| 285 | G | 74.6 | Confident | 82.9 | Confident | 83 Ų | 83 | 52 Ų | 52 | 86% | 0.856 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | -16.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P283 | P283-G285 PolarHBondContact O-N 2.9Š|
| 286 | E | 76 | Confident | 82.8 | Confident | 51 Ų | 51 | 53.3 Ų | 53.3 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | trans | -108.7 | 161.3 | -175.1 | -65.6 | -55.7 | 143.1 | 0 | 0 | 112.9 | S282 P283 C303 S304 | S282-E286 WeakPolarHBondContact CB-O 3.24Å; S282-E286 PolarHBondContact OG-O 2.81Å; P283-E286 HydrophobicContact CB-CB 4.31Å; P283-E286 PolarHBondContact O-N 3.42Å; E286-C303 HydrophobicContact CB-CB 4.39Å; E286-S304 PolarHBondContact OE2-OG 3.28Å | ||
| 287 | R | 82.3 | Confident | 82.9 | Confident | 170 Ų | 170 | 53.2 Ų | 53.2 | 64% | 0.642 | 28% | 0.278 | S | S | * | . | trans | -129.6 | 129.2 | 178.6 | -64.7 | -170.7 | -180 | -152.5 | -0.7 | 109.5 | V264 L289 C303 | V264-R287 HydrophobicContact CG2-CB 3.6Å; V264-R287 HydrophobicContact CG2-CG 3.86Å; R287-L289 PolarHBondContact O-N 3.15Å; R287-C303 WeakPolarHBondContact O-CA 3.1Å; R287-C303 WeakPolarHBondContact O-CB 3.46Å | ||
| 288 | W | 84.9 | Confident | 83 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 128.3 | 168.9 | -62 | 128.8 | 0 | 0 | 0 | 109.5 | V257 V264 H281 S282 L301 C303 F309 H311 | V257-W288 HydrophobicContact CG1-CB 3.66Å; V264-W288 HydrophobicContact CB-CB 4.07Å; V264-W288 HydrophobicContact CB-CG 4.46Å; V264-W288 HydrophobicContact CG1-CB 3.73Å; V264-W288 HydrophobicContact CG1-CG 4.42Å; V264-W288 VanDerWaalsContact O-CD1 3.26Å; H281-W288 VanDerWaalsContact C-NE1 3.35Å; S282-W288 VanDerWaalsContact CA-NE1 3.28Å; W288-L301 HydrophobicContact CD2-CB 3.97Å; W288-L301 HydrophobicContact CD2-CD1 4.13Å; W288-L301 HydrophobicContact CE3-CB 3.49Å; W288-L301 VanDerWaalsContact CE3-CB 3.49Å; W288-L301 HydrophobicContact CE3-CD1 4.46Å; W288-L301 HydrophobicContact CH2-CB 3.73Å; W288-L301 HydrophobicContact CH2-CD1 4.08Å; W288-L301 HydrophobicContact CZ2-CB 4.17Å; W288-L301 HydrophobicContact CZ2-CD1 3.7Å; W288-L301 HydrophobicContact CZ3-CB 3.35Å; W288-L301 HydrophobicContact CZ3-CD1 4.43Å; W288-C303 HydrophobicContact CE3-CB 4.39Å; W288-F309 HydrophobicContact CH2-CB 3.68Å; W288-F309 HydrophobicContact CH2-CD1 4.32Å; W288-F309 AromaticContact CH2-CD2 3.64Å; W288-F309 HydrophobicContact CH2-CD2 3.64Å; W288-F309 HydrophobicContact CH2-CE2 4.35Å; W288-F309 AromaticContact CH2-CG 3.62Å; W288-F309 HydrophobicContact CH2-CG 3.62Å; W288-F309 HydrophobicContact CZ3-CB 3.99Å; W288-F309 AromaticContact CZ3-CD2 3.46Å; W288-F309 HydrophobicContact CZ3-CD2 3.46Å; W288-F309 VanDerWaalsContact CZ3-CD2 3.46Å; W288-F309 HydrophobicContact CZ3-CE2 4.18Å; W288-F309 AromaticContact CZ3-CG 3.9Å; W288-F309 HydrophobicContact CZ3-CG 3.9Å; W288-H311 AromaticContact CH2-NE2 3.72Å; W288-H311 AromaticContact CZ2-NE2 3.92Å |
| 289 | L | 82.4 | Confident | 83 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 28% | 0.283 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -26.3 | 173.4 | -66.3 | -178.5 | 0 | 0 | 0 | 111.6 | I34 R287 W302 | I34-L289 WeakPolarHBondContact O-CD1 3.48Å; R287-L289 PolarHBondContact O-N 3.15Å; L289-W302 PolarHBondContact N-O 2.81Å |
| 290 | G | 86.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | -178.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T243 L301 W302 | T243-G290 WeakPolarHBondContact OG1-CA 3.26Å; G290-L301 WeakPolarHBondContact O-CA 3.35Å; G290-W302 PolarHBondContact O-N 3Å; G290-W302 VanDerWaalsContact O-N 3.17Å |
| 291 | G | 89.2 | Confident | 83.2 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 156.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T243 L255 I300 W302 | T243-G291 WeakPolarHBondContact CG2-O 3.08Å; L255-G291 VanDerWaalsContact CD2-C 3.45Å; L255-G291 WeakPolarHBondContact CD2-O 3.48Å; G291-I300 CarbonylContact C-O 3.45Å; G291-I300 WeakPolarHBondContact CA-O 3.42Å; G291-W302 VanDerWaalsContact CA-CZ3 3.42Å; G291-W302 VanDerWaalsContact N-CH2 3.33Å |
| 292 | A | 88.6 | Confident | 83.3 | Confident | 20 Ų | 20 | 47.8 Ų | 47.8 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 155 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L39 L299 I300 W302 | L39-A292 HydrophobicContact CD1-CB 3.68Å; A292-L299 WeakPolarHBondContact O-CA 3.27Å; A292-I300 HydrophobicContact CB-CG2 4.26Å; A292-I300 PolarHBondContact N-O 3.37Å; A292-I300 PolarHBondContact O-N 3.47Å; A292-W302 HydrophobicContact CB-CZ3 4.37Å |
| 293 | F | 87.4 | Confident | 83.4 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 123.5 | 171.7 | -69.8 | -93.2 | 0 | 0 | 0 | 110.4 | V245 F249 L255 I268 L299 L313 | V245-F293 HydrophobicContact CG1-CD2 4.2Å; F249-F293 HydrophobicContact CD2-CB 4.07Å; F249-F293 HydrophobicContact CE2-CB 3.92Å; L255-F293 HydrophobicContact CB-CD2 4.37Å; L255-F293 HydrophobicContact CB-CE2 3.54Å; L255-F293 HydrophobicContact CB-CZ 4.09Å; I268-F293 HydrophobicContact CD1-CE1 4.36Å; I268-F293 HydrophobicContact CD1-CE2 4.42Å; I268-F293 HydrophobicContact CD1-CZ 3.71Å; F293-L299 HydrophobicContact CB-CD2 4.31Å; F293-L299 HydrophobicContact CD1-CD2 3.34Å; F293-L299 HydrophobicContact CD1-CG 4.33Å; F293-L299 HydrophobicContact CD2-CD2 3.92Å; F293-L299 HydrophobicContact CE1-CD2 3.49Å; F293-L299 VanDerWaalsContact CE1-CD2 3.49Å; F293-L299 HydrophobicContact CE1-CG 4.35Å; F293-L299 HydrophobicContact CE2-CD2 4.06Å; F293-L299 HydrophobicContact CG-CD2 3.58Å; F293-L299 HydrophobicContact CZ-CD2 3.85Å; F293-L313 HydrophobicContact CE1-CD1 3.96Å |
| 294 | V | 82.6 | Confident | 83.3 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -34.3 | 174.1 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | L39 L60 F249 K298 I300 L310 | L39-V294 HydrophobicContact CD1-CG2 3.82Å; L60-V294 HydrophobicContact CD1-CG1 4.47Å; F249-V294 VanDerWaalsContact CZ-O 3.25Å; F249-V294 WeakPolarHBondContact CZ-O 3.32Å; V294-K298 PolarHBondContact N-O 2.86Å; V294-I300 HydrophobicContact CG2-CB 3.75Å; V294-I300 HydrophobicContact CG2-CG2 3.69Å; V294-L310 HydrophobicContact CG2-CD1 3.94Å |
| 295 | Q | 81 | Confident | 83.4 | Confident | 84 Ų | 84 | 39.7 Ų | 39.7 | 39% | 0.393 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 176.3 | 174.5 | -63.2 | -175.3 | -28.2 | 0 | 0 | 109.4 | F249 D297 K298 | F249-Q295 WeakPolarHBondContact CD2-O 3.36Å; Q295-D297 PolarHBondContact O-N 3.1Å; Q295-K298 HydrophobicContact CB-CB 4.08Å; Q295-K298 HydrophobicContact CB-CG 4.33Å; Q295-K298 PolarHBondContact N-O 3.09Å; Q295-K298 PolarHBondContact O-N 2.61Å; Q295-K298 VanDerWaalsContact OE1-CD 3.29Å; Q295-K298 VanDerWaalsContact OE1-CE 3.25Å |
| 296 | V | 82.4 | Confident | 83.2 | Confident | 88 Ų | 88 | 36.2 Ų | 36.2 | 53% | 0.533 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -43 | 176.7 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | F249 | F249-V296 HydrophobicContact CB-CB 4.21Å; F249-V296 HydrophobicContact CB-CG2 3.49Å; F249-V296 VanDerWaalsContact CB-CG2 3.49Å; F249-V296 HydrophobicContact CG-CG2 4.15Å |
| 297 | D | 83.8 | Confident | 83.4 | Confident | 37 Ų | 37 | 33.9 Ų | 33.9 | 20% | 0.198 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 17.6 | -175.7 | 70.3 | -32.5 | 0 | 0 | 0 | 113 | Q295 Q312 L313 | Q295-D297 PolarHBondContact O-N 3.1Å; D297-Q312 CarbonylContact O-C 3.55Å; D297-Q312 WeakPolarHBondContact O-CA 3.41Å; D297-Q312 PolarHBondContact OD2-NE2 2.98Å; D297-L313 HydrophobicContact CB-CB 4.48Å; D297-L313 WeakPolarHBondContact O-CB 3.13Å; D297-L313 PolarHBondContact O-N 3.27Å |
| 298 | K | 85.3 | Confident | 83.3 | Confident | 30 Ų | 30 | 26.2 Ų | 26.2 | 13% | 0.13 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 136.8 | -178.9 | -60.3 | -175.9 | -171.6 | 156.6 | 0 | 113.4 | L64 V294 Q295 H311 Q312 | L64-K298 HydrophobicContact CD1-CD 3.98Å; L64-K298 HydrophobicContact CD2-CD 4.42Å; V294-K298 PolarHBondContact N-O 2.86Å; Q295-K298 HydrophobicContact CB-CB 4.08Å; Q295-K298 HydrophobicContact CB-CG 4.33Å; Q295-K298 PolarHBondContact N-O 3.09Å; Q295-K298 PolarHBondContact O-N 2.61Å; Q295-K298 VanDerWaalsContact OE1-CD 3.29Å; Q295-K298 VanDerWaalsContact OE1-CE 3.25Å; K298-H311 CarbonylContact C-O 3.58Å; K298-H311 VanDerWaalsContact CA-O 3.28Å; K298-H311 WeakPolarHBondContact CA-O 3.38Å; K298-Q312 HydrophobicContact CG-CB 4.47Å; K298-Q312 HydrophobicContact CG-CG 4.33Å |
| 299 | L | 87.4 | Confident | 83.3 | Confident | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 143.4 | -180 | -66 | 172.9 | 0 | 0 | 0 | 110.4 | L255 I268 A292 F293 L310 H311 L313 | L255-L299 HydrophobicContact CD2-CD2 4.15Å; I268-L299 HydrophobicContact CD1-CD1 3.83Å; I268-L299 HydrophobicContact CD1-CD2 4.43Å; I268-L299 HydrophobicContact CG1-CD1 4.12Å; A292-L299 WeakPolarHBondContact O-CA 3.27Å; F293-L299 HydrophobicContact CB-CD2 4.31Å; F293-L299 HydrophobicContact CD1-CD2 3.34Å; F293-L299 HydrophobicContact CD1-CG 4.33Å; F293-L299 HydrophobicContact CD2-CD2 3.92Å; F293-L299 HydrophobicContact CE1-CD2 3.49Å; F293-L299 VanDerWaalsContact CE1-CD2 3.49Å; F293-L299 HydrophobicContact CE1-CG 4.35Å; F293-L299 HydrophobicContact CE2-CD2 4.06Å; F293-L299 HydrophobicContact CG-CD2 3.58Å; F293-L299 HydrophobicContact CZ-CD2 3.85Å; L299-L310 CarbonylContact O-C 3.53Å; L299-L310 WeakPolarHBondContact O-CA 3.38Å; L299-L310 WeakPolarHBondContact O-CD1 3.46Å; L299-H311 HydrophobicContact CB-CB 4.32Å; L299-H311 PolarHBondContact N-O 2.96Å; L299-H311 PolarHBondContact O-N 3.06Å; L299-L313 HydrophobicContact CD1-CD1 4.14Å; L299-L313 HydrophobicContact CD1-CD2 3.67Å; L299-L313 HydrophobicContact CD1-CG 4.13Å; L299-L313 HydrophobicContact CG-CD1 4.1Å; L299-L313 HydrophobicContact CG-CD2 4.3Å; L299-L313 HydrophobicContact CG-CG 4.22Å |
| 300 | I | 87 | Confident | 83.3 | Confident | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.8 | 162.1 | -166.8 | 168.7 | 0 | 0 | 0 | 108.4 | L37 L39 G291 A292 V294 W302 A308 F309 L310 | L37-I300 HydrophobicContact CD1-CD1 4.23Å; L37-I300 HydrophobicContact CD2-CG2 4.5Å; L39-I300 HydrophobicContact CD1-CG2 3.87Å; L39-I300 HydrophobicContact CD2-CG2 4.28Å; L39-I300 HydrophobicContact CG-CG2 4.44Å; G291-I300 CarbonylContact C-O 3.45Å; G291-I300 WeakPolarHBondContact CA-O 3.42Å; A292-I300 HydrophobicContact CB-CG2 4.26Å; A292-I300 PolarHBondContact N-O 3.37Å; A292-I300 PolarHBondContact O-N 3.47Å; V294-I300 HydrophobicContact CG2-CB 3.75Å; V294-I300 HydrophobicContact CG2-CG2 3.69Å; I300-W302 HydrophobicContact CG2-CZ3 4.39Å; I300-A308 HydrophobicContact CD1-CB 4.24Å; I300-A308 HydrophobicContact CG1-CB 4.37Å; I300-F309 CarbonylContact C-O 3.51Å; I300-F309 WeakPolarHBondContact CA-O 3.32Å; I300-L310 HydrophobicContact CB-CD1 3.97Å; I300-L310 HydrophobicContact CG1-CD1 4.41Å |
| 301 | L | 88.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.4 | 176.8 | -57.1 | -179 | 0 | 0 | 0 | 108.4 | A266 C280 W288 G290 F309 | A266-L301 HydrophobicContact CB-CD1 3.6Å; A266-L301 HydrophobicContact CB-CD2 3.96Å; A266-L301 HydrophobicContact CB-CG 4.47Å; C280-L301 HydrophobicContact CB-CD1 4.31Å; W288-L301 HydrophobicContact CD2-CB 3.97Å; W288-L301 HydrophobicContact CD2-CD1 4.13Å; W288-L301 HydrophobicContact CE3-CB 3.49Å; W288-L301 VanDerWaalsContact CE3-CB 3.49Å; W288-L301 HydrophobicContact CE3-CD1 4.46Å; W288-L301 HydrophobicContact CH2-CB 3.73Å; W288-L301 HydrophobicContact CH2-CD1 4.08Å; W288-L301 HydrophobicContact CZ2-CB 4.17Å; W288-L301 HydrophobicContact CZ2-CD1 3.7Å; W288-L301 HydrophobicContact CZ3-CB 3.35Å; W288-L301 HydrophobicContact CZ3-CD1 4.43Å; G290-L301 WeakPolarHBondContact O-CA 3.35Å; L301-F309 PolarHBondContact N-O 2.75Å; L301-F309 PolarHBondContact O-N 3.28Å |
| 302 | W | 86.8 | Confident | 82.9 | Confident | 20 Ų | 20 | 28.8 Ų | 28.8 | 8% | 0.076 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 153.1 | -179 | 60 | 90.5 | 0 | 0 | 0 | 112 | L37 L289 G290 G291 A292 I300 A307 A308 | L37-W302 HydrophobicContact CB-CD2 3.72Å; L37-W302 HydrophobicContact CB-CE3 3.76Å; L37-W302 HydrophobicContact CB-CG 4.31Å; L37-W302 HydrophobicContact CB-CH2 4.07Å; L37-W302 HydrophobicContact CB-CZ2 4.05Å; L37-W302 HydrophobicContact CB-CZ3 3.93Å; L37-W302 HydrophobicContact CD1-CB 4.47Å; L37-W302 HydrophobicContact CD1-CD2 4.3Å; L37-W302 HydrophobicContact CD1-CE3 4.02Å; L37-W302 HydrophobicContact CD2-CE3 4.31Å; L37-W302 HydrophobicContact CD2-CZ3 4.16Å; L37-W302 HydrophobicContact CG-CE3 4.27Å; L37-W302 HydrophobicContact CG-CZ3 4.49Å; L289-W302 PolarHBondContact N-O 2.81Å; G290-W302 PolarHBondContact O-N 3Å; G290-W302 VanDerWaalsContact O-N 3.17Å; G291-W302 VanDerWaalsContact CA-CZ3 3.42Å; G291-W302 VanDerWaalsContact N-CH2 3.33Å; A292-W302 HydrophobicContact CB-CZ3 4.37Å; I300-W302 HydrophobicContact CG2-CZ3 4.39Å; W302-A307 WeakPolarHBondContact CA-O 3.21Å; W302-A308 HydrophobicContact CB-CB 4.47Å |
| 303 | C | 84.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 175.6 | -178.7 | 51.9 | 0 | 0 | 0 | 0 | 113 | E286 R287 W288 D305 G306 A307 F309 | E286-C303 HydrophobicContact CB-CB 4.39Å; R287-C303 WeakPolarHBondContact O-CA 3.1Å; R287-C303 WeakPolarHBondContact O-CB 3.46Å; W288-C303 HydrophobicContact CE3-CB 4.39Å; C303-D305 VanDerWaalsContact C-N 3.33Å; C303-D305 PolarHBondContact O-N 3.02Å; C303-D305 PolarHBondContact SG-OD1 3.28Å; C303-G306 PolarHBondContact O-N 3.25Å; C303-A307 PolarHBondContact N-O 2.94Å; C303-A307 VanDerWaalsContact N-O 3.14Å; C303-F309 VanDerWaalsContact SG-CE2 3.51Å |
| 304 | S | 74.5 | Confident | 82 | Confident | 56 Ų | 56 | 31.2 Ų | 31.2 | 39% | 0.392 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -22.1 | -170.2 | 39.8 | 0 | 0 | 0 | 0 | 115.7 | E286 G306 | E286-S304 PolarHBondContact OE2-OG 3.28Å; S304-G306 PolarHBondContact O-N 3.34Å |
| 305 | D | 74.6 | Confident | 81.4 | Confident | 85 Ų | 85 | 40.6 Ų | 40.6 | 46% | 0.455 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -5.8 | 176.2 | 71.5 | -15.1 | 0 | 0 | 0 | 113.5 | C303 A307 | C303-D305 VanDerWaalsContact C-N 3.33Å; C303-D305 PolarHBondContact O-N 3.02Å; C303-D305 PolarHBondContact SG-OD1 3.28Å; D305-A307 VanDerWaalsContact OD1-CB 3.26Å; D305-A307 WeakPolarHBondContact OD1-CB 3.44Å; D305-A307 PolarHBondContact OD1-N 3.22Å |
| 306 | G | 71.5 | Confident | 80.5 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 89.4 | 8.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I34 C303 S304 | I34-G306 WeakPolarHBondContact CD1-O 3.38Å; C303-G306 PolarHBondContact O-N 3.25Å; S304-G306 PolarHBondContact O-N 3.34Å |
| 307 | A | 80.5 | Confident | 79.1 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | trans | -84.7 | 139 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | W302 C303 D305 F309 V328 T330 | W302-A307 WeakPolarHBondContact CA-O 3.21Å; C303-A307 PolarHBondContact N-O 2.94Å; C303-A307 VanDerWaalsContact N-O 3.14Å; D305-A307 VanDerWaalsContact OD1-CB 3.26Å; D305-A307 WeakPolarHBondContact OD1-CB 3.44Å; D305-A307 PolarHBondContact OD1-N 3.22Å; A307-F309 HydrophobicContact CB-CD2 4.29Å; A307-F309 HydrophobicContact CB-CE2 3.55Å; A307-F309 HydrophobicContact CB-CZ 4.09Å; A307-V328 HydrophobicContact CB-CG1 4.47Å; A307-T330 HydrophobicContact CB-CG2 3.81Å | ||
| 308 | A | 80 | Confident | 77.8 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L37 I300 W302 S329 | L37-A308 HydrophobicContact CD1-CB 4.49Å; I300-A308 HydrophobicContact CD1-CB 4.24Å; I300-A308 HydrophobicContact CG1-CB 4.37Å; W302-A308 HydrophobicContact CB-CB 4.47Å; A308-S329 PolarHBondContact N-O 3.02Å; A308-S329 PolarHBondContact O-N 2.78Å; A308-S329 PolarHBondContact O-OG 3.01Å |
| 309 | F | 84.1 | Confident | 76.5 | Confident | 21 Ų | 21 | 48 Ų | 48 | 9% | 0.092 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.4 | -175.9 | -66.4 | -100.6 | 0 | 0 | 0 | 109.2 | P283 W288 I300 L301 C303 A307 P325 V328 | P283-F309 HydrophobicContact CG-CE1 3.91Å; P283-F309 HydrophobicContact CG-CE2 4.19Å; P283-F309 HydrophobicContact CG-CZ 3.64Å; W288-F309 HydrophobicContact CH2-CB 3.68Å; W288-F309 HydrophobicContact CH2-CD1 4.32Å; W288-F309 AromaticContact CH2-CD2 3.64Å; W288-F309 HydrophobicContact CH2-CD2 3.64Å; W288-F309 HydrophobicContact CH2-CE2 4.35Å; W288-F309 AromaticContact CH2-CG 3.62Å; W288-F309 HydrophobicContact CH2-CG 3.62Å; W288-F309 HydrophobicContact CZ3-CB 3.99Å; W288-F309 AromaticContact CZ3-CD2 3.46Å; W288-F309 HydrophobicContact CZ3-CD2 3.46Å; W288-F309 VanDerWaalsContact CZ3-CD2 3.46Å; W288-F309 HydrophobicContact CZ3-CE2 4.18Å; W288-F309 AromaticContact CZ3-CG 3.9Å; W288-F309 HydrophobicContact CZ3-CG 3.9Å; I300-F309 CarbonylContact C-O 3.51Å; I300-F309 WeakPolarHBondContact CA-O 3.32Å; L301-F309 PolarHBondContact N-O 2.75Å; L301-F309 PolarHBondContact O-N 3.28Å; C303-F309 VanDerWaalsContact SG-CE2 3.51Å; A307-F309 HydrophobicContact CB-CD2 4.29Å; A307-F309 HydrophobicContact CB-CE2 3.55Å; A307-F309 HydrophobicContact CB-CZ 4.09Å; F309-P325 HydrophobicContact CB-CB 4.13Å; F309-P325 HydrophobicContact CD1-CB 3.88Å; F309-P325 HydrophobicContact CD1-CG 3.85Å; F309-V328 HydrophobicContact CD1-CB 4.31Å; F309-V328 HydrophobicContact CD1-CG1 4.03Å; F309-V328 HydrophobicContact CD1-CG2 3.48Å; F309-V328 VanDerWaalsContact CD1-CG2 3.48Å; F309-V328 HydrophobicContact CE1-CB 4.3Å; F309-V328 HydrophobicContact CE1-CG1 3.74Å; F309-V328 HydrophobicContact CE1-CG2 3.55Å; F309-V328 HydrophobicContact CE2-CG1 4.47Å; F309-V328 HydrophobicContact CG-CG2 4.46Å; F309-V328 HydrophobicContact CZ-CG1 3.99Å |
| 310 | L | 82.6 | Confident | 75.1 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.4 | 175.1 | -166.2 | 80.2 | 0 | 0 | 0 | 110.3 | L64 V294 L299 I300 P325 V326 V327 | L64-L310 HydrophobicContact CB-CD2 3.46Å; L64-L310 VanDerWaalsContact CB-CD2 3.46Å; L64-L310 HydrophobicContact CD1-CD2 3.45Å; L64-L310 VanDerWaalsContact CD1-CD2 3.45Å; L64-L310 HydrophobicContact CD2-CD2 3.64Å; L64-L310 HydrophobicContact CG-CD2 3.66Å; V294-L310 HydrophobicContact CG2-CD1 3.94Å; L299-L310 CarbonylContact O-C 3.53Å; L299-L310 WeakPolarHBondContact O-CA 3.38Å; L299-L310 WeakPolarHBondContact O-CD1 3.46Å; I300-L310 HydrophobicContact CB-CD1 3.97Å; I300-L310 HydrophobicContact CG1-CD1 4.41Å; L310-P325 CarbonylContact O-C 3.49Å; L310-P325 WeakPolarHBondContact O-CA 3.37Å; L310-V326 PolarHBondContact O-N 2.8Å; L310-V327 HydrophobicContact CB-CB 4.28Å; L310-V327 PolarHBondContact N-O 2.94Å; L310-V327 PolarHBondContact O-N 3.08Å |
| 311 | H | 83.4 | Confident | 74 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142.2 | -178.7 | -63.1 | -102.6 | 0 | 0 | 0 | 110.5 | C280 W288 K298 L299 V323 | C280-H311 PolarHBondContact SG-CE1 2.94Å; W288-H311 AromaticContact CH2-NE2 3.72Å; W288-H311 AromaticContact CZ2-NE2 3.92Å; K298-H311 CarbonylContact C-O 3.58Å; K298-H311 VanDerWaalsContact CA-O 3.28Å; K298-H311 WeakPolarHBondContact CA-O 3.38Å; L299-H311 HydrophobicContact CB-CB 4.32Å; L299-H311 PolarHBondContact N-O 2.96Å; L299-H311 PolarHBondContact O-N 3.06Å; H311-V323 HydrophobicContact CB-CG1 4.15Å |
| 312 | Q | 83.8 | Confident | 72.9 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 36% | 0.36 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121.9 | 169 | -175.4 | 162.8 | 16.6 | 0 | 0 | 109.5 | D297 K298 V323 V326 | D297-Q312 CarbonylContact O-C 3.55Å; D297-Q312 WeakPolarHBondContact O-CA 3.41Å; D297-Q312 PolarHBondContact OD2-NE2 2.98Å; K298-Q312 HydrophobicContact CG-CB 4.47Å; K298-Q312 HydrophobicContact CG-CG 4.33Å; Q312-V323 VanDerWaalsContact O-CG1 3.24Å; Q312-V323 WeakPolarHBondContact O-CG1 3.46Å; Q312-V326 HydrophobicContact CB-CG2 3.71Å |
| 313 | L | 83.2 | Confident | 72.2 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 12% | 0.12 | 32% | 0.322 | C | S | . | . | trans | -72.3 | 147 | 179.1 | -63.9 | 178 | 0 | 0 | 0 | 110.8 | I268 F293 D297 L299 R315 V323 | I268-L313 HydrophobicContact CG1-CD2 4.36Å; F293-L313 HydrophobicContact CE1-CD1 3.96Å; D297-L313 HydrophobicContact CB-CB 4.48Å; D297-L313 WeakPolarHBondContact O-CB 3.13Å; D297-L313 PolarHBondContact O-N 3.27Å; L299-L313 HydrophobicContact CD1-CD1 4.14Å; L299-L313 HydrophobicContact CD1-CD2 3.67Å; L299-L313 HydrophobicContact CD1-CG 4.13Å; L299-L313 HydrophobicContact CG-CD1 4.1Å; L299-L313 HydrophobicContact CG-CD2 4.3Å; L299-L313 HydrophobicContact CG-CG 4.22Å; L313-R315 PolarHBondContact O-N 2.99Å; L313-V323 HydrophobicContact CD2-CG2 4.42Å | ||
| 314 | P | 75.2 | Confident | 71.8 | Confident | 55 Ų | 55 | 64.8 Ų | 64.8 | 36% | 0.357 | 35% | 0.352 | S | S | . | . | trans | -62 | 136.8 | 177.2 | -15.8 | 28 | 0 | 0 | 0 | 111.2 | S316 A321 V323 | P314-S316 VanDerWaalsContact C-N 3.35Å; P314-A321 HydrophobicContact CG-CB 4.06Å; P314-V323 HydrophobicContact CG-CG2 4.18Å | ||
| 315 | R | 69.5 | Low | 71.7 | Confident | 228 Ų | 228 | 64.7 Ų | 64.7 | 86% | 0.86 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -71.5 | -27.9 | 175.5 | -71.1 | -175.6 | 177.6 | 170.9 | -0.8 | 113.4 | L313 | L313-R315 PolarHBondContact O-N 2.99Š|
| 316 | S | 61.8 | Low | 71.8 | Confident | 78 Ų | 78 | 64.7 Ų | 64.7 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -102.5 | 139.3 | 175.4 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | P314 I318 | P314-S316 VanDerWaalsContact C-N 3.35Å; S316-I318 PolarHBondContact O-N 3.36Å |
| 317 | T | 53.8 | Low | 71.8 | Confident | 120 Ų | 120 | 66 Ų | 66 | 74% | 0.736 | 36% | 0.359 | S | S | * | . | trans | -66.5 | 68.2 | -177.8 | -23.2 | 0 | 0 | 0 | 0 | 111.6 | I319 | T317-I319 VanDerWaalsContact C-N 3.35Å; T317-I319 PolarHBondContact O-N 3.09Å; T317-I319 VanDerWaalsContact O-N 3.14Å | ||
| 318 | I | 55.4 | Low | 71.4 | Confident | 106 Ų | 106 | 69.4 Ų | 69.4 | 54% | 0.544 | 38% | 0.379 | S | S | . | . | trans | -79.1 | 95.4 | 164.2 | -57.6 | 176.3 | 0 | 0 | 0 | 105.8 | S316 F320 A321 | S316-I318 PolarHBondContact O-N 3.36Å; I318-F320 PolarHBondContact O-N 2.83Å; I318-A321 HydrophobicContact CB-CB 4.12Å; I318-A321 HydrophobicContact CG2-CB 4.11Å; I318-A321 WeakPolarHBondContact O-CB 3.2Å; I318-A321 PolarHBondContact O-N 2.83Å | ||
| 319 | I | 57.7 | Low | 71.1 | Confident | 89 Ų | 89 | 70 Ų | 70 | 46% | 0.456 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 128.8 | 170.2 | -49.8 | 178.9 | 0 | 0 | 0 | 106.8 | L276 L277 T317 | L276-I319 WeakPolarHBondContact O-CG2 3.46Å; L277-I319 WeakPolarHBondContact O-CA 3.15Å; T317-I319 VanDerWaalsContact C-N 3.35Å; T317-I319 PolarHBondContact O-N 3.09Å; T317-I319 VanDerWaalsContact O-N 3.14Å |
| 320 | F | 58.3 | Low | 70.7 | Confident | 154 Ų | 154 | 70.8 Ų | 70.8 | 68% | 0.675 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 23.9 | -177.1 | -48.7 | -78.3 | 0 | 0 | 0 | 116.7 | L276 L277 I318 | L276-F320 HydrophobicContact CD2-CD1 4.01Å; L276-F320 HydrophobicContact CD2-CE1 4.05Å; L277-F320 PolarHBondContact O-N 3.28Å; I318-F320 PolarHBondContact O-N 2.83Å |
| 321 | A | 63.6 | Low | 70.3 | Confident | 17 Ų | 17 | 70.8 Ų | 70.8 | 14% | 0.14 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 135.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C278 A279 P314 I318 | C278-A321 HydrophobicContact CB-CB 4.37Å; C278-A321 WeakPolarHBondContact CB-O 3.41Å; A279-A321 PolarHBondContact N-O 3.45Å; A279-A321 VanDerWaalsContact N-O 3.08Å; P314-A321 HydrophobicContact CG-CB 4.06Å; I318-A321 HydrophobicContact CB-CB 4.12Å; I318-A321 HydrophobicContact CG2-CB 4.11Å; I318-A321 WeakPolarHBondContact O-CB 3.2Å; I318-A321 PolarHBondContact O-N 2.83Å |
| 322 | V | 65.5 | Low | 70.1 | Confident | 112 Ų | 112 | 71.5 Ų | 71.5 | 68% | 0.679 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 121.9 | 167.3 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | A279 | A279-V322 WeakPolarHBondContact O-CA 3.47Å |
| 323 | V | 73.4 | Confident | 69.8 | Low | 17 Ų | 17 | 70 Ų | 70 | 10% | 0.103 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -102.1 | 131.3 | -177.1 | -176 | 0 | 0 | 0 | 0 | 110.9 | A279 C280 H311 Q312 L313 P314 | A279-V323 PolarHBondContact O-N 2.98Å; C280-V323 PolarHBondContact SG-O 2.73Å; H311-V323 HydrophobicContact CB-CG1 4.15Å; Q312-V323 VanDerWaalsContact O-CG1 3.24Å; Q312-V323 WeakPolarHBondContact O-CG1 3.46Å; L313-V323 HydrophobicContact CD2-CG2 4.42Å; P314-V323 HydrophobicContact CG-CG2 4.18Å |
| 324 | S | 74.7 | Confident | 69.6 | Low | 89 Ų | 89 | 69.7 Ų | 69.7 | 62% | 0.622 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -96.1 | 152.4 | 172.9 | 48.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 325 | P | 73.9 | Confident | 69.9 | Low | 55 Ų | 55 | 67.6 Ų | 67.6 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 140.8 | 178.5 | 27.9 | -32.7 | 0 | 0 | 0 | 110.9 | F309 L310 | F309-P325 HydrophobicContact CB-CB 4.13Å; F309-P325 HydrophobicContact CD1-CB 3.88Å; F309-P325 HydrophobicContact CD1-CG 3.85Å; L310-P325 CarbonylContact O-C 3.49Å; L310-P325 WeakPolarHBondContact O-CA 3.37Å |
| 326 | V | 76.6 | Confident | 70.3 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 52% | 0.515 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -38.9 | 174.6 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | L310 Q312 | L310-V326 PolarHBondContact O-N 2.8Å; Q312-V326 HydrophobicContact CB-CG2 3.71Å |
| 327 | V | 71.2 | Confident | 71.1 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 22% | 0.218 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141.2 | -178.5 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | L64 L310 | L64-V327 HydrophobicContact CB-CG2 4.25Å; L310-V327 HydrophobicContact CB-CB 4.28Å; L310-V327 PolarHBondContact N-O 2.94Å; L310-V327 PolarHBondContact O-N 3.08Å |
| 328 | V | 71.9 | Confident | 72.2 | Confident | 74 Ų | 74 | 62 Ų | 62 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.2 | 169.2 | -172.3 | 0 | 0 | 0 | 0 | 107.4 | A307 F309 | A307-V328 HydrophobicContact CB-CG1 4.47Å; F309-V328 HydrophobicContact CD1-CB 4.31Å; F309-V328 HydrophobicContact CD1-CG1 4.03Å; F309-V328 HydrophobicContact CD1-CG2 3.48Å; F309-V328 VanDerWaalsContact CD1-CG2 3.48Å; F309-V328 HydrophobicContact CE1-CB 4.3Å; F309-V328 HydrophobicContact CE1-CG1 3.74Å; F309-V328 HydrophobicContact CE1-CG2 3.55Å; F309-V328 HydrophobicContact CE2-CG1 4.47Å; F309-V328 HydrophobicContact CG-CG2 4.46Å; F309-V328 HydrophobicContact CZ-CG1 3.99Å |
| 329 | S | 73.4 | Confident | 72.9 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 14% | 0.14 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.1 | 179 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | A308 | A308-S329 PolarHBondContact N-O 3.02Å; A308-S329 PolarHBondContact O-N 2.78Å; A308-S329 PolarHBondContact O-OG 3.01Å |
| 330 | T | 75 | Confident | 73.6 | Confident | 38 Ų | 38 | 60.3 Ų | 60.3 | 23% | 0.233 | 34% | 0.343 | C | S | . | . | trans | -136.7 | 157.5 | 176.3 | 65.2 | 0 | 0 | 0 | 0 | 110 | A307 A332 S333 Y334 | A307-T330 HydrophobicContact CB-CG2 3.81Å; T330-A332 PolarHBondContact O-N 3.33Å; T330-S333 PolarHBondContact N-OG 3.5Å; T330-S333 VanDerWaalsContact N-OG 3.09Å; T330-S333 PolarHBondContact O-N 3.46Å; T330-S333 PolarHBondContact O-OG 3.33Å; T330-S333 WeakPolarHBondContact OG1-CB 3.34Å; T330-S333 PolarHBondContact OG1-N 3.49Å; T330-S333 PolarHBondContact OG1-OG 3.45Å; T330-Y334 PolarHBondContact O-N 3.49Å | ||
| 331 | L | 75.9 | Confident | 74.6 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.6 | -36.4 | 171.9 | -170.7 | 54.2 | 0 | 0 | 0 | 111.3 | Y29 P30 L32 W58 P68 S333 Y334 W335 F738 | Y29-L331 HydrophobicContact CD2-CB 4.43Å; Y29-L331 HydrophobicContact CD2-CG 4.32Å; P30-L331 HydrophobicContact CB-CD2 4.22Å; P30-L331 WeakPolarHBondContact O-CD2 3.5Å; L32-L331 HydrophobicContact CD1-CD2 3.84Å; L32-L331 HydrophobicContact CG-CD2 4.1Å; W58-L331 HydrophobicContact CH2-CB 3.95Å; W58-L331 HydrophobicContact CH2-CD1 4.17Å; W58-L331 HydrophobicContact CZ3-CD1 4.5Å; P68-L331 HydrophobicContact CB-CD1 4.12Å; P68-L331 HydrophobicContact CG-CD1 3.77Å; L331-S333 PolarHBondContact O-N 2.74Å; L331-Y334 HydrophobicContact CD1-CD1 4.3Å; L331-Y334 PolarHBondContact O-N 3.25Å; L331-W335 PolarHBondContact O-N 3Å; L331-F738 HydrophobicContact CD1-CE1 3.91Å; L331-F738 HydrophobicContact CD1-CZ 3.84Å; L331-F738 HydrophobicContact CD2-CZ 4.25Å |
| 332 | A | 78.6 | Confident | 75.4 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.7 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y29 T330 W335 K336 | Y29-A332 HydrophobicContact CD1-CB 4.26Å; Y29-A332 HydrophobicContact CD2-CB 4.36Å; Y29-A332 HydrophobicContact CE1-CB 3.77Å; Y29-A332 HydrophobicContact CE2-CB 3.88Å; T330-A332 PolarHBondContact O-N 3.33Å; A332-W335 PolarHBondContact O-N 2.89Å; A332-K336 WeakPolarHBondContact O-CG 3.38Å; A332-K336 PolarHBondContact O-N 3.38Å |
| 333 | S | 78.4 | Confident | 76 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 31% | 0.308 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 176.5 | 51 | 0 | 0 | 0 | 0 | 111.7 | T330 L331 K336 E337 | T330-S333 PolarHBondContact N-OG 3.5Å; T330-S333 VanDerWaalsContact N-OG 3.09Å; T330-S333 PolarHBondContact O-N 3.46Å; T330-S333 PolarHBondContact O-OG 3.33Å; T330-S333 WeakPolarHBondContact OG1-CB 3.34Å; T330-S333 PolarHBondContact OG1-N 3.49Å; T330-S333 PolarHBondContact OG1-OG 3.45Å; L331-S333 PolarHBondContact O-N 2.74Å; S333-K336 PolarHBondContact O-N 3.42Å; S333-E337 WeakPolarHBondContact O-CG 3.4Å; S333-E337 PolarHBondContact O-N 2.81Å; S333-E337 VanDerWaalsContact O-N 3.16Å |
| 334 | Y | 77.9 | Confident | 76.4 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 175.4 | 172.1 | -103.6 | 0 | 0 | 0 | 111.9 | Q67 P68 T330 L331 K336 E337 L338 P739 | Q67-Y334 HydrophobicContact CG-CD2 4.4Å; Q67-Y334 HydrophobicContact CG-CE2 3.85Å; P68-Y334 VanDerWaalsContact CD-CG 3.42Å; P68-Y334 HydrophobicContact CG-CD1 3.23Å; P68-Y334 HydrophobicContact CG-CD2 4.15Å; P68-Y334 HydrophobicContact CG-CE1 3.38Å; P68-Y334 HydrophobicContact CG-CE2 4.29Å; P68-Y334 HydrophobicContact CG-CG 3.62Å; T330-Y334 PolarHBondContact O-N 3.49Å; L331-Y334 HydrophobicContact CD1-CD1 4.3Å; L331-Y334 PolarHBondContact O-N 3.25Å; Y334-K336 VanDerWaalsContact C-N 3.25Å; Y334-K336 PolarHBondContact O-N 3.16Å; Y334-E337 PolarHBondContact O-N 2.9Å; Y334-L338 HydrophobicContact CD1-CD1 3.82Å; Y334-L338 HydrophobicContact CD1-CG 4.49Å; Y334-L338 HydrophobicContact CE1-CD1 3.39Å; Y334-L338 HydrophobicContact CE1-CD2 4.45Å; Y334-L338 HydrophobicContact CE1-CG 4.01Å; Y334-L338 HydrophobicContact CE2-CG 4.44Å; Y334-L338 PolarHBondContact O-N 3.36Å; Y334-L338 VanDerWaalsContact O-N 3.12Å; Y334-P739 PolarHBondContact OH-O 2.7Å |
| 335 | W | 80.9 | Confident | 76.8 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 5% | 0.045 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.2 | -35.6 | 177.1 | -141.4 | -105.9 | 0 | 0 | 0 | 113.6 | W25 S26 E27 Y29 L331 A332 L338 P342 F738 | W25-W335 HydrophobicContact CB-CH2 4.02Å; W25-W335 HydrophobicContact CB-CZ2 4.16Å; W25-W335 HydrophobicContact CD2-CH2 4.04Å; W25-W335 AromaticContact CE3-CH2 3.9Å; W25-W335 HydrophobicContact CE3-CH2 3.9Å; W25-W335 HydrophobicContact CG-CH2 4.14Å; S26-W335 WeakPolarHBondContact O-CZ2 3.42Å; E27-W335 PolarHBondContact O-NE1 3.45Å; Y29-W335 VanDerWaalsContact CB-CD2 3.5Å; Y29-W335 HydrophobicContact CD1-CB 4.39Å; Y29-W335 HydrophobicContact CG-CB 4.41Å; Y29-W335 HydrophobicContact CG-CG 4.47Å; L331-W335 PolarHBondContact O-N 3Å; A332-W335 PolarHBondContact O-N 2.89Å; W335-L338 HydrophobicContact CD2-CD1 4.17Å; W335-L338 HydrophobicContact CE3-CD1 3.88Å; W335-L338 HydrophobicContact CZ3-CD1 4.34Å; W335-P342 HydrophobicContact CH2-CG 4.41Å; W335-P342 HydrophobicContact CZ2-CB 4.48Å; W335-P342 HydrophobicContact CZ2-CG 3.91Å; W335-F738 HydrophobicContact CH2-CD1 4.43Å; W335-F738 HydrophobicContact CH2-CE1 4.41Å; W335-F738 AromaticContact CZ3-CD1 3.73Å; W335-F738 HydrophobicContact CZ3-CD1 3.73Å; W335-F738 AromaticContact CZ3-CE1 3.68Å; W335-F738 HydrophobicContact CZ3-CE1 3.68Å |
| 336 | K | 79.1 | Confident | 77.1 | Confident | 177 Ų | 177 | 46.8 Ų | 46.8 | 77% | 0.77 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -74.6 | -27 | 176.7 | -69.9 | 173.4 | -177.5 | 179.8 | 0 | 113.1 | A332 S333 Y334 | A332-K336 WeakPolarHBondContact O-CG 3.38Å; A332-K336 PolarHBondContact O-N 3.38Å; S333-K336 PolarHBondContact O-N 3.42Å; Y334-K336 VanDerWaalsContact C-N 3.25Å; Y334-K336 PolarHBondContact O-N 3.16Å |
| 337 | E | 77.8 | Confident | 76.7 | Confident | 122 Ų | 122 | 43.5 Ų | 43.5 | 57% | 0.57 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -82.3 | -17.1 | 177.3 | -71 | -175.4 | 168 | 0 | 0 | 112.6 | K65 S333 Y334 S339 | K65-E337 IonicContact NZ-OE1 2.82Å; K65-E337 PolarHBondContact NZ-OE1 2.84Å; K65-E337 IonicContact NZ-OE2 3.22Å; S333-E337 WeakPolarHBondContact O-CG 3.4Å; S333-E337 PolarHBondContact O-N 2.81Å; S333-E337 VanDerWaalsContact O-N 3.16Å; Y334-E337 PolarHBondContact O-N 2.9Å; E337-S339 PolarHBondContact O-N 3.24Å |
| 338 | L | 76.2 | Confident | 76.2 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | trans | -63.1 | 129.9 | 179.1 | -89.6 | 156.6 | 0 | 0 | 0 | 112 | Y334 W335 V341 P739 | Y334-L338 HydrophobicContact CD1-CD1 3.82Å; Y334-L338 HydrophobicContact CD1-CG 4.49Å; Y334-L338 HydrophobicContact CE1-CD1 3.39Å; Y334-L338 HydrophobicContact CE1-CD2 4.45Å; Y334-L338 HydrophobicContact CE1-CG 4.01Å; Y334-L338 HydrophobicContact CE2-CG 4.44Å; Y334-L338 PolarHBondContact O-N 3.36Å; Y334-L338 VanDerWaalsContact O-N 3.12Å; W335-L338 HydrophobicContact CD2-CD1 4.17Å; W335-L338 HydrophobicContact CE3-CD1 3.88Å; W335-L338 HydrophobicContact CZ3-CD1 4.34Å; L338-V341 WeakPolarHBondContact O-CG2 3.39Å; L338-P739 HydrophobicContact CD1-CG 4.09Å; L338-P739 HydrophobicContact CD2-CB 4.5Å; L338-P739 HydrophobicContact CD2-CG 4.13Å | ||
| 339 | S | 71.4 | Confident | 75.6 | Confident | 56 Ų | 56 | 41.4 Ų | 41.4 | 39% | 0.392 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -132.4 | 119.8 | 173 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | E337 S742 | E337-S339 PolarHBondContact O-N 3.24Å; S339-S742 VanDerWaalsContact O-CB 3.28Å; S339-S742 WeakPolarHBondContact O-CB 3.09Å; S339-S742 PolarHBondContact O-N 3.38Å; S339-S742 PolarHBondContact OG-OG 3.35Å; S339-S742 VanDerWaalsContact OG-OG 3.09Å |
| 340 | P | 72.9 | Confident | 74.6 | Confident | 105 Ų | 105 | 43.3 Ų | 43.3 | 68% | 0.682 | 25% | 0.246 | S | C | * | . | S | Bend | cis | -68.8 | 156.1 | -11.5 | 32 | -34.4 | 0 | 0 | 0 | 112 | ||
| 341 | V | 77.5 | Confident | 73.4 | Confident | 70 Ų | 70 | 43.1 Ų | 43.1 | 42% | 0.424 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -68.8 | 136.4 | 168.9 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | L338 T343 | L338-V341 WeakPolarHBondContact O-CG2 3.39Å; V341-T343 PolarHBondContact O-N 3.28Å |
| 342 | P | 81.2 | Confident | 72.1 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 13% | 0.13 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -58 | 136.6 | 176.9 | -22.8 | 33.3 | 0 | 0 | 0 | 111.2 | W25 E27 W335 P739 | W25-P342 HydrophobicContact CB-CB 3.85Å; W25-P342 HydrophobicContact CB-CG 4.11Å; E27-P342 WeakPolarHBondContact CA-O 3.34Å; E27-P342 WeakPolarHBondContact CG-O 3.39Å; W335-P342 HydrophobicContact CH2-CG 4.41Å; W335-P342 HydrophobicContact CZ2-CB 4.48Å; W335-P342 HydrophobicContact CZ2-CG 3.91Å; P342-P739 HydrophobicContact CG-CG 3.95Å |
| 343 | T | 77.3 | Confident | 70.6 | Confident | 54 Ų | 54 | 53.9 Ų | 53.9 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | trans | -93.6 | -13.3 | -174.4 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | V341 G347 Q393 | V341-T343 PolarHBondContact O-N 3.28Å; T343-G347 WeakPolarHBondContact O-CA 3.38Å; T343-G347 PolarHBondContact O-N 3.3Å; T343-Q393 PolarHBondContact OG1-NE2 3.35Å | ||
| 344 | G | 82.3 | Confident | 69.1 | Low | 5 Ų | 5 | 55.4 Ų | 55.4 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | trans | 65.1 | 166.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | W25 L346 G347 Q393 | W25-G344 VanDerWaalsContact O-CA 3.26Å; W25-G344 WeakPolarHBondContact O-CA 3.29Å; W25-G344 PolarHBondContact O-N 3.11Å; G344-L346 PolarHBondContact O-N 3.48Å; G344-G347 PolarHBondContact O-N 3.27Å; G344-Q393 PolarHBondContact O-OE1 3.3Å | ||
| 345 | M | 84.1 | Confident | 67.8 | Low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -30.8 | -172.5 | -70 | -163.2 | 75.3 | 0 | 0 | 115.5 | V24 I372 F374 V389 L390 L621 H633 | V24-M345 HydrophobicContact CB-CG 4.15Å; V24-M345 HydrophobicContact CG1-CG 3.67Å; M345-I372 HydrophobicContact CE-CD1 3.55Å; M345-F374 HydrophobicContact CB-CE1 4.03Å; M345-F374 HydrophobicContact CB-CZ 3.97Å; M345-F374 HydrophobicContact CE-CE1 4.47Å; M345-F374 HydrophobicContact CE-CZ 3.98Å; M345-F374 HydrophobicContact SD-CE1 3.89Å; M345-F374 HydrophobicContact SD-CZ 3.99Å; M345-V389 HydrophobicContact CB-CG1 4.16Å; M345-V389 HydrophobicContact CE-CB 4.38Å; M345-V389 HydrophobicContact CE-CG1 3.61Å; M345-V389 VanDerWaalsContact O-CG1 3.3Å; M345-V389 WeakPolarHBondContact O-CG1 3.37Å; M345-L390 HydrophobicContact CE-CD2 3.89Å; M345-L621 HydrophobicContact CE-CD1 3.73Å; M345-L621 HydrophobicContact SD-CD1 3.77Å; M345-H633 HydrophobicContact CG-CB 4.08Å; M345-H633 HydrophobicContact SD-CB 3.56Å; M345-H633 VanDerWaalsContact SD-CB 3.56Å |
| 346 | L | 79.6 | Confident | 66.5 | Low | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.052 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -3.7 | 179.5 | -72.9 | -178 | 0 | 0 | 0 | 114.1 | G344 P348 V349 I360 F374 V382 Y406 | G344-L346 PolarHBondContact O-N 3.48Å; L346-P348 VanDerWaalsContact C-CD 3.48Å; L346-V349 HydrophobicContact CB-CG2 4.43Å; L346-V349 HydrophobicContact CD2-CG2 3.8Å; L346-V349 VanDerWaalsContact O-CB 3.27Å; L346-V349 WeakPolarHBondContact O-CB 3.36Å; L346-V349 WeakPolarHBondContact O-CG2 3.28Å; L346-V349 PolarHBondContact O-N 3.28Å; L346-I360 HydrophobicContact CB-CD1 4.18Å; L346-I360 HydrophobicContact CD1-CD1 3.84Å; L346-I360 HydrophobicContact CD1-CG1 3.9Å; L346-I360 HydrophobicContact CG-CD1 3.88Å; L346-I360 HydrophobicContact CG-CG1 4.48Å; L346-F374 HydrophobicContact CD1-CB 3.82Å; L346-F374 HydrophobicContact CD1-CD1 4.45Å; L346-F374 HydrophobicContact CD1-CD2 3.99Å; L346-F374 HydrophobicContact CD1-CG 3.84Å; L346-F374 HydrophobicContact CD2-CD2 3.65Å; L346-F374 HydrophobicContact CD2-CE2 3.72Å; L346-F374 HydrophobicContact CD2-CG 4.3Å; L346-F374 HydrophobicContact CD2-CZ 4.43Å; L346-F374 HydrophobicContact CG-CD1 4.46Å; L346-F374 HydrophobicContact CG-CD2 3.93Å; L346-F374 HydrophobicContact CG-CE2 4.15Å; L346-F374 HydrophobicContact CG-CG 4.08Å; L346-F374 HydrophobicContact CG-CZ 4.49Å; L346-V382 HydrophobicContact CD1-CB 4.14Å; L346-V382 HydrophobicContact CD1-CG2 4.11Å; L346-V382 HydrophobicContact CD2-CB 4.27Å; L346-V382 HydrophobicContact CD2-CG1 3.8Å; L346-Y406 HydrophobicContact CD2-CD1 4.25Å; L346-Y406 HydrophobicContact CD2-CE1 4.17Å |
| 347 | G | 68.4 | Low | 65.9 | Low | 16 Ų | 16 | 65.9 Ų | 65.9 | 17% | 0.165 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -53 | -45 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T343 G344 V349 Q350 | T343-G347 WeakPolarHBondContact O-CA 3.38Å; T343-G347 PolarHBondContact O-N 3.3Å; G344-G347 PolarHBondContact O-N 3.27Å; G347-V349 PolarHBondContact O-N 3.37Å; G347-V349 VanDerWaalsContact O-N 3.13Å; G347-Q350 PolarHBondContact O-N 3.07Å |
| 348 | P | 59.8 | Low | 66.1 | Low | 37 Ų | 37 | 60.7 Ų | 60.7 | 24% | 0.24 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -66.3 | -12.9 | 178.4 | -20.6 | 31.9 | 0 | 0 | 0 | 115.4 | L346 K392 L396 | L346-P348 VanDerWaalsContact C-CD 3.48Å; P348-K392 HydrophobicContact CB-CB 3.83Å; P348-K392 HydrophobicContact CG-CB 4.16Å; P348-K392 VanDerWaalsContact CG-O 3.3Å; P348-K392 WeakPolarHBondContact CG-O 3.32Å; P348-L396 HydrophobicContact CB-CD2 4.35Å; P348-L396 HydrophobicContact CG-CD2 4.27Å |
| 349 | V | 59.2 | Low | 66.6 | Low | 29 Ų | 29 | 62.6 Ų | 62.6 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -84.6 | -27.7 | -174.9 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | L346 G347 S351 Y406 | L346-V349 HydrophobicContact CB-CG2 4.43Å; L346-V349 HydrophobicContact CD2-CG2 3.8Å; L346-V349 VanDerWaalsContact O-CB 3.27Å; L346-V349 WeakPolarHBondContact O-CB 3.36Å; L346-V349 WeakPolarHBondContact O-CG2 3.28Å; L346-V349 PolarHBondContact O-N 3.28Å; G347-V349 PolarHBondContact O-N 3.37Å; G347-V349 VanDerWaalsContact O-N 3.13Å; V349-S351 PolarHBondContact O-N 3.31Å; V349-Y406 HydrophobicContact CB-CD1 4.48Å; V349-Y406 HydrophobicContact CB-CD2 4.05Å; V349-Y406 HydrophobicContact CB-CE1 4.46Å; V349-Y406 HydrophobicContact CB-CE2 4.04Å; V349-Y406 HydrophobicContact CB-CG 4.31Å; V349-Y406 HydrophobicContact CG1-CD1 3.96Å; V349-Y406 HydrophobicContact CG1-CD2 3.38Å; V349-Y406 HydrophobicContact CG1-CE1 4.41Å; V349-Y406 HydrophobicContact CG1-CE2 3.9Å; V349-Y406 HydrophobicContact CG1-CG 3.45Å; V349-Y406 VanDerWaalsContact CG1-CG 3.45Å; V349-Y406 HydrophobicContact CG2-CD1 3.69Å; V349-Y406 HydrophobicContact CG2-CD2 3.69Å; V349-Y406 HydrophobicContact CG2-CE1 3.28Å; V349-Y406 HydrophobicContact CG2-CE2 3.3Å; V349-Y406 HydrophobicContact CG2-CG 3.91Å; V349-Y406 WeakPolarHBondContact CG2-OH 3.46Å |
| 350 | Q | 54 | Low | 67.6 | Low | 60 Ų | 60 | 61 Ų | 61 | 28% | 0.28 | 36% | 0.355 | S | S | . | . | trans | -71.9 | 97 | -169.6 | -64.1 | 177 | 8.7 | 0 | 0 | 108.4 | G347 | G347-Q350 PolarHBondContact O-N 3.07Š| ||
| 351 | S | 48.6 | Very low | 68.5 | Low | 35 Ų | 35 | 56.7 Ų | 56.7 | 25% | 0.245 | 33% | 0.326 | C | S | . | . | trans | -52.4 | 142.1 | 170.2 | 67.6 | 0 | 0 | 0 | 0 | 108.2 | V349 T353 V354 | V349-S351 PolarHBondContact O-N 3.31Å; S351-T353 PolarHBondContact O-N 3.46Å; S351-T353 PolarHBondContact OG-OG1 3.36Å; S351-V354 PolarHBondContact O-N 2.94Å; S351-V354 WeakPolarHBondContact OG-CG2 3.41Å; S351-V354 PolarHBondContact OG-N 3.36Å | ||
| 352 | P | 48.4 | Very low | 69.3 | Low | 141 Ų | 141 | 53.7 Ų | 53.7 | 92% | 0.916 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -11.2 | 177.9 | 21.6 | -31.7 | 0 | 0 | 0 | 113.6 | ||
| 353 | T | 46.9 | Very low | 69.9 | Low | 114 Ų | 114 | 53.6 Ų | 53.6 | 70% | 0.699 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -16.5 | 177.7 | 48.7 | 0 | 0 | 0 | 0 | 115.4 | S351 V355 | S351-T353 PolarHBondContact O-N 3.46Å; S351-T353 PolarHBondContact OG-OG1 3.36Å; T353-V355 PolarHBondContact O-N 3.13Å |
| 354 | V | 48.5 | Very low | 70.7 | Confident | 75 Ų | 75 | 52.2 Ų | 52.2 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | trans | -78.3 | 112.2 | 175.8 | 174 | 0 | 0 | 0 | 0 | 107.8 | S351 E356 | S351-V354 PolarHBondContact O-N 2.94Å; S351-V354 WeakPolarHBondContact OG-CG2 3.41Å; S351-V354 PolarHBondContact OG-N 3.36Å; V354-E356 VanDerWaalsContact C-N 3.34Å; V354-E356 PolarHBondContact O-N 2.91Å | ||
| 355 | V | 50 | Low | 71.2 | Confident | 139 Ų | 139 | 52.6 Ų | 52.6 | 84% | 0.842 | 30% | 0.299 | S | S | * | . | trans | -71.3 | -24.7 | -165.2 | 179.8 | 0 | 0 | 0 | 0 | 113.2 | T353 | T353-V355 PolarHBondContact O-N 3.13Š| ||
| 356 | E | 53.9 | Low | 71.6 | Confident | 157 Ų | 157 | 52.7 Ų | 52.7 | 73% | 0.734 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -127.8 | 119.4 | -177.5 | -69.2 | -175.9 | 170.3 | 0 | 0 | 111.7 | V354 S358 | V354-E356 VanDerWaalsContact C-N 3.34Å; V354-E356 PolarHBondContact O-N 2.91Å; E356-S358 PolarHBondContact O-N 3.48Å |
| 357 | K | 66.6 | Low | 71.8 | Confident | 131 Ų | 131 | 56.5 Ų | 56.5 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | trans | -69.1 | 125.7 | 169.1 | -64.2 | -164.1 | 168.3 | -169 | 0 | 108.9 | E27 | E27-K357 VanDerWaalsContact CD-NZ 3.32Å; E27-K357 IonicContact OE1-NZ 3.77Å; E27-K357 PolarHBondContact OE1-NZ 3.1Å; E27-K357 IonicContact OE2-NZ 2.83Å; E27-K357 PolarHBondContact OE2-NZ 3.23Å | ||
| 358 | S | 81.4 | Confident | 72.3 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | trans | -112.8 | 140.9 | 178.6 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | E356 R376 | E356-S358 PolarHBondContact O-N 3.48Å; S358-R376 VanDerWaalsContact OG-CD 3.23Å; S358-R376 WeakPolarHBondContact OG-CD 3.21Å; S358-R376 PolarHBondContact OG-NE 3.12Å; S358-R376 PolarHBondContact OG-NH1 3.06Å | ||
| 359 | N | 87.4 | Confident | 73.4 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | trans | -77.2 | 148.9 | -179.6 | -69.6 | -7.5 | 0 | 0 | 0 | 111.6 | H28 R376 S377 V629 | H28-N359 PolarHBondContact CE1-ND2 2.97Å; H28-N359 PolarHBondContact CE1-OD1 2.97Å; H28-N359 PolarHBondContact NE2-ND2 2.84Å; H28-N359 PolarHBondContact NE2-OD1 2.76Å; N359-R376 CarbonylContact O-C 3.54Å; N359-R376 WeakPolarHBondContact O-CA 3.19Å; N359-S377 PolarHBondContact N-OG 3.29Å; N359-S377 PolarHBondContact O-N 3.28Å; N359-V629 HydrophobicContact CB-CG1 4.06Å; N359-V629 HydrophobicContact CB-CG2 4.48Å | ||
| 360 | I | 91.8 | Very high | 74.7 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 11% | 0.108 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 123.9 | 170.9 | -57.9 | 171.4 | 0 | 0 | 0 | 107.4 | L346 C362 T363 F374 G375 V630 | L346-I360 HydrophobicContact CB-CD1 4.18Å; L346-I360 HydrophobicContact CD1-CD1 3.84Å; L346-I360 HydrophobicContact CD1-CG1 3.9Å; L346-I360 HydrophobicContact CG-CD1 3.88Å; L346-I360 HydrophobicContact CG-CG1 4.48Å; I360-C362 WeakPolarHBondContact CG2-O 3.38Å; I360-T363 WeakPolarHBondContact CG2-OG1 3.3Å; I360-F374 HydrophobicContact CD1-CD1 3.83Å; I360-F374 HydrophobicContact CD1-CE1 4.22Å; I360-F374 HydrophobicContact CD1-CG 4.47Å; I360-F374 HydrophobicContact CG1-CD1 4.47Å; I360-F374 HydrophobicContact CG2-CB 4.3Å; I360-F374 HydrophobicContact CG2-CD1 3.99Å; I360-G375 CarbonylContact C-O 3.55Å; I360-G375 WeakPolarHBondContact CA-O 3.14Å; I360-V630 HydrophobicContact CB-CB 4.31Å; I360-V630 HydrophobicContact CB-CG2 4.41Å; I360-V630 HydrophobicContact CG2-CB 4.08Å; I360-V630 HydrophobicContact CG2-CG2 3.75Å; I360-V630 PolarHBondContact O-N 3.03Å |
| 361 | T | 92.5 | Very high | 76.5 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 9% | 0.092 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -34.1 | -176.6 | 43.7 | 0 | 0 | 0 | 0 | 111.9 | G375 A415 V416 G628 | T361-G375 PolarHBondContact N-O 3.34Å; T361-G375 PolarHBondContact OG1-O 3.36Å; T361-A415 HydrophobicContact CG2-CB 4.28Å; T361-V416 VanDerWaalsContact CB-O 3.31Å; T361-V416 WeakPolarHBondContact CB-O 3.27Å; T361-V416 PolarHBondContact OG1-O 2.8Å; T361-G628 WeakPolarHBondContact CA-O 3.28Å |
| 362 | C | 93.1 | Very high | 78.6 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 5% | 0.054 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 161.3 | 171 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | I360 G375 V416 T417 | I360-C362 WeakPolarHBondContact CG2-O 3.38Å; C362-G375 PolarHBondContact O-N 3Å; C362-V416 PolarHBondContact SG-O 3.27Å; C362-T417 WeakPolarHBondContact CB-O 3.39Å |
| 363 | T | 94.4 | Very high | 80.8 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 10% | 0.104 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 137.5 | 177.8 | -57.8 | 0 | 0 | 0 | 0 | 109.6 | I360 I372 A373 F374 L621 H633 | I360-T363 WeakPolarHBondContact CG2-OG1 3.3Å; T363-I372 HydrophobicContact CG2-CG2 3.59Å; T363-A373 CarbonylContact C-O 3.5Å; T363-A373 WeakPolarHBondContact CA-O 3.47Å; T363-F374 HydrophobicContact CG2-CD1 3.75Å; T363-F374 HydrophobicContact CG2-CE1 3.72Å; T363-L621 HydrophobicContact CG2-CD2 3.87Å; T363-H633 PolarHBondContact OG1-NE2 3.32Å |
| 364 | L | 94.1 | Very high | 83 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.1 | 177 | 179.1 | 70.5 | 0 | 0 | 0 | 109.9 | M366 A373 L419 L434 | L364-M366 HydrophobicContact CD2-CG 4.41Å; L364-A373 HydrophobicContact CB-CB 4.49Å; L364-A373 PolarHBondContact N-O 3.38Å; L364-A373 PolarHBondContact O-N 3.27Å; L364-L419 HydrophobicContact CB-CB 3.74Å; L364-L419 HydrophobicContact CB-CD1 4.07Å; L364-L419 HydrophobicContact CD2-CB 3.98Å; L364-L419 HydrophobicContact CG-CB 4.44Å; L364-L434 HydrophobicContact CD2-CD1 3.84Å |
| 365 | F | 92.8 | Very high | 85.2 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 6% | 0.057 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 112.8 | 172.5 | -179.4 | -123 | 0 | 0 | 0 | 110.6 | R367 M370 K371 I372 A386 Q424 L619 L621 | F365-R367 HydrophobicContact CD1-CB 4.48Å; F365-R367 HydrophobicContact CD1-CG 3.62Å; F365-R367 HydrophobicContact CE1-CB 4.17Å; F365-R367 HydrophobicContact CE1-CG 3.66Å; F365-R367 PolarHBondContact O-N 3.14Å; F365-M370 HydrophobicContact CE2-SD 4.44Å; F365-M370 HydrophobicContact CZ-SD 3.76Å; F365-K371 WeakPolarHBondContact CD2-O 3.28Å; F365-I372 HydrophobicContact CD2-CG1 3.87Å; F365-I372 HydrophobicContact CE2-CG1 4.44Å; F365-A386 HydrophobicContact CD2-CB 4.45Å; F365-A386 HydrophobicContact CE2-CB 3.75Å; F365-Q424 PolarHBondContact O-NE2 3.14Å; F365-Q424 PolarHBondContact O-OE1 3.16Å; F365-L619 WeakPolarHBondContact CE1-O 3.43Å; F365-L619 HydrophobicContact CZ-CD2 4.36Å; F365-L619 HydrophobicContact CZ-CG 4.49Å; F365-L621 HydrophobicContact CB-CB 4.16Å; F365-L621 HydrophobicContact CG-CB 4.23Å |
| 366 | M | 91.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 85.9 | 176.5 | -64 | 177.2 | -83.5 | 0 | 0 | 109.2 | L364 S368 A369 M370 K371 A373 I383 Y421 L434 L448 | L364-M366 HydrophobicContact CD2-CG 4.41Å; M366-S368 PolarHBondContact O-N 2.71Å; M366-A369 HydrophobicContact CB-CB 4.41Å; M366-A369 CarbonylContact O-C 3.53Å; M366-A369 PolarHBondContact O-N 3.48Å; M366-A369 VanDerWaalsContact O-N 3.16Å; M366-M370 PolarHBondContact O-N 3Å; M366-K371 HydrophobicContact CE-CB 3.72Å; M366-K371 PolarHBondContact N-O 3.24Å; M366-K371 PolarHBondContact O-N 3.21Å; M366-A373 HydrophobicContact CE-CB 4Å; M366-I383 HydrophobicContact CE-CG2 4Å; M366-Y421 HydrophobicContact CB-CD1 3.91Å; M366-Y421 HydrophobicContact CB-CE1 4.22Å; M366-Y421 HydrophobicContact CB-CG 4.48Å; M366-Y421 HydrophobicContact CG-CD1 3.65Å; M366-Y421 HydrophobicContact CG-CD2 4.42Å; M366-Y421 HydrophobicContact CG-CE1 4.31Å; M366-Y421 HydrophobicContact CG-CG 3.74Å; M366-Y421 HydrophobicContact SD-CD1 4.26Å; M366-Y421 HydrophobicContact SD-CD2 4.07Å; M366-Y421 HydrophobicContact SD-CE2 4.46Å; M366-Y421 HydrophobicContact SD-CG 3.99Å; M366-L434 HydrophobicContact SD-CD1 4.49Å; M366-L448 HydrophobicContact SD-CD1 4Å |
| 367 | R | 85 | Confident | 89.1 | Confident | 91 Ų | 91 | 32.3 Ų | 32.3 | 34% | 0.343 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -54.4 | -47 | -171.4 | -60.9 | 174.1 | -165.4 | 123 | 3.4 | 112.8 | F365 A369 M370 P617 | F365-R367 HydrophobicContact CD1-CB 4.48Å; F365-R367 HydrophobicContact CD1-CG 3.62Å; F365-R367 HydrophobicContact CE1-CB 4.17Å; F365-R367 HydrophobicContact CE1-CG 3.66Å; F365-R367 PolarHBondContact O-N 3.14Å; R367-A369 VanDerWaalsContact C-N 3.26Å; R367-A369 PolarHBondContact O-N 2.97Å; R367-M370 PolarHBondContact O-N 3.14Å; R367-P617 HydrophobicContact CG-CG 4.39Å |
| 368 | S | 77.6 | Confident | 90.3 | Very high | 65 Ų | 65 | 29.6 Ų | 29.6 | 46% | 0.455 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -66.7 | -27.6 | -176.7 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | M366 | M366-S368 PolarHBondContact O-N 2.71Š|
| 369 | A | 83.3 | Confident | 90.8 | Very high | 43 Ų | 43 | 29.1 Ų | 29.1 | 36% | 0.355 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -99.5 | -5.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | M366 R367 K371 | M366-A369 HydrophobicContact CB-CB 4.41Å; M366-A369 CarbonylContact O-C 3.53Å; M366-A369 PolarHBondContact O-N 3.48Å; M366-A369 VanDerWaalsContact O-N 3.16Å; R367-A369 VanDerWaalsContact C-N 3.26Å; R367-A369 PolarHBondContact O-N 2.97Å; A369-K371 HydrophobicContact CB-CB 4.48Å; A369-K371 HydrophobicContact CB-CD 4.33Å; A369-K371 HydrophobicContact CB-CG 4.41Å; A369-K371 PolarHBondContact O-N 3.23Å |
| 370 | M | 87.3 | Confident | 91.1 | Very high | 21 Ų | 21 | 26.9 Ų | 26.9 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 39.6 | -172.9 | -69.8 | -73.2 | 175.5 | 0 | 0 | 113.4 | F365 M366 R367 A386 P617 P618 L619 I685 I689 | F365-M370 HydrophobicContact CE2-SD 4.44Å; F365-M370 HydrophobicContact CZ-SD 3.76Å; M366-M370 PolarHBondContact O-N 3Å; R367-M370 PolarHBondContact O-N 3.14Å; M370-A386 WeakPolarHBondContact O-CB 3.15Å; M370-A386 PolarHBondContact O-N 3.26Å; M370-P617 HydrophobicContact CE-CB 4.09Å; M370-P618 HydrophobicContact CE-CG 3.91Å; M370-L619 HydrophobicContact SD-CB 4.41Å; M370-I685 HydrophobicContact CB-CD1 4.21Å; M370-I685 HydrophobicContact CB-CG2 4.12Å; M370-I685 HydrophobicContact CG-CD1 4.46Å; M370-I685 HydrophobicContact CG-CG2 3.94Å; M370-I689 HydrophobicContact SD-CD1 4.46Å |
| 371 | K | 91.2 | Very high | 91.2 | Very high | 90 Ų | 90 | 25.9 Ų | 25.9 | 39% | 0.391 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 151.1 | -179.6 | -74 | 176 | -175 | 176 | 0 | 111.4 | F365 M366 A369 I383 A384 | F365-K371 WeakPolarHBondContact CD2-O 3.28Å; M366-K371 HydrophobicContact CE-CB 3.72Å; M366-K371 PolarHBondContact N-O 3.24Å; M366-K371 PolarHBondContact O-N 3.21Å; A369-K371 HydrophobicContact CB-CB 4.48Å; A369-K371 HydrophobicContact CB-CD 4.33Å; A369-K371 HydrophobicContact CB-CG 4.41Å; A369-K371 PolarHBondContact O-N 3.23Å; K371-I383 HydrophobicContact CD-CG2 4.44Å; K371-A384 CarbonylContact C-O 3.51Å; K371-A384 VanDerWaalsContact CA-O 3.25Å; K371-A384 WeakPolarHBondContact CA-O 3.43Å; K371-A384 WeakPolarHBondContact CB-O 3.47Å |
| 372 | I | 93.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 133.2 | 173.8 | -51 | 167.3 | 0 | 0 | 0 | 108 | M345 T363 F365 F374 I383 A384 A386 V389 L621 | M345-I372 HydrophobicContact CE-CD1 3.55Å; T363-I372 HydrophobicContact CG2-CG2 3.59Å; F365-I372 HydrophobicContact CD2-CG1 3.87Å; F365-I372 HydrophobicContact CE2-CG1 4.44Å; I372-F374 HydrophobicContact CB-CE2 3.93Å; I372-F374 HydrophobicContact CB-CZ 3.99Å; I372-F374 HydrophobicContact CD1-CZ 4.29Å; I372-F374 HydrophobicContact CG2-CD1 4.2Å; I372-F374 HydrophobicContact CG2-CD2 4.12Å; I372-F374 HydrophobicContact CG2-CE1 3.66Å; I372-F374 HydrophobicContact CG2-CE2 3.57Å; I372-F374 HydrophobicContact CG2-CG 4.42Å; I372-F374 HydrophobicContact CG2-CZ 3.32Å; I372-I383 WeakPolarHBondContact O-CA 3.34Å; I372-A384 PolarHBondContact N-O 3.44Å; I372-A384 PolarHBondContact O-N 2.96Å; I372-A386 HydrophobicContact CD1-CB 3.77Å; I372-A386 HydrophobicContact CG1-CB 3.75Å; I372-V389 HydrophobicContact CD1-CB 4.35Å; I372-V389 HydrophobicContact CD1-CG2 4.44Å; I372-L621 HydrophobicContact CD1-CD1 3.77Å; I372-L621 HydrophobicContact CG1-CD1 4.4Å |
| 373 | A | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.3 | 167 | 0 | 0 | 0 | 0 | 0 | 109.4 | T363 L364 M366 V382 I383 L419 L434 | T363-A373 CarbonylContact C-O 3.5Å; T363-A373 WeakPolarHBondContact CA-O 3.47Å; L364-A373 HydrophobicContact CB-CB 4.49Å; L364-A373 PolarHBondContact N-O 3.38Å; L364-A373 PolarHBondContact O-N 3.27Å; M366-A373 HydrophobicContact CE-CB 4Å; A373-V382 CarbonylContact C-O 3.57Å; A373-V382 WeakPolarHBondContact CA-O 3.45Å; A373-I383 HydrophobicContact CB-CG1 4.1Å; A373-L419 HydrophobicContact CB-CD1 4.02Å; A373-L434 HydrophobicContact CB-CD2 4.42Å |
| 374 | F | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.6 | 177 | -58 | -82.6 | 0 | 0 | 0 | 109.2 | M345 L346 I360 T363 I372 L381 V382 V389 H633 | M345-F374 HydrophobicContact CB-CE1 4.03Å; M345-F374 HydrophobicContact CB-CZ 3.97Å; M345-F374 HydrophobicContact CE-CE1 4.47Å; M345-F374 HydrophobicContact CE-CZ 3.98Å; M345-F374 HydrophobicContact SD-CE1 3.89Å; M345-F374 HydrophobicContact SD-CZ 3.99Å; L346-F374 HydrophobicContact CD1-CB 3.82Å; L346-F374 HydrophobicContact CD1-CD1 4.45Å; L346-F374 HydrophobicContact CD1-CD2 3.99Å; L346-F374 HydrophobicContact CD1-CG 3.84Å; L346-F374 HydrophobicContact CD2-CD2 3.65Å; L346-F374 HydrophobicContact CD2-CE2 3.72Å; L346-F374 HydrophobicContact CD2-CG 4.3Å; L346-F374 HydrophobicContact CD2-CZ 4.43Å; L346-F374 HydrophobicContact CG-CD1 4.46Å; L346-F374 HydrophobicContact CG-CD2 3.93Å; L346-F374 HydrophobicContact CG-CE2 4.15Å; L346-F374 HydrophobicContact CG-CG 4.08Å; L346-F374 HydrophobicContact CG-CZ 4.49Å; I360-F374 HydrophobicContact CD1-CD1 3.83Å; I360-F374 HydrophobicContact CD1-CE1 4.22Å; I360-F374 HydrophobicContact CD1-CG 4.47Å; I360-F374 HydrophobicContact CG1-CD1 4.47Å; I360-F374 HydrophobicContact CG2-CB 4.3Å; I360-F374 HydrophobicContact CG2-CD1 3.99Å; T363-F374 HydrophobicContact CG2-CD1 3.75Å; T363-F374 HydrophobicContact CG2-CE1 3.72Å; I372-F374 HydrophobicContact CB-CE2 3.93Å; I372-F374 HydrophobicContact CB-CZ 3.99Å; I372-F374 HydrophobicContact CD1-CZ 4.29Å; I372-F374 HydrophobicContact CG2-CD1 4.2Å; I372-F374 HydrophobicContact CG2-CD2 4.12Å; I372-F374 HydrophobicContact CG2-CE1 3.66Å; I372-F374 HydrophobicContact CG2-CE2 3.57Å; I372-F374 HydrophobicContact CG2-CG 4.42Å; I372-F374 HydrophobicContact CG2-CZ 3.32Å; F374-L381 CarbonylContact O-C 3.25Å; F374-L381 VanDerWaalsContact O-CA 3.27Å; F374-L381 WeakPolarHBondContact O-CA 3.38Å; F374-V382 HydrophobicContact CB-CB 4.35Å; F374-V382 HydrophobicContact CD2-CB 4.33Å; F374-V382 PolarHBondContact N-O 3.04Å; F374-V382 PolarHBondContact O-N 3.47Å; F374-V389 HydrophobicContact CE2-CG2 4.47Å; F374-V389 HydrophobicContact CZ-CG1 4.27Å; F374-H633 AromaticContact CE1-NE2 3.95Å |
| 375 | G | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 136.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | I360 T361 C362 | I360-G375 CarbonylContact C-O 3.55Å; I360-G375 WeakPolarHBondContact CA-O 3.14Å; T361-G375 PolarHBondContact N-O 3.34Å; T361-G375 PolarHBondContact OG1-O 3.36Å; C362-G375 PolarHBondContact O-N 3Å |
| 376 | R | 93.3 | Very high | 90.5 | Very high | 22 Ų | 22 | 24.4 Ų | 24.4 | 8% | 0.083 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 158.4 | -178.2 | -58.6 | -166.9 | -56.4 | 151.3 | -1.6 | 111.8 | S358 N359 D378 G379 S380 V382 V416 | S358-R376 VanDerWaalsContact OG-CD 3.23Å; S358-R376 WeakPolarHBondContact OG-CD 3.21Å; S358-R376 PolarHBondContact OG-NE 3.12Å; S358-R376 PolarHBondContact OG-NH1 3.06Å; N359-R376 CarbonylContact O-C 3.54Å; N359-R376 WeakPolarHBondContact O-CA 3.19Å; R376-D378 WeakPolarHBondContact CB-OD1 3.29Å; R376-D378 IonicContact CZ-OD1 3.92Å; R376-D378 IonicContact CZ-OD2 2.87Å; R376-D378 VanDerWaalsContact CZ-OD2 3.23Å; R376-D378 IonicContact NE-OD1 3.54Å; R376-D378 IonicContact NE-OD2 3.27Å; R376-D378 IonicContact NH1-OD2 2.69Å; R376-D378 IonicContact NH2-OD1 3.9Å; R376-D378 IonicContact NH2-OD2 2.84Å; R376-D378 PolarHBondContact NH2-OD2 3.16Å; R376-D378 PolarHBondContact O-N 3.09Å; R376-G379 PolarHBondContact O-N 3.35Å; R376-G379 VanDerWaalsContact O-N 3.15Å; R376-S380 PolarHBondContact N-O 2.93Å; R376-S380 PolarHBondContact NE-OG 3.47Å; R376-S380 PolarHBondContact NH2-OG 3Å; R376-V382 HydrophobicContact CG-CG2 4.46Å; R376-V416 PolarHBondContact O-N 2.87Å |
| 377 | S | 91.9 | Very high | 90.3 | Very high | 53 Ų | 53 | 24.4 Ų | 24.4 | 37% | 0.371 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -18.9 | 178 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | N359 G379 | N359-S377 PolarHBondContact N-OG 3.29Å; N359-S377 PolarHBondContact O-N 3.28Å; S377-G379 VanDerWaalsContact C-N 3.27Å |
| 378 | D | 91.3 | Very high | 90.2 | Very high | 74 Ų | 74 | 22.1 Ų | 22.1 | 40% | 0.396 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 4.1 | 175.4 | 71 | -8.1 | 0 | 0 | 0 | 113.3 | R376 S380 | R376-D378 WeakPolarHBondContact CB-OD1 3.29Å; R376-D378 IonicContact CZ-OD1 3.92Å; R376-D378 IonicContact CZ-OD2 2.87Å; R376-D378 VanDerWaalsContact CZ-OD2 3.23Å; R376-D378 IonicContact NE-OD1 3.54Å; R376-D378 IonicContact NE-OD2 3.27Å; R376-D378 IonicContact NH1-OD2 2.69Å; R376-D378 IonicContact NH2-OD1 3.9Å; R376-D378 IonicContact NH2-OD2 2.84Å; R376-D378 PolarHBondContact NH2-OD2 3.16Å; R376-D378 PolarHBondContact O-N 3.09Å; D378-S380 VanDerWaalsContact C-N 3.31Å; D378-S380 VanDerWaalsContact CG-OG 3.28Å; D378-S380 PolarHBondContact O-N 3.09Å; D378-S380 WeakPolarHBondContact OD1-CB 3.45Å; D378-S380 PolarHBondContact OD1-N 3.45Å; D378-S380 PolarHBondContact OD1-OG 3.42Å; D378-S380 PolarHBondContact OD2-OG 3.45Å |
| 379 | G | 92.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 19 Ų | 19 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 80.6 | 4.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R376 S377 H412 G414 | R376-G379 PolarHBondContact O-N 3.35Å; R376-G379 VanDerWaalsContact O-N 3.15Å; S377-G379 VanDerWaalsContact C-N 3.27Å; G379-H412 WeakPolarHBondContact O-CB 3.44Å; G379-H412 PolarHBondContact O-N 3.05Å; G379-G414 WeakPolarHBondContact CA-O 3.37Å |
| 380 | S | 92.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.014 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 160.1 | 175.1 | 70.3 | 0 | 0 | 0 | 0 | 112.9 | R376 D378 L409 | R376-S380 PolarHBondContact N-O 2.93Å; R376-S380 PolarHBondContact NE-OG 3.47Å; R376-S380 PolarHBondContact NH2-OG 3Å; D378-S380 VanDerWaalsContact C-N 3.31Å; D378-S380 VanDerWaalsContact CG-OG 3.28Å; D378-S380 PolarHBondContact O-N 3.09Å; D378-S380 WeakPolarHBondContact OD1-CB 3.45Å; D378-S380 PolarHBondContact OD1-N 3.45Å; D378-S380 PolarHBondContact OD1-OG 3.42Å; D378-S380 PolarHBondContact OD2-OG 3.45Å; S380-L409 CarbonylContact C-O 3.58Å; S380-L409 VanDerWaalsContact CA-O 3.26Å; S380-L409 WeakPolarHBondContact CA-O 3.15Å; S380-L409 VanDerWaalsContact CB-O 3.31Å; S380-L409 WeakPolarHBondContact CB-O 3.37Å |
| 381 | L | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 140.4 | 173.4 | -56.3 | 174.4 | 0 | 0 | 0 | 110.3 | F374 I408 L409 V416 L419 L434 W446 | F374-L381 CarbonylContact O-C 3.25Å; F374-L381 VanDerWaalsContact O-CA 3.27Å; F374-L381 WeakPolarHBondContact O-CA 3.38Å; L381-I408 CarbonylContact O-C 3.49Å; L381-I408 VanDerWaalsContact O-CA 3.28Å; L381-I408 WeakPolarHBondContact O-CA 3.46Å; L381-L409 HydrophobicContact CB-CB 4.04Å; L381-L409 HydrophobicContact CB-CD1 4.27Å; L381-L409 HydrophobicContact CB-CG 4.31Å; L381-L409 HydrophobicContact CD1-CD1 4.12Å; L381-L409 PolarHBondContact N-O 3.3Å; L381-L409 PolarHBondContact O-N 2.96Å; L381-V416 HydrophobicContact CD2-CB 4.13Å; L381-V416 HydrophobicContact CD2-CG1 3.62Å; L381-V416 HydrophobicContact CD2-CG2 3.78Å; L381-L419 HydrophobicContact CD1-CD2 4.35Å; L381-L419 HydrophobicContact CD2-CD2 3.71Å; L381-L434 HydrophobicContact CD1-CD2 4.48Å; L381-W446 HydrophobicContact CD1-CD2 4.2Å; L381-W446 HydrophobicContact CD1-CZ2 3.69Å; L381-W446 HydrophobicContact CG-CZ2 4.44Å |
| 382 | V | 91.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 2% | 0.018 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.2 | 172.2 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | L346 A373 F374 R376 Y406 R407 I408 | L346-V382 HydrophobicContact CD1-CB 4.14Å; L346-V382 HydrophobicContact CD1-CG2 4.11Å; L346-V382 HydrophobicContact CD2-CB 4.27Å; L346-V382 HydrophobicContact CD2-CG1 3.8Å; A373-V382 CarbonylContact C-O 3.57Å; A373-V382 WeakPolarHBondContact CA-O 3.45Å; F374-V382 HydrophobicContact CB-CB 4.35Å; F374-V382 HydrophobicContact CD2-CB 4.33Å; F374-V382 PolarHBondContact N-O 3.04Å; F374-V382 PolarHBondContact O-N 3.47Å; R376-V382 HydrophobicContact CG-CG2 4.46Å; V382-Y406 HydrophobicContact CG1-CD1 3.85Å; V382-Y406 HydrophobicContact CG1-CG 4.32Å; V382-R407 CarbonylContact C-O 3.59Å; V382-R407 WeakPolarHBondContact CA-O 3.25Å; V382-I408 HydrophobicContact CG2-CG1 4.32Å |
| 383 | I | 92.5 | Very high | 89.9 | Confident | 12 Ų | 12 | 16.6 Ų | 16.6 | 6% | 0.062 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.3 | -179.9 | -54.1 | -177.7 | 0 | 0 | 0 | 110 | M366 K371 I372 A373 R407 L409 L434 L448 | M366-I383 HydrophobicContact CE-CG2 4Å; K371-I383 HydrophobicContact CD-CG2 4.44Å; I372-I383 WeakPolarHBondContact O-CA 3.34Å; A373-I383 HydrophobicContact CB-CG1 4.1Å; I383-R407 PolarHBondContact N-O 3.01Å; I383-R407 PolarHBondContact O-N 3.4Å; I383-L409 HydrophobicContact CD1-CD1 3.69Å; I383-L409 HydrophobicContact CD1-CG 4.45Å; I383-L409 HydrophobicContact CG1-CD1 4.45Å; I383-L434 HydrophobicContact CD1-CD2 3.8Å; I383-L448 HydrophobicContact CD1-CD2 3.47Å; I383-L448 VanDerWaalsContact CD1-CD2 3.47Å |
| 384 | A | 89.3 | Confident | 89.4 | Confident | 4 Ų | 4 | 17.7 Ų | 17.7 | 3% | 0.033 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 166.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K371 I372 V389 Y406 | K371-A384 CarbonylContact C-O 3.51Å; K371-A384 VanDerWaalsContact CA-O 3.25Å; K371-A384 WeakPolarHBondContact CA-O 3.43Å; K371-A384 WeakPolarHBondContact CB-O 3.47Å; I372-A384 PolarHBondContact N-O 3.44Å; I372-A384 PolarHBondContact O-N 2.96Å; A384-V389 HydrophobicContact CB-CG2 3.6Å; A384-Y406 HydrophobicContact CB-CD1 3.29Å; A384-Y406 HydrophobicContact CB-CE1 3.55Å; A384-Y406 HydrophobicContact CB-CG 4.07Å |
| 385 | S | 88.3 | Confident | 88.8 | Confident | 28 Ų | 28 | 18 Ų | 18 | 20% | 0.196 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 134.2 | 168.8 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | T387 I388 V389 | S385-T387 VanDerWaalsContact C-N 3.34Å; S385-T387 PolarHBondContact O-N 3.18Å; S385-T387 PolarHBondContact OG-OG1 2.97Å; S385-T387 VanDerWaalsContact OG-OG1 3.05Å; S385-I388 PolarHBondContact O-N 3.21Å; S385-V389 WeakPolarHBondContact O-CG2 3.37Å; S385-V389 PolarHBondContact O-N 3.03Å |
| 386 | A | 90 | Very high | 87.5 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F365 M370 I372 I388 V389 L390 L619 | F365-A386 HydrophobicContact CD2-CB 4.45Å; F365-A386 HydrophobicContact CE2-CB 3.75Å; M370-A386 WeakPolarHBondContact O-CB 3.15Å; M370-A386 PolarHBondContact O-N 3.26Å; I372-A386 HydrophobicContact CD1-CB 3.77Å; I372-A386 HydrophobicContact CG1-CB 3.75Å; A386-I388 VanDerWaalsContact C-N 3.3Å; A386-I388 PolarHBondContact O-N 3.46Å; A386-V389 PolarHBondContact O-N 3.32Å; A386-L390 VanDerWaalsContact O-CG 3.29Å; A386-L390 WeakPolarHBondContact O-CG 3.43Å; A386-L390 PolarHBondContact O-N 3.22Å; A386-L619 HydrophobicContact CB-CD2 3.87Å |
| 387 | T | 87.4 | Confident | 85.8 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 180 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | S385 R391 I685 E688 I689 | S385-T387 VanDerWaalsContact C-N 3.34Å; S385-T387 PolarHBondContact O-N 3.18Å; S385-T387 PolarHBondContact OG-OG1 2.97Å; S385-T387 VanDerWaalsContact OG-OG1 3.05Å; T387-R391 WeakPolarHBondContact O-CB 3.44Å; T387-R391 VanDerWaalsContact O-CG 3.25Å; T387-R391 WeakPolarHBondContact O-CG 3.28Å; T387-R391 PolarHBondContact O-N 3.45Å; T387-I685 HydrophobicContact CG2-CG2 4.06Å; T387-E688 WeakPolarHBondContact CB-OE2 3.26Å; T387-E688 HydrophobicContact CG2-CB 4.02Å; T387-E688 PolarHBondContact OG1-OE2 3.47Å; T387-I689 HydrophobicContact CG2-CG1 3.75Å |
| 388 | I | 83.9 | Confident | 83.9 | Confident | 43 Ų | 43 | 27.2 Ų | 27.2 | 22% | 0.221 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.4 | -43.2 | 179.3 | -56.8 | 176.2 | 0 | 0 | 0 | 110.9 | S385 A386 L390 R391 K392 P405 | S385-I388 PolarHBondContact O-N 3.21Å; A386-I388 VanDerWaalsContact C-N 3.3Å; A386-I388 PolarHBondContact O-N 3.46Å; I388-L390 VanDerWaalsContact C-N 3.34Å; I388-L390 PolarHBondContact O-N 2.9Å; I388-R391 PolarHBondContact O-N 3.43Å; I388-K392 PolarHBondContact O-N 3.43Å; I388-P405 HydrophobicContact CB-CB 4.44Å; I388-P405 HydrophobicContact CB-CG 4.48Å; I388-P405 HydrophobicContact CD1-CB 3.85Å; I388-P405 HydrophobicContact CG2-CB 3.69Å; I388-P405 HydrophobicContact CG2-CG 3.37Å |
| 389 | V | 87.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.8 | -48.1 | 176.8 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | M345 I372 F374 A384 S385 A386 K392 Q393 Y406 | M345-V389 HydrophobicContact CB-CG1 4.16Å; M345-V389 HydrophobicContact CE-CB 4.38Å; M345-V389 HydrophobicContact CE-CG1 3.61Å; M345-V389 VanDerWaalsContact O-CG1 3.3Å; M345-V389 WeakPolarHBondContact O-CG1 3.37Å; I372-V389 HydrophobicContact CD1-CB 4.35Å; I372-V389 HydrophobicContact CD1-CG2 4.44Å; F374-V389 HydrophobicContact CE2-CG2 4.47Å; F374-V389 HydrophobicContact CZ-CG1 4.27Å; A384-V389 HydrophobicContact CB-CG2 3.6Å; S385-V389 WeakPolarHBondContact O-CG2 3.37Å; S385-V389 PolarHBondContact O-N 3.03Å; A386-V389 PolarHBondContact O-N 3.32Å; V389-K392 PolarHBondContact O-N 2.84Å; V389-Q393 WeakPolarHBondContact O-CB 3.49Å; V389-Q393 PolarHBondContact O-N 3.28Å; V389-Y406 HydrophobicContact CB-CE1 4.48Å; V389-Y406 HydrophobicContact CG2-CE1 3.58Å |
| 390 | L | 89 | Confident | 80.1 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.1 | -37.9 | -179.8 | -64.3 | 172.2 | 0 | 0 | 0 | 112.2 | M345 A386 I388 Q393 F394 L619 V635 L692 | M345-L390 HydrophobicContact CE-CD2 3.89Å; A386-L390 VanDerWaalsContact O-CG 3.29Å; A386-L390 WeakPolarHBondContact O-CG 3.43Å; A386-L390 PolarHBondContact O-N 3.22Å; I388-L390 VanDerWaalsContact C-N 3.34Å; I388-L390 PolarHBondContact O-N 2.9Å; L390-Q393 WeakPolarHBondContact O-CB 3.31Å; L390-Q393 PolarHBondContact O-N 3.07Å; L390-F394 HydrophobicContact CB-CE2 4.45Å; L390-F394 HydrophobicContact CD2-CE2 4.23Å; L390-F394 WeakPolarHBondContact O-CD2 3.34Å; L390-F394 PolarHBondContact O-N 2.99Å; L390-F394 VanDerWaalsContact O-N 3.1Å; L390-L619 HydrophobicContact CD1-CD1 4.25Å; L390-L619 HydrophobicContact CD1-CD2 4.09Å; L390-V635 HydrophobicContact CD1-CG1 3.77Å; L390-V635 HydrophobicContact CD2-CG1 4.31Å; L390-V635 HydrophobicContact CD2-CG2 3.65Å; L390-L692 HydrophobicContact CB-CD1 4.49Å; L390-L692 HydrophobicContact CB-CD2 3.63Å; L390-L692 HydrophobicContact CD1-CD2 3.82Å; L390-L692 HydrophobicContact CG-CD2 4.39Å |
| 391 | R | 85 | Confident | 78.1 | Confident | 28 Ų | 28 | 38.7 Ų | 38.7 | 11% | 0.106 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -49.4 | 174.5 | -80.9 | 176.2 | -179.5 | -148.5 | -6.2 | 111.8 | T387 I388 Q393 F394 F395 L692 | T387-R391 WeakPolarHBondContact O-CB 3.44Å; T387-R391 VanDerWaalsContact O-CG 3.25Å; T387-R391 WeakPolarHBondContact O-CG 3.28Å; T387-R391 PolarHBondContact O-N 3.45Å; I388-R391 PolarHBondContact O-N 3.43Å; R391-Q393 PolarHBondContact O-N 3.19Å; R391-F394 PolarHBondContact O-N 2.9Å; R391-F395 HydrophobicContact CB-CD2 4.21Å; R391-F395 HydrophobicContact CG-CD2 4.2Å; R391-F395 HydrophobicContact CG-CE2 4.41Å; R391-F395 CarbonylContact O-C 3.59Å; R391-F395 WeakPolarHBondContact O-CA 3.47Å; R391-F395 WeakPolarHBondContact O-CB 3.47Å; R391-F395 WeakPolarHBondContact O-CD2 3.39Å; R391-F395 PolarHBondContact O-N 3.25Å; R391-L692 HydrophobicContact CG-CD1 4.46Å |
| 392 | K | 81.8 | Confident | 76.2 | Confident | 44 Ų | 44 | 42.5 Ų | 42.5 | 19% | 0.191 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -27.8 | 177.4 | -70.7 | -162 | 174.9 | -164.7 | 0 | 112.8 | P348 I388 V389 Y406 | P348-K392 HydrophobicContact CB-CB 3.83Å; P348-K392 HydrophobicContact CG-CB 4.16Å; P348-K392 VanDerWaalsContact CG-O 3.3Å; P348-K392 WeakPolarHBondContact CG-O 3.32Å; I388-K392 PolarHBondContact O-N 3.43Å; V389-K392 PolarHBondContact O-N 2.84Å; K392-Y406 HydrophobicContact CD-CE2 4.11Å |
| 393 | Q | 84 | Confident | 74.4 | Confident | 30 Ų | 30 | 46.1 Ų | 46.1 | 14% | 0.14 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.4 | -40.4 | 175.3 | -178 | 58.1 | 26.7 | 0 | 0 | 112.9 | V24 T343 G344 V389 L390 R391 | V24-Q393 HydrophobicContact CG1-CG 3.79Å; V24-Q393 HydrophobicContact CG2-CG 4.19Å; T343-Q393 PolarHBondContact OG1-NE2 3.35Å; G344-Q393 PolarHBondContact O-OE1 3.3Å; V389-Q393 WeakPolarHBondContact O-CB 3.49Å; V389-Q393 PolarHBondContact O-N 3.28Å; L390-Q393 WeakPolarHBondContact O-CB 3.31Å; L390-Q393 PolarHBondContact O-N 3.07Å; R391-Q393 PolarHBondContact O-N 3.19Å |
| 394 | F | 83.3 | Confident | 72.7 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 10% | 0.101 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -102.6 | -18.6 | -174.3 | -61.2 | -64.1 | 0 | 0 | 0 | 114.2 | V22 V24 L390 R391 L692 L696 P719 D720 | V22-F394 HydrophobicContact CG1-CE1 4.13Å; V22-F394 HydrophobicContact CG1-CE2 4.17Å; V22-F394 HydrophobicContact CG1-CZ 3.48Å; V22-F394 VanDerWaalsContact CG1-CZ 3.48Å; V24-F394 HydrophobicContact CG2-CE1 4.48Å; V24-F394 HydrophobicContact CG2-CE2 4.34Å; V24-F394 HydrophobicContact CG2-CZ 3.69Å; L390-F394 HydrophobicContact CB-CE2 4.45Å; L390-F394 HydrophobicContact CD2-CE2 4.23Å; L390-F394 WeakPolarHBondContact O-CD2 3.34Å; L390-F394 PolarHBondContact O-N 2.99Å; L390-F394 VanDerWaalsContact O-N 3.1Å; R391-F394 PolarHBondContact O-N 2.9Å; F394-L692 HydrophobicContact CD2-CD1 4.28Å; F394-L696 HydrophobicContact CB-CD2 3.93Å; F394-L696 HydrophobicContact CD1-CD2 4.02Å; F394-L696 HydrophobicContact CD2-CD1 4.15Å; F394-L696 HydrophobicContact CD2-CD2 3.89Å; F394-L696 HydrophobicContact CE2-CD1 4.13Å; F394-L696 HydrophobicContact CE2-CD2 4.44Å; F394-L696 HydrophobicContact CG-CD2 3.68Å; F394-P719 WeakPolarHBondContact O-CA 3.35Å; F394-D720 PolarHBondContact O-N 3.22Å; F394-D720 VanDerWaalsContact O-N 3.09Å |
| 395 | F | 81.3 | Confident | 71.7 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | trans | -136.7 | 76.5 | -174.6 | -38.7 | -66.9 | 0 | 0 | 0 | 110.2 | R391 T397 L692 L696 I717 Q718 P719 D720 | R391-F395 HydrophobicContact CB-CD2 4.21Å; R391-F395 HydrophobicContact CG-CD2 4.2Å; R391-F395 HydrophobicContact CG-CE2 4.41Å; R391-F395 CarbonylContact O-C 3.59Å; R391-F395 WeakPolarHBondContact O-CA 3.47Å; R391-F395 WeakPolarHBondContact O-CB 3.47Å; R391-F395 WeakPolarHBondContact O-CD2 3.39Å; R391-F395 PolarHBondContact O-N 3.25Å; F395-T397 PolarHBondContact O-N 3.04Å; F395-L692 HydrophobicContact CE2-CD1 3.56Å; F395-L692 HydrophobicContact CZ-CD1 4.14Å; F395-L696 HydrophobicContact CZ-CD2 4.25Å; F395-I717 HydrophobicContact CB-CG2 4.06Å; F395-I717 HydrophobicContact CD1-CB 4.01Å; F395-I717 HydrophobicContact CD1-CG2 3.44Å; F395-I717 VanDerWaalsContact CD1-CG2 3.44Å; F395-I717 HydrophobicContact CD2-CG2 4.34Å; F395-I717 HydrophobicContact CE1-CB 3.99Å; F395-I717 HydrophobicContact CE1-CG2 3.94Å; F395-I717 WeakPolarHBondContact CE1-O 3.49Å; F395-I717 HydrophobicContact CG-CB 4.34Å; F395-I717 HydrophobicContact CG-CG2 3.7Å; F395-I717 HydrophobicContact CZ-CB 4.28Å; F395-Q718 WeakPolarHBondContact CD1-O 3.32Å; F395-P719 HydrophobicContact CD1-CB 4.42Å; F395-P719 HydrophobicContact CE1-CB 4.02Å; F395-D720 WeakPolarHBondContact CA-OD2 3.24Å | ||
| 396 | L | 66.1 | Low | 71.4 | Confident | 117 Ų | 117 | 54.3 Ų | 54.3 | 61% | 0.613 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -58.9 | -33.2 | 175.8 | -65.3 | 168.1 | 0 | 0 | 0 | 112.5 | P348 G398 D720 | P348-L396 HydrophobicContact CB-CD2 4.35Å; P348-L396 HydrophobicContact CG-CD2 4.27Å; L396-G398 PolarHBondContact O-N 3.42Å; L396-D720 WeakPolarHBondContact CA-OD2 3.37Å; L396-D720 VanDerWaalsContact CB-OD2 3.25Å; L396-D720 WeakPolarHBondContact CB-OD2 3.32Å; L396-D720 PolarHBondContact N-OD2 2.73Å |
| 397 | T | 57.2 | Low | 71.2 | Confident | 107 Ų | 107 | 60.7 Ų | 60.7 | 66% | 0.656 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -74.4 | 60.4 | 170.6 | 54.7 | 0 | 0 | 0 | 0 | 110.4 | F395 | F395-T397 PolarHBondContact O-N 3.04Š|
| 398 | G | 53.4 | Low | 71.3 | Confident | 43 Ų | 43 | 64.8 Ų | 64.8 | 44% | 0.443 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 154.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L396 | L396-G398 PolarHBondContact O-N 3.42Š|
| 399 | L | 53.7 | Low | 71.7 | Confident | 109 Ų | 109 | 63 Ų | 63 | 57% | 0.571 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 135.7 | 171.7 | -77.4 | 153.4 | 0 | 0 | 0 | 109.7 | G401 | L399-G401 PolarHBondContact O-N 3.21Š|
| 400 | P | 49.8 | Very low | 71.9 | Confident | 131 Ų | 131 | 70.5 Ų | 70.5 | 85% | 0.851 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 125.3 | 178.9 | 22 | -30.6 | 0 | 0 | 0 | 110.7 | ||
| 401 | G | 51.9 | Low | 71.9 | Confident | 80 Ų | 80 | 71.7 Ų | 71.7 | 83% | 0.825 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.2 | -0.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | L399 A403 | L399-G401 PolarHBondContact O-N 3.21Å; G401-A403 PolarHBondContact O-N 3.18Å; G401-A403 VanDerWaalsContact O-N 3.17Å |
| 402 | E | 54.3 | Low | 72.5 | Confident | 80 Ų | 80 | 71 Ų | 71 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | trans | -69.3 | 111.2 | 173.3 | -77.9 | -174.8 | 177.9 | 0 | 0 | 111.2 | ||||
| 403 | A | 53.4 | Low | 73.1 | Confident | 79 Ų | 79 | 77.1 Ų | 77.1 | 65% | 0.653 | 44% | 0.436 | S | S | * | . | trans | -55.7 | 159.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G401 P405 | G401-A403 PolarHBondContact O-N 3.18Å; G401-A403 VanDerWaalsContact O-N 3.17Å; A403-P405 WeakPolarHBondContact O-CD 3.2Å | ||
| 404 | H | 57 | Low | 73.6 | Confident | 160 Ų | 160 | 76.5 Ų | 76.5 | 74% | 0.741 | 44% | 0.437 | S | S | * | . | trans | -58.3 | 103.4 | 174.6 | -70.4 | 77.3 | 0 | 0 | 0 | 109.4 | Y406 | H404-Y406 PolarHBondContact O-N 2.97Š| ||
| 405 | P | 68.2 | Low | 74.2 | Confident | 32 Ų | 32 | 76 Ų | 76 | 21% | 0.208 | 44% | 0.437 | C | S | . | . | trans | -85.9 | 3.4 | -166 | 35.4 | -34.8 | 0 | 0 | 0 | 112.5 | I388 A403 | I388-P405 HydrophobicContact CB-CB 4.44Å; I388-P405 HydrophobicContact CB-CG 4.48Å; I388-P405 HydrophobicContact CD1-CB 3.85Å; I388-P405 HydrophobicContact CG2-CB 3.69Å; I388-P405 HydrophobicContact CG2-CG 3.37Å; A403-P405 WeakPolarHBondContact O-CD 3.2Å | ||
| 406 | Y | 80.8 | Confident | 75 | Confident | 23 Ų | 23 | 75.6 Ų | 75.6 | 9% | 0.09 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -100.6 | 134.6 | -175.5 | -56 | -89.7 | 0 | 0 | 0 | 110 | L346 V349 V382 A384 V389 K392 H404 | L346-Y406 HydrophobicContact CD2-CD1 4.25Å; L346-Y406 HydrophobicContact CD2-CE1 4.17Å; V349-Y406 HydrophobicContact CB-CD1 4.48Å; V349-Y406 HydrophobicContact CB-CD2 4.05Å; V349-Y406 HydrophobicContact CB-CE1 4.46Å; V349-Y406 HydrophobicContact CB-CE2 4.04Å; V349-Y406 HydrophobicContact CB-CG 4.31Å; V349-Y406 HydrophobicContact CG1-CD1 3.96Å; V349-Y406 HydrophobicContact CG1-CD2 3.38Å; V349-Y406 HydrophobicContact CG1-CE1 4.41Å; V349-Y406 HydrophobicContact CG1-CE2 3.9Å; V349-Y406 HydrophobicContact CG1-CG 3.45Å; V349-Y406 VanDerWaalsContact CG1-CG 3.45Å; V349-Y406 HydrophobicContact CG2-CD1 3.69Å; V349-Y406 HydrophobicContact CG2-CD2 3.69Å; V349-Y406 HydrophobicContact CG2-CE1 3.28Å; V349-Y406 HydrophobicContact CG2-CE2 3.3Å; V349-Y406 HydrophobicContact CG2-CG 3.91Å; V349-Y406 WeakPolarHBondContact CG2-OH 3.46Å; V382-Y406 HydrophobicContact CG1-CD1 3.85Å; V382-Y406 HydrophobicContact CG1-CG 4.32Å; A384-Y406 HydrophobicContact CB-CD1 3.29Å; A384-Y406 HydrophobicContact CB-CE1 3.55Å; A384-Y406 HydrophobicContact CB-CG 4.07Å; V389-Y406 HydrophobicContact CB-CE1 4.48Å; V389-Y406 HydrophobicContact CG2-CE1 3.58Å; K392-Y406 HydrophobicContact CD-CE2 4.11Å; H404-Y406 PolarHBondContact O-N 2.97Å |
| 407 | R | 87.2 | Confident | 76.4 | Confident | 135 Ų | 135 | 72 Ų | 72 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126 | 169 | -65.7 | 177.6 | 176.6 | -139.2 | 2.3 | 107.9 | V382 I383 K449 | V382-R407 CarbonylContact C-O 3.59Å; V382-R407 WeakPolarHBondContact CA-O 3.25Å; I383-R407 PolarHBondContact N-O 3.01Å; I383-R407 PolarHBondContact O-N 3.4Å; R407-K449 PolarHBondContact NH1-O 2.82Å |
| 408 | I | 88.7 | Confident | 78.2 | Confident | 87 Ų | 87 | 67.6 Ų | 67.6 | 45% | 0.446 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.1 | 176.1 | -54.4 | 178.9 | 0 | 0 | 0 | 107.6 | L381 V382 | L381-I408 CarbonylContact O-C 3.49Å; L381-I408 VanDerWaalsContact O-CA 3.28Å; L381-I408 WeakPolarHBondContact O-CA 3.46Å; V382-I408 HydrophobicContact CG2-CG1 4.32Å |
| 409 | L | 92.7 | Very high | 80.3 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.3 | 173.9 | -43.2 | 177.1 | 0 | 0 | 0 | 108.6 | S380 L381 I383 W446 T451 | S380-L409 CarbonylContact C-O 3.58Å; S380-L409 VanDerWaalsContact CA-O 3.26Å; S380-L409 WeakPolarHBondContact CA-O 3.15Å; S380-L409 VanDerWaalsContact CB-O 3.31Å; S380-L409 WeakPolarHBondContact CB-O 3.37Å; L381-L409 HydrophobicContact CB-CB 4.04Å; L381-L409 HydrophobicContact CB-CD1 4.27Å; L381-L409 HydrophobicContact CB-CG 4.31Å; L381-L409 HydrophobicContact CD1-CD1 4.12Å; L381-L409 PolarHBondContact N-O 3.3Å; L381-L409 PolarHBondContact O-N 2.96Å; I383-L409 HydrophobicContact CD1-CD1 3.69Å; I383-L409 HydrophobicContact CD1-CG 4.45Å; I383-L409 HydrophobicContact CG1-CD1 4.45Å; L409-W446 HydrophobicContact CB-CE3 4.02Å; L409-W446 HydrophobicContact CB-CH2 3.89Å; L409-W446 HydrophobicContact CB-CZ3 3.57Å; L409-W446 HydrophobicContact CD1-CD2 4.06Å; L409-W446 HydrophobicContact CD1-CE3 3.82Å; L409-W446 HydrophobicContact CD1-CG 4.44Å; L409-W446 HydrophobicContact CD1-CZ3 4.27Å; L409-W446 HydrophobicContact CG-CE3 4.43Å; L409-W446 HydrophobicContact CG-CZ3 4.44Å; L409-T451 HydrophobicContact CD2-CG2 3.89Å |
| 410 | Q | 91.1 | Very high | 82.4 | Confident | 158 Ų | 158 | 62 Ų | 62 | 74% | 0.738 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 134.9 | 176.7 | -68.5 | -171.4 | -22.9 | 0 | 0 | 109.2 | ||
| 411 | G | 89.8 | Confident | 84.6 | Confident | 25 Ų | 25 | 56.2 Ų | 56.2 | 26% | 0.258 | 31% | 0.314 | S | S | . | . | trans | -179.2 | -31.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | R456 | G411-R456 PolarHBondContact O-NH1 3.01Š| ||
| 412 | H | 97.2 | Very high | 86.7 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 6% | 0.06 | 27% | 0.274 | C | S | . | . | trans | -83 | 146.6 | 172 | -73 | -79 | 0 | 0 | 0 | 110.9 | G379 G414 V416 S436 G438 D440 S442 | G379-H412 WeakPolarHBondContact O-CB 3.44Å; G379-H412 PolarHBondContact O-N 3.05Å; H412-G414 WeakPolarHBondContact CB-O 3.37Å; H412-V416 HydrophobicContact CB-CG2 4.41Å; H412-S436 PolarHBondContact CD2-OG 2.81Å; H412-S436 WeakPolarHBondContact NE2-CB 3.23Å; H412-S436 PolarHBondContact NE2-OG 3.12Å; H412-G438 PolarHBondContact CE1-N 2.5Å; H412-D440 VanDerWaalsContact CA-OD2 3.32Å; H412-D440 WeakPolarHBondContact CA-OD2 3.41Å; H412-D440 IonicContact CE1-OD1 3.2Å; H412-D440 IonicContact CG-OD1 3.64Å; H412-D440 IonicContact CG-OD2 3.23Å; H412-D440 IonicContact ND1-OD1 3.77Å; H412-D440 PolarHBondContact ND1-OD1 2.96Å; H412-D440 IonicContact ND1-OD2 3.92Å; H412-D440 PolarHBondContact ND1-OD2 3.14Å; H412-S442 PolarHBondContact CE1-O 2.79Å; H412-S442 PolarHBondContact CE1-OG 3.29Å; H412-S442 PolarHBondContact ND1-OG 3.16Å | ||
| 413 | E | 95.1 | Very high | 88.6 | Confident | 174 Ų | 174 | 52.6 Ų | 52.6 | 81% | 0.813 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -91.2 | -4.6 | 176.8 | -62.2 | -178.2 | 172.1 | 0 | 0 | 112.8 | D440 | E413-D440 HydrophobicContact CB-CB 4.1Å; E413-D440 PolarHBondContact N-OD2 2.98Å |
| 414 | G | 93.8 | Very high | 90.2 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 17% | 0.165 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -147.9 | -177.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | G379 H412 V416 | G379-G414 WeakPolarHBondContact CA-O 3.37Å; H412-G414 WeakPolarHBondContact CB-O 3.37Å; G414-V416 PolarHBondContact O-N 2.69Å |
| 415 | A | 95.5 | Very high | 91.7 | Very high | 12 Ų | 12 | 48.2 Ų | 48.2 | 10% | 0.099 | 24% | 0.239 | C | C | . | . | trans | -55.2 | 139.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113 | T361 T417 G438 E439 | T361-A415 HydrophobicContact CG2-CB 4.28Å; A415-T417 PolarHBondContact O-N 3.08Å; A415-G438 CarbonylContact O-C 3.53Å; A415-G438 WeakPolarHBondContact O-CA 3.33Å; A415-E439 HydrophobicContact CB-CB 4.32Å; A415-E439 WeakPolarHBondContact CB-OE2 3.42Å; A415-E439 PolarHBondContact N-OE2 2.92Å; A415-E439 PolarHBondContact O-N 2.98Å | ||
| 416 | V | 97.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 110.7 | 173.3 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | T361 C362 R376 L381 H412 G414 L419 G437 | T361-V416 VanDerWaalsContact CB-O 3.31Å; T361-V416 WeakPolarHBondContact CB-O 3.27Å; T361-V416 PolarHBondContact OG1-O 2.8Å; C362-V416 PolarHBondContact SG-O 3.27Å; R376-V416 PolarHBondContact O-N 2.87Å; L381-V416 HydrophobicContact CD2-CB 4.13Å; L381-V416 HydrophobicContact CD2-CG1 3.62Å; L381-V416 HydrophobicContact CD2-CG2 3.78Å; H412-V416 HydrophobicContact CB-CG2 4.41Å; G414-V416 PolarHBondContact O-N 2.69Å; V416-L419 HydrophobicContact CG1-CD2 4.32Å; V416-L419 HydrophobicContact CG1-CG 4.41Å; V416-G437 WeakPolarHBondContact CG1-O 3.33Å |
| 417 | T | 95.5 | Very high | 93 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -35.4 | -171 | 45.4 | 0 | 0 | 0 | 0 | 113 | C362 A415 G437 E439 I464 | C362-T417 WeakPolarHBondContact CB-O 3.39Å; A415-T417 PolarHBondContact O-N 3.08Å; T417-G437 PolarHBondContact N-O 2.82Å; T417-G437 VanDerWaalsContact OG1-C 3.32Å; T417-G437 PolarHBondContact OG1-O 3.19Å; T417-G437 VanDerWaalsContact OG1-O 3.1Å; T417-E439 HydrophobicContact CG2-CB 4.42Å; T417-I464 WeakPolarHBondContact CB-O 3.44Å; T417-I464 PolarHBondContact OG1-O 3.09Å |
| 418 | C | 96.1 | Very high | 93.3 | Very high | 15 Ų | 15 | 48.1 Ų | 48.1 | 10% | 0.101 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 159.2 | 179.4 | 61.6 | 0 | 0 | 0 | 0 | 113 | S436 G437 | C418-S436 WeakPolarHBondContact O-CA 3.31Å; C418-G437 PolarHBondContact N-O 3.42Å; C418-G437 PolarHBondContact O-N 2.8Å |
| 419 | L | 97.6 | Very high | 93.6 | Very high | 23 Ų | 23 | 44.5 Ų | 44.5 | 12% | 0.12 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 143.2 | -179.6 | -73.8 | 169.1 | 0 | 0 | 0 | 110.2 | L364 A373 L381 V416 L435 | L364-L419 HydrophobicContact CB-CB 3.74Å; L364-L419 HydrophobicContact CB-CD1 4.07Å; L364-L419 HydrophobicContact CD2-CB 3.98Å; L364-L419 HydrophobicContact CG-CB 4.44Å; A373-L419 HydrophobicContact CB-CD1 4.02Å; L381-L419 HydrophobicContact CD1-CD2 4.35Å; L381-L419 HydrophobicContact CD2-CD2 3.71Å; V416-L419 HydrophobicContact CG1-CD2 4.32Å; V416-L419 HydrophobicContact CG1-CG 4.41Å; L419-L435 WeakPolarHBondContact CA-O 3.3Å |
| 420 | L | 97.3 | Very high | 93.6 | Very high | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 127.2 | 175.5 | 173.7 | 66.2 | 0 | 0 | 0 | 110.4 | P422 E425 L435 L467 V469 V482 | L420-P422 HydrophobicContact CD2-CB 4.48Å; L420-P422 HydrophobicContact CG-CB 4.4Å; L420-P422 VanDerWaalsContact O-CD 3.26Å; L420-P422 WeakPolarHBondContact O-CD 3.35Å; L420-E425 HydrophobicContact CD1-CG 3.95Å; L420-L435 HydrophobicContact CB-CB 4.22Å; L420-L435 HydrophobicContact CD2-CD1 4Å; L420-L435 HydrophobicContact CG-CD1 4.5Å; L420-L435 PolarHBondContact N-O 2.86Å; L420-L435 PolarHBondContact O-N 2.96Å; L420-L467 HydrophobicContact CB-CB 3.73Å; L420-L467 HydrophobicContact CB-CD1 4.08Å; L420-L467 HydrophobicContact CD2-CB 3.85Å; L420-L467 HydrophobicContact CG-CB 4.4Å; L420-V469 HydrophobicContact CD1-CG2 4.29Å; L420-V469 HydrophobicContact CD2-CG2 3.98Å; L420-V482 HydrophobicContact CD2-CB 4.48Å; L420-V482 HydrophobicContact CD2-CG1 4.18Å |
| 421 | Y | 96.7 | Very high | 93.7 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | trans | -105.4 | 88.4 | 170 | 179.4 | -129.8 | 0 | 0 | 0 | 108.2 | M366 Y423 Q424 A431 H433 L448 | M366-Y421 HydrophobicContact CB-CD1 3.91Å; M366-Y421 HydrophobicContact CB-CE1 4.22Å; M366-Y421 HydrophobicContact CB-CG 4.48Å; M366-Y421 HydrophobicContact CG-CD1 3.65Å; M366-Y421 HydrophobicContact CG-CD2 4.42Å; M366-Y421 HydrophobicContact CG-CE1 4.31Å; M366-Y421 HydrophobicContact CG-CG 3.74Å; M366-Y421 HydrophobicContact SD-CD1 4.26Å; M366-Y421 HydrophobicContact SD-CD2 4.07Å; M366-Y421 HydrophobicContact SD-CE2 4.46Å; M366-Y421 HydrophobicContact SD-CG 3.99Å; Y421-Y423 HydrophobicContact CE1-CD1 4.14Å; Y421-Y423 AromaticContact CZ-CD1 3.92Å; Y421-Y423 PolarHBondContact O-N 2.72Å; Y421-Y423 WeakPolarHBondContact OH-CD1 3.33Å; Y421-Q424 HydrophobicContact CD1-CB 3.45Å; Y421-Q424 VanDerWaalsContact CD1-CB 3.45Å; Y421-Q424 HydrophobicContact CE1-CB 3.98Å; Y421-Q424 HydrophobicContact CG-CB 4.35Å; Y421-Q424 WeakPolarHBondContact O-CB 3.24Å; Y421-Q424 PolarHBondContact O-N 3.36Å; Y421-A431 WeakPolarHBondContact CE2-O 2.95Å; Y421-A431 WeakPolarHBondContact OH-CA 3.45Å; Y421-A431 PolarHBondContact OH-O 2.9Å; Y421-H433 WeakPolarHBondContact CD2-O 3.07Å; Y421-H433 WeakPolarHBondContact CE2-O 3.26Å; Y421-L448 HydrophobicContact CD2-CD1 4.25Å; Y421-L448 HydrophobicContact CE2-CD1 3.88Å | ||
| 422 | P | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.5 | -27.2 | -163.9 | 27.7 | -37 | 0 | 0 | 0 | 113.1 | L420 Q424 E425 N426 Y429 L435 V469 V482 L496 | L420-P422 HydrophobicContact CD2-CB 4.48Å; L420-P422 HydrophobicContact CG-CB 4.4Å; L420-P422 VanDerWaalsContact O-CD 3.26Å; L420-P422 WeakPolarHBondContact O-CD 3.35Å; P422-Q424 VanDerWaalsContact C-N 3.25Å; P422-Q424 PolarHBondContact O-N 3.27Å; P422-E425 PolarHBondContact O-N 3.5Å; P422-E425 VanDerWaalsContact O-N 3.16Å; P422-N426 PolarHBondContact O-N 3.35Å; P422-Y429 HydrophobicContact CB-CD1 4.05Å; P422-Y429 HydrophobicContact CB-CD2 3.71Å; P422-Y429 HydrophobicContact CB-CE1 4.44Å; P422-Y429 HydrophobicContact CB-CE2 4.15Å; P422-Y429 HydrophobicContact CB-CG 3.66Å; P422-Y429 HydrophobicContact CG-CD1 4.39Å; P422-Y429 HydrophobicContact CG-CG 4.14Å; P422-Y429 WeakPolarHBondContact O-CD2 3.36Å; P422-L435 HydrophobicContact CG-CD1 4.3Å; P422-V469 HydrophobicContact CB-CG2 4.05Å; P422-V482 HydrophobicContact CB-CG1 4.5Å; P422-L496 HydrophobicContact CG-CD1 4.43Å |
| 423 | Y | 93.5 | Very high | 93.9 | Very high | 84 Ų | 84 | 42.9 Ų | 42.9 | 33% | 0.329 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.9 | -32.6 | 174.6 | 179.7 | -103.6 | 0 | 0 | 0 | 113.4 | Y421 N426 C427 Y429 A431 | Y421-Y423 HydrophobicContact CE1-CD1 4.14Å; Y421-Y423 AromaticContact CZ-CD1 3.92Å; Y421-Y423 PolarHBondContact O-N 2.72Å; Y421-Y423 WeakPolarHBondContact OH-CD1 3.33Å; Y423-N426 WeakPolarHBondContact CA-O 3.27Å; Y423-N426 CarbonylContact O-C 3.57Å; Y423-N426 VanDerWaalsContact O-C 3.28Å; Y423-C427 HydrophobicContact CD2-CB 4.47Å; Y423-C427 HydrophobicContact CE2-CB 3.93Å; Y423-Y429 WeakPolarHBondContact CD2-O 3.43Å; Y423-A431 HydrophobicContact CD1-CB 3.74Å; Y423-A431 HydrophobicContact CD2-CB 4.06Å; Y423-A431 HydrophobicContact CE1-CB 3.86Å; Y423-A431 HydrophobicContact CE2-CB 4.16Å; Y423-A431 HydrophobicContact CG-CB 3.83Å |
| 424 | Q | 88.3 | Confident | 94 | Very high | 38 Ų | 38 | 34.6 Ų | 34.6 | 18% | 0.178 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.8 | -32.6 | 176.7 | 170.9 | 174.8 | -67.4 | 0 | 0 | 112.4 | F365 Y421 P422 | F365-Q424 PolarHBondContact O-NE2 3.14Å; F365-Q424 PolarHBondContact O-OE1 3.16Å; Y421-Q424 HydrophobicContact CD1-CB 3.45Å; Y421-Q424 VanDerWaalsContact CD1-CB 3.45Å; Y421-Q424 HydrophobicContact CE1-CB 3.98Å; Y421-Q424 HydrophobicContact CG-CB 4.35Å; Y421-Q424 WeakPolarHBondContact O-CB 3.24Å; Y421-Q424 PolarHBondContact O-N 3.36Å; P422-Q424 VanDerWaalsContact C-N 3.25Å; P422-Q424 PolarHBondContact O-N 3.27Å |
| 425 | E | 87 | Confident | 94.2 | Very high | 109 Ų | 109 | 33.9 Ų | 33.9 | 51% | 0.509 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -76.6 | -36.8 | 175.4 | -59.1 | -53.3 | 129.3 | 0 | 0 | 111.2 | L420 P422 V469 | L420-E425 HydrophobicContact CD1-CG 3.95Å; P422-E425 PolarHBondContact O-N 3.5Å; P422-E425 VanDerWaalsContact O-N 3.16Å; E425-V469 HydrophobicContact CB-CB 4.15Å; E425-V469 HydrophobicContact CB-CG1 4.44Å; E425-V469 HydrophobicContact CB-CG2 3.89Å; E425-V469 HydrophobicContact CG-CG2 4.18Å |
| 426 | N | 89 | Confident | 94.3 | Very high | 42 Ų | 42 | 33.3 Ų | 33.3 | 23% | 0.225 | 18% | 0.177 | C | C | . | . | trans | -155.4 | 132.8 | 174.8 | -163.4 | -67.7 | 0 | 0 | 0 | 112.2 | P422 Y423 R428 Y429 | P422-N426 PolarHBondContact O-N 3.35Å; Y423-N426 WeakPolarHBondContact CA-O 3.27Å; Y423-N426 CarbonylContact O-C 3.57Å; Y423-N426 VanDerWaalsContact O-C 3.28Å; N426-R428 HydrophobicContact CB-CG 4.11Å; N426-R428 PolarHBondContact ND2-NH1 3.08Å; N426-R428 PolarHBondContact O-N 3.46Å; N426-R428 VanDerWaalsContact OD1-CB 3.32Å; N426-R428 WeakPolarHBondContact OD1-CB 3.45Å; N426-R428 WeakPolarHBondContact OD1-CD 3.41Å; N426-R428 VanDerWaalsContact OD1-CG 3.24Å; N426-R428 WeakPolarHBondContact OD1-CG 3.24Å; N426-R428 PolarHBondContact OD1-N 3.34Å; N426-Y429 HydrophobicContact CB-CD2 4.32Å; N426-Y429 HydrophobicContact CB-CE2 4.28Å; N426-Y429 WeakPolarHBondContact O-CD2 3.49Å; N426-Y429 PolarHBondContact O-N 3.48Å | ||
| 427 | C | 88.8 | Confident | 94.4 | Very high | 99 Ų | 99 | 33.3 Ų | 33.3 | 67% | 0.669 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -3.5 | -177.9 | 61.2 | 0 | 0 | 0 | 0 | 115.1 | Y423 Y429 | Y423-C427 HydrophobicContact CD2-CB 4.47Å; Y423-C427 HydrophobicContact CE2-CB 3.93Å; C427-Y429 PolarHBondContact O-N 3.36Å |
| 428 | R | 92.2 | Very high | 94.5 | Very high | 47 Ų | 47 | 31.3 Ų | 31.3 | 18% | 0.177 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -17.5 | 174.8 | 74.2 | -169.6 | -173 | -132.6 | 8.6 | 114.7 | N426 P470 L479 Q480 | N426-R428 HydrophobicContact CB-CG 4.11Å; N426-R428 PolarHBondContact ND2-NH1 3.08Å; N426-R428 PolarHBondContact O-N 3.46Å; N426-R428 VanDerWaalsContact OD1-CB 3.32Å; N426-R428 WeakPolarHBondContact OD1-CB 3.45Å; N426-R428 WeakPolarHBondContact OD1-CD 3.41Å; N426-R428 VanDerWaalsContact OD1-CG 3.24Å; N426-R428 WeakPolarHBondContact OD1-CG 3.24Å; N426-R428 PolarHBondContact OD1-N 3.34Å; R428-P470 PolarHBondContact NH1-O 3.47Å; R428-P470 VanDerWaalsContact NH1-O 3.15Å; R428-P470 PolarHBondContact NH2-O 2.86Å; R428-L479 PolarHBondContact NE-O 2.9Å; R428-L479 PolarHBondContact NH2-O 2.73Å; R428-Q480 PolarHBondContact O-NE2 3.37Å |
| 429 | Y | 94.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 4% | 0.043 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -89.9 | 168.9 | 176.5 | -61.7 | -80.2 | 0 | 0 | 0 | 111.2 | P422 Y423 N426 C427 V469 L479 S481 V482 L496 | P422-Y429 HydrophobicContact CB-CD1 4.05Å; P422-Y429 HydrophobicContact CB-CD2 3.71Å; P422-Y429 HydrophobicContact CB-CE1 4.44Å; P422-Y429 HydrophobicContact CB-CE2 4.15Å; P422-Y429 HydrophobicContact CB-CG 3.66Å; P422-Y429 HydrophobicContact CG-CD1 4.39Å; P422-Y429 HydrophobicContact CG-CG 4.14Å; P422-Y429 WeakPolarHBondContact O-CD2 3.36Å; Y423-Y429 WeakPolarHBondContact CD2-O 3.43Å; N426-Y429 HydrophobicContact CB-CD2 4.32Å; N426-Y429 HydrophobicContact CB-CE2 4.28Å; N426-Y429 WeakPolarHBondContact O-CD2 3.49Å; N426-Y429 PolarHBondContact O-N 3.48Å; C427-Y429 PolarHBondContact O-N 3.36Å; Y429-V469 HydrophobicContact CE2-CB 4.47Å; Y429-V469 HydrophobicContact CE2-CG1 3.55Å; Y429-V469 HydrophobicContact CE2-CG2 4.04Å; Y429-L479 PolarHBondContact OH-O 3.34Å; Y429-S481 PolarHBondContact OH-O 2.99Å; Y429-V482 HydrophobicContact CE1-CG1 4.17Å; Y429-L496 HydrophobicContact CD1-CD1 3.91Å; Y429-L496 HydrophobicContact CE1-CD1 4Å |
| 430 | D | 93.8 | Very high | 94.5 | Very high | 79 Ų | 79 | 35.8 Ų | 35.8 | 42% | 0.422 | 19% | 0.185 | S | C | . | . | trans | -79.8 | 132 | 175.1 | -162.7 | -40.3 | 0 | 0 | 0 | 110.5 | A432 H433 | D430-A432 PolarHBondContact O-N 2.68Å; D430-A432 WeakPolarHBondContact OD1-CB 3.3Å; D430-A432 PolarHBondContact OD1-N 3.27Å; D430-H433 HydrophobicContact CB-CB 4.44Å; D430-H433 PolarHBondContact O-N 3.15Å | ||
| 431 | A | 92.4 | Very high | 94.6 | Very high | 43 Ų | 43 | 39.4 Ų | 39.4 | 36% | 0.355 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y421 Y423 | Y421-A431 WeakPolarHBondContact CE2-O 2.95Å; Y421-A431 WeakPolarHBondContact OH-CA 3.45Å; Y421-A431 PolarHBondContact OH-O 2.9Å; Y423-A431 HydrophobicContact CD1-CB 3.74Å; Y423-A431 HydrophobicContact CD2-CB 4.06Å; Y423-A431 HydrophobicContact CE1-CB 3.86Å; Y423-A431 HydrophobicContact CE2-CB 4.16Å; Y423-A431 HydrophobicContact CG-CB 3.83Å |
| 432 | A | 94.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 39 Ų | 39 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -10.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D430 D447 L448 K449 | D430-A432 PolarHBondContact O-N 2.68Å; D430-A432 WeakPolarHBondContact OD1-CB 3.3Å; D430-A432 PolarHBondContact OD1-N 3.27Å; A432-D447 CarbonylContact O-C 3.54Å; A432-L448 WeakPolarHBondContact O-CB 3.07Å; A432-L448 WeakPolarHBondContact O-CG 3.43Å; A432-L448 PolarHBondContact O-N 3.42Å; A432-K449 HydrophobicContact CB-CD 4.11Å; A432-K449 HydrophobicContact CB-CG 4.2Å |
| 433 | H | 96.3 | Very high | 94.8 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 18% | 0.181 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 133.8 | -174.9 | -71 | -179.3 | 0 | 0 | 0 | 112.8 | Y421 D430 L445 W446 I454 | Y421-H433 WeakPolarHBondContact CD2-O 3.07Å; Y421-H433 WeakPolarHBondContact CE2-O 3.26Å; D430-H433 HydrophobicContact CB-CB 4.44Å; D430-H433 PolarHBondContact O-N 3.15Å; H433-L445 HydrophobicContact CB-CD1 3.91Å; H433-W446 WeakPolarHBondContact CA-O 3.4Å; H433-I454 WeakPolarHBondContact NE2-CD1 3.46Å |
| 434 | L | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 143.6 | 168.2 | 175.8 | 72.3 | 0 | 0 | 0 | 109.2 | L364 M366 A373 L381 I383 W446 L448 | L364-L434 HydrophobicContact CD2-CD1 3.84Å; M366-L434 HydrophobicContact SD-CD1 4.49Å; A373-L434 HydrophobicContact CB-CD2 4.42Å; L381-L434 HydrophobicContact CD1-CD2 4.48Å; I383-L434 HydrophobicContact CD1-CD2 3.8Å; L434-W446 HydrophobicContact CB-CB 4.28Å; L434-W446 PolarHBondContact N-O 2.96Å; L434-W446 PolarHBondContact O-N 3.3Å; L434-L448 HydrophobicContact CB-CD1 4.25Å; L434-L448 HydrophobicContact CB-CD2 3.77Å; L434-L448 HydrophobicContact CB-CG 3.94Å; L434-L448 HydrophobicContact CD2-CD2 3.94Å; L434-L448 HydrophobicContact CG-CD2 4.45Å |
| 435 | L | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142.7 | 173.4 | -71.5 | 161 | 0 | 0 | 0 | 111.1 | L419 L420 P422 V443 L444 L445 L467 V482 L496 | L419-L435 WeakPolarHBondContact CA-O 3.3Å; L420-L435 HydrophobicContact CB-CB 4.22Å; L420-L435 HydrophobicContact CD2-CD1 4Å; L420-L435 HydrophobicContact CG-CD1 4.5Å; L420-L435 PolarHBondContact N-O 2.86Å; L420-L435 PolarHBondContact O-N 2.96Å; P422-L435 HydrophobicContact CG-CD1 4.3Å; L435-V443 HydrophobicContact CD2-CG1 3.92Å; L435-L444 VanDerWaalsContact CA-O 3.28Å; L435-L444 WeakPolarHBondContact CA-O 3.3Å; L435-L445 HydrophobicContact CD2-CB 3.95Å; L435-L445 HydrophobicContact CD2-CD1 3.81Å; L435-L445 HydrophobicContact CD2-CG 4.48Å; L435-L445 HydrophobicContact CG-CD1 4.16Å; L435-L467 HydrophobicContact CB-CD1 4.01Å; L435-V482 HydrophobicContact CD1-CB 4.08Å; L435-V482 HydrophobicContact CD1-CG1 3.69Å; L435-V482 HydrophobicContact CD1-CG2 3.72Å; L435-L496 HydrophobicContact CD1-CD1 4.01Å; L435-L496 HydrophobicContact CD1-CD2 4.27Å; L435-L496 HydrophobicContact CD2-CD2 3.95Å |
| 436 | S | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 139.5 | 169.5 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | H412 C418 V443 L444 W446 | H412-S436 PolarHBondContact CD2-OG 2.81Å; H412-S436 WeakPolarHBondContact NE2-CB 3.23Å; H412-S436 PolarHBondContact NE2-OG 3.12Å; C418-S436 WeakPolarHBondContact O-CA 3.31Å; S436-V443 CarbonylContact O-C 3.51Å; S436-V443 WeakPolarHBondContact O-CA 3.43Å; S436-L444 PolarHBondContact N-O 3.22Å; S436-L444 PolarHBondContact O-N 2.58Å; S436-W446 PolarHBondContact OG-NE1 2.93Å |
| 437 | G | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 147.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | V416 T417 C418 S442 | V416-G437 WeakPolarHBondContact CG1-O 3.33Å; T417-G437 PolarHBondContact N-O 2.82Å; T417-G437 VanDerWaalsContact OG1-C 3.32Å; T417-G437 PolarHBondContact OG1-O 3.19Å; T417-G437 VanDerWaalsContact OG1-O 3.1Å; C418-G437 PolarHBondContact N-O 3.42Å; C418-G437 PolarHBondContact O-N 2.8Å; G437-S442 WeakPolarHBondContact CA-O 3.13Å |
| 438 | G | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 166.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H412 A415 D440 F441 S442 I464 | H412-G438 PolarHBondContact CE1-N 2.5Å; A415-G438 CarbonylContact O-C 3.53Å; A415-G438 WeakPolarHBondContact O-CA 3.33Å; G438-D440 PolarHBondContact O-N 3.32Å; G438-F441 PolarHBondContact O-N 2.95Å; G438-S442 PolarHBondContact N-O 3.38Å; G438-S442 VanDerWaalsContact N-O 3.1Å; G438-I464 PolarHBondContact O-N 3.5Å; G438-I464 VanDerWaalsContact O-N 3.07Å |
| 439 | E | 96.9 | Very high | 96.3 | Very high | 106 Ų | 106 | 30 Ų | 30 | 50% | 0.495 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.1 | 168.2 | -166.6 | 178.7 | -173.2 | 0 | 0 | 112.2 | A415 T417 F441 P463 | A415-E439 HydrophobicContact CB-CB 4.32Å; A415-E439 WeakPolarHBondContact CB-OE2 3.42Å; A415-E439 PolarHBondContact N-OE2 2.92Å; A415-E439 PolarHBondContact O-N 2.98Å; T417-E439 HydrophobicContact CG2-CB 4.42Å; E439-F441 WeakPolarHBondContact O-CD1 3.19Å; E439-F441 WeakPolarHBondContact O-CE1 3.3Å; E439-F441 PolarHBondContact O-N 2.94Å; E439-P463 HydrophobicContact CG-CG 4.11Å |
| 440 | D | 97.8 | Very high | 96 | Very high | 26 Ų | 26 | 32.1 Ų | 32.1 | 14% | 0.139 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 17.3 | 173.7 | 69 | -7.5 | 0 | 0 | 0 | 114 | H412 E413 G438 S442 R456 | H412-D440 VanDerWaalsContact CA-OD2 3.32Å; H412-D440 WeakPolarHBondContact CA-OD2 3.41Å; H412-D440 IonicContact CE1-OD1 3.2Å; H412-D440 IonicContact CG-OD1 3.64Å; H412-D440 IonicContact CG-OD2 3.23Å; H412-D440 IonicContact ND1-OD1 3.77Å; H412-D440 PolarHBondContact ND1-OD1 2.96Å; H412-D440 IonicContact ND1-OD2 3.92Å; H412-D440 PolarHBondContact ND1-OD2 3.14Å; E413-D440 HydrophobicContact CB-CB 4.1Å; E413-D440 PolarHBondContact N-OD2 2.98Å; G438-D440 PolarHBondContact O-N 3.32Å; D440-S442 PolarHBondContact O-N 2.8Å; D440-S442 VanDerWaalsContact O-N 3.11Å; D440-S442 PolarHBondContact OD1-N 2.81Å; D440-S442 PolarHBondContact OD1-OG 3.34Å; D440-S442 PolarHBondContact OD2-OG 2.76Å; D440-R456 IonicContact OD1-NH2 3.86Å; D440-R456 IonicContact OD2-CZ 3.29Å; D440-R456 VanDerWaalsContact OD2-CZ 3.29Å; D440-R456 IonicContact OD2-NH1 2.89Å; D440-R456 PolarHBondContact OD2-NH1 3.15Å; D440-R456 IonicContact OD2-NH2 2.75Å; D440-R456 PolarHBondContact OD2-NH2 3.41Å |
| 441 | F | 98.1 | Very high | 95.8 | Very high | 88 Ų | 88 | 31 Ų | 31 | 39% | 0.386 | 16% | 0.163 | S | C | . | . | S | Bend | trans | 63.4 | 16.1 | 175.5 | -40.7 | -19.3 | 0 | 0 | 0 | 113.9 | G438 E439 G462 P463 | G438-F441 PolarHBondContact O-N 2.95Å; E439-F441 WeakPolarHBondContact O-CD1 3.19Å; E439-F441 WeakPolarHBondContact O-CE1 3.3Å; E439-F441 PolarHBondContact O-N 2.94Å; F441-G462 WeakPolarHBondContact CA-O 3.35Å; F441-G462 WeakPolarHBondContact CB-O 3.45Å; F441-G462 WeakPolarHBondContact CD1-O 3.03Å; F441-P463 HydrophobicContact CD1-CG 4.2Å; F441-P463 VanDerWaalsContact CD1-N 3.26Å; F441-P463 HydrophobicContact CE1-CG 3.96Å |
| 442 | S | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -110.9 | 150.7 | -174.2 | 76.6 | 0 | 0 | 0 | 0 | 112.8 | H412 G437 G438 D440 R456 F457 I464 | H412-S442 PolarHBondContact CE1-O 2.79Å; H412-S442 PolarHBondContact CE1-OG 3.29Å; H412-S442 PolarHBondContact ND1-OG 3.16Å; G437-S442 WeakPolarHBondContact CA-O 3.13Å; G438-S442 PolarHBondContact N-O 3.38Å; G438-S442 VanDerWaalsContact N-O 3.1Å; D440-S442 PolarHBondContact O-N 2.8Å; D440-S442 VanDerWaalsContact O-N 3.11Å; D440-S442 PolarHBondContact OD1-N 2.81Å; D440-S442 PolarHBondContact OD1-OG 3.34Å; D440-S442 PolarHBondContact OD2-OG 2.76Å; S442-R456 PolarHBondContact OG-NH1 3.35Å; S442-R456 VanDerWaalsContact OG-NH1 3.12Å; S442-R456 PolarHBondContact OG-NH2 2.67Å; S442-F457 VanDerWaalsContact CA-O 3.27Å; S442-F457 WeakPolarHBondContact CA-O 3.2Å; S442-I464 WeakPolarHBondContact O-CG1 3.38Å | ||
| 443 | V | 98.7 | Very high | 96 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 120 | 165.5 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | L435 S436 F457 I464 L467 L494 | L435-V443 HydrophobicContact CD2-CG1 3.92Å; S436-V443 CarbonylContact O-C 3.51Å; S436-V443 WeakPolarHBondContact O-CA 3.43Å; V443-F457 HydrophobicContact CB-CB 4.26Å; V443-F457 PolarHBondContact N-O 2.92Å; V443-F457 PolarHBondContact O-N 3Å; V443-I464 HydrophobicContact CG2-CD1 4.14Å; V443-I464 HydrophobicContact CG2-CG1 3.93Å; V443-I464 HydrophobicContact CG2-CG2 4.08Å; V443-L467 HydrophobicContact CG1-CD1 4.43Å; V443-L467 HydrophobicContact CG1-CD2 3.93Å; V443-L467 HydrophobicContact CG2-CD2 4Å; V443-L494 HydrophobicContact CB-CD1 3.85Å; V443-L494 HydrophobicContact CG1-CD1 4.01Å; V443-L494 HydrophobicContact CG2-CD1 3.92Å |
| 444 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.6 | 178.6 | -59.9 | -174.8 | 0 | 0 | 0 | 110.7 | L435 S436 W446 I453 R456 | L435-L444 VanDerWaalsContact CA-O 3.28Å; L435-L444 WeakPolarHBondContact CA-O 3.3Å; S436-L444 PolarHBondContact N-O 3.22Å; S436-L444 PolarHBondContact O-N 2.58Å; L444-W446 HydrophobicContact CB-CZ2 4.09Å; L444-W446 HydrophobicContact CD1-CH2 4.16Å; L444-W446 HydrophobicContact CD1-CZ2 3.48Å; L444-W446 VanDerWaalsContact CD1-CZ2 3.48Å; L444-W446 HydrophobicContact CG-CZ2 4.43Å; L444-I453 HydrophobicContact CD1-CD1 4.23Å; L444-I453 HydrophobicContact CD2-CG2 4.36Å; L444-R456 HydrophobicContact CD2-CB 3.43Å; L444-R456 VanDerWaalsContact CD2-CB 3.43Å; L444-R456 HydrophobicContact CD2-CG 3.39Å |
| 445 | L | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 124.4 | 170.1 | 177.2 | 64.7 | 0 | 0 | 0 | 109 | H433 L435 I453 I454 H455 L496 L499 | H433-L445 HydrophobicContact CB-CD1 3.91Å; L435-L445 HydrophobicContact CD2-CB 3.95Å; L435-L445 HydrophobicContact CD2-CD1 3.81Å; L435-L445 HydrophobicContact CD2-CG 4.48Å; L435-L445 HydrophobicContact CG-CD1 4.16Å; L445-I453 CarbonylContact O-C 3.55Å; L445-I454 HydrophobicContact CB-CB 4.45Å; L445-I454 HydrophobicContact CD2-CB 4.05Å; L445-I454 HydrophobicContact CD2-CD1 4.26Å; L445-I454 HydrophobicContact CD2-CG2 3.91Å; L445-I454 HydrophobicContact CG-CB 4Å; L445-I454 HydrophobicContact CG-CD1 4.04Å; L445-I454 HydrophobicContact CG-CG2 4.42Å; L445-I454 PolarHBondContact O-N 3.31Å; L445-H455 HydrophobicContact CB-CB 4.39Å; L445-H455 PolarHBondContact N-O 3.19Å; L445-H455 PolarHBondContact O-N 3.14Å; L445-L496 HydrophobicContact CD1-CD2 4.44Å; L445-L496 HydrophobicContact CD2-CD2 4.46Å; L445-L499 HydrophobicContact CD2-CD2 3.92Å |
| 446 | W | 97.7 | Very high | 96 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 145 | -175.2 | -55.6 | 87.2 | 0 | 0 | 0 | 111.8 | L381 L409 H433 L434 S436 L444 V452 I453 | L381-W446 HydrophobicContact CD1-CD2 4.2Å; L381-W446 HydrophobicContact CD1-CZ2 3.69Å; L381-W446 HydrophobicContact CG-CZ2 4.44Å; L409-W446 HydrophobicContact CB-CE3 4.02Å; L409-W446 HydrophobicContact CB-CH2 3.89Å; L409-W446 HydrophobicContact CB-CZ3 3.57Å; L409-W446 HydrophobicContact CD1-CD2 4.06Å; L409-W446 HydrophobicContact CD1-CE3 3.82Å; L409-W446 HydrophobicContact CD1-CG 4.44Å; L409-W446 HydrophobicContact CD1-CZ3 4.27Å; L409-W446 HydrophobicContact CG-CE3 4.43Å; L409-W446 HydrophobicContact CG-CZ3 4.44Å; H433-W446 WeakPolarHBondContact CA-O 3.4Å; L434-W446 HydrophobicContact CB-CB 4.28Å; L434-W446 PolarHBondContact N-O 2.96Å; L434-W446 PolarHBondContact O-N 3.3Å; S436-W446 PolarHBondContact OG-NE1 2.93Å; L444-W446 HydrophobicContact CB-CZ2 4.09Å; L444-W446 HydrophobicContact CD1-CH2 4.16Å; L444-W446 HydrophobicContact CD1-CZ2 3.48Å; L444-W446 VanDerWaalsContact CD1-CZ2 3.48Å; L444-W446 HydrophobicContact CG-CZ2 4.43Å; W446-V452 WeakPolarHBondContact CA-O 3.1Å; W446-I453 HydrophobicContact CD2-CG1 4.16Å; W446-I453 HydrophobicContact CE3-CB 4.42Å; W446-I453 HydrophobicContact CE3-CG1 3.53Å; W446-I453 HydrophobicContact CH2-CD1 3.87Å; W446-I453 HydrophobicContact CH2-CG1 3.57Å; W446-I453 HydrophobicContact CZ2-CG1 4.17Å; W446-I453 HydrophobicContact CZ3-CB 4.46Å; W446-I453 HydrophobicContact CZ3-CD1 3.94Å; W446-I453 HydrophobicContact CZ3-CG1 3.19Å |
| 447 | D | 95.4 | Very high | 96 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 114.2 | 163.7 | 179.5 | 9.5 | 0 | 0 | 0 | 110.2 | A432 K449 S450 T451 V452 I454 | A432-D447 CarbonylContact O-C 3.54Å; D447-K449 PolarHBondContact O-N 3.21Å; D447-K449 WeakPolarHBondContact OD1-CB 3.31Å; D447-K449 PolarHBondContact OD1-N 3.37Å; D447-S450 WeakPolarHBondContact CB-OG 3.3Å; D447-S450 VanDerWaalsContact CG-OG 3.25Å; D447-S450 VanDerWaalsContact OD2-CB 3.28Å; D447-S450 WeakPolarHBondContact OD2-CB 3.26Å; D447-S450 PolarHBondContact OD2-N 2.86Å; D447-S450 PolarHBondContact OD2-OG 3Å; D447-T451 WeakPolarHBondContact O-CA 3.43Å; D447-T451 PolarHBondContact O-N 2.98Å; D447-V452 PolarHBondContact N-O 3.45Å; D447-I454 HydrophobicContact CB-CD1 3.89Å; D447-I454 HydrophobicContact CB-CG1 3.98Å |
| 448 | L | 90.7 | Very high | 95.9 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.4 | 177.3 | -68.3 | 176.1 | 0 | 0 | 0 | 113.5 | M366 I383 Y421 A432 L434 | M366-L448 HydrophobicContact SD-CD1 4Å; I383-L448 HydrophobicContact CD1-CD2 3.47Å; I383-L448 VanDerWaalsContact CD1-CD2 3.47Å; Y421-L448 HydrophobicContact CD2-CD1 4.25Å; Y421-L448 HydrophobicContact CE2-CD1 3.88Å; A432-L448 WeakPolarHBondContact O-CB 3.07Å; A432-L448 WeakPolarHBondContact O-CG 3.43Å; A432-L448 PolarHBondContact O-N 3.42Å; L434-L448 HydrophobicContact CB-CD1 4.25Å; L434-L448 HydrophobicContact CB-CD2 3.77Å; L434-L448 HydrophobicContact CB-CG 3.94Å; L434-L448 HydrophobicContact CD2-CD2 3.94Å; L434-L448 HydrophobicContact CG-CD2 4.45Å |
| 449 | K | 89.5 | Confident | 95.8 | Very high | 159 Ų | 159 | 49.9 Ų | 49.9 | 69% | 0.691 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -57.7 | 178.5 | -69.1 | 174.8 | -179.1 | 163.4 | 0 | 110.8 | R407 A432 D447 | R407-K449 PolarHBondContact NH1-O 2.82Å; A432-K449 HydrophobicContact CB-CD 4.11Å; A432-K449 HydrophobicContact CB-CG 4.2Å; D447-K449 PolarHBondContact O-N 3.21Å; D447-K449 WeakPolarHBondContact OD1-CB 3.31Å; D447-K449 PolarHBondContact OD1-N 3.37Å |
| 450 | S | 89.4 | Confident | 95.9 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 40% | 0.399 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -10.1 | -177.8 | 64.6 | 0 | 0 | 0 | 0 | 114.2 | D447 V452 | D447-S450 WeakPolarHBondContact CB-OG 3.3Å; D447-S450 VanDerWaalsContact CG-OG 3.25Å; D447-S450 VanDerWaalsContact OD2-CB 3.28Å; D447-S450 WeakPolarHBondContact OD2-CB 3.26Å; D447-S450 PolarHBondContact OD2-N 2.86Å; D447-S450 PolarHBondContact OD2-OG 3Å; S450-V452 VanDerWaalsContact C-N 3.29Å; S450-V452 PolarHBondContact O-N 3.31Å; S450-V452 WeakPolarHBondContact OG-CG2 3.35Å |
| 451 | T | 87.7 | Confident | 95.8 | Very high | 56 Ų | 56 | 48 Ų | 48 | 34% | 0.344 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 30.4 | 179 | 55.4 | 0 | 0 | 0 | 0 | 114.5 | L409 D447 | L409-T451 HydrophobicContact CD2-CG2 3.89Å; D447-T451 WeakPolarHBondContact O-CA 3.43Å; D447-T451 PolarHBondContact O-N 2.98Å |
| 452 | V | 93.8 | Very high | 95.7 | Very high | 77 Ų | 77 | 44 Ų | 44 | 47% | 0.467 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 158.3 | 178 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | W446 D447 S450 | W446-V452 WeakPolarHBondContact CA-O 3.1Å; D447-V452 PolarHBondContact N-O 3.45Å; S450-V452 VanDerWaalsContact C-N 3.29Å; S450-V452 PolarHBondContact O-N 3.31Å; S450-V452 WeakPolarHBondContact OG-CG2 3.35Å |
| 453 | I | 97 | Very high | 95.7 | Very high | 67 Ų | 67 | 45.4 Ų | 45.4 | 34% | 0.344 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 123.3 | 169.2 | -56.8 | 167.7 | 0 | 0 | 0 | 107.8 | L444 L445 W446 | L444-I453 HydrophobicContact CD1-CD1 4.23Å; L444-I453 HydrophobicContact CD2-CG2 4.36Å; L445-I453 CarbonylContact O-C 3.55Å; W446-I453 HydrophobicContact CD2-CG1 4.16Å; W446-I453 HydrophobicContact CE3-CB 4.42Å; W446-I453 HydrophobicContact CE3-CG1 3.53Å; W446-I453 HydrophobicContact CH2-CD1 3.87Å; W446-I453 HydrophobicContact CH2-CG1 3.57Å; W446-I453 HydrophobicContact CZ2-CG1 4.17Å; W446-I453 HydrophobicContact CZ3-CB 4.46Å; W446-I453 HydrophobicContact CZ3-CD1 3.94Å; W446-I453 HydrophobicContact CZ3-CG1 3.19Å |
| 454 | I | 97.2 | Very high | 95.7 | Very high | 65 Ų | 65 | 45.3 Ų | 45.3 | 33% | 0.333 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -46.4 | 171.5 | -61.5 | 169.2 | 0 | 0 | 0 | 109.5 | H433 L445 D447 | H433-I454 WeakPolarHBondContact NE2-CD1 3.46Å; L445-I454 HydrophobicContact CB-CB 4.45Å; L445-I454 HydrophobicContact CD2-CB 4.05Å; L445-I454 HydrophobicContact CD2-CD1 4.26Å; L445-I454 HydrophobicContact CD2-CG2 3.91Å; L445-I454 HydrophobicContact CG-CB 4Å; L445-I454 HydrophobicContact CG-CD1 4.04Å; L445-I454 HydrophobicContact CG-CG2 4.42Å; L445-I454 PolarHBondContact O-N 3.31Å; D447-I454 HydrophobicContact CB-CD1 3.89Å; D447-I454 HydrophobicContact CB-CG1 3.98Å |
| 455 | H | 98.1 | Very high | 95.5 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 151.8 | -175.9 | -164.8 | -96.6 | 0 | 0 | 0 | 112.3 | L445 F457 L499 | L445-H455 HydrophobicContact CB-CB 4.39Å; L445-H455 PolarHBondContact N-O 3.19Å; L445-H455 PolarHBondContact O-N 3.14Å; H455-F457 HydrophobicContact CB-CE2 4.44Å; H455-F457 AromaticContact CE1-CD1 3.75Å; H455-F457 AromaticContact CE1-CE1 3.69Å; H455-F457 AromaticContact ND1-CD1 3.66Å; H455-F457 AromaticContact ND1-CD2 3.68Å; H455-F457 AromaticContact ND1-CE1 3.5Å; H455-F457 WeakPolarHBondContact ND1-CE1 3.32Å; H455-F457 AromaticContact ND1-CE2 3.52Å; H455-F457 AromaticContact ND1-CG 3.76Å; H455-F457 AromaticContact ND1-CZ 3.43Å; H455-F457 WeakPolarHBondContact ND1-CZ 3.34Å; H455-L499 HydrophobicContact CB-CD1 4.46Å; H455-L499 HydrophobicContact CB-CD2 3.88Å |
| 456 | R | 97.9 | Very high | 95.3 | Very high | 78 Ų | 78 | 55.5 Ų | 55.5 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116.9 | 174.4 | 175.2 | 166.7 | -176.3 | 109.6 | 1 | 109.7 | G411 D440 S442 L444 C458 | G411-R456 PolarHBondContact O-NH1 3.01Å; D440-R456 IonicContact OD1-NH2 3.86Å; D440-R456 IonicContact OD2-CZ 3.29Å; D440-R456 VanDerWaalsContact OD2-CZ 3.29Å; D440-R456 IonicContact OD2-NH1 2.89Å; D440-R456 PolarHBondContact OD2-NH1 3.15Å; D440-R456 IonicContact OD2-NH2 2.75Å; D440-R456 PolarHBondContact OD2-NH2 3.41Å; S442-R456 PolarHBondContact OG-NH1 3.35Å; S442-R456 VanDerWaalsContact OG-NH1 3.12Å; S442-R456 PolarHBondContact OG-NH2 2.67Å; L444-R456 HydrophobicContact CD2-CB 3.43Å; L444-R456 VanDerWaalsContact CD2-CB 3.43Å; L444-R456 HydrophobicContact CD2-CG 3.39Å; R456-C458 PolarHBondContact NE-SG 3.48Å; R456-C458 VanDerWaalsContact NE-SG 3.38Å |
| 457 | F | 98.5 | Very high | 95.3 | Very high | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 120.1 | 173.6 | -61.8 | -84.3 | 0 | 0 | 0 | 109.6 | S442 V443 H455 L494 L496 | S442-F457 VanDerWaalsContact CA-O 3.27Å; S442-F457 WeakPolarHBondContact CA-O 3.2Å; V443-F457 HydrophobicContact CB-CB 4.26Å; V443-F457 PolarHBondContact N-O 2.92Å; V443-F457 PolarHBondContact O-N 3Å; H455-F457 HydrophobicContact CB-CE2 4.44Å; H455-F457 AromaticContact CE1-CD1 3.75Å; H455-F457 AromaticContact CE1-CE1 3.69Å; H455-F457 AromaticContact ND1-CD1 3.66Å; H455-F457 AromaticContact ND1-CD2 3.68Å; H455-F457 AromaticContact ND1-CE1 3.5Å; H455-F457 WeakPolarHBondContact ND1-CE1 3.32Å; H455-F457 AromaticContact ND1-CE2 3.52Å; H455-F457 AromaticContact ND1-CG 3.76Å; H455-F457 AromaticContact ND1-CZ 3.43Å; H455-F457 WeakPolarHBondContact ND1-CZ 3.34Å; F457-L494 HydrophobicContact CB-CD1 3.99Å; F457-L494 HydrophobicContact CB-CD2 4.32Å; F457-L494 HydrophobicContact CD1-CB 4.37Å; F457-L494 HydrophobicContact CD1-CD1 4.48Å; F457-L494 HydrophobicContact CD1-CD2 4.07Å; F457-L494 HydrophobicContact CD2-CD1 4.04Å; F457-L494 HydrophobicContact CE1-CB 4.29Å; F457-L494 HydrophobicContact CE2-CB 4.49Å; F457-L494 HydrophobicContact CG-CD1 3.93Å; F457-L494 HydrophobicContact CG-CD2 4.25Å; F457-L494 HydrophobicContact CG-CG 4.46Å; F457-L494 HydrophobicContact CZ-CB 4.35Å; F457-L496 HydrophobicContact CE2-CD2 4.27Å |
| 458 | C | 96.3 | Very high | 95.4 | Very high | 84 Ų | 84 | 57.1 Ų | 57.1 | 57% | 0.568 | 30% | 0.304 | S | S | * | . | trans | -123.5 | 75.2 | 175.4 | -68.3 | 0 | 0 | 0 | 0 | 108.9 | R456 | R456-C458 PolarHBondContact NE-SG 3.48Å; R456-C458 VanDerWaalsContact NE-SG 3.38Å | ||
| 459 | V | 96.4 | Very high | 95.5 | Very high | 47 Ų | 47 | 57 Ų | 57 | 29% | 0.285 | 31% | 0.305 | S | S | . | . | trans | -119.4 | -10.7 | -173.1 | -58.1 | 0 | 0 | 0 | 0 | 113.8 | A492 L494 L501 | V459-A492 HydrophobicContact CG2-CB 4.03Å; V459-L494 HydrophobicContact CG2-CD2 3.8Å; V459-L501 HydrophobicContact CB-CD1 4.41Å; V459-L501 HydrophobicContact CB-CD2 4.38Å; V459-L501 HydrophobicContact CG1-CB 4.47Å; V459-L501 HydrophobicContact CG1-CD1 4.49Å; V459-L501 HydrophobicContact CG1-CD2 4.31Å; V459-L501 HydrophobicContact CG2-CD1 4.05Å | ||
| 460 | Q | 97.7 | Very high | 95.8 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | trans | -115 | 162.2 | 178.6 | -61.7 | 175.4 | -79.9 | 0 | 0 | 109.2 | I464 S484 A486 S490 A492 L504 | Q460-I464 HydrophobicContact CB-CD1 4.38Å; Q460-S484 PolarHBondContact NE2-O 2.88Å; Q460-S484 PolarHBondContact OE1-OG 3.28Å; Q460-A486 HydrophobicContact CB-CB 4.06Å; Q460-A486 HydrophobicContact CG-CB 4.46Å; Q460-S490 VanDerWaalsContact CG-OG 3.28Å; Q460-S490 WeakPolarHBondContact CG-OG 3.39Å; Q460-S490 VanDerWaalsContact NE2-C 3.34Å; Q460-S490 PolarHBondContact NE2-O 2.75Å; Q460-S490 PolarHBondContact NE2-OG 3.28Å; Q460-A492 HydrophobicContact CG-CB 4.19Å; Q460-L504 HydrophobicContact CG-CD1 4Å | ||
| 461 | A | 96 | Very high | 95.8 | Very high | 73 Ų | 73 | 48.6 Ų | 48.6 | 60% | 0.603 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -120.4 | 26.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D488 | A461-D488 WeakPolarHBondContact CA-OD2 3.29Å; A461-D488 PolarHBondContact N-OD2 3.09Å |
| 462 | G | 97 | Very high | 95.8 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -149.2 | 164.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F441 I464 D488 | F441-G462 WeakPolarHBondContact CA-O 3.35Å; F441-G462 WeakPolarHBondContact CB-O 3.45Å; F441-G462 WeakPolarHBondContact CD1-O 3.03Å; G462-I464 PolarHBondContact O-N 3.36Å; G462-D488 PolarHBondContact N-OD2 3.2Å |
| 463 | P | 97.6 | Very high | 95.4 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 20% | 0.195 | 27% | 0.273 | C | S | . | . | trans | -48.5 | 138.2 | 175.9 | -31.8 | 34.8 | 0 | 0 | 0 | 113 | E439 F441 E465 A486 S487 | E439-P463 HydrophobicContact CG-CG 4.11Å; F441-P463 HydrophobicContact CD1-CG 4.2Å; F441-P463 VanDerWaalsContact CD1-N 3.26Å; F441-P463 HydrophobicContact CE1-CG 3.96Å; P463-E465 PolarHBondContact O-N 3.45Å; P463-A486 CarbonylContact O-C 3.57Å; P463-A486 WeakPolarHBondContact O-CA 3.44Å; P463-A486 WeakPolarHBondContact O-CB 3.39Å; P463-S487 WeakPolarHBondContact CD-OG 3.45Å; P463-S487 PolarHBondContact O-N 2.96Å; P463-S487 PolarHBondContact O-OG 2.97Å | ||
| 464 | I | 98.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 111.1 | -179.8 | -53.4 | -54.9 | 0 | 0 | 0 | 109.6 | T417 G438 S442 V443 Q460 G462 L467 V485 A486 | T417-I464 WeakPolarHBondContact CB-O 3.44Å; T417-I464 PolarHBondContact OG1-O 3.09Å; G438-I464 PolarHBondContact O-N 3.5Å; G438-I464 VanDerWaalsContact O-N 3.07Å; S442-I464 WeakPolarHBondContact O-CG1 3.38Å; V443-I464 HydrophobicContact CG2-CD1 4.14Å; V443-I464 HydrophobicContact CG2-CG1 3.93Å; V443-I464 HydrophobicContact CG2-CG2 4.08Å; Q460-I464 HydrophobicContact CB-CD1 4.38Å; G462-I464 PolarHBondContact O-N 3.36Å; I464-L467 HydrophobicContact CG2-CD2 4.28Å; I464-L467 HydrophobicContact CG2-CG 4.41Å; I464-V485 CarbonylContact C-O 3.56Å; I464-A486 HydrophobicContact CD1-CB 4.06Å |
| 465 | E | 94.3 | Very high | 94.7 | Very high | 102 Ų | 102 | 45.4 Ų | 45.4 | 48% | 0.477 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -34.8 | -175.2 | -61.1 | -57.8 | 149.4 | 0 | 0 | 112.8 | P463 V485 S487 | P463-E465 PolarHBondContact O-N 3.45Å; E465-V485 PolarHBondContact N-O 2.77Å; E465-S487 WeakPolarHBondContact OE1-CB 3.47Å; E465-S487 PolarHBondContact OE1-OG 2.96Å |
| 466 | R | 95.7 | Very high | 94.1 | Very high | 112 Ų | 112 | 48.4 Ų | 48.4 | 42% | 0.423 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 145 | -172.6 | -161.8 | 178 | -72 | 179.2 | -9.3 | 112.1 | D5 L468 S484 V485 | D5-R466 IonicContact OD2-NH2 3.63Å; R466-L468 HydrophobicContact CG-CD2 4.1Å; R466-L468 HydrophobicContact CG-CG 4.11Å; R466-S484 WeakPolarHBondContact O-CA 3.34Å; R466-V485 HydrophobicContact CB-CB 4.11Å; R466-V485 HydrophobicContact CB-CG2 4.3Å; R466-V485 PolarHBondContact N-O 2.87Å; R466-V485 PolarHBondContact O-N 3.27Å |
| 467 | L | 98 | Very high | 93.6 | Very high | 14 Ų | 14 | 50.4 Ų | 50.4 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.2 | 171.8 | -69.3 | 170.5 | 0 | 0 | 0 | 109.4 | L420 L435 V443 I464 C483 | L420-L467 HydrophobicContact CB-CB 3.73Å; L420-L467 HydrophobicContact CB-CD1 4.08Å; L420-L467 HydrophobicContact CD2-CB 3.85Å; L420-L467 HydrophobicContact CG-CB 4.4Å; L435-L467 HydrophobicContact CB-CD1 4.01Å; V443-L467 HydrophobicContact CG1-CD1 4.43Å; V443-L467 HydrophobicContact CG1-CD2 3.93Å; V443-L467 HydrophobicContact CG2-CD2 4Å; I464-L467 HydrophobicContact CG2-CD2 4.28Å; I464-L467 HydrophobicContact CG2-CG 4.41Å; L467-C483 CarbonylContact C-O 3.6Å; L467-C483 WeakPolarHBondContact CA-O 3.22Å |
| 468 | L | 95.8 | Very high | 93.3 | Very high | 56 Ų | 56 | 50 Ų | 50 | 29% | 0.293 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 154.5 | -175.4 | -60.3 | 171.3 | 0 | 0 | 0 | 111.2 | R466 C483 I515 | R466-L468 HydrophobicContact CG-CD2 4.1Å; R466-L468 HydrophobicContact CG-CG 4.11Å; L468-C483 HydrophobicContact CB-CB 4.17Å; L468-C483 PolarHBondContact N-O 3.46Å; L468-C483 PolarHBondContact O-N 3.48Å; L468-I515 HydrophobicContact CD1-CD1 4.21Å |
| 469 | V | 94.4 | Very high | 93 | Very high | 30 Ų | 30 | 48 Ų | 48 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 129.2 | 174.2 | 168.4 | 0 | 0 | 0 | 0 | 109.2 | L420 P422 E425 Y429 | L420-V469 HydrophobicContact CD1-CG2 4.29Å; L420-V469 HydrophobicContact CD2-CG2 3.98Å; P422-V469 HydrophobicContact CB-CG2 4.05Å; E425-V469 HydrophobicContact CB-CB 4.15Å; E425-V469 HydrophobicContact CB-CG1 4.44Å; E425-V469 HydrophobicContact CB-CG2 3.89Å; E425-V469 HydrophobicContact CG-CG2 4.18Å; Y429-V469 HydrophobicContact CE2-CB 4.47Å; Y429-V469 HydrophobicContact CE2-CG1 3.55Å; Y429-V469 HydrophobicContact CE2-CG2 4.04Å |
| 470 | P | 94.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.013 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -60 | 158.1 | 172.6 | -22.3 | 31.4 | 0 | 0 | 0 | 112.4 | R428 V478 S481 W517 | R428-P470 PolarHBondContact NH1-O 3.47Å; R428-P470 VanDerWaalsContact NH1-O 3.15Å; R428-P470 PolarHBondContact NH2-O 2.86Å; P470-V478 HydrophobicContact CB-CG1 4.33Å; P470-V478 HydrophobicContact CG-CG1 4.29Å; P470-S481 WeakPolarHBondContact CD-O 3.45Å; P470-S481 WeakPolarHBondContact CG-O 3.36Å; P470-W517 HydrophobicContact CB-CE3 4.32Å; P470-W517 HydrophobicContact CB-CH2 3.85Å; P470-W517 HydrophobicContact CB-CZ2 4.39Å; P470-W517 HydrophobicContact CB-CZ3 3.81Å; P470-W517 HydrophobicContact CG-CH2 3.79Å; P470-W517 HydrophobicContact CG-CZ2 4.5Å; P470-W517 HydrophobicContact CG-CZ3 4.09Å |
| 471 | P | 90.4 | Very high | 92.8 | Very high | 37 Ų | 37 | 47.7 Ų | 47.7 | 24% | 0.24 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -55 | 157.6 | 170.8 | -27.3 | 35.9 | 0 | 0 | 0 | 114 | D473 C474 W517 P519 | P471-D473 VanDerWaalsContact C-N 3.31Å; P471-D473 WeakPolarHBondContact CB-OD1 3.33Å; P471-D473 PolarHBondContact O-N 3.27Å; P471-C474 PolarHBondContact O-SG 2.99Å; P471-W517 HydrophobicContact CG-CB 3.5Å; P471-W517 HydrophobicContact CG-CD2 4.08Å; P471-W517 HydrophobicContact CG-CG 3.53Å; P471-P519 HydrophobicContact CB-CG 4.01Å; P471-P519 HydrophobicContact CG-CG 4.1Å |
| 472 | S | 86.4 | Confident | 92.9 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 59% | 0.587 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -11.9 | -177.7 | 50.6 | 0 | 0 | 0 | 0 | 114.9 | L479 | S472-L479 WeakPolarHBondContact O-CD2 3.31Š|
| 473 | D | 86.8 | Confident | 93 | Very high | 70 Ų | 70 | 44 Ų | 44 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 5 | 177 | 60.3 | -41.1 | 0 | 0 | 0 | 112.8 | P471 P519 | P471-D473 VanDerWaalsContact C-N 3.31Å; P471-D473 WeakPolarHBondContact CB-OD1 3.33Å; P471-D473 PolarHBondContact O-N 3.27Å; D473-P519 WeakPolarHBondContact OD2-CG 3.13Å |
| 474 | C | 90.3 | Very high | 93 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 5% | 0.054 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -60.3 | 159.5 | 169.9 | -70.9 | 0 | 0 | 0 | 0 | 112.9 | P471 V478 L479 | P471-C474 PolarHBondContact O-SG 2.99Å; C474-V478 HydrophobicContact CB-CB 4.15Å; C474-V478 HydrophobicContact CB-CG1 4.16Å; C474-L479 HydrophobicContact CB-CD2 4.05Å; C474-L479 HydrophobicContact CB-CG 4.45Å; C474-L479 WeakPolarHBondContact O-CD1 3.25Å; C474-L479 VanDerWaalsContact O-CD2 3.22Å; C474-L479 WeakPolarHBondContact O-CD2 3.48Å; C474-L479 WeakPolarHBondContact O-CG 3.43Å |
| 475 | S | 88.7 | Confident | 93 | Very high | 37 Ų | 37 | 43.2 Ų | 43.2 | 26% | 0.259 | 23% | 0.229 | S | C | . | . | trans | -66.3 | 156.6 | 176 | 85 | 0 | 0 | 0 | 0 | 111.8 | K477 V478 L479 E539 | S475-K477 PolarHBondContact O-N 3.22Å; S475-V478 PolarHBondContact O-N 3.42Å; S475-L479 WeakPolarHBondContact O-CG 3.26Å; S475-L479 PolarHBondContact O-N 2.92Å; S475-E539 WeakPolarHBondContact CB-OE1 3.39Å; S475-E539 PolarHBondContact OG-OE1 3.43Å | ||
| 476 | T | 86.3 | Confident | 93.2 | Very high | 122 Ų | 122 | 38.5 Ų | 38.5 | 75% | 0.748 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -22.8 | -178.6 | 57.4 | 0 | 0 | 0 | 0 | 114.8 | L479 | T476-L479 HydrophobicContact CG2-CD1 4.28Š|
| 477 | K | 87.1 | Confident | 93.2 | Very high | 119 Ų | 119 | 35.4 Ų | 35.4 | 52% | 0.517 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -27.4 | 174.9 | -63.5 | -178 | -169.1 | 158.6 | 0 | 113.1 | S475 N495 E539 | S475-K477 PolarHBondContact O-N 3.22Å; K477-N495 PolarHBondContact O-ND2 3.42Å; K477-E539 HydrophobicContact CD-CG 4.12Å; K477-E539 IonicContact NZ-OE2 3.21Å; K477-E539 PolarHBondContact NZ-OE2 3.39Å |
| 478 | V | 90.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -23.6 | -175.6 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | P470 C474 S475 Q480 S481 L493 M538 | P470-V478 HydrophobicContact CB-CG1 4.33Å; P470-V478 HydrophobicContact CG-CG1 4.29Å; C474-V478 HydrophobicContact CB-CB 4.15Å; C474-V478 HydrophobicContact CB-CG1 4.16Å; S475-V478 PolarHBondContact O-N 3.42Å; V478-Q480 PolarHBondContact O-N 3.02Å; V478-Q480 VanDerWaalsContact O-N 3.08Å; V478-S481 WeakPolarHBondContact O-CA 3.33Å; V478-S481 WeakPolarHBondContact O-CB 3.49Å; V478-S481 PolarHBondContact O-N 3.04Å; V478-S481 PolarHBondContact O-OG 3.24Å; V478-L493 HydrophobicContact CG1-CD1 4.19Å; V478-M538 HydrophobicContact CG1-SD 4.45Å; V478-M538 HydrophobicContact CG2-CB 4.13Å |
| 479 | L | 91 | Very high | 93.2 | Very high | 42 Ų | 42 | 37.1 Ų | 37.1 | 22% | 0.22 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -34.7 | -175.5 | -79.5 | 174.8 | 0 | 0 | 0 | 115 | R428 Y429 S472 C474 S475 T476 S481 | R428-L479 PolarHBondContact NE-O 2.9Å; R428-L479 PolarHBondContact NH2-O 2.73Å; Y429-L479 PolarHBondContact OH-O 3.34Å; S472-L479 WeakPolarHBondContact O-CD2 3.31Å; C474-L479 HydrophobicContact CB-CD2 4.05Å; C474-L479 HydrophobicContact CB-CG 4.45Å; C474-L479 WeakPolarHBondContact O-CD1 3.25Å; C474-L479 VanDerWaalsContact O-CD2 3.22Å; C474-L479 WeakPolarHBondContact O-CD2 3.48Å; C474-L479 WeakPolarHBondContact O-CG 3.43Å; S475-L479 WeakPolarHBondContact O-CG 3.26Å; S475-L479 PolarHBondContact O-N 2.92Å; T476-L479 HydrophobicContact CG2-CD1 4.28Å; L479-S481 VanDerWaalsContact C-N 3.34Å |
| 480 | Q | 94.4 | Very high | 93.4 | Very high | 57 Ų | 57 | 35.8 Ų | 35.8 | 27% | 0.266 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 11.4 | 180 | -69 | -67.5 | -31.2 | 0 | 0 | 112.9 | R428 V478 L496 K497 | R428-Q480 PolarHBondContact O-NE2 3.37Å; V478-Q480 PolarHBondContact O-N 3.02Å; V478-Q480 VanDerWaalsContact O-N 3.08Å; Q480-L496 PolarHBondContact O-N 3.32Å; Q480-K497 HydrophobicContact CB-CB 4.07Å; Q480-K497 HydrophobicContact CG-CB 4.42Å; Q480-K497 HydrophobicContact CG-CD 4.46Å |
| 481 | S | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 160.3 | 178.3 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | Y429 P470 V478 L479 L494 N495 | Y429-S481 PolarHBondContact OH-O 2.99Å; P470-S481 WeakPolarHBondContact CD-O 3.45Å; P470-S481 WeakPolarHBondContact CG-O 3.36Å; V478-S481 WeakPolarHBondContact O-CA 3.33Å; V478-S481 WeakPolarHBondContact O-CB 3.49Å; V478-S481 PolarHBondContact O-N 3.04Å; V478-S481 PolarHBondContact O-OG 3.24Å; L479-S481 VanDerWaalsContact C-N 3.34Å; S481-L494 CarbonylContact C-O 3.49Å; S481-L494 WeakPolarHBondContact CA-O 3.49Å; S481-L494 WeakPolarHBondContact CB-O 3.29Å; S481-N495 WeakPolarHBondContact OG-CA 3.15Å |
| 482 | V | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 153.8 | 166.4 | -67.2 | 0 | 0 | 0 | 0 | 109.3 | L420 P422 Y429 L435 L493 L494 L496 | L420-V482 HydrophobicContact CD2-CB 4.48Å; L420-V482 HydrophobicContact CD2-CG1 4.18Å; P422-V482 HydrophobicContact CB-CG1 4.5Å; Y429-V482 HydrophobicContact CE1-CG1 4.17Å; L435-V482 HydrophobicContact CD1-CB 4.08Å; L435-V482 HydrophobicContact CD1-CG1 3.69Å; L435-V482 HydrophobicContact CD1-CG2 3.72Å; V482-L493 CarbonylContact O-C 3.58Å; V482-L493 WeakPolarHBondContact O-CA 3.46Å; V482-L494 HydrophobicContact CG2-CB 4.05Å; V482-L494 PolarHBondContact N-O 3.34Å; V482-L494 PolarHBondContact O-N 2.94Å; V482-L496 HydrophobicContact CG1-CD1 3.74Å; V482-L496 HydrophobicContact CG1-CG 4.16Å; V482-L496 HydrophobicContact CG2-CD1 4.46Å; V482-L496 HydrophobicContact CG2-CD2 3.74Å; V482-L496 HydrophobicContact CG2-CG 4.16Å |
| 483 | C | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.2 | -179.5 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | L467 L468 V491 A492 L493 W517 | L467-C483 CarbonylContact C-O 3.6Å; L467-C483 WeakPolarHBondContact CA-O 3.22Å; L468-C483 HydrophobicContact CB-CB 4.17Å; L468-C483 PolarHBondContact N-O 3.46Å; L468-C483 PolarHBondContact O-N 3.48Å; C483-V491 WeakPolarHBondContact SG-CG1 3.37Å; C483-A492 CarbonylContact C-O 3.43Å; C483-A492 VanDerWaalsContact CA-O 3.23Å; C483-A492 WeakPolarHBondContact CA-O 3.4Å; C483-L493 HydrophobicContact CB-CD2 3.71Å; C483-W517 HydrophobicContact CB-CH2 3.8Å; C483-W517 HydrophobicContact CB-CZ2 4Å |
| 484 | S | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135.8 | 173.9 | 60.1 | 0 | 0 | 0 | 0 | 110.9 | Q460 R466 V491 A492 | Q460-S484 PolarHBondContact NE2-O 2.88Å; Q460-S484 PolarHBondContact OE1-OG 3.28Å; R466-S484 WeakPolarHBondContact O-CA 3.34Å; S484-V491 CarbonylContact O-C 3.56Å; S484-V491 VanDerWaalsContact O-CA 3.29Å; S484-V491 WeakPolarHBondContact O-CA 3.43Å; S484-A492 PolarHBondContact N-O 3.04Å; S484-A492 PolarHBondContact O-N 3.05Å |
| 485 | V | 98.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 26.4 Ų | 26.4 | 9% | 0.085 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 131.1 | 177.1 | -171.6 | 0 | 0 | 0 | 0 | 107.9 | I464 E465 R466 V491 V512 I515 | I464-V485 CarbonylContact C-O 3.56Å; E465-V485 PolarHBondContact N-O 2.77Å; R466-V485 HydrophobicContact CB-CB 4.11Å; R466-V485 HydrophobicContact CB-CG2 4.3Å; R466-V485 PolarHBondContact N-O 2.87Å; R466-V485 PolarHBondContact O-N 3.27Å; V485-V491 HydrophobicContact CG1-CG2 4.36Å; V485-V491 HydrophobicContact CG2-CG2 4.36Å; V485-V512 HydrophobicContact CG1-CB 3.92Å; V485-V512 HydrophobicContact CG1-CG1 4.17Å; V485-V512 HydrophobicContact CG1-CG2 4.27Å; V485-I515 HydrophobicContact CG2-CD1 3.38Å |
| 486 | A | 98.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.033 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 159.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q460 P463 I464 D488 H489 S490 | Q460-A486 HydrophobicContact CB-CB 4.06Å; Q460-A486 HydrophobicContact CG-CB 4.46Å; P463-A486 CarbonylContact O-C 3.57Å; P463-A486 WeakPolarHBondContact O-CA 3.44Å; P463-A486 WeakPolarHBondContact O-CB 3.39Å; I464-A486 HydrophobicContact CD1-CB 4.06Å; A486-D488 WeakPolarHBondContact CB-OD1 3.44Å; A486-D488 PolarHBondContact O-N 3.28Å; A486-H489 PolarHBondContact O-N 3.47Å; A486-S490 PolarHBondContact N-O 3.22Å; A486-S490 VanDerWaalsContact N-O 3.07Å |
| 487 | S | 95.9 | Very high | 96.1 | Very high | 47 Ų | 47 | 26.8 Ų | 26.8 | 33% | 0.329 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -11.6 | -179.7 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | P463 E465 H489 | P463-S487 WeakPolarHBondContact CD-OG 3.45Å; P463-S487 PolarHBondContact O-N 2.96Å; P463-S487 PolarHBondContact O-OG 2.97Å; E465-S487 WeakPolarHBondContact OE1-CB 3.47Å; E465-S487 PolarHBondContact OE1-OG 2.96Å; S487-H489 PolarHBondContact O-CE1 3.03Å; S487-H489 VanDerWaalsContact O-CE1 3.26Å; S487-H489 PolarHBondContact O-N 3.25Å; S487-H489 PolarHBondContact O-ND1 3.21Å |
| 488 | D | 96.7 | Very high | 96.4 | Very high | 57 Ų | 57 | 24.8 Ų | 24.8 | 31% | 0.305 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 8.5 | 164.5 | 72.3 | -8.7 | 0 | 0 | 0 | 113.2 | A461 G462 A486 S490 | A461-D488 WeakPolarHBondContact CA-OD2 3.29Å; A461-D488 PolarHBondContact N-OD2 3.09Å; G462-D488 PolarHBondContact N-OD2 3.2Å; A486-D488 WeakPolarHBondContact CB-OD1 3.44Å; A486-D488 PolarHBondContact O-N 3.28Å; D488-S490 VanDerWaalsContact CG-OG 3.28Å; D488-S490 PolarHBondContact O-N 2.93Å; D488-S490 VanDerWaalsContact OD1-CB 3.25Å; D488-S490 WeakPolarHBondContact OD1-CB 3.42Å; D488-S490 PolarHBondContact OD1-N 3.18Å; D488-S490 PolarHBondContact OD1-OG 2.74Å; D488-S490 PolarHBondContact OD2-OG 3.24Å |
| 489 | H | 97.4 | Very high | 96.7 | Very high | 49 Ų | 49 | 27.8 Ų | 27.8 | 23% | 0.227 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 70.6 | 6.2 | 179.1 | -44 | -16.6 | 0 | 0 | 0 | 113.8 | A486 S487 H508 P511 V512 | A486-H489 PolarHBondContact O-N 3.47Å; S487-H489 PolarHBondContact O-CE1 3.03Å; S487-H489 VanDerWaalsContact O-CE1 3.26Å; S487-H489 PolarHBondContact O-N 3.25Å; S487-H489 PolarHBondContact O-ND1 3.21Å; H489-H508 HydrophobicContact CB-CB 4.1Å; H489-H508 PolarHBondContact O-ND1 3.44Å; H489-P511 VanDerWaalsContact CE1-CG 3.43Å; H489-P511 WeakPolarHBondContact CE1-CG 3.12Å; H489-P511 WeakPolarHBondContact ND1-CA 3.39Å; H489-P511 WeakPolarHBondContact NE2-CD 3.45Å; H489-V512 WeakPolarHBondContact O-CG2 3.48Å |
| 490 | S | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | trans | -81.9 | 153.8 | 177.1 | 72.3 | 0 | 0 | 0 | 0 | 112.2 | Q460 A486 D488 A505 | Q460-S490 VanDerWaalsContact CG-OG 3.28Å; Q460-S490 WeakPolarHBondContact CG-OG 3.39Å; Q460-S490 VanDerWaalsContact NE2-C 3.34Å; Q460-S490 PolarHBondContact NE2-O 2.75Å; Q460-S490 PolarHBondContact NE2-OG 3.28Å; A486-S490 PolarHBondContact N-O 3.22Å; A486-S490 VanDerWaalsContact N-O 3.07Å; D488-S490 VanDerWaalsContact CG-OG 3.28Å; D488-S490 PolarHBondContact O-N 2.93Å; D488-S490 VanDerWaalsContact OD1-CB 3.25Å; D488-S490 WeakPolarHBondContact OD1-CB 3.42Å; D488-S490 PolarHBondContact OD1-N 3.18Å; D488-S490 PolarHBondContact OD1-OG 2.74Å; D488-S490 PolarHBondContact OD2-OG 3.24Å; S490-A505 CarbonylContact C-O 3.55Å; S490-A505 VanDerWaalsContact CA-O 3.31Å; S490-A505 WeakPolarHBondContact CA-O 3.49Å | ||
| 491 | V | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 132 | 172.5 | 180 | 0 | 0 | 0 | 0 | 108.7 | C483 S484 V485 A505 V512 I515 I524 I526 | C483-V491 WeakPolarHBondContact SG-CG1 3.37Å; S484-V491 CarbonylContact O-C 3.56Å; S484-V491 VanDerWaalsContact O-CA 3.29Å; S484-V491 WeakPolarHBondContact O-CA 3.43Å; V485-V491 HydrophobicContact CG1-CG2 4.36Å; V485-V491 HydrophobicContact CG2-CG2 4.36Å; V491-A505 HydrophobicContact CB-CB 4.31Å; V491-A505 PolarHBondContact N-O 3.29Å; V491-A505 WeakPolarHBondContact O-CB 3.2Å; V491-A505 PolarHBondContact O-N 3.4Å; V491-V512 HydrophobicContact CG2-CG1 4.37Å; V491-V512 HydrophobicContact CG2-CG2 3.82Å; V491-I515 HydrophobicContact CG1-CD1 3.84Å; V491-I515 HydrophobicContact CG2-CD1 4.03Å; V491-I524 HydrophobicContact CG1-CD1 4.47Å; V491-I526 HydrophobicContact CB-CD1 3.77Å; V491-I526 HydrophobicContact CG1-CD1 4.21Å; V491-I526 HydrophobicContact CG2-CD1 3.74Å; V491-I526 HydrophobicContact CG2-CG1 4.39Å; V491-I526 HydrophobicContact CG2-CG2 4.27Å |
| 492 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 143.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V459 Q460 C483 S484 L494 L501 L503 L504 | V459-A492 HydrophobicContact CG2-CB 4.03Å; Q460-A492 HydrophobicContact CG-CB 4.19Å; C483-A492 CarbonylContact C-O 3.43Å; C483-A492 VanDerWaalsContact CA-O 3.23Å; C483-A492 WeakPolarHBondContact CA-O 3.4Å; S484-A492 PolarHBondContact N-O 3.04Å; S484-A492 PolarHBondContact O-N 3.05Å; A492-L494 HydrophobicContact CB-CD2 4.07Å; A492-L501 HydrophobicContact CB-CD1 3.98Å; A492-L503 CarbonylContact C-O 3.53Å; A492-L503 WeakPolarHBondContact CA-O 3.43Å; A492-L504 HydrophobicContact CB-CD1 4.07Å |
| 493 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 116.5 | 168.4 | -62.3 | 179 | 0 | 0 | 0 | 109.4 | V478 V482 C483 C502 L503 W517 I524 M538 | V478-L493 HydrophobicContact CG1-CD1 4.19Å; V482-L493 CarbonylContact O-C 3.58Å; V482-L493 WeakPolarHBondContact O-CA 3.46Å; C483-L493 HydrophobicContact CB-CD2 3.71Å; L493-C502 HydrophobicContact CB-CB 4.08Å; L493-C502 PolarHBondContact O-N 3.14Å; L493-L503 HydrophobicContact CB-CB 4.02Å; L493-L503 HydrophobicContact CD1-CB 3.96Å; L493-L503 HydrophobicContact CD1-CD2 3.82Å; L493-L503 HydrophobicContact CG-CB 4.03Å; L493-L503 HydrophobicContact CG-CD2 4.07Å; L493-L503 PolarHBondContact N-O 2.91Å; L493-L503 PolarHBondContact O-N 3.47Å; L493-W517 HydrophobicContact CD2-CH2 3.7Å; L493-W517 HydrophobicContact CD2-CZ3 3.99Å; L493-I524 HydrophobicContact CD2-CD1 4.48Å; L493-M538 HydrophobicContact CD1-CB 4.05Å; L493-M538 HydrophobicContact CD1-CG 4.17Å |
| 494 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 113.4 | -174 | -49.4 | 177.1 | 0 | 0 | 0 | 109.8 | V443 F457 V459 S481 V482 A492 L496 L501 | V443-L494 HydrophobicContact CB-CD1 3.85Å; V443-L494 HydrophobicContact CG1-CD1 4.01Å; V443-L494 HydrophobicContact CG2-CD1 3.92Å; F457-L494 HydrophobicContact CB-CD1 3.99Å; F457-L494 HydrophobicContact CB-CD2 4.32Å; F457-L494 HydrophobicContact CD1-CB 4.37Å; F457-L494 HydrophobicContact CD1-CD1 4.48Å; F457-L494 HydrophobicContact CD1-CD2 4.07Å; F457-L494 HydrophobicContact CD2-CD1 4.04Å; F457-L494 HydrophobicContact CE1-CB 4.29Å; F457-L494 HydrophobicContact CE2-CB 4.49Å; F457-L494 HydrophobicContact CG-CD1 3.93Å; F457-L494 HydrophobicContact CG-CD2 4.25Å; F457-L494 HydrophobicContact CG-CG 4.46Å; F457-L494 HydrophobicContact CZ-CB 4.35Å; V459-L494 HydrophobicContact CG2-CD2 3.8Å; S481-L494 CarbonylContact C-O 3.49Å; S481-L494 WeakPolarHBondContact CA-O 3.49Å; S481-L494 WeakPolarHBondContact CB-O 3.29Å; V482-L494 HydrophobicContact CG2-CB 4.05Å; V482-L494 PolarHBondContact N-O 3.34Å; V482-L494 PolarHBondContact O-N 2.94Å; A492-L494 HydrophobicContact CB-CD2 4.07Å; L494-L496 PolarHBondContact O-N 2.98Å; L494-L501 HydrophobicContact CD2-CD1 3.86Å |
| 495 | N | 96.1 | Very high | 96.5 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 113.8 | 178 | -167.6 | -54.1 | 0 | 0 | 0 | 110.5 | K477 S481 K497 D498 L499 R500 | K477-N495 PolarHBondContact O-ND2 3.42Å; S481-N495 WeakPolarHBondContact OG-CA 3.15Å; N495-K497 VanDerWaalsContact C-N 3.32Å; N495-K497 PolarHBondContact O-N 3.18Å; N495-K497 PolarHBondContact OD1-N 3.14Å; N495-D498 HydrophobicContact CB-CB 4.24Å; N495-D498 PolarHBondContact OD1-N 3.49Å; N495-L499 VanDerWaalsContact O-CA 3.24Å; N495-L499 WeakPolarHBondContact O-CA 3.35Å; N495-L499 PolarHBondContact O-N 3.37Å; N495-R500 HydrophobicContact CB-CG 4.41Å; N495-R500 WeakPolarHBondContact CB-O 3.24Å; N495-R500 PolarHBondContact N-O 2.77Å; N495-R500 PolarHBondContact O-N 3.47Å |
| 496 | L | 96.9 | Very high | 96.4 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -20.2 | -176 | -58.4 | -173.2 | 0 | 0 | 0 | 113.4 | P422 Y429 L435 L445 F457 Q480 V482 L494 L499 | P422-L496 HydrophobicContact CG-CD1 4.43Å; Y429-L496 HydrophobicContact CD1-CD1 3.91Å; Y429-L496 HydrophobicContact CE1-CD1 4Å; L435-L496 HydrophobicContact CD1-CD1 4.01Å; L435-L496 HydrophobicContact CD1-CD2 4.27Å; L435-L496 HydrophobicContact CD2-CD2 3.95Å; L445-L496 HydrophobicContact CD1-CD2 4.44Å; L445-L496 HydrophobicContact CD2-CD2 4.46Å; F457-L496 HydrophobicContact CE2-CD2 4.27Å; Q480-L496 PolarHBondContact O-N 3.32Å; V482-L496 HydrophobicContact CG1-CD1 3.74Å; V482-L496 HydrophobicContact CG1-CG 4.16Å; V482-L496 HydrophobicContact CG2-CD1 4.46Å; V482-L496 HydrophobicContact CG2-CD2 3.74Å; V482-L496 HydrophobicContact CG2-CG 4.16Å; L494-L496 PolarHBondContact O-N 2.98Å; L496-L499 VanDerWaalsContact O-CD2 3.27Å; L496-L499 WeakPolarHBondContact O-CD2 3.39Å |
| 497 | K | 94.2 | Very high | 96.2 | Very high | 158 Ų | 158 | 47.1 Ų | 47.1 | 69% | 0.687 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -47.7 | 179.8 | -177 | -178.9 | 178 | -176.5 | 0 | 111.4 | Q480 N495 L499 | Q480-K497 HydrophobicContact CB-CB 4.07Å; Q480-K497 HydrophobicContact CG-CB 4.42Å; Q480-K497 HydrophobicContact CG-CD 4.46Å; N495-K497 VanDerWaalsContact C-N 3.32Å; N495-K497 PolarHBondContact O-N 3.18Å; N495-K497 PolarHBondContact OD1-N 3.14Å; K497-L499 VanDerWaalsContact C-N 3.27Å |
| 498 | D | 94.3 | Very high | 96.2 | Very high | 77 Ų | 77 | 45.4 Ų | 45.4 | 41% | 0.412 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -8.2 | 179.4 | -67.1 | -5.7 | 0 | 0 | 0 | 112.2 | N495 R500 | N495-D498 HydrophobicContact CB-CB 4.24Å; N495-D498 PolarHBondContact OD1-N 3.49Å; D498-R500 VanDerWaalsContact C-N 3.26Å; D498-R500 HydrophobicContact CB-CG 3.76Å; D498-R500 PolarHBondContact O-N 3.24Å; D498-R500 IonicContact OD2-CZ 3.37Å; D498-R500 IonicContact OD2-NE 3.1Å; D498-R500 PolarHBondContact OD2-NE 3.23Å; D498-R500 VanDerWaalsContact OD2-NE 3.1Å; D498-R500 IonicContact OD2-NH2 2.82Å; D498-R500 PolarHBondContact OD2-NH2 2.93Å |
| 499 | L | 97.2 | Very high | 96.1 | Very high | 64 Ų | 64 | 49 Ų | 49 | 34% | 0.335 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 40.5 | -176.5 | -56.8 | 179.1 | 0 | 0 | 0 | 113.2 | L445 H455 N495 L496 K497 | L445-L499 HydrophobicContact CD2-CD2 3.92Å; H455-L499 HydrophobicContact CB-CD1 4.46Å; H455-L499 HydrophobicContact CB-CD2 3.88Å; N495-L499 VanDerWaalsContact O-CA 3.24Å; N495-L499 WeakPolarHBondContact O-CA 3.35Å; N495-L499 PolarHBondContact O-N 3.37Å; L496-L499 VanDerWaalsContact O-CD2 3.27Å; L496-L499 WeakPolarHBondContact O-CD2 3.39Å; K497-L499 VanDerWaalsContact C-N 3.27Å |
| 500 | R | 94.8 | Very high | 96 | Very high | 148 Ų | 148 | 51 Ų | 51 | 56% | 0.558 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 159.5 | -177.7 | 69.9 | -179.2 | 169.8 | 162.4 | -4.1 | 113 | N495 D498 | N495-R500 HydrophobicContact CB-CG 4.41Å; N495-R500 WeakPolarHBondContact CB-O 3.24Å; N495-R500 PolarHBondContact N-O 2.77Å; N495-R500 PolarHBondContact O-N 3.47Å; D498-R500 VanDerWaalsContact C-N 3.26Å; D498-R500 HydrophobicContact CB-CG 3.76Å; D498-R500 PolarHBondContact O-N 3.24Å; D498-R500 IonicContact OD2-CZ 3.37Å; D498-R500 IonicContact OD2-NE 3.1Å; D498-R500 PolarHBondContact OD2-NE 3.23Å; D498-R500 VanDerWaalsContact OD2-NE 3.1Å; D498-R500 IonicContact OD2-NH2 2.82Å; D498-R500 PolarHBondContact OD2-NH2 2.93Å |
| 501 | L | 95.7 | Very high | 95.9 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 130.6 | 170.7 | -179.7 | 67.7 | 0 | 0 | 0 | 110.8 | V459 A492 L494 L503 L504 | V459-L501 HydrophobicContact CB-CD1 4.41Å; V459-L501 HydrophobicContact CB-CD2 4.38Å; V459-L501 HydrophobicContact CG1-CB 4.47Å; V459-L501 HydrophobicContact CG1-CD1 4.49Å; V459-L501 HydrophobicContact CG1-CD2 4.31Å; V459-L501 HydrophobicContact CG2-CD1 4.05Å; A492-L501 HydrophobicContact CB-CD1 3.98Å; L494-L501 HydrophobicContact CD2-CD1 3.86Å; L501-L503 WeakPolarHBondContact CD1-O 3.4Å; L501-L504 HydrophobicContact CD1-CB 4.3Å; L501-L504 HydrophobicContact CD2-CB 3.9Å |
| 502 | C | 91.9 | Very high | 95.7 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -44.3 | 170.6 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | L493 | L493-C502 HydrophobicContact CB-CB 4.08Å; L493-C502 PolarHBondContact O-N 3.14Å |
| 503 | L | 95.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 138.1 | -178 | 164 | 69.4 | 0 | 0 | 0 | 109 | A492 L493 L501 A505 I524 W536 | A492-L503 CarbonylContact C-O 3.53Å; A492-L503 WeakPolarHBondContact CA-O 3.43Å; L493-L503 HydrophobicContact CB-CB 4.02Å; L493-L503 HydrophobicContact CD1-CB 3.96Å; L493-L503 HydrophobicContact CD1-CD2 3.82Å; L493-L503 HydrophobicContact CG-CB 4.03Å; L493-L503 HydrophobicContact CG-CD2 4.07Å; L493-L503 PolarHBondContact N-O 2.91Å; L493-L503 PolarHBondContact O-N 3.47Å; L501-L503 WeakPolarHBondContact CD1-O 3.4Å; L503-A505 HydrophobicContact CD1-CB 4.32Å; L503-A505 HydrophobicContact CD2-CB 4.47Å; L503-A505 HydrophobicContact CG-CB 4.4Å; L503-I524 HydrophobicContact CD2-CG2 3.72Å; L503-W536 HydrophobicContact CD1-CE3 3.91Å; L503-W536 HydrophobicContact CD2-CB 4.4Å |
| 504 | L | 96.9 | Very high | 95.1 | Very high | 61 Ų | 61 | 63 Ų | 63 | 32% | 0.319 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 103.5 | 163.8 | 176.7 | 65.7 | 0 | 0 | 0 | 109.1 | Q460 A492 L501 | Q460-L504 HydrophobicContact CG-CD1 4Å; A492-L504 HydrophobicContact CB-CD1 4.07Å; L501-L504 HydrophobicContact CD1-CB 4.3Å; L501-L504 HydrophobicContact CD2-CB 3.9Å |
| 505 | A | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 93.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S490 V491 L503 H508 I526 W536 | S490-A505 CarbonylContact C-O 3.55Å; S490-A505 VanDerWaalsContact CA-O 3.31Å; S490-A505 WeakPolarHBondContact CA-O 3.49Å; V491-A505 HydrophobicContact CB-CB 4.31Å; V491-A505 PolarHBondContact N-O 3.29Å; V491-A505 WeakPolarHBondContact O-CB 3.2Å; V491-A505 PolarHBondContact O-N 3.4Å; L503-A505 HydrophobicContact CD1-CB 4.32Å; L503-A505 HydrophobicContact CD2-CB 4.47Å; L503-A505 HydrophobicContact CG-CB 4.4Å; A505-H508 PolarHBondContact O-CE1 3.37Å; A505-H508 PolarHBondContact O-ND1 3.02Å; A505-I526 HydrophobicContact CB-CD1 3.8Å; A505-W536 HydrophobicContact CB-CD2 3.59Å; A505-W536 VanDerWaalsContact CB-CE2 3.42Å; A505-W536 HydrophobicContact CB-CE3 4.07Å; A505-W536 HydrophobicContact CB-CG 3.94Å; A505-W536 HydrophobicContact CB-CH2 4.24Å; A505-W536 HydrophobicContact CB-CZ2 3.79Å; A505-W536 HydrophobicContact CB-CZ3 4.37Å |
| 506 | S | 94.3 | Very high | 94.9 | Very high | 70 Ų | 70 | 65.3 Ų | 65.3 | 49% | 0.49 | 32% | 0.324 | S | S | . | . | trans | -120.3 | 11.8 | -170.3 | 59 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 507 | K | 94.1 | Very high | 94.6 | Very high | 135 Ų | 135 | 66.1 Ų | 66.1 | 59% | 0.587 | 33% | 0.327 | S | S | * | . | trans | -90.1 | 8 | -177.4 | -66.5 | -177.7 | 175.3 | -177.3 | 0 | 114.5 | W536 L543 | K507-W536 HydrophobicContact CB-CH2 4.27Å; K507-W536 HydrophobicContact CB-CZ2 4.01Å; K507-W536 HydrophobicContact CD-CH2 4.12Å; K507-W536 HydrophobicContact CG-CH2 4.05Å; K507-W536 HydrophobicContact CG-CZ2 4.3Å; K507-L543 HydrophobicContact CB-CD2 4.38Å; K507-L543 HydrophobicContact CD-CD2 3.79Å | ||
| 508 | H | 95.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 60.9 Ų | 60.9 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | trans | -75.8 | 129.3 | -175.9 | -47.8 | 122.7 | 0 | 0 | 0 | 111.2 | H489 A505 I526 Y534 W536 | H489-H508 HydrophobicContact CB-CB 4.1Å; H489-H508 PolarHBondContact O-ND1 3.44Å; A505-H508 PolarHBondContact O-CE1 3.37Å; A505-H508 PolarHBondContact O-ND1 3.02Å; H508-I526 WeakPolarHBondContact CE1-CD1 3.3Å; H508-Y534 AromaticContact CD2-CD1 3.56Å; H508-Y534 AromaticContact CD2-CD2 3.55Å; H508-Y534 AromaticContact CD2-CG 3.33Å; H508-Y534 AromaticContact NE2-CG 3.83Å; H508-W536 AromaticContact CE1-NE1 3.77Å; H508-W536 AromaticContact NE2-CD1 3.91Å; H508-W536 AromaticContact NE2-CE2 3.81Å; H508-W536 AromaticContact NE2-NE1 2.97Å; H508-W536 PolarHBondContact NE2-NE1 2.91Å | ||
| 509 | L | 94.9 | Very high | 94.2 | Very high | 132 Ų | 132 | 58.4 Ų | 58.4 | 69% | 0.691 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -85.6 | -14.2 | -179.2 | -61.4 | 178 | 0 | 0 | 0 | 113.7 | ||
| 510 | F | 95.2 | Very high | 93.7 | Very high | 91 Ų | 91 | 60.1 Ų | 60.1 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -135.2 | 155 | -176.6 | -66.3 | -85.8 | 0 | 0 | 0 | 110.3 | C528 D530 | F510-C528 HydrophobicContact CB-CB 4.03Å; F510-C528 PolarHBondContact O-SG 3.43Å; F510-C528 VanDerWaalsContact O-SG 3.33Å; F510-D530 HydrophobicContact CB-CB 4.26Å; F510-D530 HydrophobicContact CD1-CB 3.99Å; F510-D530 HydrophobicContact CD2-CB 3.69Å; F510-D530 WeakPolarHBondContact CD2-OD2 3.13Å; F510-D530 HydrophobicContact CE1-CB 4.22Å; F510-D530 HydrophobicContact CE2-CB 3.93Å; F510-D530 WeakPolarHBondContact CE2-OD2 3.4Å; F510-D530 HydrophobicContact CG-CB 3.72Å; F510-D530 HydrophobicContact CZ-CB 4.19Å |
| 511 | P | 95.8 | Very high | 93.4 | Very high | 54 Ų | 54 | 57 Ų | 57 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | trans | -51.7 | 142.3 | 179.6 | -23 | 27.1 | 0 | 0 | 0 | 113.3 | H489 K513 C528 T529 | H489-P511 VanDerWaalsContact CE1-CG 3.43Å; H489-P511 WeakPolarHBondContact CE1-CG 3.12Å; H489-P511 WeakPolarHBondContact ND1-CA 3.39Å; H489-P511 WeakPolarHBondContact NE2-CD 3.45Å; P511-K513 PolarHBondContact O-N 3Å; P511-C528 CarbonylContact O-C 3.55Å; P511-C528 WeakPolarHBondContact O-CA 3.36Å; P511-T529 HydrophobicContact CB-CG2 3.96Å; P511-T529 WeakPolarHBondContact CD-OG1 3.44Å; P511-T529 HydrophobicContact CG-CG2 4.49Å; P511-T529 PolarHBondContact O-N 3.22Å | ||
| 512 | V | 95.5 | Very high | 93.3 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 119.4 | 176.8 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | V485 H489 V491 I515 I526 | V485-V512 HydrophobicContact CG1-CB 3.92Å; V485-V512 HydrophobicContact CG1-CG1 4.17Å; V485-V512 HydrophobicContact CG1-CG2 4.27Å; H489-V512 WeakPolarHBondContact O-CG2 3.48Å; V491-V512 HydrophobicContact CG2-CG1 4.37Å; V491-V512 HydrophobicContact CG2-CG2 3.82Å; V512-I515 HydrophobicContact CG1-CD1 4.41Å; V512-I515 HydrophobicContact CG1-CG1 3.98Å; V512-I526 HydrophobicContact CB-CG2 4.31Å; V512-I526 HydrophobicContact CG1-CG2 3.76Å; V512-I526 HydrophobicContact CG2-CG2 3.73Å |
| 513 | K | 91.6 | Very high | 93.4 | Very high | 138 Ų | 138 | 55.5 Ų | 55.5 | 60% | 0.6 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | -46.5 | 178.3 | -178.9 | -176.9 | 177.9 | -177.9 | 0 | 111.9 | P511 S527 T529 | P511-K513 PolarHBondContact O-N 3Å; K513-S527 PolarHBondContact N-O 3.03Å; K513-T529 HydrophobicContact CB-CG2 4.17Å |
| 514 | S | 91.8 | Very high | 93.4 | Very high | 32 Ų | 32 | 55.3 Ų | 55.3 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 158.4 | 176.7 | 71.1 | 0 | 0 | 0 | 0 | 112 | H516 S527 | S514-H516 PolarHBondContact OG-CD2 2.83Å; S514-H516 PolarHBondContact OG-NE2 2.9Å; S514-S527 PolarHBondContact N-O 3.49Å; S514-S527 PolarHBondContact N-OG 3.2Å; S514-S527 VanDerWaalsContact N-OG 3.09Å; S514-S527 PolarHBondContact O-N 2.93Å; S514-S527 PolarHBondContact O-OG 2.93Å; S514-S527 PolarHBondContact OG-OG 3.3Å |
| 515 | I | 93.9 | Very high | 93.4 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.7 | 176.2 | -64.9 | 176.5 | 0 | 0 | 0 | 107.4 | L468 V485 V491 V512 W517 I524 L525 | L468-I515 HydrophobicContact CD1-CD1 4.21Å; V485-I515 HydrophobicContact CG2-CD1 3.38Å; V491-I515 HydrophobicContact CG1-CD1 3.84Å; V491-I515 HydrophobicContact CG2-CD1 4.03Å; V512-I515 HydrophobicContact CG1-CD1 4.41Å; V512-I515 HydrophobicContact CG1-CG1 3.98Å; I515-W517 HydrophobicContact CG2-CZ2 4.05Å; I515-I524 HydrophobicContact CG2-CD1 3.72Å; I515-I524 HydrophobicContact CG2-CG1 3.75Å; I515-L525 WeakPolarHBondContact CA-O 3.36Å |
| 516 | H | 94.1 | Very high | 93.4 | Very high | 29 Ų | 29 | 52.6 Ų | 52.6 | 13% | 0.134 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 153.9 | 175.1 | -58.2 | -90.1 | 0 | 0 | 0 | 109.4 | S514 L525 L556 | S514-H516 PolarHBondContact OG-CD2 2.83Å; S514-H516 PolarHBondContact OG-NE2 2.9Å; H516-L525 HydrophobicContact CB-CB 4.15Å; H516-L525 HydrophobicContact CB-CD1 4.33Å; H516-L525 PolarHBondContact N-O 3.43Å; H516-L525 PolarHBondContact O-N 2.92Å; H516-L556 WeakPolarHBondContact CD2-CD2 3.38Å |
| 517 | W | 92.2 | Very high | 93.5 | Very high | 26 Ų | 26 | 49.6 Ų | 49.6 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 137.1 | -172.4 | -55.3 | 88 | 0 | 0 | 0 | 109.8 | P470 P471 C483 L493 I515 P519 I524 M538 N559 | P470-W517 HydrophobicContact CB-CE3 4.32Å; P470-W517 HydrophobicContact CB-CH2 3.85Å; P470-W517 HydrophobicContact CB-CZ2 4.39Å; P470-W517 HydrophobicContact CB-CZ3 3.81Å; P470-W517 HydrophobicContact CG-CH2 3.79Å; P470-W517 HydrophobicContact CG-CZ2 4.5Å; P470-W517 HydrophobicContact CG-CZ3 4.09Å; P471-W517 HydrophobicContact CG-CB 3.5Å; P471-W517 HydrophobicContact CG-CD2 4.08Å; P471-W517 HydrophobicContact CG-CG 3.53Å; C483-W517 HydrophobicContact CB-CH2 3.8Å; C483-W517 HydrophobicContact CB-CZ2 4Å; L493-W517 HydrophobicContact CD2-CH2 3.7Å; L493-W517 HydrophobicContact CD2-CZ3 3.99Å; I515-W517 HydrophobicContact CG2-CZ2 4.05Å; W517-P519 HydrophobicContact CB-CG 4.37Å; W517-I524 HydrophobicContact CD2-CG1 4.4Å; W517-I524 HydrophobicContact CE3-CB 4.4Å; W517-I524 HydrophobicContact CE3-CD1 4.04Å; W517-I524 HydrophobicContact CE3-CG1 4.04Å; W517-I524 HydrophobicContact CH2-CD1 3.71Å; W517-I524 HydrophobicContact CZ2-CD1 4.22Å; W517-I524 HydrophobicContact CZ3-CD1 3.61Å; W517-I524 HydrophobicContact CZ3-CG1 4.12Å; W517-M538 HydrophobicContact CE3-SD 3.74Å; W517-M538 HydrophobicContact CZ3-SD 3.85Å; W517-N559 PolarHBondContact O-OD1 3.26Å |
| 518 | R | 91.1 | Very high | 93.5 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 19% | 0.185 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 76.7 | 166.5 | -72.4 | -167.2 | 176.2 | -174.3 | 2.8 | 109.9 | A520 D521 D522 F523 L525 V555 N559 | R518-A520 VanDerWaalsContact C-N 3.29Å; R518-A520 PolarHBondContact O-N 2.98Å; R518-D521 HydrophobicContact CB-CB 4.35Å; R518-D521 PolarHBondContact O-N 3.17Å; R518-D521 VanDerWaalsContact O-N 3.15Å; R518-D522 PolarHBondContact O-N 2.54Å; R518-F523 CarbonylContact C-O 3.5Å; R518-F523 HydrophobicContact CB-CB 4.15Å; R518-F523 PolarHBondContact N-O 3.21Å; R518-F523 PolarHBondContact O-N 2.82Å; R518-L525 HydrophobicContact CG-CD1 4.23Å; R518-V555 PolarHBondContact NH2-O 2.87Å; R518-N559 WeakPolarHBondContact CG-OD1 3.33Å; R518-N559 PolarHBondContact NE-OD1 3.36Å; R518-N559 VanDerWaalsContact NH2-N 3.12Å |
| 519 | P | 89.3 | Confident | 93.3 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 16% | 0.156 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -58.5 | -38.2 | -176.2 | -27.5 | 39.2 | 0 | 0 | 0 | 113.9 | P471 D473 W517 D521 D522 | P471-P519 HydrophobicContact CB-CG 4.01Å; P471-P519 HydrophobicContact CG-CG 4.1Å; D473-P519 WeakPolarHBondContact OD2-CG 3.13Å; W517-P519 HydrophobicContact CB-CG 4.37Å; P519-D521 PolarHBondContact O-N 3.48Å; P519-D522 PolarHBondContact O-N 3.48Å |
| 520 | A | 85.7 | Confident | 93.2 | Very high | 100 Ų | 100 | 43.3 Ų | 43.3 | 83% | 0.826 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -60.8 | -32 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R518 | R518-A520 VanDerWaalsContact C-N 3.29Å; R518-A520 PolarHBondContact O-N 2.98Å |
| 521 | D | 88.8 | Confident | 92.9 | Very high | 83 Ų | 83 | 41.1 Ų | 41.1 | 44% | 0.444 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -97.5 | 4.8 | 178.6 | -60.6 | -36.5 | 0 | 0 | 0 | 112.4 | R518 P519 F523 | R518-D521 HydrophobicContact CB-CB 4.35Å; R518-D521 PolarHBondContact O-N 3.17Å; R518-D521 VanDerWaalsContact O-N 3.15Å; P519-D521 PolarHBondContact O-N 3.48Å; D521-F523 HydrophobicContact CB-CD2 3.38Å; D521-F523 HydrophobicContact CB-CE2 3.73Å; D521-F523 HydrophobicContact CB-CG 4.14Å; D521-F523 PolarHBondContact O-N 2.97Å |
| 522 | D | 93.4 | Very high | 92.9 | Very high | 34 Ų | 34 | 38.7 Ų | 38.7 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 31.1 | -170.1 | -171.4 | 39.8 | 0 | 0 | 0 | 113.9 | R518 P519 Q537 M538 E539 | R518-D522 PolarHBondContact O-N 2.54Å; P519-D522 PolarHBondContact O-N 3.48Å; D522-Q537 CarbonylContact O-C 3.59Å; D522-Q537 VanDerWaalsContact O-CA 3.29Å; D522-Q537 WeakPolarHBondContact O-CA 3.33Å; D522-M538 PolarHBondContact O-N 3.34Å; D522-M538 WeakPolarHBondContact OD1-CB 3.24Å; D522-E539 WeakPolarHBondContact OD1-CG 3.41Å; D522-E539 PolarHBondContact OD1-N 2.91Å; D522-E539 WeakPolarHBondContact OD2-CB 3.24Å; D522-E539 PolarHBondContact OD2-N 2.82Å; D522-E539 VanDerWaalsContact OD2-N 3.15Å |
| 523 | F | 94.8 | Very high | 93 | Very high | 39 Ų | 39 | 37.3 Ų | 37.3 | 17% | 0.171 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 144.8 | -179 | -61.4 | -44.8 | 0 | 0 | 0 | 114 | R518 D521 L525 V535 W536 Q537 D544 | R518-F523 CarbonylContact C-O 3.5Å; R518-F523 HydrophobicContact CB-CB 4.15Å; R518-F523 PolarHBondContact N-O 3.21Å; R518-F523 PolarHBondContact O-N 2.82Å; D521-F523 HydrophobicContact CB-CD2 3.38Å; D521-F523 HydrophobicContact CB-CE2 3.73Å; D521-F523 HydrophobicContact CB-CG 4.14Å; D521-F523 PolarHBondContact O-N 2.97Å; F523-L525 HydrophobicContact CB-CD2 4.31Å; F523-V535 HydrophobicContact CB-CG1 4.08Å; F523-V535 HydrophobicContact CD1-CG1 3.86Å; F523-V535 HydrophobicContact CD2-CG1 4.11Å; F523-V535 HydrophobicContact CE1-CG1 4.27Å; F523-V535 HydrophobicContact CG-CG1 3.77Å; F523-W536 CarbonylContact C-O 3.53Å; F523-W536 VanDerWaalsContact CA-O 3.27Å; F523-W536 WeakPolarHBondContact CA-O 3.18Å; F523-Q537 HydrophobicContact CD1-CG 3.8Å; F523-Q537 HydrophobicContact CE1-CG 3.47Å; F523-Q537 VanDerWaalsContact CE1-CG 3.47Å; F523-D544 HydrophobicContact CE1-CB 4.12Å |
| 524 | I | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130 | 159.7 | -171.3 | 176.7 | 0 | 0 | 0 | 108.1 | V491 L493 L503 I515 W517 W536 M538 | V491-I524 HydrophobicContact CG1-CD1 4.47Å; L493-I524 HydrophobicContact CD2-CD1 4.48Å; L503-I524 HydrophobicContact CD2-CG2 3.72Å; I515-I524 HydrophobicContact CG2-CD1 3.72Å; I515-I524 HydrophobicContact CG2-CG1 3.75Å; W517-I524 HydrophobicContact CD2-CG1 4.4Å; W517-I524 HydrophobicContact CE3-CB 4.4Å; W517-I524 HydrophobicContact CE3-CD1 4.04Å; W517-I524 HydrophobicContact CE3-CG1 4.04Å; W517-I524 HydrophobicContact CH2-CD1 3.71Å; W517-I524 HydrophobicContact CZ2-CD1 4.22Å; W517-I524 HydrophobicContact CZ3-CD1 3.61Å; W517-I524 HydrophobicContact CZ3-CG1 4.12Å; I524-W536 HydrophobicContact CG2-CB 3.66Å; I524-W536 PolarHBondContact N-O 2.94Å; I524-W536 PolarHBondContact O-N 3.3Å; I524-M538 HydrophobicContact CB-CG 3.75Å; I524-M538 HydrophobicContact CB-SD 4.08Å; I524-M538 HydrophobicContact CG2-CG 3.82Å |
| 525 | L | 96.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 124.3 | -178.4 | -43 | 174.5 | 0 | 0 | 0 | 108.7 | I515 H516 R518 F523 L533 Y534 V535 V555 N559 | I515-L525 WeakPolarHBondContact CA-O 3.36Å; H516-L525 HydrophobicContact CB-CB 4.15Å; H516-L525 HydrophobicContact CB-CD1 4.33Å; H516-L525 PolarHBondContact N-O 3.43Å; H516-L525 PolarHBondContact O-N 2.92Å; R518-L525 HydrophobicContact CG-CD1 4.23Å; F523-L525 HydrophobicContact CB-CD2 4.31Å; L525-L533 HydrophobicContact CB-CD1 4Å; L525-Y534 CarbonylContact C-O 3.47Å; L525-Y534 WeakPolarHBondContact CA-O 3.26Å; L525-V535 HydrophobicContact CD2-CB 4.03Å; L525-V535 HydrophobicContact CD2-CG1 3.66Å; L525-V535 HydrophobicContact CD2-CG2 3.66Å; L525-V555 HydrophobicContact CD1-CG1 4.25Å; L525-N559 HydrophobicContact CD1-CB 4.31Å |
| 526 | I | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 110.9 | -175.6 | -60 | 173.8 | 0 | 0 | 0 | 107.3 | V491 A505 H508 V512 L533 Y534 | V491-I526 HydrophobicContact CB-CD1 3.77Å; V491-I526 HydrophobicContact CG1-CD1 4.21Å; V491-I526 HydrophobicContact CG2-CD1 3.74Å; V491-I526 HydrophobicContact CG2-CG1 4.39Å; V491-I526 HydrophobicContact CG2-CG2 4.27Å; A505-I526 HydrophobicContact CB-CD1 3.8Å; H508-I526 WeakPolarHBondContact CE1-CD1 3.3Å; V512-I526 HydrophobicContact CB-CG2 4.31Å; V512-I526 HydrophobicContact CG1-CG2 3.76Å; V512-I526 HydrophobicContact CG2-CG2 3.73Å; I526-L533 WeakPolarHBondContact O-CA 3.11Å; I526-Y534 PolarHBondContact N-O 3.46Å; I526-Y534 PolarHBondContact O-N 3.02Å |
| 527 | S | 94.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 30.5 Ų | 30.5 | 6% | 0.056 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 136.6 | 175.6 | 88.1 | 0 | 0 | 0 | 0 | 109.2 | K513 S514 S532 | K513-S527 PolarHBondContact N-O 3.03Å; S514-S527 PolarHBondContact N-O 3.49Å; S514-S527 PolarHBondContact N-OG 3.2Å; S514-S527 VanDerWaalsContact N-OG 3.09Å; S514-S527 PolarHBondContact O-N 2.93Å; S514-S527 PolarHBondContact O-OG 2.93Å; S514-S527 PolarHBondContact OG-OG 3.3Å; S527-S532 WeakPolarHBondContact CA-O 3.47Å |
| 528 | C | 95.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 164.1 | 179.7 | -69.7 | 0 | 0 | 0 | 0 | 111.3 | F510 P511 D530 G531 S532 | F510-C528 HydrophobicContact CB-CB 4.03Å; F510-C528 PolarHBondContact O-SG 3.43Å; F510-C528 VanDerWaalsContact O-SG 3.33Å; P511-C528 CarbonylContact O-C 3.55Å; P511-C528 WeakPolarHBondContact O-CA 3.36Å; C528-D530 WeakPolarHBondContact CB-OD1 3.11Å; C528-D530 PolarHBondContact O-N 2.83Å; C528-G531 PolarHBondContact O-N 3.02Å; C528-S532 WeakPolarHBondContact CB-OG 3.43Å; C528-S532 PolarHBondContact N-O 3.35Å |
| 529 | T | 90.5 | Very high | 93.8 | Very high | 72 Ų | 72 | 30.4 Ų | 30.4 | 44% | 0.442 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -22.8 | -177 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | P511 K513 G531 | P511-T529 HydrophobicContact CB-CG2 3.96Å; P511-T529 WeakPolarHBondContact CD-OG1 3.44Å; P511-T529 HydrophobicContact CG-CG2 4.49Å; P511-T529 PolarHBondContact O-N 3.22Å; K513-T529 HydrophobicContact CB-CG2 4.17Å; T529-G531 PolarHBondContact O-N 2.89Å |
| 530 | D | 92.9 | Very high | 93.8 | Very high | 73 Ų | 73 | 33.7 Ų | 33.7 | 39% | 0.39 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -4.1 | 174.1 | 72.8 | -38.7 | 0 | 0 | 0 | 113.2 | F510 C528 S532 | F510-D530 HydrophobicContact CB-CB 4.26Å; F510-D530 HydrophobicContact CD1-CB 3.99Å; F510-D530 HydrophobicContact CD2-CB 3.69Å; F510-D530 WeakPolarHBondContact CD2-OD2 3.13Å; F510-D530 HydrophobicContact CE1-CB 4.22Å; F510-D530 HydrophobicContact CE2-CB 3.93Å; F510-D530 WeakPolarHBondContact CE2-OD2 3.4Å; F510-D530 HydrophobicContact CG-CB 3.72Å; F510-D530 HydrophobicContact CZ-CB 4.19Å; C528-D530 WeakPolarHBondContact CB-OD1 3.11Å; C528-D530 PolarHBondContact O-N 2.83Å; D530-S532 VanDerWaalsContact CG-OG 3.29Å; D530-S532 WeakPolarHBondContact OD1-CB 3.49Å; D530-S532 PolarHBondContact OD1-N 3.42Å; D530-S532 VanDerWaalsContact OD1-N 3.1Å; D530-S532 PolarHBondContact OD1-OG 2.72Å; D530-S532 WeakPolarHBondContact OD2-CB 3.11Å; D530-S532 PolarHBondContact OD2-OG 2.85Å |
| 531 | G | 89.6 | Confident | 94.1 | Very high | 45 Ų | 45 | 30.2 Ų | 30.2 | 46% | 0.464 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 87.1 | 5.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C528 T529 | C528-G531 PolarHBondContact O-N 3.02Å; T529-G531 PolarHBondContact O-N 2.89Å |
| 532 | S | 96 | Very high | 94.3 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | trans | -74.1 | 151.9 | 171.1 | 64.2 | 0 | 0 | 0 | 0 | 111.8 | S527 C528 D530 Y534 L547 | S527-S532 WeakPolarHBondContact CA-O 3.47Å; C528-S532 WeakPolarHBondContact CB-OG 3.43Å; C528-S532 PolarHBondContact N-O 3.35Å; D530-S532 VanDerWaalsContact CG-OG 3.29Å; D530-S532 WeakPolarHBondContact OD1-CB 3.49Å; D530-S532 PolarHBondContact OD1-N 3.42Å; D530-S532 VanDerWaalsContact OD1-N 3.1Å; D530-S532 PolarHBondContact OD1-OG 2.72Å; D530-S532 WeakPolarHBondContact OD2-CB 3.11Å; D530-S532 PolarHBondContact OD2-OG 2.85Å; S532-Y534 WeakPolarHBondContact OG-CE2 3.33Å; S532-L547 CarbonylContact C-O 3.54Å; S532-L547 WeakPolarHBondContact CA-O 3.48Å | ||
| 533 | L | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 120.1 | -179.2 | -176.9 | 72.4 | 0 | 0 | 0 | 110.1 | L525 I526 V546 L547 A552 V555 L556 | L525-L533 HydrophobicContact CB-CD1 4Å; I526-L533 WeakPolarHBondContact O-CA 3.11Å; L533-V546 CarbonylContact O-C 3.55Å; L533-V546 WeakPolarHBondContact O-CA 3.47Å; L533-L547 HydrophobicContact CB-CB 4.32Å; L533-L547 HydrophobicContact CD2-CD1 4.35Å; L533-L547 PolarHBondContact N-O 2.64Å; L533-L547 PolarHBondContact O-N 3.29Å; L533-A552 HydrophobicContact CB-CB 3.73Å; L533-A552 HydrophobicContact CD2-CB 4.48Å; L533-V555 HydrophobicContact CD2-CB 3.95Å; L533-V555 HydrophobicContact CD2-CG1 3.77Å; L533-L556 HydrophobicContact CD1-CD1 4.31Å; L533-L556 HydrophobicContact CD1-CD2 3.71Å; L533-L556 HydrophobicContact CD1-CG 4.05Å; L533-L556 HydrophobicContact CD2-CD2 4.33Å; L533-L556 HydrophobicContact CD2-CG 4.06Å |
| 534 | Y | 98.2 | Very high | 94.5 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131.4 | 178.2 | -68.8 | -110.9 | 0 | 0 | 0 | 109.9 | H508 L525 I526 S532 L543 V546 | H508-Y534 AromaticContact CD2-CD1 3.56Å; H508-Y534 AromaticContact CD2-CD2 3.55Å; H508-Y534 AromaticContact CD2-CG 3.33Å; H508-Y534 AromaticContact NE2-CG 3.83Å; L525-Y534 CarbonylContact C-O 3.47Å; L525-Y534 WeakPolarHBondContact CA-O 3.26Å; I526-Y534 PolarHBondContact N-O 3.46Å; I526-Y534 PolarHBondContact O-N 3.02Å; S532-Y534 WeakPolarHBondContact OG-CE2 3.33Å; Y534-L543 HydrophobicContact CD1-CD1 3.96Å; Y534-L543 HydrophobicContact CD1-CD2 4.4Å; Y534-V546 HydrophobicContact CD1-CB 4.29Å; Y534-V546 HydrophobicContact CD1-CG1 4Å; Y534-V546 HydrophobicContact CD1-CG2 3.44Å; Y534-V546 VanDerWaalsContact CD1-CG2 3.44Å; Y534-V546 HydrophobicContact CD2-CG1 4.18Å; Y534-V546 HydrophobicContact CE1-CB 4.25Å; Y534-V546 HydrophobicContact CE1-CG1 3.72Å; Y534-V546 HydrophobicContact CE1-CG2 3.46Å; Y534-V546 VanDerWaalsContact CE1-CG2 3.46Å; Y534-V546 HydrophobicContact CE2-CG1 3.9Å; Y534-V546 HydrophobicContact CG-CG1 4.2Å; Y534-V546 HydrophobicContact CG-CG2 4.23Å |
| 535 | V | 97 | Very high | 94.5 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 114.1 | -179.2 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | F523 L525 D544 R545 | F523-V535 HydrophobicContact CB-CG1 4.08Å; F523-V535 HydrophobicContact CD1-CG1 3.86Å; F523-V535 HydrophobicContact CD2-CG1 4.11Å; F523-V535 HydrophobicContact CE1-CG1 4.27Å; F523-V535 HydrophobicContact CG-CG1 3.77Å; L525-V535 HydrophobicContact CD2-CB 4.03Å; L525-V535 HydrophobicContact CD2-CG1 3.66Å; L525-V535 HydrophobicContact CD2-CG2 3.66Å; V535-D544 HydrophobicContact CB-CB 4.45Å; V535-D544 HydrophobicContact CG1-CB 4.21Å; V535-D544 WeakPolarHBondContact O-CB 3.31Å; V535-D544 PolarHBondContact O-N 3.45Å; V535-R545 HydrophobicContact CB-CG 3.93Å; V535-R545 HydrophobicContact CG2-CG 3.81Å; V535-R545 PolarHBondContact N-O 2.97Å; V535-R545 PolarHBondContact O-N 2.77Å |
| 536 | W | 97.9 | Very high | 94.6 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 3% | 0.034 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139.8 | -179.5 | -68.3 | 84.4 | 0 | 0 | 0 | 110.8 | L503 A505 K507 H508 F523 I524 G541 L543 | L503-W536 HydrophobicContact CD1-CE3 3.91Å; L503-W536 HydrophobicContact CD2-CB 4.4Å; A505-W536 HydrophobicContact CB-CD2 3.59Å; A505-W536 VanDerWaalsContact CB-CE2 3.42Å; A505-W536 HydrophobicContact CB-CE3 4.07Å; A505-W536 HydrophobicContact CB-CG 3.94Å; A505-W536 HydrophobicContact CB-CH2 4.24Å; A505-W536 HydrophobicContact CB-CZ2 3.79Å; A505-W536 HydrophobicContact CB-CZ3 4.37Å; K507-W536 HydrophobicContact CB-CH2 4.27Å; K507-W536 HydrophobicContact CB-CZ2 4.01Å; K507-W536 HydrophobicContact CD-CH2 4.12Å; K507-W536 HydrophobicContact CG-CH2 4.05Å; K507-W536 HydrophobicContact CG-CZ2 4.3Å; H508-W536 AromaticContact CE1-NE1 3.77Å; H508-W536 AromaticContact NE2-CD1 3.91Å; H508-W536 AromaticContact NE2-CE2 3.81Å; H508-W536 AromaticContact NE2-NE1 2.97Å; H508-W536 PolarHBondContact NE2-NE1 2.91Å; F523-W536 CarbonylContact C-O 3.53Å; F523-W536 VanDerWaalsContact CA-O 3.27Å; F523-W536 WeakPolarHBondContact CA-O 3.18Å; I524-W536 HydrophobicContact CG2-CB 3.66Å; I524-W536 PolarHBondContact N-O 2.94Å; I524-W536 PolarHBondContact O-N 3.3Å; W536-G541 WeakPolarHBondContact CZ3-O 3.31Å; W536-L543 HydrophobicContact CD2-CB 4.03Å; W536-L543 HydrophobicContact CD2-CD1 3.94Å; W536-L543 HydrophobicContact CE3-CB 3.82Å; W536-L543 HydrophobicContact CG-CD1 4.21Å; W536-L543 HydrophobicContact CH2-CB 3.85Å; W536-L543 HydrophobicContact CZ2-CB 4.04Å; W536-L543 HydrophobicContact CZ2-CD1 3.99Å; W536-L543 HydrophobicContact CZ2-CD2 4.33Å; W536-L543 HydrophobicContact CZ2-CG 4.34Å; W536-L543 HydrophobicContact CZ3-CB 3.74Å |
| 537 | Q | 95.4 | Very high | 94.5 | Very high | 50 Ų | 50 | 43 Ų | 43 | 23% | 0.234 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 122.1 | 167.6 | -73.1 | 178 | 0.5 | 0 | 0 | 109.7 | D522 F523 T540 G541 H542 | D522-Q537 CarbonylContact O-C 3.59Å; D522-Q537 VanDerWaalsContact O-CA 3.29Å; D522-Q537 WeakPolarHBondContact O-CA 3.33Å; F523-Q537 HydrophobicContact CD1-CG 3.8Å; F523-Q537 HydrophobicContact CE1-CG 3.47Å; F523-Q537 VanDerWaalsContact CE1-CG 3.47Å; Q537-T540 WeakPolarHBondContact CB-OG1 3.41Å; Q537-T540 PolarHBondContact OE1-OG1 2.92Å; Q537-G541 WeakPolarHBondContact O-CA 3.49Å; Q537-G541 PolarHBondContact O-N 2.95Å; Q537-G541 VanDerWaalsContact O-N 3.09Å; Q537-H542 HydrophobicContact CB-CB 4.45Å; Q537-H542 PolarHBondContact N-O 3.45Å |
| 538 | M | 93.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -38.6 | -172.9 | -60.1 | -178.3 | -76.6 | 0 | 0 | 112.3 | V478 L493 W517 D522 I524 | V478-M538 HydrophobicContact CG1-SD 4.45Å; V478-M538 HydrophobicContact CG2-CB 4.13Å; L493-M538 HydrophobicContact CD1-CB 4.05Å; L493-M538 HydrophobicContact CD1-CG 4.17Å; W517-M538 HydrophobicContact CE3-SD 3.74Å; W517-M538 HydrophobicContact CZ3-SD 3.85Å; D522-M538 PolarHBondContact O-N 3.34Å; D522-M538 WeakPolarHBondContact OD1-CB 3.24Å; I524-M538 HydrophobicContact CB-CG 3.75Å; I524-M538 HydrophobicContact CB-SD 4.08Å; I524-M538 HydrophobicContact CG2-CG 3.82Å |
| 539 | E | 89.4 | Confident | 94 | Very high | 73 Ų | 73 | 49.4 Ų | 49.4 | 34% | 0.341 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -38.7 | -178.6 | -71.6 | -167.7 | 177.5 | 0 | 0 | 114 | S475 K477 D522 | S475-E539 WeakPolarHBondContact CB-OE1 3.39Å; S475-E539 PolarHBondContact OG-OE1 3.43Å; K477-E539 HydrophobicContact CD-CG 4.12Å; K477-E539 IonicContact NZ-OE2 3.21Å; K477-E539 PolarHBondContact NZ-OE2 3.39Å; D522-E539 WeakPolarHBondContact OD1-CG 3.41Å; D522-E539 PolarHBondContact OD1-N 2.91Å; D522-E539 WeakPolarHBondContact OD2-CB 3.24Å; D522-E539 PolarHBondContact OD2-N 2.82Å; D522-E539 VanDerWaalsContact OD2-N 3.15Å |
| 540 | T | 90 | Very high | 93.7 | Very high | 92 Ų | 92 | 50.5 Ų | 50.5 | 56% | 0.564 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -18.4 | -174.5 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | Q537 H542 | Q537-T540 WeakPolarHBondContact CB-OG1 3.41Å; Q537-T540 PolarHBondContact OE1-OG1 2.92Å; T540-H542 PolarHBondContact O-N 3.01Å; T540-H542 WeakPolarHBondContact OG1-CB 3.4Å; T540-H542 PolarHBondContact OG1-N 3.19Å |
| 541 | G | 90.4 | Very high | 93.4 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | trans | 75 | 7.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | W536 Q537 | W536-G541 WeakPolarHBondContact CZ3-O 3.31Å; Q537-G541 WeakPolarHBondContact O-CA 3.49Å; Q537-G541 PolarHBondContact O-N 2.95Å; Q537-G541 VanDerWaalsContact O-N 3.09Å | ||
| 542 | H | 94.1 | Very high | 93.4 | Very high | 109 Ų | 109 | 49.7 Ų | 49.7 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | trans | -84 | 132.3 | -173.8 | -177.1 | -88.9 | 0 | 0 | 0 | 111.9 | Q537 T540 D544 | Q537-H542 HydrophobicContact CB-CB 4.45Å; Q537-H542 PolarHBondContact N-O 3.45Å; T540-H542 PolarHBondContact O-N 3.01Å; T540-H542 WeakPolarHBondContact OG1-CB 3.4Å; T540-H542 PolarHBondContact OG1-N 3.19Å; H542-D544 PolarHBondContact O-N 2.94Å | ||
| 543 | L | 97.4 | Very high | 92.7 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 17% | 0.168 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 105.4 | 168.5 | 174.7 | 63.4 | 0 | 0 | 0 | 108.9 | K507 Y534 W536 V546 | K507-L543 HydrophobicContact CB-CD2 4.38Å; K507-L543 HydrophobicContact CD-CD2 3.79Å; Y534-L543 HydrophobicContact CD1-CD1 3.96Å; Y534-L543 HydrophobicContact CD1-CD2 4.4Å; W536-L543 HydrophobicContact CD2-CB 4.03Å; W536-L543 HydrophobicContact CD2-CD1 3.94Å; W536-L543 HydrophobicContact CE3-CB 3.82Å; W536-L543 HydrophobicContact CG-CD1 4.21Å; W536-L543 HydrophobicContact CH2-CB 3.85Å; W536-L543 HydrophobicContact CZ2-CB 4.04Å; W536-L543 HydrophobicContact CZ2-CD1 3.99Å; W536-L543 HydrophobicContact CZ2-CD2 4.33Å; W536-L543 HydrophobicContact CZ2-CG 4.34Å; W536-L543 HydrophobicContact CZ3-CB 3.74Å; L543-V546 HydrophobicContact CD1-CG2 4.29Å; L543-V546 HydrophobicContact CD2-CG2 4.04Å |
| 544 | D | 95.1 | Very high | 92 | Very high | 49 Ų | 49 | 61.2 Ų | 61.2 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | -52.4 | -178.6 | -174 | 78.9 | 0 | 0 | 0 | 111.6 | F523 V535 H542 | F523-D544 HydrophobicContact CE1-CB 4.12Å; V535-D544 HydrophobicContact CB-CB 4.45Å; V535-D544 HydrophobicContact CG1-CB 4.21Å; V535-D544 WeakPolarHBondContact O-CB 3.31Å; V535-D544 PolarHBondContact O-N 3.45Å; H542-D544 PolarHBondContact O-N 2.94Å |
| 545 | R | 95.8 | Very high | 91.5 | Very high | 138 Ų | 138 | 62.4 Ų | 62.4 | 52% | 0.521 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 167.5 | 179.5 | 69.1 | -170.1 | 72.7 | -177.4 | 2.5 | 113.3 | V535 L547 | V535-R545 HydrophobicContact CB-CG 3.93Å; V535-R545 HydrophobicContact CG2-CG 3.81Å; V535-R545 PolarHBondContact N-O 2.97Å; V535-R545 PolarHBondContact O-N 2.77Å; R545-L547 HydrophobicContact CG-CD2 4.46Å; R545-L547 HydrophobicContact CG-CG 4.28Å |
| 546 | V | 97.3 | Very high | 90.7 | Very high | 67 Ų | 67 | 63.7 Ų | 63.7 | 41% | 0.406 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.2 | 171.8 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | L533 Y534 L543 | L533-V546 CarbonylContact O-C 3.55Å; L533-V546 WeakPolarHBondContact O-CA 3.47Å; Y534-V546 HydrophobicContact CD1-CB 4.29Å; Y534-V546 HydrophobicContact CD1-CG1 4Å; Y534-V546 HydrophobicContact CD1-CG2 3.44Å; Y534-V546 VanDerWaalsContact CD1-CG2 3.44Å; Y534-V546 HydrophobicContact CD2-CG1 4.18Å; Y534-V546 HydrophobicContact CE1-CB 4.25Å; Y534-V546 HydrophobicContact CE1-CG1 3.72Å; Y534-V546 HydrophobicContact CE1-CG2 3.46Å; Y534-V546 VanDerWaalsContact CE1-CG2 3.46Å; Y534-V546 HydrophobicContact CE2-CG1 3.9Å; Y534-V546 HydrophobicContact CG-CG1 4.2Å; Y534-V546 HydrophobicContact CG-CG2 4.23Å; L543-V546 HydrophobicContact CD1-CG2 4.29Å; L543-V546 HydrophobicContact CD2-CG2 4.04Å |
| 547 | L | 96.1 | Very high | 89.8 | Confident | 32 Ų | 32 | 68.1 Ų | 68.1 | 17% | 0.168 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 147.4 | -178.9 | -58.9 | 174.1 | 0 | 0 | 0 | 109.8 | S532 L533 R545 A552 V555 | S532-L547 CarbonylContact C-O 3.54Å; S532-L547 WeakPolarHBondContact CA-O 3.48Å; L533-L547 HydrophobicContact CB-CB 4.32Å; L533-L547 HydrophobicContact CD2-CD1 4.35Å; L533-L547 PolarHBondContact N-O 2.64Å; L533-L547 PolarHBondContact O-N 3.29Å; R545-L547 HydrophobicContact CG-CD2 4.46Å; R545-L547 HydrophobicContact CG-CG 4.28Å; L547-A552 HydrophobicContact CB-CB 4.15Å; L547-V555 HydrophobicContact CD1-CB 4.3Å; L547-V555 HydrophobicContact CD1-CG2 3.72Å |
| 548 | T | 93.3 | Very high | 88.9 | Confident | 95 Ų | 95 | 67.8 Ų | 67.8 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | trans | -139.5 | 157.4 | 176.7 | 55.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 549 | G | 87.7 | Confident | 88.1 | Confident | 49 Ų | 49 | 67.9 Ų | 67.9 | 51% | 0.505 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | -144.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L551 A552 E553 | G549-L551 VanDerWaalsContact C-N 3.26Å; G549-L551 PolarHBondContact O-N 3.22Å; G549-A552 WeakPolarHBondContact O-CB 3.18Å; G549-A552 PolarHBondContact O-N 3.28Å; G549-E553 PolarHBondContact O-N 3.31Å |
| 550 | T | 83.9 | Confident | 86.9 | Confident | 95 Ų | 95 | 68.2 Ų | 68.2 | 58% | 0.583 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.7 | -33.1 | -173.3 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | A552 E553 E554 | T550-A552 VanDerWaalsContact C-N 3.31Å; T550-A552 PolarHBondContact O-N 3.31Å; T550-E553 PolarHBondContact O-N 2.73Å; T550-E554 WeakPolarHBondContact O-CG 3.28Å; T550-E554 PolarHBondContact O-N 2.97Å |
| 551 | L | 87 | Confident | 85.3 | Confident | 100 Ų | 100 | 70.2 Ų | 70.2 | 52% | 0.524 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 176.8 | -71.9 | 171.6 | 0 | 0 | 0 | 112.4 | G549 V555 | G549-L551 VanDerWaalsContact C-N 3.26Å; G549-L551 PolarHBondContact O-N 3.22Å; L551-V555 WeakPolarHBondContact O-CG2 3.38Å; L551-V555 PolarHBondContact O-N 2.77Å |
| 552 | A | 88.1 | Confident | 83.7 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 2% | 0.017 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L533 L547 G549 T550 V555 L556 | L533-A552 HydrophobicContact CB-CB 3.73Å; L533-A552 HydrophobicContact CD2-CB 4.48Å; L547-A552 HydrophobicContact CB-CB 4.15Å; G549-A552 WeakPolarHBondContact O-CB 3.18Å; G549-A552 PolarHBondContact O-N 3.28Å; T550-A552 VanDerWaalsContact C-N 3.31Å; T550-A552 PolarHBondContact O-N 3.31Å; A552-V555 PolarHBondContact O-N 2.81Å; A552-L556 WeakPolarHBondContact O-CG 3.4Å; A552-L556 PolarHBondContact O-N 2.75Å; A552-L556 VanDerWaalsContact O-N 3.07Å |
| 553 | E | 82.6 | Confident | 81.6 | Confident | 125 Ų | 125 | 72.2 Ų | 72.2 | 58% | 0.584 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.2 | -45.3 | 176.8 | -63.7 | -178.3 | 165.3 | 0 | 0 | 111.8 | G549 T550 V555 L556 L557 | G549-E553 PolarHBondContact O-N 3.31Å; T550-E553 PolarHBondContact O-N 2.73Å; E553-V555 PolarHBondContact O-N 2.79Å; E553-L556 PolarHBondContact O-N 2.78Å; E553-L557 WeakPolarHBondContact O-CB 3.47Å; E553-L557 WeakPolarHBondContact O-CD1 3.41Å; E553-L557 PolarHBondContact O-N 2.93Å |
| 554 | E | 82.8 | Confident | 79 | Confident | 119 Ų | 119 | 73.8 Ų | 73.8 | 56% | 0.556 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.5 | -43.6 | 177.5 | -76.2 | 175.8 | -174.6 | 0 | 0 | 112.3 | T550 L557 A558 | T550-E554 WeakPolarHBondContact O-CG 3.28Å; T550-E554 PolarHBondContact O-N 2.97Å; E554-L557 PolarHBondContact O-N 3.4Å; E554-A558 WeakPolarHBondContact O-CB 3.14Å; E554-A558 PolarHBondContact O-N 2.84Å |
| 555 | V | 86 | Confident | 76.3 | Confident | 39 Ų | 39 | 74.9 Ų | 74.9 | 24% | 0.236 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 178 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | R518 L525 L533 L547 L551 A552 E553 A558 N559 | R518-V555 PolarHBondContact NH2-O 2.87Å; L525-V555 HydrophobicContact CD1-CG1 4.25Å; L533-V555 HydrophobicContact CD2-CB 3.95Å; L533-V555 HydrophobicContact CD2-CG1 3.77Å; L547-V555 HydrophobicContact CD1-CB 4.3Å; L547-V555 HydrophobicContact CD1-CG2 3.72Å; L551-V555 WeakPolarHBondContact O-CG2 3.38Å; L551-V555 PolarHBondContact O-N 2.77Å; A552-V555 PolarHBondContact O-N 2.81Å; E553-V555 PolarHBondContact O-N 2.79Å; V555-A558 PolarHBondContact O-N 2.85Å; V555-N559 PolarHBondContact O-N 2.89Å |
| 556 | L | 81.6 | Confident | 73.4 | Confident | 35 Ų | 35 | 72.5 Ų | 72.5 | 18% | 0.183 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 175.7 | -73.9 | 173.5 | 0 | 0 | 0 | 111.9 | H516 L533 A552 E553 N559 N560 | H516-L556 WeakPolarHBondContact CD2-CD2 3.38Å; L533-L556 HydrophobicContact CD1-CD1 4.31Å; L533-L556 HydrophobicContact CD1-CD2 3.71Å; L533-L556 HydrophobicContact CD1-CG 4.05Å; L533-L556 HydrophobicContact CD2-CD2 4.33Å; L533-L556 HydrophobicContact CD2-CG 4.06Å; A552-L556 WeakPolarHBondContact O-CG 3.4Å; A552-L556 PolarHBondContact O-N 2.75Å; A552-L556 VanDerWaalsContact O-N 3.07Å; E553-L556 PolarHBondContact O-N 2.78Å; L556-N559 WeakPolarHBondContact O-CB 3.41Å; L556-N559 PolarHBondContact O-N 2.97Å; L556-N560 VanDerWaalsContact O-CG 3.32Å; L556-N560 PolarHBondContact O-N 2.84Å; L556-N560 PolarHBondContact O-ND2 2.9Å |
| 557 | L | 77.7 | Confident | 70.5 | Confident | 102 Ų | 102 | 78.8 Ų | 78.8 | 53% | 0.534 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.4 | -50.8 | 173.6 | -89.8 | 150.5 | 0 | 0 | 0 | 111.1 | E553 E554 N559 N560 E561 | E553-L557 WeakPolarHBondContact O-CB 3.47Å; E553-L557 WeakPolarHBondContact O-CD1 3.41Å; E553-L557 PolarHBondContact O-N 2.93Å; E554-L557 PolarHBondContact O-N 3.4Å; L557-N559 PolarHBondContact O-N 3.43Å; L557-N560 PolarHBondContact O-N 2.83Å; L557-E561 WeakPolarHBondContact O-CG 3.5Å; L557-E561 PolarHBondContact O-N 3.2Å |
| 558 | A | 77.7 | Confident | 67.6 | Low | 42 Ų | 42 | 80.4 Ų | 80.4 | 35% | 0.347 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.8 | -29.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E554 V555 | E554-A558 WeakPolarHBondContact O-CB 3.14Å; E554-A558 PolarHBondContact O-N 2.84Å; V555-A558 PolarHBondContact O-N 2.85Å |
| 559 | N | 75.7 | Confident | 64.8 | Low | 3 Ų | 3 | 78.4 Ų | 78.4 | 2% | 0.016 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -71.1 | -49.6 | 174.2 | -169 | 74.2 | 0 | 0 | 0 | 112.1 | W517 R518 L525 V555 L556 L557 E561 M562 E563 | W517-N559 PolarHBondContact O-OD1 3.26Å; R518-N559 WeakPolarHBondContact CG-OD1 3.33Å; R518-N559 PolarHBondContact NE-OD1 3.36Å; R518-N559 VanDerWaalsContact NH2-N 3.12Å; L525-N559 HydrophobicContact CD1-CB 4.31Å; V555-N559 PolarHBondContact O-N 2.89Å; L556-N559 WeakPolarHBondContact O-CB 3.41Å; L556-N559 PolarHBondContact O-N 2.97Å; L557-N559 PolarHBondContact O-N 3.43Å; N559-E561 PolarHBondContact O-N 3.36Å; N559-M562 PolarHBondContact O-N 3.43Å; N559-E563 PolarHBondContact ND2-OE1 2.77Å; N559-E563 VanDerWaalsContact ND2-OE1 3.15Å; N559-E563 PolarHBondContact O-N 2.85Å |
| 560 | N | 65.4 | Low | 62.4 | Low | 80 Ų | 80 | 81.8 Ų | 81.8 | 43% | 0.428 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.6 | -34.4 | -179.6 | -68.3 | -21.9 | 0 | 0 | 0 | 111.7 | L556 L557 M562 E563 G564 | L556-N560 VanDerWaalsContact O-CG 3.32Å; L556-N560 PolarHBondContact O-N 2.84Å; L556-N560 PolarHBondContact O-ND2 2.9Å; L557-N560 PolarHBondContact O-N 2.83Å; N560-M562 VanDerWaalsContact C-N 3.31Å; N560-M562 PolarHBondContact O-N 2.84Å; N560-E563 PolarHBondContact O-N 3.42Å; N560-G564 PolarHBondContact O-N 3.47Å |
| 561 | E | 56.7 | Low | 60.4 | Low | 135 Ų | 135 | 85.1 Ų | 85.1 | 63% | 0.631 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.7 | -34.2 | 173.8 | -74.2 | -179.5 | 177.3 | 0 | 0 | 112.6 | L557 N559 F565 | L557-E561 WeakPolarHBondContact O-CG 3.5Å; L557-E561 PolarHBondContact O-N 3.2Å; N559-E561 PolarHBondContact O-N 3.36Å; E561-F565 VanDerWaalsContact O-CD2 3.23Å; E561-F565 WeakPolarHBondContact O-CD2 3.48Å |
| 562 | M | 56.4 | Low | 58.3 | Low | 99 Ų | 99 | 84.8 Ų | 84.8 | 49% | 0.488 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -77.7 | -40.9 | 174.5 | -74.7 | -134.6 | -150.8 | 0 | 0 | 113.3 | N559 N560 G564 F565 | N559-M562 PolarHBondContact O-N 3.43Å; N560-M562 VanDerWaalsContact C-N 3.31Å; N560-M562 PolarHBondContact O-N 2.84Å; M562-G564 PolarHBondContact O-N 2.96Å; M562-F565 PolarHBondContact O-N 2.89Å |
| 563 | E | 49.4 | Very low | 56.2 | Low | 79 Ų | 79 | 86.6 Ų | 86.6 | 37% | 0.369 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.4 | -32.5 | 178.8 | -80.8 | -174.8 | -168.1 | 0 | 0 | 112.3 | N559 N560 F565 V566 | N559-E563 PolarHBondContact ND2-OE1 2.77Å; N559-E563 VanDerWaalsContact ND2-OE1 3.15Å; N559-E563 PolarHBondContact O-N 2.85Å; N560-E563 PolarHBondContact O-N 3.42Å; E563-F565 PolarHBondContact O-N 2.84Å; E563-V566 PolarHBondContact O-N 3.48Å |
| 564 | G | 43.3 | Very low | 54.6 | Low | 64 Ų | 64 | 81.5 Ų | 81.5 | 66% | 0.66 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.1 | -24 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N560 M562 | N560-G564 PolarHBondContact O-N 3.47Å; M562-G564 PolarHBondContact O-N 2.96Å |
| 565 | F | 37.3 | Very low | 53.1 | Low | 73 Ų | 73 | 78.3 Ų | 78.3 | 32% | 0.32 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -92 | -28.9 | -178.3 | -76.9 | -86.3 | 0 | 0 | 0 | 114 | E561 M562 E563 K567 T569 S574 S577 F581 | E561-F565 VanDerWaalsContact O-CD2 3.23Å; E561-F565 WeakPolarHBondContact O-CD2 3.48Å; M562-F565 PolarHBondContact O-N 2.89Å; E563-F565 PolarHBondContact O-N 2.84Å; F565-K567 VanDerWaalsContact C-N 3.32Å; F565-K567 PolarHBondContact O-N 3.24Å; F565-T569 PolarHBondContact O-OG1 3.17Å; F565-S574 WeakPolarHBondContact CB-OG 3.29Å; F565-S577 WeakPolarHBondContact CD1-OG 3.17Å; F565-S577 VanDerWaalsContact CE1-OG 3.25Å; F565-S577 WeakPolarHBondContact CE1-OG 3.47Å; F565-F581 HydrophobicContact CZ-CD2 4.34Å; F565-F581 HydrophobicContact CZ-CE2 4.02Å |
| 566 | V | 36.5 | Very low | 51.4 | Low | 88 Ų | 88 | 77.5 Ų | 77.5 | 53% | 0.533 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -72.3 | -25.8 | -176.4 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | E563 G568 | E563-V566 PolarHBondContact O-N 3.48Å; V566-G568 VanDerWaalsContact C-N 3.29Å; V566-G568 PolarHBondContact O-N 2.85Å |
| 567 | K | 35.9 | Very low | 49.8 | Very low | 199 Ų | 199 | 76.3 Ų | 76.3 | 87% | 0.865 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 0.8 | -174.7 | -78.1 | -169.1 | 177 | -178.2 | 0 | 116.4 | F565 | F565-K567 VanDerWaalsContact C-N 3.32Å; F565-K567 PolarHBondContact O-N 3.24Å |
| 568 | G | 35.8 | Very low | 48.5 | Very low | 66 Ų | 66 | 72.8 Ų | 72.8 | 68% | 0.68 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.3 | -0.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | V566 | V566-G568 VanDerWaalsContact C-N 3.29Å; V566-G568 PolarHBondContact O-N 2.85Å |
| 569 | T | 33.6 | Very low | 47.3 | Very low | 52 Ų | 52 | 75.6 Ų | 75.6 | 32% | 0.319 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -141.4 | 147.8 | -175.6 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | F565 E571 F573 | F565-T569 PolarHBondContact O-OG1 3.17Å; T569-E571 PolarHBondContact O-N 2.88Å; T569-F573 HydrophobicContact CG2-CD1 4.19Å |
| 570 | D | 36.9 | Very low | 46.1 | Very low | 121 Ų | 121 | 76.4 Ų | 76.4 | 65% | 0.647 | 43% | 0.429 | S | S | * | . | trans | -39.5 | 136.1 | 169.7 | -98.5 | -24.3 | 0 | 0 | 0 | 110.1 | T572 F573 S574 | D570-T572 PolarHBondContact O-N 2.82Å; D570-F573 WeakPolarHBondContact O-CB 3.32Å; D570-F573 PolarHBondContact O-N 3.37Å; D570-S574 PolarHBondContact O-N 3.44Å | ||
| 571 | E | 42.1 | Very low | 45.4 | Very low | 164 Ų | 164 | 78.9 Ų | 78.9 | 77% | 0.766 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -50.1 | -31.1 | -176.8 | -70 | -171 | 164.7 | 0 | 0 | 112.7 | T569 F573 A575 | T569-E571 PolarHBondContact O-N 2.88Å; E571-F573 PolarHBondContact O-N 3.34Å; E571-A575 VanDerWaalsContact O-CB 3.3Å; E571-A575 WeakPolarHBondContact O-CB 3.23Å; E571-A575 PolarHBondContact O-N 3.46Å |
| 572 | T | 42.7 | Very low | 44.9 | Very low | 93 Ų | 93 | 77.8 Ų | 77.8 | 57% | 0.571 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.6 | -35.3 | 175.9 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | D570 L576 | D570-T572 PolarHBondContact O-N 2.82Å; T572-L576 WeakPolarHBondContact O-CB 3.22Å; T572-L576 PolarHBondContact O-N 2.95Å |
| 573 | F | 43.6 | Very low | 44.6 | Very low | 40 Ų | 40 | 73.5 Ų | 73.5 | 18% | 0.175 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -76.1 | -44.2 | -179.4 | -153.7 | -94.8 | 0 | 0 | 0 | 111.2 | T569 D570 E571 L576 S577 L599 L603 | T569-F573 HydrophobicContact CG2-CD1 4.19Å; D570-F573 WeakPolarHBondContact O-CB 3.32Å; D570-F573 PolarHBondContact O-N 3.37Å; E571-F573 PolarHBondContact O-N 3.34Å; F573-L576 PolarHBondContact O-N 3.4Å; F573-S577 PolarHBondContact O-N 3.4Å; F573-S577 PolarHBondContact O-OG 2.75Å; F573-S577 VanDerWaalsContact O-OG 3.14Å; F573-L599 HydrophobicContact CD1-CD2 4.23Å; F573-L599 HydrophobicContact CD2-CD2 3.68Å; F573-L599 HydrophobicContact CE1-CD2 4.01Å; F573-L599 HydrophobicContact CE2-CB 4.49Å; F573-L599 HydrophobicContact CE2-CD2 3.39Å; F573-L599 HydrophobicContact CG-CD2 4.09Å; F573-L599 HydrophobicContact CZ-CD2 3.59Å; F573-L603 HydrophobicContact CE2-CD1 4.42Å; F573-L603 HydrophobicContact CE2-CD2 3.76Å; F573-L603 HydrophobicContact CE2-CG 3.7Å; F573-L603 HydrophobicContact CZ-CD1 4.22Å; F573-L603 HydrophobicContact CZ-CD2 3.68Å; F573-L603 HydrophobicContact CZ-CG 3.87Å |
| 574 | S | 50.2 | Low | 44.6 | Very low | 18 Ų | 18 | 75.2 Ų | 75.2 | 13% | 0.126 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 174.6 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | F565 D570 L576 S577 A578 | F565-S574 WeakPolarHBondContact CB-OG 3.29Å; D570-S574 PolarHBondContact O-N 3.44Å; S574-L576 VanDerWaalsContact C-N 3.31Å; S574-L576 PolarHBondContact O-N 2.88Å; S574-S577 PolarHBondContact O-N 2.97Å; S574-S577 PolarHBondContact O-OG 2.82Å; S574-A578 WeakPolarHBondContact O-CB 3.31Å; S574-A578 PolarHBondContact O-N 2.96Å |
| 575 | A | 50.1 | Low | 44.5 | Very low | 53 Ų | 53 | 76.3 Ų | 76.3 | 44% | 0.438 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E571 Q579 | E571-A575 VanDerWaalsContact O-CB 3.3Å; E571-A575 WeakPolarHBondContact O-CB 3.23Å; E571-A575 PolarHBondContact O-N 3.46Å; A575-Q579 WeakPolarHBondContact O-CG 3.38Å; A575-Q579 PolarHBondContact O-N 3.17Å |
| 576 | L | 51.1 | Low | 45.3 | Very low | 22 Ų | 22 | 79.9 Ų | 79.9 | 12% | 0.115 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -76.1 | -34.8 | -177.1 | -163.4 | 68.8 | 0 | 0 | 0 | 112.1 | T572 F573 S574 L580 I595 K598 L599 | T572-L576 WeakPolarHBondContact O-CB 3.22Å; T572-L576 PolarHBondContact O-N 2.95Å; F573-L576 PolarHBondContact O-N 3.4Å; S574-L576 VanDerWaalsContact C-N 3.31Å; S574-L576 PolarHBondContact O-N 2.88Å; L576-L580 WeakPolarHBondContact O-CB 3.45Å; L576-L580 PolarHBondContact O-N 3.46Å; L576-I595 HydrophobicContact CD1-CB 4.48Å; L576-I595 HydrophobicContact CD1-CG2 3.66Å; L576-I595 HydrophobicContact CG-CG2 3.66Å; L576-I595 VanDerWaalsContact O-CG2 3.24Å; L576-I595 WeakPolarHBondContact O-CG2 3.42Å; L576-K598 HydrophobicContact CD1-CB 4.21Å; L576-K598 HydrophobicContact CD1-CD 4.17Å; L576-K598 HydrophobicContact CD2-CB 3.53Å; L576-K598 HydrophobicContact CG-CB 4.47Å; L576-L599 HydrophobicContact CB-CD2 3.95Å; L576-L599 HydrophobicContact CB-CG 4.38Å; L576-L599 HydrophobicContact CD2-CB 4.21Å; L576-L599 HydrophobicContact CD2-CD2 3.65Å; L576-L599 HydrophobicContact CD2-CG 3.55Å; L576-L599 HydrophobicContact CG-CD2 3.96Å; L576-L599 HydrophobicContact CG-CG 3.86Å |
| 577 | S | 47.4 | Very low | 46 | Very low | 9 Ų | 9 | 85.6 Ų | 85.6 | 6% | 0.063 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 171.8 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | F565 F573 S574 Q579 L580 F581 | F565-S577 WeakPolarHBondContact CD1-OG 3.17Å; F565-S577 VanDerWaalsContact CE1-OG 3.25Å; F565-S577 WeakPolarHBondContact CE1-OG 3.47Å; F573-S577 PolarHBondContact O-N 3.4Å; F573-S577 PolarHBondContact O-OG 2.75Å; F573-S577 VanDerWaalsContact O-OG 3.14Å; S574-S577 PolarHBondContact O-N 2.97Å; S574-S577 PolarHBondContact O-OG 2.82Å; S577-Q579 PolarHBondContact O-N 3.15Å; S577-L580 WeakPolarHBondContact O-CB 3.22Å; S577-L580 PolarHBondContact O-N 2.73Å; S577-L580 VanDerWaalsContact O-N 3.14Å; S577-F581 WeakPolarHBondContact O-CD2 3.42Å; S577-F581 PolarHBondContact O-N 3.03Å |
| 578 | A | 50 | Low | 47.4 | Very low | 29 Ų | 29 | 79.8 Ų | 79.8 | 24% | 0.24 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S574 L580 F581 Q582 | S574-A578 WeakPolarHBondContact O-CB 3.31Å; S574-A578 PolarHBondContact O-N 2.96Å; A578-L580 VanDerWaalsContact C-N 3.31Å; A578-L580 PolarHBondContact O-N 3.18Å; A578-F581 PolarHBondContact O-N 2.75Å; A578-Q582 PolarHBondContact O-N 3.16Å |
| 579 | Q | 53.6 | Low | 48.4 | Very low | 101 Ų | 101 | 84.1 Ų | 84.1 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.4 | -37.1 | 173.2 | -78.3 | -179.2 | -13.7 | 0 | 0 | 112.6 | A575 S577 A583 I595 | A575-Q579 WeakPolarHBondContact O-CG 3.38Å; A575-Q579 PolarHBondContact O-N 3.17Å; S577-Q579 PolarHBondContact O-N 3.15Å; Q579-A583 WeakPolarHBondContact O-CB 3.23Å; Q579-A583 PolarHBondContact O-N 3.49Å; Q579-I595 HydrophobicContact CB-CD1 3.99Å |
| 580 | L | 50.8 | Low | 49.7 | Very low | 19 Ų | 19 | 87 Ų | 87 | 10% | 0.099 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 177.6 | -140.9 | 160.8 | 0 | 0 | 0 | 111.4 | L576 S577 A578 A583 F584 T592 I595 V596 L599 | L576-L580 WeakPolarHBondContact O-CB 3.45Å; L576-L580 PolarHBondContact O-N 3.46Å; S577-L580 WeakPolarHBondContact O-CB 3.22Å; S577-L580 PolarHBondContact O-N 2.73Å; S577-L580 VanDerWaalsContact O-N 3.14Å; A578-L580 VanDerWaalsContact C-N 3.31Å; A578-L580 PolarHBondContact O-N 3.18Å; L580-A583 PolarHBondContact O-N 2.95Å; L580-F584 HydrophobicContact CD2-CD2 3.59Å; L580-F584 HydrophobicContact CD2-CE2 3.19Å; L580-F584 HydrophobicContact CD2-CZ 4.13Å; L580-F584 VanDerWaalsContact O-CD2 3.3Å; L580-F584 WeakPolarHBondContact O-CD2 3.32Å; L580-F584 PolarHBondContact O-N 3.18Å; L580-T592 HydrophobicContact CD2-CG2 4.47Å; L580-I595 HydrophobicContact CB-CG2 3.74Å; L580-I595 HydrophobicContact CD1-CB 4.31Å; L580-I595 HydrophobicContact CD1-CG2 3.68Å; L580-I595 HydrophobicContact CG-CB 4.13Å; L580-I595 HydrophobicContact CG-CG2 3.66Å; L580-V596 HydrophobicContact CD1-CG2 3.81Å; L580-V596 HydrophobicContact CD2-CG2 4.33Å; L580-V596 HydrophobicContact CG-CG2 4.43Å; L580-L599 HydrophobicContact CD1-CD1 3.26Å; L580-L599 HydrophobicContact CD1-CG 4.42Å |
| 581 | F | 49.7 | Very low | 50.7 | Low | 132 Ų | 132 | 82.4 Ų | 82.4 | 58% | 0.579 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -68.4 | -39.7 | 176.1 | -86.7 | -74 | 0 | 0 | 0 | 112.9 | F565 S577 A578 A583 F584 S585 | F565-F581 HydrophobicContact CZ-CD2 4.34Å; F565-F581 HydrophobicContact CZ-CE2 4.02Å; S577-F581 WeakPolarHBondContact O-CD2 3.42Å; S577-F581 PolarHBondContact O-N 3.03Å; A578-F581 PolarHBondContact O-N 2.75Å; F581-A583 VanDerWaalsContact C-N 3.32Å; F581-A583 PolarHBondContact O-N 2.91Å; F581-F584 WeakPolarHBondContact O-CB 3.38Å; F581-F584 PolarHBondContact O-N 3.23Å; F581-S585 PolarHBondContact O-N 3.14Å |
| 582 | Q | 47.2 | Very low | 51.1 | Low | 112 Ų | 112 | 75.1 Ų | 75.1 | 52% | 0.523 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 171.1 | -83.8 | -176.3 | -16.5 | 0 | 0 | 111.8 | A578 F584 S585 H586 | A578-Q582 PolarHBondContact O-N 3.16Å; Q582-F584 VanDerWaalsContact C-N 3.26Å; Q582-F584 PolarHBondContact O-N 2.93Å; Q582-S585 PolarHBondContact O-N 3.3Å; Q582-S585 PolarHBondContact O-OG 2.98Å; Q582-H586 PolarHBondContact O-CD2 3.26Å; Q582-H586 VanDerWaalsContact O-CD2 3.24Å; Q582-H586 PolarHBondContact O-N 2.92Å |
| 583 | A | 50.5 | Low | 51.8 | Low | 10 Ų | 10 | 77.7 Ų | 77.7 | 8% | 0.083 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.5 | -33.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q579 L580 F581 R587 N588 A591 T592 I595 | Q579-A583 WeakPolarHBondContact O-CB 3.23Å; Q579-A583 PolarHBondContact O-N 3.49Å; L580-A583 PolarHBondContact O-N 2.95Å; F581-A583 VanDerWaalsContact C-N 3.32Å; F581-A583 PolarHBondContact O-N 2.91Å; A583-R587 PolarHBondContact O-N 2.84Å; A583-R587 VanDerWaalsContact O-N 3.15Å; A583-N588 PolarHBondContact O-N 2.97Å; A583-A591 HydrophobicContact CB-CB 4.15Å; A583-T592 HydrophobicContact CB-CG2 3.55Å; A583-I595 HydrophobicContact CB-CD1 4.28Å |
| 584 | F | 48.5 | Very low | 52.7 | Low | 115 Ų | 115 | 82 Ų | 82 | 50% | 0.504 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.1 | -46.1 | 170.6 | -85 | -59.4 | 0 | 0 | 0 | 113 | L580 F581 Q582 H586 R587 T592 | L580-F584 HydrophobicContact CD2-CD2 3.59Å; L580-F584 HydrophobicContact CD2-CE2 3.19Å; L580-F584 HydrophobicContact CD2-CZ 4.13Å; L580-F584 VanDerWaalsContact O-CD2 3.3Å; L580-F584 WeakPolarHBondContact O-CD2 3.32Å; L580-F584 PolarHBondContact O-N 3.18Å; F581-F584 WeakPolarHBondContact O-CB 3.38Å; F581-F584 PolarHBondContact O-N 3.23Å; Q582-F584 VanDerWaalsContact C-N 3.26Å; Q582-F584 PolarHBondContact O-N 2.93Å; F584-H586 PolarHBondContact O-N 3.08Å; F584-R587 PolarHBondContact O-N 2.81Å; F584-T592 HydrophobicContact CD1-CG2 4.25Å; F584-T592 HydrophobicContact CD2-CG2 4.44Å; F584-T592 HydrophobicContact CE1-CG2 4.33Å; F584-T592 HydrophobicContact CG-CG2 4.29Å; F584-T592 HydrophobicContact CZ-CG2 4.48Å |
| 585 | S | 42 | Very low | 53.2 | Low | 86 Ų | 86 | 81.9 Ų | 81.9 | 60% | 0.601 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.4 | -35.7 | -179.7 | 87.7 | 0 | 0 | 0 | 0 | 111.5 | F581 Q582 | F581-S585 PolarHBondContact O-N 3.14Å; Q582-S585 PolarHBondContact O-N 3.3Å; Q582-S585 PolarHBondContact O-OG 2.98Å |
| 586 | H | 52.5 | Low | 53.8 | Low | 148 Ų | 148 | 82.6 Ų | 82.6 | 69% | 0.685 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 5.5 | 175.3 | -68.5 | -65.6 | 0 | 0 | 0 | 114.6 | Q582 F584 N588 | Q582-H586 PolarHBondContact O-CD2 3.26Å; Q582-H586 VanDerWaalsContact O-CD2 3.24Å; Q582-H586 PolarHBondContact O-N 2.92Å; F584-H586 PolarHBondContact O-N 3.08Å; H586-N588 PolarHBondContact O-N 2.85Å |
| 587 | R | 52.8 | Low | 54.2 | Low | 208 Ų | 208 | 87 Ų | 87 | 79% | 0.785 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 32.2 | 178.9 | -57.2 | -178 | 175.3 | -176.9 | -1.5 | 114.4 | A583 F584 F589 | A583-R587 PolarHBondContact O-N 2.84Å; A583-R587 VanDerWaalsContact O-N 3.15Å; F584-R587 PolarHBondContact O-N 2.81Å; R587-F589 WeakPolarHBondContact O-CD2 3.29Å; R587-F589 PolarHBondContact O-N 2.9Å |
| 588 | N | 64.4 | Low | 54.8 | Low | 77 Ų | 77 | 92.5 Ų | 92.5 | 41% | 0.412 | 45% | 0.45 | S | S | . | . | trans | -92.5 | 84.8 | -178.2 | -168.1 | -5.4 | 0 | 0 | 0 | 111.7 | A583 H586 T590 A591 T592 | A583-N588 PolarHBondContact O-N 2.97Å; H586-N588 PolarHBondContact O-N 2.85Å; N588-T590 PolarHBondContact O-N 2.75Å; N588-T590 PolarHBondContact OD1-OG1 2.83Å; N588-A591 HydrophobicContact CB-CB 4.37Å; N588-A591 PolarHBondContact O-N 3.12Å; N588-T592 PolarHBondContact O-N 3.14Å | ||
| 589 | F | 57.7 | Low | 54.7 | Low | 158 Ų | 158 | 92.2 Ų | 92.2 | 69% | 0.693 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.3 | -18.9 | -173.7 | -71.9 | -79.9 | 0 | 0 | 0 | 115.7 | R587 T592 | R587-F589 WeakPolarHBondContact O-CD2 3.29Å; R587-F589 PolarHBondContact O-N 2.9Å; F589-T592 VanDerWaalsContact C-OG1 3.3Å; F589-T592 WeakPolarHBondContact CA-OG1 3.5Å; F589-T592 PolarHBondContact O-OG1 3.32Å |
| 590 | T | 60.3 | Low | 54.5 | Low | 111 Ų | 111 | 93.8 Ų | 93.8 | 68% | 0.681 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -79.7 | -44.4 | 177.7 | 52 | 0 | 0 | 0 | 0 | 111.3 | N588 T592 K593 E594 | N588-T590 PolarHBondContact O-N 2.75Å; N588-T590 PolarHBondContact OD1-OG1 2.83Å; T590-T592 PolarHBondContact O-N 2.77Å; T590-K593 PolarHBondContact O-N 2.77Å; T590-E594 PolarHBondContact O-N 2.57Å |
| 591 | A | 57.1 | Low | 54.4 | Low | 25 Ų | 25 | 98.3 Ų | 98.3 | 21% | 0.207 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A583 N588 K593 E594 I595 | A583-A591 HydrophobicContact CB-CB 4.15Å; N588-A591 HydrophobicContact CB-CB 4.37Å; N588-A591 PolarHBondContact O-N 3.12Å; A591-K593 VanDerWaalsContact C-N 3.31Å; A591-K593 PolarHBondContact O-N 3.29Å; A591-E594 PolarHBondContact O-N 2.67Å; A591-I595 VanDerWaalsContact O-CD1 3.31Å; A591-I595 WeakPolarHBondContact O-CD1 3.41Å; A591-I595 WeakPolarHBondContact O-CG1 3.5Å; A591-I595 PolarHBondContact O-N 3.46Å; A591-I595 VanDerWaalsContact O-N 3.14Å |
| 592 | T | 50.7 | Low | 54.2 | Low | 12 Ų | 12 | 94 Ų | 94 | 7% | 0.074 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 177.4 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | L580 A583 F584 N588 F589 T590 I595 V596 | L580-T592 HydrophobicContact CD2-CG2 4.47Å; A583-T592 HydrophobicContact CB-CG2 3.55Å; F584-T592 HydrophobicContact CD1-CG2 4.25Å; F584-T592 HydrophobicContact CD2-CG2 4.44Å; F584-T592 HydrophobicContact CE1-CG2 4.33Å; F584-T592 HydrophobicContact CG-CG2 4.29Å; F584-T592 HydrophobicContact CZ-CG2 4.48Å; N588-T592 PolarHBondContact O-N 3.14Å; F589-T592 VanDerWaalsContact C-OG1 3.3Å; F589-T592 WeakPolarHBondContact CA-OG1 3.5Å; F589-T592 PolarHBondContact O-OG1 3.32Å; T590-T592 PolarHBondContact O-N 2.77Å; T592-I595 PolarHBondContact O-N 3.5Å; T592-V596 VanDerWaalsContact O-CG2 3.24Å; T592-V596 WeakPolarHBondContact O-CG2 3.48Å; T592-V596 PolarHBondContact O-N 3.46Å |
| 593 | K | 57.9 | Low | 53.9 | Low | 146 Ų | 146 | 93.4 Ų | 93.4 | 64% | 0.635 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.9 | -43.6 | -178.6 | -166.8 | 178.1 | 178.5 | -175.8 | 0 | 112.6 | T590 A591 I595 E597 | T590-K593 PolarHBondContact O-N 2.77Å; A591-K593 VanDerWaalsContact C-N 3.31Å; A591-K593 PolarHBondContact O-N 3.29Å; K593-I595 VanDerWaalsContact C-N 3.35Å; K593-I595 PolarHBondContact O-N 3.5Å; K593-E597 PolarHBondContact O-N 3.09Å |
| 594 | E | 62.5 | Low | 53.3 | Low | 130 Ų | 130 | 97.5 Ų | 97.5 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.1 | -39.6 | 175.3 | -89.2 | -170.5 | 147.2 | 0 | 0 | 112.7 | T590 A591 E597 K598 | T590-E594 PolarHBondContact O-N 2.57Å; A591-E594 PolarHBondContact O-N 2.67Å; E594-E597 PolarHBondContact O-N 2.91Å; E594-K598 PolarHBondContact O-N 3.21Å; E594-K598 VanDerWaalsContact O-N 3.11Å |
| 595 | I | 60 | Low | 52.6 | Low | 17 Ų | 17 | 100.6 Ų | 100.6 | 9% | 0.087 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -71 | -39.3 | -178 | -62.2 | 165.4 | 0 | 0 | 0 | 110.5 | L576 Q579 L580 A583 A591 T592 K593 E597 K598 L599 | L576-I595 HydrophobicContact CD1-CB 4.48Å; L576-I595 HydrophobicContact CD1-CG2 3.66Å; L576-I595 HydrophobicContact CG-CG2 3.66Å; L576-I595 VanDerWaalsContact O-CG2 3.24Å; L576-I595 WeakPolarHBondContact O-CG2 3.42Å; Q579-I595 HydrophobicContact CB-CD1 3.99Å; L580-I595 HydrophobicContact CB-CG2 3.74Å; L580-I595 HydrophobicContact CD1-CB 4.31Å; L580-I595 HydrophobicContact CD1-CG2 3.68Å; L580-I595 HydrophobicContact CG-CB 4.13Å; L580-I595 HydrophobicContact CG-CG2 3.66Å; A583-I595 HydrophobicContact CB-CD1 4.28Å; A591-I595 VanDerWaalsContact O-CD1 3.31Å; A591-I595 WeakPolarHBondContact O-CD1 3.41Å; A591-I595 WeakPolarHBondContact O-CG1 3.5Å; A591-I595 PolarHBondContact O-N 3.46Å; A591-I595 VanDerWaalsContact O-N 3.14Å; T592-I595 PolarHBondContact O-N 3.5Å; K593-I595 VanDerWaalsContact C-N 3.35Å; K593-I595 PolarHBondContact O-N 3.5Å; I595-E597 PolarHBondContact O-N 3.07Å; I595-K598 PolarHBondContact O-N 2.75Å; I595-L599 PolarHBondContact O-N 3.36Å |
| 596 | V | 62.6 | Low | 52 | Low | 67 Ų | 67 | 102.7 Ų | 102.7 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 173.7 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | L580 T592 K598 L599 Q600 | L580-V596 HydrophobicContact CD1-CG2 3.81Å; L580-V596 HydrophobicContact CD2-CG2 4.33Å; L580-V596 HydrophobicContact CG-CG2 4.43Å; T592-V596 VanDerWaalsContact O-CG2 3.24Å; T592-V596 WeakPolarHBondContact O-CG2 3.48Å; T592-V596 PolarHBondContact O-N 3.46Å; V596-K598 VanDerWaalsContact C-N 3.31Å; V596-K598 PolarHBondContact O-N 3.27Å; V596-L599 PolarHBondContact O-N 3.06Å; V596-Q600 WeakPolarHBondContact O-CB 3.42Å; V596-Q600 PolarHBondContact O-N 3.45Å |
| 597 | E | 60 | Low | 50.7 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 176.5 | -81.1 | -178.1 | 174.8 | 0 | 0 | 112.2 | K593 E594 I595 N601 | K593-E597 PolarHBondContact O-N 3.09Å; E594-E597 PolarHBondContact O-N 2.91Å; I595-E597 PolarHBondContact O-N 3.07Å; E597-N601 PolarHBondContact O-N 3.42Å; E597-N601 VanDerWaalsContact O-N 3.15Å; E597-N601 PolarHBondContact O-ND2 3.06Å |
| 598 | K | 59.9 | Low | 49.6 | Very low | 124 Ų | 124 | 101.9 Ų | 101.9 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 174.7 | -77.1 | 178.6 | 179.1 | 171.5 | 0 | 112.7 | L576 E594 I595 V596 Q600 N601 S602 | L576-K598 HydrophobicContact CD1-CB 4.21Å; L576-K598 HydrophobicContact CD1-CD 4.17Å; L576-K598 HydrophobicContact CD2-CB 3.53Å; L576-K598 HydrophobicContact CG-CB 4.47Å; E594-K598 PolarHBondContact O-N 3.21Å; E594-K598 VanDerWaalsContact O-N 3.11Å; I595-K598 PolarHBondContact O-N 2.75Å; V596-K598 VanDerWaalsContact C-N 3.31Å; V596-K598 PolarHBondContact O-N 3.27Å; K598-Q600 VanDerWaalsContact C-N 3.34Å; K598-Q600 PolarHBondContact O-N 3.38Å; K598-N601 PolarHBondContact O-N 3.37Å; K598-S602 PolarHBondContact O-N 3.17Å; K598-S602 VanDerWaalsContact O-N 3.09Å |
| 599 | L | 47.3 | Very low | 47.7 | Very low | 23 Ų | 23 | 102.1 Ų | 102.1 | 12% | 0.12 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -62.9 | -43 | 177.5 | -81.9 | 174.5 | 0 | 0 | 0 | 111.2 | F573 L576 L580 I595 V596 N601 S602 L603 | F573-L599 HydrophobicContact CD1-CD2 4.23Å; F573-L599 HydrophobicContact CD2-CD2 3.68Å; F573-L599 HydrophobicContact CE1-CD2 4.01Å; F573-L599 HydrophobicContact CE2-CB 4.49Å; F573-L599 HydrophobicContact CE2-CD2 3.39Å; F573-L599 HydrophobicContact CG-CD2 4.09Å; F573-L599 HydrophobicContact CZ-CD2 3.59Å; L576-L599 HydrophobicContact CB-CD2 3.95Å; L576-L599 HydrophobicContact CB-CG 4.38Å; L576-L599 HydrophobicContact CD2-CB 4.21Å; L576-L599 HydrophobicContact CD2-CD2 3.65Å; L576-L599 HydrophobicContact CD2-CG 3.55Å; L576-L599 HydrophobicContact CG-CD2 3.96Å; L576-L599 HydrophobicContact CG-CG 3.86Å; L580-L599 HydrophobicContact CD1-CD1 3.26Å; L580-L599 HydrophobicContact CD1-CG 4.42Å; I595-L599 PolarHBondContact O-N 3.36Å; V596-L599 PolarHBondContact O-N 3.06Å; L599-N601 VanDerWaalsContact C-N 3.29Å; L599-N601 PolarHBondContact O-N 3.2Å; L599-S602 PolarHBondContact O-N 3.33Å; L599-S602 VanDerWaalsContact O-N 3.09Å; L599-L603 PolarHBondContact O-N 3.43Å |
| 600 | Q | 49.9 | Very low | 46.1 | Very low | 135 Ų | 135 | 100.5 Ų | 100.5 | 63% | 0.631 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.7 | -36.2 | 180 | -163.2 | 169.5 | -4 | 0 | 0 | 111.7 | V596 K598 | V596-Q600 WeakPolarHBondContact O-CB 3.42Å; V596-Q600 PolarHBondContact O-N 3.45Å; K598-Q600 VanDerWaalsContact C-N 3.34Å; K598-Q600 PolarHBondContact O-N 3.38Å |
| 601 | N | 48.4 | Very low | 44.5 | Very low | 114 Ų | 114 | 103 Ų | 103 | 61% | 0.61 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69 | -34.3 | 172.7 | -76.2 | -28.2 | 0 | 0 | 0 | 112.9 | E597 K598 L599 S604 | E597-N601 PolarHBondContact O-N 3.42Å; E597-N601 VanDerWaalsContact O-N 3.15Å; E597-N601 PolarHBondContact O-ND2 3.06Å; K598-N601 PolarHBondContact O-N 3.37Å; L599-N601 VanDerWaalsContact C-N 3.29Å; L599-N601 PolarHBondContact O-N 3.2Å; N601-S604 PolarHBondContact O-OG 3.34Å |
| 602 | S | 46.2 | Very low | 43.1 | Very low | 41 Ų | 41 | 107 Ų | 107 | 29% | 0.287 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.5 | -41.6 | 179.3 | -163.8 | 0 | 0 | 0 | 0 | 112.9 | K598 L599 S604 K605 | K598-S602 PolarHBondContact O-N 3.17Å; K598-S602 VanDerWaalsContact O-N 3.09Å; L599-S602 PolarHBondContact O-N 3.33Å; L599-S602 VanDerWaalsContact O-N 3.09Å; S602-S604 PolarHBondContact O-N 3.49Å; S602-K605 PolarHBondContact O-N 2.99Å |
| 603 | L | 40.4 | Very low | 42.3 | Very low | 99 Ų | 99 | 111.7 Ų | 111.7 | 52% | 0.518 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -58.6 | -30.1 | 177.8 | -74.8 | 166.8 | 0 | 0 | 0 | 112.7 | F573 L599 K605 | F573-L603 HydrophobicContact CE2-CD1 4.42Å; F573-L603 HydrophobicContact CE2-CD2 3.76Å; F573-L603 HydrophobicContact CE2-CG 3.7Å; F573-L603 HydrophobicContact CZ-CD1 4.22Å; F573-L603 HydrophobicContact CZ-CD2 3.68Å; F573-L603 HydrophobicContact CZ-CG 3.87Å; L599-L603 PolarHBondContact O-N 3.43Å; L603-K605 PolarHBondContact O-N 3.18Å |
| 604 | S | 38.3 | Very low | 41.7 | Very low | 96 Ų | 96 | 110.2 Ų | 110.2 | 67% | 0.671 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -9.8 | 179.5 | 73.5 | 0 | 0 | 0 | 0 | 114.6 | N601 S602 | N601-S604 PolarHBondContact O-OG 3.34Å; S602-S604 PolarHBondContact O-N 3.49Å |
| 605 | K | 33.7 | Very low | 41.5 | Very low | 180 Ų | 180 | 107.8 Ų | 107.8 | 78% | 0.783 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -0.9 | -175.6 | -79.6 | -174.9 | 177.4 | 177.4 | 0 | 115.5 | S602 L603 R607 | S602-K605 PolarHBondContact O-N 2.99Å; L603-K605 PolarHBondContact O-N 3.18Å; K605-R607 PolarHBondContact O-N 3.31Å |
| 606 | E | 29 | Very low | 41.9 | Very low | 131 Ų | 131 | 108.1 Ų | 108.1 | 61% | 0.612 | 60% | 0.599 | S | S | * | * | trans | -67.1 | 97.2 | 177.6 | -80.2 | -170.1 | 163.9 | 0 | 0 | 111.7 | A608 | E606-A608 PolarHBondContact O-N 3.34Š| ||
| 607 | R | 26.5 | Very low | 42.7 | Very low | 240 Ų | 240 | 106.8 Ų | 106.8 | 91% | 0.906 | 59% | 0.592 | S | S | * | * | trans | -78.8 | 111.3 | 156.4 | -82.9 | -179.8 | 170.2 | 169 | -2.4 | 106.9 | K605 A609 | K605-R607 PolarHBondContact O-N 3.31Å; R607-A609 PolarHBondContact O-N 3.11Å | ||
| 608 | A | 29.1 | Very low | 44 | Very low | 99 Ų | 99 | 101.8 Ų | 101.8 | 82% | 0.818 | 57% | 0.57 | S | S | * | * | trans | -47.4 | 106.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E606 | E606-A608 PolarHBondContact O-N 3.34Š| ||
| 609 | A | 24.5 | Very low | 45.5 | Very low | 81 Ų | 81 | 96 Ų | 96 | 67% | 0.669 | 55% | 0.545 | S | S | * | . | trans | -59.4 | 141.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | R607 L611 | R607-A609 PolarHBondContact O-N 3.11Å; A609-L611 PolarHBondContact O-N 3.22Å | ||
| 610 | P | 24.6 | Very low | 47.5 | Very low | 125 Ų | 125 | 95.6 Ų | 95.6 | 81% | 0.812 | 54% | 0.544 | S | S | * | . | trans | -61.8 | 110.7 | 176 | 25.2 | -30.4 | 0 | 0 | 0 | 107.3 | S612 | P610-S612 VanDerWaalsContact C-N 3.34Å; P610-S612 PolarHBondContact O-N 3.41Å | ||
| 611 | L | 25.6 | Very low | 49.4 | Very low | 163 Ų | 163 | 90 Ų | 90 | 85% | 0.853 | 52% | 0.518 | S | S | * | . | trans | -51.6 | 103.3 | 168.3 | -78.4 | 155.9 | 0 | 0 | 0 | 106.7 | A609 V613 | A609-L611 PolarHBondContact O-N 3.22Å; L611-V613 PolarHBondContact O-N 3.46Å | ||
| 612 | S | 27.7 | Very low | 51.2 | Low | 109 Ų | 109 | 85.5 Ų | 85.5 | 76% | 0.762 | 49% | 0.494 | S | S | * | . | trans | -62.7 | 100.5 | 161.2 | 53.6 | 0 | 0 | 0 | 0 | 104.5 | P610 S614 | P610-S612 VanDerWaalsContact C-N 3.34Å; P610-S612 PolarHBondContact O-N 3.41Å; S612-S614 VanDerWaalsContact C-N 3.28Å; S612-S614 PolarHBondContact O-N 3.34Å | ||
| 613 | V | 35.2 | Very low | 53.3 | Low | 111 Ų | 111 | 85.1 Ų | 85.1 | 67% | 0.673 | 49% | 0.49 | S | S | * | . | trans | -62.8 | 98.9 | 174.9 | -178.3 | 0 | 0 | 0 | 0 | 105.6 | L611 M615 | L611-V613 PolarHBondContact O-N 3.46Å; V613-M615 VanDerWaalsContact C-N 3.3Å; V613-M615 HydrophobicContact CG1-CG 4.31Å; V613-M615 HydrophobicContact CG1-SD 3.66Å; V613-M615 PolarHBondContact O-N 3.14Å | ||
| 614 | S | 44.6 | Very low | 55.4 | Low | 114 Ų | 114 | 80.5 Ų | 80.5 | 80% | 0.797 | 47% | 0.466 | S | S | * | . | trans | -67.3 | 97.5 | 169.8 | -178.6 | 0 | 0 | 0 | 0 | 106.1 | S612 | S612-S614 VanDerWaalsContact C-N 3.28Å; S612-S614 PolarHBondContact O-N 3.34Å | ||
| 615 | M | 57.5 | Low | 57.4 | Low | 80 Ų | 80 | 79.3 Ų | 79.3 | 39% | 0.394 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -71 | 139.8 | 174.5 | -67.4 | -64.2 | -53.9 | 0 | 0 | 108.6 | V613 I644 | V613-M615 VanDerWaalsContact C-N 3.3Å; V613-M615 HydrophobicContact CG1-CG 4.31Å; V613-M615 HydrophobicContact CG1-SD 3.66Å; V613-M615 PolarHBondContact O-N 3.14Å; M615-I644 HydrophobicContact CE-CD1 3.57Å; M615-I644 HydrophobicContact SD-CD1 4.46Å |
| 616 | A | 69.6 | Low | 59.5 | Low | 23 Ų | 23 | 71.4 Ų | 71.4 | 19% | 0.19 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -57 | 150.2 | 169 | 0 | 0 | 0 | 0 | 0 | 110.1 | S641 | A616-S641 WeakPolarHBondContact O-CB 3.49Å; A616-S641 PolarHBondContact O-OG 3.5Å |
| 617 | P | 79 | Confident | 61.7 | Low | 39 Ų | 39 | 72 Ų | 72 | 25% | 0.253 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 149.6 | 175.4 | 30.4 | -36.8 | 0 | 0 | 0 | 110.7 | R367 M370 L619 N638 | R367-P617 HydrophobicContact CG-CG 4.39Å; M370-P617 HydrophobicContact CE-CB 4.09Å; P617-L619 WeakPolarHBondContact CB-O 3.18Å; P617-L619 WeakPolarHBondContact CG-O 3.44Å; P617-L619 PolarHBondContact O-N 2.97Å; P617-L619 VanDerWaalsContact O-N 3.15Å; P617-N638 WeakPolarHBondContact O-CB 3.23Å |
| 618 | P | 87.8 | Confident | 64.2 | Low | 11 Ų | 11 | 62.9 Ų | 62.9 | 7% | 0.071 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -63.9 | -19.4 | 177.8 | 26.7 | -36.1 | 0 | 0 | 0 | 113.6 | M370 F637 N638 L642 I689 | M370-P618 HydrophobicContact CE-CG 3.91Å; P618-F637 WeakPolarHBondContact O-CA 3.48Å; P618-N638 PolarHBondContact O-N 3.41Å; P618-L642 HydrophobicContact CB-CB 3.92Å; P618-L642 HydrophobicContact CB-CD1 4.09Å; P618-I689 HydrophobicContact CB-CD1 4.42Å; P618-I689 HydrophobicContact CG-CD1 3.96Å |
| 619 | L | 91.2 | Very high | 66.9 | Low | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.016 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.2 | 178.5 | -172 | 73.8 | 0 | 0 | 0 | 108.8 | F365 M370 A386 L390 P617 V635 F636 F637 I689 | F365-L619 WeakPolarHBondContact CE1-O 3.43Å; F365-L619 HydrophobicContact CZ-CD2 4.36Å; F365-L619 HydrophobicContact CZ-CG 4.49Å; M370-L619 HydrophobicContact SD-CB 4.41Å; A386-L619 HydrophobicContact CB-CD2 3.87Å; L390-L619 HydrophobicContact CD1-CD1 4.25Å; L390-L619 HydrophobicContact CD1-CD2 4.09Å; P617-L619 WeakPolarHBondContact CB-O 3.18Å; P617-L619 WeakPolarHBondContact CG-O 3.44Å; P617-L619 PolarHBondContact O-N 2.97Å; P617-L619 VanDerWaalsContact O-N 3.15Å; L619-V635 HydrophobicContact CD1-CG1 3.54Å; L619-V635 HydrophobicContact CG-CG1 4.46Å; L619-F636 CarbonylContact C-O 3.59Å; L619-F636 WeakPolarHBondContact CA-O 3.19Å; L619-F637 HydrophobicContact CD1-CD1 3.77Å; L619-F637 HydrophobicContact CD1-CE1 3.57Å; L619-F637 HydrophobicContact CD1-CE2 4.33Å; L619-F637 HydrophobicContact CD1-CG 4.26Å; L619-F637 HydrophobicContact CD1-CZ 3.87Å; L619-I689 HydrophobicContact CB-CD1 4.01Å |
| 620 | S | 88.9 | Confident | 69.9 | Low | 13 Ų | 13 | 56.1 Ų | 56.1 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 165.7 | 166.1 | 65.6 | 0 | 0 | 0 | 0 | 110.8 | F636 | S620-F636 PolarHBondContact N-O 2.91Å; S620-F636 PolarHBondContact O-N 3.36Å; S620-F636 WeakPolarHBondContact OG-CB 3.41Å |
| 621 | L | 89.8 | Confident | 72.8 | Confident | 19 Ų | 19 | 50.4 Ų | 50.4 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 137 | -172.7 | -179.1 | 154.4 | 0 | 0 | 0 | 110.5 | M345 T363 F365 I372 V634 V635 | M345-L621 HydrophobicContact CE-CD1 3.73Å; M345-L621 HydrophobicContact SD-CD1 3.77Å; T363-L621 HydrophobicContact CG2-CD2 3.87Å; F365-L621 HydrophobicContact CB-CB 4.16Å; F365-L621 HydrophobicContact CG-CB 4.23Å; I372-L621 HydrophobicContact CD1-CD1 3.77Å; I372-L621 HydrophobicContact CG1-CD1 4.4Å; L621-V634 CarbonylContact C-O 3.51Å; L621-V634 WeakPolarHBondContact CA-O 3.41Å; L621-V635 HydrophobicContact CD1-CG2 4.32Å |
| 622 | L | 86.7 | Confident | 75.8 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 10% | 0.099 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 111.9 | 178.7 | 179.3 | 56.1 | 0 | 0 | 0 | 109.9 | L6 F11 V634 F636 | L6-L622 HydrophobicContact CD2-CD2 3.82Å; L6-L622 HydrophobicContact CD2-CG 4.5Å; F11-L622 HydrophobicContact CE2-CB 4.31Å; F11-L622 HydrophobicContact CE2-CD1 3.74Å; F11-L622 HydrophobicContact CE2-CD2 4.02Å; F11-L622 HydrophobicContact CE2-CG 4.24Å; F11-L622 HydrophobicContact CZ-CB 3.71Å; F11-L622 HydrophobicContact CZ-CD1 4Å; F11-L622 HydrophobicContact CZ-CD2 4.08Å; F11-L622 HydrophobicContact CZ-CG 4.14Å; L622-V634 HydrophobicContact CB-CB 4.36Å; L622-V634 PolarHBondContact N-O 3.24Å; L622-V634 PolarHBondContact O-N 3.18Å; L622-F636 HydrophobicContact CB-CE2 3.79Å; L622-F636 HydrophobicContact CD2-CE2 4.14Å; L622-F636 HydrophobicContact CD2-CZ 4.48Å |
| 623 | P | 89.5 | Confident | 78.9 | Confident | 32 Ų | 32 | 37.7 Ų | 37.7 | 21% | 0.208 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 137.4 | 166.4 | 31.5 | -31.8 | 0 | 0 | 0 | 110.1 | V630 | P623-V630 HydrophobicContact CB-CG1 3.78Å; P623-V630 HydrophobicContact CB-CG2 4.33Å |
| 624 | I | 84.9 | Confident | 81.5 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.4 | 170.1 | -63.5 | 166.8 | 0 | 0 | 0 | 107 | M73 V630 D631 T632 V634 L736 | M73-I624 HydrophobicContact CE-CD1 3.92Å; M73-I624 HydrophobicContact CE-CG1 4.07Å; M73-I624 HydrophobicContact CE-CG2 3.68Å; M73-I624 HydrophobicContact SD-CD1 3.55Å; M73-I624 VanDerWaalsContact SD-CD1 3.55Å; M73-I624 HydrophobicContact SD-CG1 4.31Å; I624-V630 WeakPolarHBondContact O-CA 3.38Å; I624-D631 PolarHBondContact O-N 3.15Å; I624-D631 VanDerWaalsContact O-N 3.08Å; I624-T632 HydrophobicContact CD1-CG2 4.39Å; I624-T632 PolarHBondContact N-O 2.9Å; I624-V634 HydrophobicContact CD1-CG2 3.67Å; I624-V634 HydrophobicContact CG1-CG2 4.48Å; I624-L736 HydrophobicContact CD1-CD1 3.47Å; I624-L736 VanDerWaalsContact CD1-CD1 3.47Å |
| 625 | I | 80.8 | Confident | 83.8 | Confident | 72 Ų | 72 | 27 Ų | 27 | 37% | 0.369 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133 | -174.6 | -52.9 | -177.3 | 0 | 0 | 0 | 108.6 | V629 V630 | I625-V629 WeakPolarHBondContact CA-O 3.38Å; I625-V630 HydrophobicContact CD1-CG2 4.43Å; I625-V630 HydrophobicContact CG1-CG2 4.04Å |
| 626 | A | 76.5 | Confident | 85.3 | Confident | 14 Ų | 14 | 23.4 Ų | 23.4 | 12% | 0.116 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 128.3 | 171 | 0 | 0 | 0 | 0 | 0 | 108.7 | G628 V629 D631 | A626-G628 VanDerWaalsContact C-N 3.27Å; A626-G628 PolarHBondContact O-N 3.34Å; A626-V629 PolarHBondContact N-O 3.09Å; A626-V629 PolarHBondContact O-N 2.98Å; A626-V629 VanDerWaalsContact O-O 3.06Å; A626-D631 WeakPolarHBondContact CB-OD2 3.46Å |
| 627 | N | 75.8 | Confident | 86.4 | Confident | 142 Ų | 142 | 22.3 Ų | 22.3 | 76% | 0.759 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 42 | 179.5 | -56 | -30.2 | 0 | 0 | 0 | 114 | S31 V629 | S31-N627 PolarHBondContact OG-ND2 3.02Å; N627-V629 VanDerWaalsContact C-N 3.25Å; N627-V629 PolarHBondContact O-N 2.75Å |
| 628 | G | 79.6 | Confident | 86.9 | Confident | 49 Ų | 49 | 20.6 Ų | 20.6 | 51% | 0.505 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T361 A626 | T361-G628 WeakPolarHBondContact CA-O 3.28Å; A626-G628 VanDerWaalsContact C-N 3.27Å; A626-G628 PolarHBondContact O-N 3.34Å |
| 629 | V | 86 | Confident | 86.9 | Confident | 36 Ų | 36 | 20.1 Ų | 20.1 | 22% | 0.218 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.9 | 177.5 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | N359 I625 A626 N627 D631 | N359-V629 HydrophobicContact CB-CG1 4.06Å; N359-V629 HydrophobicContact CB-CG2 4.48Å; I625-V629 WeakPolarHBondContact CA-O 3.38Å; A626-V629 PolarHBondContact N-O 3.09Å; A626-V629 PolarHBondContact O-N 2.98Å; A626-V629 VanDerWaalsContact O-O 3.06Å; N627-V629 VanDerWaalsContact C-N 3.25Å; N627-V629 PolarHBondContact O-N 2.75Å; V629-D631 PolarHBondContact O-N 3.09Å |
| 630 | V | 86.9 | Confident | 86.6 | Confident | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 106.6 | 171.9 | -171.5 | 0 | 0 | 0 | 0 | 108.6 | I360 P623 I624 I625 H633 | I360-V630 HydrophobicContact CB-CB 4.31Å; I360-V630 HydrophobicContact CB-CG2 4.41Å; I360-V630 HydrophobicContact CG2-CB 4.08Å; I360-V630 HydrophobicContact CG2-CG2 3.75Å; I360-V630 PolarHBondContact O-N 3.03Å; P623-V630 HydrophobicContact CB-CG1 3.78Å; P623-V630 HydrophobicContact CB-CG2 4.33Å; I624-V630 WeakPolarHBondContact O-CA 3.38Å; I625-V630 HydrophobicContact CD1-CG2 4.43Å; I625-V630 HydrophobicContact CG1-CG2 4.04Å; V630-H633 WeakPolarHBondContact CG1-CE1 3.46Å; V630-H633 WeakPolarHBondContact CG1-NE2 3.38Å |
| 631 | D | 85.1 | Confident | 86.4 | Confident | 5 Ų | 5 | 20.4 Ų | 20.4 | 3% | 0.027 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -24.6 | -179.6 | 67.8 | 13.1 | 0 | 0 | 0 | 112.4 | S26 P30 R54 I624 A626 V629 | S26-D631 WeakPolarHBondContact CB-O 3.39Å; S26-D631 PolarHBondContact N-O 2.97Å; S26-D631 WeakPolarHBondContact OG-CA 3.2Å; S26-D631 PolarHBondContact OG-O 2.84Å; P30-D631 WeakPolarHBondContact CA-OD2 3.49Å; R54-D631 IonicContact CZ-OD2 3.61Å; R54-D631 IonicContact NH1-OD1 3.48Å; R54-D631 IonicContact NH1-OD2 3.23Å; R54-D631 PolarHBondContact NH1-OD2 3.39Å; R54-D631 IonicContact NH2-OD2 2.73Å; I624-D631 PolarHBondContact O-N 3.15Å; I624-D631 VanDerWaalsContact O-N 3.08Å; A626-D631 WeakPolarHBondContact CB-OD2 3.46Å; V629-D631 PolarHBondContact O-N 3.09Å |
| 632 | T | 89.4 | Confident | 86.4 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 140.9 | -172.3 | -41.8 | 0 | 0 | 0 | 0 | 111 | V23 W25 I624 L736 | V23-T632 HydrophobicContact CG1-CG2 3.46Å; V23-T632 VanDerWaalsContact CG1-CG2 3.46Å; W25-T632 HydrophobicContact CD2-CG2 4.2Å; W25-T632 HydrophobicContact CE3-CG2 3.76Å; W25-T632 HydrophobicContact CH2-CG2 4.41Å; W25-T632 HydrophobicContact CZ3-CG2 3.86Å; W25-T632 VanDerWaalsContact CZ3-OG1 3.27Å; W25-T632 WeakPolarHBondContact CZ3-OG1 3.42Å; I624-T632 HydrophobicContact CD1-CG2 4.39Å; I624-T632 PolarHBondContact N-O 2.9Å; T632-L736 HydrophobicContact CG2-CD1 4.39Å |
| 633 | H | 91.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.5 | 166.9 | -63.6 | 92.2 | 0 | 0 | 0 | 109.9 | V24 M345 T363 F374 V630 | V24-H633 HydrophobicContact CB-CB 4.33Å; V24-H633 PolarHBondContact N-O 3.15Å; V24-H633 PolarHBondContact O-N 3.33Å; M345-H633 HydrophobicContact CG-CB 4.08Å; M345-H633 HydrophobicContact SD-CB 3.56Å; M345-H633 VanDerWaalsContact SD-CB 3.56Å; T363-H633 PolarHBondContact OG1-NE2 3.32Å; F374-H633 AromaticContact CE1-NE2 3.95Å; V630-H633 WeakPolarHBondContact CG1-CE1 3.46Å; V630-H633 WeakPolarHBondContact CG1-NE2 3.38Å |
| 634 | V | 90.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.8 | 174.1 | -170.6 | 0 | 0 | 0 | 0 | 108.8 | A21 L621 L622 I624 F636 L736 | A21-V634 HydrophobicContact CB-CG1 3.85Å; L621-V634 CarbonylContact C-O 3.51Å; L621-V634 WeakPolarHBondContact CA-O 3.41Å; L622-V634 HydrophobicContact CB-CB 4.36Å; L622-V634 PolarHBondContact N-O 3.24Å; L622-V634 PolarHBondContact O-N 3.18Å; I624-V634 HydrophobicContact CD1-CG2 3.67Å; I624-V634 HydrophobicContact CG1-CG2 4.48Å; V634-F636 HydrophobicContact CB-CE2 4.05Å; V634-F636 HydrophobicContact CB-CZ 4.11Å; V634-F636 HydrophobicContact CG1-CD1 4.45Å; V634-F636 HydrophobicContact CG1-CD2 4.39Å; V634-F636 HydrophobicContact CG1-CE1 3.8Å; V634-F636 HydrophobicContact CG1-CE2 3.75Å; V634-F636 HydrophobicContact CG1-CZ 3.43Å; V634-F636 VanDerWaalsContact CG1-CZ 3.43Å; V634-L736 HydrophobicContact CG1-CD2 4.19Å; V634-L736 HydrophobicContact CG2-CD1 3.95Å; V634-L736 HydrophobicContact CG2-CD2 3.67Å |
| 635 | V | 92 | Very high | 86 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 117.8 | -176.6 | -177 | 0 | 0 | 0 | 0 | 108.3 | A21 V22 V24 L390 L619 L621 F637 | A21-V635 CarbonylContact C-O 3.22Å; A21-V635 WeakPolarHBondContact CA-O 3.48Å; V22-V635 HydrophobicContact CB-CB 4.47Å; V22-V635 PolarHBondContact N-O 2.99Å; V22-V635 PolarHBondContact O-N 3.5Å; V24-V635 HydrophobicContact CG2-CG2 4.3Å; L390-V635 HydrophobicContact CD1-CG1 3.77Å; L390-V635 HydrophobicContact CD2-CG1 4.31Å; L390-V635 HydrophobicContact CD2-CG2 3.65Å; L619-V635 HydrophobicContact CD1-CG1 3.54Å; L619-V635 HydrophobicContact CG-CG1 4.46Å; L621-V635 HydrophobicContact CD1-CG2 4.32Å; V635-F637 HydrophobicContact CB-CE2 4.37Å; V635-F637 HydrophobicContact CG1-CD2 4.37Å; V635-F637 HydrophobicContact CG1-CE2 3.68Å; V635-F637 HydrophobicContact CG1-CZ 3.97Å |
| 636 | F | 90.8 | Very high | 86.3 | Confident | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.018 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.3 | -178.5 | -63.5 | -77.5 | 0 | 0 | 0 | 111 | F11 M14 T19 L20 A21 L619 S620 L622 V634 V728 | F11-F636 HydrophobicContact CD1-CD2 4.42Å; F11-F636 HydrophobicContact CD1-CE2 4.32Å; F11-F636 AromaticContact CE1-CD2 3.64Å; F11-F636 HydrophobicContact CE1-CD2 3.64Å; F11-F636 AromaticContact CE1-CE2 3.64Å; F11-F636 HydrophobicContact CE1-CE2 3.64Å; F11-F636 HydrophobicContact CZ-CD2 4.38Å; F11-F636 HydrophobicContact CZ-CE2 4.12Å; M14-F636 HydrophobicContact CE-CD1 4.31Å; M14-F636 HydrophobicContact CE-CG 4.3Å; T19-F636 HydrophobicContact CG2-CB 3.78Å; T19-F636 HydrophobicContact CG2-CD1 3.86Å; T19-F636 HydrophobicContact CG2-CG 4.23Å; L20-F636 CarbonylContact O-C 3.51Å; L20-F636 VanDerWaalsContact O-CA 3.27Å; L20-F636 WeakPolarHBondContact O-CA 3.45Å; A21-F636 HydrophobicContact CB-CD1 3.63Å; A21-F636 HydrophobicContact CB-CE1 3.49Å; A21-F636 VanDerWaalsContact CB-CE1 3.49Å; A21-F636 HydrophobicContact CB-CZ 4.47Å; L619-F636 CarbonylContact C-O 3.59Å; L619-F636 WeakPolarHBondContact CA-O 3.19Å; S620-F636 PolarHBondContact N-O 2.91Å; S620-F636 PolarHBondContact O-N 3.36Å; S620-F636 WeakPolarHBondContact OG-CB 3.41Å; L622-F636 HydrophobicContact CB-CE2 3.79Å; L622-F636 HydrophobicContact CD2-CE2 4.14Å; L622-F636 HydrophobicContact CD2-CZ 4.48Å; V634-F636 HydrophobicContact CB-CE2 4.05Å; V634-F636 HydrophobicContact CB-CZ 4.11Å; V634-F636 HydrophobicContact CG1-CD1 4.45Å; V634-F636 HydrophobicContact CG1-CD2 4.39Å; V634-F636 HydrophobicContact CG1-CE1 3.8Å; V634-F636 HydrophobicContact CG1-CE2 3.75Å; V634-F636 HydrophobicContact CG1-CZ 3.43Å; V634-F636 VanDerWaalsContact CG1-CZ 3.43Å; F636-V728 HydrophobicContact CD1-CG2 4.5Å; F636-V728 HydrophobicContact CE1-CG2 3.49Å; F636-V728 VanDerWaalsContact CE1-CG2 3.49Å; F636-V728 HydrophobicContact CZ-CG2 4.06Å |
| 637 | F | 91.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 114.1 | 174.3 | -63.5 | -97.9 | 0 | 0 | 0 | 109 | T19 L20 V22 P618 L619 V635 M639 I689 L692 L693 L696 | T19-F637 WeakPolarHBondContact CA-O 3.43Å; L20-F637 HydrophobicContact CB-CB 4.43Å; L20-F637 PolarHBondContact N-O 3.01Å; L20-F637 PolarHBondContact O-N 3.28Å; V22-F637 HydrophobicContact CB-CE2 4.15Å; V22-F637 HydrophobicContact CG2-CD2 4.16Å; V22-F637 HydrophobicContact CG2-CE2 3.68Å; P618-F637 WeakPolarHBondContact O-CA 3.48Å; L619-F637 HydrophobicContact CD1-CD1 3.77Å; L619-F637 HydrophobicContact CD1-CE1 3.57Å; L619-F637 HydrophobicContact CD1-CE2 4.33Å; L619-F637 HydrophobicContact CD1-CG 4.26Å; L619-F637 HydrophobicContact CD1-CZ 3.87Å; V635-F637 HydrophobicContact CB-CE2 4.37Å; V635-F637 HydrophobicContact CG1-CD2 4.37Å; V635-F637 HydrophobicContact CG1-CE2 3.68Å; V635-F637 HydrophobicContact CG1-CZ 3.97Å; F637-M639 PolarHBondContact O-N 3.18Å; F637-I689 HydrophobicContact CD1-CG2 3.85Å; F637-I689 HydrophobicContact CE1-CG2 4.02Å; F637-L692 HydrophobicContact CE1-CD2 4.19Å; F637-L692 HydrophobicContact CE1-CG 4.49Å; F637-L692 HydrophobicContact CZ-CD2 4.09Å; F637-L692 HydrophobicContact CZ-CG 4.39Å; F637-L693 HydrophobicContact CB-CD1 4.16Å; F637-L693 HydrophobicContact CB-CD2 3.78Å; F637-L693 HydrophobicContact CD1-CB 3.96Å; F637-L693 HydrophobicContact CD1-CD1 4.01Å; F637-L693 HydrophobicContact CD1-CD2 3.95Å; F637-L693 HydrophobicContact CD1-CG 4.2Å; F637-L693 HydrophobicContact CD2-CD1 3.92Å; F637-L693 HydrophobicContact CE1-CB 4.06Å; F637-L693 HydrophobicContact CE1-CD1 4.36Å; F637-L693 HydrophobicContact CE2-CD1 4.29Å; F637-L693 HydrophobicContact CG-CD1 3.76Å; F637-L693 HydrophobicContact CG-CD2 4Å; F637-L693 HydrophobicContact CG-CG 4.34Å; F637-L693 HydrophobicContact CZ-CD1 4.5Å; F637-L696 HydrophobicContact CZ-CD1 4.45Å |
| 638 | N | 89 | Confident | 86.3 | Confident | 3 Ų | 3 | 12.9 Ų | 12.9 | 2% | 0.016 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 108.2 | 173.7 | -177.3 | -46.6 | 0 | 0 | 0 | 108.8 | D17 P617 P618 E640 S641 L642 | D17-N638 PolarHBondContact OD2-ND2 3Å; P617-N638 WeakPolarHBondContact O-CB 3.23Å; P618-N638 PolarHBondContact O-N 3.41Å; N638-E640 PolarHBondContact OD1-N 2.9Å; N638-S641 VanDerWaalsContact CG-OG 3.26Å; N638-S641 PolarHBondContact ND2-OG 3.18Å; N638-S641 WeakPolarHBondContact OD1-CB 3.32Å; N638-S641 PolarHBondContact OD1-N 3.07Å; N638-S641 PolarHBondContact OD1-OG 3.07Å; N638-L642 WeakPolarHBondContact O-CB 3.49Å; N638-L642 PolarHBondContact O-N 3.49Å |
| 639 | M | 88.2 | Confident | 86 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.7 | -41.2 | -173.5 | -73.2 | -62.7 | -54.5 | 0 | 0 | 113.1 | L18 L20 F637 L642 I643 L693 A768 S771 L772 | L18-M639 HydrophobicContact CB-CB 4.05Å; L18-M639 HydrophobicContact CB-CG 4.39Å; L18-M639 HydrophobicContact CD2-CB 3.9Å; L18-M639 HydrophobicContact CD2-CG 3.78Å; L18-M639 HydrophobicContact CG-CB 3.97Å; L18-M639 HydrophobicContact CG-CG 3.79Å; L18-M639 VanDerWaalsContact O-CB 3.24Å; L18-M639 WeakPolarHBondContact O-CB 3.42Å; L18-M639 WeakPolarHBondContact O-CG 3.27Å; L18-M639 PolarHBondContact O-N 2.87Å; L20-M639 HydrophobicContact CD1-SD 4.43Å; F637-M639 PolarHBondContact O-N 3.18Å; M639-L642 PolarHBondContact O-N 3.41Å; M639-I643 HydrophobicContact CE-CD1 4.21Å; M639-I643 WeakPolarHBondContact O-CB 3.45Å; M639-I643 VanDerWaalsContact O-CG1 3.31Å; M639-I643 WeakPolarHBondContact O-CG1 3.27Å; M639-I643 PolarHBondContact O-N 2.68Å; M639-L693 HydrophobicContact SD-CD2 3.43Å; M639-L693 WeakPolarHBondContact SD-CD2 3.23Å; M639-A768 VanDerWaalsContact CE-CA 3.45Å; M639-A768 HydrophobicContact CE-CB 3.62Å; M639-A768 WeakPolarHBondContact CE-O 3.46Å; M639-A768 HydrophobicContact CG-CB 4.04Å; M639-A768 HydrophobicContact SD-CB 3.54Å; M639-A768 VanDerWaalsContact SD-CB 3.54Å; M639-S771 WeakPolarHBondContact CE-OG 3.31Å; M639-L772 HydrophobicContact CE-CD1 3.5Å; M639-L772 HydrophobicContact CE-CD2 4.28Å; M639-L772 HydrophobicContact CE-CG 3.45Å; M639-L772 VanDerWaalsContact CE-CG 3.45Å; M639-L772 HydrophobicContact SD-CD1 4Å |
| 640 | E | 84.5 | Confident | 85.2 | Confident | 20 Ų | 20 | 11.7 Ų | 11.7 | 9% | 0.093 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.3 | -46.4 | -178.5 | -67.1 | -175.8 | -146.6 | 0 | 0 | 110.4 | D17 N638 L642 I643 I644 R875 C880 | D17-E640 WeakPolarHBondContact CA-OE1 3.5Å; N638-E640 PolarHBondContact OD1-N 2.9Å; E640-L642 VanDerWaalsContact C-N 3.32Å; E640-L642 PolarHBondContact O-N 3.41Å; E640-I643 PolarHBondContact O-N 3.25Å; E640-I644 WeakPolarHBondContact O-CB 3.43Å; E640-I644 WeakPolarHBondContact O-CD1 3.28Å; E640-I644 VanDerWaalsContact O-CG1 3.24Å; E640-I644 WeakPolarHBondContact O-CG1 3.32Å; E640-I644 PolarHBondContact O-N 2.86Å; E640-R875 IonicContact OE1-NH1 2.93Å; E640-R875 PolarHBondContact OE1-NH1 3.23Å; E640-C880 HydrophobicContact CG-CB 4.37Å |
| 641 | S | 84.6 | Confident | 84 | Confident | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.014 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.2 | -37.7 | 178 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | A616 N638 S645 | A616-S641 WeakPolarHBondContact O-CB 3.49Å; A616-S641 PolarHBondContact O-OG 3.5Å; N638-S641 VanDerWaalsContact CG-OG 3.26Å; N638-S641 PolarHBondContact ND2-OG 3.18Å; N638-S641 WeakPolarHBondContact OD1-CB 3.32Å; N638-S641 PolarHBondContact OD1-N 3.07Å; N638-S641 PolarHBondContact OD1-OG 3.07Å; S641-S645 VanDerWaalsContact O-CB 3.26Å; S641-S645 WeakPolarHBondContact O-CB 3.49Å; S641-S645 PolarHBondContact O-N 3.41Å; S641-S645 PolarHBondContact O-OG 3.44Å |
| 642 | L | 90.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.5 | -47.4 | 174.8 | -178.2 | 60.4 | 0 | 0 | 0 | 112.3 | P618 N638 M639 E640 S645 L646 C686 I689 A690 L693 L772 | P618-L642 HydrophobicContact CB-CB 3.92Å; P618-L642 HydrophobicContact CB-CD1 4.09Å; N638-L642 WeakPolarHBondContact O-CB 3.49Å; N638-L642 PolarHBondContact O-N 3.49Å; M639-L642 PolarHBondContact O-N 3.41Å; E640-L642 VanDerWaalsContact C-N 3.32Å; E640-L642 PolarHBondContact O-N 3.41Å; L642-S645 PolarHBondContact O-N 3.03Å; L642-L646 HydrophobicContact CD1-CD1 4.45Å; L642-L646 HydrophobicContact CD1-CG 4.38Å; L642-L646 HydrophobicContact CG-CD1 4.25Å; L642-L646 VanDerWaalsContact O-CG 3.3Å; L642-L646 WeakPolarHBondContact O-CG 3.42Å; L642-L646 PolarHBondContact O-N 2.76Å; L642-C686 HydrophobicContact CD1-CB 4.43Å; L642-C686 WeakPolarHBondContact CD1-O 3.27Å; L642-I689 HydrophobicContact CD1-CB 4.09Å; L642-I689 HydrophobicContact CD1-CG2 3.84Å; L642-I689 HydrophobicContact CD2-CG2 4.08Å; L642-A690 HydrophobicContact CD1-CB 4.29Å; L642-A690 HydrophobicContact CD2-CB 4.32Å; L642-L693 HydrophobicContact CD2-CD2 4.03Å; L642-L772 HydrophobicContact CD2-CD1 4.19Å; L642-L772 HydrophobicContact CD2-CD2 3.99Å; L642-L772 HydrophobicContact CG-CD2 4.24Å |
| 643 | I | 88.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 178.5 | -72.3 | 163.6 | 0 | 0 | 0 | 110.6 | M639 E640 S645 L646 L647 L772 T775 Q882 | M639-I643 HydrophobicContact CE-CD1 4.21Å; M639-I643 WeakPolarHBondContact O-CB 3.45Å; M639-I643 VanDerWaalsContact O-CG1 3.31Å; M639-I643 WeakPolarHBondContact O-CG1 3.27Å; M639-I643 PolarHBondContact O-N 2.68Å; E640-I643 PolarHBondContact O-N 3.25Å; I643-S645 VanDerWaalsContact C-N 3.33Å; I643-S645 PolarHBondContact O-N 3.24Å; I643-L646 PolarHBondContact O-N 3.35Å; I643-L647 HydrophobicContact CG2-CD1 3.85Å; I643-L647 HydrophobicContact CG2-CG 4.49Å; I643-L647 VanDerWaalsContact O-CG 3.26Å; I643-L647 WeakPolarHBondContact O-CG 3.4Å; I643-L647 PolarHBondContact O-N 2.91Å; I643-L772 HydrophobicContact CG1-CD2 4.08Å; I643-T775 HydrophobicContact CG2-CG2 4.11Å; I643-Q882 HydrophobicContact CD1-CB 4.45Å; I643-Q882 HydrophobicContact CG2-CG 4.5Å |
| 644 | I | 81.8 | Confident | 78.3 | Confident | 35 Ų | 35 | 20.7 Ų | 20.7 | 18% | 0.179 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 177.2 | -69.4 | 163.9 | 0 | 0 | 0 | 110 | M615 E640 L646 L647 V648 | M615-I644 HydrophobicContact CE-CD1 3.57Å; M615-I644 HydrophobicContact SD-CD1 4.46Å; E640-I644 WeakPolarHBondContact O-CB 3.43Å; E640-I644 WeakPolarHBondContact O-CD1 3.28Å; E640-I644 VanDerWaalsContact O-CG1 3.24Å; E640-I644 WeakPolarHBondContact O-CG1 3.32Å; E640-I644 PolarHBondContact O-N 2.86Å; I644-L646 PolarHBondContact O-N 3.27Å; I644-L647 PolarHBondContact O-N 3.36Å; I644-V648 HydrophobicContact CG2-CG2 4.19Å; I644-V648 WeakPolarHBondContact O-CB 3.26Å; I644-V648 VanDerWaalsContact O-CG2 3.24Å; I644-V648 WeakPolarHBondContact O-CG2 3.33Å; I644-V648 PolarHBondContact O-N 3.06Å |
| 645 | S | 83 | Confident | 75.8 | Confident | 33 Ų | 33 | 25.9 Ų | 25.9 | 23% | 0.231 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 179.3 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | S641 L642 I643 L647 V648 V649 C686 | S641-S645 VanDerWaalsContact O-CB 3.26Å; S641-S645 WeakPolarHBondContact O-CB 3.49Å; S641-S645 PolarHBondContact O-N 3.41Å; S641-S645 PolarHBondContact O-OG 3.44Å; L642-S645 PolarHBondContact O-N 3.03Å; I643-S645 VanDerWaalsContact C-N 3.33Å; I643-S645 PolarHBondContact O-N 3.24Å; S645-L647 VanDerWaalsContact C-N 3.34Å; S645-L647 PolarHBondContact O-N 3.29Å; S645-V648 PolarHBondContact O-N 2.9Å; S645-V649 WeakPolarHBondContact O-CB 3.44Å; S645-V649 WeakPolarHBondContact O-CG2 3.32Å; S645-V649 PolarHBondContact O-N 3.46Å; S645-C686 WeakPolarHBondContact CB-SG 3.31Å |
| 646 | L | 85.7 | Confident | 73.5 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59 | -44.9 | 176.3 | -72.7 | 169.7 | 0 | 0 | 0 | 112.1 | L642 I643 I644 V649 E650 C686 V687 A690 L772 T775 L776 M779 M782 | L642-L646 HydrophobicContact CD1-CD1 4.45Å; L642-L646 HydrophobicContact CD1-CG 4.38Å; L642-L646 HydrophobicContact CG-CD1 4.25Å; L642-L646 VanDerWaalsContact O-CG 3.3Å; L642-L646 WeakPolarHBondContact O-CG 3.42Å; L642-L646 PolarHBondContact O-N 2.76Å; I643-L646 PolarHBondContact O-N 3.35Å; I644-L646 PolarHBondContact O-N 3.27Å; L646-V649 PolarHBondContact O-N 3.19Å; L646-E650 PolarHBondContact O-N 2.98Å; L646-E650 VanDerWaalsContact O-N 3.08Å; L646-C686 HydrophobicContact CD2-CB 4.41Å; L646-V687 HydrophobicContact CD2-CG2 4.06Å; L646-A690 HydrophobicContact CD1-CB 3.88Å; L646-A690 HydrophobicContact CD2-CB 4.12Å; L646-A690 HydrophobicContact CG-CB 4.5Å; L646-L772 HydrophobicContact CD1-CD2 3.76Å; L646-T775 HydrophobicContact CB-CG2 4.46Å; L646-L776 HydrophobicContact CD1-CD2 4.14Å; L646-M779 HydrophobicContact CB-CE 4.28Å; L646-M779 HydrophobicContact CB-SD 4.33Å; L646-M779 WeakPolarHBondContact O-CE 3.49Å; L646-M782 HydrophobicContact CD2-SD 4.17Å |
| 647 | L | 80 | Confident | 71.2 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.6 | -42.7 | 177.8 | -68.6 | 170.3 | 0 | 0 | 0 | 111.3 | I643 I644 S645 V649 E650 H651 T775 L1118 | I643-L647 HydrophobicContact CG2-CD1 3.85Å; I643-L647 HydrophobicContact CG2-CG 4.49Å; I643-L647 VanDerWaalsContact O-CG 3.26Å; I643-L647 WeakPolarHBondContact O-CG 3.4Å; I643-L647 PolarHBondContact O-N 2.91Å; I644-L647 PolarHBondContact O-N 3.36Å; S645-L647 VanDerWaalsContact C-N 3.34Å; S645-L647 PolarHBondContact O-N 3.29Å; L647-V649 VanDerWaalsContact C-N 3.32Å; L647-V649 PolarHBondContact O-N 2.72Å; L647-E650 PolarHBondContact O-N 3.09Å; L647-H651 PolarHBondContact O-N 2.9Å; L647-H651 VanDerWaalsContact O-N 3.14Å; L647-H651 PolarHBondContact O-ND1 2.88Å; L647-T775 HydrophobicContact CD2-CG2 3.93Å; L647-T775 HydrophobicContact CG-CG2 3.99Å; L647-L1118 HydrophobicContact CB-CD1 4.2Å; L647-L1118 HydrophobicContact CD1-CD2 3.99Å |
| 648 | V | 74.2 | Confident | 68.6 | Low | 66 Ų | 66 | 36.5 Ų | 36.5 | 40% | 0.4 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.4 | -41 | 175.3 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | I644 S645 E650 H651 G652 | I644-V648 HydrophobicContact CG2-CG2 4.19Å; I644-V648 WeakPolarHBondContact O-CB 3.26Å; I644-V648 VanDerWaalsContact O-CG2 3.24Å; I644-V648 WeakPolarHBondContact O-CG2 3.33Å; I644-V648 PolarHBondContact O-N 3.06Å; S645-V648 PolarHBondContact O-N 2.9Å; V648-E650 PolarHBondContact O-N 2.84Å; V648-H651 CarbonylContact O-C 3.59Å; V648-H651 PolarHBondContact O-N 3.32Å; V648-H651 VanDerWaalsContact O-N 3.16Å; V648-G652 PolarHBondContact O-N 2.95Å |
| 649 | V | 71.4 | Confident | 66.1 | Low | 33 Ų | 33 | 38.4 Ų | 38.4 | 20% | 0.2 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 177.9 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | S645 L646 L647 H651 G652 V653 | S645-V649 WeakPolarHBondContact O-CB 3.44Å; S645-V649 WeakPolarHBondContact O-CG2 3.32Å; S645-V649 PolarHBondContact O-N 3.46Å; L646-V649 PolarHBondContact O-N 3.19Å; L647-V649 VanDerWaalsContact C-N 3.32Å; L647-V649 PolarHBondContact O-N 2.72Å; V649-H651 VanDerWaalsContact C-N 3.27Å; V649-H651 PolarHBondContact O-N 2.77Å; V649-G652 PolarHBondContact O-N 3.31Å; V649-V653 VanDerWaalsContact O-CG2 3.24Å; V649-V653 WeakPolarHBondContact O-CG2 3.44Å; V649-V653 PolarHBondContact O-N 3.43Å |
| 650 | E | 70.4 | Confident | 63.8 | Low | 27 Ų | 27 | 43.5 Ų | 43.5 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.7 | -39.2 | 174.5 | 177.3 | 169.9 | -135 | 0 | 0 | 112.3 | L646 L647 V648 M779 T780 | L646-E650 PolarHBondContact O-N 2.98Å; L646-E650 VanDerWaalsContact O-N 3.08Å; L647-E650 PolarHBondContact O-N 3.09Å; V648-E650 PolarHBondContact O-N 2.84Å; E650-M779 HydrophobicContact CB-CE 3.68Å; E650-M779 WeakPolarHBondContact OE1-CA 3.44Å; E650-M779 VanDerWaalsContact OE2-CG 3.3Å; E650-M779 WeakPolarHBondContact OE2-CG 3.27Å; E650-T780 PolarHBondContact OE1-N 3.01Å |
| 651 | H | 61.8 | Low | 61.6 | Low | 49 Ų | 49 | 48 Ų | 48 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -75.9 | -33.5 | 177.7 | -69 | 71.4 | 0 | 0 | 0 | 112.6 | L647 V648 V649 L654 H655 L1118 | L647-H651 PolarHBondContact O-N 2.9Å; L647-H651 VanDerWaalsContact O-N 3.14Å; L647-H651 PolarHBondContact O-ND1 2.88Å; V648-H651 CarbonylContact O-C 3.59Å; V648-H651 PolarHBondContact O-N 3.32Å; V648-H651 VanDerWaalsContact O-N 3.16Å; V649-H651 VanDerWaalsContact C-N 3.27Å; V649-H651 PolarHBondContact O-N 2.77Å; H651-L654 WeakPolarHBondContact O-CA 3.31Å; H651-L654 VanDerWaalsContact O-CB 3.28Å; H651-L654 WeakPolarHBondContact O-CB 3.2Å; H651-L654 PolarHBondContact O-N 3.41Å; H651-L654 VanDerWaalsContact O-N 3.08Å; H651-H655 PolarHBondContact O-N 2.97Å; H651-L1118 WeakPolarHBondContact CE1-CD1 3.42Å; H651-L1118 WeakPolarHBondContact NE2-CD1 3.41Å |
| 652 | G | 55.8 | Low | 59.4 | Low | 30 Ų | 30 | 55 Ų | 55 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.6 | -35.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V648 V649 L654 H655 T656 | V648-G652 PolarHBondContact O-N 2.95Å; V649-G652 PolarHBondContact O-N 3.31Å; G652-L654 PolarHBondContact O-N 3.41Å; G652-H655 PolarHBondContact O-N 3.28Å; G652-T656 PolarHBondContact O-N 3.1Å; G652-T656 PolarHBondContact O-OG1 2.81Å; G652-T656 VanDerWaalsContact O-OG1 3.06Å |
| 653 | V | 49.8 | Very low | 56.9 | Low | 49 Ų | 49 | 58.4 Ų | 58.4 | 30% | 0.297 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62 | -22.5 | 168.3 | 173 | 0 | 0 | 0 | 0 | 111.4 | V649 | V649-V653 VanDerWaalsContact O-CG2 3.24Å; V649-V653 WeakPolarHBondContact O-CG2 3.44Å; V649-V653 PolarHBondContact O-N 3.43Å |
| 654 | L | 41 | Very low | 54.7 | Low | 73 Ų | 73 | 69 Ų | 69 | 38% | 0.382 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -82.3 | -24.3 | 170.8 | -62.6 | 165.8 | 0 | 0 | 0 | 113 | H651 G652 Y781 | H651-L654 WeakPolarHBondContact O-CA 3.31Å; H651-L654 VanDerWaalsContact O-CB 3.28Å; H651-L654 WeakPolarHBondContact O-CB 3.2Å; H651-L654 PolarHBondContact O-N 3.41Å; H651-L654 VanDerWaalsContact O-N 3.08Å; G652-L654 PolarHBondContact O-N 3.41Å; L654-Y781 HydrophobicContact CD2-CE2 4.43Å |
| 655 | H | 38.3 | Very low | 52.8 | Low | 108 Ų | 108 | 71.9 Ų | 71.9 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -95.1 | -40.1 | -172.1 | -102.9 | -69.8 | 0 | 0 | 0 | 115.2 | H651 G652 E657 L658 A659 | H651-H655 PolarHBondContact O-N 2.97Å; G652-H655 PolarHBondContact O-N 3.28Å; H655-E657 PolarHBondContact O-N 2.81Å; H655-L658 PolarHBondContact O-N 3.2Å; H655-A659 PolarHBondContact O-N 3.09Å |
| 656 | T | 42.3 | Very low | 50.6 | Low | 55 Ų | 55 | 72.5 Ų | 72.5 | 34% | 0.337 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59 | -35.1 | -179.2 | 39.3 | 0 | 0 | 0 | 0 | 111.9 | G652 E660 | G652-T656 PolarHBondContact O-N 3.1Å; G652-T656 PolarHBondContact O-OG1 2.81Å; G652-T656 VanDerWaalsContact O-OG1 3.06Å; T656-E660 PolarHBondContact O-N 2.65Å |
| 657 | E | 42.9 | Very low | 48.5 | Very low | 70 Ų | 70 | 82.5 Ų | 82.5 | 33% | 0.327 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -78.2 | -29.8 | -178.8 | -67.6 | 176 | 163 | 0 | 0 | 113.6 | H655 E660 K661 K796 | H655-E657 PolarHBondContact O-N 2.81Å; E657-E660 PolarHBondContact O-N 2.84Å; E657-K661 PolarHBondContact O-N 2.92Å; E657-K796 IonicContact OE2-NZ 2.84Å; E657-K796 PolarHBondContact OE2-NZ 2.92Å |
| 658 | L | 36.8 | Very low | 46.4 | Very low | 105 Ų | 105 | 86.9 Ų | 86.9 | 55% | 0.55 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -72.9 | -32.6 | 176.9 | -127.5 | 113 | 0 | 0 | 0 | 112.1 | H655 K661 Q662 | H655-L658 PolarHBondContact O-N 3.2Å; L658-K661 WeakPolarHBondContact O-CB 3.17Å; L658-K661 PolarHBondContact O-N 3.36Å; L658-Q662 PolarHBondContact O-N 2.95Å |
| 659 | A | 36.3 | Very low | 44.7 | Very low | 42 Ų | 42 | 86.6 Ų | 86.6 | 35% | 0.347 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H655 K661 Q662 Q663 | H655-A659 PolarHBondContact O-N 3.09Å; A659-K661 VanDerWaalsContact C-N 3.26Å; A659-K661 PolarHBondContact O-N 3Å; A659-Q662 PolarHBondContact O-N 3.49Å; A659-Q662 VanDerWaalsContact O-N 3.16Å; A659-Q663 PolarHBondContact O-N 3.25Å |
| 660 | E | 39.9 | Very low | 43.3 | Very low | 108 Ų | 108 | 89.8 Ų | 89.8 | 51% | 0.505 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -34.2 | 173.4 | -73.5 | -168.7 | 166.5 | 0 | 0 | 112.4 | T656 E657 Q663 R664 | T656-E660 PolarHBondContact O-N 2.65Å; E657-E660 PolarHBondContact O-N 2.84Å; E660-Q663 PolarHBondContact O-N 3.28Å; E660-R664 PolarHBondContact O-N 2.9Å |
| 661 | K | 38.5 | Very low | 41.4 | Very low | 114 Ų | 114 | 99.1 Ų | 99.1 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 173.4 | -97.2 | 176.8 | 174.5 | 165.6 | 0 | 112.9 | E657 L658 A659 E800 | E657-K661 PolarHBondContact O-N 2.92Å; L658-K661 WeakPolarHBondContact O-CB 3.17Å; L658-K661 PolarHBondContact O-N 3.36Å; A659-K661 VanDerWaalsContact C-N 3.26Å; A659-K661 PolarHBondContact O-N 3Å; K661-E800 IonicContact NZ-OE2 3.61Å; K661-E800 PolarHBondContact NZ-OE2 2.67Å |
| 662 | Q | 39.7 | Very low | 39.9 | Very low | 149 Ų | 149 | 100 Ų | 100 | 70% | 0.696 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -77.3 | -31.9 | 178 | -69.4 | -174.3 | -13.8 | 0 | 0 | 112.4 | L658 A659 A665 A666 | L658-Q662 PolarHBondContact O-N 2.95Å; A659-Q662 PolarHBondContact O-N 3.49Å; A659-Q662 VanDerWaalsContact O-N 3.16Å; Q662-A665 PolarHBondContact O-N 2.99Å; Q662-A666 PolarHBondContact O-N 2.95Å |
| 663 | Q | 37.7 | Very low | 38.6 | Very low | 72 Ų | 72 | 108.1 Ų | 108.1 | 34% | 0.336 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -81.3 | -26.8 | -179.9 | -79.9 | 176.1 | -20.4 | 0 | 0 | 114.1 | A659 E660 A665 A666 | A659-Q663 PolarHBondContact O-N 3.25Å; E660-Q663 PolarHBondContact O-N 3.28Å; Q663-A665 PolarHBondContact O-N 3.44Å; Q663-A666 CarbonylContact O-C 3.59Å; Q663-A666 VanDerWaalsContact O-C 3.22Å; Q663-A666 PolarHBondContact O-N 3.21Å |
| 664 | R | 40.6 | Very low | 37.9 | Very low | 223 Ų | 223 | 109.8 Ų | 109.8 | 84% | 0.842 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -20.1 | 167.3 | -76.2 | -173.7 | -175.4 | 174.5 | 5.3 | 112.5 | E660 | E660-R664 PolarHBondContact O-N 2.9Š|
| 665 | A | 41.7 | Very low | 37.5 | Very low | 94 Ų | 94 | 113 Ų | 113 | 78% | 0.777 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -10.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q662 Q663 | Q662-A665 PolarHBondContact O-N 2.99Å; Q663-A665 PolarHBondContact O-N 3.44Å |
| 666 | A | 37.8 | Very low | 37.3 | Very low | 46 Ų | 46 | 110 Ų | 110 | 38% | 0.38 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -142.4 | 109.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q662 Q663 V668 | Q662-A666 PolarHBondContact O-N 2.95Å; Q663-A666 CarbonylContact O-C 3.59Å; Q663-A666 VanDerWaalsContact O-C 3.22Å; Q663-A666 PolarHBondContact O-N 3.21Å; A666-V668 VanDerWaalsContact C-N 3.33Å; A666-V668 HydrophobicContact CB-CG2 4.37Å; A666-V668 PolarHBondContact O-N 3.05Å |
| 667 | H | 40.8 | Very low | 37 | Very low | 211 Ų | 211 | 113.8 Ų | 113.8 | 98% | 0.977 | 59% | 0.586 | S | S | * | * | trans | -57.5 | 86 | 171.4 | -90.9 | -73.4 | 0 | 0 | 0 | 111.6 | ||||
| 668 | V | 36.1 | Very low | 37 | Very low | 101 Ų | 101 | 112.4 Ų | 112.4 | 61% | 0.612 | 59% | 0.586 | S | S | * | * | trans | -135.2 | 110.7 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | A666 | A666-V668 VanDerWaalsContact C-N 3.33Å; A666-V668 HydrophobicContact CB-CG2 4.37Å; A666-V668 PolarHBondContact O-N 3.05Å | ||
| 669 | G | 38.7 | Very low | 37.4 | Very low | 59 Ų | 59 | 112.6 Ų | 112.6 | 61% | 0.608 | 59% | 0.586 | S | S | * | * | trans | 63.2 | 127.6 | 137.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | R671 | G669-R671 PolarHBondContact O-N 3Š| ||
| 670 | S | 41.6 | Very low | 37.9 | Very low | 100 Ų | 100 | 113.2 Ų | 113.2 | 70% | 0.699 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -14.9 | -179.3 | 73.2 | 0 | 0 | 0 | 0 | 116.4 | V672 R673 | S670-V672 VanDerWaalsContact C-N 3.34Å; S670-V672 PolarHBondContact O-N 2.73Å; S670-R673 PolarHBondContact O-N 3.47Å |
| 671 | R | 30.9 | Very low | 38.6 | Very low | 224 Ų | 224 | 113.3 Ų | 113.3 | 85% | 0.845 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.5 | -35.3 | -177.1 | -98.2 | -176.8 | 176.7 | 175.8 | -1.6 | 113.5 | G669 R673 S674 | G669-R671 PolarHBondContact O-N 3Å; R671-R673 VanDerWaalsContact C-N 3.33Å; R671-R673 PolarHBondContact O-N 2.92Å; R671-S674 WeakPolarHBondContact O-CB 3.48Å; R671-S674 PolarHBondContact O-N 3.07Å |
| 672 | V | 31.6 | Very low | 39.5 | Very low | 66 Ų | 66 | 112.3 Ų | 112.3 | 40% | 0.4 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.8 | -29.8 | -178.1 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | S670 S674 E675 S676 | S670-V672 VanDerWaalsContact C-N 3.34Å; S670-V672 PolarHBondContact O-N 2.73Å; V672-S674 PolarHBondContact O-N 3.2Å; V672-E675 PolarHBondContact O-N 2.95Å; V672-S676 PolarHBondContact O-N 2.72Å; V672-S676 PolarHBondContact O-OG 2.95Å |
| 673 | R | 27.2 | Very low | 40.5 | Very low | 201 Ų | 201 | 105.3 Ų | 105.3 | 76% | 0.758 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.1 | -31.9 | 175.5 | -74.2 | -175.3 | 176.2 | 177.6 | -1.4 | 112.9 | S670 R671 S676 F677 | S670-R673 PolarHBondContact O-N 3.47Å; R671-R673 VanDerWaalsContact C-N 3.33Å; R671-R673 PolarHBondContact O-N 2.92Å; R673-S676 WeakPolarHBondContact CA-OG 3.48Å; R673-S676 PolarHBondContact O-OG 3.45Å; R673-F677 WeakPolarHBondContact O-CB 3.24Å; R673-F677 PolarHBondContact O-N 3.05Å; R673-F677 VanDerWaalsContact O-N 3.15Å |
| 674 | S | 34.5 | Very low | 42.2 | Very low | 85 Ų | 85 | 106.5 Ų | 106.5 | 59% | 0.594 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.7 | -46.1 | 179.8 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | R671 V672 F677 A678 | R671-S674 WeakPolarHBondContact O-CB 3.48Å; R671-S674 PolarHBondContact O-N 3.07Å; V672-S674 PolarHBondContact O-N 3.2Å; S674-F677 PolarHBondContact O-N 3.24Å; S674-A678 PolarHBondContact O-N 2.91Å; S674-A678 VanDerWaalsContact O-N 3.11Å |
| 675 | E | 33.5 | Very low | 44.2 | Very low | 141 Ų | 141 | 97.5 Ų | 97.5 | 66% | 0.659 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.3 | -39.3 | -178.8 | -69.6 | 178.6 | 176 | 0 | 0 | 111.5 | V672 F677 A678 M679 | V672-E675 PolarHBondContact O-N 2.95Å; E675-F677 VanDerWaalsContact C-N 3.33Å; E675-F677 PolarHBondContact O-N 3.45Å; E675-A678 PolarHBondContact O-N 2.92Å; E675-M679 VanDerWaalsContact O-CG 3.28Å; E675-M679 WeakPolarHBondContact O-CG 3.14Å; E675-M679 PolarHBondContact O-N 2.9Å |
| 676 | S | 34 | Very low | 46.3 | Very low | 43 Ų | 43 | 93.5 Ų | 93.5 | 30% | 0.301 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 175.9 | 60.4 | 0 | 0 | 0 | 0 | 112.5 | V672 R673 A680 | V672-S676 PolarHBondContact O-N 2.72Å; V672-S676 PolarHBondContact O-OG 2.95Å; R673-S676 WeakPolarHBondContact CA-OG 3.48Å; R673-S676 PolarHBondContact O-OG 3.45Å; S676-A680 WeakPolarHBondContact O-CB 3.08Å; S676-A680 PolarHBondContact O-N 3.4Å |
| 677 | F | 35.9 | Very low | 48.5 | Very low | 136 Ų | 136 | 92.5 Ų | 92.5 | 60% | 0.596 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.7 | -42.9 | 178.8 | -155.7 | -93.1 | 0 | 0 | 0 | 111.4 | R673 S674 E675 M679 A680 E681 | R673-F677 WeakPolarHBondContact O-CB 3.24Å; R673-F677 PolarHBondContact O-N 3.05Å; R673-F677 VanDerWaalsContact O-N 3.15Å; S674-F677 PolarHBondContact O-N 3.24Å; E675-F677 VanDerWaalsContact C-N 3.33Å; E675-F677 PolarHBondContact O-N 3.45Å; F677-M679 PolarHBondContact O-N 3.25Å; F677-A680 PolarHBondContact O-N 3.42Å; F677-E681 HydrophobicContact CD1-CG 4.07Å; F677-E681 HydrophobicContact CE1-CG 3.98Å; F677-E681 VanDerWaalsContact CE1-OE1 3.29Å; F677-E681 WeakPolarHBondContact CE1-OE1 3.45Å; F677-E681 PolarHBondContact O-N 2.75Å |
| 678 | A | 43.6 | Very low | 50.8 | Low | 40 Ų | 40 | 85.1 Ų | 85.1 | 33% | 0.331 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S674 E675 E681 Q682 | S674-A678 PolarHBondContact O-N 2.91Å; S674-A678 VanDerWaalsContact O-N 3.11Å; E675-A678 PolarHBondContact O-N 2.92Å; A678-E681 PolarHBondContact O-N 3.4Å; A678-Q682 WeakPolarHBondContact O-CB 3.47Å; A678-Q682 VanDerWaalsContact O-CG 3.3Å; A678-Q682 WeakPolarHBondContact O-CG 3.41Å; A678-Q682 PolarHBondContact O-N 3.08Å |
| 679 | M | 45.1 | Very low | 53.4 | Low | 110 Ų | 110 | 80.3 Ų | 80.3 | 54% | 0.542 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 175 | -71.7 | -71.2 | 115.1 | 0 | 0 | 112.3 | E675 F677 G683 | E675-M679 VanDerWaalsContact O-CG 3.28Å; E675-M679 WeakPolarHBondContact O-CG 3.14Å; E675-M679 PolarHBondContact O-N 2.9Å; F677-M679 PolarHBondContact O-N 3.25Å; M679-G683 PolarHBondContact O-N 3.18Å |
| 680 | A | 46.4 | Very low | 56 | Low | 55 Ų | 55 | 77.5 Ų | 77.5 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.8 | -42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S676 F677 G683 N684 | S676-A680 WeakPolarHBondContact O-CB 3.08Å; S676-A680 PolarHBondContact O-N 3.4Å; F677-A680 PolarHBondContact O-N 3.42Å; A680-G683 PolarHBondContact O-N 3.15Å; A680-N684 PolarHBondContact O-N 2.72Å |
| 681 | E | 54.3 | Low | 58.4 | Low | 110 Ų | 110 | 73.6 Ų | 73.6 | 51% | 0.514 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 174.9 | -76.9 | -169.1 | 154.4 | 0 | 0 | 111.7 | F677 A678 G683 N684 I685 | F677-E681 HydrophobicContact CD1-CG 4.07Å; F677-E681 HydrophobicContact CE1-CG 3.98Å; F677-E681 VanDerWaalsContact CE1-OE1 3.29Å; F677-E681 WeakPolarHBondContact CE1-OE1 3.45Å; F677-E681 PolarHBondContact O-N 2.75Å; A678-E681 PolarHBondContact O-N 3.4Å; E681-G683 PolarHBondContact O-N 2.81Å; E681-N684 PolarHBondContact O-N 2.92Å; E681-I685 WeakPolarHBondContact O-CG1 3.48Å; E681-I685 PolarHBondContact O-N 2.88Å |
| 682 | Q | 57.2 | Low | 61.3 | Low | 92 Ų | 92 | 63 Ų | 63 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.1 | -38.4 | 175 | -77.5 | 168.3 | -14.2 | 0 | 0 | 111.5 | A678 I685 C686 | A678-Q682 WeakPolarHBondContact O-CB 3.47Å; A678-Q682 VanDerWaalsContact O-CG 3.3Å; A678-Q682 WeakPolarHBondContact O-CG 3.41Å; A678-Q682 PolarHBondContact O-N 3.08Å; Q682-I685 PolarHBondContact O-N 2.81Å; Q682-C686 PolarHBondContact O-N 2.81Å; Q682-C686 VanDerWaalsContact O-N 3.09Å; Q682-C686 PolarHBondContact O-SG 3.42Å; Q682-C686 VanDerWaalsContact O-SG 3.36Å |
| 683 | G | 62 | Low | 64.2 | Low | 3 Ų | 3 | 59.9 Ų | 59.9 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | M679 A680 E681 I685 C686 V687 | M679-G683 PolarHBondContact O-N 3.18Å; A680-G683 PolarHBondContact O-N 3.15Å; E681-G683 PolarHBondContact O-N 2.81Å; G683-I685 VanDerWaalsContact C-N 3.34Å; G683-C686 PolarHBondContact O-N 3.35Å; G683-V687 WeakPolarHBondContact O-CG2 3.37Å; G683-V687 PolarHBondContact O-N 2.91Å |
| 684 | N | 72.2 | Confident | 67.4 | Low | 97 Ų | 97 | 50.3 Ų | 50.3 | 52% | 0.519 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 174.3 | -71 | -25.3 | 0 | 0 | 0 | 111.2 | A680 E681 C686 V687 E688 | A680-N684 PolarHBondContact O-N 2.72Å; E681-N684 PolarHBondContact O-N 2.92Å; N684-C686 PolarHBondContact O-N 3.3Å; N684-V687 PolarHBondContact O-N 3.47Å; N684-E688 WeakPolarHBondContact O-CG 3.47Å; N684-E688 PolarHBondContact O-N 3.42Å |
| 685 | I | 82.3 | Confident | 70.1 | Confident | 33 Ų | 33 | 46.3 Ų | 46.3 | 17% | 0.169 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 179.9 | -64.4 | 160.5 | 0 | 0 | 0 | 111.3 | M370 T387 E681 Q682 G683 V687 E688 I689 | M370-I685 HydrophobicContact CB-CD1 4.21Å; M370-I685 HydrophobicContact CB-CG2 4.12Å; M370-I685 HydrophobicContact CG-CD1 4.46Å; M370-I685 HydrophobicContact CG-CG2 3.94Å; T387-I685 HydrophobicContact CG2-CG2 4.06Å; E681-I685 WeakPolarHBondContact O-CG1 3.48Å; E681-I685 PolarHBondContact O-N 2.88Å; Q682-I685 PolarHBondContact O-N 2.81Å; G683-I685 VanDerWaalsContact C-N 3.34Å; I685-V687 VanDerWaalsContact C-N 3.3Å; I685-V687 PolarHBondContact O-N 3.36Å; I685-E688 WeakPolarHBondContact O-CB 3.47Å; I685-E688 PolarHBondContact O-N 3.18Å; I685-E688 VanDerWaalsContact O-N 3.16Å; I685-I689 HydrophobicContact CG2-CD1 3.8Å; I685-I689 HydrophobicContact CG2-CG1 4.29Å; I685-I689 VanDerWaalsContact O-CG1 3.29Å; I685-I689 WeakPolarHBondContact O-CG1 3.36Å; I685-I689 PolarHBondContact O-N 3.01Å |
| 686 | C | 85.8 | Confident | 72.8 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 177.5 | -65.6 | 0 | 0 | 0 | 0 | 112.6 | L642 S645 L646 Q682 G683 N684 I689 A690 | L642-C686 HydrophobicContact CD1-CB 4.43Å; L642-C686 WeakPolarHBondContact CD1-O 3.27Å; S645-C686 WeakPolarHBondContact CB-SG 3.31Å; L646-C686 HydrophobicContact CD2-CB 4.41Å; Q682-C686 PolarHBondContact O-N 2.81Å; Q682-C686 VanDerWaalsContact O-N 3.09Å; Q682-C686 PolarHBondContact O-SG 3.42Å; Q682-C686 VanDerWaalsContact O-SG 3.36Å; G683-C686 PolarHBondContact O-N 3.35Å; N684-C686 PolarHBondContact O-N 3.3Å; C686-I689 PolarHBondContact O-N 2.84Å; C686-A690 WeakPolarHBondContact O-CB 3.43Å; C686-A690 PolarHBondContact O-N 3.37Å |
| 687 | V | 85.6 | Confident | 75.4 | Confident | 24 Ų | 24 | 38.5 Ų | 38.5 | 15% | 0.145 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 174.5 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | L646 G683 N684 I685 A690 Q691 M782 F784 | L646-V687 HydrophobicContact CD2-CG2 4.06Å; G683-V687 WeakPolarHBondContact O-CG2 3.37Å; G683-V687 PolarHBondContact O-N 2.91Å; N684-V687 PolarHBondContact O-N 3.47Å; I685-V687 VanDerWaalsContact C-N 3.3Å; I685-V687 PolarHBondContact O-N 3.36Å; V687-A690 PolarHBondContact O-N 2.83Å; V687-Q691 WeakPolarHBondContact O-CB 3.44Å; V687-Q691 PolarHBondContact O-N 3.44Å; V687-M782 HydrophobicContact CG2-CG 4.14Å; V687-M782 HydrophobicContact CG2-SD 4.37Å; V687-F784 HydrophobicContact CG1-CD1 3.57Å; V687-F784 HydrophobicContact CG1-CE1 3.82Å; V687-F784 WeakPolarHBondContact O-CE1 3.42Å |
| 688 | E | 87.5 | Confident | 77.9 | Confident | 57 Ų | 57 | 32.3 Ų | 32.3 | 27% | 0.266 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 174.9 | -70.5 | 177.3 | -165 | 0 | 0 | 112.7 | T387 N684 I685 Q691 L692 | T387-E688 WeakPolarHBondContact CB-OE2 3.26Å; T387-E688 HydrophobicContact CG2-CB 4.02Å; T387-E688 PolarHBondContact OG1-OE2 3.47Å; N684-E688 WeakPolarHBondContact O-CG 3.47Å; N684-E688 PolarHBondContact O-N 3.42Å; I685-E688 WeakPolarHBondContact O-CB 3.47Å; I685-E688 PolarHBondContact O-N 3.18Å; I685-E688 VanDerWaalsContact O-N 3.16Å; E688-Q691 PolarHBondContact O-N 2.98Å; E688-L692 VanDerWaalsContact O-CB 3.28Å; E688-L692 WeakPolarHBondContact O-CB 3.11Å; E688-L692 PolarHBondContact O-N 3.49Å |
| 689 | I | 91.8 | Very high | 79.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 175.9 | -67 | 166.2 | 0 | 0 | 0 | 110.2 | M370 T387 P618 L619 F637 L642 I685 C686 L692 L693 | M370-I689 HydrophobicContact SD-CD1 4.46Å; T387-I689 HydrophobicContact CG2-CG1 3.75Å; P618-I689 HydrophobicContact CB-CD1 4.42Å; P618-I689 HydrophobicContact CG-CD1 3.96Å; L619-I689 HydrophobicContact CB-CD1 4.01Å; F637-I689 HydrophobicContact CD1-CG2 3.85Å; F637-I689 HydrophobicContact CE1-CG2 4.02Å; L642-I689 HydrophobicContact CD1-CB 4.09Å; L642-I689 HydrophobicContact CD1-CG2 3.84Å; L642-I689 HydrophobicContact CD2-CG2 4.08Å; I685-I689 HydrophobicContact CG2-CD1 3.8Å; I685-I689 HydrophobicContact CG2-CG1 4.29Å; I685-I689 VanDerWaalsContact O-CG1 3.29Å; I685-I689 WeakPolarHBondContact O-CG1 3.36Å; I685-I689 PolarHBondContact O-N 3.01Å; C686-I689 PolarHBondContact O-N 2.84Å; I689-L692 PolarHBondContact O-N 3.08Å; I689-L693 WeakPolarHBondContact O-CB 3.23Å; I689-L693 PolarHBondContact O-N 2.91Å |
| 690 | A | 92.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.3 | -43.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L642 L646 C686 V687 L694 F784 | L642-A690 HydrophobicContact CD1-CB 4.29Å; L642-A690 HydrophobicContact CD2-CB 4.32Å; L646-A690 HydrophobicContact CD1-CB 3.88Å; L646-A690 HydrophobicContact CD2-CB 4.12Å; L646-A690 HydrophobicContact CG-CB 4.5Å; C686-A690 WeakPolarHBondContact O-CB 3.43Å; C686-A690 PolarHBondContact O-N 3.37Å; V687-A690 PolarHBondContact O-N 2.83Å; A690-L694 VanDerWaalsContact O-CB 3.32Å; A690-L694 WeakPolarHBondContact O-CB 3.25Å; A690-L694 WeakPolarHBondContact O-CG 3.38Å; A690-L694 PolarHBondContact O-N 2.96Å; A690-F784 HydrophobicContact CB-CE1 4.11Å; A690-F784 HydrophobicContact CB-CZ 4.08Å |
| 691 | Q | 92.1 | Very high | 83.2 | Confident | 17 Ų | 17 | 27.8 Ų | 27.8 | 8% | 0.079 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 174.6 | -173.4 | -176.8 | 12.4 | 0 | 0 | 111.1 | V687 E688 S695 G715 F784 | V687-Q691 WeakPolarHBondContact O-CB 3.44Å; V687-Q691 PolarHBondContact O-N 3.44Å; E688-Q691 PolarHBondContact O-N 2.98Å; Q691-S695 WeakPolarHBondContact O-CB 3.28Å; Q691-S695 PolarHBondContact O-N 2.88Å; Q691-S695 PolarHBondContact O-OG 3.26Å; Q691-G715 PolarHBondContact NE2-O 3.38Å; Q691-F784 HydrophobicContact CB-CB 4.38Å; Q691-F784 HydrophobicContact CB-CD1 3.71Å; Q691-F784 HydrophobicContact CB-CD2 4.16Å; Q691-F784 HydrophobicContact CB-CE1 3.93Å; Q691-F784 HydrophobicContact CB-CE2 4.36Å; Q691-F784 HydrophobicContact CB-CG 3.84Å; Q691-F784 HydrophobicContact CB-CZ 4.25Å; Q691-F784 HydrophobicContact CG-CB 3.97Å; Q691-F784 HydrophobicContact CG-CD1 4.23Å; Q691-F784 HydrophobicContact CG-CD2 4.07Å; Q691-F784 HydrophobicContact CG-CG 3.85Å |
| 692 | L | 91.7 | Very high | 84.2 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.6 | -54.8 | 177.2 | 174.1 | 64.1 | 0 | 0 | 0 | 110.2 | L390 R391 F394 F395 F637 E688 I689 L694 S695 L696 | L390-L692 HydrophobicContact CB-CD1 4.49Å; L390-L692 HydrophobicContact CB-CD2 3.63Å; L390-L692 HydrophobicContact CD1-CD2 3.82Å; L390-L692 HydrophobicContact CG-CD2 4.39Å; R391-L692 HydrophobicContact CG-CD1 4.46Å; F394-L692 HydrophobicContact CD2-CD1 4.28Å; F395-L692 HydrophobicContact CE2-CD1 3.56Å; F395-L692 HydrophobicContact CZ-CD1 4.14Å; F637-L692 HydrophobicContact CE1-CD2 4.19Å; F637-L692 HydrophobicContact CE1-CG 4.49Å; F637-L692 HydrophobicContact CZ-CD2 4.09Å; F637-L692 HydrophobicContact CZ-CG 4.39Å; E688-L692 VanDerWaalsContact O-CB 3.28Å; E688-L692 WeakPolarHBondContact O-CB 3.11Å; E688-L692 PolarHBondContact O-N 3.49Å; I689-L692 PolarHBondContact O-N 3.08Å; L692-L694 PolarHBondContact O-N 3.08Å; L692-S695 WeakPolarHBondContact O-CB 3.23Å; L692-S695 PolarHBondContact O-N 2.82Å; L692-L696 HydrophobicContact CD1-CD1 4.04Å; L692-L696 HydrophobicContact CD1-CG 4.3Å; L692-L696 HydrophobicContact CG-CD1 4.16Å; L692-L696 VanDerWaalsContact O-CG 3.28Å; L692-L696 WeakPolarHBondContact O-CG 3.39Å; L692-L696 PolarHBondContact O-N 3.38Å |
| 693 | L | 93.5 | Very high | 85.4 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | -177.4 | -177.1 | 58 | 0 | 0 | 0 | 112.4 | L20 F637 M639 L642 I689 S695 L696 L697 L772 | L20-L693 HydrophobicContact CD1-CD1 4.15Å; F637-L693 HydrophobicContact CB-CD1 4.16Å; F637-L693 HydrophobicContact CB-CD2 3.78Å; F637-L693 HydrophobicContact CD1-CB 3.96Å; F637-L693 HydrophobicContact CD1-CD1 4.01Å; F637-L693 HydrophobicContact CD1-CD2 3.95Å; F637-L693 HydrophobicContact CD1-CG 4.2Å; F637-L693 HydrophobicContact CD2-CD1 3.92Å; F637-L693 HydrophobicContact CE1-CB 4.06Å; F637-L693 HydrophobicContact CE1-CD1 4.36Å; F637-L693 HydrophobicContact CE2-CD1 4.29Å; F637-L693 HydrophobicContact CG-CD1 3.76Å; F637-L693 HydrophobicContact CG-CD2 4Å; F637-L693 HydrophobicContact CG-CG 4.34Å; F637-L693 HydrophobicContact CZ-CD1 4.5Å; M639-L693 HydrophobicContact SD-CD2 3.43Å; M639-L693 WeakPolarHBondContact SD-CD2 3.23Å; L642-L693 HydrophobicContact CD2-CD2 4.03Å; I689-L693 WeakPolarHBondContact O-CB 3.23Å; I689-L693 PolarHBondContact O-N 2.91Å; L693-S695 VanDerWaalsContact C-N 3.31Å; L693-S695 PolarHBondContact O-N 3.27Å; L693-L696 PolarHBondContact O-N 2.94Å; L693-L697 HydrophobicContact CD1-CD1 3.78Å; L693-L697 HydrophobicContact CD1-CG 3.94Å; L693-L697 HydrophobicContact CD2-CD1 4.49Å; L693-L697 HydrophobicContact CG-CD1 3.79Å; L693-L697 HydrophobicContact CG-CG 4.32Å; L693-L697 WeakPolarHBondContact O-CB 3.39Å; L693-L697 VanDerWaalsContact O-CG 3.29Å; L693-L697 WeakPolarHBondContact O-CG 3.36Å; L693-L697 PolarHBondContact O-N 2.87Å; L693-L772 HydrophobicContact CD2-CD1 3.95Å; L693-L772 HydrophobicContact CG-CD1 4.41Å |
| 694 | L | 93.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.3 | -36.5 | 176.9 | -76.7 | 168.2 | 0 | 0 | 0 | 112.4 | A690 L692 L696 L697 Y698 L716 I769 L772 L776 F784 W844 | A690-L694 VanDerWaalsContact O-CB 3.32Å; A690-L694 WeakPolarHBondContact O-CB 3.25Å; A690-L694 WeakPolarHBondContact O-CG 3.38Å; A690-L694 PolarHBondContact O-N 2.96Å; L692-L694 PolarHBondContact O-N 3.08Å; L694-L696 VanDerWaalsContact C-N 3.29Å; L694-L696 PolarHBondContact O-N 3.33Å; L694-L697 PolarHBondContact O-N 2.86Å; L694-Y698 WeakPolarHBondContact O-CB 3.34Å; L694-Y698 PolarHBondContact O-N 3.19Å; L694-L716 HydrophobicContact CB-CD2 3.73Å; L694-I769 HydrophobicContact CD2-CB 4.45Å; L694-I769 HydrophobicContact CD2-CD1 4.45Å; L694-I769 HydrophobicContact CD2-CG1 3.86Å; L694-L772 HydrophobicContact CD1-CB 4.21Å; L694-L772 HydrophobicContact CD2-CB 3.87Å; L694-L772 HydrophobicContact CD2-CD1 4.16Å; L694-L772 HydrophobicContact CG-CB 4.24Å; L694-L772 HydrophobicContact CG-CD1 4.04Å; L694-L776 HydrophobicContact CD1-CD1 3.48Å; L694-L776 VanDerWaalsContact CD1-CD1 3.48Å; L694-F784 HydrophobicContact CD1-CE2 3.89Å; L694-F784 HydrophobicContact CD1-CZ 3.97Å; L694-W844 HydrophobicContact CD1-CH2 3.82Å; L694-W844 HydrophobicContact CD1-CZ3 4.1Å |
| 695 | S | 91.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -35.8 | 175.4 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | Q691 L692 L693 W700 I717 | Q691-S695 WeakPolarHBondContact O-CB 3.28Å; Q691-S695 PolarHBondContact O-N 2.88Å; Q691-S695 PolarHBondContact O-OG 3.26Å; L692-S695 WeakPolarHBondContact O-CB 3.23Å; L692-S695 PolarHBondContact O-N 2.82Å; L693-S695 VanDerWaalsContact C-N 3.31Å; L693-S695 PolarHBondContact O-N 3.27Å; S695-W700 PolarHBondContact O-NE1 3.06Å; S695-I717 WeakPolarHBondContact CB-O 3.49Å; S695-I717 PolarHBondContact OG-N 3.38Å |
| 696 | L | 90.4 | Very high | 87.6 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -76.6 | -34.3 | 176.2 | -64.4 | 175.4 | 0 | 0 | 0 | 113.1 | V22 F394 F395 F637 L692 L693 L694 I723 | V22-L696 HydrophobicContact CG1-CD1 4.42Å; V22-L696 HydrophobicContact CG2-CD1 4.22Å; F394-L696 HydrophobicContact CB-CD2 3.93Å; F394-L696 HydrophobicContact CD1-CD2 4.02Å; F394-L696 HydrophobicContact CD2-CD1 4.15Å; F394-L696 HydrophobicContact CD2-CD2 3.89Å; F394-L696 HydrophobicContact CE2-CD1 4.13Å; F394-L696 HydrophobicContact CE2-CD2 4.44Å; F394-L696 HydrophobicContact CG-CD2 3.68Å; F395-L696 HydrophobicContact CZ-CD2 4.25Å; F637-L696 HydrophobicContact CZ-CD1 4.45Å; L692-L696 HydrophobicContact CD1-CD1 4.04Å; L692-L696 HydrophobicContact CD1-CG 4.3Å; L692-L696 HydrophobicContact CG-CD1 4.16Å; L692-L696 VanDerWaalsContact O-CG 3.28Å; L692-L696 WeakPolarHBondContact O-CG 3.39Å; L692-L696 PolarHBondContact O-N 3.38Å; L693-L696 PolarHBondContact O-N 2.94Å; L694-L696 VanDerWaalsContact C-N 3.29Å; L694-L696 PolarHBondContact O-N 3.33Å; L696-I723 HydrophobicContact CB-CD1 3.82Å; L696-I723 HydrophobicContact CD2-CD1 3.45Å; L696-I723 VanDerWaalsContact CD2-CD1 3.45Å; L696-I723 HydrophobicContact CD2-CG1 3.94Å; L696-I723 HydrophobicContact CG-CD1 4.23Å; L696-I723 WeakPolarHBondContact O-CD1 3.37Å |
| 697 | L | 88.9 | Confident | 87.8 | Confident | 14 Ų | 14 | 27.1 Ų | 27.1 | 7% | 0.073 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -86.9 | -27 | -177.3 | -68.9 | 177.2 | 0 | 0 | 0 | 114 | L20 L693 L694 R699 F725 H765 A768 I769 | L20-L697 HydrophobicContact CD1-CD1 3.64Å; L20-L697 HydrophobicContact CD1-CD2 3.97Å; L20-L697 HydrophobicContact CD1-CG 4.35Å; L693-L697 HydrophobicContact CD1-CD1 3.78Å; L693-L697 HydrophobicContact CD1-CG 3.94Å; L693-L697 HydrophobicContact CD2-CD1 4.49Å; L693-L697 HydrophobicContact CG-CD1 3.79Å; L693-L697 HydrophobicContact CG-CG 4.32Å; L693-L697 WeakPolarHBondContact O-CB 3.39Å; L693-L697 VanDerWaalsContact O-CG 3.29Å; L693-L697 WeakPolarHBondContact O-CG 3.36Å; L693-L697 PolarHBondContact O-N 2.87Å; L694-L697 PolarHBondContact O-N 2.86Å; L697-R699 PolarHBondContact O-N 2.68Å; L697-F725 HydrophobicContact CD2-CE1 4.2Å; L697-H765 HydrophobicContact CD2-CB 4.15Å; L697-A768 HydrophobicContact CD1-CB 3.61Å; L697-I769 HydrophobicContact CB-CD1 4.39Å |
| 698 | Y | 88.8 | Confident | 88.2 | Confident | 6 Ų | 6 | 29.8 Ų | 29.8 | 2% | 0.024 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -63.5 | 134.4 | -178.9 | 176.4 | -88.7 | 0 | 0 | 0 | 110.7 | L694 W700 M706 D707 C710 L716 I769 V847 H851 | L694-Y698 WeakPolarHBondContact O-CB 3.34Å; L694-Y698 PolarHBondContact O-N 3.19Å; Y698-W700 AromaticContact CD1-CD1 3.98Å; Y698-W700 AromaticContact CD1-CD2 3.49Å; Y698-W700 HydrophobicContact CD1-CD2 3.49Å; Y698-W700 VanDerWaalsContact CD1-CD2 3.49Å; Y698-W700 AromaticContact CD1-CE2 3.52Å; Y698-W700 AromaticContact CD1-CE3 3.86Å; Y698-W700 HydrophobicContact CD1-CE3 3.86Å; Y698-W700 AromaticContact CD1-CG 3.82Å; Y698-W700 HydrophobicContact CD1-CG 3.82Å; Y698-W700 HydrophobicContact CD1-CH2 4.29Å; Y698-W700 AromaticContact CD1-CZ2 3.95Å; Y698-W700 HydrophobicContact CD1-CZ2 3.95Å; Y698-W700 HydrophobicContact CD1-CZ3 4.23Å; Y698-W700 AromaticContact CD1-NE1 3.82Å; Y698-W700 AromaticContact CE1-CD2 3.79Å; Y698-W700 HydrophobicContact CE1-CD2 3.79Å; Y698-W700 AromaticContact CE1-CE3 3.69Å; Y698-W700 HydrophobicContact CE1-CE3 3.69Å; Y698-W700 HydrophobicContact CE1-CG 4.24Å; Y698-W700 HydrophobicContact CE1-CH2 4.47Å; Y698-W700 HydrophobicContact CE1-CZ3 4.03Å; Y698-W700 PolarHBondContact O-N 3.22Å; Y698-M706 WeakPolarHBondContact OH-CB 3.47Å; Y698-D707 WeakPolarHBondContact CE1-OD1 3.41Å; Y698-D707 PolarHBondContact OH-N 3.32Å; Y698-D707 PolarHBondContact OH-OD1 3.46Å; Y698-C710 VanDerWaalsContact CE2-SG 3.59Å; Y698-L716 HydrophobicContact CD2-CD1 4.37Å; Y698-L716 HydrophobicContact CG-CD1 4.35Å; Y698-I769 HydrophobicContact CD2-CD1 4.49Å; Y698-V847 HydrophobicContact CD2-CG1 4.3Å; Y698-V847 HydrophobicContact CE2-CG2 4.46Å; Y698-H851 AromaticContact CD2-CE1 3.84Å |
| 699 | R | 83.1 | Confident | 88.4 | Confident | 47 Ų | 47 | 28.8 Ų | 28.8 | 18% | 0.177 | 16% | 0.164 | C | C | . | . | trans | -82.4 | 78.2 | -175.2 | -165 | -174 | -72.8 | 177.9 | -6.8 | 112.2 | L697 C702 F850 | L697-R699 PolarHBondContact O-N 2.68Å; R699-C702 WeakPolarHBondContact CD-SG 3.46Å; R699-C702 HydrophobicContact CG-CB 4.28Å; R699-C702 WeakPolarHBondContact CG-SG 3.1Å; R699-F850 HydrophobicContact CB-CE1 4.23Å | ||
| 700 | W | 84.5 | Confident | 88.3 | Confident | 25 Ų | 25 | 28.9 Ų | 28.9 | 10% | 0.095 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 147.6 | 175.4 | -61 | 100.1 | 0 | 0 | 0 | 112.8 | S695 Y698 C702 D707 C710 K711 L716 I717 Q718 P719 | S695-W700 PolarHBondContact O-NE1 3.06Å; Y698-W700 AromaticContact CD1-CD1 3.98Å; Y698-W700 AromaticContact CD1-CD2 3.49Å; Y698-W700 HydrophobicContact CD1-CD2 3.49Å; Y698-W700 VanDerWaalsContact CD1-CD2 3.49Å; Y698-W700 AromaticContact CD1-CE2 3.52Å; Y698-W700 AromaticContact CD1-CE3 3.86Å; Y698-W700 HydrophobicContact CD1-CE3 3.86Å; Y698-W700 AromaticContact CD1-CG 3.82Å; Y698-W700 HydrophobicContact CD1-CG 3.82Å; Y698-W700 HydrophobicContact CD1-CH2 4.29Å; Y698-W700 AromaticContact CD1-CZ2 3.95Å; Y698-W700 HydrophobicContact CD1-CZ2 3.95Å; Y698-W700 HydrophobicContact CD1-CZ3 4.23Å; Y698-W700 AromaticContact CD1-NE1 3.82Å; Y698-W700 AromaticContact CE1-CD2 3.79Å; Y698-W700 HydrophobicContact CE1-CD2 3.79Å; Y698-W700 AromaticContact CE1-CE3 3.69Å; Y698-W700 HydrophobicContact CE1-CE3 3.69Å; Y698-W700 HydrophobicContact CE1-CG 4.24Å; Y698-W700 HydrophobicContact CE1-CH2 4.47Å; Y698-W700 HydrophobicContact CE1-CZ3 4.03Å; Y698-W700 PolarHBondContact O-N 3.22Å; W700-C702 PolarHBondContact O-N 3.22Å; W700-D707 HydrophobicContact CE3-CB 3.92Å; W700-D707 HydrophobicContact CZ3-CB 3.97Å; W700-C710 HydrophobicContact CH2-CB 4.36Å; W700-K711 HydrophobicContact CH2-CG 3.75Å; W700-K711 HydrophobicContact CZ3-CD 4.17Å; W700-K711 VanDerWaalsContact CZ3-CE 3.48Å; W700-K711 HydrophobicContact CZ3-CG 3.76Å; W700-L716 HydrophobicContact CH2-CB 3.96Å; W700-L716 HydrophobicContact CZ2-CB 3.9Å; W700-I717 VanDerWaalsContact CZ2-O 3.26Å; W700-I717 WeakPolarHBondContact CZ2-O 3.5Å; W700-Q718 HydrophobicContact CB-CG 4.22Å; W700-Q718 HydrophobicContact CD2-CB 3.79Å; W700-Q718 HydrophobicContact CD2-CG 3.73Å; W700-Q718 HydrophobicContact CE3-CB 3.91Å; W700-Q718 HydrophobicContact CE3-CG 4.03Å; W700-Q718 HydrophobicContact CG-CB 4.37Å; W700-Q718 HydrophobicContact CG-CG 3.82Å; W700-Q718 HydrophobicContact CH2-CB 4.22Å; W700-Q718 HydrophobicContact CZ2-CB 4.11Å; W700-Q718 HydrophobicContact CZ3-CB 4.14Å; W700-P719 VanDerWaalsContact CD1-CD 3.45Å |
| 701 | G | 77.4 | Confident | 88.2 | Confident | 39 Ų | 39 | 32.2 Ų | 32.2 | 40% | 0.402 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | -14.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D707 | G701-D707 WeakPolarHBondContact CA-OD2 3.21Å; G701-D707 PolarHBondContact N-OD2 3.37Å |
| 702 | C | 76.1 | Confident | 88.1 | Confident | 59 Ų | 59 | 38.3 Ų | 38.3 | 40% | 0.399 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -76.4 | -27.9 | 179.1 | -72.9 | 0 | 0 | 0 | 0 | 113.4 | R699 W700 F850 | R699-C702 WeakPolarHBondContact CD-SG 3.46Å; R699-C702 HydrophobicContact CG-CB 4.28Å; R699-C702 WeakPolarHBondContact CG-SG 3.1Å; W700-C702 PolarHBondContact O-N 3.22Å; C702-F850 HydrophobicContact CB-CZ 3.74Å |
| 703 | N | 81.3 | Confident | 87.9 | Confident | 58 Ų | 58 | 41.6 Ų | 41.6 | 31% | 0.31 | 22% | 0.22 | S | C | . | . | trans | -147.8 | 98.9 | 176.3 | -177 | -31.8 | 0 | 0 | 0 | 110.1 | E705 M706 D707 | N703-E705 VanDerWaalsContact C-N 3.27Å; N703-E705 PolarHBondContact O-N 2.71Å; N703-E705 PolarHBondContact OD1-N 2.89Å; N703-M706 HydrophobicContact CB-CB 3.97Å; N703-M706 HydrophobicContact CB-CG 4.18Å; N703-M706 PolarHBondContact O-N 2.72Å; N703-M706 VanDerWaalsContact O-N 3.09Å; N703-M706 PolarHBondContact OD1-N 3.2Å; N703-M706 VanDerWaalsContact OD1-N 3.07Å; N703-D707 PolarHBondContact O-N 3.01Å; N703-D707 VanDerWaalsContact O-OD1 3.07Å | ||
| 704 | A | 86.4 | Confident | 87.8 | Confident | 77 Ų | 77 | 41.8 Ų | 41.8 | 64% | 0.636 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -58 | -34.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | D707 E708 | A704-D707 PolarHBondContact O-N 3.42Å; A704-E708 WeakPolarHBondContact O-CG 3.33Å; A704-E708 PolarHBondContact O-N 2.69Å; A704-E708 VanDerWaalsContact O-N 3.14Å |
| 705 | E | 89.1 | Confident | 87.5 | Confident | 121 Ų | 121 | 42.2 Ų | 42.2 | 57% | 0.565 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -67.8 | -45.2 | 176.8 | -169.9 | -161.2 | 138.7 | 0 | 0 | 111 | N703 D707 E708 L709 R846 | N703-E705 VanDerWaalsContact C-N 3.27Å; N703-E705 PolarHBondContact O-N 2.71Å; N703-E705 PolarHBondContact OD1-N 2.89Å; E705-D707 VanDerWaalsContact C-N 3.33Å; E705-D707 PolarHBondContact O-N 3.46Å; E705-E708 PolarHBondContact O-N 3.25Å; E705-L709 HydrophobicContact CG-CD1 4.49Å; E705-L709 WeakPolarHBondContact O-CG 3.45Å; E705-L709 PolarHBondContact O-N 2.86Å; E705-L709 VanDerWaalsContact O-N 3.12Å; E705-R846 IonicContact OE1-NH2 3.87Å |
| 706 | M | 88.6 | Confident | 87.5 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.034 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.8 | -37.9 | 176.2 | -75.4 | -66.9 | -60 | 0 | 0 | 111.9 | Y698 N703 L709 C710 R846 V847 | Y698-M706 WeakPolarHBondContact OH-CB 3.47Å; N703-M706 HydrophobicContact CB-CB 3.97Å; N703-M706 HydrophobicContact CB-CG 4.18Å; N703-M706 PolarHBondContact O-N 2.72Å; N703-M706 VanDerWaalsContact O-N 3.09Å; N703-M706 PolarHBondContact OD1-N 3.2Å; N703-M706 VanDerWaalsContact OD1-N 3.07Å; M706-L709 PolarHBondContact O-N 3.24Å; M706-C710 WeakPolarHBondContact O-CB 3.45Å; M706-C710 PolarHBondContact O-N 2.98Å; M706-C710 PolarHBondContact O-SG 3.5Å; M706-R846 HydrophobicContact CE-CB 3.8Å; M706-R846 HydrophobicContact SD-CB 4.21Å; M706-R846 PolarHBondContact SD-NE 2.89Å; M706-R846 PolarHBondContact SD-NH2 3.36Å; M706-R846 VanDerWaalsContact SD-NH2 3.42Å; M706-V847 HydrophobicContact CE-CG2 3.98Å |
| 707 | D | 90 | Very high | 87.4 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.053 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 178.4 | -66.4 | -1.8 | 0 | 0 | 0 | 111.2 | Y698 W700 G701 N703 A704 E705 L709 C710 K711 | Y698-D707 WeakPolarHBondContact CE1-OD1 3.41Å; Y698-D707 PolarHBondContact OH-N 3.32Å; Y698-D707 PolarHBondContact OH-OD1 3.46Å; W700-D707 HydrophobicContact CE3-CB 3.92Å; W700-D707 HydrophobicContact CZ3-CB 3.97Å; G701-D707 WeakPolarHBondContact CA-OD2 3.21Å; G701-D707 PolarHBondContact N-OD2 3.37Å; N703-D707 PolarHBondContact O-N 3.01Å; N703-D707 VanDerWaalsContact O-OD1 3.07Å; A704-D707 PolarHBondContact O-N 3.42Å; E705-D707 VanDerWaalsContact C-N 3.33Å; E705-D707 PolarHBondContact O-N 3.46Å; D707-L709 VanDerWaalsContact C-N 3.34Å; D707-L709 PolarHBondContact O-N 2.68Å; D707-C710 PolarHBondContact O-N 2.96Å; D707-K711 WeakPolarHBondContact O-CG 3.32Å; D707-K711 PolarHBondContact O-N 2.96Å |
| 708 | E | 92.9 | Very high | 87.4 | Confident | 80 Ų | 80 | 46.7 Ų | 46.7 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.1 | -39.7 | 176.2 | -77.4 | -61.5 | 118.9 | 0 | 0 | 112.4 | A704 E705 K711 K712 | A704-E708 WeakPolarHBondContact O-CG 3.33Å; A704-E708 PolarHBondContact O-N 2.69Å; A704-E708 VanDerWaalsContact O-N 3.14Å; E705-E708 PolarHBondContact O-N 3.25Å; E708-K711 IonicContact OE1-NZ 2.75Å; E708-K712 WeakPolarHBondContact O-CB 3.47Å; E708-K712 WeakPolarHBondContact O-CG 3.07Å; E708-K712 PolarHBondContact O-N 3.49Å; E708-K712 VanDerWaalsContact OE2-CE 3.28Å; E708-K712 WeakPolarHBondContact OE2-CE 3.13Å; E708-K712 IonicContact OE2-NZ 3.69Å; E708-K712 PolarHBondContact OE2-NZ 3.21Å |
| 709 | L | 91.8 | Very high | 87.3 | Confident | 35 Ų | 35 | 47.4 Ų | 47.4 | 18% | 0.183 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -41.4 | 174.8 | -71.2 | 169.9 | 0 | 0 | 0 | 111.8 | E705 M706 D707 K713 L714 L843 | E705-L709 HydrophobicContact CG-CD1 4.49Å; E705-L709 WeakPolarHBondContact O-CG 3.45Å; E705-L709 PolarHBondContact O-N 2.86Å; E705-L709 VanDerWaalsContact O-N 3.12Å; M706-L709 PolarHBondContact O-N 3.24Å; D707-L709 VanDerWaalsContact C-N 3.34Å; D707-L709 PolarHBondContact O-N 2.68Å; L709-K713 HydrophobicContact CD2-CD 4.2Å; L709-K713 WeakPolarHBondContact O-CB 3.34Å; L709-K713 PolarHBondContact O-N 3.21Å; L709-L714 PolarHBondContact O-N 3.22Å; L709-L843 HydrophobicContact CB-CD2 4.19Å; L709-L843 HydrophobicContact CD1-CD2 4.03Å; L709-L843 HydrophobicContact CG-CD2 4.5Å |
| 710 | C | 91.1 | Very high | 87 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -63.9 | -41.2 | 177.7 | -70.9 | 0 | 0 | 0 | 0 | 111.6 | Y698 W700 M706 D707 L714 G715 L716 | Y698-C710 VanDerWaalsContact CE2-SG 3.59Å; W700-C710 HydrophobicContact CH2-CB 4.36Å; M706-C710 WeakPolarHBondContact O-CB 3.45Å; M706-C710 PolarHBondContact O-N 2.98Å; M706-C710 PolarHBondContact O-SG 3.5Å; D707-C710 PolarHBondContact O-N 2.96Å; C710-L714 CarbonylContact O-C 3.59Å; C710-L714 WeakPolarHBondContact O-CA 3.24Å; C710-L714 WeakPolarHBondContact O-CB 3.34Å; C710-L714 PolarHBondContact O-N 2.97Å; C710-G715 PolarHBondContact O-N 3.42Å; C710-L716 HydrophobicContact CB-CB 4.31Å; C710-L716 HydrophobicContact CB-CD1 4.14Å; C710-L716 PolarHBondContact O-N 3.33Å |
| 711 | K | 90.4 | Very high | 86.6 | Confident | 70 Ų | 70 | 49.6 Ų | 49.6 | 30% | 0.304 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -64 | -55.9 | 174.1 | -70 | 171 | -175.7 | 175.1 | 0 | 111.8 | W700 D707 E708 G715 L716 Q718 | W700-K711 HydrophobicContact CH2-CG 3.75Å; W700-K711 HydrophobicContact CZ3-CD 4.17Å; W700-K711 VanDerWaalsContact CZ3-CE 3.48Å; W700-K711 HydrophobicContact CZ3-CG 3.76Å; D707-K711 WeakPolarHBondContact O-CG 3.32Å; D707-K711 PolarHBondContact O-N 2.96Å; E708-K711 IonicContact OE1-NZ 2.75Å; K711-G715 WeakPolarHBondContact O-CA 3.45Å; K711-G715 PolarHBondContact O-N 3.26Å; K711-L716 WeakPolarHBondContact CA-O 3.42Å; K711-Q718 VanDerWaalsContact CE-OE1 3.31Å |
| 712 | K | 88.2 | Confident | 86.5 | Confident | 146 Ų | 146 | 50 Ų | 50 | 64% | 0.635 | 27% | 0.273 | S | S | * | . | I | π-helix | trans | -75.2 | -38.2 | -169.9 | -71.2 | 174.8 | 177.7 | 150.2 | 0 | 114 | E708 I785 | E708-K712 WeakPolarHBondContact O-CB 3.47Å; E708-K712 WeakPolarHBondContact O-CG 3.07Å; E708-K712 PolarHBondContact O-N 3.49Å; E708-K712 VanDerWaalsContact OE2-CE 3.28Å; E708-K712 WeakPolarHBondContact OE2-CE 3.13Å; E708-K712 IonicContact OE2-NZ 3.69Å; E708-K712 PolarHBondContact OE2-NZ 3.21Å; K712-I785 WeakPolarHBondContact O-CD1 3.42Å |
| 713 | K | 88.6 | Confident | 86.8 | Confident | 70 Ų | 70 | 48.4 Ų | 48.4 | 30% | 0.304 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -107.6 | -31.6 | -171.6 | -62.6 | -164.9 | 174.3 | -160 | 0 | 113.9 | L709 E839 L843 | L709-K713 HydrophobicContact CD2-CD 4.2Å; L709-K713 WeakPolarHBondContact O-CB 3.34Å; L709-K713 PolarHBondContact O-N 3.21Å; K713-E839 IonicContact NZ-OE1 3.87Å; K713-E839 PolarHBondContact NZ-OE1 2.94Å; K713-E839 IonicContact NZ-OE2 2.78Å; K713-E839 PolarHBondContact NZ-OE2 2.92Å; K713-L843 HydrophobicContact CB-CD1 3.57Å; K713-L843 HydrophobicContact CD-CD1 3.75Å; K713-L843 HydrophobicContact CG-CD1 4.24Å |
| 714 | L | 90.3 | Very high | 87 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -96.1 | -18.7 | 177.8 | -56.4 | -177 | 0 | 0 | 0 | 112.8 | L709 C710 L716 F784 I840 L843 W844 V847 | L709-L714 PolarHBondContact O-N 3.22Å; C710-L714 CarbonylContact O-C 3.59Å; C710-L714 WeakPolarHBondContact O-CA 3.24Å; C710-L714 WeakPolarHBondContact O-CB 3.34Å; C710-L714 PolarHBondContact O-N 2.97Å; L714-L716 VanDerWaalsContact C-N 3.34Å; L714-L716 HydrophobicContact CB-CG 4.29Å; L714-F784 WeakPolarHBondContact O-CB 3.41Å; L714-F784 VanDerWaalsContact O-CD2 3.28Å; L714-F784 WeakPolarHBondContact O-CD2 3.47Å; L714-I840 HydrophobicContact CD2-CG2 4.1Å; L714-L843 HydrophobicContact CD1-CB 4.33Å; L714-L843 HydrophobicContact CD2-CB 3.95Å; L714-L843 HydrophobicContact CD2-CD1 4.23Å; L714-L843 HydrophobicContact CG-CB 4.37Å; L714-W844 HydrophobicContact CB-CH2 4.3Å; L714-W844 HydrophobicContact CB-CZ2 4.04Å; L714-W844 HydrophobicContact CD1-CD2 4.07Å; L714-W844 HydrophobicContact CD1-CE3 4.03Å; L714-W844 HydrophobicContact CD1-CH2 3.96Å; L714-W844 HydrophobicContact CD1-CZ2 4.03Å; L714-W844 HydrophobicContact CD1-CZ3 3.98Å; L714-W844 HydrophobicContact CD2-CD2 4.22Å; L714-W844 HydrophobicContact CD2-CG 4.43Å; L714-W844 HydrophobicContact CD2-CZ2 4.01Å; L714-W844 HydrophobicContact CG-CZ2 4.25Å; L714-V847 HydrophobicContact CD1-CG2 3.92Å |
| 715 | G | 88.4 | Confident | 87 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | trans | 74.4 | 21.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q691 C710 K711 | Q691-G715 PolarHBondContact NE2-O 3.38Å; C710-G715 PolarHBondContact O-N 3.42Å; K711-G715 WeakPolarHBondContact O-CA 3.45Å; K711-G715 PolarHBondContact O-N 3.26Å | ||
| 716 | L | 91.5 | Very high | 86.7 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | trans | -74.1 | 146.8 | 172.8 | -62.5 | -175 | 0 | 0 | 0 | 110.6 | L694 Y698 W700 C710 K711 L714 F784 W844 | L694-L716 HydrophobicContact CB-CD2 3.73Å; Y698-L716 HydrophobicContact CD2-CD1 4.37Å; Y698-L716 HydrophobicContact CG-CD1 4.35Å; W700-L716 HydrophobicContact CH2-CB 3.96Å; W700-L716 HydrophobicContact CZ2-CB 3.9Å; C710-L716 HydrophobicContact CB-CB 4.31Å; C710-L716 HydrophobicContact CB-CD1 4.14Å; C710-L716 PolarHBondContact O-N 3.33Å; K711-L716 WeakPolarHBondContact CA-O 3.42Å; L714-L716 VanDerWaalsContact C-N 3.34Å; L714-L716 HydrophobicContact CB-CG 4.29Å; L716-F784 HydrophobicContact CD2-CD2 4.13Å; L716-F784 HydrophobicContact CD2-CE2 4.1Å; L716-W844 HydrophobicContact CD1-CH2 4.34Å; L716-W844 HydrophobicContact CD2-CH2 4.27Å; L716-W844 HydrophobicContact CG-CH2 4.46Å | ||
| 717 | I | 88.7 | Confident | 86.2 | Confident | 43 Ų | 43 | 38 Ų | 38 | 22% | 0.221 | 20% | 0.198 | C | C | . | . | trans | -113.1 | 131.1 | -175.1 | -50.8 | 174.6 | 0 | 0 | 0 | 108.5 | F395 S695 W700 | F395-I717 HydrophobicContact CB-CG2 4.06Å; F395-I717 HydrophobicContact CD1-CB 4.01Å; F395-I717 HydrophobicContact CD1-CG2 3.44Å; F395-I717 VanDerWaalsContact CD1-CG2 3.44Å; F395-I717 HydrophobicContact CD2-CG2 4.34Å; F395-I717 HydrophobicContact CE1-CB 3.99Å; F395-I717 HydrophobicContact CE1-CG2 3.94Å; F395-I717 WeakPolarHBondContact CE1-O 3.49Å; F395-I717 HydrophobicContact CG-CB 4.34Å; F395-I717 HydrophobicContact CG-CG2 3.7Å; F395-I717 HydrophobicContact CZ-CB 4.28Å; S695-I717 WeakPolarHBondContact CB-O 3.49Å; S695-I717 PolarHBondContact OG-N 3.38Å; W700-I717 VanDerWaalsContact CZ2-O 3.26Å; W700-I717 WeakPolarHBondContact CZ2-O 3.5Å | ||
| 718 | Q | 88.6 | Confident | 85.5 | Confident | 67 Ų | 67 | 39.7 Ų | 39.7 | 31% | 0.313 | 21% | 0.208 | S | C | . | . | trans | -79 | 129.6 | 176.6 | -177.1 | 173.6 | 4.1 | 0 | 0 | 109.5 | F395 W700 K711 | F395-Q718 WeakPolarHBondContact CD1-O 3.32Å; W700-Q718 HydrophobicContact CB-CG 4.22Å; W700-Q718 HydrophobicContact CD2-CB 3.79Å; W700-Q718 HydrophobicContact CD2-CG 3.73Å; W700-Q718 HydrophobicContact CE3-CB 3.91Å; W700-Q718 HydrophobicContact CE3-CG 4.03Å; W700-Q718 HydrophobicContact CG-CB 4.37Å; W700-Q718 HydrophobicContact CG-CG 3.82Å; W700-Q718 HydrophobicContact CH2-CB 4.22Å; W700-Q718 HydrophobicContact CZ2-CB 4.11Å; W700-Q718 HydrophobicContact CZ3-CB 4.14Å; K711-Q718 VanDerWaalsContact CE-OE1 3.31Å | ||
| 719 | P | 85.7 | Confident | 84.3 | Confident | 21 Ų | 21 | 36.6 Ų | 36.6 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | trans | -65.9 | 145.3 | 174.6 | 29.9 | -36.1 | 0 | 0 | 0 | 110.7 | F394 F395 W700 G721 I723 | F394-P719 WeakPolarHBondContact O-CA 3.35Å; F395-P719 HydrophobicContact CD1-CB 4.42Å; F395-P719 HydrophobicContact CE1-CB 4.02Å; W700-P719 VanDerWaalsContact CD1-CD 3.45Å; P719-G721 PolarHBondContact O-N 2.78Å; P719-I723 HydrophobicContact CB-CD1 4.24Å; P719-I723 HydrophobicContact CB-CG1 4.33Å; P719-I723 HydrophobicContact CG-CD1 3.93Å; P719-I723 HydrophobicContact CG-CG1 4.39Å | ||
| 720 | D | 78.1 | Confident | 82.8 | Confident | 82 Ų | 82 | 38.3 Ų | 38.3 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -72.7 | -18.1 | -178.9 | -63.9 | -52.4 | 0 | 0 | 0 | 113.1 | F394 F395 L396 | F394-D720 PolarHBondContact O-N 3.22Å; F394-D720 VanDerWaalsContact O-N 3.09Å; F395-D720 WeakPolarHBondContact CA-OD2 3.24Å; L396-D720 WeakPolarHBondContact CA-OD2 3.37Å; L396-D720 VanDerWaalsContact CB-OD2 3.25Å; L396-D720 WeakPolarHBondContact CB-OD2 3.32Å; L396-D720 PolarHBondContact N-OD2 2.73Å |
| 721 | G | 75.6 | Confident | 81.3 | Confident | 36 Ų | 36 | 41.4 Ų | 41.4 | 37% | 0.371 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -150 | 178.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P719 | P719-G721 PolarHBondContact O-N 2.78Š|
| 722 | P | 74.9 | Confident | 80.2 | Confident | 46 Ų | 46 | 42.8 Ų | 42.8 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -64.6 | 146.1 | 178.1 | 28.1 | -34.5 | 0 | 0 | 0 | 111.8 | A740 L751 | P722-A740 HydrophobicContact CB-CB 4.5Å; P722-L751 HydrophobicContact CB-CD1 3.88Å; P722-L751 HydrophobicContact CB-CD2 3.54Å; P722-L751 HydrophobicContact CB-CG 4.35Å |
| 723 | I | 82.3 | Confident | 79.6 | Confident | 27 Ų | 27 | 36.6 Ų | 36.6 | 14% | 0.138 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -101 | 127.1 | 179.5 | -56.9 | 159.1 | 0 | 0 | 0 | 108.8 | V22 L696 P719 F725 | V22-I723 HydrophobicContact CG1-CG2 3.86Å; L696-I723 HydrophobicContact CB-CD1 3.82Å; L696-I723 HydrophobicContact CD2-CD1 3.45Å; L696-I723 VanDerWaalsContact CD2-CD1 3.45Å; L696-I723 HydrophobicContact CD2-CG1 3.94Å; L696-I723 HydrophobicContact CG-CD1 4.23Å; L696-I723 WeakPolarHBondContact O-CD1 3.37Å; P719-I723 HydrophobicContact CB-CD1 4.24Å; P719-I723 HydrophobicContact CB-CG1 4.33Å; P719-I723 HydrophobicContact CG-CD1 3.93Å; P719-I723 HydrophobicContact CG-CG1 4.39Å; I723-F725 HydrophobicContact CB-CD2 4.41Å; I723-F725 HydrophobicContact CB-CE2 3.72Å; I723-F725 HydrophobicContact CB-CZ 3.88Å; I723-F725 HydrophobicContact CD1-CZ 4.24Å; I723-F725 HydrophobicContact CG2-CD1 4.3Å; I723-F725 HydrophobicContact CG2-CD2 4.16Å; I723-F725 HydrophobicContact CG2-CE1 3.84Å; I723-F725 HydrophobicContact CG2-CE2 3.68Å; I723-F725 HydrophobicContact CG2-CG 4.46Å; I723-F725 HydrophobicContact CG2-CZ 3.51Å; I723-F725 WeakPolarHBondContact O-CD2 3.32Å |
| 724 | S | 85.6 | Confident | 79.2 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 128.1 | 169 | -69.5 | 0 | 0 | 0 | 0 | 109.8 | V23 W25 A737 P739 | V23-S724 PolarHBondContact N-O 3.32Å; W25-S724 PolarHBondContact NE1-OG 2.82Å; S724-A737 VanDerWaalsContact CB-O 3.3Å; S724-A737 WeakPolarHBondContact CB-O 3.45Å; S724-A737 PolarHBondContact OG-O 3.48Å; S724-P739 VanDerWaalsContact OG-CA 3.29Å; S724-P739 WeakPolarHBondContact OG-CA 3.45Å |
| 725 | F | 87.1 | Confident | 78.8 | Confident | 16 Ų | 16 | 33.3 Ų | 33.3 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 154.1 | 178.5 | -67.1 | -81.7 | 0 | 0 | 0 | 111.1 | V22 L697 I723 A737 L761 H765 | V22-F725 HydrophobicContact CG2-CD1 4.07Å; V22-F725 HydrophobicContact CG2-CE1 4.02Å; L697-F725 HydrophobicContact CD2-CE1 4.2Å; I723-F725 HydrophobicContact CB-CD2 4.41Å; I723-F725 HydrophobicContact CB-CE2 3.72Å; I723-F725 HydrophobicContact CB-CZ 3.88Å; I723-F725 HydrophobicContact CD1-CZ 4.24Å; I723-F725 HydrophobicContact CG2-CD1 4.3Å; I723-F725 HydrophobicContact CG2-CD2 4.16Å; I723-F725 HydrophobicContact CG2-CE1 3.84Å; I723-F725 HydrophobicContact CG2-CE2 3.68Å; I723-F725 HydrophobicContact CG2-CG 4.46Å; I723-F725 HydrophobicContact CG2-CZ 3.51Å; I723-F725 WeakPolarHBondContact O-CD2 3.32Å; F725-A737 VanDerWaalsContact O-CB 3.25Å; F725-A737 WeakPolarHBondContact O-CB 3.43Å; F725-A737 PolarHBondContact O-N 2.9Å; F725-L761 HydrophobicContact CB-CD2 4.14Å; F725-H765 AromaticContact CD1-CE1 3.33Å; F725-H765 WeakPolarHBondContact CD1-CE1 3.34Å; F725-H765 AromaticContact CD1-NE2 3.54Å; F725-H765 AromaticContact CD2-CE1 3.7Å; F725-H765 AromaticContact CE1-CE1 3.51Å; F725-H765 AromaticContact CE1-NE2 4Å; F725-H765 AromaticContact CE2-CE1 3.85Å; F725-H765 AromaticContact CG-CE1 3.43Å; F725-H765 VanDerWaalsContact CG-CE1 3.43Å; F725-H765 WeakPolarHBondContact CG-CE1 3.28Å; F725-H765 AromaticContact CG-NE2 3.82Å; F725-H765 AromaticContact CZ-CE1 3.76Å |
| 726 | G | 82.5 | Confident | 78.7 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 162.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | A21 S735 L761 | A21-G726 PolarHBondContact O-N 3.1Å; G726-S735 CarbonylContact C-O 3.51Å; G726-S735 WeakPolarHBondContact CA-O 3.2Å; G726-L761 VanDerWaalsContact O-CD1 3.3Å; G726-L761 WeakPolarHBondContact O-CD1 3.03Å |
| 727 | F | 77.9 | Confident | 78.4 | Confident | 18 Ų | 18 | 33 Ų | 33 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 136 | 174.4 | 174.7 | -99.4 | 0 | 0 | 0 | 109.2 | R111 V734 S735 L761 | R111-F727 HydrophobicContact CG-CE1 4.05Å; F727-V734 CarbonylContact O-C 3.46Å; F727-V734 WeakPolarHBondContact O-CA 3.43Å; F727-S735 PolarHBondContact N-O 3.14Å; F727-S735 PolarHBondContact O-N 3.17Å; F727-L761 HydrophobicContact CB-CD1 4.34Å; F727-L761 HydrophobicContact CD2-CB 4.32Å |
| 728 | V | 75.1 | Confident | 78.2 | Confident | 46 Ų | 46 | 31.6 Ų | 31.6 | 28% | 0.279 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.7 | 172.3 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | F636 H733 V734 | F636-V728 HydrophobicContact CD1-CG2 4.5Å; F636-V728 HydrophobicContact CE1-CG2 3.49Å; F636-V728 VanDerWaalsContact CE1-CG2 3.49Å; F636-V728 HydrophobicContact CZ-CG2 4.06Å; V728-H733 CarbonylContact C-O 3.45Å; V728-H733 WeakPolarHBondContact CA-O 3.33Å; V728-V734 HydrophobicContact CG2-CG1 4.5Å; V728-V734 HydrophobicContact CG2-CG2 4.24Å |
| 729 | S | 68.5 | Low | 77.8 | Confident | 15 Ų | 15 | 29.2 Ų | 29.2 | 11% | 0.105 | 17% | 0.173 | C | C | . | . | trans | -74.8 | 165.9 | 177 | 81.8 | 0 | 0 | 0 | 0 | 111.5 | D731 R732 H733 | S729-D731 PolarHBondContact O-N 2.9Å; S729-D731 PolarHBondContact OG-N 2.83Å; S729-R732 WeakPolarHBondContact O-CA 3.29Å; S729-R732 PolarHBondContact O-N 2.82Å; S729-R732 PolarHBondContact OG-N 3.43Å; S729-H733 PolarHBondContact N-O 2.84Å; S729-H733 WeakPolarHBondContact OG-CB 3.04Å; S729-H733 PolarHBondContact OG-N 2.5Å | ||
| 730 | A | 59.5 | Low | 77 | Confident | 70 Ų | 70 | 29 Ų | 29 | 58% | 0.579 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -30.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R732 | A730-R732 PolarHBondContact O-N 3.25Š|
| 731 | D | 59.8 | Low | 76.4 | Confident | 68 Ų | 68 | 26.5 Ų | 26.5 | 36% | 0.364 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 10.7 | 175 | -61.8 | -36.3 | 0 | 0 | 0 | 112.6 | S729 H733 | S729-D731 PolarHBondContact O-N 2.9Å; S729-D731 PolarHBondContact OG-N 2.83Å; D731-H733 VanDerWaalsContact C-N 3.26Å; D731-H733 PolarHBondContact O-N 3.37Å |
| 732 | R | 67 | Low | 75.6 | Confident | 98 Ų | 98 | 27 Ų | 27 | 37% | 0.37 | 16% | 0.16 | S | C | . | . | trans | 64.5 | 27.2 | 178.1 | -51.7 | -170 | -170 | 129 | 21 | 114.8 | L8 S729 A730 | L8-R732 HydrophobicContact CD1-CB 4.41Å; L8-R732 WeakPolarHBondContact CD1-O 3.42Å; L8-R732 HydrophobicContact CD2-CB 4.14Å; S729-R732 WeakPolarHBondContact O-CA 3.29Å; S729-R732 PolarHBondContact O-N 2.82Å; S729-R732 PolarHBondContact OG-N 3.43Å; A730-R732 PolarHBondContact O-N 3.25Å | ||
| 733 | H | 75.7 | Confident | 74.7 | Confident | 16 Ų | 16 | 31.7 Ų | 31.7 | 7% | 0.074 | 18% | 0.178 | C | C | . | . | trans | -83.3 | 135.5 | 168.7 | -62.6 | -51.7 | 0 | 0 | 0 | 109.5 | M73 G74 W106 C112 V728 S729 D731 | M73-H733 WeakPolarHBondContact O-CA 3.25Å; G74-H733 WeakPolarHBondContact CA-ND1 3.46Å; G74-H733 PolarHBondContact O-CE1 2.86Å; W106-H733 HydrophobicContact CH2-CB 3.8Å; W106-H733 AromaticContact CH2-CG 3.84Å; W106-H733 HydrophobicContact CZ3-CB 4.14Å; C112-H733 HydrophobicContact CB-CB 4.39Å; C112-H733 WeakPolarHBondContact CB-CD2 2.98Å; V728-H733 CarbonylContact C-O 3.45Å; V728-H733 WeakPolarHBondContact CA-O 3.33Å; S729-H733 PolarHBondContact N-O 2.84Å; S729-H733 WeakPolarHBondContact OG-CB 3.04Å; S729-H733 PolarHBondContact OG-N 2.5Å; D731-H733 VanDerWaalsContact C-N 3.26Å; D731-H733 PolarHBondContact O-N 3.37Å | ||
| 734 | V | 79.7 | Confident | 73.3 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 132.9 | -176.1 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | F72 M73 F727 V728 L736 | F72-V734 CarbonylContact C-O 3.6Å; F72-V734 VanDerWaalsContact CA-O 3.3Å; F72-V734 WeakPolarHBondContact CA-O 3.36Å; M73-V734 HydrophobicContact CB-CB 4.28Å; M73-V734 PolarHBondContact N-O 3.26Å; M73-V734 PolarHBondContact O-N 3.12Å; F727-V734 CarbonylContact O-C 3.46Å; F727-V734 WeakPolarHBondContact O-CA 3.43Å; V728-V734 HydrophobicContact CG2-CG1 4.5Å; V728-V734 HydrophobicContact CG2-CG2 4.24Å; V734-L736 HydrophobicContact CG1-CD2 3.49Å; V734-L736 VanDerWaalsContact CG1-CD2 3.49Å; V734-L736 HydrophobicContact CG1-CG 3.89Å |
| 735 | S | 82.1 | Confident | 71.6 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.9 | 171.9 | 174.8 | 0 | 0 | 0 | 0 | 108.6 | I71 F72 G726 F727 | I71-S735 CarbonylContact O-C 3.6Å; I71-S735 WeakPolarHBondContact O-CA 3.21Å; F72-S735 VanDerWaalsContact CD1-OG 3.32Å; F72-S735 WeakPolarHBondContact CD1-OG 3.34Å; F72-S735 VanDerWaalsContact CE1-OG 3.23Å; F72-S735 WeakPolarHBondContact CE1-OG 3.33Å; G726-S735 CarbonylContact C-O 3.51Å; G726-S735 WeakPolarHBondContact CA-O 3.2Å; F727-S735 PolarHBondContact N-O 3.14Å; F727-S735 PolarHBondContact O-N 3.17Å |
| 736 | L | 86.6 | Confident | 69.8 | Low | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 118.8 | -174.8 | -55.5 | 178.3 | 0 | 0 | 0 | 109.6 | V23 W25 H70 I71 M73 I624 T632 V634 V734 | V23-L736 HydrophobicContact CG1-CB 4.49Å; V23-L736 HydrophobicContact CG2-CB 4.19Å; V23-L736 HydrophobicContact CG2-CD2 3.66Å; V23-L736 HydrophobicContact CG2-CG 4.47Å; W25-L736 HydrophobicContact CH2-CB 4.27Å; W25-L736 HydrophobicContact CZ2-CB 4.16Å; H70-L736 CarbonylContact C-O 3.59Å; H70-L736 VanDerWaalsContact CA-O 3.26Å; H70-L736 WeakPolarHBondContact CA-O 3.28Å; I71-L736 PolarHBondContact N-O 2.88Å; I71-L736 PolarHBondContact O-N 2.95Å; M73-L736 HydrophobicContact SD-CD1 4.08Å; I624-L736 HydrophobicContact CD1-CD1 3.47Å; I624-L736 VanDerWaalsContact CD1-CD1 3.47Å; T632-L736 HydrophobicContact CG2-CD1 4.39Å; V634-L736 HydrophobicContact CG1-CD2 4.19Å; V634-L736 HydrophobicContact CG2-CD1 3.95Å; V634-L736 HydrophobicContact CG2-CD2 3.67Å; V734-L736 HydrophobicContact CG1-CD2 3.49Å; V734-L736 VanDerWaalsContact CG1-CD2 3.49Å; V734-L736 HydrophobicContact CG1-CG 3.89Å |
| 737 | A | 85.1 | Confident | 67.9 | Low | 6 Ų | 6 | 44 Ų | 44 | 5% | 0.05 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 134.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | W25 H70 S724 F725 | W25-A737 WeakPolarHBondContact CZ2-O 3.35Å; W25-A737 PolarHBondContact NE1-O 2.93Å; H70-A737 WeakPolarHBondContact ND1-CA 3.3Å; S724-A737 VanDerWaalsContact CB-O 3.3Å; S724-A737 WeakPolarHBondContact CB-O 3.45Å; S724-A737 PolarHBondContact OG-O 3.48Å; F725-A737 VanDerWaalsContact O-CB 3.25Å; F725-A737 WeakPolarHBondContact O-CB 3.43Å; F725-A737 PolarHBondContact O-N 2.9Å |
| 738 | F | 85.6 | Confident | 66.3 | Low | 14 Ų | 14 | 48 Ų | 48 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 156.3 | 170.7 | -81.9 | -77.2 | 0 | 0 | 0 | 111.6 | W25 P30 P68 L69 I71 L331 W335 | W25-F738 HydrophobicContact CH2-CD1 4.12Å; W25-F738 AromaticContact CH2-CE1 3.95Å; W25-F738 HydrophobicContact CH2-CE1 3.95Å; W25-F738 HydrophobicContact CH2-CZ 4.37Å; W25-F738 AromaticContact CZ2-CD1 3.97Å; W25-F738 HydrophobicContact CZ2-CD1 3.97Å; W25-F738 HydrophobicContact CZ2-CE1 4.28Å; W25-F738 HydrophobicContact CZ2-CG 4.28Å; W25-F738 HydrophobicContact CZ3-CE1 4.2Å; P30-F738 HydrophobicContact CG-CE1 4.46Å; P68-F738 HydrophobicContact CB-CD2 3.65Å; P68-F738 HydrophobicContact CB-CE2 3.59Å; P68-F738 HydrophobicContact CB-CG 4.2Å; P68-F738 HydrophobicContact CB-CZ 4.12Å; P68-F738 HydrophobicContact CG-CD2 4.24Å; P68-F738 HydrophobicContact CG-CE2 4.37Å; P68-F738 HydrophobicContact CG-CG 4.29Å; L69-F738 PolarHBondContact O-N 2.86Å; I71-F738 HydrophobicContact CB-CE2 4.43Å; I71-F738 HydrophobicContact CD1-CE1 4.11Å; I71-F738 HydrophobicContact CD1-CE2 3.88Å; I71-F738 HydrophobicContact CD1-CZ 3.32Å; I71-F738 HydrophobicContact CG1-CE2 3.6Å; I71-F738 HydrophobicContact CG1-CZ 3.6Å; L331-F738 HydrophobicContact CD1-CE1 3.91Å; L331-F738 HydrophobicContact CD1-CZ 3.84Å; L331-F738 HydrophobicContact CD2-CZ 4.25Å; W335-F738 HydrophobicContact CH2-CD1 4.43Å; W335-F738 HydrophobicContact CH2-CE1 4.41Å; W335-F738 AromaticContact CZ3-CD1 3.73Å; W335-F738 HydrophobicContact CZ3-CD1 3.73Å; W335-F738 AromaticContact CZ3-CE1 3.68Å; W335-F738 HydrophobicContact CZ3-CE1 3.68Å |
| 739 | P | 79.3 | Confident | 64.6 | Low | 16 Ų | 16 | 49.7 Ų | 49.7 | 10% | 0.104 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 138.4 | 175.9 | 28.7 | -29.2 | 0 | 0 | 0 | 109.7 | Y334 L338 P342 S724 | Y334-P739 PolarHBondContact OH-O 2.7Å; L338-P739 HydrophobicContact CD1-CG 4.09Å; L338-P739 HydrophobicContact CD2-CB 4.5Å; L338-P739 HydrophobicContact CD2-CG 4.13Å; P342-P739 HydrophobicContact CG-CG 3.95Å; S724-P739 VanDerWaalsContact OG-CA 3.29Å; S724-P739 WeakPolarHBondContact OG-CA 3.45Å |
| 740 | A | 69.2 | Low | 63.1 | Low | 16 Ų | 16 | 50.7 Ų | 50.7 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 153.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P722 E744 L751 | P722-A740 HydrophobicContact CB-CB 4.5Å; A740-E744 HydrophobicContact CB-CB 4.46Å; A740-L751 HydrophobicContact CB-CD2 3.38Å; A740-L751 HydrophobicContact CB-CG 4.11Å |
| 741 | S | 64.9 | Low | 62.2 | Low | 30 Ų | 30 | 49.1 Ų | 49.1 | 21% | 0.21 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 155.1 | 173.4 | 64.6 | 0 | 0 | 0 | 0 | 111.9 | E743 E744 A745 | S741-E743 PolarHBondContact O-N 2.91Å; S741-E744 PolarHBondContact N-OE2 2.66Å; S741-E744 PolarHBondContact O-N 2.74Å; S741-E744 WeakPolarHBondContact OG-CG 3.46Å; S741-E744 PolarHBondContact OG-OE2 2.93Å; S741-E744 VanDerWaalsContact OG-OE2 3.08Å; S741-A745 WeakPolarHBondContact O-CB 3.42Å; S741-A745 PolarHBondContact O-N 3.31Å |
| 742 | S | 59.1 | Low | 61.5 | Low | 46 Ų | 46 | 46.6 Ų | 46.6 | 32% | 0.322 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.2 | -31.4 | 179 | 67.2 | 0 | 0 | 0 | 0 | 113.9 | S339 A745 K746 | S339-S742 VanDerWaalsContact O-CB 3.28Å; S339-S742 WeakPolarHBondContact O-CB 3.09Å; S339-S742 PolarHBondContact O-N 3.38Å; S339-S742 PolarHBondContact OG-OG 3.35Å; S339-S742 VanDerWaalsContact OG-OG 3.09Å; S742-A745 WeakPolarHBondContact O-CB 3.48Å; S742-A745 PolarHBondContact O-N 2.76Å; S742-K746 PolarHBondContact O-N 3.08Å |
| 743 | E | 56.5 | Low | 60.2 | Low | 145 Ų | 145 | 43.5 Ų | 43.5 | 68% | 0.678 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -64.6 | -45.6 | 176.1 | -70.7 | -112.5 | 131.1 | 0 | 0 | 111.3 | S741 A745 K746 | S741-E743 PolarHBondContact O-N 2.91Å; E743-A745 PolarHBondContact O-N 2.78Å; E743-K746 PolarHBondContact O-N 2.8Å |
| 744 | E | 53.5 | Low | 58.7 | Low | 38 Ų | 38 | 44.3 Ų | 44.3 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.1 | -28.6 | 172.8 | -69.2 | 172.8 | 141.1 | 0 | 0 | 112 | Q67 A740 S741 D747 | Q67-E744 PolarHBondContact NE2-OE1 3.16Å; Q67-E744 PolarHBondContact NE2-OE2 3.3Å; Q67-E744 PolarHBondContact OE1-OE1 2.86Å; A740-E744 HydrophobicContact CB-CB 4.46Å; S741-E744 PolarHBondContact N-OE2 2.66Å; S741-E744 PolarHBondContact O-N 2.74Å; S741-E744 WeakPolarHBondContact OG-CG 3.46Å; S741-E744 PolarHBondContact OG-OE2 2.93Å; S741-E744 VanDerWaalsContact OG-OE2 3.08Å; E744-D747 CarbonylContact O-C 3.6Å; E744-D747 PolarHBondContact O-N 2.96Å; E744-D747 VanDerWaalsContact O-O 3.05Å |
| 745 | A | 49.3 | Very low | 57.1 | Low | 19 Ų | 19 | 44.9 Ų | 44.9 | 16% | 0.157 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.9 | -30.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S741 S742 E743 D747 Q748 L751 | S741-A745 WeakPolarHBondContact O-CB 3.42Å; S741-A745 PolarHBondContact O-N 3.31Å; S742-A745 WeakPolarHBondContact O-CB 3.48Å; S742-A745 PolarHBondContact O-N 2.76Å; E743-A745 PolarHBondContact O-N 2.78Å; A745-D747 PolarHBondContact O-N 3.46Å; A745-Q748 WeakPolarHBondContact O-CG 3.48Å; A745-Q748 PolarHBondContact O-N 3.39Å; A745-L751 HydrophobicContact CB-CD1 3.6Å; A745-L751 HydrophobicContact CB-CG 4.34Å |
| 746 | K | 49 | Very low | 55.4 | Low | 162 Ų | 162 | 46.7 Ų | 46.7 | 70% | 0.704 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.2 | -36.5 | 172.7 | -75 | 175.1 | -176.3 | 169.8 | 0 | 111.1 | S742 E743 Q748 | S742-K746 PolarHBondContact O-N 3.08Å; E743-K746 PolarHBondContact O-N 2.8Å; K746-Q748 PolarHBondContact O-N 3.44Å |
| 747 | D | 43.1 | Very low | 53.8 | Low | 93 Ų | 93 | 50.4 Ų | 50.4 | 50% | 0.497 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -84.2 | 66.9 | 172.4 | -134.5 | 27 | 0 | 0 | 0 | 107.6 | E744 A745 L749 T750 L751 | E744-D747 CarbonylContact O-C 3.6Å; E744-D747 PolarHBondContact O-N 2.96Å; E744-D747 VanDerWaalsContact O-O 3.05Å; A745-D747 PolarHBondContact O-N 3.46Å; D747-L749 PolarHBondContact O-N 2.91Å; D747-T750 WeakPolarHBondContact CB-OG1 3.24Å; D747-T750 VanDerWaalsContact CG-OG1 3.24Å; D747-T750 WeakPolarHBondContact O-CA 3.33Å; D747-T750 VanDerWaalsContact O-CB 3.26Å; D747-T750 WeakPolarHBondContact O-CB 3.41Å; D747-T750 PolarHBondContact O-N 2.84Å; D747-T750 PolarHBondContact O-OG1 2.79Å; D747-T750 PolarHBondContact OD2-OG1 2.96Å; D747-L751 PolarHBondContact O-N 3.41Å |
| 748 | Q | 43.5 | Very low | 52.9 | Low | 103 Ų | 103 | 50.6 Ų | 50.6 | 48% | 0.481 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -53.6 | -26.7 | -171.3 | -76.8 | -175 | -14.3 | 0 | 0 | 114 | A745 K746 T750 L751 | A745-Q748 WeakPolarHBondContact O-CG 3.48Å; A745-Q748 PolarHBondContact O-N 3.39Å; K746-Q748 PolarHBondContact O-N 3.44Å; Q748-T750 VanDerWaalsContact C-N 3.33Å; Q748-L751 WeakPolarHBondContact O-CB 3.3Å |
| 749 | L | 40.1 | Very low | 52.3 | Low | 80 Ų | 80 | 50.7 Ų | 50.7 | 42% | 0.419 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.8 | -31.9 | 171.7 | -79.6 | 162.1 | 0 | 0 | 0 | 112.9 | D747 S752 M858 | D747-L749 PolarHBondContact O-N 2.91Å; L749-S752 WeakPolarHBondContact O-CA 3.46Å; L749-S752 WeakPolarHBondContact O-CB 3.2Å; L749-S752 PolarHBondContact O-N 3.04Å; L749-S752 PolarHBondContact O-OG 2.94Å; L749-M858 HydrophobicContact CD1-SD 4.14Å; L749-M858 HydrophobicContact CD2-SD 3.88Å |
| 750 | T | 37.5 | Very low | 52.2 | Low | 37 Ų | 37 | 50.3 Ų | 50.3 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -82 | -31.3 | -177 | -43.4 | 0 | 0 | 0 | 0 | 111.9 | D747 Q748 S752 L753 R862 | D747-T750 WeakPolarHBondContact CB-OG1 3.24Å; D747-T750 VanDerWaalsContact CG-OG1 3.24Å; D747-T750 WeakPolarHBondContact O-CA 3.33Å; D747-T750 VanDerWaalsContact O-CB 3.26Å; D747-T750 WeakPolarHBondContact O-CB 3.41Å; D747-T750 PolarHBondContact O-N 2.84Å; D747-T750 PolarHBondContact O-OG1 2.79Å; D747-T750 PolarHBondContact OD2-OG1 2.96Å; Q748-T750 VanDerWaalsContact C-N 3.33Å; T750-S752 PolarHBondContact O-N 3.41Å; T750-L753 HydrophobicContact CG2-CD1 4.27Å; T750-L753 WeakPolarHBondContact O-CB 3.17Å; T750-L753 PolarHBondContact O-N 3.3Å; T750-R862 PolarHBondContact OG1-NH1 3.34Å |
| 751 | L | 40.3 | Very low | 52.6 | Low | 37 Ų | 37 | 49.9 Ų | 49.9 | 19% | 0.194 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -52.1 | -34.4 | 160.4 | -110.1 | 171.3 | 0 | 0 | 0 | 111.6 | P722 A740 A745 D747 Q748 L753 | P722-L751 HydrophobicContact CB-CD1 3.88Å; P722-L751 HydrophobicContact CB-CD2 3.54Å; P722-L751 HydrophobicContact CB-CG 4.35Å; A740-L751 HydrophobicContact CB-CD2 3.38Å; A740-L751 HydrophobicContact CB-CG 4.11Å; A745-L751 HydrophobicContact CB-CD1 3.6Å; A745-L751 HydrophobicContact CB-CG 4.34Å; D747-L751 PolarHBondContact O-N 3.41Å; Q748-L751 WeakPolarHBondContact O-CB 3.3Å; L751-L753 PolarHBondContact O-N 2.76Å |
| 752 | S | 43.8 | Very low | 53.3 | Low | 14 Ų | 14 | 48.5 Ų | 48.5 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -79.3 | 9.5 | 174.4 | 96.8 | 0 | 0 | 0 | 0 | 114.7 | L749 T750 W756 | L749-S752 WeakPolarHBondContact O-CA 3.46Å; L749-S752 WeakPolarHBondContact O-CB 3.2Å; L749-S752 PolarHBondContact O-N 3.04Å; L749-S752 PolarHBondContact O-OG 2.94Å; T750-S752 PolarHBondContact O-N 3.41Å; S752-W756 WeakPolarHBondContact O-CB 3.31Å |
| 753 | L | 39.8 | Very low | 54.5 | Low | 33 Ų | 33 | 46.3 Ų | 46.3 | 17% | 0.173 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -104.6 | -51 | 176.6 | -75.1 | 160.3 | 0 | 0 | 0 | 112.1 | T750 L751 A755 W756 L757 L859 R862 | T750-L753 HydrophobicContact CG2-CD1 4.27Å; T750-L753 WeakPolarHBondContact O-CB 3.17Å; T750-L753 PolarHBondContact O-N 3.3Å; L751-L753 PolarHBondContact O-N 2.76Å; L753-A755 PolarHBondContact O-N 2.66Å; L753-W756 CarbonylContact O-C 3.53Å; L753-W756 VanDerWaalsContact O-C 3.25Å; L753-W756 PolarHBondContact O-N 2.75Å; L753-L757 WeakPolarHBondContact O-CG 2.99Å; L753-L757 PolarHBondContact O-N 2.76Å; L753-L859 HydrophobicContact CD2-CD2 4.26Å; L753-R862 HydrophobicContact CD1-CB 4.43Å; L753-R862 VanDerWaalsContact CD1-CD 3.4Å; L753-R862 VanDerWaalsContact CD1-NH1 3.32Å; L753-R862 HydrophobicContact CD2-CB 4.05Å |
| 754 | T | 44.5 | Very low | 55.9 | Low | 34 Ų | 34 | 40.5 Ų | 40.5 | 21% | 0.209 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.6 | -37.7 | -175.3 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | L69 H70 W756 | L69-T754 HydrophobicContact CD2-CG2 3.95Å; H70-T754 PolarHBondContact NE2-O 2.98Å; H70-T754 VanDerWaalsContact NE2-O 3.15Å; T754-W756 PolarHBondContact O-N 2.81Å |
| 755 | A | 46.6 | Very low | 57.5 | Low | 14 Ų | 14 | 39 Ų | 39 | 12% | 0.116 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -15.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L753 L761 | L753-A755 PolarHBondContact O-N 2.66Å; A755-L761 WeakPolarHBondContact O-CD2 3.34Å |
| 756 | W | 46.8 | Very low | 59.4 | Low | 41 Ų | 41 | 38.2 Ų | 38.2 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 24.9 | -171.2 | -49.8 | 61.1 | 0 | 0 | 0 | 112.3 | S752 L753 T754 I762 H765 | S752-W756 WeakPolarHBondContact O-CB 3.31Å; L753-W756 CarbonylContact O-C 3.53Å; L753-W756 VanDerWaalsContact O-C 3.25Å; L753-W756 PolarHBondContact O-N 2.75Å; T754-W756 PolarHBondContact O-N 2.81Å; W756-I762 HydrophobicContact CB-CD1 3.62Å; W756-I762 HydrophobicContact CB-CG1 3.79Å; W756-I762 HydrophobicContact CD2-CG1 4.07Å; W756-I762 HydrophobicContact CE3-CB 3.99Å; W756-I762 HydrophobicContact CE3-CD1 4.24Å; W756-I762 HydrophobicContact CE3-CG1 3.51Å; W756-I762 HydrophobicContact CE3-CG2 3.65Å; W756-I762 HydrophobicContact CG-CG1 4.24Å; W756-I762 HydrophobicContact CZ3-CB 4.35Å; W756-I762 HydrophobicContact CZ3-CG1 4.31Å; W756-I762 HydrophobicContact CZ3-CG2 3.83Å; W756-I762 WeakPolarHBondContact O-CD1 3.31Å; W756-H765 AromaticContact CH2-ND1 3.91Å |
| 757 | L | 52.5 | Low | 61.4 | Low | 80 Ų | 80 | 30.5 Ų | 30.5 | 42% | 0.419 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -73.8 | -20.1 | 164.3 | -69.7 | 169.8 | 0 | 0 | 0 | 111.1 | L109 L753 S759 | L109-L757 WeakPolarHBondContact CD1-O 3.38Å; L109-L757 HydrophobicContact CD2-CB 3.7Å; L753-L757 WeakPolarHBondContact O-CG 2.99Å; L753-L757 PolarHBondContact O-N 2.76Å; L757-S759 PolarHBondContact O-N 2.96Å |
| 758 | N | 66.1 | Low | 63.7 | Low | 11 Ų | 11 | 26.1 Ų | 26.1 | 6% | 0.059 | 14% | 0.138 | C | C | . | . | trans | -93.1 | 99 | 178.8 | -171 | -18.1 | 0 | 0 | 0 | 111.5 | S760 L761 I762 | N758-S760 PolarHBondContact O-N 2.82Å; N758-S760 VanDerWaalsContact O-N 3.11Å; N758-S760 WeakPolarHBondContact OD1-CB 3.44Å; N758-S760 PolarHBondContact OD1-N 2.8Å; N758-L761 HydrophobicContact CB-CB 4.08Å; N758-L761 PolarHBondContact O-N 3.49Å; N758-I762 WeakPolarHBondContact O-CD1 3.46Å; N758-I762 VanDerWaalsContact O-CG1 3.28Å; N758-I762 WeakPolarHBondContact O-CG1 3.5Å; N758-I762 PolarHBondContact O-N 2.97Å | ||
| 759 | S | 73.5 | Confident | 66 | Low | 15 Ų | 15 | 21.3 Ų | 21.3 | 11% | 0.105 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -48.4 | -37.2 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 113.4 | L757 T763 G866 L867 D868 | L757-S759 PolarHBondContact O-N 2.96Å; S759-T763 VanDerWaalsContact O-CB 3.32Å; S759-T763 WeakPolarHBondContact O-CB 3.3Å; S759-T763 PolarHBondContact O-N 3.29Å; S759-T763 PolarHBondContact O-OG1 3.45Å; S759-G866 WeakPolarHBondContact CB-O 3.37Å; S759-G866 PolarHBondContact OG-O 3.46Å; S759-L867 WeakPolarHBondContact OG-CA 3.42Å; S759-D868 PolarHBondContact OG-N 3.04Å |
| 760 | S | 76.5 | Confident | 68.4 | Low | 8 Ų | 8 | 17.5 Ų | 17.5 | 6% | 0.056 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.4 | -43.8 | 179.7 | -47.9 | 0 | 0 | 0 | 0 | 111.9 | R111 N758 I762 T763 Q764 D868 | R111-S760 PolarHBondContact NH1-OG 3.05Å; N758-S760 PolarHBondContact O-N 2.82Å; N758-S760 VanDerWaalsContact O-N 3.11Å; N758-S760 WeakPolarHBondContact OD1-CB 3.44Å; N758-S760 PolarHBondContact OD1-N 2.8Å; S760-I762 VanDerWaalsContact C-N 3.35Å; S760-I762 PolarHBondContact O-N 3.43Å; S760-T763 WeakPolarHBondContact O-CB 2.98Å; S760-T763 PolarHBondContact O-N 2.93Å; S760-Q764 WeakPolarHBondContact O-CG 3.43Å; S760-Q764 PolarHBondContact O-N 3.47Å; S760-D868 WeakPolarHBondContact CB-OD2 3.38Å; S760-D868 PolarHBondContact OG-OD2 2.88Å |
| 761 | L | 78.2 | Confident | 71.1 | Confident | 8 Ų | 8 | 15.8 Ų | 15.8 | 4% | 0.042 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 177.8 | -179.6 | 61.2 | 0 | 0 | 0 | 111.4 | F725 G726 F727 A755 N758 T763 Q764 H765 | F725-L761 HydrophobicContact CB-CD2 4.14Å; G726-L761 VanDerWaalsContact O-CD1 3.3Å; G726-L761 WeakPolarHBondContact O-CD1 3.03Å; F727-L761 HydrophobicContact CB-CD1 4.34Å; F727-L761 HydrophobicContact CD2-CB 4.32Å; A755-L761 WeakPolarHBondContact O-CD2 3.34Å; N758-L761 HydrophobicContact CB-CB 4.08Å; N758-L761 PolarHBondContact O-N 3.49Å; L761-T763 VanDerWaalsContact C-N 3.31Å; L761-T763 PolarHBondContact O-N 3.32Å; L761-Q764 WeakPolarHBondContact O-CB 3.41Å; L761-Q764 PolarHBondContact O-N 2.95Å; L761-H765 VanDerWaalsContact CD1-NE2 3.29Å; L761-H765 WeakPolarHBondContact CD1-NE2 3.26Å; L761-H765 PolarHBondContact O-CD2 2.8Å; L761-H765 PolarHBondContact O-N 2.84Å |
| 762 | I | 78.8 | Confident | 73.6 | Confident | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 178.8 | -57.7 | 163.4 | 0 | 0 | 0 | 110.6 | W756 N758 S760 Q764 H765 L766 F864 L867 | W756-I762 HydrophobicContact CB-CD1 3.62Å; W756-I762 HydrophobicContact CB-CG1 3.79Å; W756-I762 HydrophobicContact CD2-CG1 4.07Å; W756-I762 HydrophobicContact CE3-CB 3.99Å; W756-I762 HydrophobicContact CE3-CD1 4.24Å; W756-I762 HydrophobicContact CE3-CG1 3.51Å; W756-I762 HydrophobicContact CE3-CG2 3.65Å; W756-I762 HydrophobicContact CG-CG1 4.24Å; W756-I762 HydrophobicContact CZ3-CB 4.35Å; W756-I762 HydrophobicContact CZ3-CG1 4.31Å; W756-I762 HydrophobicContact CZ3-CG2 3.83Å; W756-I762 WeakPolarHBondContact O-CD1 3.31Å; N758-I762 WeakPolarHBondContact O-CD1 3.46Å; N758-I762 VanDerWaalsContact O-CG1 3.28Å; N758-I762 WeakPolarHBondContact O-CG1 3.5Å; N758-I762 PolarHBondContact O-N 2.97Å; S760-I762 VanDerWaalsContact C-N 3.35Å; S760-I762 PolarHBondContact O-N 3.43Å; I762-Q764 VanDerWaalsContact C-N 3.31Å; I762-Q764 PolarHBondContact O-N 3.42Å; I762-H765 WeakPolarHBondContact O-CB 3.36Å; I762-H765 PolarHBondContact O-N 3.5Å; I762-L766 HydrophobicContact CG2-CD1 4.26Å; I762-L766 HydrophobicContact CG2-CG 4.5Å; I762-L766 WeakPolarHBondContact O-CG 3.41Å; I762-L766 PolarHBondContact O-N 3.04Å; I762-F864 HydrophobicContact CD1-CD2 4.35Å; I762-F864 HydrophobicContact CD1-CE2 3.57Å; I762-F864 HydrophobicContact CD1-CZ 4.49Å; I762-L867 HydrophobicContact CG2-CD2 3.76Å |
| 763 | T | 84.3 | Confident | 75.9 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 177.7 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | S759 S760 L761 L766 L767 D868 L871 L872 | S759-T763 VanDerWaalsContact O-CB 3.32Å; S759-T763 WeakPolarHBondContact O-CB 3.3Å; S759-T763 PolarHBondContact O-N 3.29Å; S759-T763 PolarHBondContact O-OG1 3.45Å; S760-T763 WeakPolarHBondContact O-CB 2.98Å; S760-T763 PolarHBondContact O-N 2.93Å; L761-T763 VanDerWaalsContact C-N 3.31Å; L761-T763 PolarHBondContact O-N 3.32Å; T763-L766 PolarHBondContact O-N 2.79Å; T763-L767 HydrophobicContact CG2-CD1 4.05Å; T763-L767 WeakPolarHBondContact O-CB 3.45Å; T763-L767 WeakPolarHBondContact O-CD1 3.38Å; T763-L767 WeakPolarHBondContact O-CG 3.45Å; T763-L767 PolarHBondContact O-N 3.28Å; T763-D868 HydrophobicContact CG2-CB 4.35Å; T763-D868 PolarHBondContact OG1-N 2.61Å; T763-L871 HydrophobicContact CG2-CB 4.4Å; T763-L871 HydrophobicContact CG2-CD2 3.87Å; T763-L871 HydrophobicContact CG2-CG 4.21Å; T763-L872 HydrophobicContact CG2-CD1 4.27Å; T763-L872 HydrophobicContact CG2-CD2 3.6Å; T763-L872 HydrophobicContact CG2-CG 3.56Å |
| 764 | Q | 86.7 | Confident | 78.3 | Confident | 22 Ų | 22 | 12.4 Ų | 12.4 | 10% | 0.103 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.2 | -41.7 | 175.6 | -67.3 | 176.3 | -7.4 | 0 | 0 | 112.4 | L18 L20 S760 L761 I762 L767 A768 L871 | L18-Q764 HydrophobicContact CD1-CB 3.8Å; L18-Q764 HydrophobicContact CD1-CG 3.7Å; L20-Q764 HydrophobicContact CD2-CB 3.64Å; S760-Q764 WeakPolarHBondContact O-CG 3.43Å; S760-Q764 PolarHBondContact O-N 3.47Å; L761-Q764 WeakPolarHBondContact O-CB 3.41Å; L761-Q764 PolarHBondContact O-N 2.95Å; I762-Q764 VanDerWaalsContact C-N 3.31Å; I762-Q764 PolarHBondContact O-N 3.42Å; Q764-L767 PolarHBondContact O-N 2.92Å; Q764-A768 WeakPolarHBondContact O-CB 3.29Å; Q764-A768 PolarHBondContact O-N 2.91Å; Q764-L871 HydrophobicContact CG-CD2 3.71Å |
| 765 | H | 87.2 | Confident | 80.5 | Confident | 6 Ų | 6 | 10.8 Ų | 10.8 | 3% | 0.028 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 176.3 | -76.8 | -151.6 | 0 | 0 | 0 | 111.4 | L20 L697 F725 W756 L761 I762 A768 I769 | L20-H765 VanDerWaalsContact CD2-CD2 3.48Å; L20-H765 WeakPolarHBondContact CD2-CD2 3.28Å; L697-H765 HydrophobicContact CD2-CB 4.15Å; F725-H765 AromaticContact CD1-CE1 3.33Å; F725-H765 WeakPolarHBondContact CD1-CE1 3.34Å; F725-H765 AromaticContact CD1-NE2 3.54Å; F725-H765 AromaticContact CD2-CE1 3.7Å; F725-H765 AromaticContact CE1-CE1 3.51Å; F725-H765 AromaticContact CE1-NE2 4Å; F725-H765 AromaticContact CE2-CE1 3.85Å; F725-H765 AromaticContact CG-CE1 3.43Å; F725-H765 VanDerWaalsContact CG-CE1 3.43Å; F725-H765 WeakPolarHBondContact CG-CE1 3.28Å; F725-H765 AromaticContact CG-NE2 3.82Å; F725-H765 AromaticContact CZ-CE1 3.76Å; W756-H765 AromaticContact CH2-ND1 3.91Å; L761-H765 VanDerWaalsContact CD1-NE2 3.29Å; L761-H765 WeakPolarHBondContact CD1-NE2 3.26Å; L761-H765 PolarHBondContact O-CD2 2.8Å; L761-H765 PolarHBondContact O-N 2.84Å; I762-H765 WeakPolarHBondContact O-CB 3.36Å; I762-H765 PolarHBondContact O-N 3.5Å; H765-A768 PolarHBondContact O-N 3.33Å; H765-I769 PolarHBondContact O-N 2.58Å; H765-I769 VanDerWaalsContact O-N 3.07Å |
| 766 | L | 88.9 | Confident | 82.5 | Confident | 4 Ų | 4 | 10.4 Ų | 10.4 | 2% | 0.021 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.9 | -42.6 | 179.1 | -68.1 | -178.3 | 0 | 0 | 0 | 111.3 | I762 T763 A768 I769 T770 H851 L867 L890 | I762-L766 HydrophobicContact CG2-CD1 4.26Å; I762-L766 HydrophobicContact CG2-CG 4.5Å; I762-L766 WeakPolarHBondContact O-CG 3.41Å; I762-L766 PolarHBondContact O-N 3.04Å; T763-L766 PolarHBondContact O-N 2.79Å; L766-A768 VanDerWaalsContact C-N 3.28Å; L766-A768 PolarHBondContact O-N 2.74Å; L766-I769 WeakPolarHBondContact O-CG2 3.44Å; L766-T770 WeakPolarHBondContact O-CB 3.49Å; L766-T770 WeakPolarHBondContact O-CG2 3.17Å; L766-T770 PolarHBondContact O-N 2.9Å; L766-T770 PolarHBondContact O-OG1 2.64Å; L766-H851 HydrophobicContact CD2-CB 4.06Å; L766-L867 HydrophobicContact CD1-CD1 4Å; L766-L867 HydrophobicContact CD1-CD2 3.65Å; L766-L867 HydrophobicContact CD1-CG 4.48Å; L766-L890 HydrophobicContact CB-CD1 3.76Å; L766-L890 HydrophobicContact CB-CD2 4.07Å; L766-L890 HydrophobicContact CD1-CD2 4.15Å |
| 767 | L | 90.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.7 | -42 | 173.4 | -78.4 | 167.8 | 0 | 0 | 0 | 111.7 | L18 T763 Q764 T770 S771 L872 R875 A886 A887 L890 | L18-L767 HydrophobicContact CD1-CD1 4.45Å; L18-L767 HydrophobicContact CD2-CB 3.83Å; T763-L767 HydrophobicContact CG2-CD1 4.05Å; T763-L767 WeakPolarHBondContact O-CB 3.45Å; T763-L767 WeakPolarHBondContact O-CD1 3.38Å; T763-L767 WeakPolarHBondContact O-CG 3.45Å; T763-L767 PolarHBondContact O-N 3.28Å; Q764-L767 PolarHBondContact O-N 2.92Å; L767-T770 PolarHBondContact O-OG1 2.88Å; L767-S771 WeakPolarHBondContact O-CB 3.38Å; L767-S771 PolarHBondContact O-N 3.01Å; L767-S771 PolarHBondContact O-OG 3.11Å; L767-L872 HydrophobicContact CD1-CD2 4.25Å; L767-L872 HydrophobicContact CD2-CD2 3.98Å; L767-L872 HydrophobicContact CG-CD2 4.13Å; L767-R875 HydrophobicContact CD1-CB 4.22Å; L767-R875 HydrophobicContact CD1-CG 3.77Å; L767-R875 HydrophobicContact CD2-CB 4.35Å; L767-A886 HydrophobicContact CD2-CB 4.15Å; L767-A887 HydrophobicContact CD2-CB 3.72Å; L767-L890 HydrophobicContact CD2-CD1 3.98Å; L767-L890 HydrophobicContact CG-CD1 4.03Å |
| 768 | A | 91.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -67 | -50.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L20 M639 L697 Q764 H765 L766 T770 S771 L772 | L20-A768 HydrophobicContact CD1-CB 3.29Å; L20-A768 HydrophobicContact CG-CB 4.29Å; M639-A768 VanDerWaalsContact CE-CA 3.45Å; M639-A768 HydrophobicContact CE-CB 3.62Å; M639-A768 WeakPolarHBondContact CE-O 3.46Å; M639-A768 HydrophobicContact CG-CB 4.04Å; M639-A768 HydrophobicContact SD-CB 3.54Å; M639-A768 VanDerWaalsContact SD-CB 3.54Å; L697-A768 HydrophobicContact CD1-CB 3.61Å; Q764-A768 WeakPolarHBondContact O-CB 3.29Å; Q764-A768 PolarHBondContact O-N 2.91Å; H765-A768 PolarHBondContact O-N 3.33Å; L766-A768 VanDerWaalsContact C-N 3.28Å; L766-A768 PolarHBondContact O-N 2.74Å; A768-T770 PolarHBondContact O-N 3.46Å; A768-S771 PolarHBondContact O-N 3.25Å; A768-S771 PolarHBondContact O-OG 3.47Å; A768-L772 WeakPolarHBondContact O-CB 3.28Å; A768-L772 PolarHBondContact O-N 2.88Å |
| 769 | I | 91.2 | Very high | 86.5 | Confident | 3 Ų | 3 | 8.9 Ų | 8.9 | 2% | 0.015 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.5 | -37.4 | -179.9 | -169.8 | 155.2 | 0 | 0 | 0 | 112.3 | L694 L697 Y698 H765 L766 S773 V847 H851 | L694-I769 HydrophobicContact CD2-CB 4.45Å; L694-I769 HydrophobicContact CD2-CD1 4.45Å; L694-I769 HydrophobicContact CD2-CG1 3.86Å; L697-I769 HydrophobicContact CB-CD1 4.39Å; Y698-I769 HydrophobicContact CD2-CD1 4.49Å; H765-I769 PolarHBondContact O-N 2.58Å; H765-I769 VanDerWaalsContact O-N 3.07Å; L766-I769 WeakPolarHBondContact O-CG2 3.44Å; I769-S773 VanDerWaalsContact O-CB 3.23Å; I769-S773 WeakPolarHBondContact O-CB 3.15Å; I769-S773 PolarHBondContact O-N 2.77Å; I769-S773 PolarHBondContact O-OG 2.78Å; I769-V847 HydrophobicContact CD1-CG1 4.38Å; I769-V847 HydrophobicContact CG1-CG1 4.38Å; I769-H851 VanDerWaalsContact CD1-CE1 3.41Å; I769-H851 WeakPolarHBondContact CD1-CE1 3.48Å; I769-H851 HydrophobicContact CG2-CB 3.9Å |
| 770 | T | 91.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -72.6 | -38.2 | 178.6 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | L766 L767 A768 S773 T774 R848 H851 E852 A886 | L766-T770 WeakPolarHBondContact O-CB 3.49Å; L766-T770 WeakPolarHBondContact O-CG2 3.17Å; L766-T770 PolarHBondContact O-N 2.9Å; L766-T770 PolarHBondContact O-OG1 2.64Å; L767-T770 PolarHBondContact O-OG1 2.88Å; A768-T770 PolarHBondContact O-N 3.46Å; T770-S773 WeakPolarHBondContact CA-OG 3.41Å; T770-S773 PolarHBondContact O-OG 2.75Å; T770-T774 WeakPolarHBondContact O-CB 3.3Å; T770-T774 PolarHBondContact O-N 3.36Å; T770-T774 PolarHBondContact O-OG1 2.87Å; T770-R848 HydrophobicContact CG2-CG 4.21Å; T770-H851 HydrophobicContact CG2-CB 4.3Å; T770-E852 HydrophobicContact CG2-CG 3.66Å; T770-A886 WeakPolarHBondContact OG1-CB 3.22Å |
| 771 | S | 92.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -70.4 | -43.7 | 175.8 | 59.7 | 0 | 0 | 0 | 0 | 112.5 | M639 L767 A768 T774 T775 | M639-S771 WeakPolarHBondContact CE-OG 3.31Å; L767-S771 WeakPolarHBondContact O-CB 3.38Å; L767-S771 PolarHBondContact O-N 3.01Å; L767-S771 PolarHBondContact O-OG 3.11Å; A768-S771 PolarHBondContact O-N 3.25Å; A768-S771 PolarHBondContact O-OG 3.47Å; S771-T774 PolarHBondContact O-N 3.06Å; S771-T775 PolarHBondContact O-N 3.03Å; S771-T775 PolarHBondContact O-OG1 2.88Å |
| 772 | L | 93.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.6 | -50.1 | 175.2 | -80.7 | 166.1 | 0 | 0 | 0 | 111.1 | M639 L642 I643 L646 L693 L694 A768 T774 T775 L776 | M639-L772 HydrophobicContact CE-CD1 3.5Å; M639-L772 HydrophobicContact CE-CD2 4.28Å; M639-L772 HydrophobicContact CE-CG 3.45Å; M639-L772 VanDerWaalsContact CE-CG 3.45Å; M639-L772 HydrophobicContact SD-CD1 4Å; L642-L772 HydrophobicContact CD2-CD1 4.19Å; L642-L772 HydrophobicContact CD2-CD2 3.99Å; L642-L772 HydrophobicContact CG-CD2 4.24Å; I643-L772 HydrophobicContact CG1-CD2 4.08Å; L646-L772 HydrophobicContact CD1-CD2 3.76Å; L693-L772 HydrophobicContact CD2-CD1 3.95Å; L693-L772 HydrophobicContact CG-CD1 4.41Å; L694-L772 HydrophobicContact CD1-CB 4.21Å; L694-L772 HydrophobicContact CD2-CB 3.87Å; L694-L772 HydrophobicContact CD2-CD1 4.16Å; L694-L772 HydrophobicContact CG-CB 4.24Å; L694-L772 HydrophobicContact CG-CD1 4.04Å; A768-L772 WeakPolarHBondContact O-CB 3.28Å; A768-L772 PolarHBondContact O-N 2.88Å; L772-T774 PolarHBondContact O-N 3.4Å; L772-T775 CarbonylContact O-C 3.59Å; L772-T775 WeakPolarHBondContact O-CA 3.5Å; L772-T775 VanDerWaalsContact O-CB 3.28Å; L772-T775 WeakPolarHBondContact O-CB 3.42Å; L772-T775 PolarHBondContact O-N 2.9Å; L772-L776 WeakPolarHBondContact O-CG 3.46Å; L772-L776 PolarHBondContact O-N 3.36Å |
| 773 | S | 91.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -55.9 | -39.2 | 176.7 | 56.4 | 0 | 0 | 0 | 0 | 112 | I769 T770 L776 M777 | I769-S773 VanDerWaalsContact O-CB 3.23Å; I769-S773 WeakPolarHBondContact O-CB 3.15Å; I769-S773 PolarHBondContact O-N 2.77Å; I769-S773 PolarHBondContact O-OG 2.78Å; T770-S773 WeakPolarHBondContact CA-OG 3.41Å; T770-S773 PolarHBondContact O-OG 2.75Å; S773-L776 PolarHBondContact O-N 3.05Å; S773-M777 WeakPolarHBondContact O-CB 3.49Å; S773-M777 VanDerWaalsContact O-CG 3.22Å; S773-M777 WeakPolarHBondContact O-CG 3.18Å; S773-M777 PolarHBondContact O-N 3.31Å |
| 774 | T | 89.5 | Confident | 85.7 | Confident | 14 Ų | 14 | 16.7 Ų | 16.7 | 9% | 0.086 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 173.6 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | T770 S771 L772 M777 S778 R848 Q882 | T770-T774 WeakPolarHBondContact O-CB 3.3Å; T770-T774 PolarHBondContact O-N 3.36Å; T770-T774 PolarHBondContact O-OG1 2.87Å; S771-T774 PolarHBondContact O-N 3.06Å; L772-T774 PolarHBondContact O-N 3.4Å; T774-M777 VanDerWaalsContact CA-CE 3.45Å; T774-M777 HydrophobicContact CG2-CE 4.5Å; T774-M777 PolarHBondContact O-N 3.38Å; T774-S778 PolarHBondContact O-N 3.45Å; T774-R848 PolarHBondContact OG1-NH1 2.74Å; T774-Q882 HydrophobicContact CG2-CG 4.32Å |
| 775 | T | 90.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.6 | -53.1 | 172.9 | -52.6 | 0 | 0 | 0 | 0 | 110.4 | I643 L646 L647 S771 L772 M777 S778 M779 Q882 | I643-T775 HydrophobicContact CG2-CG2 4.11Å; L646-T775 HydrophobicContact CB-CG2 4.46Å; L647-T775 HydrophobicContact CD2-CG2 3.93Å; L647-T775 HydrophobicContact CG-CG2 3.99Å; S771-T775 PolarHBondContact O-N 3.03Å; S771-T775 PolarHBondContact O-OG1 2.88Å; L772-T775 CarbonylContact O-C 3.59Å; L772-T775 WeakPolarHBondContact O-CA 3.5Å; L772-T775 VanDerWaalsContact O-CB 3.28Å; L772-T775 WeakPolarHBondContact O-CB 3.42Å; L772-T775 PolarHBondContact O-N 2.9Å; T775-M777 VanDerWaalsContact C-N 3.29Å; T775-M777 PolarHBondContact O-N 3.36Å; T775-S778 WeakPolarHBondContact O-CB 3.36Å; T775-S778 PolarHBondContact O-N 3.47Å; T775-S778 PolarHBondContact O-OG 2.89Å; T775-M779 HydrophobicContact CG2-SD 4.35Å; T775-M779 WeakPolarHBondContact O-CG 3.37Å; T775-M779 PolarHBondContact O-N 3.35Å; T775-Q882 WeakPolarHBondContact OG1-CG 3.33Å |
| 776 | L | 89.7 | Confident | 84.4 | Confident | 6 Ų | 6 | 21.8 Ų | 21.8 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.7 | -28.4 | -177.9 | -49.6 | -178.9 | 0 | 0 | 0 | 113.1 | L646 L694 L772 S773 S778 M779 M782 F784 W844 | L646-L776 HydrophobicContact CD1-CD2 4.14Å; L694-L776 HydrophobicContact CD1-CD1 3.48Å; L694-L776 VanDerWaalsContact CD1-CD1 3.48Å; L772-L776 WeakPolarHBondContact O-CG 3.46Å; L772-L776 PolarHBondContact O-N 3.36Å; S773-L776 PolarHBondContact O-N 3.05Å; L776-S778 VanDerWaalsContact C-N 3.31Å; L776-M779 HydrophobicContact CD2-SD 3.99Å; L776-M779 PolarHBondContact O-N 2.72Å; L776-M782 HydrophobicContact CB-CE 3.84Å; L776-M782 HydrophobicContact CD1-CE 4.13Å; L776-M782 HydrophobicContact CD2-CE 3.12Å; L776-M782 HydrophobicContact CD2-SD 3.54Å; L776-M782 VanDerWaalsContact CD2-SD 3.54Å; L776-M782 HydrophobicContact CG-CE 3.8Å; L776-F784 HydrophobicContact CD1-CE2 3.71Å; L776-F784 HydrophobicContact CD1-CZ 3.56Å; L776-F784 HydrophobicContact CD2-CZ 4.33Å; L776-W844 HydrophobicContact CB-CD2 4.27Å; L776-W844 HydrophobicContact CB-CG 4.44Å; L776-W844 HydrophobicContact CB-CZ2 4.45Å; L776-W844 HydrophobicContact CD1-CD2 4.23Å; L776-W844 HydrophobicContact CD1-CE3 4.39Å; L776-W844 HydrophobicContact CD1-CH2 3.53Å; L776-W844 HydrophobicContact CD1-CZ2 3.28Å; L776-W844 HydrophobicContact CD1-CZ3 4.07Å; L776-W844 HydrophobicContact CG-CZ2 4.48Å |
| 777 | M | 86.8 | Confident | 83.3 | Confident | 29 Ų | 29 | 27.2 Ų | 27.2 | 14% | 0.143 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.4 | -33.8 | 171.2 | -77.2 | -174.8 | -66.3 | 0 | 0 | 113.2 | S773 T774 T775 M779 K841 W844 R845 R848 | S773-M777 WeakPolarHBondContact O-CB 3.49Å; S773-M777 VanDerWaalsContact O-CG 3.22Å; S773-M777 WeakPolarHBondContact O-CG 3.18Å; S773-M777 PolarHBondContact O-N 3.31Å; T774-M777 VanDerWaalsContact CA-CE 3.45Å; T774-M777 HydrophobicContact CG2-CE 4.5Å; T774-M777 PolarHBondContact O-N 3.38Å; T775-M777 VanDerWaalsContact C-N 3.29Å; T775-M777 PolarHBondContact O-N 3.36Å; M777-M779 VanDerWaalsContact C-N 3.31Å; M777-K841 WeakPolarHBondContact O-CE 3.44Å; M777-W844 HydrophobicContact CG-CB 3.27Å; M777-W844 HydrophobicContact CG-CG 4.22Å; M777-W844 HydrophobicContact SD-CB 3.98Å; M777-R845 HydrophobicContact CE-CG 4.39Å; M777-R845 HydrophobicContact SD-CB 3.97Å; M777-R845 HydrophobicContact SD-CG 3.19Å; M777-R845 WeakPolarHBondContact SD-CG 3.48Å; M777-R845 PolarHBondContact SD-N 2.84Å; M777-R845 VanDerWaalsContact SD-N 3.35Å; M777-R848 HydrophobicContact CE-CB 4.37Å |
| 778 | S | 82.5 | Confident | 82.1 | Confident | 62 Ų | 62 | 28.6 Ų | 28.6 | 43% | 0.434 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -75.2 | -25.5 | 177.8 | 73.4 | 0 | 0 | 0 | 0 | 112.1 | T774 T775 L776 | T774-S778 PolarHBondContact O-N 3.45Å; T775-S778 WeakPolarHBondContact O-CB 3.36Å; T775-S778 PolarHBondContact O-N 3.47Å; T775-S778 PolarHBondContact O-OG 2.89Å; L776-S778 VanDerWaalsContact C-N 3.31Å |
| 779 | M | 79.8 | Confident | 80.9 | Confident | 9 Ų | 9 | 30.2 Ų | 30.2 | 4% | 0.044 | 16% | 0.163 | C | C | . | . | trans | -76.6 | 146.9 | -178.5 | -58.9 | 175.5 | 86.4 | 0 | 0 | 112.4 | L646 E650 T775 L776 M777 M782 | L646-M779 HydrophobicContact CB-CE 4.28Å; L646-M779 HydrophobicContact CB-SD 4.33Å; L646-M779 WeakPolarHBondContact O-CE 3.49Å; E650-M779 HydrophobicContact CB-CE 3.68Å; E650-M779 WeakPolarHBondContact OE1-CA 3.44Å; E650-M779 VanDerWaalsContact OE2-CG 3.3Å; E650-M779 WeakPolarHBondContact OE2-CG 3.27Å; T775-M779 HydrophobicContact CG2-SD 4.35Å; T775-M779 WeakPolarHBondContact O-CG 3.37Å; T775-M779 PolarHBondContact O-N 3.35Å; L776-M779 HydrophobicContact CD2-SD 3.99Å; L776-M779 PolarHBondContact O-N 2.72Å; M777-M779 VanDerWaalsContact C-N 3.31Å; M779-M782 HydrophobicContact CB-CB 4.3Å; M779-M782 HydrophobicContact CE-CB 3.77Å; M779-M782 HydrophobicContact CE-CG 4.06Å; M779-M782 HydrophobicContact CE-SD 3.71Å; M779-M782 HydrophobicContact SD-CB 4.23Å; M779-M782 HydrophobicContact SD-CE 3.94Å; M779-M782 HydrophobicContact SD-CG 4.45Å; M779-M782 HydrophobicContact SD-SD 3.52Å | ||
| 780 | T | 70.1 | Confident | 79.6 | Confident | 45 Ų | 45 | 33.1 Ų | 33.1 | 28% | 0.276 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -106.2 | -42.3 | -175 | -60.2 | 0 | 0 | 0 | 0 | 112.9 | E650 Q837 | E650-T780 PolarHBondContact OE1-N 3.01Å; T780-Q837 PolarHBondContact OG1-NE2 3.35Å |
| 781 | Y | 65.2 | Low | 78.2 | Confident | 95 Ų | 95 | 39.7 Ų | 39.7 | 37% | 0.373 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -102.7 | -15.4 | -170.1 | -58.9 | -71.3 | 0 | 0 | 0 | 114.2 | L654 | L654-Y781 HydrophobicContact CD2-CE2 4.43Š|
| 782 | M | 77.1 | Confident | 76.9 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 15% | 0.148 | 21% | 0.213 | C | C | . | . | trans | -77.2 | 136.8 | -173.7 | -172.7 | -146.3 | 60.8 | 0 | 0 | 111.7 | L646 V687 L776 M779 F784 R792 | L646-M782 HydrophobicContact CD2-SD 4.17Å; V687-M782 HydrophobicContact CG2-CG 4.14Å; V687-M782 HydrophobicContact CG2-SD 4.37Å; L776-M782 HydrophobicContact CB-CE 3.84Å; L776-M782 HydrophobicContact CD1-CE 4.13Å; L776-M782 HydrophobicContact CD2-CE 3.12Å; L776-M782 HydrophobicContact CD2-SD 3.54Å; L776-M782 VanDerWaalsContact CD2-SD 3.54Å; L776-M782 HydrophobicContact CG-CE 3.8Å; M779-M782 HydrophobicContact CB-CB 4.3Å; M779-M782 HydrophobicContact CE-CB 3.77Å; M779-M782 HydrophobicContact CE-CG 4.06Å; M779-M782 HydrophobicContact CE-SD 3.71Å; M779-M782 HydrophobicContact SD-CB 4.23Å; M779-M782 HydrophobicContact SD-CE 3.94Å; M779-M782 HydrophobicContact SD-CG 4.45Å; M779-M782 HydrophobicContact SD-SD 3.52Å; M782-F784 HydrophobicContact CE-CE1 4.49Å; M782-F784 HydrophobicContact SD-CE1 4.37Å; M782-R792 PolarHBondContact O-NH1 2.82Å | ||
| 783 | S | 77.1 | Confident | 75.5 | Confident | 13 Ų | 13 | 46 Ų | 46 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | trans | -145.1 | 145.1 | 170.4 | -177 | 0 | 0 | 0 | 0 | 109.1 | I785 T789 | S783-I785 PolarHBondContact OG-N 2.87Å; S783-I785 VanDerWaalsContact OG-N 3.14Å; S783-T789 PolarHBondContact O-OG1 3.14Å; S783-T789 VanDerWaalsContact O-OG1 3.13Å | ||
| 784 | F | 83.9 | Confident | 73.7 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 6% | 0.057 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -78.6 | -10 | 170.6 | -58.9 | -40.9 | 0 | 0 | 0 | 112.6 | V687 A690 Q691 L694 L714 L716 L776 M782 P786 W844 | V687-F784 HydrophobicContact CG1-CD1 3.57Å; V687-F784 HydrophobicContact CG1-CE1 3.82Å; V687-F784 WeakPolarHBondContact O-CE1 3.42Å; A690-F784 HydrophobicContact CB-CE1 4.11Å; A690-F784 HydrophobicContact CB-CZ 4.08Å; Q691-F784 HydrophobicContact CB-CB 4.38Å; Q691-F784 HydrophobicContact CB-CD1 3.71Å; Q691-F784 HydrophobicContact CB-CD2 4.16Å; Q691-F784 HydrophobicContact CB-CE1 3.93Å; Q691-F784 HydrophobicContact CB-CE2 4.36Å; Q691-F784 HydrophobicContact CB-CG 3.84Å; Q691-F784 HydrophobicContact CB-CZ 4.25Å; Q691-F784 HydrophobicContact CG-CB 3.97Å; Q691-F784 HydrophobicContact CG-CD1 4.23Å; Q691-F784 HydrophobicContact CG-CD2 4.07Å; Q691-F784 HydrophobicContact CG-CG 3.85Å; L694-F784 HydrophobicContact CD1-CE2 3.89Å; L694-F784 HydrophobicContact CD1-CZ 3.97Å; L714-F784 WeakPolarHBondContact O-CB 3.41Å; L714-F784 VanDerWaalsContact O-CD2 3.28Å; L714-F784 WeakPolarHBondContact O-CD2 3.47Å; L716-F784 HydrophobicContact CD2-CD2 4.13Å; L716-F784 HydrophobicContact CD2-CE2 4.1Å; L776-F784 HydrophobicContact CD1-CE2 3.71Å; L776-F784 HydrophobicContact CD1-CZ 3.56Å; L776-F784 HydrophobicContact CD2-CZ 4.33Å; M782-F784 HydrophobicContact CE-CE1 4.49Å; M782-F784 HydrophobicContact SD-CE1 4.37Å; F784-P786 WeakPolarHBondContact O-CD 3.36Å; F784-W844 HydrophobicContact CD2-CZ2 4.29Å; F784-W844 AromaticContact CE2-CH2 3.91Å; F784-W844 HydrophobicContact CE2-CH2 3.91Å; F784-W844 AromaticContact CE2-CZ2 3.81Å; F784-W844 HydrophobicContact CE2-CZ2 3.81Å |
| 785 | I | 79 | Confident | 71.9 | Confident | 38 Ų | 38 | 52 Ų | 52 | 20% | 0.195 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -94.3 | 111.1 | 177.9 | -57.5 | 174 | 0 | 0 | 0 | 108.4 | K712 S783 E787 L788 T789 | K712-I785 WeakPolarHBondContact O-CD1 3.42Å; S783-I785 PolarHBondContact OG-N 2.87Å; S783-I785 VanDerWaalsContact OG-N 3.14Å; I785-E787 VanDerWaalsContact C-N 3.27Å; I785-E787 PolarHBondContact O-N 2.98Å; I785-L788 HydrophobicContact CB-CB 4.38Å; I785-L788 HydrophobicContact CB-CD1 4.02Å; I785-L788 HydrophobicContact CB-CG 4.14Å; I785-L788 HydrophobicContact CD1-CD1 3.92Å; I785-L788 HydrophobicContact CG1-CD1 4.48Å; I785-L788 HydrophobicContact CG2-CD1 4.3Å; I785-L788 HydrophobicContact CG2-CG 4.04Å; I785-L788 PolarHBondContact O-N 3.3Å; I785-L788 VanDerWaalsContact O-N 3.14Å; I785-T789 PolarHBondContact O-N 3.29Å; I785-T789 PolarHBondContact O-OG1 2.74Å |
| 786 | P | 68.9 | Low | 70 | Confident | 97 Ų | 97 | 53.7 Ų | 53.7 | 63% | 0.63 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -58.3 | -35 | -172.4 | -26.7 | 35.1 | 0 | 0 | 0 | 114.5 | F784 T789 S790 | F784-P786 WeakPolarHBondContact O-CD 3.36Å; P786-T789 PolarHBondContact O-N 3.35Å; P786-S790 PolarHBondContact O-N 3.17Å; P786-S790 PolarHBondContact O-OG 3.1Å |
| 787 | E | 65.6 | Low | 68.1 | Low | 118 Ų | 118 | 56.9 Ų | 56.9 | 55% | 0.551 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.9 | -41.2 | 179.9 | -163.1 | -179.1 | 165.2 | 0 | 0 | 111.8 | I785 S790 R791 | I785-E787 VanDerWaalsContact C-N 3.27Å; I785-E787 PolarHBondContact O-N 2.98Å; E787-S790 PolarHBondContact O-N 3.48Å; E787-R791 WeakPolarHBondContact O-CG 3.12Å; E787-R791 PolarHBondContact O-N 3.34Å; E787-R791 IonicContact OE1-CZ 3.23Å; E787-R791 IonicContact OE1-NE 3.81Å; E787-R791 IonicContact OE1-NH2 3.81Å; E787-R791 PolarHBondContact OE1-NH2 3.1Å |
| 788 | L | 65.2 | Low | 66.1 | Low | 29 Ų | 29 | 58.3 Ų | 58.3 | 15% | 0.152 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 176 | -64.9 | -178.4 | 0 | 0 | 0 | 111.4 | I785 S790 R791 R792 E836 | I785-L788 HydrophobicContact CB-CB 4.38Å; I785-L788 HydrophobicContact CB-CD1 4.02Å; I785-L788 HydrophobicContact CB-CG 4.14Å; I785-L788 HydrophobicContact CD1-CD1 3.92Å; I785-L788 HydrophobicContact CG1-CD1 4.48Å; I785-L788 HydrophobicContact CG2-CD1 4.3Å; I785-L788 HydrophobicContact CG2-CG 4.04Å; I785-L788 PolarHBondContact O-N 3.3Å; I785-L788 VanDerWaalsContact O-N 3.14Å; L788-S790 VanDerWaalsContact C-N 3.31Å; L788-S790 PolarHBondContact O-N 3.16Å; L788-R791 PolarHBondContact O-N 2.92Å; L788-R792 VanDerWaalsContact O-CG 3.32Å; L788-R792 WeakPolarHBondContact O-CG 3Å; L788-R792 PolarHBondContact O-N 3.3Å; L788-E836 WeakPolarHBondContact CD2-OE1 3.1Å |
| 789 | T | 66.6 | Low | 64.3 | Low | 33 Ų | 33 | 62.9 Ų | 62.9 | 20% | 0.202 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 175.4 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | S783 I785 P786 R792 K793 | S783-T789 PolarHBondContact O-OG1 3.14Å; S783-T789 VanDerWaalsContact O-OG1 3.13Å; I785-T789 PolarHBondContact O-N 3.29Å; I785-T789 PolarHBondContact O-OG1 2.74Å; P786-T789 PolarHBondContact O-N 3.35Å; T789-R792 PolarHBondContact O-N 3.22Å; T789-K793 WeakPolarHBondContact O-CG 3.3Å; T789-K793 PolarHBondContact O-N 2.92Å; T789-K793 VanDerWaalsContact O-N 3.07Å |
| 790 | S | 64.3 | Low | 62.5 | Low | 65 Ų | 65 | 66.8 Ų | 66.8 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 177.7 | -58 | 0 | 0 | 0 | 0 | 112 | P786 E787 L788 R792 K793 L794 | P786-S790 PolarHBondContact O-N 3.17Å; P786-S790 PolarHBondContact O-OG 3.1Å; E787-S790 PolarHBondContact O-N 3.48Å; L788-S790 VanDerWaalsContact C-N 3.31Å; L788-S790 PolarHBondContact O-N 3.16Å; S790-R792 VanDerWaalsContact C-N 3.35Å; S790-R792 PolarHBondContact O-N 3.26Å; S790-K793 PolarHBondContact O-N 3.16Å; S790-L794 WeakPolarHBondContact O-CG 3.11Å; S790-L794 PolarHBondContact O-N 3.35Å |
| 791 | R | 61.9 | Low | 61.1 | Low | 138 Ų | 138 | 67.3 Ų | 67.3 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 176 | -71.3 | -179.3 | -167.6 | -171.1 | 4.5 | 112.3 | E787 L788 L795 | E787-R791 WeakPolarHBondContact O-CG 3.12Å; E787-R791 PolarHBondContact O-N 3.34Å; E787-R791 IonicContact OE1-CZ 3.23Å; E787-R791 IonicContact OE1-NE 3.81Å; E787-R791 IonicContact OE1-NH2 3.81Å; E787-R791 PolarHBondContact OE1-NH2 3.1Å; L788-R791 PolarHBondContact O-N 2.92Å; R791-L795 PolarHBondContact O-N 2.96Å |
| 792 | R | 66.2 | Low | 59.8 | Low | 25 Ų | 25 | 70.9 Ų | 70.9 | 9% | 0.094 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66 | -39 | 177.6 | -71.9 | 176.5 | -173.5 | 172.2 | 4.5 | 112.9 | M782 L788 T789 S790 L833 E836 | M782-R792 PolarHBondContact O-NH1 2.82Å; L788-R792 VanDerWaalsContact O-CG 3.32Å; L788-R792 WeakPolarHBondContact O-CG 3Å; L788-R792 PolarHBondContact O-N 3.3Å; T789-R792 PolarHBondContact O-N 3.22Å; S790-R792 VanDerWaalsContact C-N 3.35Å; S790-R792 PolarHBondContact O-N 3.26Å; R792-L833 HydrophobicContact CG-CD2 4.31Å; R792-E836 IonicContact NH2-OE1 3.78Å; R792-E836 PolarHBondContact NH2-OE1 3.21Å |
| 793 | K | 62.5 | Low | 58 | Low | 106 Ų | 106 | 76.9 Ų | 76.9 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.2 | -46.6 | 175.9 | -74.3 | -179 | 179.6 | -177.1 | 0 | 112.2 | T789 S790 L795 K796 S797 | T789-K793 WeakPolarHBondContact O-CG 3.3Å; T789-K793 PolarHBondContact O-N 2.92Å; T789-K793 VanDerWaalsContact O-N 3.07Å; S790-K793 PolarHBondContact O-N 3.16Å; K793-L795 VanDerWaalsContact C-N 3.33Å; K793-L795 PolarHBondContact O-N 3.38Å; K793-K796 PolarHBondContact O-N 3.01Å; K793-S797 PolarHBondContact O-N 3.34Å |
| 794 | L | 55.5 | Low | 55.8 | Low | 119 Ų | 119 | 84.2 Ų | 84.2 | 62% | 0.623 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -57.5 | -43 | 180 | -81.5 | 159.3 | 0 | 0 | 0 | 112.3 | S790 K796 S797 S798 | S790-L794 WeakPolarHBondContact O-CG 3.11Å; S790-L794 PolarHBondContact O-N 3.35Å; L794-K796 PolarHBondContact O-N 3.28Å; L794-S797 PolarHBondContact O-N 3.27Å; L794-S797 PolarHBondContact O-OG 3.36Å; L794-S798 PolarHBondContact O-N 3.42Å |
| 795 | L | 51.3 | Low | 53.4 | Low | 22 Ų | 22 | 86.9 Ų | 86.9 | 12% | 0.115 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -69.1 | -35.6 | -178.1 | -150.9 | 105.9 | 0 | 0 | 0 | 113.3 | R791 K793 S797 S798 W799 L829 M830 L833 | R791-L795 PolarHBondContact O-N 2.96Å; K793-L795 VanDerWaalsContact C-N 3.33Å; K793-L795 PolarHBondContact O-N 3.38Å; L795-S797 VanDerWaalsContact C-N 3.31Å; L795-S797 PolarHBondContact O-N 3.5Å; L795-S798 WeakPolarHBondContact O-CB 3.09Å; L795-S798 PolarHBondContact O-N 2.95Å; L795-W799 PolarHBondContact O-N 2.7Å; L795-L829 HydrophobicContact CD1-CB 4.4Å; L795-L829 HydrophobicContact CD1-CD2 3.18Å; L795-L829 HydrophobicContact CD1-CG 3.55Å; L795-M830 HydrophobicContact CD2-CE 3.68Å; L795-M830 HydrophobicContact CD2-SD 4.21Å; L795-L833 HydrophobicContact CB-CD1 4.3Å; L795-L833 HydrophobicContact CD1-CD1 4.02Å; L795-L833 HydrophobicContact CD2-CD1 3.66Å; L795-L833 HydrophobicContact CG-CD1 4.2Å |
| 796 | K | 51.4 | Low | 51.4 | Low | 35 Ų | 35 | 89 Ų | 89 | 15% | 0.152 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 176.4 | -168 | -174.9 | 173.4 | -143.5 | 0 | 111 | E657 K793 L794 S798 W799 E800 | E657-K796 IonicContact OE2-NZ 2.84Å; E657-K796 PolarHBondContact OE2-NZ 2.92Å; K793-K796 PolarHBondContact O-N 3.01Å; L794-K796 PolarHBondContact O-N 3.28Å; K796-S798 PolarHBondContact O-N 3.2Å; K796-W799 PolarHBondContact O-N 3.4Å; K796-E800 PolarHBondContact O-N 3.08Å |
| 797 | S | 50.3 | Low | 50 | Low | 74 Ų | 74 | 90.7 Ų | 90.7 | 52% | 0.517 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.1 | -34.6 | 175.7 | 74.7 | 0 | 0 | 0 | 0 | 113.4 | K793 L794 L795 W799 E800 G801 | K793-S797 PolarHBondContact O-N 3.34Å; L794-S797 PolarHBondContact O-N 3.27Å; L794-S797 PolarHBondContact O-OG 3.36Å; L795-S797 VanDerWaalsContact C-N 3.31Å; L795-S797 PolarHBondContact O-N 3.5Å; S797-W799 VanDerWaalsContact C-N 3.34Å; S797-W799 PolarHBondContact O-N 3.42Å; S797-E800 PolarHBondContact O-N 2.91Å; S797-G801 PolarHBondContact O-N 3.4Å |
| 798 | S | 44.1 | Very low | 48.8 | Very low | 58 Ų | 58 | 88.7 Ų | 88.7 | 41% | 0.406 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 178.7 | -175.4 | 0 | 0 | 0 | 0 | 112.5 | L794 L795 K796 | L794-S798 PolarHBondContact O-N 3.42Å; L795-S798 WeakPolarHBondContact O-CB 3.09Å; L795-S798 PolarHBondContact O-N 2.95Å; K796-S798 PolarHBondContact O-N 3.2Å |
| 799 | W | 44.3 | Very low | 47.4 | Very low | 159 Ų | 159 | 92.9 Ų | 92.9 | 60% | 0.602 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -77.7 | -33.3 | 177.8 | -87.7 | 60.4 | 0 | 0 | 0 | 113.8 | L795 K796 S797 G801 M830 | L795-W799 PolarHBondContact O-N 2.7Å; K796-W799 PolarHBondContact O-N 3.4Å; S797-W799 VanDerWaalsContact C-N 3.34Å; S797-W799 PolarHBondContact O-N 3.42Å; W799-G801 VanDerWaalsContact C-N 3.3Å; W799-G801 PolarHBondContact O-N 3.39Å; W799-M830 HydrophobicContact CD2-CE 4.17Å; W799-M830 HydrophobicContact CH2-CE 4.33Å; W799-M830 HydrophobicContact CZ2-CE 3.61Å |
| 800 | E | 42.2 | Very low | 46 | Very low | 90 Ų | 90 | 96.2 Ų | 96.2 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -84.1 | -4.3 | -178.4 | -74.6 | -161.6 | -157 | 0 | 0 | 114.1 | K661 K796 S797 | K661-E800 IonicContact NZ-OE2 3.61Å; K661-E800 PolarHBondContact NZ-OE2 2.67Å; K796-E800 PolarHBondContact O-N 3.08Å; S797-E800 PolarHBondContact O-N 2.91Å |
| 801 | G | 40.6 | Very low | 44.7 | Very low | 57 Ų | 57 | 101.2 Ų | 101.2 | 59% | 0.588 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -5.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | S797 W799 D803 | S797-G801 PolarHBondContact O-N 3.4Å; W799-G801 VanDerWaalsContact C-N 3.3Å; W799-G801 PolarHBondContact O-N 3.39Å; G801-D803 PolarHBondContact O-N 3.49Å |
| 802 | E | 38.2 | Very low | 43.5 | Very low | 170 Ų | 170 | 102 Ų | 102 | 79% | 0.794 | 54% | 0.54 | S | S | * | . | trans | -84.6 | 101.2 | 173.4 | -73.4 | -154.1 | 165 | 0 | 0 | 111.1 | M804 | E802-M804 PolarHBondContact O-N 3.45Š| ||
| 803 | D | 38.6 | Very low | 42 | Very low | 155 Ų | 155 | 110.2 Ų | 110.2 | 83% | 0.829 | 57% | 0.572 | S | S | * | * | trans | -52.8 | 105.8 | 163.4 | -78.5 | -39.3 | 0 | 0 | 0 | 109.4 | G801 P805 | G801-D803 PolarHBondContact O-N 3.49Å; D803-P805 WeakPolarHBondContact O-CD 3.37Å | ||
| 804 | M | 31.8 | Very low | 40.7 | Very low | 167 Ų | 167 | 116.4 Ų | 116.4 | 82% | 0.823 | 59% | 0.593 | S | S | * | * | trans | -56.1 | 109.3 | 169.4 | -79.8 | -79.5 | -78.6 | 0 | 0 | 108.7 | E802 S806 | E802-M804 PolarHBondContact O-N 3.45Å; M804-S806 PolarHBondContact O-N 3.35Å | ||
| 805 | P | 33.2 | Very low | 40 | Very low | 70 Ų | 70 | 115.2 Ų | 115.2 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | trans | -66.8 | 129.4 | -178 | -15.1 | 29.5 | 0 | 0 | 0 | 108.4 | D803 | D803-P805 WeakPolarHBondContact O-CD 3.37Š| ||
| 806 | S | 37.3 | Very low | 39.3 | Very low | 83 Ų | 83 | 121.4 Ų | 121.4 | 58% | 0.58 | 63% | 0.628 | S | S | * | * | trans | -47.3 | 141.4 | 177.8 | 65.7 | 0 | 0 | 0 | 0 | 111.8 | M804 A808 Q809 | M804-S806 PolarHBondContact O-N 3.35Å; S806-A808 PolarHBondContact O-N 2.84Å; S806-Q809 PolarHBondContact O-N 2.97Å | ||
| 807 | N | 39.3 | Very low | 38.5 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -50.1 | -16.2 | -174.6 | -90.6 | -19.2 | 0 | 0 | 0 | 115.4 | Q809 | N807-Q809 VanDerWaalsContact C-N 3.35Å |
| 808 | A | 39.7 | Very low | 37.7 | Very low | 77 Ų | 77 | 132 Ų | 132 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -67.1 | -31 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S806 | S806-A808 PolarHBondContact O-N 2.84Å |
| 809 | Q | 36.1 | Very low | 37.3 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 55% | 0.547 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -90.8 | -21.6 | -178 | -75.7 | 179.5 | -11 | 0 | 0 | 113.7 | S806 N807 Q811 Q812 | S806-Q809 PolarHBondContact O-N 2.97Å; N807-Q809 VanDerWaalsContact C-N 3.35Å; Q809-Q811 PolarHBondContact O-N 2.62Å; Q809-Q812 PolarHBondContact O-N 2.88Å |
| 810 | Q | 36.8 | Very low | 36.8 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 48% | 0.477 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -67 | -24.8 | 176.8 | -72.6 | -171.4 | 11 | 0 | 0 | 113.2 | ||
| 811 | Q | 37.3 | Very low | 36.5 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -20.5 | 178.6 | -75.4 | -173.5 | -7.7 | 0 | 0 | 113.7 | Q809 | Q809-Q811 PolarHBondContact O-N 2.62Š|
| 812 | Q | 36.3 | Very low | 36.5 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -24.7 | 177.6 | -86.1 | -177.4 | -24.8 | 0 | 0 | 114 | Q809 R814 S815 | Q809-Q812 PolarHBondContact O-N 2.88Å; Q812-R814 VanDerWaalsContact C-N 3.31Å; Q812-R814 PolarHBondContact O-N 2.88Å; Q812-S815 PolarHBondContact O-OG 2.57Å |
| 813 | Y | 34.5 | Very low | 36.7 | Very low | 197 Ų | 197 | 141 Ų | 141 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -80.9 | -3.3 | -179 | -85.4 | -82.1 | 0 | 0 | 0 | 115.3 | S815 | Y813-S815 PolarHBondContact O-N 3.48Š|
| 814 | R | 36 | Very low | 37.2 | Very low | 236 Ų | 236 | 139.2 Ų | 139.2 | 89% | 0.891 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -75.3 | 0.7 | 177.2 | -85.9 | -170.3 | 176.5 | -176 | 0.1 | 115.3 | Q812 | Q812-R814 VanDerWaalsContact C-N 3.31Å; Q812-R814 PolarHBondContact O-N 2.88Å |
| 815 | S | 40.4 | Very low | 38.3 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -109.9 | -8.9 | -173.9 | 59.7 | 0 | 0 | 0 | 0 | 116.5 | Q812 Y813 | Q812-S815 PolarHBondContact O-OG 2.57Å; Y813-S815 PolarHBondContact O-N 3.48Å |
| 816 | N | 36.6 | Very low | 39.3 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | trans | -116.5 | 104.1 | 176.9 | -82.5 | -11.8 | 0 | 0 | 0 | 112.2 | Q818 | N816-Q818 PolarHBondContact O-N 2.79Š| ||
| 817 | N | 34.7 | Very low | 40.5 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 83% | 0.834 | 71% | 0.707 | S | S | * | * | trans | -46.2 | 125.3 | 162.9 | -73.8 | -34.3 | 0 | 0 | 0 | 111.6 | ||||
| 818 | Q | 34.9 | Very low | 41.9 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 82% | 0.822 | 70% | 0.698 | S | S | * | * | -175.5 | 116.6 | 124.2 | -97.1 | 164.3 | 26.7 | 0 | 0 | 107.7 | N816 E820 | N816-Q818 PolarHBondContact O-N 2.79Å; Q818-E820 VanDerWaalsContact C-N 3.34Å; Q818-E820 PolarHBondContact O-N 3.18Å | |||
| 819 | A | 33.7 | Very low | 43.1 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 87% | 0.868 | 69% | 0.686 | S | S | * | * | trans | -71.3 | 87.3 | 179 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 820 | E | 35.2 | Very low | 44.4 | Very low | 166 Ų | 166 | 129 Ų | 129 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | trans | -91.4 | 110.8 | 164.3 | -79.6 | -172.3 | 157.8 | 0 | 0 | 109.6 | Q818 V822 | Q818-E820 VanDerWaalsContact C-N 3.34Å; Q818-E820 PolarHBondContact O-N 3.18Å; E820-V822 VanDerWaalsContact C-N 3.33Å; E820-V822 PolarHBondContact O-N 3.49Å | ||
| 821 | T | 36.2 | Very low | 46.1 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | trans | -65.5 | 72.1 | 179.9 | 36.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 822 | V | 40 | Very low | 47.8 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | trans | -110.6 | 5 | 175.5 | -172.4 | 0 | 0 | 0 | 0 | 113.1 | E820 | E820-V822 VanDerWaalsContact C-N 3.33Å; E820-V822 PolarHBondContact O-N 3.49Å | ||
| 823 | K | 42.4 | Very low | 49.4 | Very low | 194 Ų | 194 | 122.3 Ų | 122.3 | 84% | 0.843 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -90.8 | -7.6 | -175.6 | -78 | -167.3 | 173 | -172.3 | 0 | 117.4 | ||
| 824 | D | 49.5 | Very low | 51.3 | Low | 118 Ų | 118 | 117.6 Ų | 117.6 | 63% | 0.631 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -86.7 | -22.7 | -171.9 | -71.9 | -24 | 0 | 0 | 0 | 115.2 | N826 S827 D828 | D824-N826 PolarHBondContact O-N 3.03Å; D824-S827 PolarHBondContact O-N 3.15Å; D824-D828 PolarHBondContact O-N 3.35Å |
| 825 | G | 53.6 | Low | 53.5 | Low | 54 Ų | 54 | 109.9 Ų | 109.9 | 56% | 0.557 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.4 | -36.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 826 | N | 55 | Low | 55.3 | Low | 80 Ų | 80 | 107.6 Ų | 107.6 | 43% | 0.428 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -75.8 | -27.6 | -178 | -89.9 | -3.7 | 0 | 0 | 0 | 113.2 | D824 M830 | D824-N826 PolarHBondContact O-N 3.03Å; N826-M830 PolarHBondContact O-N 3.31Å |
| 827 | S | 62.8 | Low | 57.3 | Low | 71 Ų | 71 | 102 Ų | 102 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.8 | -45.4 | 179.4 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | D824 L829 M830 Q831 | D824-S827 PolarHBondContact O-N 3.15Å; S827-L829 PolarHBondContact O-N 3.09Å; S827-M830 PolarHBondContact O-N 2.92Å; S827-Q831 PolarHBondContact O-N 3.21Å; S827-Q831 VanDerWaalsContact O-N 3.09Å |
| 828 | D | 68.4 | Low | 59.6 | Low | 96 Ų | 96 | 96.8 Ų | 96.8 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 180 | -79.9 | -5.9 | 0 | 0 | 0 | 112.1 | D824 M830 Q831 Q832 | D824-D828 PolarHBondContact O-N 3.35Å; D828-M830 VanDerWaalsContact C-N 3.32Å; D828-M830 PolarHBondContact O-N 2.8Å; D828-Q831 PolarHBondContact O-N 3.23Å; D828-Q832 WeakPolarHBondContact O-CG 3.05Å; D828-Q832 PolarHBondContact O-N 3.32Å |
| 829 | L | 65.7 | Low | 62.1 | Low | 73 Ų | 73 | 92.2 Ų | 92.2 | 38% | 0.382 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -34.6 | 178.8 | -173.2 | 57.2 | 0 | 0 | 0 | 112.4 | L795 S827 L833 | L795-L829 HydrophobicContact CD1-CB 4.4Å; L795-L829 HydrophobicContact CD1-CD2 3.18Å; L795-L829 HydrophobicContact CD1-CG 3.55Å; S827-L829 PolarHBondContact O-N 3.09Å; L829-L833 WeakPolarHBondContact O-CG 3.27Å; L829-L833 PolarHBondContact O-N 3.09Å |
| 830 | M | 63.3 | Low | 64.6 | Low | 55 Ų | 55 | 88.1 Ų | 88.1 | 27% | 0.271 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 174.6 | -176 | 65.4 | 75.2 | 0 | 0 | 111.6 | L795 W799 N826 S827 D828 Q832 L833 L834 | L795-M830 HydrophobicContact CD2-CE 3.68Å; L795-M830 HydrophobicContact CD2-SD 4.21Å; W799-M830 HydrophobicContact CD2-CE 4.17Å; W799-M830 HydrophobicContact CH2-CE 4.33Å; W799-M830 HydrophobicContact CZ2-CE 3.61Å; N826-M830 PolarHBondContact O-N 3.31Å; S827-M830 PolarHBondContact O-N 2.92Å; D828-M830 VanDerWaalsContact C-N 3.32Å; D828-M830 PolarHBondContact O-N 2.8Å; M830-Q832 VanDerWaalsContact C-N 3.31Å; M830-Q832 PolarHBondContact O-N 2.93Å; M830-L833 PolarHBondContact O-N 2.84Å; M830-L834 HydrophobicContact CG-CD1 4.07Å; M830-L834 PolarHBondContact O-N 3.14Å |
| 831 | Q | 71.8 | Confident | 67.1 | Low | 133 Ų | 133 | 82.9 Ų | 82.9 | 62% | 0.621 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.8 | -38.6 | 178.5 | -156.7 | 168.5 | 8.2 | 0 | 0 | 110.9 | S827 D828 S835 | S827-Q831 PolarHBondContact O-N 3.21Å; S827-Q831 VanDerWaalsContact O-N 3.09Å; D828-Q831 PolarHBondContact O-N 3.23Å; Q831-S835 WeakPolarHBondContact O-CB 2.86Å; Q831-S835 PolarHBondContact O-N 2.96Å; Q831-S835 PolarHBondContact O-OG 2.88Å |
| 832 | Q | 72.9 | Confident | 69.7 | Low | 123 Ų | 123 | 80.3 Ų | 80.3 | 58% | 0.575 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.2 | -47.1 | 170.6 | -71.8 | 177.1 | 3.4 | 0 | 0 | 112 | D828 M830 S835 E836 | D828-Q832 WeakPolarHBondContact O-CG 3.05Å; D828-Q832 PolarHBondContact O-N 3.32Å; M830-Q832 VanDerWaalsContact C-N 3.31Å; M830-Q832 PolarHBondContact O-N 2.93Å; Q832-S835 PolarHBondContact O-N 3.17Å; Q832-S835 PolarHBondContact O-OG 3.3Å; Q832-E836 WeakPolarHBondContact O-CB 3.25Å; Q832-E836 PolarHBondContact O-N 3.48Å |
| 833 | L | 69.2 | Low | 72.2 | Confident | 32 Ų | 32 | 74.5 Ų | 74.5 | 17% | 0.168 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 179.3 | -75.5 | 165.3 | 0 | 0 | 0 | 113.7 | R792 L795 L829 M830 S835 E836 Q837 | R792-L833 HydrophobicContact CG-CD2 4.31Å; L795-L833 HydrophobicContact CB-CD1 4.3Å; L795-L833 HydrophobicContact CD1-CD1 4.02Å; L795-L833 HydrophobicContact CD2-CD1 3.66Å; L795-L833 HydrophobicContact CG-CD1 4.2Å; L829-L833 WeakPolarHBondContact O-CG 3.27Å; L829-L833 PolarHBondContact O-N 3.09Å; M830-L833 PolarHBondContact O-N 2.84Å; L833-S835 VanDerWaalsContact C-N 3.3Å; L833-S835 PolarHBondContact O-N 3.05Å; L833-E836 PolarHBondContact O-N 3.4Å; L833-Q837 VanDerWaalsContact O-CB 3.29Å; L833-Q837 WeakPolarHBondContact O-CB 3.35Å; L833-Q837 PolarHBondContact O-N 2.99Å |
| 834 | L | 75.7 | Confident | 74.6 | Confident | 98 Ų | 98 | 65.7 Ų | 65.7 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 175.3 | -80.4 | 162.9 | 0 | 0 | 0 | 111.3 | M830 A838 | M830-L834 HydrophobicContact CG-CD1 4.07Å; M830-L834 PolarHBondContact O-N 3.14Å; L834-A838 WeakPolarHBondContact O-CB 3.37Å; L834-A838 PolarHBondContact O-N 2.78Å |
| 835 | S | 81 | Confident | 76.6 | Confident | 74 Ų | 74 | 66.7 Ų | 66.7 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 174.9 | 67.3 | 0 | 0 | 0 | 0 | 112.8 | Q831 Q832 L833 Q837 A838 E839 | Q831-S835 WeakPolarHBondContact O-CB 2.86Å; Q831-S835 PolarHBondContact O-N 2.96Å; Q831-S835 PolarHBondContact O-OG 2.88Å; Q832-S835 PolarHBondContact O-N 3.17Å; Q832-S835 PolarHBondContact O-OG 3.3Å; L833-S835 VanDerWaalsContact C-N 3.3Å; L833-S835 PolarHBondContact O-N 3.05Å; S835-Q837 VanDerWaalsContact C-N 3.34Å; S835-Q837 PolarHBondContact O-N 2.86Å; S835-A838 PolarHBondContact O-N 2.9Å; S835-E839 PolarHBondContact O-N 2.81Å |
| 836 | E | 78.3 | Confident | 78.4 | Confident | 47 Ų | 47 | 69.3 Ų | 69.3 | 22% | 0.22 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 174.5 | -167.6 | -161.1 | 132.6 | 0 | 0 | 111.3 | L788 R792 Q832 L833 E839 I840 | L788-E836 WeakPolarHBondContact CD2-OE1 3.1Å; R792-E836 IonicContact NH2-OE1 3.78Å; R792-E836 PolarHBondContact NH2-OE1 3.21Å; Q832-E836 WeakPolarHBondContact O-CB 3.25Å; Q832-E836 PolarHBondContact O-N 3.48Å; L833-E836 PolarHBondContact O-N 3.4Å; E836-E839 WeakPolarHBondContact O-CB 3.5Å; E836-E839 PolarHBondContact O-N 3.07Å; E836-I840 HydrophobicContact CG-CD1 4.25Å; E836-I840 WeakPolarHBondContact O-CG1 3.46Å; E836-I840 PolarHBondContact O-N 3.49Å |
| 837 | Q | 78.8 | Confident | 80 | Confident | 35 Ų | 35 | 65.5 Ų | 65.5 | 16% | 0.164 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 175.9 | -170.9 | -169 | 4 | 0 | 0 | 111.5 | T780 L833 S835 E839 I840 K841 | T780-Q837 PolarHBondContact OG1-NE2 3.35Å; L833-Q837 VanDerWaalsContact O-CB 3.29Å; L833-Q837 WeakPolarHBondContact O-CB 3.35Å; L833-Q837 PolarHBondContact O-N 2.99Å; S835-Q837 VanDerWaalsContact C-N 3.34Å; S835-Q837 PolarHBondContact O-N 2.86Å; Q837-E839 VanDerWaalsContact C-N 3.27Å; Q837-E839 PolarHBondContact O-N 2.73Å; Q837-I840 PolarHBondContact O-N 2.86Å; Q837-K841 HydrophobicContact CG-CD 4.44Å; Q837-K841 VanDerWaalsContact NE2-CE 3.32Å; Q837-K841 VanDerWaalsContact NE2-NZ 3.14Å; Q837-K841 WeakPolarHBondContact O-CB 3.2Å; Q837-K841 WeakPolarHBondContact O-CG 3.36Å; Q837-K841 PolarHBondContact O-N 3.34Å |
| 838 | A | 83.8 | Confident | 81.2 | Confident | 46 Ų | 46 | 64.3 Ų | 64.3 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L834 S835 N842 | L834-A838 WeakPolarHBondContact O-CB 3.37Å; L834-A838 PolarHBondContact O-N 2.78Å; S835-A838 PolarHBondContact O-N 2.9Å; A838-N842 WeakPolarHBondContact O-CB 3.3Å; A838-N842 PolarHBondContact O-N 2.91Å; A838-N842 PolarHBondContact O-ND2 2.67Å |
| 839 | E | 86.7 | Confident | 82.1 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 37% | 0.369 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.1 | -48.6 | 175.1 | -175.5 | 171.7 | -148.7 | 0 | 0 | 112.1 | K713 S835 E836 Q837 K841 N842 L843 | K713-E839 IonicContact NZ-OE1 3.87Å; K713-E839 PolarHBondContact NZ-OE1 2.94Å; K713-E839 IonicContact NZ-OE2 2.78Å; K713-E839 PolarHBondContact NZ-OE2 2.92Å; S835-E839 PolarHBondContact O-N 2.81Å; E836-E839 WeakPolarHBondContact O-CB 3.5Å; E836-E839 PolarHBondContact O-N 3.07Å; Q837-E839 VanDerWaalsContact C-N 3.27Å; Q837-E839 PolarHBondContact O-N 2.73Å; E839-K841 VanDerWaalsContact C-N 3.34Å; E839-K841 PolarHBondContact O-N 3.16Å; E839-N842 CarbonylContact O-C 3.52Å; E839-N842 WeakPolarHBondContact O-CA 3.1Å; E839-N842 WeakPolarHBondContact O-CB 3.45Å; E839-N842 PolarHBondContact O-N 2.87Å; E839-N842 VanDerWaalsContact O-N 3.08Å; E839-L843 HydrophobicContact CG-CD1 4.45Å; E839-L843 WeakPolarHBondContact O-CG 3.08Å; E839-L843 PolarHBondContact O-N 3.06Å |
| 840 | I | 86.1 | Confident | 82.9 | Confident | 20 Ų | 20 | 61 Ų | 61 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 178.3 | -72 | 164.1 | 0 | 0 | 0 | 111.2 | L714 E836 Q837 N842 L843 W844 | L714-I840 HydrophobicContact CD2-CG2 4.1Å; E836-I840 HydrophobicContact CG-CD1 4.25Å; E836-I840 WeakPolarHBondContact O-CG1 3.46Å; E836-I840 PolarHBondContact O-N 3.49Å; Q837-I840 PolarHBondContact O-N 2.86Å; I840-N842 VanDerWaalsContact C-N 3.28Å; I840-N842 PolarHBondContact O-N 3.24Å; I840-L843 PolarHBondContact O-N 3Å; I840-W844 PolarHBondContact O-N 3.29Å |
| 841 | K | 88.9 | Confident | 83.8 | Confident | 56 Ų | 56 | 58.8 Ų | 58.8 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.2 | -34.5 | 174.2 | -73.6 | -177.9 | 177.5 | -176.3 | 0 | 112.2 | M777 Q837 E839 R845 | M777-K841 WeakPolarHBondContact O-CE 3.44Å; Q837-K841 HydrophobicContact CG-CD 4.44Å; Q837-K841 VanDerWaalsContact NE2-CE 3.32Å; Q837-K841 VanDerWaalsContact NE2-NZ 3.14Å; Q837-K841 WeakPolarHBondContact O-CB 3.2Å; Q837-K841 WeakPolarHBondContact O-CG 3.36Å; Q837-K841 PolarHBondContact O-N 3.34Å; E839-K841 VanDerWaalsContact C-N 3.34Å; E839-K841 PolarHBondContact O-N 3.16Å; K841-R845 WeakPolarHBondContact O-CG 3.29Å; K841-R845 PolarHBondContact O-N 3.44Å; K841-R845 PolarHBondContact O-NE 2.69Å |
| 842 | N | 90.6 | Very high | 84.2 | Confident | 74 Ų | 74 | 54.2 Ų | 54.2 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.1 | -38.8 | 173.2 | -75.5 | -25.1 | 0 | 0 | 0 | 111.6 | A838 E839 I840 R845 R846 | A838-N842 WeakPolarHBondContact O-CB 3.3Å; A838-N842 PolarHBondContact O-N 2.91Å; A838-N842 PolarHBondContact O-ND2 2.67Å; E839-N842 CarbonylContact O-C 3.52Å; E839-N842 WeakPolarHBondContact O-CA 3.1Å; E839-N842 WeakPolarHBondContact O-CB 3.45Å; E839-N842 PolarHBondContact O-N 2.87Å; E839-N842 VanDerWaalsContact O-N 3.08Å; I840-N842 VanDerWaalsContact C-N 3.28Å; I840-N842 PolarHBondContact O-N 3.24Å; N842-R845 WeakPolarHBondContact O-CB 3.46Å; N842-R845 PolarHBondContact O-N 3.11Å; N842-R845 PolarHBondContact OD1-NH1 3Å; N842-R845 PolarHBondContact OD1-NH2 2.98Å; N842-R846 WeakPolarHBondContact O-CG 3.46Å; N842-R846 PolarHBondContact O-N 3.29Å |
| 843 | L | 91.3 | Very high | 84.1 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 176.9 | -71.5 | 172.7 | 0 | 0 | 0 | 112.1 | L709 K713 L714 E839 I840 R845 R846 V847 | L709-L843 HydrophobicContact CB-CD2 4.19Å; L709-L843 HydrophobicContact CD1-CD2 4.03Å; L709-L843 HydrophobicContact CG-CD2 4.5Å; K713-L843 HydrophobicContact CB-CD1 3.57Å; K713-L843 HydrophobicContact CD-CD1 3.75Å; K713-L843 HydrophobicContact CG-CD1 4.24Å; L714-L843 HydrophobicContact CD1-CB 4.33Å; L714-L843 HydrophobicContact CD2-CB 3.95Å; L714-L843 HydrophobicContact CD2-CD1 4.23Å; L714-L843 HydrophobicContact CG-CB 4.37Å; E839-L843 HydrophobicContact CG-CD1 4.45Å; E839-L843 WeakPolarHBondContact O-CG 3.08Å; E839-L843 PolarHBondContact O-N 3.06Å; I840-L843 PolarHBondContact O-N 3Å; L843-R845 VanDerWaalsContact C-N 3.28Å; L843-R845 PolarHBondContact O-N 2.87Å; L843-R846 WeakPolarHBondContact O-CA 3.29Å; L843-R846 WeakPolarHBondContact O-CB 3.43Å; L843-R846 PolarHBondContact O-N 2.75Å; L843-V847 WeakPolarHBondContact O-CG2 3.23Å; L843-V847 PolarHBondContact O-N 3Å |
| 844 | W | 92.5 | Very high | 83.4 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 3% | 0.03 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.3 | -35.1 | 173.9 | -74.6 | 121.9 | 0 | 0 | 0 | 112.6 | L694 L714 L716 L776 M777 F784 I840 V847 R848 | L694-W844 HydrophobicContact CD1-CH2 3.82Å; L694-W844 HydrophobicContact CD1-CZ3 4.1Å; L714-W844 HydrophobicContact CB-CH2 4.3Å; L714-W844 HydrophobicContact CB-CZ2 4.04Å; L714-W844 HydrophobicContact CD1-CD2 4.07Å; L714-W844 HydrophobicContact CD1-CE3 4.03Å; L714-W844 HydrophobicContact CD1-CH2 3.96Å; L714-W844 HydrophobicContact CD1-CZ2 4.03Å; L714-W844 HydrophobicContact CD1-CZ3 3.98Å; L714-W844 HydrophobicContact CD2-CD2 4.22Å; L714-W844 HydrophobicContact CD2-CG 4.43Å; L714-W844 HydrophobicContact CD2-CZ2 4.01Å; L714-W844 HydrophobicContact CG-CZ2 4.25Å; L716-W844 HydrophobicContact CD1-CH2 4.34Å; L716-W844 HydrophobicContact CD2-CH2 4.27Å; L716-W844 HydrophobicContact CG-CH2 4.46Å; L776-W844 HydrophobicContact CB-CD2 4.27Å; L776-W844 HydrophobicContact CB-CG 4.44Å; L776-W844 HydrophobicContact CB-CZ2 4.45Å; L776-W844 HydrophobicContact CD1-CD2 4.23Å; L776-W844 HydrophobicContact CD1-CE3 4.39Å; L776-W844 HydrophobicContact CD1-CH2 3.53Å; L776-W844 HydrophobicContact CD1-CZ2 3.28Å; L776-W844 HydrophobicContact CD1-CZ3 4.07Å; L776-W844 HydrophobicContact CG-CZ2 4.48Å; M777-W844 HydrophobicContact CG-CB 3.27Å; M777-W844 HydrophobicContact CG-CG 4.22Å; M777-W844 HydrophobicContact SD-CB 3.98Å; F784-W844 HydrophobicContact CD2-CZ2 4.29Å; F784-W844 AromaticContact CE2-CH2 3.91Å; F784-W844 HydrophobicContact CE2-CH2 3.91Å; F784-W844 AromaticContact CE2-CZ2 3.81Å; F784-W844 HydrophobicContact CE2-CZ2 3.81Å; I840-W844 PolarHBondContact O-N 3.29Å; W844-V847 HydrophobicContact CE3-CB 4.33Å; W844-V847 HydrophobicContact CE3-CG1 4.42Å; W844-V847 HydrophobicContact CE3-CG2 4.48Å; W844-V847 HydrophobicContact CZ3-CG1 4.45Å; W844-V847 PolarHBondContact O-N 3.36Å; W844-R848 WeakPolarHBondContact O-CB 3.11Å; W844-R848 PolarHBondContact O-N 2.61Å |
| 845 | R | 91.7 | Very high | 82.3 | Confident | 139 Ų | 139 | 57.3 Ų | 57.3 | 53% | 0.525 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 170.3 | -82.7 | -175.6 | -96.8 | 162 | -3 | 112 | M777 K841 N842 L843 R848 S849 | M777-R845 HydrophobicContact CE-CG 4.39Å; M777-R845 HydrophobicContact SD-CB 3.97Å; M777-R845 HydrophobicContact SD-CG 3.19Å; M777-R845 WeakPolarHBondContact SD-CG 3.48Å; M777-R845 PolarHBondContact SD-N 2.84Å; M777-R845 VanDerWaalsContact SD-N 3.35Å; K841-R845 WeakPolarHBondContact O-CG 3.29Å; K841-R845 PolarHBondContact O-N 3.44Å; K841-R845 PolarHBondContact O-NE 2.69Å; N842-R845 WeakPolarHBondContact O-CB 3.46Å; N842-R845 PolarHBondContact O-N 3.11Å; N842-R845 PolarHBondContact OD1-NH1 3Å; N842-R845 PolarHBondContact OD1-NH2 2.98Å; L843-R845 VanDerWaalsContact C-N 3.28Å; L843-R845 PolarHBondContact O-N 2.87Å; R845-R848 PolarHBondContact O-N 3.45Å; R845-S849 WeakPolarHBondContact O-CB 3.22Å; R845-S849 PolarHBondContact O-N 3.48Å |
| 846 | R | 91.2 | Very high | 81 | Confident | 109 Ų | 109 | 54.1 Ų | 54.1 | 41% | 0.411 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 175.6 | -71.8 | 173.2 | 69.1 | 176.3 | 2.4 | 111.4 | E705 M706 N842 L843 S849 F850 | E705-R846 IonicContact OE1-NH2 3.87Å; M706-R846 HydrophobicContact CE-CB 3.8Å; M706-R846 HydrophobicContact SD-CB 4.21Å; M706-R846 PolarHBondContact SD-NE 2.89Å; M706-R846 PolarHBondContact SD-NH2 3.36Å; M706-R846 VanDerWaalsContact SD-NH2 3.42Å; N842-R846 WeakPolarHBondContact O-CG 3.46Å; N842-R846 PolarHBondContact O-N 3.29Å; L843-R846 WeakPolarHBondContact O-CA 3.29Å; L843-R846 WeakPolarHBondContact O-CB 3.43Å; L843-R846 PolarHBondContact O-N 2.75Å; R846-S849 PolarHBondContact O-N 3.23Å; R846-F850 VanDerWaalsContact O-CB 3.28Å; R846-F850 WeakPolarHBondContact O-CB 3.44Å; R846-F850 PolarHBondContact O-N 3.29Å |
| 847 | V | 89.6 | Confident | 79.6 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.8 | -47 | 176 | 172.7 | 0 | 0 | 0 | 0 | 111 | Y698 M706 L714 I769 L843 W844 F850 H851 | Y698-V847 HydrophobicContact CD2-CG1 4.3Å; Y698-V847 HydrophobicContact CE2-CG2 4.46Å; M706-V847 HydrophobicContact CE-CG2 3.98Å; L714-V847 HydrophobicContact CD1-CG2 3.92Å; I769-V847 HydrophobicContact CD1-CG1 4.38Å; I769-V847 HydrophobicContact CG1-CG1 4.38Å; L843-V847 WeakPolarHBondContact O-CG2 3.23Å; L843-V847 PolarHBondContact O-N 3Å; W844-V847 HydrophobicContact CE3-CB 4.33Å; W844-V847 HydrophobicContact CE3-CG1 4.42Å; W844-V847 HydrophobicContact CE3-CG2 4.48Å; W844-V847 HydrophobicContact CZ3-CG1 4.45Å; W844-V847 PolarHBondContact O-N 3.36Å; V847-F850 PolarHBondContact O-N 3.13Å; V847-H851 PolarHBondContact O-N 2.64Å; V847-H851 PolarHBondContact O-ND1 3.38Å |
| 848 | R | 88.3 | Confident | 78.2 | Confident | 46 Ų | 46 | 59.7 Ų | 59.7 | 17% | 0.174 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.5 | -52.7 | 175.7 | -179.3 | -178.5 | 169.6 | 168.3 | -3.4 | 111.1 | T770 T774 M777 W844 R845 F850 H851 E852 | T770-R848 HydrophobicContact CG2-CG 4.21Å; T774-R848 PolarHBondContact OG1-NH1 2.74Å; M777-R848 HydrophobicContact CE-CB 4.37Å; W844-R848 WeakPolarHBondContact O-CB 3.11Å; W844-R848 PolarHBondContact O-N 2.61Å; R845-R848 PolarHBondContact O-N 3.45Å; R848-F850 VanDerWaalsContact C-N 3.28Å; R848-F850 PolarHBondContact O-N 2.77Å; R848-H851 CarbonylContact O-C 3.43Å; R848-H851 PolarHBondContact O-N 3.34Å; R848-E852 HydrophobicContact CG-CG 4.2Å; R848-E852 IonicContact CZ-OE1 2.84Å; R848-E852 VanDerWaalsContact CZ-OE1 3.25Å; R848-E852 VanDerWaalsContact NE-CD 3.31Å; R848-E852 IonicContact NE-OE1 3.73Å; R848-E852 PolarHBondContact NE-OE1 3.12Å; R848-E852 IonicContact NE-OE2 3.86Å; R848-E852 PolarHBondContact NE-OE2 2.83Å; R848-E852 IonicContact NH2-OE1 3.41Å; R848-E852 PolarHBondContact NH2-OE1 2.82Å; R848-E852 PolarHBondContact O-N 3.41Å |
| 849 | S | 86.9 | Confident | 76.6 | Confident | 53 Ų | 53 | 58 Ų | 58 | 37% | 0.371 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.6 | -38.6 | -179.8 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | R845 R846 H851 E852 Q853 | R845-S849 WeakPolarHBondContact O-CB 3.22Å; R845-S849 PolarHBondContact O-N 3.48Å; R846-S849 PolarHBondContact O-N 3.23Å; S849-H851 VanDerWaalsContact C-N 3.26Å; S849-H851 PolarHBondContact O-N 3Å; S849-E852 PolarHBondContact O-N 3.26Å; S849-Q853 WeakPolarHBondContact O-CB 3.02Å; S849-Q853 VanDerWaalsContact O-CG 3.3Å; S849-Q853 WeakPolarHBondContact O-CG 3.31Å; S849-Q853 PolarHBondContact O-N 3.35Å |
| 850 | F | 83 | Confident | 74.7 | Confident | 45 Ų | 45 | 56 Ų | 56 | 20% | 0.197 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61 | -34.1 | 176.4 | 178.6 | -112.8 | 0 | 0 | 0 | 112.8 | R699 C702 R846 V847 R848 | R699-F850 HydrophobicContact CB-CE1 4.23Å; C702-F850 HydrophobicContact CB-CZ 3.74Å; R846-F850 VanDerWaalsContact O-CB 3.28Å; R846-F850 WeakPolarHBondContact O-CB 3.44Å; R846-F850 PolarHBondContact O-N 3.29Å; V847-F850 PolarHBondContact O-N 3.13Å; R848-F850 VanDerWaalsContact C-N 3.28Å; R848-F850 PolarHBondContact O-N 2.77Å |
| 851 | H | 82.5 | Confident | 72.9 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.046 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -91.7 | -20.3 | 178.9 | -67.2 | 88.5 | 0 | 0 | 0 | 113.8 | Y698 L766 I769 T770 V847 R848 S849 | Y698-H851 AromaticContact CD2-CE1 3.84Å; L766-H851 HydrophobicContact CD2-CB 4.06Å; I769-H851 VanDerWaalsContact CD1-CE1 3.41Å; I769-H851 WeakPolarHBondContact CD1-CE1 3.48Å; I769-H851 HydrophobicContact CG2-CB 3.9Å; T770-H851 HydrophobicContact CG2-CB 4.3Å; V847-H851 PolarHBondContact O-N 2.64Å; V847-H851 PolarHBondContact O-ND1 3.38Å; R848-H851 CarbonylContact O-C 3.43Å; R848-H851 PolarHBondContact O-N 3.34Å; S849-H851 VanDerWaalsContact C-N 3.26Å; S849-H851 PolarHBondContact O-N 3Å |
| 852 | E | 79.1 | Confident | 71 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -83.3 | -21.6 | 172.3 | -73.1 | 179.2 | 156.7 | 0 | 0 | 113 | T770 R848 S849 L890 | T770-E852 HydrophobicContact CG2-CG 3.66Å; R848-E852 HydrophobicContact CG-CG 4.2Å; R848-E852 IonicContact CZ-OE1 2.84Å; R848-E852 VanDerWaalsContact CZ-OE1 3.25Å; R848-E852 VanDerWaalsContact NE-CD 3.31Å; R848-E852 IonicContact NE-OE1 3.73Å; R848-E852 PolarHBondContact NE-OE1 3.12Å; R848-E852 IonicContact NE-OE2 3.86Å; R848-E852 PolarHBondContact NE-OE2 2.83Å; R848-E852 IonicContact NH2-OE1 3.41Å; R848-E852 PolarHBondContact NH2-OE1 2.82Å; R848-E852 PolarHBondContact O-N 3.41Å; S849-E852 PolarHBondContact O-N 3.26Å; E852-L890 HydrophobicContact CG-CD2 4.3Å |
| 853 | Q | 71.5 | Confident | 69.1 | Low | 116 Ų | 116 | 63.5 Ų | 63.5 | 54% | 0.542 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -74.2 | 150.5 | -176.9 | -86.2 | -156 | -0.8 | 0 | 0 | 113.7 | S849 Y855 | S849-Q853 WeakPolarHBondContact O-CB 3.02Å; S849-Q853 VanDerWaalsContact O-CG 3.3Å; S849-Q853 WeakPolarHBondContact O-CG 3.31Å; S849-Q853 PolarHBondContact O-N 3.35Å; Q853-Y855 PolarHBondContact O-N 2.9Å |
| 854 | P | 53.6 | Low | 67.3 | Low | 58 Ų | 58 | 64.4 Ų | 64.4 | 38% | 0.377 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 29.6 | -174.1 | 33.2 | -37.5 | 0 | 0 | 0 | 113.8 | L856 E857 | P854-L856 CarbonylContact O-C 3.55Å; P854-L856 PolarHBondContact O-N 3.28Å; P854-E857 WeakPolarHBondContact O-CB 3.28Å; P854-E857 PolarHBondContact O-N 3.28Å |
| 855 | Y | 52.5 | Low | 65.7 | Low | 143 Ų | 143 | 68 Ų | 68 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -8.7 | 167.2 | -133.1 | -104.1 | 0 | 0 | 0 | 112.2 | Q853 E857 M858 | Q853-Y855 PolarHBondContact O-N 2.9Å; Y855-E857 PolarHBondContact O-N 2.93Å; Y855-M858 HydrophobicContact CD1-CE 3.97Å; Y855-M858 HydrophobicContact CE1-CE 3.22Å; Y855-M858 PolarHBondContact O-N 3.27Å |
| 856 | L | 53.5 | Low | 64.8 | Low | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -46.4 | -26 | 155.9 | -67.4 | 151.8 | 0 | 0 | 0 | 114.7 | P854 M858 L859 A860 F864 L867 | P854-L856 CarbonylContact O-C 3.55Å; P854-L856 PolarHBondContact O-N 3.28Å; L856-M858 VanDerWaalsContact C-N 3.34Å; L856-M858 PolarHBondContact O-N 3.19Å; L856-L859 HydrophobicContact CD2-CD1 4.33Å; L856-L859 WeakPolarHBondContact O-CA 3.47Å; L856-L859 VanDerWaalsContact O-CB 3.29Å; L856-L859 WeakPolarHBondContact O-CB 3.27Å; L856-L859 PolarHBondContact O-N 3.24Å; L856-A860 PolarHBondContact O-N 3.23Å; L856-F864 HydrophobicContact CB-CE1 4.07Å; L856-F864 HydrophobicContact CD2-CE1 3.51Å; L856-F864 HydrophobicContact CD2-CE2 4.28Å; L856-F864 HydrophobicContact CD2-CZ 3.34Å; L856-F864 HydrophobicContact CG-CE1 4.37Å; L856-L867 HydrophobicContact CD1-CD1 4.17Å; L856-L867 HydrophobicContact CD1-CD2 4.48Å; L856-L867 HydrophobicContact CD1-CG 4.27Å; L856-L867 HydrophobicContact CD2-CD2 3.96Å; L856-L867 HydrophobicContact CD2-CG 4.47Å |
| 857 | E | 49.4 | Very low | 64.5 | Low | 121 Ų | 121 | 56.5 Ų | 56.5 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.1 | -34.4 | 175.6 | -79 | -177.4 | 176.5 | 0 | 0 | 112.9 | P854 Y855 L859 A860 S861 R897 | P854-E857 WeakPolarHBondContact O-CB 3.28Å; P854-E857 PolarHBondContact O-N 3.28Å; Y855-E857 PolarHBondContact O-N 2.93Å; E857-L859 PolarHBondContact O-N 2.85Å; E857-A860 WeakPolarHBondContact O-CA 3.5Å; E857-A860 VanDerWaalsContact O-CB 3.23Å; E857-A860 WeakPolarHBondContact O-CB 3.4Å; E857-A860 PolarHBondContact O-N 3.23Å; E857-S861 PolarHBondContact O-N 2.72Å; E857-R897 HydrophobicContact CG-CG 4.25Å |
| 858 | M | 50.4 | Low | 64.2 | Low | 77 Ų | 77 | 57.8 Ų | 57.8 | 38% | 0.379 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.5 | -30 | 172.4 | -169.5 | -164.6 | -64.1 | 0 | 0 | 111.2 | L749 Y855 L856 S861 | L749-M858 HydrophobicContact CD1-SD 4.14Å; L749-M858 HydrophobicContact CD2-SD 3.88Å; Y855-M858 HydrophobicContact CD1-CE 3.97Å; Y855-M858 HydrophobicContact CE1-CE 3.22Å; Y855-M858 PolarHBondContact O-N 3.27Å; L856-M858 VanDerWaalsContact C-N 3.34Å; L856-M858 PolarHBondContact O-N 3.19Å; M858-S861 PolarHBondContact O-OG 3.27Å |
| 859 | L | 49.2 | Very low | 64.3 | Low | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.1 | -32.5 | 172.2 | -60.3 | 169.6 | 0 | 0 | 0 | 110.8 | L753 L856 E857 S861 R862 F864 | L753-L859 HydrophobicContact CD2-CD2 4.26Å; L856-L859 HydrophobicContact CD2-CD1 4.33Å; L856-L859 WeakPolarHBondContact O-CA 3.47Å; L856-L859 VanDerWaalsContact O-CB 3.29Å; L856-L859 WeakPolarHBondContact O-CB 3.27Å; L856-L859 PolarHBondContact O-N 3.24Å; E857-L859 PolarHBondContact O-N 2.85Å; L859-S861 VanDerWaalsContact C-N 3.26Å; L859-S861 PolarHBondContact O-N 3.25Å; L859-R862 CarbonylContact O-C 3.55Å; L859-R862 WeakPolarHBondContact O-CA 3.32Å; L859-R862 PolarHBondContact O-N 3.4Å; L859-F864 HydrophobicContact CB-CB 3.61Å; L859-F864 HydrophobicContact CB-CD1 4.09Å; L859-F864 HydrophobicContact CB-CD2 4.03Å; L859-F864 HydrophobicContact CB-CG 3.66Å; L859-F864 HydrophobicContact CD1-CD2 4.31Å; L859-F864 HydrophobicContact CD1-CE2 4.37Å; L859-F864 WeakPolarHBondContact O-CB 3.32Å; L859-F864 PolarHBondContact O-N 2.84Å |
| 860 | A | 47.9 | Very low | 64.3 | Low | 39 Ų | 39 | 57.2 Ų | 57.2 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.8 | -36.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L856 E857 R862 G863 | L856-A860 PolarHBondContact O-N 3.23Å; E857-A860 WeakPolarHBondContact O-CA 3.5Å; E857-A860 VanDerWaalsContact O-CB 3.23Å; E857-A860 WeakPolarHBondContact O-CB 3.4Å; E857-A860 PolarHBondContact O-N 3.23Å; A860-R862 PolarHBondContact O-N 2.61Å; A860-G863 PolarHBondContact O-N 2.84Å |
| 861 | S | 47.3 | Very low | 64.5 | Low | 101 Ų | 101 | 56 Ų | 56 | 71% | 0.706 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -7.9 | 174.2 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | E857 M858 L859 | E857-S861 PolarHBondContact O-N 2.72Å; M858-S861 PolarHBondContact O-OG 3.27Å; L859-S861 VanDerWaalsContact C-N 3.26Å; L859-S861 PolarHBondContact O-N 3.25Å |
| 862 | R | 49.9 | Very low | 65 | Low | 139 Ų | 139 | 55.5 Ų | 55.5 | 53% | 0.525 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 20.7 | 178.6 | -65 | -170 | 175 | -161.9 | 1.6 | 113.7 | T750 L753 L859 A860 | T750-R862 PolarHBondContact OG1-NH1 3.34Å; L753-R862 HydrophobicContact CD1-CB 4.43Å; L753-R862 VanDerWaalsContact CD1-CD 3.4Å; L753-R862 VanDerWaalsContact CD1-NH1 3.32Å; L753-R862 HydrophobicContact CD2-CB 4.05Å; L859-R862 CarbonylContact O-C 3.55Å; L859-R862 WeakPolarHBondContact O-CA 3.32Å; L859-R862 PolarHBondContact O-N 3.4Å; A860-R862 PolarHBondContact O-N 2.61Å |
| 863 | G | 49.4 | Very low | 65.6 | Low | 66 Ų | 66 | 53.8 Ų | 53.8 | 68% | 0.68 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | 16.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A860 K865 | A860-G863 PolarHBondContact O-N 2.84Å; G863-K865 PolarHBondContact O-N 2.76Å |
| 864 | F | 53.2 | Low | 66.4 | Low | 27 Ų | 27 | 49.8 Ų | 49.8 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | trans | -63.1 | 126.6 | 175.8 | 178.6 | -107.5 | 0 | 0 | 0 | 112.1 | I762 L856 L859 G866 L867 | I762-F864 HydrophobicContact CD1-CD2 4.35Å; I762-F864 HydrophobicContact CD1-CE2 3.57Å; I762-F864 HydrophobicContact CD1-CZ 4.49Å; L856-F864 HydrophobicContact CB-CE1 4.07Å; L856-F864 HydrophobicContact CD2-CE1 3.51Å; L856-F864 HydrophobicContact CD2-CE2 4.28Å; L856-F864 HydrophobicContact CD2-CZ 3.34Å; L856-F864 HydrophobicContact CG-CE1 4.37Å; L859-F864 HydrophobicContact CB-CB 3.61Å; L859-F864 HydrophobicContact CB-CD1 4.09Å; L859-F864 HydrophobicContact CB-CD2 4.03Å; L859-F864 HydrophobicContact CB-CG 3.66Å; L859-F864 HydrophobicContact CD1-CD2 4.31Å; L859-F864 HydrophobicContact CD1-CE2 4.37Å; L859-F864 WeakPolarHBondContact O-CB 3.32Å; L859-F864 PolarHBondContact O-N 2.84Å; F864-G866 VanDerWaalsContact C-N 3.29Å; F864-G866 VanDerWaalsContact CD1-N 3.31Å; F864-G866 VanDerWaalsContact CE1-N 3.33Å; F864-G866 VanDerWaalsContact CZ-C 3.45Å; F864-G866 WeakPolarHBondContact CZ-O 3.31Å; F864-G866 PolarHBondContact O-N 3.26Å; F864-L867 HydrophobicContact CZ-CD2 4.24Å | ||
| 865 | K | 59.1 | Low | 68.2 | Low | 82 Ų | 82 | 48.1 Ų | 48.1 | 36% | 0.357 | 25% | 0.251 | S | S | . | . | trans | -71.8 | -14.8 | -178.1 | -85.7 | 178 | 176.3 | 165.5 | 0 | 114.9 | S90 G863 | S90-K865 WeakPolarHBondContact O-CE 3.48Å; S90-K865 PolarHBondContact O-NZ 2.84Å; G863-K865 PolarHBondContact O-N 2.76Å | ||
| 866 | G | 73.8 | Confident | 70.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | 98.7 | -178.5 | -165 | 0 | 0 | 0 | 0 | 0 | 112.8 | S759 F864 E894 R897 | S759-G866 WeakPolarHBondContact CB-O 3.37Å; S759-G866 PolarHBondContact OG-O 3.46Å; F864-G866 VanDerWaalsContact C-N 3.29Å; F864-G866 VanDerWaalsContact CD1-N 3.31Å; F864-G866 VanDerWaalsContact CE1-N 3.33Å; F864-G866 VanDerWaalsContact CZ-C 3.45Å; F864-G866 WeakPolarHBondContact CZ-O 3.31Å; F864-G866 PolarHBondContact O-N 3.26Å; G866-E894 WeakPolarHBondContact CA-OE1 3.19Å; G866-R897 VanDerWaalsContact CA-NH2 3.32Å | ||
| 867 | L | 84.6 | Confident | 71.9 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | trans | -80.6 | 157.7 | 171.1 | -59.3 | -177.8 | 0 | 0 | 0 | 111.3 | S759 I762 L766 L856 F864 V869 L872 L890 E894 | S759-L867 WeakPolarHBondContact OG-CA 3.42Å; I762-L867 HydrophobicContact CG2-CD2 3.76Å; L766-L867 HydrophobicContact CD1-CD1 4Å; L766-L867 HydrophobicContact CD1-CD2 3.65Å; L766-L867 HydrophobicContact CD1-CG 4.48Å; L856-L867 HydrophobicContact CD1-CD1 4.17Å; L856-L867 HydrophobicContact CD1-CD2 4.48Å; L856-L867 HydrophobicContact CD1-CG 4.27Å; L856-L867 HydrophobicContact CD2-CD2 3.96Å; L856-L867 HydrophobicContact CD2-CG 4.47Å; F864-L867 HydrophobicContact CZ-CD2 4.24Å; L867-V869 PolarHBondContact O-N 3.3Å; L867-L872 HydrophobicContact CB-CD1 3.89Å; L867-L872 HydrophobicContact CD1-CD1 4.17Å; L867-L890 HydrophobicContact CD1-CB 4.3Å; L867-L890 HydrophobicContact CD1-CD2 4.24Å; L867-E894 HydrophobicContact CB-CB 4.36Å; L867-E894 HydrophobicContact CB-CG 4.02Å; L867-E894 HydrophobicContact CD1-CB 4.43Å; L867-E894 VanDerWaalsContact N-CD 3.34Å; L867-E894 PolarHBondContact N-OE1 3.03Å; L867-E894 VanDerWaalsContact N-OE1 3.13Å | ||
| 868 | D | 84 | Confident | 73.7 | Confident | 28 Ų | 28 | 36.2 Ų | 36.2 | 15% | 0.15 | 20% | 0.201 | C | C | . | . | trans | -77.3 | 91.3 | 179.4 | -172.3 | -23.8 | 0 | 0 | 0 | 108.7 | S759 S760 T763 E870 L871 L872 | S759-D868 PolarHBondContact OG-N 3.04Å; S760-D868 WeakPolarHBondContact CB-OD2 3.38Å; S760-D868 PolarHBondContact OG-OD2 2.88Å; T763-D868 HydrophobicContact CG2-CB 4.35Å; T763-D868 PolarHBondContact OG1-N 2.61Å; D868-E870 PolarHBondContact O-N 3.24Å; D868-E870 WeakPolarHBondContact OD1-CB 3.39Å; D868-E870 PolarHBondContact OD1-N 2.98Å; D868-E870 VanDerWaalsContact OD1-N 3.16Å; D868-L871 HydrophobicContact CB-CB 3.9Å; D868-L871 PolarHBondContact O-N 3.31Å; D868-L871 PolarHBondContact OD1-N 3.2Å; D868-L872 WeakPolarHBondContact O-CG 3.42Å; D868-L872 PolarHBondContact O-N 2.88Å | ||
| 869 | V | 89 | Confident | 75.2 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58 | -34.2 | -179.1 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | L867 L872 A873 L891 E894 L898 L906 L994 | L867-V869 PolarHBondContact O-N 3.3Å; V869-L872 PolarHBondContact O-N 3.32Å; V869-A873 WeakPolarHBondContact O-CB 3.48Å; V869-A873 PolarHBondContact O-N 2.68Å; V869-L891 HydrophobicContact CB-CD1 4.46Å; V869-L891 HydrophobicContact CG1-CD1 3.77Å; V869-E894 HydrophobicContact CG2-CG 3.99Å; V869-L898 HydrophobicContact CG2-CD1 4.46Å; V869-L906 HydrophobicContact CG1-CD1 4.12Å; V869-L994 HydrophobicContact CG1-CD1 3.29Å; V869-L994 HydrophobicContact CG1-CD2 3.77Å; V869-L994 HydrophobicContact CG1-CG 4.17Å |
| 870 | E | 87.9 | Confident | 76.8 | Confident | 73 Ų | 73 | 42.6 Ų | 42.6 | 34% | 0.341 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.4 | -46.8 | 180 | -45.7 | -170.5 | 176.9 | 0 | 0 | 109.9 | D868 A873 M874 K909 W910 I990 | D868-E870 PolarHBondContact O-N 3.24Å; D868-E870 WeakPolarHBondContact OD1-CB 3.39Å; D868-E870 PolarHBondContact OD1-N 2.98Å; D868-E870 VanDerWaalsContact OD1-N 3.16Å; E870-A873 PolarHBondContact O-N 2.9Å; E870-M874 WeakPolarHBondContact O-CG 3.33Å; E870-M874 PolarHBondContact O-N 3.36Å; E870-K909 IonicContact OE1-NZ 3.08Å; E870-K909 PolarHBondContact OE1-NZ 3.3Å; E870-W910 HydrophobicContact CB-CZ2 4.4Å; E870-W910 VanDerWaalsContact CD-CZ2 3.44Å; E870-W910 HydrophobicContact CG-CH2 4.48Å; E870-W910 HydrophobicContact CG-CZ2 3.65Å; E870-W910 WeakPolarHBondContact OE1-CZ2 3.49Å; E870-I990 HydrophobicContact CB-CG2 4.47Å |
| 871 | L | 86.9 | Confident | 78.6 | Confident | 19 Ų | 19 | 42 Ų | 42 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 174.9 | -179.9 | 60.7 | 0 | 0 | 0 | 112.1 | T763 Q764 D868 M874 R875 | T763-L871 HydrophobicContact CG2-CB 4.4Å; T763-L871 HydrophobicContact CG2-CD2 3.87Å; T763-L871 HydrophobicContact CG2-CG 4.21Å; Q764-L871 HydrophobicContact CG-CD2 3.71Å; D868-L871 HydrophobicContact CB-CB 3.9Å; D868-L871 PolarHBondContact O-N 3.31Å; D868-L871 PolarHBondContact OD1-N 3.2Å; L871-M874 WeakPolarHBondContact O-CB 3.47Å; L871-M874 PolarHBondContact O-N 3.1Å; L871-R875 HydrophobicContact CD1-CG 4.25Å; L871-R875 HydrophobicContact CG-CG 4.49Å; L871-R875 VanDerWaalsContact O-CG 3.23Å; L871-R875 WeakPolarHBondContact O-CG 3.43Å; L871-R875 PolarHBondContact O-N 2.9Å |
| 872 | L | 92 | Very high | 80.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 177.3 | -72.9 | 172.2 | 0 | 0 | 0 | 112.3 | T763 L767 L867 D868 V869 M874 R875 W876 A887 L890 L891 | T763-L872 HydrophobicContact CG2-CD1 4.27Å; T763-L872 HydrophobicContact CG2-CD2 3.6Å; T763-L872 HydrophobicContact CG2-CG 3.56Å; L767-L872 HydrophobicContact CD1-CD2 4.25Å; L767-L872 HydrophobicContact CD2-CD2 3.98Å; L767-L872 HydrophobicContact CG-CD2 4.13Å; L867-L872 HydrophobicContact CB-CD1 3.89Å; L867-L872 HydrophobicContact CD1-CD1 4.17Å; D868-L872 WeakPolarHBondContact O-CG 3.42Å; D868-L872 PolarHBondContact O-N 2.88Å; V869-L872 PolarHBondContact O-N 3.32Å; L872-M874 VanDerWaalsContact C-N 3.32Å; L872-M874 PolarHBondContact O-N 3.22Å; L872-R875 CarbonylContact O-C 3.54Å; L872-R875 PolarHBondContact O-N 2.84Å; L872-R875 VanDerWaalsContact O-N 3.17Å; L872-W876 PolarHBondContact O-N 3.25Å; L872-A887 HydrophobicContact CD2-CB 4.46Å; L872-L890 HydrophobicContact CD1-CB 4.18Å; L872-L890 HydrophobicContact CD2-CB 3.74Å; L872-L890 HydrophobicContact CD2-CD1 4.19Å; L872-L891 HydrophobicContact CB-CB 4.06Å; L872-L891 HydrophobicContact CB-CD1 4.11Å; L872-L891 HydrophobicContact CB-CG 4.48Å; L872-L891 HydrophobicContact CD1-CB 4.33Å; L872-L891 HydrophobicContact CD1-CD1 4.42Å |
| 873 | A | 92.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.5 | -36.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V869 E870 W876 L891 I990 V993 L994 | V869-A873 WeakPolarHBondContact O-CB 3.48Å; V869-A873 PolarHBondContact O-N 2.68Å; E870-A873 PolarHBondContact O-N 2.9Å; A873-W876 WeakPolarHBondContact O-CB 3.18Å; A873-L891 HydrophobicContact CB-CD2 4.45Å; A873-I990 HydrophobicContact CB-CG2 4.16Å; A873-V993 HydrophobicContact CB-CG1 4.29Å; A873-L994 HydrophobicContact CB-CB 4.14Å |
| 874 | M | 89.5 | Confident | 84.3 | Confident | 33 Ų | 33 | 29.6 Ų | 29.6 | 16% | 0.163 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 169.6 | -71.6 | -177.9 | 55.4 | 0 | 0 | 111.7 | E870 L871 L872 W876 Q877 R986 I990 | E870-M874 WeakPolarHBondContact O-CG 3.33Å; E870-M874 PolarHBondContact O-N 3.36Å; L871-M874 WeakPolarHBondContact O-CB 3.47Å; L871-M874 PolarHBondContact O-N 3.1Å; L872-M874 VanDerWaalsContact C-N 3.32Å; L872-M874 PolarHBondContact O-N 3.22Å; M874-W876 PolarHBondContact O-N 3.24Å; M874-Q877 WeakPolarHBondContact O-CB 3.19Å; M874-Q877 PolarHBondContact O-N 3.23Å; M874-R986 VanDerWaalsContact CE-NH2 3.35Å; M874-R986 VanDerWaalsContact SD-CZ 3.55Å; M874-R986 PolarHBondContact SD-NE 3.38Å; M874-R986 PolarHBondContact SD-NH2 2.9Å; M874-I990 HydrophobicContact CG-CD1 3.78Å; M874-I990 HydrophobicContact CG-CG1 3.61Å; M874-I990 HydrophobicContact SD-CD1 3.97Å; M874-I990 HydrophobicContact SD-CG1 4.45Å |
| 875 | R | 91 | Very high | 86 | Confident | 22 Ų | 22 | 32.1 Ų | 32.1 | 8% | 0.083 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.2 | -18 | -178.1 | -64.8 | -72.9 | 163.4 | -162.9 | -5.3 | 113.5 | D16 E640 L767 L871 L872 Q877 D878 R884 A887 | D16-R875 PolarHBondContact O-NH1 2.98Å; D16-R875 PolarHBondContact O-NH2 2.79Å; E640-R875 IonicContact OE1-NH1 2.93Å; E640-R875 PolarHBondContact OE1-NH1 3.23Å; L767-R875 HydrophobicContact CD1-CB 4.22Å; L767-R875 HydrophobicContact CD1-CG 3.77Å; L767-R875 HydrophobicContact CD2-CB 4.35Å; L871-R875 HydrophobicContact CD1-CG 4.25Å; L871-R875 HydrophobicContact CG-CG 4.49Å; L871-R875 VanDerWaalsContact O-CG 3.23Å; L871-R875 WeakPolarHBondContact O-CG 3.43Å; L871-R875 PolarHBondContact O-N 2.9Å; L872-R875 CarbonylContact O-C 3.54Å; L872-R875 PolarHBondContact O-N 2.84Å; L872-R875 VanDerWaalsContact O-N 3.17Å; R875-Q877 PolarHBondContact O-N 3.35Å; R875-D878 WeakPolarHBondContact CD-OD2 3.31Å; R875-D878 IonicContact CZ-OD2 3.17Å; R875-D878 IonicContact NH1-OD2 2.87Å; R875-D878 PolarHBondContact NH1-OD2 2.71Å; R875-D878 WeakPolarHBondContact O-CB 3.36Å; R875-D878 PolarHBondContact O-N 3.38Å; R875-D878 VanDerWaalsContact O-N 3.14Å; R875-R884 WeakPolarHBondContact O-CA 3.42Å; R875-A887 VanDerWaalsContact C-CB 3.5Å; R875-A887 HydrophobicContact CB-CB 3.57Å |
| 876 | W | 92.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.2 | 166.2 | -162.2 | -67.4 | 0 | 0 | 0 | 112.2 | L872 A873 M874 R884 Q888 L891 I892 V993 V997 S1075 L1079 | L872-W876 PolarHBondContact O-N 3.25Å; A873-W876 WeakPolarHBondContact O-CB 3.18Å; M874-W876 PolarHBondContact O-N 3.24Å; W876-R884 WeakPolarHBondContact O-CD 3.46Å; W876-R884 VanDerWaalsContact O-CG 3.26Å; W876-R884 WeakPolarHBondContact O-CG 3.48Å; W876-Q888 HydrophobicContact CD2-CB 4.45Å; W876-Q888 HydrophobicContact CD2-CG 3.61Å; W876-Q888 VanDerWaalsContact CE2-NE2 3.34Å; W876-Q888 HydrophobicContact CE3-CB 4.11Å; W876-Q888 HydrophobicContact CE3-CG 3.77Å; W876-Q888 HydrophobicContact CG-CG 4.27Å; W876-Q888 HydrophobicContact CH2-CB 3.82Å; W876-Q888 HydrophobicContact CH2-CG 3.75Å; W876-Q888 HydrophobicContact CZ2-CB 4.15Å; W876-Q888 HydrophobicContact CZ2-CG 3.56Å; W876-Q888 HydrophobicContact CZ3-CB 3.83Å; W876-Q888 HydrophobicContact CZ3-CG 3.87Å; W876-Q888 VanDerWaalsContact NE1-NE2 3.17Å; W876-L891 HydrophobicContact CE3-CB 4.17Å; W876-L891 HydrophobicContact CE3-CD2 3.62Å; W876-L891 HydrophobicContact CE3-CG 4.42Å; W876-L891 HydrophobicContact CZ3-CB 4.07Å; W876-L891 HydrophobicContact CZ3-CD2 3.91Å; W876-L891 HydrophobicContact CZ3-CG 4.34Å; W876-I892 HydrophobicContact CH2-CD1 4.01Å; W876-I892 HydrophobicContact CH2-CG1 4.17Å; W876-I892 HydrophobicContact CZ3-CD1 4.48Å; W876-I892 HydrophobicContact CZ3-CG1 4.23Å; W876-V993 HydrophobicContact CB-CG1 3.85Å; W876-V993 HydrophobicContact CG-CG1 3.95Å; W876-V997 HydrophobicContact CD2-CG2 4Å; W876-V997 HydrophobicContact CE3-CG2 3.8Å; W876-V997 HydrophobicContact CH2-CG1 4.08Å; W876-V997 HydrophobicContact CH2-CG2 3.72Å; W876-V997 HydrophobicContact CZ2-CG2 3.94Å; W876-V997 HydrophobicContact CZ3-CB 4.49Å; W876-V997 HydrophobicContact CZ3-CG1 3.96Å; W876-V997 HydrophobicContact CZ3-CG2 3.62Å; W876-S1075 PolarHBondContact O-OG 3.22Å; W876-L1079 HydrophobicContact CZ2-CD2 3.88Å |
| 877 | Q | 90.1 | Very high | 88.4 | Confident | 10 Ų | 10 | 28.2 Ų | 28.2 | 5% | 0.047 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -3.9 | 179.6 | -51.4 | 179.3 | 62.1 | 0 | 0 | 112.8 | M874 R875 V993 S1071 L1072 R1074 S1075 | M874-Q877 WeakPolarHBondContact O-CB 3.19Å; M874-Q877 PolarHBondContact O-N 3.23Å; R875-Q877 PolarHBondContact O-N 3.35Å; Q877-V993 HydrophobicContact CG-CG2 3.71Å; Q877-S1071 WeakPolarHBondContact O-CB 3.43Å; Q877-L1072 VanDerWaalsContact OE1-CA 3.25Å; Q877-L1072 VanDerWaalsContact OE1-CB 3.29Å; Q877-L1072 VanDerWaalsContact OE1-CD1 3.3Å; Q877-R1074 PolarHBondContact O-NH2 3.06Å; Q877-S1075 WeakPolarHBondContact CA-OG 3.5Å |
| 878 | D | 86.8 | Confident | 88.8 | Confident | 11 Ų | 11 | 29 Ų | 29 | 6% | 0.059 | 13% | 0.132 | C | C | . | . | trans | -53 | 143 | -171.6 | -160.5 | -57.1 | 0 | 0 | 0 | 113.1 | R875 C880 R884 R1074 | R875-D878 WeakPolarHBondContact CD-OD2 3.31Å; R875-D878 IonicContact CZ-OD2 3.17Å; R875-D878 IonicContact NH1-OD2 2.87Å; R875-D878 PolarHBondContact NH1-OD2 2.71Å; R875-D878 WeakPolarHBondContact O-CB 3.36Å; R875-D878 PolarHBondContact O-N 3.38Å; R875-D878 VanDerWaalsContact O-N 3.14Å; D878-C880 VanDerWaalsContact C-N 3.27Å; D878-C880 PolarHBondContact O-N 3.49Å; D878-C880 WeakPolarHBondContact OD1-CB 3.18Å; D878-C880 PolarHBondContact OD1-N 3.46Å; D878-R884 HydrophobicContact CB-CB 4.41Å; D878-R1074 PolarHBondContact O-NH2 3.22Å | ||
| 879 | R | 81.7 | Confident | 89 | Confident | 209 Ų | 209 | 28.8 Ų | 28.8 | 79% | 0.789 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -66.6 | -34.5 | 179.7 | -65.3 | -175.8 | -175.7 | -150.9 | 3 | 110.8 | ||
| 880 | C | 83.6 | Confident | 89.1 | Confident | 12 Ų | 12 | 28.1 Ų | 28.1 | 8% | 0.081 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -74.8 | 120.4 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | E640 D878 Q882 S883 R884 | E640-C880 HydrophobicContact CG-CB 4.37Å; D878-C880 VanDerWaalsContact C-N 3.27Å; D878-C880 PolarHBondContact O-N 3.49Å; D878-C880 WeakPolarHBondContact OD1-CB 3.18Å; D878-C880 PolarHBondContact OD1-N 3.46Å; C880-Q882 VanDerWaalsContact C-N 3.3Å; C880-Q882 PolarHBondContact O-N 2.83Å; C880-Q882 PolarHBondContact SG-OE1 3.45Å; C880-S883 PolarHBondContact O-N 3.41Å; C880-R884 WeakPolarHBondContact O-CB 3.38Å; C880-R884 PolarHBondContact O-N 3.42Å |
| 881 | S | 84.9 | Confident | 89.4 | Confident | 27 Ų | 27 | 24.7 Ų | 24.7 | 19% | 0.189 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -37 | -176.7 | -164.1 | 0 | 0 | 0 | 0 | 112.7 | R884 E885 | S881-R884 PolarHBondContact O-N 2.97Å; S881-R884 PolarHBondContact OG-NH2 2.91Å; S881-E885 WeakPolarHBondContact O-CG 3.49Å; S881-E885 PolarHBondContact O-N 3.26Å |
| 882 | Q | 88.2 | Confident | 89.6 | Confident | 30 Ų | 30 | 26.1 Ų | 26.1 | 14% | 0.14 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.3 | -42.1 | -178.2 | -64.6 | 85.8 | -15.3 | 0 | 0 | 111.7 | I643 T774 T775 C880 R884 E885 A886 | I643-Q882 HydrophobicContact CD1-CB 4.45Å; I643-Q882 HydrophobicContact CG2-CG 4.5Å; T774-Q882 HydrophobicContact CG2-CG 4.32Å; T775-Q882 WeakPolarHBondContact OG1-CG 3.33Å; C880-Q882 VanDerWaalsContact C-N 3.3Å; C880-Q882 PolarHBondContact O-N 2.83Å; C880-Q882 PolarHBondContact SG-OE1 3.45Å; Q882-R884 VanDerWaalsContact C-N 3.32Å; Q882-E885 PolarHBondContact O-N 3.23Å; Q882-A886 WeakPolarHBondContact O-CB 3.41Å; Q882-A886 PolarHBondContact O-N 3.18Å |
| 883 | S | 87.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 172.9 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | C880 A886 A887 | C880-S883 PolarHBondContact O-N 3.41Å; S883-A886 WeakPolarHBondContact O-CB 3.29Å; S883-A886 PolarHBondContact O-N 3.41Å; S883-A887 WeakPolarHBondContact O-CB 3.31Å; S883-A887 PolarHBondContact O-N 3.38Å |
| 884 | R | 90.7 | Very high | 89.1 | Confident | 16 Ų | 16 | 27.4 Ų | 27.4 | 6% | 0.06 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.4 | -52.4 | 175.6 | 171.8 | 176.6 | 58.3 | -179.7 | -5.3 | 111.8 | R875 W876 D878 C880 S881 Q882 A886 A887 Q888 R1074 E1125 | R875-R884 WeakPolarHBondContact O-CA 3.42Å; W876-R884 WeakPolarHBondContact O-CD 3.46Å; W876-R884 VanDerWaalsContact O-CG 3.26Å; W876-R884 WeakPolarHBondContact O-CG 3.48Å; D878-R884 HydrophobicContact CB-CB 4.41Å; C880-R884 WeakPolarHBondContact O-CB 3.38Å; C880-R884 PolarHBondContact O-N 3.42Å; S881-R884 PolarHBondContact O-N 2.97Å; S881-R884 PolarHBondContact OG-NH2 2.91Å; Q882-R884 VanDerWaalsContact C-N 3.32Å; R884-A886 VanDerWaalsContact C-N 3.27Å; R884-A886 PolarHBondContact O-N 2.94Å; R884-A887 CarbonylContact O-C 3.54Å; R884-A887 WeakPolarHBondContact O-CA 3.44Å; R884-A887 WeakPolarHBondContact O-CB 3.28Å; R884-A887 PolarHBondContact O-N 3.11Å; R884-Q888 HydrophobicContact CG-CG 4.5Å; R884-Q888 VanDerWaalsContact O-CG 3.28Å; R884-Q888 WeakPolarHBondContact O-CG 3.49Å; R884-Q888 PolarHBondContact O-N 2.95Å; R884-R1074 VanDerWaalsContact NH1-CD 3.3Å; R884-R1074 VanDerWaalsContact NH1-CZ 3.31Å; R884-R1074 VanDerWaalsContact NH1-NE 3.17Å; R884-E1125 IonicContact CZ-OE2 3.18Å; R884-E1125 IonicContact NH1-OE2 3.48Å; R884-E1125 IonicContact NH2-OE2 3.22Å; R884-E1125 PolarHBondContact NH2-OE2 2.99Å |
| 885 | E | 89.4 | Confident | 89.1 | Confident | 79 Ų | 79 | 25.8 Ų | 25.8 | 37% | 0.369 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -58.8 | -38 | 178.9 | -77.3 | 177.2 | -156.3 | 0 | 0 | 112.9 | S881 Q882 Q888 G889 | S881-E885 WeakPolarHBondContact O-CG 3.49Å; S881-E885 PolarHBondContact O-N 3.26Å; Q882-E885 PolarHBondContact O-N 3.23Å; E885-Q888 PolarHBondContact O-N 3.26Å; E885-G889 PolarHBondContact O-N 2.9Å; E885-G889 VanDerWaalsContact O-N 3.11Å |
| 886 | A | 90.5 | Very high | 89 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L767 T770 Q882 S883 R884 Q888 G889 L890 | L767-A886 HydrophobicContact CD2-CB 4.15Å; T770-A886 WeakPolarHBondContact OG1-CB 3.22Å; Q882-A886 WeakPolarHBondContact O-CB 3.41Å; Q882-A886 PolarHBondContact O-N 3.18Å; S883-A886 WeakPolarHBondContact O-CB 3.29Å; S883-A886 PolarHBondContact O-N 3.41Å; R884-A886 VanDerWaalsContact C-N 3.27Å; R884-A886 PolarHBondContact O-N 2.94Å; A886-Q888 VanDerWaalsContact C-N 3.25Å; A886-Q888 PolarHBondContact O-N 3.46Å; A886-G889 PolarHBondContact O-N 3.14Å; A886-L890 WeakPolarHBondContact O-CB 3.48Å; A886-L890 WeakPolarHBondContact O-CG 3.47Å; A886-L890 PolarHBondContact O-N 3.46Å |
| 887 | A | 92.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.5 | -36.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L767 L872 R875 S883 R884 L891 | L767-A887 HydrophobicContact CD2-CB 3.72Å; L872-A887 HydrophobicContact CD2-CB 4.46Å; R875-A887 VanDerWaalsContact C-CB 3.5Å; R875-A887 HydrophobicContact CB-CB 3.57Å; S883-A887 WeakPolarHBondContact O-CB 3.31Å; S883-A887 PolarHBondContact O-N 3.38Å; R884-A887 CarbonylContact O-C 3.54Å; R884-A887 WeakPolarHBondContact O-CA 3.44Å; R884-A887 WeakPolarHBondContact O-CB 3.28Å; R884-A887 PolarHBondContact O-N 3.11Å; A887-L891 WeakPolarHBondContact O-CB 3.33Å; A887-L891 PolarHBondContact O-N 3.38Å |
| 888 | Q | 93 | Very high | 88.3 | Confident | 24 Ų | 24 | 33.6 Ų | 33.6 | 11% | 0.112 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -50.7 | 176 | -63.9 | -166.3 | -14 | 0 | 0 | 112.2 | W876 R884 E885 A886 I892 D1078 | W876-Q888 HydrophobicContact CD2-CB 4.45Å; W876-Q888 HydrophobicContact CD2-CG 3.61Å; W876-Q888 VanDerWaalsContact CE2-NE2 3.34Å; W876-Q888 HydrophobicContact CE3-CB 4.11Å; W876-Q888 HydrophobicContact CE3-CG 3.77Å; W876-Q888 HydrophobicContact CG-CG 4.27Å; W876-Q888 HydrophobicContact CH2-CB 3.82Å; W876-Q888 HydrophobicContact CH2-CG 3.75Å; W876-Q888 HydrophobicContact CZ2-CB 4.15Å; W876-Q888 HydrophobicContact CZ2-CG 3.56Å; W876-Q888 HydrophobicContact CZ3-CB 3.83Å; W876-Q888 HydrophobicContact CZ3-CG 3.87Å; W876-Q888 VanDerWaalsContact NE1-NE2 3.17Å; R884-Q888 HydrophobicContact CG-CG 4.5Å; R884-Q888 VanDerWaalsContact O-CG 3.28Å; R884-Q888 WeakPolarHBondContact O-CG 3.49Å; R884-Q888 PolarHBondContact O-N 2.95Å; E885-Q888 PolarHBondContact O-N 3.26Å; A886-Q888 VanDerWaalsContact C-N 3.25Å; A886-Q888 PolarHBondContact O-N 3.46Å; Q888-I892 WeakPolarHBondContact O-CB 3.31Å; Q888-I892 WeakPolarHBondContact O-CD1 3.33Å; Q888-I892 VanDerWaalsContact O-CG1 3.26Å; Q888-I892 WeakPolarHBondContact O-CG1 3.35Å; Q888-I892 PolarHBondContact O-N 2.96Å; Q888-I892 VanDerWaalsContact O-N 3.15Å; Q888-D1078 PolarHBondContact NE2-OD2 3.35Å |
| 889 | G | 89.5 | Confident | 88.2 | Confident | 24 Ų | 24 | 34.3 Ų | 34.3 | 25% | 0.247 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.7 | -49.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E885 A886 A893 | E885-G889 PolarHBondContact O-N 2.9Å; E885-G889 VanDerWaalsContact O-N 3.11Å; A886-G889 PolarHBondContact O-N 3.14Å; G889-A893 WeakPolarHBondContact O-CB 3.43Å; G889-A893 PolarHBondContact O-N 3.23Å |
| 890 | L | 90.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.7 | -41.3 | -177.7 | -68.6 | 171.1 | 0 | 0 | 0 | 112.8 | L766 L767 E852 L867 L872 A886 A893 E894 | L766-L890 HydrophobicContact CB-CD1 3.76Å; L766-L890 HydrophobicContact CB-CD2 4.07Å; L766-L890 HydrophobicContact CD1-CD2 4.15Å; L767-L890 HydrophobicContact CD2-CD1 3.98Å; L767-L890 HydrophobicContact CG-CD1 4.03Å; E852-L890 HydrophobicContact CG-CD2 4.3Å; L867-L890 HydrophobicContact CD1-CB 4.3Å; L867-L890 HydrophobicContact CD1-CD2 4.24Å; L872-L890 HydrophobicContact CD1-CB 4.18Å; L872-L890 HydrophobicContact CD2-CB 3.74Å; L872-L890 HydrophobicContact CD2-CD1 4.19Å; A886-L890 WeakPolarHBondContact O-CB 3.48Å; A886-L890 WeakPolarHBondContact O-CG 3.47Å; A886-L890 PolarHBondContact O-N 3.46Å; L890-A893 PolarHBondContact O-N 3.26Å; L890-E894 WeakPolarHBondContact O-CB 3.34Å; L890-E894 PolarHBondContact O-N 3.03Å |
| 891 | L | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.2 | -43.5 | 178.8 | -177.6 | 56.3 | 0 | 0 | 0 | 111.6 | V869 L872 A873 W876 A887 A893 E894 L895 L994 V997 | V869-L891 HydrophobicContact CB-CD1 4.46Å; V869-L891 HydrophobicContact CG1-CD1 3.77Å; L872-L891 HydrophobicContact CB-CB 4.06Å; L872-L891 HydrophobicContact CB-CD1 4.11Å; L872-L891 HydrophobicContact CB-CG 4.48Å; L872-L891 HydrophobicContact CD1-CB 4.33Å; L872-L891 HydrophobicContact CD1-CD1 4.42Å; A873-L891 HydrophobicContact CB-CD2 4.45Å; W876-L891 HydrophobicContact CE3-CB 4.17Å; W876-L891 HydrophobicContact CE3-CD2 3.62Å; W876-L891 HydrophobicContact CE3-CG 4.42Å; W876-L891 HydrophobicContact CZ3-CB 4.07Å; W876-L891 HydrophobicContact CZ3-CD2 3.91Å; W876-L891 HydrophobicContact CZ3-CG 4.34Å; A887-L891 WeakPolarHBondContact O-CB 3.33Å; A887-L891 PolarHBondContact O-N 3.38Å; L891-A893 VanDerWaalsContact C-N 3.33Å; L891-A893 PolarHBondContact O-N 3.11Å; L891-E894 PolarHBondContact O-N 3.37Å; L891-L895 HydrophobicContact CD1-CD1 4.05Å; L891-L895 HydrophobicContact CD1-CG 4.06Å; L891-L895 HydrophobicContact CG-CD1 3.95Å; L891-L895 HydrophobicContact CG-CG 4.4Å; L891-L895 WeakPolarHBondContact O-CB 3.46Å; L891-L895 VanDerWaalsContact O-CG 3.24Å; L891-L895 WeakPolarHBondContact O-CG 3.43Å; L891-L895 PolarHBondContact O-N 3.19Å; L891-L994 HydrophobicContact CD1-CD1 4.17Å; L891-V997 HydrophobicContact CD2-CB 4.31Å; L891-V997 HydrophobicContact CD2-CG1 4.17Å; L891-V997 HydrophobicContact CD2-CG2 3.97Å; L891-V997 HydrophobicContact CG-CG1 4.35Å |
| 892 | I | 91.3 | Very high | 88 | Confident | 49 Ų | 49 | 29.8 Ų | 29.8 | 25% | 0.251 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 176.4 | -67.6 | 169 | 0 | 0 | 0 | 110.2 | W876 Q888 N896 V997 F1002 | W876-I892 HydrophobicContact CH2-CD1 4.01Å; W876-I892 HydrophobicContact CH2-CG1 4.17Å; W876-I892 HydrophobicContact CZ3-CD1 4.48Å; W876-I892 HydrophobicContact CZ3-CG1 4.23Å; Q888-I892 WeakPolarHBondContact O-CB 3.31Å; Q888-I892 WeakPolarHBondContact O-CD1 3.33Å; Q888-I892 VanDerWaalsContact O-CG1 3.26Å; Q888-I892 WeakPolarHBondContact O-CG1 3.35Å; Q888-I892 PolarHBondContact O-N 2.96Å; Q888-I892 VanDerWaalsContact O-N 3.15Å; I892-N896 WeakPolarHBondContact O-CB 3.42Å; I892-N896 PolarHBondContact O-N 2.96Å; I892-N896 PolarHBondContact O-ND2 3.25Å; I892-V997 HydrophobicContact CG1-CG1 4.4Å; I892-F1002 HydrophobicContact CG2-CZ 4.39Å |
| 893 | A | 86.6 | Confident | 88 | Confident | 24 Ų | 24 | 28.6 Ų | 28.6 | 20% | 0.198 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | G889 L890 L891 N896 R897 | G889-A893 WeakPolarHBondContact O-CB 3.43Å; G889-A893 PolarHBondContact O-N 3.23Å; L890-A893 PolarHBondContact O-N 3.26Å; L891-A893 VanDerWaalsContact C-N 3.33Å; L891-A893 PolarHBondContact O-N 3.11Å; A893-N896 WeakPolarHBondContact O-CB 3.41Å; A893-N896 PolarHBondContact O-N 3.45Å; A893-R897 PolarHBondContact O-N 2.99Å |
| 894 | E | 87.8 | Confident | 87.7 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.6 | -42.2 | 178.7 | -177.1 | 60.7 | -171.2 | 0 | 0 | 112.2 | G866 L867 V869 L890 L891 N896 R897 L898 | G866-E894 WeakPolarHBondContact CA-OE1 3.19Å; L867-E894 HydrophobicContact CB-CB 4.36Å; L867-E894 HydrophobicContact CB-CG 4.02Å; L867-E894 HydrophobicContact CD1-CB 4.43Å; L867-E894 VanDerWaalsContact N-CD 3.34Å; L867-E894 PolarHBondContact N-OE1 3.03Å; L867-E894 VanDerWaalsContact N-OE1 3.13Å; V869-E894 HydrophobicContact CG2-CG 3.99Å; L890-E894 WeakPolarHBondContact O-CB 3.34Å; L890-E894 PolarHBondContact O-N 3.03Å; L891-E894 PolarHBondContact O-N 3.37Å; E894-N896 VanDerWaalsContact C-N 3.28Å; E894-N896 PolarHBondContact O-N 3.42Å; E894-R897 WeakPolarHBondContact O-CB 3.26Å; E894-R897 PolarHBondContact O-N 2.91Å; E894-R897 VanDerWaalsContact O-N 3.13Å; E894-R897 IonicContact OE1-CZ 3.83Å; E894-R897 IonicContact OE1-NE 2.57Å; E894-R897 PolarHBondContact OE1-NE 2.85Å; E894-R897 IonicContact OE1-NH2 2.74Å; E894-R897 PolarHBondContact OE1-NH2 2.81Å; E894-R897 IonicContact OE2-CZ 3.93Å; E894-R897 IonicContact OE2-NE 2.77Å; E894-R897 PolarHBondContact OE2-NE 2.8Å; E894-R897 IonicContact OE2-NH2 3.22Å; E894-L898 WeakPolarHBondContact O-CG 3.47Å; E894-L898 PolarHBondContact O-N 2.99Å |
| 895 | L | 90.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -32.8 | 175.1 | -70.8 | 172.3 | 0 | 0 | 0 | 112.3 | L891 L898 R903 L906 L994 V997 I998 F1002 | L891-L895 HydrophobicContact CD1-CD1 4.05Å; L891-L895 HydrophobicContact CD1-CG 4.06Å; L891-L895 HydrophobicContact CG-CD1 3.95Å; L891-L895 HydrophobicContact CG-CG 4.4Å; L891-L895 WeakPolarHBondContact O-CB 3.46Å; L891-L895 VanDerWaalsContact O-CG 3.24Å; L891-L895 WeakPolarHBondContact O-CG 3.43Å; L891-L895 PolarHBondContact O-N 3.19Å; L895-L898 HydrophobicContact CD2-CD1 4.44Å; L895-R903 HydrophobicContact CB-CG 4.46Å; L895-R903 HydrophobicContact CD2-CG 4.11Å; L895-R903 WeakPolarHBondContact O-CD 3.38Å; L895-R903 PolarHBondContact O-NH1 2.88Å; L895-L906 HydrophobicContact CD2-CD1 3.62Å; L895-L994 HydrophobicContact CD2-CD1 4.38Å; L895-V997 HydrophobicContact CD1-CB 4.38Å; L895-V997 HydrophobicContact CD1-CG1 3.59Å; L895-I998 HydrophobicContact CD1-CG1 4Å; L895-I998 HydrophobicContact CD2-CD1 4.16Å; L895-I998 HydrophobicContact CD2-CG1 4.02Å; L895-F1002 HydrophobicContact CB-CD2 4.4Å; L895-F1002 HydrophobicContact CB-CE2 3.55Å; L895-F1002 HydrophobicContact CB-CZ 3.66Å; L895-F1002 HydrophobicContact CD1-CE2 3.94Å; L895-F1002 HydrophobicContact CG-CE2 4.41Å |
| 896 | N | 87.1 | Confident | 87.2 | Confident | 90 Ų | 90 | 33 Ų | 33 | 48% | 0.481 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.6 | -48.4 | 170.1 | -84.8 | -65.6 | 0 | 0 | 0 | 111 | I892 A893 E894 L898 G899 F1002 | I892-N896 WeakPolarHBondContact O-CB 3.42Å; I892-N896 PolarHBondContact O-N 2.96Å; I892-N896 PolarHBondContact O-ND2 3.25Å; A893-N896 WeakPolarHBondContact O-CB 3.41Å; A893-N896 PolarHBondContact O-N 3.45Å; E894-N896 VanDerWaalsContact C-N 3.28Å; E894-N896 PolarHBondContact O-N 3.42Å; N896-L898 VanDerWaalsContact C-N 3.32Å; N896-L898 PolarHBondContact O-N 3.47Å; N896-G899 PolarHBondContact O-N 2.83Å; N896-F1002 HydrophobicContact CB-CE1 4.42Å; N896-F1002 HydrophobicContact CB-CZ 4.49Å; N896-F1002 VanDerWaalsContact OD1-CE1 3.26Å; N896-F1002 WeakPolarHBondContact OD1-CE1 3.32Å |
| 897 | R | 84.5 | Confident | 87 | Confident | 56 Ų | 56 | 33.1 Ų | 33.1 | 21% | 0.211 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.8 | -38.6 | -179.9 | -168 | -163.3 | 68.6 | 74.3 | 0.6 | 112.9 | E857 G866 A893 E894 G899 | E857-R897 HydrophobicContact CG-CG 4.25Å; G866-R897 VanDerWaalsContact CA-NH2 3.32Å; A893-R897 PolarHBondContact O-N 2.99Å; E894-R897 WeakPolarHBondContact O-CB 3.26Å; E894-R897 PolarHBondContact O-N 2.91Å; E894-R897 VanDerWaalsContact O-N 3.13Å; E894-R897 IonicContact OE1-CZ 3.83Å; E894-R897 IonicContact OE1-NE 2.57Å; E894-R897 PolarHBondContact OE1-NE 2.85Å; E894-R897 IonicContact OE1-NH2 2.74Å; E894-R897 PolarHBondContact OE1-NH2 2.81Å; E894-R897 IonicContact OE2-CZ 3.93Å; E894-R897 IonicContact OE2-NE 2.77Å; E894-R897 PolarHBondContact OE2-NE 2.8Å; E894-R897 IonicContact OE2-NH2 3.22Å; R897-G899 PolarHBondContact O-N 2.81Å |
| 898 | L | 84.5 | Confident | 86.3 | Confident | 50 Ų | 50 | 37.4 Ų | 37.4 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -17.6 | 177.2 | -72.7 | 175.9 | 0 | 0 | 0 | 113.6 | V869 E894 L895 N896 G902 L906 | V869-L898 HydrophobicContact CG2-CD1 4.46Å; E894-L898 WeakPolarHBondContact O-CG 3.47Å; E894-L898 PolarHBondContact O-N 2.99Å; L895-L898 HydrophobicContact CD2-CD1 4.44Å; N896-L898 VanDerWaalsContact C-N 3.32Å; N896-L898 PolarHBondContact O-N 3.47Å; L898-G902 PolarHBondContact O-N 2.8Å; L898-L906 HydrophobicContact CD1-CD1 3.65Å |
| 899 | G | 84.5 | Confident | 85.9 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | 64.1 | -173.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N896 R897 R903 | N896-G899 PolarHBondContact O-N 2.83Å; R897-G899 PolarHBondContact O-N 2.81Å; G899-R903 VanDerWaalsContact C-CZ 3.5Å; G899-R903 WeakPolarHBondContact O-CG 3.24Å; G899-R903 VanDerWaalsContact O-CZ 3.31Å; G899-R903 PolarHBondContact O-N 3.1Å; G899-R903 PolarHBondContact O-NE 3.39Å; G899-R903 PolarHBondContact O-NH1 2.91Å |
| 900 | S | 82.7 | Confident | 85.9 | Confident | 54 Ų | 54 | 40.7 Ų | 40.7 | 38% | 0.378 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.1 | -45.5 | -179.1 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | G902 R903 E904 | S900-G902 PolarHBondContact O-N 2.87Å; S900-R903 PolarHBondContact O-N 3.17Å; S900-E904 WeakPolarHBondContact O-CG 3.47Å; S900-E904 PolarHBondContact O-N 3.45Å |
| 901 | S | 79.8 | Confident | 85.7 | Confident | 86 Ų | 86 | 41.1 Ų | 41.1 | 60% | 0.601 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.4 | -44.7 | -177.8 | -171.6 | 0 | 0 | 0 | 0 | 112.7 | R903 E904 E905 | S901-R903 VanDerWaalsContact C-N 3.34Å; S901-E904 PolarHBondContact O-N 2.99Å; S901-E905 PolarHBondContact O-N 3.44Å; S901-E905 VanDerWaalsContact O-N 3.08Å |
| 902 | G | 83.7 | Confident | 85.3 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70 | -31.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L898 S900 E905 L906 | L898-G902 PolarHBondContact O-N 2.8Å; S900-G902 PolarHBondContact O-N 2.87Å; G902-E905 PolarHBondContact O-N 2.97Å; G902-L906 WeakPolarHBondContact O-CG 3.3Å; G902-L906 PolarHBondContact O-N 2.83Å |
| 903 | R | 87.3 | Confident | 85 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.7 | -39.5 | 172.3 | -67.7 | -174.6 | -59.9 | -102.1 | 10 | 112 | L895 G899 S900 S901 E905 L906 V907 F1002 D1005 | L895-R903 HydrophobicContact CB-CG 4.46Å; L895-R903 HydrophobicContact CD2-CG 4.11Å; L895-R903 WeakPolarHBondContact O-CD 3.38Å; L895-R903 PolarHBondContact O-NH1 2.88Å; G899-R903 VanDerWaalsContact C-CZ 3.5Å; G899-R903 WeakPolarHBondContact O-CG 3.24Å; G899-R903 VanDerWaalsContact O-CZ 3.31Å; G899-R903 PolarHBondContact O-N 3.1Å; G899-R903 PolarHBondContact O-NE 3.39Å; G899-R903 PolarHBondContact O-NH1 2.91Å; S900-R903 PolarHBondContact O-N 3.17Å; S901-R903 VanDerWaalsContact C-N 3.34Å; R903-E905 VanDerWaalsContact C-N 3.31Å; R903-E905 PolarHBondContact O-N 3.02Å; R903-L906 PolarHBondContact O-N 2.87Å; R903-V907 VanDerWaalsContact O-CG2 3.3Å; R903-V907 WeakPolarHBondContact O-CG2 3.35Å; R903-V907 PolarHBondContact O-N 3.35Å; R903-F1002 VanDerWaalsContact CZ-CD1 3.44Å; R903-D1005 IonicContact CZ-OD2 3.98Å; R903-D1005 IonicContact NH2-OD2 3.53Å; R903-D1005 PolarHBondContact NH2-OD2 2.89Å |
| 904 | E | 81.7 | Confident | 85.1 | Confident | 35 Ų | 35 | 43.6 Ų | 43.6 | 16% | 0.164 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 173.5 | -72.9 | 175.1 | -164.3 | 0 | 0 | 111.7 | S900 S901 V907 Q908 L1006 V1043 | S900-E904 WeakPolarHBondContact O-CG 3.47Å; S900-E904 PolarHBondContact O-N 3.45Å; S901-E904 PolarHBondContact O-N 2.99Å; E904-V907 PolarHBondContact O-N 3.03Å; E904-Q908 WeakPolarHBondContact O-CG 3.44Å; E904-Q908 PolarHBondContact O-N 3.29Å; E904-L1006 HydrophobicContact CG-CD2 4Å; E904-V1043 HydrophobicContact CG-CG2 4.31Å |
| 905 | E | 83 | Confident | 84.9 | Confident | 129 Ų | 129 | 43.5 Ų | 43.5 | 60% | 0.603 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.4 | -43 | 174.8 | -171.8 | -178.9 | 175 | 0 | 0 | 112.1 | S901 G902 R903 V907 Q908 K909 | S901-E905 PolarHBondContact O-N 3.44Å; S901-E905 VanDerWaalsContact O-N 3.08Å; G902-E905 PolarHBondContact O-N 2.97Å; R903-E905 VanDerWaalsContact C-N 3.31Å; R903-E905 PolarHBondContact O-N 3.02Å; E905-V907 VanDerWaalsContact C-N 3.34Å; E905-V907 PolarHBondContact O-N 3.01Å; E905-Q908 PolarHBondContact O-N 3.43Å; E905-K909 WeakPolarHBondContact O-CB 3.35Å; E905-K909 PolarHBondContact O-N 2.97Å |
| 906 | L | 87 | Confident | 84.6 | Confident | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.12 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 174.6 | -72.9 | 174.9 | 0 | 0 | 0 | 112.1 | V869 L895 L898 G902 R903 K909 W910 I998 | V869-L906 HydrophobicContact CG1-CD1 4.12Å; L895-L906 HydrophobicContact CD2-CD1 3.62Å; L898-L906 HydrophobicContact CD1-CD1 3.65Å; G902-L906 WeakPolarHBondContact O-CG 3.3Å; G902-L906 PolarHBondContact O-N 2.83Å; R903-L906 PolarHBondContact O-N 2.87Å; L906-K909 PolarHBondContact O-N 3.25Å; L906-W910 WeakPolarHBondContact O-CB 3.41Å; L906-W910 PolarHBondContact O-N 3.3Å; L906-I998 HydrophobicContact CB-CD1 4.17Å |
| 907 | V | 85.5 | Confident | 84.2 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | R903 E904 E905 K909 W910 A911 L995 I998 V1043 I1046 | R903-V907 VanDerWaalsContact O-CG2 3.3Å; R903-V907 WeakPolarHBondContact O-CG2 3.35Å; R903-V907 PolarHBondContact O-N 3.35Å; E904-V907 PolarHBondContact O-N 3.03Å; E905-V907 VanDerWaalsContact C-N 3.34Å; E905-V907 PolarHBondContact O-N 3.01Å; V907-K909 VanDerWaalsContact C-N 3.35Å; V907-K909 PolarHBondContact O-N 3.33Å; V907-W910 PolarHBondContact O-N 3.09Å; V907-A911 WeakPolarHBondContact O-CB 3.42Å; V907-A911 PolarHBondContact O-N 2.84Å; V907-L995 HydrophobicContact CB-CD2 4.27Å; V907-L995 HydrophobicContact CG2-CD2 3.92Å; V907-I998 HydrophobicContact CG2-CD1 4.09Å; V907-I998 HydrophobicContact CG2-CG2 4.11Å; V907-V1043 HydrophobicContact CG1-CG2 4.42Å; V907-I1046 HydrophobicContact CG1-CD1 3.59Å; V907-I1046 HydrophobicContact CG1-CG2 4.21Å |
| 908 | Q | 79.3 | Confident | 83.9 | Confident | 90 Ų | 90 | 44.8 Ų | 44.8 | 42% | 0.421 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 177.1 | -70.6 | 173.8 | 22 | 0 | 0 | 112.5 | E904 E905 P912 V1039 | E904-Q908 WeakPolarHBondContact O-CG 3.44Å; E904-Q908 PolarHBondContact O-N 3.29Å; E905-Q908 PolarHBondContact O-N 3.43Å; Q908-P912 WeakPolarHBondContact O-CD 3.4Å; Q908-V1039 VanDerWaalsContact NE2-CG1 3.25Å |
| 909 | K | 84 | Confident | 83.3 | Confident | 110 Ų | 110 | 47.2 Ų | 47.2 | 48% | 0.478 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 179.9 | -179 | -179.8 | 167.8 | -169.7 | 0 | 112.2 | E870 E905 L906 V907 F913 | E870-K909 IonicContact OE1-NZ 3.08Å; E870-K909 PolarHBondContact OE1-NZ 3.3Å; E905-K909 WeakPolarHBondContact O-CB 3.35Å; E905-K909 PolarHBondContact O-N 2.97Å; L906-K909 PolarHBondContact O-N 3.25Å; V907-K909 VanDerWaalsContact C-N 3.35Å; V907-K909 PolarHBondContact O-N 3.33Å; K909-F913 WeakPolarHBondContact O-CE2 3.41Å |
| 910 | W | 89.5 | Confident | 82.7 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -100.1 | -22.5 | -168.2 | -75.7 | 101.8 | 0 | 0 | 0 | 115.5 | E870 L906 V907 P912 F913 K987 I990 A991 L994 L995 | E870-W910 HydrophobicContact CB-CZ2 4.4Å; E870-W910 VanDerWaalsContact CD-CZ2 3.44Å; E870-W910 HydrophobicContact CG-CH2 4.48Å; E870-W910 HydrophobicContact CG-CZ2 3.65Å; E870-W910 WeakPolarHBondContact OE1-CZ2 3.49Å; L906-W910 WeakPolarHBondContact O-CB 3.41Å; L906-W910 PolarHBondContact O-N 3.3Å; V907-W910 PolarHBondContact O-N 3.09Å; W910-P912 VanDerWaalsContact C-CD 3.41Å; W910-P912 VanDerWaalsContact C-N 3.35Å; W910-F913 HydrophobicContact CE3-CB 4.4Å; W910-F913 AromaticContact CE3-CD2 3.84Å; W910-F913 HydrophobicContact CE3-CD2 3.84Å; W910-F913 HydrophobicContact CE3-CG 4.42Å; W910-F913 HydrophobicContact CZ3-CD2 4.26Å; W910-F913 PolarHBondContact O-N 3.2Å; W910-K987 HydrophobicContact CZ3-CB 4.15Å; W910-K987 HydrophobicContact CZ3-CG 4.27Å; W910-I990 HydrophobicContact CD2-CG2 4.43Å; W910-I990 HydrophobicContact CE3-CG2 4.19Å; W910-I990 HydrophobicContact CH2-CB 4.05Å; W910-I990 HydrophobicContact CH2-CD1 4.36Å; W910-I990 HydrophobicContact CH2-CG2 3.51Å; W910-I990 HydrophobicContact CZ2-CG2 3.8Å; W910-I990 HydrophobicContact CZ3-CB 3.96Å; W910-I990 HydrophobicContact CZ3-CG2 3.73Å; W910-A991 HydrophobicContact CB-CB 4.45Å; W910-A991 HydrophobicContact CE3-CB 3.86Å; W910-L994 VanDerWaalsContact CD1-CD2 3.41Å; W910-L994 HydrophobicContact CD2-CD2 4.35Å; W910-L994 HydrophobicContact CG-CD2 3.9Å; W910-L995 HydrophobicContact CB-CD1 4.3Å; W910-L995 HydrophobicContact CB-CD2 4.14Å; W910-L995 HydrophobicContact CB-CG 4.25Å |
| 911 | A | 85.9 | Confident | 82.3 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -55.7 | -38 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V907 F913 L914 L995 I1046 | V907-A911 WeakPolarHBondContact O-CB 3.42Å; V907-A911 PolarHBondContact O-N 2.84Å; A911-F913 PolarHBondContact O-N 3.25Å; A911-F913 VanDerWaalsContact O-N 3.11Å; A911-L914 WeakPolarHBondContact O-CB 3.23Å; A911-L914 PolarHBondContact O-N 3.3Å; A911-L914 VanDerWaalsContact O-N 3.1Å; A911-L995 HydrophobicContact CB-CD1 4.29Å; A911-I1046 HydrophobicContact CB-CD1 3.64Å; A911-I1046 HydrophobicContact CB-CG1 4.08Å; A911-I1046 HydrophobicContact CB-CG2 4.07Å |
| 912 | P | 84.6 | Confident | 82.1 | Confident | 74 Ų | 74 | 47.8 Ų | 47.8 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -62.6 | -17.5 | 176.6 | -24.3 | 35.6 | 0 | 0 | 0 | 114.5 | Q908 W910 V918 | Q908-P912 WeakPolarHBondContact O-CD 3.4Å; W910-P912 VanDerWaalsContact C-CD 3.41Å; W910-P912 VanDerWaalsContact C-N 3.35Å; P912-V918 WeakPolarHBondContact O-CG2 3.18Å |
| 913 | F | 86.9 | Confident | 82 | Confident | 49 Ų | 49 | 48 Ų | 48 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -95.6 | 4.5 | 178.7 | -57.7 | -71.9 | 0 | 0 | 0 | 113.1 | K909 W910 A911 M984 K987 Q988 A991 | K909-F913 WeakPolarHBondContact O-CE2 3.41Å; W910-F913 HydrophobicContact CE3-CB 4.4Å; W910-F913 AromaticContact CE3-CD2 3.84Å; W910-F913 HydrophobicContact CE3-CD2 3.84Å; W910-F913 HydrophobicContact CE3-CG 4.42Å; W910-F913 HydrophobicContact CZ3-CD2 4.26Å; W910-F913 PolarHBondContact O-N 3.2Å; A911-F913 PolarHBondContact O-N 3.25Å; A911-F913 VanDerWaalsContact O-N 3.11Å; F913-M984 HydrophobicContact CD1-SD 4.38Å; F913-M984 HydrophobicContact CE1-SD 4.33Å; F913-K987 HydrophobicContact CB-CB 4.46Å; F913-K987 HydrophobicContact CD1-CB 4.1Å; F913-K987 HydrophobicContact CD1-CD 4.04Å; F913-K987 HydrophobicContact CE1-CD 3.79Å; F913-K987 HydrophobicContact CG-CB 4.29Å; F913-K987 HydrophobicContact CZ-CD 4.22Å; F913-Q988 WeakPolarHBondContact O-CA 3.14Å; F913-Q988 WeakPolarHBondContact O-CG 3.49Å; F913-A991 HydrophobicContact CB-CB 3.83Å |
| 914 | L | 87 | Confident | 81.7 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -62.8 | 134.1 | 174.6 | -79.4 | 171.5 | 0 | 0 | 0 | 110.6 | A911 I916 V917 V918 L995 I1046 F1049 E1050 | A911-L914 WeakPolarHBondContact O-CB 3.23Å; A911-L914 PolarHBondContact O-N 3.3Å; A911-L914 VanDerWaalsContact O-N 3.1Å; L914-I916 PolarHBondContact O-N 3.38Å; L914-V917 HydrophobicContact CB-CB 4.31Å; L914-V917 HydrophobicContact CB-CG2 3.86Å; L914-V917 WeakPolarHBondContact O-CB 3.29Å; L914-V917 PolarHBondContact O-N 3.08Å; L914-V918 WeakPolarHBondContact O-CG2 3.2Å; L914-V918 PolarHBondContact O-N 3.03Å; L914-L995 HydrophobicContact CD1-CD1 3.81Å; L914-L995 HydrophobicContact CD2-CD1 3.85Å; L914-L995 HydrophobicContact CG-CD1 3.73Å; L914-I1046 HydrophobicContact CD1-CG2 4.44Å; L914-F1049 HydrophobicContact CD1-CB 4.19Å; L914-E1050 HydrophobicContact CD1-CG 4.01Å |
| 915 | P | 85.1 | Confident | 81.7 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -29.5 | -174.7 | -26 | 29.6 | 0 | 0 | 0 | 115.5 | S923 L924 F925 Q988 T992 | P915-S923 WeakPolarHBondContact O-CB 2.91Å; P915-S923 PolarHBondContact O-OG 2.79Å; P915-L924 HydrophobicContact CB-CB 4.13Å; P915-L924 HydrophobicContact CG-CB 4.36Å; P915-F925 HydrophobicContact CB-CD2 3.87Å; P915-F925 HydrophobicContact CB-CE2 3.47Å; P915-F925 VanDerWaalsContact CB-CE2 3.47Å; P915-F925 HydrophobicContact CB-CZ 3.96Å; P915-F925 HydrophobicContact CG-CE2 4.27Å; P915-F925 HydrophobicContact CG-CZ 4.35Å; P915-Q988 HydrophobicContact CG-CB 4.14Å; P915-Q988 HydrophobicContact CG-CG 4.44Å; P915-T992 WeakPolarHBondContact CD-OG1 3.4Å; P915-T992 WeakPolarHBondContact CG-OG1 3.49Å |
| 916 | I | 83.3 | Confident | 81 | Confident | 66 Ų | 66 | 42 Ų | 42 | 34% | 0.338 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -20.8 | 179.1 | -159.2 | 164.8 | 0 | 0 | 0 | 113.5 | L914 F1049 Q1052 S1053 | L914-I916 PolarHBondContact O-N 3.38Å; I916-F1049 HydrophobicContact CG2-CB 4Å; I916-F1049 HydrophobicContact CG2-CD1 3.86Å; I916-F1049 HydrophobicContact CG2-CG 4.41Å; I916-Q1052 HydrophobicContact CD1-CB 3.72Å; I916-Q1052 VanDerWaalsContact CD1-OE1 3.3Å; I916-S1053 VanDerWaalsContact CG2-OG 3.27Å; I916-S1053 WeakPolarHBondContact CG2-OG 3.26Å |
| 917 | V | 78.5 | Confident | 79.6 | Confident | 76 Ų | 76 | 45.8 Ų | 45.8 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -33.8 | -179.3 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | L914 F1049 | L914-V917 HydrophobicContact CB-CB 4.31Å; L914-V917 HydrophobicContact CB-CG2 3.86Å; L914-V917 WeakPolarHBondContact O-CB 3.29Å; L914-V917 PolarHBondContact O-N 3.08Å; V917-F1049 HydrophobicContact CG2-CB 4.39Å; V917-F1049 HydrophobicContact CG2-CD1 4.39Å; V917-F1049 HydrophobicContact CG2-CG 4.41Å |
| 918 | V | 78.5 | Confident | 77.9 | Confident | 32 Ų | 32 | 48 Ų | 48 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -73.1 | 150.7 | -179.2 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | P912 L914 S920 V922 Q988 | P912-V918 WeakPolarHBondContact O-CG2 3.18Å; L914-V918 WeakPolarHBondContact O-CG2 3.2Å; L914-V918 PolarHBondContact O-N 3.03Å; V918-S920 PolarHBondContact O-N 3.46Å; V918-V922 HydrophobicContact CG1-CG2 3.3Å; V918-Q988 HydrophobicContact CG2-CG 4.41Å |
| 919 | D | 71.5 | Confident | 76.1 | Confident | 100 Ų | 100 | 49.7 Ų | 49.7 | 54% | 0.535 | 29% | 0.289 | S | S | . | . | trans | -48.8 | 134.1 | 174.7 | -170.8 | -48.1 | 0 | 0 | 0 | 112.3 | S921 V922 S923 | D919-S921 VanDerWaalsContact CG-OG 3.32Å; D919-S921 PolarHBondContact O-N 3.34Å; D919-S921 WeakPolarHBondContact OD1-CB 3.22Å; D919-S921 PolarHBondContact OD1-N 2.81Å; D919-S921 PolarHBondContact OD1-OG 3.32Å; D919-V922 HydrophobicContact CB-CG2 4.5Å; D919-V922 PolarHBondContact O-N 3.02Å; D919-S923 PolarHBondContact O-N 3.21Å | ||
| 920 | S | 73.1 | Confident | 73.9 | Confident | 81 Ų | 81 | 52 Ų | 52 | 57% | 0.566 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -28.9 | 178 | 64.3 | 0 | 0 | 0 | 0 | 115.1 | V918 G926 | V918-S920 PolarHBondContact O-N 3.46Å; S920-G926 WeakPolarHBondContact O-CA 3.43Å |
| 921 | S | 74 | Confident | 71 | Confident | 54 Ų | 54 | 56.4 Ų | 56.4 | 38% | 0.378 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -28.4 | -179.5 | 56 | 0 | 0 | 0 | 0 | 113.9 | D919 L929 | D919-S921 VanDerWaalsContact CG-OG 3.32Å; D919-S921 PolarHBondContact O-N 3.34Å; D919-S921 WeakPolarHBondContact OD1-CB 3.22Å; D919-S921 PolarHBondContact OD1-N 2.81Å; D919-S921 PolarHBondContact OD1-OG 3.32Å; S921-L929 WeakPolarHBondContact O-CD1 3.18Å |
| 922 | V | 75.6 | Confident | 68.1 | Low | 44 Ų | 44 | 60.6 Ų | 60.6 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -6.7 | 179.5 | -59.4 | 0 | 0 | 0 | 0 | 112.9 | V918 D919 L981 Q988 | V918-V922 HydrophobicContact CG1-CG2 3.3Å; D919-V922 HydrophobicContact CB-CG2 4.5Å; D919-V922 PolarHBondContact O-N 3.02Å; V922-L981 HydrophobicContact CB-CD1 3.98Å; V922-L981 HydrophobicContact CG1-CD1 3.97Å; V922-Q988 PolarHBondContact O-NE2 3.33Å |
| 923 | S | 81.5 | Confident | 65.3 | Low | 16 Ų | 16 | 66.1 Ų | 66.1 | 11% | 0.112 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -58.5 | 145.3 | 176.6 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | P915 D919 F925 G926 | P915-S923 WeakPolarHBondContact O-CB 2.91Å; P915-S923 PolarHBondContact O-OG 2.79Å; D919-S923 PolarHBondContact O-N 3.21Å; S923-F925 PolarHBondContact O-N 2.74Å; S923-F925 PolarHBondContact OG-N 2.83Å; S923-G926 PolarHBondContact O-N 3.47Å |
| 924 | L | 80.4 | Confident | 62.3 | Low | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27.1 | 170.7 | -167.1 | 75.3 | 0 | 0 | 0 | 112.7 | P915 A1065 L1066 L1072 | P915-L924 HydrophobicContact CB-CB 4.13Å; P915-L924 HydrophobicContact CG-CB 4.36Å; L924-A1065 HydrophobicContact CD1-CB 4.18Å; L924-L1066 HydrophobicContact CD2-CD1 4.21Å; L924-L1072 HydrophobicContact CD2-CD2 3.36Å |
| 925 | F | 80.9 | Confident | 59.2 | Low | 32 Ų | 32 | 73.5 Ų | 73.5 | 14% | 0.14 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 1.6 | 177.7 | -47.2 | -47.8 | 0 | 0 | 0 | 113.1 | P915 S923 E1056 C1057 H1060 L1066 | P915-F925 HydrophobicContact CB-CD2 3.87Å; P915-F925 HydrophobicContact CB-CE2 3.47Å; P915-F925 VanDerWaalsContact CB-CE2 3.47Å; P915-F925 HydrophobicContact CB-CZ 3.96Å; P915-F925 HydrophobicContact CG-CE2 4.27Å; P915-F925 HydrophobicContact CG-CZ 4.35Å; S923-F925 PolarHBondContact O-N 2.74Å; S923-F925 PolarHBondContact OG-N 2.83Å; F925-E1056 HydrophobicContact CD1-CG 4.06Å; F925-E1056 HydrophobicContact CD2-CB 4.27Å; F925-E1056 HydrophobicContact CD2-CG 3.81Å; F925-E1056 HydrophobicContact CE1-CB 4.15Å; F925-E1056 HydrophobicContact CE1-CG 4.08Å; F925-E1056 HydrophobicContact CE2-CB 3.71Å; F925-E1056 HydrophobicContact CE2-CG 3.78Å; F925-E1056 HydrophobicContact CG-CG 3.95Å; F925-E1056 HydrophobicContact CZ-CB 3.67Å; F925-E1056 HydrophobicContact CZ-CG 3.94Å; F925-C1057 HydrophobicContact CE1-CB 4.46Å; F925-C1057 VanDerWaalsContact CZ-SG 3.56Å; F925-H1060 HydrophobicContact CD1-CB 4.42Å; F925-H1060 AromaticContact CD1-CD2 4Å; F925-L1066 HydrophobicContact CE1-CD2 4.2Å |
| 926 | G | 68.6 | Low | 56.2 | Low | 11 Ų | 11 | 79.6 Ų | 79.6 | 11% | 0.113 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -65.1 | 158.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S920 S923 S928 | S920-G926 WeakPolarHBondContact O-CA 3.43Å; S923-G926 PolarHBondContact O-N 3.47Å; G926-S928 PolarHBondContact O-N 2.9Å |
| 927 | P | 58.4 | Low | 53.3 | Low | 101 Ų | 101 | 82.5 Ų | 82.5 | 66% | 0.656 | 50% | 0.496 | S | S | * | . | trans | -59.1 | 132.9 | 169.9 | 25.2 | -31.2 | 0 | 0 | 0 | 109.4 | L929 | P927-L929 PolarHBondContact O-N 3.21Š| ||
| 928 | S | 48.9 | Very low | 50.7 | Low | 51 Ų | 51 | 84.3 Ų | 84.3 | 36% | 0.357 | 51% | 0.511 | S | S | . | . | trans | -58.8 | 104 | 177 | 43.9 | 0 | 0 | 0 | 0 | 109.8 | G926 F930 T931 | G926-S928 PolarHBondContact O-N 2.9Å; S928-F930 PolarHBondContact O-N 3.23Å; S928-T931 PolarHBondContact O-N 3Å; S928-T931 PolarHBondContact O-OG1 3.22Å; S928-T931 PolarHBondContact OG-OG1 2.82Å | ||
| 929 | L | 42.2 | Very low | 48 | Very low | 124 Ų | 124 | 86.9 Ų | 86.9 | 65% | 0.649 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -9.8 | 176.6 | -79.6 | 162 | 0 | 0 | 0 | 113.6 | S921 P927 | S921-L929 WeakPolarHBondContact O-CD1 3.18Å; P927-L929 PolarHBondContact O-N 3.21Å |
| 930 | F | 38 | Very low | 45.8 | Very low | 159 Ų | 159 | 88.7 Ų | 88.7 | 70% | 0.697 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 2.7 | -177.7 | -66.6 | -71.9 | 0 | 0 | 0 | 115.8 | S928 S932 | S928-F930 PolarHBondContact O-N 3.23Å; F930-S932 PolarHBondContact O-N 2.92Å; F930-S932 VanDerWaalsContact O-N 3.1Å |
| 931 | T | 27.6 | Very low | 43.5 | Very low | 100 Ų | 100 | 89.3 Ų | 89.3 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | trans | -83.9 | 83.1 | 167.6 | 36.3 | 0 | 0 | 0 | 0 | 110.1 | S928 Q933 | S928-T931 PolarHBondContact O-N 3Å; S928-T931 PolarHBondContact O-OG1 3.22Å; S928-T931 PolarHBondContact OG-OG1 2.82Å; T931-Q933 PolarHBondContact O-N 3.25Å | ||
| 932 | S | 25.6 | Very low | 41 | Very low | 98 Ų | 98 | 92.4 Ų | 92.4 | 69% | 0.685 | 58% | 0.584 | S | S | * | * | trans | -65.1 | 119.1 | 165.7 | 65.7 | 0 | 0 | 0 | 0 | 110.1 | F930 A934 | F930-S932 PolarHBondContact O-N 2.92Å; F930-S932 VanDerWaalsContact O-N 3.1Å; S932-A934 PolarHBondContact O-N 2.78Å | ||
| 933 | Q | 26.3 | Very low | 38.7 | Very low | 190 Ų | 190 | 96 Ų | 96 | 89% | 0.888 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 38.6 | 17.6 | 137.7 | -70.9 | -173.9 | -19.6 | 0 | 0 | 122.1 | T931 | T931-Q933 PolarHBondContact O-N 3.25Š|
| 934 | A | 23.6 | Very low | 36.2 | Very low | 94 Ų | 94 | 102.2 Ų | 102.2 | 78% | 0.777 | 64% | 0.638 | S | S | * | * | trans | -107.3 | 49 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | S932 | S932-A934 PolarHBondContact O-N 2.78Š| ||
| 935 | C | 21.1 | Very low | 33.5 | Very low | 111 Ų | 111 | 110 Ų | 110 | 75% | 0.75 | 68% | 0.68 | S | S | * | * | trans | -162.5 | 61.9 | 163.8 | -140.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 936 | T | 23.7 | Very low | 30.9 | Very low | 129 Ų | 129 | 118 Ų | 118 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | -114.4 | 51 | 169.3 | 48.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 937 | T | 22.5 | Very low | 28.8 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -141.3 | 57 | 169.1 | 55.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 938 | C | 23.8 | Very low | 27.2 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -124.3 | 93.7 | 158.5 | -76.8 | 0 | 0 | 0 | 0 | 107.4 | V940 | C938-V940 PolarHBondContact O-N 2.92Š| ||
| 939 | G | 22 | Very low | 26.1 | Very low | 85 Ų | 85 | 139.7 Ų | 139.7 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | trans | -58.6 | 108.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 940 | V | 25.2 | Very low | 25.4 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -102.2 | 108.5 | 158.3 | -179.1 | 0 | 0 | 0 | 0 | 105.9 | C938 | C938-V940 PolarHBondContact O-N 2.92Š| ||
| 941 | S | 23.5 | Very low | 25 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 66% | 0.657 | 81% | 0.809 | S | S | * | * | trans | -48 | 138.1 | 176.2 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | V943 | S941-V943 PolarHBondContact O-N 2.9Š| ||
| 942 | S | 22 | Very low | 25.1 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -40.6 | 114.8 | 165.9 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 943 | V | 27.8 | Very low | 25 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 72% | 0.721 | 83% | 0.826 | S | S | * | * | trans | -144.4 | 133 | 153.7 | -171.6 | 0 | 0 | 0 | 0 | 107.5 | S941 | S941-V943 PolarHBondContact O-N 2.9Š| ||
| 944 | D | 28.4 | Very low | 25.2 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | trans | 81.1 | 49.2 | 171.2 | -59.3 | -23.9 | 0 | 0 | 0 | 119.6 | K946 | D944-K946 VanDerWaalsContact C-N 3.31Å; D944-K946 PolarHBondContact O-N 3.46Å | ||
| 945 | D | 24.5 | Very low | 25.3 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -84.3 | 69.5 | 157 | -150.9 | 15.8 | 0 | 0 | 0 | 109.8 | ||||
| 946 | K | 25.1 | Very low | 25.7 | Very low | 198 Ų | 198 | 145 Ų | 145 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -155.7 | 13.8 | 178.9 | -116.3 | 170.5 | -166 | -179.3 | 0 | 118.9 | D944 | D944-K946 VanDerWaalsContact C-N 3.31Å; D944-K946 PolarHBondContact O-N 3.46Å | ||
| 947 | L | 24.7 | Very low | 25.9 | Very low | 169 Ų | 169 | 145 Ų | 145 | 89% | 0.885 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -137.4 | 57.2 | 179.6 | -148.9 | 81.8 | 0 | 0 | 0 | 114.4 | ||
| 948 | R | 25.6 | Very low | 26.1 | Very low | 251 Ų | 251 | 144.2 Ų | 144.2 | 95% | 0.947 | 83% | 0.834 | S | S | * | * | trans | -164.1 | 57.2 | 157.9 | -113.2 | 172.1 | -174.8 | -167 | 1.6 | 112.5 | ||||
| 949 | K | 24.4 | Very low | 26.2 | Very low | 199 Ų | 199 | 144 Ų | 144 | 87% | 0.865 | 83% | 0.834 | S | S | * | * | trans | -119.7 | 97 | 156.8 | -75.5 | -176.5 | 179 | 178.4 | 0 | 106 | ||||
| 950 | N | 27.6 | Very low | 26.4 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 91% | 0.914 | 83% | 0.827 | S | S | * | * | trans | 156.4 | 77.5 | 159.2 | -79.5 | -10 | 0 | 0 | 0 | 110.4 | ||||
| 951 | A | 30.4 | Very low | 26.5 | Very low | 103 Ų | 103 | 148.9 Ų | 148.9 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | -149.3 | 114.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 952 | G | 28.7 | Very low | 26.6 | Very low | 69 Ų | 69 | 151.6 Ų | 151.6 | 71% | 0.711 | 84% | 0.839 | S | S | * | * | trans | -66.3 | 145 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T954 | G952-T954 PolarHBondContact O-N 2.93Š| ||
| 953 | Q | 25.3 | Very low | 26.6 | Very low | 201 Ų | 201 | 150.8 Ų | 150.8 | 94% | 0.939 | 83% | 0.833 | S | S | * | * | 19.8 | 93.3 | 127.8 | -65.3 | 176.2 | -8.7 | 0 | 0 | 115.9 | |||||
| 954 | T | 29.4 | Very low | 26.5 | Very low | 139 Ų | 139 | 153.1 Ų | 153.1 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | trans | -131 | 109 | 141.7 | 51.1 | 0 | 0 | 0 | 0 | 107.5 | G952 E956 | G952-T954 PolarHBondContact O-N 2.93Å; T954-E956 PolarHBondContact O-N 2.86Å | ||
| 955 | S | 26.5 | Very low | 26.2 | Very low | 120 Ų | 120 | 153.9 Ų | 153.9 | 84% | 0.839 | 85% | 0.845 | S | S | * | * | trans | -66 | 116.4 | 173.6 | 47.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 956 | E | 28.7 | Very low | 26.2 | Very low | 186 Ų | 186 | 155 Ų | 155 | 87% | 0.869 | 85% | 0.845 | S | S | * | * | trans | -121.6 | 137.9 | 151.6 | -87.1 | -171.3 | 164.3 | 0 | 0 | 109.1 | T954 | T954-E956 PolarHBondContact O-N 2.86Š| ||
| 957 | P | 28.7 | Very low | 26.1 | Very low | 127 Ų | 127 | 154.8 Ų | 154.8 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 135.7 | -166.2 | 31.7 | -33.4 | 0 | 0 | 0 | 111.8 | S959 | P957-S959 PolarHBondContact O-N 2.9Š|
| 958 | S | 26.7 | Very low | 26.1 | Very low | 112 Ų | 112 | 154.1 Ų | 154.1 | 78% | 0.783 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 121.9 | 168.2 | 48.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 959 | S | 24.8 | Very low | 26.1 | Very low | 109 Ų | 109 | 149.5 Ų | 149.5 | 76% | 0.762 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 120.1 | 158.8 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | P957 | P957-S959 PolarHBondContact O-N 2.9Š|
| 960 | P | 26.8 | Very low | 26.3 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -96.7 | 89.8 | -179.4 | 34.7 | -25.7 | 0 | 0 | 0 | 109.6 | ||||
| 961 | Y | 26.7 | Very low | 26.4 | Very low | 216 Ų | 216 | 142.8 Ų | 142.8 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | trans | -152.7 | 55.5 | 172 | -114.1 | -81.8 | 0 | 0 | 0 | 112 | ||||
| 962 | V | 25.4 | Very low | 26.2 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 92% | 0.915 | 82% | 0.818 | S | S | * | * | trans | -142.3 | 70 | 165.5 | -167.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 963 | S | 23.1 | Very low | 26.2 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -155.5 | 84.3 | 166.1 | 60.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 964 | N | 24.5 | Very low | 26.6 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | -171.5 | 38.7 | 159.9 | -92.6 | -16.5 | 0 | 0 | 0 | 113.3 | ||||
| 965 | L | 22.7 | Very low | 26.7 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -120 | 71.1 | 167.5 | -94.1 | 109.4 | 0 | 0 | 0 | 110.1 | ||||
| 966 | Q | 23.6 | Very low | 27.3 | Very low | 188 Ų | 188 | 137.7 Ų | 137.7 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -140.2 | 17.4 | 171.5 | -76.6 | -165 | -16.9 | 0 | 0 | 115.3 | ||||
| 967 | H | 24.1 | Very low | 28.4 | Very low | 194 Ų | 194 | 133.4 Ų | 133.4 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | trans | -134.6 | 34.5 | -178.7 | -98.9 | -71.2 | 0 | 0 | 0 | 115.8 | ||||
| 968 | L | 24.5 | Very low | 29.6 | Very low | 156 Ų | 156 | 135 Ų | 135 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -104.3 | 122 | 171 | -84 | 141.3 | 0 | 0 | 0 | 110.5 | S970 | L968-S970 PolarHBondContact O-N 2.97Š|
| 969 | D | 26.2 | Very low | 31 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | trans | -44.8 | 112.3 | -179.5 | -76.2 | -44.6 | 0 | 0 | 0 | 112.9 | N971 | D969-N971 VanDerWaalsContact C-N 3.27Å; D969-N971 PolarHBondContact O-N 3.11Å; D969-N971 VanDerWaalsContact O-N 3.16Å | ||
| 970 | S | 29 | Very low | 32.8 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -70.2 | -12 | -167.4 | 52.6 | 0 | 0 | 0 | 0 | 115.5 | L968 A974 | L968-S970 PolarHBondContact O-N 2.97Å; S970-A974 WeakPolarHBondContact O-CB 3.41Å; S970-A974 PolarHBondContact O-N 3.06Å |
| 971 | N | 28.9 | Very low | 34.9 | Very low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -89.6 | -32.4 | -168.3 | -76.7 | -2.8 | 0 | 0 | 0 | 114.9 | D969 | D969-N971 VanDerWaalsContact C-N 3.27Å; D969-N971 PolarHBondContact O-N 3.11Å; D969-N971 VanDerWaalsContact O-N 3.16Å |
| 972 | M | 26.9 | Very low | 36.9 | Very low | 174 Ų | 174 | 123.6 Ų | 123.6 | 86% | 0.857 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -79.6 | -35.6 | 173.5 | -77.9 | -149 | -165.3 | 0 | 0 | 112.3 | ||
| 973 | G | 28.3 | Very low | 39 | Very low | 37 Ų | 37 | 119.7 Ų | 119.7 | 38% | 0.381 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -62.1 | -44.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K975 S976 T977 | G973-K975 PolarHBondContact O-N 3.15Å; G973-S976 PolarHBondContact O-N 3.37Å; G973-T977 PolarHBondContact O-N 3.49Å; G973-T977 PolarHBondContact O-OG1 3.32Å |
| 974 | A | 32.9 | Very low | 41.7 | Very low | 63 Ų | 63 | 117.1 Ų | 117.1 | 52% | 0.521 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -60.6 | -39 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S970 R978 | S970-A974 WeakPolarHBondContact O-CB 3.41Å; S970-A974 PolarHBondContact O-N 3.06Å; A974-R978 WeakPolarHBondContact O-CB 3.32Å; A974-R978 PolarHBondContact O-N 2.97Å; A974-R978 VanDerWaalsContact O-N 3.1Å |
| 975 | K | 31.2 | Very low | 44.4 | Very low | 169 Ų | 169 | 113 Ų | 113 | 74% | 0.735 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.4 | -45.7 | 176.7 | -78.5 | -174.2 | 179 | 177.9 | 0 | 111.6 | G973 R978 V979 | G973-K975 PolarHBondContact O-N 3.15Å; K975-R978 PolarHBondContact O-N 2.98Å; K975-V979 WeakPolarHBondContact O-CG2 3.37Å; K975-V979 PolarHBondContact O-N 2.9Å; K975-V979 VanDerWaalsContact O-N 3.1Å |
| 976 | S | 38.9 | Very low | 47.2 | Very low | 82 Ų | 82 | 110.1 Ų | 110.1 | 57% | 0.573 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.6 | -45.8 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | G973 R978 V979 H980 | G973-S976 PolarHBondContact O-N 3.37Å; S976-R978 VanDerWaalsContact C-N 3.31Å; S976-R978 PolarHBondContact O-N 2.93Å; S976-V979 PolarHBondContact O-N 3.02Å; S976-H980 WeakPolarHBondContact O-CB 3.5Å; S976-H980 PolarHBondContact O-N 2.7Å |
| 977 | T | 52.1 | Low | 50.2 | Low | 95 Ų | 95 | 104.8 Ų | 104.8 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.4 | -37.9 | 176.8 | -48.8 | 0 | 0 | 0 | 0 | 112 | G973 L981 | G973-T977 PolarHBondContact O-N 3.49Å; G973-T977 PolarHBondContact O-OG1 3.32Å; T977-L981 VanDerWaalsContact O-CB 3.27Å; T977-L981 WeakPolarHBondContact O-CB 3.44Å; T977-L981 PolarHBondContact O-N 2.93Å |
| 978 | R | 53.6 | Low | 53.3 | Low | 162 Ų | 162 | 95.6 Ų | 95.6 | 61% | 0.611 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.5 | -43.9 | 178.7 | -168.2 | 177.7 | -175.2 | -176.1 | 0.1 | 112.5 | A974 K975 S976 L981 M982 | A974-R978 WeakPolarHBondContact O-CB 3.32Å; A974-R978 PolarHBondContact O-N 2.97Å; A974-R978 VanDerWaalsContact O-N 3.1Å; K975-R978 PolarHBondContact O-N 2.98Å; S976-R978 VanDerWaalsContact C-N 3.31Å; S976-R978 PolarHBondContact O-N 2.93Å; R978-L981 PolarHBondContact O-N 2.68Å; R978-M982 HydrophobicContact CG-CE 4.01Å; R978-M982 HydrophobicContact CG-SD 4.46Å; R978-M982 WeakPolarHBondContact O-CG 3.3Å; R978-M982 PolarHBondContact O-N 2.87Å |
| 979 | V | 56.4 | Low | 56.5 | Low | 80 Ų | 80 | 91 Ų | 91 | 49% | 0.485 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 177.1 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | K975 S976 L981 M982 Q983 | K975-V979 WeakPolarHBondContact O-CG2 3.37Å; K975-V979 PolarHBondContact O-N 2.9Å; K975-V979 VanDerWaalsContact O-N 3.1Å; S976-V979 PolarHBondContact O-N 3.02Å; V979-L981 VanDerWaalsContact C-N 3.31Å; V979-L981 PolarHBondContact O-N 3.32Å; V979-M982 PolarHBondContact O-N 2.99Å; V979-Q983 HydrophobicContact CG1-CG 4.47Å; V979-Q983 WeakPolarHBondContact O-CG 3.31Å; V979-Q983 PolarHBondContact O-N 2.83Å |
| 980 | H | 63.1 | Low | 59.5 | Low | 102 Ų | 102 | 84 Ų | 84 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 177.5 | -169.9 | -68.5 | 0 | 0 | 0 | 111.7 | S976 Q983 M984 | S976-H980 WeakPolarHBondContact O-CB 3.5Å; S976-H980 PolarHBondContact O-N 2.7Å; H980-Q983 PolarHBondContact O-N 3.12Å; H980-M984 WeakPolarHBondContact O-CB 3.03Å; H980-M984 WeakPolarHBondContact O-CG 3.41Å; H980-M984 PolarHBondContact O-N 3Å |
| 981 | L | 70 | Confident | 62.5 | Low | 24 Ų | 24 | 79.6 Ų | 79.6 | 13% | 0.126 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.5 | -174.7 | 67.7 | 0 | 0 | 0 | 111.8 | V922 T977 R978 V979 M984 R985 | V922-L981 HydrophobicContact CB-CD1 3.98Å; V922-L981 HydrophobicContact CG1-CD1 3.97Å; T977-L981 VanDerWaalsContact O-CB 3.27Å; T977-L981 WeakPolarHBondContact O-CB 3.44Å; T977-L981 PolarHBondContact O-N 2.93Å; R978-L981 PolarHBondContact O-N 2.68Å; V979-L981 VanDerWaalsContact C-N 3.31Å; V979-L981 PolarHBondContact O-N 3.32Å; L981-M984 PolarHBondContact O-N 3.18Å; L981-R985 WeakPolarHBondContact O-CB 3.08Å; L981-R985 VanDerWaalsContact O-CG 3.28Å; L981-R985 WeakPolarHBondContact O-CG 3.47Å; L981-R985 PolarHBondContact O-N 2.96Å |
| 982 | M | 69.2 | Low | 65.6 | Low | 102 Ų | 102 | 73.1 Ų | 73.1 | 50% | 0.502 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64 | -43 | 176.3 | -73.5 | 175.2 | 172.2 | 0 | 0 | 112.1 | R978 V979 R985 R986 | R978-M982 HydrophobicContact CG-CE 4.01Å; R978-M982 HydrophobicContact CG-SD 4.46Å; R978-M982 WeakPolarHBondContact O-CG 3.3Å; R978-M982 PolarHBondContact O-N 2.87Å; V979-M982 PolarHBondContact O-N 2.99Å; M982-R985 PolarHBondContact O-N 3.13Å; M982-R986 PolarHBondContact O-N 3.38Å |
| 983 | Q | 70.3 | Confident | 68.8 | Low | 70 Ų | 70 | 64.8 Ų | 64.8 | 33% | 0.327 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 175.5 | -72.4 | 177.7 | -11.6 | 0 | 0 | 111.9 | V979 H980 R986 K987 | V979-Q983 HydrophobicContact CG1-CG 4.47Å; V979-Q983 WeakPolarHBondContact O-CG 3.31Å; V979-Q983 PolarHBondContact O-N 2.83Å; H980-Q983 PolarHBondContact O-N 3.12Å; Q983-R986 PolarHBondContact O-N 3.02Å; Q983-K987 WeakPolarHBondContact O-CG 3.47Å; Q983-K987 PolarHBondContact O-N 3.02Å |
| 984 | M | 79.2 | Confident | 71.9 | Confident | 48 Ų | 48 | 63 Ų | 63 | 24% | 0.236 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66 | -37 | 176.2 | -80.3 | -60.7 | -179.7 | 0 | 0 | 112.7 | F913 H980 L981 K987 Q988 | F913-M984 HydrophobicContact CD1-SD 4.38Å; F913-M984 HydrophobicContact CE1-SD 4.33Å; H980-M984 WeakPolarHBondContact O-CB 3.03Å; H980-M984 WeakPolarHBondContact O-CG 3.41Å; H980-M984 PolarHBondContact O-N 3Å; L981-M984 PolarHBondContact O-N 3.18Å; M984-K987 PolarHBondContact O-N 3.46Å; M984-K987 HydrophobicContact SD-CD 4.32Å; M984-Q988 WeakPolarHBondContact O-CG 3.25Å; M984-Q988 PolarHBondContact O-N 2.58Å; M984-Q988 PolarHBondContact O-NE2 3.32Å |
| 985 | R | 81.6 | Confident | 74.7 | Confident | 81 Ų | 81 | 60 Ų | 60 | 31% | 0.306 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.4 | -50.9 | 172 | -75.7 | 174.3 | -177 | -168.3 | 0.3 | 110.8 | L981 M982 K987 Q988 E989 | L981-R985 WeakPolarHBondContact O-CB 3.08Å; L981-R985 VanDerWaalsContact O-CG 3.28Å; L981-R985 WeakPolarHBondContact O-CG 3.47Å; L981-R985 PolarHBondContact O-N 2.96Å; M982-R985 PolarHBondContact O-N 3.13Å; R985-K987 VanDerWaalsContact C-N 3.28Å; R985-K987 PolarHBondContact O-N 2.92Å; R985-Q988 WeakPolarHBondContact O-CA 3.41Å; R985-Q988 VanDerWaalsContact O-CB 3.31Å; R985-Q988 WeakPolarHBondContact O-CB 3.39Å; R985-Q988 PolarHBondContact O-N 3.31Å; R985-E989 WeakPolarHBondContact O-CG 3.45Å; R985-E989 PolarHBondContact O-N 2.82Å |
| 986 | R | 82.3 | Confident | 77.6 | Confident | 102 Ų | 102 | 52 Ų | 52 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.2 | -42.2 | 177 | -175.9 | 174.7 | 174.8 | 179.5 | -1.1 | 112.3 | M874 M982 Q983 E989 I990 | M874-R986 VanDerWaalsContact CE-NH2 3.35Å; M874-R986 VanDerWaalsContact SD-CZ 3.55Å; M874-R986 PolarHBondContact SD-NE 3.38Å; M874-R986 PolarHBondContact SD-NH2 2.9Å; M982-R986 PolarHBondContact O-N 3.38Å; Q983-R986 PolarHBondContact O-N 3.02Å; R986-E989 PolarHBondContact O-N 3.39Å; R986-I990 HydrophobicContact CG-CD1 4.03Å; R986-I990 VanDerWaalsContact O-CG1 3.29Å; R986-I990 WeakPolarHBondContact O-CG1 3.27Å; R986-I990 PolarHBondContact O-N 3.33Å |
| 987 | K | 85.5 | Confident | 80.2 | Confident | 76 Ų | 76 | 48.1 Ų | 48.1 | 33% | 0.33 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 174.2 | -74.8 | -177.9 | 178.7 | -179.9 | 0 | 112.6 | W910 F913 Q983 M984 R985 I990 A991 | W910-K987 HydrophobicContact CZ3-CB 4.15Å; W910-K987 HydrophobicContact CZ3-CG 4.27Å; F913-K987 HydrophobicContact CB-CB 4.46Å; F913-K987 HydrophobicContact CD1-CB 4.1Å; F913-K987 HydrophobicContact CD1-CD 4.04Å; F913-K987 HydrophobicContact CE1-CD 3.79Å; F913-K987 HydrophobicContact CG-CB 4.29Å; F913-K987 HydrophobicContact CZ-CD 4.22Å; Q983-K987 WeakPolarHBondContact O-CG 3.47Å; Q983-K987 PolarHBondContact O-N 3.02Å; M984-K987 PolarHBondContact O-N 3.46Å; M984-K987 HydrophobicContact SD-CD 4.32Å; R985-K987 VanDerWaalsContact C-N 3.28Å; R985-K987 PolarHBondContact O-N 2.92Å; K987-I990 PolarHBondContact O-N 3.41Å; K987-A991 VanDerWaalsContact O-CB 3.27Å; K987-A991 WeakPolarHBondContact O-CB 3.34Å; K987-A991 PolarHBondContact O-N 3.08Å |
| 988 | Q | 90 | Very high | 82 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 175 | -77.8 | 174.9 | 68.2 | 0 | 0 | 112.5 | F913 P915 V918 V922 M984 R985 T992 | F913-Q988 WeakPolarHBondContact O-CA 3.14Å; F913-Q988 WeakPolarHBondContact O-CG 3.49Å; P915-Q988 HydrophobicContact CG-CB 4.14Å; P915-Q988 HydrophobicContact CG-CG 4.44Å; V918-Q988 HydrophobicContact CG2-CG 4.41Å; V922-Q988 PolarHBondContact O-NE2 3.33Å; M984-Q988 WeakPolarHBondContact O-CG 3.25Å; M984-Q988 PolarHBondContact O-N 2.58Å; M984-Q988 PolarHBondContact O-NE2 3.32Å; R985-Q988 WeakPolarHBondContact O-CA 3.41Å; R985-Q988 VanDerWaalsContact O-CB 3.31Å; R985-Q988 WeakPolarHBondContact O-CB 3.39Å; R985-Q988 PolarHBondContact O-N 3.31Å; Q988-T992 WeakPolarHBondContact O-CB 3.39Å; Q988-T992 PolarHBondContact O-N 3.28Å; Q988-T992 PolarHBondContact O-OG1 3.07Å |
| 989 | E | 90.5 | Very high | 83.6 | Confident | 59 Ų | 59 | 35.9 Ų | 35.9 | 28% | 0.276 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.2 | -47.2 | 176.5 | -55.4 | -172.4 | 163.9 | 0 | 0 | 111.4 | R985 R986 T992 V993 L1072 | R985-E989 WeakPolarHBondContact O-CG 3.45Å; R985-E989 PolarHBondContact O-N 2.82Å; R986-E989 PolarHBondContact O-N 3.39Å; E989-T992 PolarHBondContact O-N 3.15Å; E989-V993 PolarHBondContact O-N 3.03Å; E989-V993 VanDerWaalsContact O-N 3.08Å; E989-L1072 HydrophobicContact CB-CD1 4.36Å; E989-L1072 HydrophobicContact CB-CD2 4.48Å; E989-L1072 HydrophobicContact CG-CD2 4.03Å |
| 990 | I | 90.7 | Very high | 85.1 | Confident | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.036 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.4 | -48.3 | 177.2 | -67.3 | 167 | 0 | 0 | 0 | 110.4 | E870 A873 M874 W910 R986 K987 T992 V993 L994 | E870-I990 HydrophobicContact CB-CG2 4.47Å; A873-I990 HydrophobicContact CB-CG2 4.16Å; M874-I990 HydrophobicContact CG-CD1 3.78Å; M874-I990 HydrophobicContact CG-CG1 3.61Å; M874-I990 HydrophobicContact SD-CD1 3.97Å; M874-I990 HydrophobicContact SD-CG1 4.45Å; W910-I990 HydrophobicContact CD2-CG2 4.43Å; W910-I990 HydrophobicContact CE3-CG2 4.19Å; W910-I990 HydrophobicContact CH2-CB 4.05Å; W910-I990 HydrophobicContact CH2-CD1 4.36Å; W910-I990 HydrophobicContact CH2-CG2 3.51Å; W910-I990 HydrophobicContact CZ2-CG2 3.8Å; W910-I990 HydrophobicContact CZ3-CB 3.96Å; W910-I990 HydrophobicContact CZ3-CG2 3.73Å; R986-I990 HydrophobicContact CG-CD1 4.03Å; R986-I990 VanDerWaalsContact O-CG1 3.29Å; R986-I990 WeakPolarHBondContact O-CG1 3.27Å; R986-I990 PolarHBondContact O-N 3.33Å; K987-I990 PolarHBondContact O-N 3.41Å; I990-T992 VanDerWaalsContact C-N 3.34Å; I990-T992 PolarHBondContact O-N 3.13Å; I990-V993 PolarHBondContact O-N 2.89Å; I990-L994 WeakPolarHBondContact O-CB 3.22Å; I990-L994 PolarHBondContact O-N 3.27Å |
| 991 | A | 91.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.7 | -47.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | W910 F913 K987 V993 L995 | W910-A991 HydrophobicContact CB-CB 4.45Å; W910-A991 HydrophobicContact CE3-CB 3.86Å; F913-A991 HydrophobicContact CB-CB 3.83Å; K987-A991 VanDerWaalsContact O-CB 3.27Å; K987-A991 WeakPolarHBondContact O-CB 3.34Å; K987-A991 PolarHBondContact O-N 3.08Å; A991-V993 VanDerWaalsContact C-N 3.35Å; A991-V993 PolarHBondContact O-N 2.86Å; A991-L995 VanDerWaalsContact O-CB 3.28Å; A991-L995 WeakPolarHBondContact O-CB 3.46Å; A991-L995 VanDerWaalsContact O-CG 3.26Å; A991-L995 WeakPolarHBondContact O-CG 3.39Å; A991-L995 PolarHBondContact O-N 2.67Å |
| 992 | T | 92.4 | Very high | 87 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | -178.9 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | P915 Q988 E989 I990 G996 L1054 L1072 | P915-T992 WeakPolarHBondContact CD-OG1 3.4Å; P915-T992 WeakPolarHBondContact CG-OG1 3.49Å; Q988-T992 WeakPolarHBondContact O-CB 3.39Å; Q988-T992 PolarHBondContact O-N 3.28Å; Q988-T992 PolarHBondContact O-OG1 3.07Å; E989-T992 PolarHBondContact O-N 3.15Å; I990-T992 VanDerWaalsContact C-N 3.34Å; I990-T992 PolarHBondContact O-N 3.13Å; T992-G996 PolarHBondContact O-N 3.3Å; T992-G996 VanDerWaalsContact O-N 3.11Å; T992-L1054 HydrophobicContact CG2-CD2 3.85Å; T992-L1072 HydrophobicContact CG2-CD1 4.41Å |
| 993 | V | 94.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -72.9 | -49.7 | 179.8 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | A873 W876 Q877 E989 I990 A991 L995 G996 V997 L1072 L1079 | A873-V993 HydrophobicContact CB-CG1 4.29Å; W876-V993 HydrophobicContact CB-CG1 3.85Å; W876-V993 HydrophobicContact CG-CG1 3.95Å; Q877-V993 HydrophobicContact CG-CG2 3.71Å; E989-V993 PolarHBondContact O-N 3.03Å; E989-V993 VanDerWaalsContact O-N 3.08Å; I990-V993 PolarHBondContact O-N 2.89Å; A991-V993 VanDerWaalsContact C-N 3.35Å; A991-V993 PolarHBondContact O-N 2.86Å; V993-L995 PolarHBondContact O-N 3.43Å; V993-G996 CarbonylContact O-C 3.57Å; V993-G996 PolarHBondContact O-N 2.94Å; V993-V997 HydrophobicContact CG1-CG2 4.37Å; V993-V997 VanDerWaalsContact O-CG2 3.29Å; V993-V997 WeakPolarHBondContact O-CG2 3.38Å; V993-V997 PolarHBondContact O-N 3.07Å; V993-L1072 HydrophobicContact CG2-CD1 3.93Å; V993-L1079 HydrophobicContact CB-CD1 4.48Å; V993-L1079 HydrophobicContact CG1-CD1 4.23Å |
| 994 | L | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.4 | -48.6 | -175.7 | 178.1 | 57.2 | 0 | 0 | 0 | 111.7 | V869 A873 L891 L895 W910 I990 G996 V997 I998 | V869-L994 HydrophobicContact CG1-CD1 3.29Å; V869-L994 HydrophobicContact CG1-CD2 3.77Å; V869-L994 HydrophobicContact CG1-CG 4.17Å; A873-L994 HydrophobicContact CB-CB 4.14Å; L891-L994 HydrophobicContact CD1-CD1 4.17Å; L895-L994 HydrophobicContact CD2-CD1 4.38Å; W910-L994 VanDerWaalsContact CD1-CD2 3.41Å; W910-L994 HydrophobicContact CD2-CD2 4.35Å; W910-L994 HydrophobicContact CG-CD2 3.9Å; I990-L994 WeakPolarHBondContact O-CB 3.22Å; I990-L994 PolarHBondContact O-N 3.27Å; L994-G996 VanDerWaalsContact C-N 3.34Å; L994-V997 PolarHBondContact O-N 3.35Å; L994-I998 HydrophobicContact CD1-CD1 4.47Å; L994-I998 HydrophobicContact CG-CD1 4.48Å; L994-I998 WeakPolarHBondContact O-CG1 3.42Å; L994-I998 PolarHBondContact O-N 2.79Å; L994-I998 VanDerWaalsContact O-N 3.07Å |
| 995 | L | 91.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69 | -35.7 | 178 | -60.6 | -178.8 | 0 | 0 | 0 | 111.4 | V907 W910 A911 L914 A991 V993 V997 I998 G999 E1050 | V907-L995 HydrophobicContact CB-CD2 4.27Å; V907-L995 HydrophobicContact CG2-CD2 3.92Å; W910-L995 HydrophobicContact CB-CD1 4.3Å; W910-L995 HydrophobicContact CB-CD2 4.14Å; W910-L995 HydrophobicContact CB-CG 4.25Å; A911-L995 HydrophobicContact CB-CD1 4.29Å; L914-L995 HydrophobicContact CD1-CD1 3.81Å; L914-L995 HydrophobicContact CD2-CD1 3.85Å; L914-L995 HydrophobicContact CG-CD1 3.73Å; A991-L995 VanDerWaalsContact O-CB 3.28Å; A991-L995 WeakPolarHBondContact O-CB 3.46Å; A991-L995 VanDerWaalsContact O-CG 3.26Å; A991-L995 WeakPolarHBondContact O-CG 3.39Å; A991-L995 PolarHBondContact O-N 2.67Å; V993-L995 PolarHBondContact O-N 3.43Å; L995-V997 VanDerWaalsContact C-N 3.31Å; L995-V997 PolarHBondContact O-N 3.39Å; L995-I998 HydrophobicContact CD2-CD1 4.43Å; L995-I998 PolarHBondContact O-N 3.26Å; L995-G999 PolarHBondContact O-N 2.91Å; L995-E1050 HydrophobicContact CB-CG 3.89Å; L995-E1050 HydrophobicContact CD1-CG 4.34Å |
| 996 | G | 91.3 | Very high | 85.3 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.5 | -36.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T992 V993 L994 S1000 W1087 | T992-G996 PolarHBondContact O-N 3.3Å; T992-G996 VanDerWaalsContact O-N 3.11Å; V993-G996 CarbonylContact O-C 3.57Å; V993-G996 PolarHBondContact O-N 2.94Å; L994-G996 VanDerWaalsContact C-N 3.34Å; G996-S1000 VanDerWaalsContact O-CB 3.24Å; G996-S1000 WeakPolarHBondContact O-CB 3.45Å; G996-S1000 PolarHBondContact O-N 3.19Å; G996-S1000 PolarHBondContact O-OG 3.23Å; G996-W1087 WeakPolarHBondContact O-CH2 3Å |
| 997 | V | 93.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.5 | -45.7 | 174.4 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | W876 L891 I892 L895 V993 L994 L995 S1000 S1001 L1079 | W876-V997 HydrophobicContact CD2-CG2 4Å; W876-V997 HydrophobicContact CE3-CG2 3.8Å; W876-V997 HydrophobicContact CH2-CG1 4.08Å; W876-V997 HydrophobicContact CH2-CG2 3.72Å; W876-V997 HydrophobicContact CZ2-CG2 3.94Å; W876-V997 HydrophobicContact CZ3-CB 4.49Å; W876-V997 HydrophobicContact CZ3-CG1 3.96Å; W876-V997 HydrophobicContact CZ3-CG2 3.62Å; L891-V997 HydrophobicContact CD2-CB 4.31Å; L891-V997 HydrophobicContact CD2-CG1 4.17Å; L891-V997 HydrophobicContact CD2-CG2 3.97Å; L891-V997 HydrophobicContact CG-CG1 4.35Å; I892-V997 HydrophobicContact CG1-CG1 4.4Å; L895-V997 HydrophobicContact CD1-CB 4.38Å; L895-V997 HydrophobicContact CD1-CG1 3.59Å; V993-V997 HydrophobicContact CG1-CG2 4.37Å; V993-V997 VanDerWaalsContact O-CG2 3.29Å; V993-V997 WeakPolarHBondContact O-CG2 3.38Å; V993-V997 PolarHBondContact O-N 3.07Å; L994-V997 PolarHBondContact O-N 3.35Å; L995-V997 VanDerWaalsContact C-N 3.31Å; L995-V997 PolarHBondContact O-N 3.39Å; V997-S1000 WeakPolarHBondContact CA-OG 3.49Å; V997-S1000 PolarHBondContact O-N 3.17Å; V997-S1000 PolarHBondContact O-OG 3.32Å; V997-S1000 VanDerWaalsContact O-OG 3.11Å; V997-S1001 WeakPolarHBondContact O-CB 3.39Å; V997-S1001 PolarHBondContact O-N 2.96Å; V997-S1001 PolarHBondContact O-OG 3.28Å; V997-L1079 HydrophobicContact CB-CD2 4.39Å; V997-L1079 HydrophobicContact CG2-CD1 4.27Å; V997-L1079 HydrophobicContact CG2-CD2 3.6Å |
| 998 | I | 90.7 | Very high | 82.6 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.6 | -50.7 | 177.8 | -66.8 | 172.7 | 0 | 0 | 0 | 110.6 | L895 L906 V907 L994 L995 S1000 F1002 L1006 | L895-I998 HydrophobicContact CD1-CG1 4Å; L895-I998 HydrophobicContact CD2-CD1 4.16Å; L895-I998 HydrophobicContact CD2-CG1 4.02Å; L906-I998 HydrophobicContact CB-CD1 4.17Å; V907-I998 HydrophobicContact CG2-CD1 4.09Å; V907-I998 HydrophobicContact CG2-CG2 4.11Å; L994-I998 HydrophobicContact CD1-CD1 4.47Å; L994-I998 HydrophobicContact CG-CD1 4.48Å; L994-I998 WeakPolarHBondContact O-CG1 3.42Å; L994-I998 PolarHBondContact O-N 2.79Å; L994-I998 VanDerWaalsContact O-N 3.07Å; L995-I998 HydrophobicContact CD2-CD1 4.43Å; L995-I998 PolarHBondContact O-N 3.26Å; I998-S1000 PolarHBondContact O-N 3.25Å; I998-F1002 WeakPolarHBondContact O-CA 3.44Å; I998-F1002 WeakPolarHBondContact O-CB 3.46Å; I998-F1002 PolarHBondContact O-N 2.77Å; I998-L1006 HydrophobicContact CG2-CD1 3.7Å |
| 999 | G | 86.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.5 | -31.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L995 T1086 | L995-G999 PolarHBondContact O-N 2.91Å; G999-T1086 PolarHBondContact O-OG1 3.49Å; G999-T1086 VanDerWaalsContact O-OG1 3.11Å |
| 1000 | S | 88.8 | Confident | 77.8 | Confident | 19 Ų | 19 | 32.1 Ų | 32.1 | 13% | 0.133 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -77.1 | -34.9 | 177 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | G996 V997 I998 | G996-S1000 VanDerWaalsContact O-CB 3.24Å; G996-S1000 WeakPolarHBondContact O-CB 3.45Å; G996-S1000 PolarHBondContact O-N 3.19Å; G996-S1000 PolarHBondContact O-OG 3.23Å; V997-S1000 WeakPolarHBondContact CA-OG 3.49Å; V997-S1000 PolarHBondContact O-N 3.17Å; V997-S1000 PolarHBondContact O-OG 3.32Å; V997-S1000 VanDerWaalsContact O-OG 3.11Å; I998-S1000 PolarHBondContact O-N 3.25Å |
| 1001 | S | 86.4 | Confident | 75.3 | Confident | 58 Ų | 58 | 37.5 Ų | 37.5 | 41% | 0.406 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -105.7 | -27.6 | -169.7 | -55.4 | 0 | 0 | 0 | 0 | 114.3 | V997 | V997-S1001 WeakPolarHBondContact O-CB 3.39Å; V997-S1001 PolarHBondContact O-N 2.96Å; V997-S1001 PolarHBondContact O-OG 3.28Å |
| 1002 | F | 85 | Confident | 72.4 | Confident | 11 Ų | 11 | 45.1 Ų | 45.1 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -120.7 | 12.4 | -168.9 | -63 | -84.6 | 0 | 0 | 0 | 114.7 | I892 L895 N896 R903 I998 N1004 D1005 L1006 | I892-F1002 HydrophobicContact CG2-CZ 4.39Å; L895-F1002 HydrophobicContact CB-CD2 4.4Å; L895-F1002 HydrophobicContact CB-CE2 3.55Å; L895-F1002 HydrophobicContact CB-CZ 3.66Å; L895-F1002 HydrophobicContact CD1-CE2 3.94Å; L895-F1002 HydrophobicContact CG-CE2 4.41Å; N896-F1002 HydrophobicContact CB-CE1 4.42Å; N896-F1002 HydrophobicContact CB-CZ 4.49Å; N896-F1002 VanDerWaalsContact OD1-CE1 3.26Å; N896-F1002 WeakPolarHBondContact OD1-CE1 3.32Å; R903-F1002 VanDerWaalsContact CZ-CD1 3.44Å; I998-F1002 WeakPolarHBondContact O-CA 3.44Å; I998-F1002 WeakPolarHBondContact O-CB 3.46Å; I998-F1002 PolarHBondContact O-N 2.77Å; F1002-N1004 VanDerWaalsContact C-N 3.31Å; F1002-N1004 PolarHBondContact O-N 2.89Å; F1002-D1005 PolarHBondContact O-N 3.38Å; F1002-D1005 VanDerWaalsContact O-N 3.11Å; F1002-L1006 HydrophobicContact CB-CD1 4.3Å; F1002-L1006 WeakPolarHBondContact O-CD1 3.17Å; F1002-L1006 PolarHBondContact O-N 2.98Å |
| 1003 | N | 74.1 | Confident | 69.3 | Low | 28 Ų | 28 | 48.3 Ų | 48.3 | 15% | 0.15 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -51.3 | -43.8 | -176.6 | -179.9 | 21.7 | 0 | 0 | 0 | 113.9 | D1005 L1006 M1007 T1086 | N1003-D1005 VanDerWaalsContact C-N 3.27Å; N1003-D1005 PolarHBondContact O-N 2.98Å; N1003-L1006 PolarHBondContact O-N 3.23Å; N1003-M1007 WeakPolarHBondContact O-CG 3.3Å; N1003-M1007 PolarHBondContact O-N 3.21Å; N1003-M1007 VanDerWaalsContact OD1-CG 3.26Å; N1003-M1007 WeakPolarHBondContact OD1-CG 3.36Å; N1003-T1086 HydrophobicContact CB-CG2 4.06Å; N1003-T1086 WeakPolarHBondContact ND2-CG2 3.33Å; N1003-T1086 PolarHBondContact ND2-OG1 3.33Å |
| 1004 | N | 68.6 | Low | 66.2 | Low | 118 Ų | 118 | 57.3 Ų | 57.3 | 63% | 0.631 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.2 | -36 | -177.9 | -70.1 | -30.4 | 0 | 0 | 0 | 112.8 | F1002 N1008 | F1002-N1004 VanDerWaalsContact C-N 3.31Å; F1002-N1004 PolarHBondContact O-N 2.89Å; N1004-N1008 WeakPolarHBondContact O-CB 3.49Å; N1004-N1008 PolarHBondContact O-N 2.97Å; N1004-N1008 PolarHBondContact O-ND2 2.88Å |
| 1005 | D | 62.6 | Low | 63.2 | Low | 77 Ų | 77 | 66.6 Ų | 66.6 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.6 | -38.5 | -179.1 | -67.5 | -6.4 | 0 | 0 | 0 | 111.2 | R903 F1002 N1003 A1009 | R903-D1005 IonicContact CZ-OD2 3.98Å; R903-D1005 IonicContact NH2-OD2 3.53Å; R903-D1005 PolarHBondContact NH2-OD2 2.89Å; F1002-D1005 PolarHBondContact O-N 3.38Å; F1002-D1005 VanDerWaalsContact O-N 3.11Å; N1003-D1005 VanDerWaalsContact C-N 3.27Å; N1003-D1005 PolarHBondContact O-N 2.98Å; D1005-A1009 PolarHBondContact O-N 3.05Å |
| 1006 | L | 59.6 | Low | 60.1 | Low | 13 Ų | 13 | 71.3 Ų | 71.3 | 7% | 0.068 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -72.3 | -31.8 | 179.8 | -72.1 | 139.6 | 0 | 0 | 0 | 111.8 | E904 I998 F1002 N1003 V1043 F1047 | E904-L1006 HydrophobicContact CG-CD2 4Å; I998-L1006 HydrophobicContact CG2-CD1 3.7Å; F1002-L1006 HydrophobicContact CB-CD1 4.3Å; F1002-L1006 WeakPolarHBondContact O-CD1 3.17Å; F1002-L1006 PolarHBondContact O-N 2.98Å; N1003-L1006 PolarHBondContact O-N 3.23Å; L1006-V1043 HydrophobicContact CB-CG1 4.33Å; L1006-V1043 HydrophobicContact CD2-CG1 3.56Å; L1006-F1047 HydrophobicContact CB-CE2 4.47Å; L1006-F1047 HydrophobicContact CB-CZ 3.97Å; L1006-F1047 HydrophobicContact CD1-CZ 4.13Å |
| 1007 | M | 59.2 | Low | 57.1 | Low | 96 Ų | 96 | 76.6 Ų | 76.6 | 47% | 0.473 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -82 | -37.2 | 176.8 | -67.9 | -67.8 | -172.5 | 0 | 0 | 113.5 | N1003 F1047 | N1003-M1007 WeakPolarHBondContact O-CG 3.3Å; N1003-M1007 PolarHBondContact O-N 3.21Å; N1003-M1007 VanDerWaalsContact OD1-CG 3.26Å; N1003-M1007 WeakPolarHBondContact OD1-CG 3.36Å; M1007-F1047 HydrophobicContact CE-CD2 3.96Å; M1007-F1047 HydrophobicContact CE-CE2 3.89Å |
| 1008 | N | 52.9 | Low | 54 | Low | 122 Ų | 122 | 79.9 Ų | 79.9 | 65% | 0.652 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -96.5 | 4 | -172.6 | -66.4 | -28.1 | 0 | 0 | 0 | 114.6 | N1004 P1010 | N1004-N1008 WeakPolarHBondContact O-CB 3.49Å; N1004-N1008 PolarHBondContact O-N 2.97Å; N1004-N1008 PolarHBondContact O-ND2 2.88Å; N1008-P1010 VanDerWaalsContact O-N 3.09Å |
| 1009 | A | 43.7 | Very low | 51.1 | Low | 22 Ų | 22 | 87.6 Ų | 87.6 | 18% | 0.182 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -52.3 | 120.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | D1005 V1011 K1040 | D1005-A1009 PolarHBondContact O-N 3.05Å; A1009-V1011 PolarHBondContact O-N 3.15Å; A1009-V1011 VanDerWaalsContact O-N 3.14Å; A1009-K1040 PolarHBondContact O-NZ 2.96Å |
| 1010 | P | 36 | Very low | 48.4 | Very low | 101 Ų | 101 | 93.4 Ų | 93.4 | 66% | 0.656 | 56% | 0.555 | S | S | * | * | trans | -53.1 | 124.1 | -165 | 17.6 | -30.1 | 0 | 0 | 0 | 110 | N1008 L1012 K1040 | N1008-P1010 VanDerWaalsContact O-N 3.09Å; P1010-L1012 PolarHBondContact O-N 3.27Å; P1010-K1040 PolarHBondContact O-NZ 3.46Å; P1010-K1040 VanDerWaalsContact O-NZ 3.13Å | ||
| 1011 | V | 37.5 | Very low | 45.3 | Very low | 120 Ų | 120 | 101.7 Ų | 101.7 | 73% | 0.727 | 60% | 0.596 | S | S | * | * | trans | -63.7 | 112.9 | 156.4 | -179 | 0 | 0 | 0 | 0 | 103 | A1009 A1013 | A1009-V1011 PolarHBondContact O-N 3.15Å; A1009-V1011 VanDerWaalsContact O-N 3.14Å; V1011-A1013 HydrophobicContact CG1-CB 4.08Å; V1011-A1013 PolarHBondContact O-N 3.43Å | ||
| 1012 | L | 31 | Very low | 42.6 | Very low | 160 Ų | 160 | 103.1 Ų | 103.1 | 84% | 0.838 | 61% | 0.607 | S | S | * | * | trans | -66.6 | 66.4 | 167.7 | -72.3 | 166.8 | 0 | 0 | 0 | 108.4 | P1010 | P1010-L1012 PolarHBondContact O-N 3.27Š| ||
| 1013 | A | 28.1 | Very low | 39.9 | Very low | 68 Ų | 68 | 112.2 Ų | 112.2 | 56% | 0.562 | 65% | 0.646 | S | S | * | * | trans | -95.2 | 138.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 104.8 | V1011 | V1011-A1013 HydrophobicContact CG1-CB 4.08Å; V1011-A1013 PolarHBondContact O-N 3.43Å | ||
| 1014 | E | 29.3 | Very low | 37.8 | Very low | 190 Ų | 190 | 119.5 Ų | 119.5 | 89% | 0.888 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 83.1 | 62.1 | 175.9 | -49.6 | -178.2 | 166.4 | 0 | 0 | 116.5 | ||
| 1015 | Q | 29.2 | Very low | 35.9 | Very low | 195 Ų | 195 | 119.9 Ų | 119.9 | 91% | 0.911 | 69% | 0.686 | S | S | * | * | trans | -157.9 | 61.3 | 139.9 | -109 | 175.6 | 19.1 | 0 | 0 | 109.3 | ||||
| 1016 | A | 28 | Very low | 34.3 | Very low | 99 Ų | 99 | 121.1 Ų | 121.1 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -123.6 | 57.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | G1018 | A1016-G1018 PolarHBondContact O-N 2.8Š| ||
| 1017 | S | 27.6 | Very low | 32.8 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | -66.5 | 114.9 | 152.6 | 50 | 0 | 0 | 0 | 0 | 105.9 | D1019 | S1017-D1019 PolarHBondContact O-N 2.82Š| ||
| 1018 | G | 28.7 | Very low | 31.6 | Very low | 69 Ų | 69 | 128.1 Ų | 128.1 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -56.7 | 125 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1016 | A1016-G1018 PolarHBondContact O-N 2.8Š|
| 1019 | D | 29.6 | Very low | 30.5 | Very low | 162 Ų | 162 | 130.7 Ų | 130.7 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | trans | -170.3 | 155.2 | 140 | -96.6 | -27.2 | 0 | 0 | 0 | 107.6 | S1017 | S1017-D1019 PolarHBondContact O-N 2.82Š| ||
| 1020 | V | 30.7 | Very low | 29.8 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | trans | 87.5 | 57 | -176.2 | -156.3 | 0 | 0 | 0 | 0 | 115 | S1022 | V1020-S1022 VanDerWaalsContact CG1-OG 3.29Å; V1020-S1022 WeakPolarHBondContact CG1-OG 3.43Å; V1020-S1022 PolarHBondContact O-N 3.02Å | ||
| 1021 | L | 23.6 | Very low | 29.6 | Very low | 192 Ų | 192 | 132.8 Ų | 132.8 | 100% | 1.005 | 77% | 0.765 | S | S | * | * | trans | -78.4 | 76.1 | 145.4 | -89.3 | 158.1 | 0 | 0 | 0 | 108.4 | ||||
| 1022 | S | 29.3 | Very low | 29.3 | Very low | 89 Ų | 89 | 131.6 Ų | 131.6 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | trans | -116.8 | 115.2 | 165.1 | 60.4 | 0 | 0 | 0 | 0 | 109.5 | V1020 E1024 | V1020-S1022 VanDerWaalsContact CG1-OG 3.29Å; V1020-S1022 WeakPolarHBondContact CG1-OG 3.43Å; V1020-S1022 PolarHBondContact O-N 3.02Å; S1022-E1024 PolarHBondContact O-N 3.43Å | ||
| 1023 | K | 28.1 | Very low | 29.4 | Very low | 201 Ų | 201 | 131.2 Ų | 131.2 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | -44.7 | 122.1 | 168.2 | -65 | 166.6 | 174.8 | 175.1 | 0 | 110.1 | ||||
| 1024 | E | 29.6 | Very low | 29.8 | Very low | 182 Ų | 182 | 135.2 Ų | 135.2 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | trans | 178.2 | 137.3 | 138.6 | -99.6 | 162.6 | -162.2 | 0 | 0 | 111.6 | S1022 | S1022-E1024 PolarHBondContact O-N 3.43Š| ||
| 1025 | T | 28.6 | Very low | 30.2 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 77% | 0.767 | 75% | 0.746 | S | S | * | * | trans | 71.1 | 98.2 | 161.7 | 57.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1026 | S | 29.9 | Very low | 30.9 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | 22.2 | 108.2 | 128.5 | 50.5 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1027 | I | 29 | Very low | 31.9 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 82% | 0.815 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 33.5 | 119.7 | 134.4 | -51.7 | 167.4 | 0 | 0 | 0 | 116.5 | ||
| 1028 | P | 32.2 | Very low | 32.6 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 63% | 0.63 | 71% | 0.71 | S | S | * | * | cis | -143.4 | 82 | 37 | 35.8 | -12.3 | 0 | 0 | 0 | 114.1 | ||||
| 1029 | F | 30.7 | Very low | 33.6 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 77% | 0.772 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -83.7 | -15.4 | 167.7 | -149.8 | -99.5 | 0 | 0 | 0 | 112.6 | ||
| 1030 | V | 30 | Very low | 34.6 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.2 | -27.3 | -176.4 | -178 | 0 | 0 | 0 | 0 | 112.6 | C1032 F1034 | V1030-C1032 PolarHBondContact O-N 3.33Å; V1030-F1034 HydrophobicContact CG1-CD2 3.97Å; V1030-F1034 HydrophobicContact CG1-CE2 4.06Å; V1030-F1034 PolarHBondContact O-N 3.2Å |
| 1031 | A | 30 | Very low | 35.6 | Very low | 63 Ų | 63 | 122.6 Ų | 122.6 | 52% | 0.521 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.5 | -34.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | K1033 F1034 M1035 | A1031-K1033 PolarHBondContact O-N 3Å; A1031-F1034 PolarHBondContact O-N 3.08Å; A1031-M1035 PolarHBondContact O-N 2.91Å |
| 1032 | C | 32.6 | Very low | 37 | Very low | 95 Ų | 95 | 116 Ų | 116 | 64% | 0.642 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.4 | -36.7 | -178.8 | -77.1 | 0 | 0 | 0 | 0 | 113 | V1030 S1036 | V1030-C1032 PolarHBondContact O-N 3.33Å; C1032-S1036 PolarHBondContact O-N 2.9Å |
| 1033 | K | 33.4 | Very low | 38.3 | Very low | 151 Ų | 151 | 112 Ų | 112 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.1 | -37.2 | 177.4 | -87.7 | -171.1 | 175.6 | -177.7 | 0 | 112.8 | A1031 | A1031-K1033 PolarHBondContact O-N 3Å |
| 1034 | F | 36 | Very low | 39.8 | Very low | 153 Ų | 153 | 105.9 Ų | 105.9 | 67% | 0.671 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.9 | -36.3 | 177.5 | -92.4 | -83.4 | 0 | 0 | 0 | 112.6 | V1030 A1031 F1037 Y1038 | V1030-F1034 HydrophobicContact CG1-CD2 3.97Å; V1030-F1034 HydrophobicContact CG1-CE2 4.06Å; V1030-F1034 PolarHBondContact O-N 3.2Å; A1031-F1034 PolarHBondContact O-N 3.08Å; F1034-F1037 PolarHBondContact O-N 3.15Å; F1034-Y1038 PolarHBondContact O-N 2.96Å |
| 1035 | M | 37.8 | Very low | 41.3 | Very low | 133 Ų | 133 | 102 Ų | 102 | 66% | 0.655 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.8 | -46.2 | 175.4 | -94.2 | -70.5 | -135.6 | 0 | 0 | 112.6 | A1031 F1037 Y1038 V1039 | A1031-M1035 PolarHBondContact O-N 2.91Å; M1035-F1037 VanDerWaalsContact C-N 3.28Å; M1035-F1037 PolarHBondContact O-N 3.22Å; M1035-Y1038 PolarHBondContact O-N 3.37Å; M1035-V1039 VanDerWaalsContact O-CG2 3.29Å; M1035-V1039 WeakPolarHBondContact O-CG2 3.27Å; M1035-V1039 PolarHBondContact O-N 3.2Å |
| 1036 | S | 44 | Very low | 43.2 | Very low | 64 Ų | 64 | 96.8 Ų | 96.8 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -35.7 | -178.8 | -177.2 | 0 | 0 | 0 | 0 | 113 | C1032 K1040 | C1032-S1036 PolarHBondContact O-N 2.9Å; S1036-K1040 PolarHBondContact O-N 3.17Å; S1036-K1040 VanDerWaalsContact O-N 3.17Å |
| 1037 | F | 47.8 | Very low | 45.2 | Very low | 150 Ų | 150 | 92.1 Ų | 92.1 | 66% | 0.658 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69.6 | -42.4 | 177.8 | -166.3 | -94.3 | 0 | 0 | 0 | 112.5 | F1034 M1035 K1040 L1041 | F1034-F1037 PolarHBondContact O-N 3.15Å; M1035-F1037 VanDerWaalsContact C-N 3.28Å; M1035-F1037 PolarHBondContact O-N 3.22Å; F1037-K1040 PolarHBondContact O-N 2.87Å; F1037-L1041 PolarHBondContact O-N 3.43Å; F1037-L1041 VanDerWaalsContact O-N 3.11Å |
| 1038 | Y | 43.3 | Very low | 47.3 | Very low | 165 Ų | 165 | 85.9 Ų | 85.9 | 65% | 0.647 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.3 | -40.6 | 177.5 | -130.7 | -88.4 | 0 | 0 | 0 | 111.4 | F1034 M1035 L1041 V1042 | F1034-Y1038 PolarHBondContact O-N 2.96Å; M1035-Y1038 PolarHBondContact O-N 3.37Å; Y1038-L1041 PolarHBondContact O-N 2.91Å; Y1038-V1042 HydrophobicContact CD1-CG2 4.31Å; Y1038-V1042 VanDerWaalsContact O-CG2 3.29Å; Y1038-V1042 WeakPolarHBondContact O-CG2 3.3Å; Y1038-V1042 PolarHBondContact O-N 3.18Å |
| 1039 | V | 49 | Very low | 49.5 | Very low | 24 Ų | 24 | 85.7 Ų | 85.7 | 15% | 0.145 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 177.7 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | Q908 M1035 L1041 V1042 V1043 | Q908-V1039 VanDerWaalsContact NE2-CG1 3.25Å; M1035-V1039 VanDerWaalsContact O-CG2 3.29Å; M1035-V1039 WeakPolarHBondContact O-CG2 3.27Å; M1035-V1039 PolarHBondContact O-N 3.2Å; V1039-L1041 VanDerWaalsContact C-N 3.32Å; V1039-L1041 PolarHBondContact O-N 3.48Å; V1039-V1042 PolarHBondContact O-N 3.28Å; V1039-V1043 WeakPolarHBondContact O-CG2 3.35Å; V1039-V1043 PolarHBondContact O-N 3.4Å |
| 1040 | K | 51.3 | Low | 51.8 | Low | 62 Ų | 62 | 77.5 Ų | 77.5 | 27% | 0.27 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 176.7 | -75.2 | -172.6 | -177.6 | -174.8 | 0 | 112.2 | A1009 P1010 S1036 F1037 V1043 V1044 | A1009-K1040 PolarHBondContact O-NZ 2.96Å; P1010-K1040 PolarHBondContact O-NZ 3.46Å; P1010-K1040 VanDerWaalsContact O-NZ 3.13Å; S1036-K1040 PolarHBondContact O-N 3.17Å; S1036-K1040 VanDerWaalsContact O-N 3.17Å; F1037-K1040 PolarHBondContact O-N 2.87Å; K1040-V1043 PolarHBondContact O-N 2.89Å; K1040-V1044 WeakPolarHBondContact O-CG2 3.27Å; K1040-V1044 PolarHBondContact O-N 2.92Å |
| 1041 | L | 50.7 | Low | 54.2 | Low | 86 Ų | 86 | 72.5 Ų | 72.5 | 45% | 0.45 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 176.1 | -163.6 | 76.3 | 0 | 0 | 0 | 111.1 | F1037 Y1038 V1039 V1044 L1045 | F1037-L1041 PolarHBondContact O-N 3.43Å; F1037-L1041 VanDerWaalsContact O-N 3.11Å; Y1038-L1041 PolarHBondContact O-N 2.91Å; V1039-L1041 VanDerWaalsContact C-N 3.32Å; V1039-L1041 PolarHBondContact O-N 3.48Å; L1041-V1044 PolarHBondContact O-N 3.43Å; L1041-L1045 HydrophobicContact CD2-CD1 4.41Å; L1041-L1045 HydrophobicContact CG-CD1 4.02Å; L1041-L1045 WeakPolarHBondContact O-CB 3.35Å; L1041-L1045 WeakPolarHBondContact O-CD1 3.03Å; L1041-L1045 WeakPolarHBondContact O-CG 3.44Å; L1041-L1045 PolarHBondContact O-N 3.32Å |
| 1042 | V | 52.6 | Low | 56.8 | Low | 52 Ų | 52 | 73.1 Ų | 73.1 | 32% | 0.315 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 177.3 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | Y1038 V1039 V1044 L1045 I1046 | Y1038-V1042 HydrophobicContact CD1-CG2 4.31Å; Y1038-V1042 VanDerWaalsContact O-CG2 3.29Å; Y1038-V1042 WeakPolarHBondContact O-CG2 3.3Å; Y1038-V1042 PolarHBondContact O-N 3.18Å; V1039-V1042 PolarHBondContact O-N 3.28Å; V1042-V1044 PolarHBondContact O-N 2.81Å; V1042-L1045 PolarHBondContact O-N 3.36Å; V1042-I1046 HydrophobicContact CG1-CD1 3.52Å; V1042-I1046 HydrophobicContact CG1-CG1 4.36Å; V1042-I1046 WeakPolarHBondContact O-CD1 3.4Å; V1042-I1046 WeakPolarHBondContact O-CG1 3.46Å; V1042-I1046 PolarHBondContact O-N 3.42Å |
| 1043 | V | 56.9 | Low | 59.3 | Low | 7 Ų | 7 | 68.6 Ų | 68.6 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 178.1 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | E904 V907 L1006 V1039 K1040 L1045 I1046 F1047 | E904-V1043 HydrophobicContact CG-CG2 4.31Å; V907-V1043 HydrophobicContact CG1-CG2 4.42Å; L1006-V1043 HydrophobicContact CB-CG1 4.33Å; L1006-V1043 HydrophobicContact CD2-CG1 3.56Å; V1039-V1043 WeakPolarHBondContact O-CG2 3.35Å; V1039-V1043 PolarHBondContact O-N 3.4Å; K1040-V1043 PolarHBondContact O-N 2.89Å; V1043-L1045 PolarHBondContact O-N 3.01Å; V1043-I1046 PolarHBondContact O-N 2.88Å; V1043-I1046 VanDerWaalsContact O-N 3.14Å; V1043-F1047 HydrophobicContact CG1-CE2 3.91Å; V1043-F1047 HydrophobicContact CG1-CZ 4.25Å; V1043-F1047 WeakPolarHBondContact O-CD2 3.49Å |
| 1044 | V | 60 | Low | 62 | Low | 71 Ų | 71 | 61.5 Ų | 61.5 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.2 | -33.7 | 177.9 | 174 | 0 | 0 | 0 | 0 | 111.6 | K1040 L1041 V1042 I1046 | K1040-V1044 WeakPolarHBondContact O-CG2 3.27Å; K1040-V1044 PolarHBondContact O-N 2.92Å; L1041-V1044 PolarHBondContact O-N 3.43Å; V1042-V1044 PolarHBondContact O-N 2.81Å; V1044-I1046 VanDerWaalsContact C-N 3.35Å |
| 1045 | L | 61.4 | Low | 64.4 | Low | 101 Ų | 101 | 55.2 Ų | 55.2 | 53% | 0.529 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -75.6 | -18.5 | 177.3 | -71.7 | 169.3 | 0 | 0 | 0 | 113.9 | L1041 V1042 V1043 P1048 F1049 | L1041-L1045 HydrophobicContact CD2-CD1 4.41Å; L1041-L1045 HydrophobicContact CG-CD1 4.02Å; L1041-L1045 WeakPolarHBondContact O-CB 3.35Å; L1041-L1045 WeakPolarHBondContact O-CD1 3.03Å; L1041-L1045 WeakPolarHBondContact O-CG 3.44Å; L1041-L1045 PolarHBondContact O-N 3.32Å; V1042-L1045 PolarHBondContact O-N 3.36Å; V1043-L1045 PolarHBondContact O-N 3.01Å; L1045-P1048 WeakPolarHBondContact O-CD 3.08Å; L1045-F1049 VanDerWaalsContact O-CD2 3.24Å; L1045-F1049 WeakPolarHBondContact O-CD2 3.26Å; L1045-F1049 WeakPolarHBondContact O-CE2 3.39Å |
| 1046 | I | 67.6 | Low | 66.8 | Low | 16 Ų | 16 | 51.7 Ų | 51.7 | 8% | 0.082 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -85.2 | -33.6 | -177.4 | -72.3 | 162.1 | 0 | 0 | 0 | 112.4 | V907 A911 L914 V1042 V1043 V1044 P1048 F1049 E1050 | V907-I1046 HydrophobicContact CG1-CD1 3.59Å; V907-I1046 HydrophobicContact CG1-CG2 4.21Å; A911-I1046 HydrophobicContact CB-CD1 3.64Å; A911-I1046 HydrophobicContact CB-CG1 4.08Å; A911-I1046 HydrophobicContact CB-CG2 4.07Å; L914-I1046 HydrophobicContact CD1-CG2 4.44Å; V1042-I1046 HydrophobicContact CG1-CD1 3.52Å; V1042-I1046 HydrophobicContact CG1-CG1 4.36Å; V1042-I1046 WeakPolarHBondContact O-CD1 3.4Å; V1042-I1046 WeakPolarHBondContact O-CG1 3.46Å; V1042-I1046 PolarHBondContact O-N 3.42Å; V1043-I1046 PolarHBondContact O-N 2.88Å; V1043-I1046 VanDerWaalsContact O-N 3.14Å; V1044-I1046 VanDerWaalsContact C-N 3.35Å; I1046-P1048 VanDerWaalsContact C-N 3.33Å; I1046-P1048 VanDerWaalsContact O-N 3.16Å; I1046-F1049 WeakPolarHBondContact O-CA 3.4Å; I1046-F1049 WeakPolarHBondContact O-CB 3.25Å; I1046-F1049 PolarHBondContact O-N 2.69Å; I1046-E1050 HydrophobicContact CG2-CG 3.67Å; I1046-E1050 WeakPolarHBondContact CG2-OE1 3.37Å; I1046-E1050 PolarHBondContact O-N 3.43Å |
| 1047 | F | 72.5 | Confident | 68.9 | Low | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -50.5 | -40.3 | -179.2 | -73.7 | -62.5 | 0 | 0 | 0 | 115.3 | L1006 M1007 V1043 E1050 G1051 T1086 W1087 | L1006-F1047 HydrophobicContact CB-CE2 4.47Å; L1006-F1047 HydrophobicContact CB-CZ 3.97Å; L1006-F1047 HydrophobicContact CD1-CZ 4.13Å; M1007-F1047 HydrophobicContact CE-CD2 3.96Å; M1007-F1047 HydrophobicContact CE-CE2 3.89Å; V1043-F1047 HydrophobicContact CG1-CE2 3.91Å; V1043-F1047 HydrophobicContact CG1-CZ 4.25Å; V1043-F1047 WeakPolarHBondContact O-CD2 3.49Å; F1047-E1050 WeakPolarHBondContact CD1-OE2 3.18Å; F1047-G1051 PolarHBondContact O-N 2.88Å; F1047-T1086 HydrophobicContact CD1-CG2 4.25Å; F1047-T1086 HydrophobicContact CE1-CG2 4.46Å; F1047-W1087 VanDerWaalsContact O-CD1 3.29Å |
| 1048 | P | 73.5 | Confident | 70.8 | Confident | 28 Ų | 28 | 41.6 Ų | 41.6 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 173.5 | -22.1 | 32.8 | 0 | 0 | 0 | 112.7 | L1045 I1046 Q1052 Y1090 | L1045-P1048 WeakPolarHBondContact O-CD 3.08Å; I1046-P1048 VanDerWaalsContact C-N 3.33Å; I1046-P1048 VanDerWaalsContact O-N 3.16Å; P1048-Q1052 VanDerWaalsContact O-CB 3.27Å; P1048-Q1052 WeakPolarHBondContact O-CB 3.29Å; P1048-Q1052 WeakPolarHBondContact O-CG 3.28Å; P1048-Q1052 PolarHBondContact O-N 3.01Å; P1048-Y1090 HydrophobicContact CB-CD1 4.04Å; P1048-Y1090 HydrophobicContact CB-CD2 4.44Å; P1048-Y1090 HydrophobicContact CB-CE1 4.28Å; P1048-Y1090 HydrophobicContact CB-CG 4.13Å; P1048-Y1090 HydrophobicContact CG-CD1 4.08Å; P1048-Y1090 HydrophobicContact CG-CD2 4.46Å; P1048-Y1090 HydrophobicContact CG-CE1 3.8Å; P1048-Y1090 HydrophobicContact CG-CE2 4.2Å; P1048-Y1090 HydrophobicContact CG-CG 4.41Å |
| 1049 | F | 78.1 | Confident | 72.8 | Confident | 94 Ų | 94 | 36 Ų | 36 | 41% | 0.412 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -70.8 | -36.9 | -179.6 | -64.2 | -74.4 | 0 | 0 | 0 | 112.3 | L914 I916 V917 L1045 I1046 S1053 | L914-F1049 HydrophobicContact CD1-CB 4.19Å; I916-F1049 HydrophobicContact CG2-CB 4Å; I916-F1049 HydrophobicContact CG2-CD1 3.86Å; I916-F1049 HydrophobicContact CG2-CG 4.41Å; V917-F1049 HydrophobicContact CG2-CB 4.39Å; V917-F1049 HydrophobicContact CG2-CD1 4.39Å; V917-F1049 HydrophobicContact CG2-CG 4.41Å; L1045-F1049 VanDerWaalsContact O-CD2 3.24Å; L1045-F1049 WeakPolarHBondContact O-CD2 3.26Å; L1045-F1049 WeakPolarHBondContact O-CE2 3.39Å; I1046-F1049 WeakPolarHBondContact O-CA 3.4Å; I1046-F1049 WeakPolarHBondContact O-CB 3.25Å; I1046-F1049 PolarHBondContact O-N 2.69Å; F1049-S1053 WeakPolarHBondContact O-CB 3.26Å; F1049-S1053 PolarHBondContact O-N 2.63Å; F1049-S1053 PolarHBondContact O-OG 2.83Å |
| 1050 | E | 79 | Confident | 74.5 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.3 | -53.5 | 171.9 | -69.3 | 175.7 | 176 | 0 | 0 | 110.9 | L914 L995 I1046 F1047 Q1052 S1053 L1054 | L914-E1050 HydrophobicContact CD1-CG 4.01Å; L995-E1050 HydrophobicContact CB-CG 3.89Å; L995-E1050 HydrophobicContact CD1-CG 4.34Å; I1046-E1050 HydrophobicContact CG2-CG 3.67Å; I1046-E1050 WeakPolarHBondContact CG2-OE1 3.37Å; I1046-E1050 PolarHBondContact O-N 3.43Å; F1047-E1050 WeakPolarHBondContact CD1-OE2 3.18Å; E1050-Q1052 VanDerWaalsContact C-N 3.32Å; E1050-Q1052 PolarHBondContact O-N 2.97Å; E1050-S1053 PolarHBondContact O-N 2.78Å; E1050-L1054 WeakPolarHBondContact O-CG 3.4Å; E1050-L1054 PolarHBondContact O-N 2.98Å |
| 1051 | G | 80.1 | Confident | 75.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1047 F1055 | F1047-G1051 PolarHBondContact O-N 2.88Å; G1051-F1055 WeakPolarHBondContact O-CB 3.25Å; G1051-F1055 PolarHBondContact O-N 3.44Å |
| 1052 | Q | 84.3 | Confident | 77.2 | Confident | 75 Ų | 75 | 37 Ų | 37 | 35% | 0.35 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.7 | -40.6 | 175.7 | -77.4 | -177.7 | -4.7 | 0 | 0 | 112.5 | I916 P1048 E1050 L1054 F1055 E1056 | I916-Q1052 HydrophobicContact CD1-CB 3.72Å; I916-Q1052 VanDerWaalsContact CD1-OE1 3.3Å; P1048-Q1052 VanDerWaalsContact O-CB 3.27Å; P1048-Q1052 WeakPolarHBondContact O-CB 3.29Å; P1048-Q1052 WeakPolarHBondContact O-CG 3.28Å; P1048-Q1052 PolarHBondContact O-N 3.01Å; E1050-Q1052 VanDerWaalsContact C-N 3.32Å; E1050-Q1052 PolarHBondContact O-N 2.97Å; Q1052-L1054 PolarHBondContact O-N 3.42Å; Q1052-F1055 PolarHBondContact O-N 3.21Å; Q1052-E1056 VanDerWaalsContact O-CB 3.26Å; Q1052-E1056 WeakPolarHBondContact O-CB 3.42Å; Q1052-E1056 PolarHBondContact O-N 3.02Å |
| 1053 | S | 87 | Confident | 78.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | I916 F1049 E1050 C1057 | I916-S1053 VanDerWaalsContact CG2-OG 3.27Å; I916-S1053 WeakPolarHBondContact CG2-OG 3.26Å; F1049-S1053 WeakPolarHBondContact O-CB 3.26Å; F1049-S1053 PolarHBondContact O-N 2.63Å; F1049-S1053 PolarHBondContact O-OG 2.83Å; E1050-S1053 PolarHBondContact O-N 2.78Å; S1053-C1057 PolarHBondContact O-N 3.38Å; S1053-C1057 PolarHBondContact O-SG 3.08Å |
| 1054 | L | 88.3 | Confident | 79.3 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 174.4 | -70.9 | 174.3 | 0 | 0 | 0 | 111.5 | T992 E1050 Q1052 C1057 V1058 C1076 L1079 L1080 W1087 | T992-L1054 HydrophobicContact CG2-CD2 3.85Å; E1050-L1054 WeakPolarHBondContact O-CG 3.4Å; E1050-L1054 PolarHBondContact O-N 2.98Å; Q1052-L1054 PolarHBondContact O-N 3.42Å; L1054-C1057 WeakPolarHBondContact O-CB 3.49Å; L1054-C1057 PolarHBondContact O-N 3.09Å; L1054-V1058 PolarHBondContact O-N 2.92Å; L1054-C1076 HydrophobicContact CD2-CB 4.03Å; L1054-L1079 HydrophobicContact CD1-CB 4.43Å; L1054-L1079 HydrophobicContact CD2-CB 4.3Å; L1054-L1079 HydrophobicContact CD2-CD1 4.31Å; L1054-L1080 HydrophobicContact CB-CD1 4.22Å; L1054-L1080 HydrophobicContact CB-CD2 3.58Å; L1054-L1080 HydrophobicContact CB-CG 3.73Å; L1054-L1080 HydrophobicContact CD1-CD2 4.18Å; L1054-L1080 HydrophobicContact CD1-CG 4.45Å; L1054-W1087 HydrophobicContact CD1-CD2 4.42Å; L1054-W1087 HydrophobicContact CD1-CE3 4.23Å; L1054-W1087 HydrophobicContact CD1-CH2 3.47Å; L1054-W1087 VanDerWaalsContact CD1-CH2 3.47Å; L1054-W1087 HydrophobicContact CD1-CZ2 3.71Å; L1054-W1087 HydrophobicContact CD1-CZ3 3.76Å |
| 1055 | F | 88 | Confident | 79.9 | Confident | 21 Ų | 21 | 40.3 Ų | 40.3 | 9% | 0.092 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 179.6 | 176.4 | -97.2 | 0 | 0 | 0 | 111.8 | G1051 Q1052 C1057 V1058 I1059 L1091 D1092 K1095 L1096 | G1051-F1055 WeakPolarHBondContact O-CB 3.25Å; G1051-F1055 PolarHBondContact O-N 3.44Å; Q1052-F1055 PolarHBondContact O-N 3.21Å; F1055-C1057 VanDerWaalsContact C-N 3.32Å; F1055-C1057 PolarHBondContact O-N 3.23Å; F1055-V1058 PolarHBondContact O-N 3.23Å; F1055-I1059 HydrophobicContact CD1-CD1 3.86Å; F1055-I1059 HydrophobicContact CD1-CG1 4.07Å; F1055-I1059 HydrophobicContact CD1-CG2 4.44Å; F1055-I1059 HydrophobicContact CD2-CG2 4.34Å; F1055-I1059 HydrophobicContact CE1-CD1 3.35Å; F1055-I1059 HydrophobicContact CE1-CG1 3.98Å; F1055-I1059 HydrophobicContact CE1-CG2 4.16Å; F1055-I1059 HydrophobicContact CE2-CG2 4.05Å; F1055-I1059 HydrophobicContact CZ-CD1 4.03Å; F1055-I1059 HydrophobicContact CZ-CG2 3.96Å; F1055-I1059 WeakPolarHBondContact O-CG1 3.44Å; F1055-I1059 PolarHBondContact O-N 3.38Å; F1055-L1091 HydrophobicContact CB-CD2 3.51Å; F1055-L1091 HydrophobicContact CD1-CD2 4.48Å; F1055-L1091 HydrophobicContact CD2-CB 4.45Å; F1055-L1091 HydrophobicContact CD2-CD2 3.74Å; F1055-L1091 HydrophobicContact CD2-CG 4.45Å; F1055-L1091 HydrophobicContact CG-CD2 3.69Å; F1055-D1092 HydrophobicContact CZ-CB 4.49Å; F1055-K1095 HydrophobicContact CE2-CB 4.37Å; F1055-K1095 HydrophobicContact CZ-CB 3.75Å; F1055-K1095 HydrophobicContact CZ-CD 4.4Å; F1055-L1096 HydrophobicContact CD2-CB 4.44Å; F1055-L1096 HydrophobicContact CD2-CD1 4.33Å; F1055-L1096 HydrophobicContact CE2-CB 3.99Å |
| 1056 | E | 87.5 | Confident | 80.9 | Confident | 60 Ų | 60 | 35.5 Ų | 35.5 | 28% | 0.28 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 177.3 | -159.7 | 62 | -150.5 | 0 | 0 | 110.5 | F925 Q1052 V1058 I1059 H1060 | F925-E1056 HydrophobicContact CD1-CG 4.06Å; F925-E1056 HydrophobicContact CD2-CB 4.27Å; F925-E1056 HydrophobicContact CD2-CG 3.81Å; F925-E1056 HydrophobicContact CE1-CB 4.15Å; F925-E1056 HydrophobicContact CE1-CG 4.08Å; F925-E1056 HydrophobicContact CE2-CB 3.71Å; F925-E1056 HydrophobicContact CE2-CG 3.78Å; F925-E1056 HydrophobicContact CG-CG 3.95Å; F925-E1056 HydrophobicContact CZ-CB 3.67Å; F925-E1056 HydrophobicContact CZ-CG 3.94Å; Q1052-E1056 VanDerWaalsContact O-CB 3.26Å; Q1052-E1056 WeakPolarHBondContact O-CB 3.42Å; Q1052-E1056 PolarHBondContact O-N 3.02Å; E1056-V1058 PolarHBondContact O-N 2.99Å; E1056-V1058 VanDerWaalsContact O-N 3.08Å; E1056-I1059 PolarHBondContact O-N 3.23Å; E1056-I1059 WeakPolarHBondContact OE2-CD1 3.2Å; E1056-H1060 HydrophobicContact CG-CB 4.5Å; E1056-H1060 WeakPolarHBondContact O-CB 3.37Å; E1056-H1060 PolarHBondContact O-N 2.85Å; E1056-H1060 IonicContact OE1-CD2 3.25Å |
| 1057 | C | 89 | Confident | 81.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.3 | -32.3 | 172.8 | -74.6 | 0 | 0 | 0 | 0 | 113.7 | F925 S1053 L1054 F1055 R1073 C1076 | F925-C1057 HydrophobicContact CE1-CB 4.46Å; F925-C1057 VanDerWaalsContact CZ-SG 3.56Å; S1053-C1057 PolarHBondContact O-N 3.38Å; S1053-C1057 PolarHBondContact O-SG 3.08Å; L1054-C1057 WeakPolarHBondContact O-CB 3.49Å; L1054-C1057 PolarHBondContact O-N 3.09Å; F1055-C1057 VanDerWaalsContact C-N 3.32Å; F1055-C1057 PolarHBondContact O-N 3.23Å; C1057-R1073 WeakPolarHBondContact O-CG 3.22Å; C1057-C1076 HydrophobicContact CB-CB 3.81Å; C1057-C1076 VanDerWaalsContact CB-SG 3.58Å |
| 1058 | V | 87.4 | Confident | 82 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -84.9 | -43 | -179.4 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | L1054 F1055 E1056 R1073 C1076 I1077 L1080 L1096 P1099 L1100 M1103 | L1054-V1058 PolarHBondContact O-N 2.92Å; F1055-V1058 PolarHBondContact O-N 3.23Å; E1056-V1058 PolarHBondContact O-N 2.99Å; E1056-V1058 VanDerWaalsContact O-N 3.08Å; V1058-R1073 PolarHBondContact O-NH1 3.25Å; V1058-C1076 HydrophobicContact CG2-CB 4.17Å; V1058-I1077 HydrophobicContact CB-CG1 4.46Å; V1058-I1077 HydrophobicContact CG1-CG1 4.09Å; V1058-I1077 HydrophobicContact CG2-CG1 3.56Å; V1058-L1080 HydrophobicContact CB-CD1 4.18Å; V1058-L1080 HydrophobicContact CG2-CD1 3.49Å; V1058-L1080 VanDerWaalsContact CG2-CD1 3.49Å; V1058-L1096 HydrophobicContact CB-CD1 4.43Å; V1058-L1096 HydrophobicContact CG1-CD1 3.95Å; V1058-P1099 HydrophobicContact CG1-CB 4.35Å; V1058-L1100 HydrophobicContact CG1-CD2 4.11Å; V1058-M1103 HydrophobicContact CG1-CE 4.11Å |
| 1059 | I | 85.1 | Confident | 82.5 | Confident | 48 Ų | 48 | 44 Ų | 44 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -85.2 | -23.8 | -173.9 | 67.2 | 153.7 | 0 | 0 | 0 | 113.4 | F1055 E1056 P1099 | F1055-I1059 HydrophobicContact CD1-CD1 3.86Å; F1055-I1059 HydrophobicContact CD1-CG1 4.07Å; F1055-I1059 HydrophobicContact CD1-CG2 4.44Å; F1055-I1059 HydrophobicContact CD2-CG2 4.34Å; F1055-I1059 HydrophobicContact CE1-CD1 3.35Å; F1055-I1059 HydrophobicContact CE1-CG1 3.98Å; F1055-I1059 HydrophobicContact CE1-CG2 4.16Å; F1055-I1059 HydrophobicContact CE2-CG2 4.05Å; F1055-I1059 HydrophobicContact CZ-CD1 4.03Å; F1055-I1059 HydrophobicContact CZ-CG2 3.96Å; F1055-I1059 WeakPolarHBondContact O-CG1 3.44Å; F1055-I1059 PolarHBondContact O-N 3.38Å; E1056-I1059 PolarHBondContact O-N 3.23Å; E1056-I1059 WeakPolarHBondContact OE2-CD1 3.2Å; I1059-P1099 HydrophobicContact CG2-CG 4.23Å |
| 1060 | H | 84.5 | Confident | 83 | Confident | 30 Ų | 30 | 40.3 Ų | 40.3 | 14% | 0.139 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -62.9 | 136 | -173.3 | -166.3 | -77.3 | 0 | 0 | 0 | 110.6 | F925 E1056 L1066 R1073 | F925-H1060 HydrophobicContact CD1-CB 4.42Å; F925-H1060 AromaticContact CD1-CD2 4Å; E1056-H1060 HydrophobicContact CG-CB 4.5Å; E1056-H1060 WeakPolarHBondContact O-CB 3.37Å; E1056-H1060 PolarHBondContact O-N 2.85Å; E1056-H1060 IonicContact OE1-CD2 3.25Å; H1060-L1066 HydrophobicContact CB-CD2 4.43Å; H1060-R1073 PolarHBondContact O-NH1 3.24Å; H1060-R1073 PolarHBondContact O-NH2 3.21Å |
| 1061 | P | 80.1 | Confident | 83.5 | Confident | 85 Ų | 85 | 42.1 Ų | 42.1 | 55% | 0.552 | 23% | 0.232 | S | C | * | . | P | Polyproline II helix | trans | -56.6 | 147.1 | 176.3 | 23.6 | -33.9 | 0 | 0 | 0 | 110.6 | N1063 | P1061-N1063 PolarHBondContact O-N 3.11Š|
| 1062 | P | 77.7 | Confident | 84 | Confident | 79 Ų | 79 | 42.3 Ų | 42.3 | 51% | 0.513 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -62.5 | 131.6 | 179.1 | 27.6 | -33.9 | 0 | 0 | 0 | 110.1 | L1068 | P1062-L1068 HydrophobicContact CB-CB 4.03Å; P1062-L1068 HydrophobicContact CG-CB 4.48Å |
| 1063 | N | 80.2 | Confident | 84.4 | Confident | 36 Ų | 36 | 39 Ų | 39 | 19% | 0.193 | 22% | 0.217 | C | C | . | . | trans | -133.3 | 178 | 172.5 | 65.9 | 11.7 | 0 | 0 | 0 | 108.8 | P1061 A1065 L1066 | P1061-N1063 PolarHBondContact O-N 3.11Å; N1063-A1065 PolarHBondContact O-N 3Å; N1063-A1065 PolarHBondContact OD1-N 3.42Å; N1063-L1066 PolarHBondContact N-O 3.46Å; N1063-L1066 CarbonylContact O-C 3.5Å; N1063-L1066 PolarHBondContact O-N 2.82Å; N1063-L1066 WeakPolarHBondContact OD1-CA 3.49Å; N1063-L1066 WeakPolarHBondContact OD1-CB 3.35Å; N1063-L1066 PolarHBondContact OD1-N 2.85Å | ||
| 1064 | D | 73.2 | Confident | 84.7 | Confident | 136 Ų | 136 | 39.4 Ų | 39.4 | 73% | 0.727 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -61.6 | -29.7 | -177.8 | -61.1 | -26 | 0 | 0 | 0 | 113.1 | ||
| 1065 | A | 73.9 | Confident | 85 | Confident | 26 Ų | 26 | 39.4 Ų | 39.4 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -82.4 | -30.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | L924 N1063 | L924-A1065 HydrophobicContact CD1-CB 4.18Å; N1063-A1065 PolarHBondContact O-N 3Å; N1063-A1065 PolarHBondContact OD1-N 3.42Å |
| 1066 | L | 83.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -135.7 | 75.4 | -177.2 | -172.5 | 70.9 | 0 | 0 | 0 | 110.4 | L924 F925 H1060 N1063 L1072 R1073 | L924-L1066 HydrophobicContact CD2-CD1 4.21Å; F925-L1066 HydrophobicContact CE1-CD2 4.2Å; H1060-L1066 HydrophobicContact CB-CD2 4.43Å; N1063-L1066 PolarHBondContact N-O 3.46Å; N1063-L1066 CarbonylContact O-C 3.5Å; N1063-L1066 PolarHBondContact O-N 2.82Å; N1063-L1066 WeakPolarHBondContact OD1-CA 3.49Å; N1063-L1066 WeakPolarHBondContact OD1-CB 3.35Å; N1063-L1066 PolarHBondContact OD1-N 2.85Å; L1066-L1072 HydrophobicContact CD1-CB 4.42Å; L1066-L1072 HydrophobicContact CD1-CD2 3.93Å; L1066-L1072 HydrophobicContact CD1-CG 4.34Å; L1066-R1073 HydrophobicContact CD1-CB 4.24Å; L1066-R1073 PolarHBondContact O-NH2 3.35Å |
| 1067 | P | 83.4 | Confident | 85.6 | Confident | 62 Ų | 62 | 35.6 Ų | 35.6 | 40% | 0.403 | 20% | 0.202 | S | C | . | . | trans | -56.2 | 161.4 | 175.4 | -26 | 33.8 | 0 | 0 | 0 | 113.4 | Y1069 S1070 R1073 | P1067-Y1069 VanDerWaalsContact C-N 3.26Å; P1067-Y1069 PolarHBondContact O-N 3.11Å; P1067-S1070 PolarHBondContact O-N 2.86Å; P1067-S1070 PolarHBondContact O-OG 2.84Å; P1067-R1073 PolarHBondContact O-NE 3.07Å | ||
| 1068 | L | 78.9 | Confident | 85.8 | Confident | 65 Ų | 65 | 36.4 Ų | 36.4 | 34% | 0.34 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -33.8 | -178.8 | -174.4 | 64 | 0 | 0 | 0 | 113.2 | P1062 R1073 | P1062-L1068 HydrophobicContact CB-CB 4.03Å; P1062-L1068 HydrophobicContact CG-CB 4.48Å; L1068-R1073 VanDerWaalsContact O-CD 3.31Å; L1068-R1073 WeakPolarHBondContact O-CD 3.24Å |
| 1069 | Y | 83.8 | Confident | 86.1 | Confident | 99 Ų | 99 | 36.4 Ų | 36.4 | 39% | 0.388 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 46.1 | -179.6 | -54.5 | -62.1 | 0 | 0 | 0 | 111.3 | P1067 A1123 T1126 | P1067-Y1069 VanDerWaalsContact C-N 3.26Å; P1067-Y1069 PolarHBondContact O-N 3.11Å; Y1069-A1123 HydrophobicContact CD1-CB 3.92Å; Y1069-A1123 HydrophobicContact CD2-CB 4.06Å; Y1069-A1123 HydrophobicContact CE1-CB 3.81Å; Y1069-A1123 HydrophobicContact CE2-CB 3.96Å; Y1069-A1123 HydrophobicContact CG-CB 4.03Å; Y1069-T1126 HydrophobicContact CD1-CG2 4.31Å |
| 1070 | S | 88.8 | Confident | 86.4 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 12% | 0.119 | 20% | 0.195 | C | C | . | . | trans | -79.7 | 152.8 | 176.4 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | P1067 L1072 R1073 R1074 | P1067-S1070 PolarHBondContact O-N 2.86Å; P1067-S1070 PolarHBondContact O-OG 2.84Å; S1070-L1072 VanDerWaalsContact C-N 3.34Å; S1070-L1072 PolarHBondContact O-N 2.74Å; S1070-R1073 PolarHBondContact O-N 2.98Å; S1070-R1073 WeakPolarHBondContact OG-CB 3.45Å; S1070-R1073 PolarHBondContact OG-N 3.39Å; S1070-R1073 VanDerWaalsContact OG-N 3.11Å; S1070-R1074 WeakPolarHBondContact O-CB 3.46Å; S1070-R1074 PolarHBondContact O-N 3.41Å; S1070-R1074 VanDerWaalsContact O-N 3.08Å | ||
| 1071 | S | 89 | Confident | 86.6 | Confident | 43 Ų | 43 | 33 Ų | 33 | 30% | 0.301 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.1 | -46.1 | 173 | 37.9 | 0 | 0 | 0 | 0 | 112.1 | Q877 R1074 S1075 | Q877-S1071 WeakPolarHBondContact O-CB 3.43Å; S1071-R1074 PolarHBondContact O-N 2.91Å; S1071-S1075 PolarHBondContact O-N 3.38Å; S1071-S1075 PolarHBondContact O-OG 3.06Å |
| 1072 | L | 91.7 | Very high | 87.1 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -51.5 | 176.7 | 176.9 | 64.4 | 0 | 0 | 0 | 111.8 | Q877 L924 E989 T992 V993 L1066 S1070 R1074 S1075 C1076 | Q877-L1072 VanDerWaalsContact OE1-CA 3.25Å; Q877-L1072 VanDerWaalsContact OE1-CB 3.29Å; Q877-L1072 VanDerWaalsContact OE1-CD1 3.3Å; L924-L1072 HydrophobicContact CD2-CD2 3.36Å; E989-L1072 HydrophobicContact CB-CD1 4.36Å; E989-L1072 HydrophobicContact CB-CD2 4.48Å; E989-L1072 HydrophobicContact CG-CD2 4.03Å; T992-L1072 HydrophobicContact CG2-CD1 4.41Å; V993-L1072 HydrophobicContact CG2-CD1 3.93Å; L1066-L1072 HydrophobicContact CD1-CB 4.42Å; L1066-L1072 HydrophobicContact CD1-CD2 3.93Å; L1066-L1072 HydrophobicContact CD1-CG 4.34Å; S1070-L1072 VanDerWaalsContact C-N 3.34Å; S1070-L1072 PolarHBondContact O-N 2.74Å; L1072-R1074 VanDerWaalsContact C-N 3.25Å; L1072-R1074 PolarHBondContact O-N 2.83Å; L1072-S1075 PolarHBondContact O-N 2.78Å; L1072-C1076 PolarHBondContact O-N 3.34Å; L1072-C1076 PolarHBondContact O-SG 3.33Å |
| 1073 | R | 92.3 | Very high | 87.6 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.5 | -43.3 | -178.8 | -174.4 | 179.4 | -63.2 | -124.5 | 1.9 | 110.5 | C1057 V1058 H1060 L1066 P1067 L1068 S1070 C1076 I1077 | C1057-R1073 WeakPolarHBondContact O-CG 3.22Å; V1058-R1073 PolarHBondContact O-NH1 3.25Å; H1060-R1073 PolarHBondContact O-NH1 3.24Å; H1060-R1073 PolarHBondContact O-NH2 3.21Å; L1066-R1073 HydrophobicContact CD1-CB 4.24Å; L1066-R1073 PolarHBondContact O-NH2 3.35Å; P1067-R1073 PolarHBondContact O-NE 3.07Å; L1068-R1073 VanDerWaalsContact O-CD 3.31Å; L1068-R1073 WeakPolarHBondContact O-CD 3.24Å; S1070-R1073 PolarHBondContact O-N 2.98Å; S1070-R1073 WeakPolarHBondContact OG-CB 3.45Å; S1070-R1073 PolarHBondContact OG-N 3.39Å; S1070-R1073 VanDerWaalsContact OG-N 3.11Å; R1073-C1076 PolarHBondContact O-N 3.23Å; R1073-I1077 HydrophobicContact CG-CD1 4.25Å; R1073-I1077 VanDerWaalsContact O-CG1 3.22Å; R1073-I1077 WeakPolarHBondContact O-CG1 3.42Å; R1073-I1077 PolarHBondContact O-N 2.96Å |
| 1074 | R | 92.9 | Very high | 87.9 | Confident | 10 Ų | 10 | 28.9 Ų | 28.9 | 4% | 0.038 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 174.7 | 179.3 | -178 | 62.7 | 176.2 | -0.8 | 112.5 | Q877 D878 R884 S1070 S1071 L1072 I1077 D1078 V1129 | Q877-R1074 PolarHBondContact O-NH2 3.06Å; D878-R1074 PolarHBondContact O-NH2 3.22Å; R884-R1074 VanDerWaalsContact NH1-CD 3.3Å; R884-R1074 VanDerWaalsContact NH1-CZ 3.31Å; R884-R1074 VanDerWaalsContact NH1-NE 3.17Å; S1070-R1074 WeakPolarHBondContact O-CB 3.46Å; S1070-R1074 PolarHBondContact O-N 3.41Å; S1070-R1074 VanDerWaalsContact O-N 3.08Å; S1071-R1074 PolarHBondContact O-N 2.91Å; L1072-R1074 VanDerWaalsContact C-N 3.25Å; L1072-R1074 PolarHBondContact O-N 2.83Å; R1074-I1077 PolarHBondContact O-N 3.47Å; R1074-D1078 PolarHBondContact O-N 3.44Å; R1074-D1078 VanDerWaalsContact O-N 3.09Å; R1074-V1129 HydrophobicContact CG-CB 4.14Å; R1074-V1129 HydrophobicContact CG-CG1 4.29Å; R1074-V1129 HydrophobicContact CG-CG2 3.94Å; R1074-V1129 WeakPolarHBondContact O-CG1 3.48Å |
| 1075 | S | 93.8 | Very high | 88.5 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.014 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.1 | -40 | 175.5 | -65.4 | 0 | 0 | 0 | 0 | 112.6 | W876 Q877 S1071 L1072 I1077 D1078 L1079 | W876-S1075 PolarHBondContact O-OG 3.22Å; Q877-S1075 WeakPolarHBondContact CA-OG 3.5Å; S1071-S1075 PolarHBondContact O-N 3.38Å; S1071-S1075 PolarHBondContact O-OG 3.06Å; L1072-S1075 PolarHBondContact O-N 2.78Å; S1075-I1077 VanDerWaalsContact C-N 3.3Å; S1075-I1077 PolarHBondContact O-N 2.81Å; S1075-D1078 PolarHBondContact O-N 3.23Å; S1075-L1079 WeakPolarHBondContact O-CB 3.26Å; S1075-L1079 WeakPolarHBondContact O-CG 3.23Å; S1075-L1079 PolarHBondContact O-N 3.27Å |
| 1076 | C | 94.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.1 | -38.5 | 174.9 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | L1054 C1057 V1058 L1072 R1073 L1080 | L1054-C1076 HydrophobicContact CD2-CB 4.03Å; C1057-C1076 HydrophobicContact CB-CB 3.81Å; C1057-C1076 VanDerWaalsContact CB-SG 3.58Å; V1058-C1076 HydrophobicContact CG2-CB 4.17Å; L1072-C1076 PolarHBondContact O-N 3.34Å; L1072-C1076 PolarHBondContact O-SG 3.33Å; R1073-C1076 PolarHBondContact O-N 3.23Å; C1076-L1080 VanDerWaalsContact O-CB 3.3Å; C1076-L1080 WeakPolarHBondContact O-CB 3.13Å; C1076-L1080 VanDerWaalsContact O-CG 3.27Å; C1076-L1080 WeakPolarHBondContact O-CG 3.47Å; C1076-L1080 PolarHBondContact O-N 3.08Å |
| 1077 | I | 93.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.8 | -46.5 | 174.3 | -66.9 | 163.6 | 0 | 0 | 0 | 111.3 | V1058 R1073 R1074 S1075 G1081 L1100 M1103 T1126 V1129 A1130 A1133 | V1058-I1077 HydrophobicContact CB-CG1 4.46Å; V1058-I1077 HydrophobicContact CG1-CG1 4.09Å; V1058-I1077 HydrophobicContact CG2-CG1 3.56Å; R1073-I1077 HydrophobicContact CG-CD1 4.25Å; R1073-I1077 VanDerWaalsContact O-CG1 3.22Å; R1073-I1077 WeakPolarHBondContact O-CG1 3.42Å; R1073-I1077 PolarHBondContact O-N 2.96Å; R1074-I1077 PolarHBondContact O-N 3.47Å; S1075-I1077 VanDerWaalsContact C-N 3.3Å; S1075-I1077 PolarHBondContact O-N 2.81Å; I1077-G1081 PolarHBondContact O-N 2.85Å; I1077-L1100 HydrophobicContact CB-CD2 4.39Å; I1077-L1100 HydrophobicContact CD1-CD2 4.34Å; I1077-L1100 HydrophobicContact CG1-CD2 3.98Å; I1077-L1100 HydrophobicContact CG2-CD2 3.57Å; I1077-M1103 HydrophobicContact CD1-CE 4.07Å; I1077-M1103 HydrophobicContact CD1-SD 3.4Å; I1077-M1103 WeakPolarHBondContact CD1-SD 3.31Å; I1077-T1126 HydrophobicContact CD1-CG2 3.99Å; I1077-V1129 HydrophobicContact CB-CG1 4.19Å; I1077-V1129 HydrophobicContact CG2-CG1 3.93Å; I1077-A1130 HydrophobicContact CG2-CB 4.17Å; I1077-A1133 HydrophobicContact CG2-CB 3.69Å; I1077-A1133 WeakPolarHBondContact O-CB 3.4Å |
| 1078 | D | 92.9 | Very high | 88.9 | Confident | 17 Ų | 17 | 24.5 Ų | 24.5 | 9% | 0.091 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.5 | -50.6 | 176.6 | -175.6 | 40.7 | 0 | 0 | 0 | 111 | Q888 R1074 S1075 G1081 R1082 V1129 | Q888-D1078 PolarHBondContact NE2-OD2 3.35Å; R1074-D1078 PolarHBondContact O-N 3.44Å; R1074-D1078 VanDerWaalsContact O-N 3.09Å; S1075-D1078 PolarHBondContact O-N 3.23Å; D1078-G1081 PolarHBondContact O-N 2.77Å; D1078-R1082 VanDerWaalsContact CG-NE 3.31Å; D1078-R1082 WeakPolarHBondContact O-CG 3.5Å; D1078-R1082 PolarHBondContact O-N 2.64Å; D1078-R1082 IonicContact OD1-CZ 3.56Å; D1078-R1082 IonicContact OD1-NE 3.91Å; D1078-R1082 PolarHBondContact OD1-NE 3.02Å; D1078-R1082 IonicContact OD1-NH2 2.97Å; D1078-R1082 PolarHBondContact OD1-NH2 2.81Å; D1078-R1082 IonicContact OD2-CZ 3.21Å; D1078-R1082 IonicContact OD2-NE 2.83Å; D1078-R1082 PolarHBondContact OD2-NE 3.3Å; D1078-R1082 IonicContact OD2-NH2 3.54Å; D1078-R1082 PolarHBondContact OD2-NH2 3.46Å; D1078-V1129 HydrophobicContact CB-CG1 3.67Å |
| 1079 | L | 94.6 | Very high | 89 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | -178.1 | -68.4 | 172.2 | 0 | 0 | 0 | 112.3 | W876 V993 V997 L1054 S1075 G1081 R1082 G1083 W1087 | W876-L1079 HydrophobicContact CZ2-CD2 3.88Å; V993-L1079 HydrophobicContact CB-CD1 4.48Å; V993-L1079 HydrophobicContact CG1-CD1 4.23Å; V997-L1079 HydrophobicContact CB-CD2 4.39Å; V997-L1079 HydrophobicContact CG2-CD1 4.27Å; V997-L1079 HydrophobicContact CG2-CD2 3.6Å; L1054-L1079 HydrophobicContact CD1-CB 4.43Å; L1054-L1079 HydrophobicContact CD2-CB 4.3Å; L1054-L1079 HydrophobicContact CD2-CD1 4.31Å; S1075-L1079 WeakPolarHBondContact O-CB 3.26Å; S1075-L1079 WeakPolarHBondContact O-CG 3.23Å; S1075-L1079 PolarHBondContact O-N 3.27Å; L1079-G1081 VanDerWaalsContact C-N 3.28Å; L1079-G1081 PolarHBondContact O-N 3.21Å; L1079-R1082 PolarHBondContact O-N 2.83Å; L1079-G1083 PolarHBondContact O-N 2.86Å; L1079-W1087 WeakPolarHBondContact O-CZ3 3.32Å |
| 1080 | L | 91.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.8 | -40.5 | 174 | -79.2 | 173 | 0 | 0 | 0 | 112.1 | L1054 V1058 C1076 F1084 W1087 L1091 L1096 | L1054-L1080 HydrophobicContact CB-CD1 4.22Å; L1054-L1080 HydrophobicContact CB-CD2 3.58Å; L1054-L1080 HydrophobicContact CB-CG 3.73Å; L1054-L1080 HydrophobicContact CD1-CD2 4.18Å; L1054-L1080 HydrophobicContact CD1-CG 4.45Å; V1058-L1080 HydrophobicContact CB-CD1 4.18Å; V1058-L1080 HydrophobicContact CG2-CD1 3.49Å; V1058-L1080 VanDerWaalsContact CG2-CD1 3.49Å; C1076-L1080 VanDerWaalsContact O-CB 3.3Å; C1076-L1080 WeakPolarHBondContact O-CB 3.13Å; C1076-L1080 VanDerWaalsContact O-CG 3.27Å; C1076-L1080 WeakPolarHBondContact O-CG 3.47Å; C1076-L1080 PolarHBondContact O-N 3.08Å; L1080-F1084 VanDerWaalsContact O-CA 3.23Å; L1080-F1084 WeakPolarHBondContact O-CA 3.47Å; L1080-F1084 VanDerWaalsContact O-CB 3.28Å; L1080-F1084 WeakPolarHBondContact O-CB 3.11Å; L1080-F1084 PolarHBondContact O-N 3.23Å; L1080-W1087 HydrophobicContact CD2-CE3 4.26Å; L1080-L1091 HydrophobicContact CD2-CD1 4.05Å; L1080-L1096 HydrophobicContact CD1-CD1 4.14Å |
| 1081 | G | 89.9 | Confident | 88.6 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.7 | -51.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1077 D1078 L1079 L1136 | I1077-G1081 PolarHBondContact O-N 2.85Å; D1078-G1081 PolarHBondContact O-N 2.77Å; L1079-G1081 VanDerWaalsContact C-N 3.28Å; L1079-G1081 PolarHBondContact O-N 3.21Å; G1081-L1136 VanDerWaalsContact O-CB 3.26Å; G1081-L1136 WeakPolarHBondContact O-CB 3.22Å |
| 1082 | R | 90.2 | Very high | 88.3 | Confident | 112 Ų | 112 | 27.4 Ų | 27.4 | 42% | 0.423 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -65.6 | -45 | -178 | -68 | 174.7 | -171.3 | -130.6 | 12.7 | 113 | D1078 L1079 L1136 | D1078-R1082 VanDerWaalsContact CG-NE 3.31Å; D1078-R1082 WeakPolarHBondContact O-CG 3.5Å; D1078-R1082 PolarHBondContact O-N 2.64Å; D1078-R1082 IonicContact OD1-CZ 3.56Å; D1078-R1082 IonicContact OD1-NE 3.91Å; D1078-R1082 PolarHBondContact OD1-NE 3.02Å; D1078-R1082 IonicContact OD1-NH2 2.97Å; D1078-R1082 PolarHBondContact OD1-NH2 2.81Å; D1078-R1082 IonicContact OD2-CZ 3.21Å; D1078-R1082 IonicContact OD2-NE 2.83Å; D1078-R1082 PolarHBondContact OD2-NE 3.3Å; D1078-R1082 IonicContact OD2-NH2 3.54Å; D1078-R1082 PolarHBondContact OD2-NH2 3.46Å; L1079-R1082 PolarHBondContact O-N 2.83Å; R1082-L1136 HydrophobicContact CG-CD1 4.08Å |
| 1083 | G | 87.2 | Confident | 87.9 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 12.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | L1079 V1085 T1086 W1087 | L1079-G1083 PolarHBondContact O-N 2.86Å; G1083-V1085 PolarHBondContact O-N 2.71Å; G1083-T1086 VanDerWaalsContact O-CB 3.28Å; G1083-T1086 WeakPolarHBondContact O-CB 3.23Å; G1083-T1086 PolarHBondContact O-N 3.42Å; G1083-W1087 VanDerWaalsContact CA-CZ3 3.42Å; G1083-W1087 PolarHBondContact O-N 3.2Å |
| 1084 | F | 88.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -50.5 | -40.6 | -172.1 | 178.9 | -107.6 | 0 | 0 | 0 | 113.4 | L1080 T1086 W1087 Q1088 I1093 L1096 V1137 R1141 | L1080-F1084 VanDerWaalsContact O-CA 3.23Å; L1080-F1084 WeakPolarHBondContact O-CA 3.47Å; L1080-F1084 VanDerWaalsContact O-CB 3.28Å; L1080-F1084 WeakPolarHBondContact O-CB 3.11Å; L1080-F1084 PolarHBondContact O-N 3.23Å; F1084-T1086 VanDerWaalsContact C-N 3.27Å; F1084-T1086 PolarHBondContact O-N 3.49Å; F1084-W1087 PolarHBondContact O-N 2.66Å; F1084-Q1088 HydrophobicContact CE1-CB 4.48Å; F1084-Q1088 HydrophobicContact CE1-CG 4.15Å; F1084-Q1088 HydrophobicContact CZ-CB 4.46Å; F1084-Q1088 HydrophobicContact CZ-CG 4Å; F1084-Q1088 VanDerWaalsContact O-CB 3.3Å; F1084-Q1088 WeakPolarHBondContact O-CB 3.5Å; F1084-Q1088 PolarHBondContact O-N 3.31Å; F1084-I1093 HydrophobicContact CE2-CG1 4.26Å; F1084-I1093 HydrophobicContact CZ-CD1 3.8Å; F1084-I1093 HydrophobicContact CZ-CG1 3.83Å; F1084-L1096 HydrophobicContact CD2-CD2 4.43Å; F1084-L1096 HydrophobicContact CE2-CD2 4.3Å; F1084-V1137 HydrophobicContact CB-CG2 4.22Å; F1084-V1137 HydrophobicContact CD1-CB 4.47Å; F1084-V1137 HydrophobicContact CD1-CG1 4.22Å; F1084-V1137 HydrophobicContact CD1-CG2 4.39Å; F1084-V1137 HydrophobicContact CD2-CG1 4.24Å; F1084-V1137 HydrophobicContact CD2-CG2 3.79Å; F1084-V1137 HydrophobicContact CE1-CG1 3.91Å; F1084-V1137 HydrophobicContact CE2-CG1 3.93Å; F1084-V1137 HydrophobicContact CE2-CG2 4.24Å; F1084-V1137 HydrophobicContact CG-CB 4.43Å; F1084-V1137 HydrophobicContact CG-CG1 4.38Å; F1084-V1137 HydrophobicContact CG-CG2 3.86Å; F1084-V1137 HydrophobicContact CZ-CG1 3.75Å; F1084-R1141 HydrophobicContact CE1-CB 4.13Å; F1084-R1141 HydrophobicContact CE1-CG 4.03Å |
| 1085 | V | 83.8 | Confident | 86.6 | Confident | 85 Ų | 85 | 35.1 Ų | 35.1 | 52% | 0.515 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.8 | -34.4 | 179.9 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | G1083 | G1083-V1085 PolarHBondContact O-N 2.71Å |
| 1086 | T | 82.6 | Confident | 86.2 | Confident | 19 Ų | 19 | 35.1 Ų | 35.1 | 12% | 0.117 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.6 | -50.6 | 178.8 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | G999 N1003 F1047 G1083 F1084 | G999-T1086 PolarHBondContact O-OG1 3.49Å; G999-T1086 VanDerWaalsContact O-OG1 3.11Å; N1003-T1086 HydrophobicContact CB-CG2 4.06Å; N1003-T1086 WeakPolarHBondContact ND2-CG2 3.33Å; N1003-T1086 PolarHBondContact ND2-OG1 3.33Å; F1047-T1086 HydrophobicContact CD1-CG2 4.25Å; F1047-T1086 HydrophobicContact CE1-CG2 4.46Å; G1083-T1086 VanDerWaalsContact O-CB 3.28Å; G1083-T1086 WeakPolarHBondContact O-CB 3.23Å; G1083-T1086 PolarHBondContact O-N 3.42Å; F1084-T1086 VanDerWaalsContact C-N 3.27Å; F1084-T1086 PolarHBondContact O-N 3.49Å |
| 1087 | W | 84.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -92.8 | -10.5 | -172.4 | -56.2 | -66.7 | 0 | 0 | 0 | 114.3 | G996 F1047 L1054 L1079 L1080 G1083 F1084 P1089 Y1090 L1091 | G996-W1087 WeakPolarHBondContact O-CH2 3Å; F1047-W1087 VanDerWaalsContact O-CD1 3.29Å; L1054-W1087 HydrophobicContact CD1-CD2 4.42Å; L1054-W1087 HydrophobicContact CD1-CE3 4.23Å; L1054-W1087 HydrophobicContact CD1-CH2 3.47Å; L1054-W1087 VanDerWaalsContact CD1-CH2 3.47Å; L1054-W1087 HydrophobicContact CD1-CZ2 3.71Å; L1054-W1087 HydrophobicContact CD1-CZ3 3.76Å; L1079-W1087 WeakPolarHBondContact O-CZ3 3.32Å; L1080-W1087 HydrophobicContact CD2-CE3 4.26Å; G1083-W1087 VanDerWaalsContact CA-CZ3 3.42Å; G1083-W1087 PolarHBondContact O-N 3.2Å; F1084-W1087 PolarHBondContact O-N 2.66Å; W1087-P1089 VanDerWaalsContact C-N 3.28Å; W1087-P1089 WeakPolarHBondContact O-CD 3.39Å; W1087-Y1090 PolarHBondContact O-N 2.75Å; W1087-L1091 HydrophobicContact CB-CD1 3.84Å; W1087-L1091 HydrophobicContact CB-CG 4.13Å; W1087-L1091 WeakPolarHBondContact O-CG 3.4Å; W1087-L1091 PolarHBondContact O-N 3.3Å |
| 1088 | Q | 83 | Confident | 84.7 | Confident | 27 Ų | 27 | 36.2 Ų | 36.2 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -42 | -44.5 | -178.5 | -172 | -163.8 | 0.8 | 0 | 0 | 115 | F1084 Y1090 L1091 I1093 | F1084-Q1088 HydrophobicContact CE1-CB 4.48Å; F1084-Q1088 HydrophobicContact CE1-CG 4.15Å; F1084-Q1088 HydrophobicContact CZ-CB 4.46Å; F1084-Q1088 HydrophobicContact CZ-CG 4Å; F1084-Q1088 VanDerWaalsContact O-CB 3.3Å; F1084-Q1088 WeakPolarHBondContact O-CB 3.5Å; F1084-Q1088 PolarHBondContact O-N 3.31Å; Q1088-Y1090 PolarHBondContact O-N 3.41Å; Q1088-L1091 PolarHBondContact O-N 2.75Å; Q1088-L1091 VanDerWaalsContact O-N 3.17Å; Q1088-I1093 HydrophobicContact CG-CD1 4.43Å |
| 1089 | P | 80.9 | Confident | 84 | Confident | 98 Ų | 98 | 36.6 Ų | 36.6 | 64% | 0.636 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -59 | -21.4 | -178.3 | -23.8 | 35.9 | 0 | 0 | 0 | 114.2 | W1087 | W1087-P1089 VanDerWaalsContact C-N 3.28Å; W1087-P1089 WeakPolarHBondContact O-CD 3.39Å |
| 1090 | Y | 80.7 | Confident | 83.6 | Confident | 101 Ų | 101 | 36.8 Ų | 36.8 | 40% | 0.396 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -106.2 | -2.9 | -175.2 | -44.6 | -66.7 | 0 | 0 | 0 | 113 | P1048 W1087 Q1088 | P1048-Y1090 HydrophobicContact CB-CD1 4.04Å; P1048-Y1090 HydrophobicContact CB-CD2 4.44Å; P1048-Y1090 HydrophobicContact CB-CE1 4.28Å; P1048-Y1090 HydrophobicContact CB-CG 4.13Å; P1048-Y1090 HydrophobicContact CG-CD1 4.08Å; P1048-Y1090 HydrophobicContact CG-CD2 4.46Å; P1048-Y1090 HydrophobicContact CG-CE1 3.8Å; P1048-Y1090 HydrophobicContact CG-CE2 4.2Å; P1048-Y1090 HydrophobicContact CG-CG 4.41Å; W1087-Y1090 PolarHBondContact O-N 2.75Å; Q1088-Y1090 PolarHBondContact O-N 3.41Å |
| 1091 | L | 84.3 | Confident | 82.9 | Confident | 18 Ų | 18 | 37.3 Ų | 37.3 | 9% | 0.094 | 19% | 0.192 | C | C | . | . | trans | -112.2 | 138.2 | -172.8 | -59.8 | -176.2 | 0 | 0 | 0 | 112.8 | F1055 L1080 W1087 Q1088 I1093 | F1055-L1091 HydrophobicContact CB-CD2 3.51Å; F1055-L1091 HydrophobicContact CD1-CD2 4.48Å; F1055-L1091 HydrophobicContact CD2-CB 4.45Å; F1055-L1091 HydrophobicContact CD2-CD2 3.74Å; F1055-L1091 HydrophobicContact CD2-CG 4.45Å; F1055-L1091 HydrophobicContact CG-CD2 3.69Å; L1080-L1091 HydrophobicContact CD2-CD1 4.05Å; W1087-L1091 HydrophobicContact CB-CD1 3.84Å; W1087-L1091 HydrophobicContact CB-CG 4.13Å; W1087-L1091 WeakPolarHBondContact O-CG 3.4Å; W1087-L1091 PolarHBondContact O-N 3.3Å; Q1088-L1091 PolarHBondContact O-N 2.75Å; Q1088-L1091 VanDerWaalsContact O-N 3.17Å; L1091-I1093 PolarHBondContact O-N 3.36Å | ||
| 1092 | D | 82.6 | Confident | 82.2 | Confident | 68 Ų | 68 | 40.6 Ų | 40.6 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | trans | -85.8 | 103 | 167.3 | -173.3 | -11.1 | 0 | 0 | 0 | 110.3 | F1055 S1094 K1095 L1096 | F1055-D1092 HydrophobicContact CZ-CB 4.49Å; D1092-S1094 VanDerWaalsContact CG-OG 3.29Å; D1092-S1094 PolarHBondContact O-N 3.27Å; D1092-S1094 WeakPolarHBondContact OD1-CB 3.49Å; D1092-S1094 PolarHBondContact OD1-N 3.14Å; D1092-S1094 PolarHBondContact OD1-OG 3.28Å; D1092-S1094 PolarHBondContact OD2-OG 3.3Å; D1092-K1095 HydrophobicContact CB-CB 4.28Å; D1092-K1095 HydrophobicContact CB-CD 4.11Å; D1092-K1095 HydrophobicContact CB-CG 4.22Å; D1092-K1095 PolarHBondContact O-N 2.99Å; D1092-K1095 WeakPolarHBondContact OD2-CE 3.26Å; D1092-L1096 PolarHBondContact O-N 3.43Å | ||
| 1093 | I | 81.7 | Confident | 81.7 | Confident | 21 Ų | 21 | 35.7 Ų | 35.7 | 11% | 0.108 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.7 | -34.2 | -179.6 | -55.1 | 175.6 | 0 | 0 | 0 | 111.3 | F1084 Q1088 L1091 K1095 L1096 V1097 A1144 A1148 | F1084-I1093 HydrophobicContact CE2-CG1 4.26Å; F1084-I1093 HydrophobicContact CZ-CD1 3.8Å; F1084-I1093 HydrophobicContact CZ-CG1 3.83Å; Q1088-I1093 HydrophobicContact CG-CD1 4.43Å; L1091-I1093 PolarHBondContact O-N 3.36Å; I1093-K1095 PolarHBondContact O-N 3.27Å; I1093-L1096 PolarHBondContact O-N 3.02Å; I1093-V1097 HydrophobicContact CG2-CG2 4.06Å; I1093-V1097 VanDerWaalsContact O-CG2 3.31Å; I1093-V1097 WeakPolarHBondContact O-CG2 3.36Å; I1093-V1097 PolarHBondContact O-N 3.33Å; I1093-V1097 VanDerWaalsContact O-N 3.14Å; I1093-A1144 HydrophobicContact CD1-CB 3.59Å; I1093-A1148 HydrophobicContact CB-CB 4.25Å; I1093-A1148 HydrophobicContact CG2-CB 3.76Å |
| 1094 | S | 75.8 | Confident | 81.1 | Confident | 34 Ų | 34 | 35.6 Ų | 35.6 | 24% | 0.238 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.5 | -38.5 | -178.2 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | D1092 | D1092-S1094 VanDerWaalsContact CG-OG 3.29Å; D1092-S1094 PolarHBondContact O-N 3.27Å; D1092-S1094 WeakPolarHBondContact OD1-CB 3.49Å; D1092-S1094 PolarHBondContact OD1-N 3.14Å; D1092-S1094 PolarHBondContact OD1-OG 3.28Å; D1092-S1094 PolarHBondContact OD2-OG 3.3Å |
| 1095 | K | 83.4 | Confident | 80.1 | Confident | 125 Ų | 125 | 36.7 Ų | 36.7 | 54% | 0.543 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -72.8 | -24.6 | 175.9 | -68.6 | -178.4 | -173.5 | -178.4 | 0 | 113.5 | F1055 D1092 I1093 P1099 | F1055-K1095 HydrophobicContact CE2-CB 4.37Å; F1055-K1095 HydrophobicContact CZ-CB 3.75Å; F1055-K1095 HydrophobicContact CZ-CD 4.4Å; D1092-K1095 HydrophobicContact CB-CB 4.28Å; D1092-K1095 HydrophobicContact CB-CD 4.11Å; D1092-K1095 HydrophobicContact CB-CG 4.22Å; D1092-K1095 PolarHBondContact O-N 2.99Å; D1092-K1095 WeakPolarHBondContact OD2-CE 3.26Å; I1093-K1095 PolarHBondContact O-N 3.27Å; K1095-P1099 WeakPolarHBondContact O-CD 3.35Å |
| 1096 | L | 85.3 | Confident | 78.7 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -80.4 | -43 | 178.9 | -177 | 62.5 | 0 | 0 | 0 | 113.1 | F1055 V1058 L1080 F1084 D1092 I1093 V1098 P1099 L1100 | F1055-L1096 HydrophobicContact CD2-CB 4.44Å; F1055-L1096 HydrophobicContact CD2-CD1 4.33Å; F1055-L1096 HydrophobicContact CE2-CB 3.99Å; V1058-L1096 HydrophobicContact CB-CD1 4.43Å; V1058-L1096 HydrophobicContact CG1-CD1 3.95Å; L1080-L1096 HydrophobicContact CD1-CD1 4.14Å; F1084-L1096 HydrophobicContact CD2-CD2 4.43Å; F1084-L1096 HydrophobicContact CE2-CD2 4.3Å; D1092-L1096 PolarHBondContact O-N 3.43Å; I1093-L1096 PolarHBondContact O-N 3.02Å; L1096-V1098 PolarHBondContact O-N 2.79Å; L1096-P1099 WeakPolarHBondContact O-CD 3.49Å; L1096-L1100 HydrophobicContact CD1-CD1 4.13Å; L1096-L1100 HydrophobicContact CD1-CG 4.34Å; L1096-L1100 HydrophobicContact CD2-CD1 4.48Å; L1096-L1100 HydrophobicContact CG-CD1 3.9Å; L1096-L1100 HydrophobicContact CG-CG 4.48Å; L1096-L1100 WeakPolarHBondContact O-CG 3.15Å; L1096-L1100 PolarHBondContact O-N 3.18Å |
| 1097 | V | 80.4 | Confident | 77.5 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -34 | -172.5 | 169.9 | 0 | 0 | 0 | 0 | 111.8 | I1093 L1101 F1145 L1149 | I1093-V1097 HydrophobicContact CG2-CG2 4.06Å; I1093-V1097 VanDerWaalsContact O-CG2 3.31Å; I1093-V1097 WeakPolarHBondContact O-CG2 3.36Å; I1093-V1097 PolarHBondContact O-N 3.33Å; I1093-V1097 VanDerWaalsContact O-N 3.14Å; V1097-L1101 HydrophobicContact CG1-CD1 3.73Å; V1097-L1101 HydrophobicContact CG1-CG 4.28Å; V1097-L1101 WeakPolarHBondContact O-CB 3.32Å; V1097-L1101 WeakPolarHBondContact O-CG 3.36Å; V1097-L1101 PolarHBondContact O-N 2.88Å; V1097-F1145 HydrophobicContact CG1-CE2 4.22Å; V1097-F1145 HydrophobicContact CG2-CD2 3.84Å; V1097-F1145 HydrophobicContact CG2-CE2 3.72Å; V1097-L1149 HydrophobicContact CG1-CD1 4.06Å |
| 1098 | V | 75.6 | Confident | 76 | Confident | 21 Ų | 21 | 40.1 Ų | 40.1 | 13% | 0.127 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.8 | -57.3 | -177.2 | 167.5 | 0 | 0 | 0 | 0 | 113 | L1096 L1100 L1101 M1102 E1152 R1156 | L1096-V1098 PolarHBondContact O-N 2.79Å; V1098-L1100 VanDerWaalsContact C-N 3.26Å; V1098-L1100 PolarHBondContact O-N 3.3Å; V1098-L1101 PolarHBondContact O-N 3.49Å; V1098-M1102 HydrophobicContact CG1-CG 4.38Å; V1098-M1102 VanDerWaalsContact O-CG 3.3Å; V1098-M1102 WeakPolarHBondContact O-CG 3.37Å; V1098-M1102 PolarHBondContact O-N 3Å; V1098-E1152 HydrophobicContact CG2-CB 4.46Å; V1098-E1152 HydrophobicContact CG2-CG 3.4Å; V1098-R1156 VanDerWaalsContact CG1-NH1 3.34Å; V1098-R1156 VanDerWaalsContact CG2-NH1 3.33Å |
| 1099 | P | 79.7 | Confident | 74.4 | Confident | 25 Ų | 25 | 46 Ų | 46 | 16% | 0.162 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.3 | -39.7 | 176.5 | -28.8 | 37.1 | 0 | 0 | 0 | 113 | V1058 I1059 K1095 L1096 M1102 M1103 | V1058-P1099 HydrophobicContact CG1-CB 4.35Å; I1059-P1099 HydrophobicContact CG2-CG 4.23Å; K1095-P1099 WeakPolarHBondContact O-CD 3.35Å; L1096-P1099 WeakPolarHBondContact O-CD 3.49Å; P1099-M1102 WeakPolarHBondContact O-CB 3.15Å; P1099-M1102 PolarHBondContact O-N 2.75Å; P1099-M1103 HydrophobicContact CB-CE 3.91Å; P1099-M1103 WeakPolarHBondContact O-CG 3.39Å; P1099-M1103 PolarHBondContact O-N 2.84Å |
| 1100 | L | 85.1 | Confident | 72.8 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 177.8 | -66.9 | 179.9 | 0 | 0 | 0 | 112.1 | V1058 I1077 L1096 V1098 M1102 M1103 C1104 A1130 A1133 L1134 | V1058-L1100 HydrophobicContact CG1-CD2 4.11Å; I1077-L1100 HydrophobicContact CB-CD2 4.39Å; I1077-L1100 HydrophobicContact CD1-CD2 4.34Å; I1077-L1100 HydrophobicContact CG1-CD2 3.98Å; I1077-L1100 HydrophobicContact CG2-CD2 3.57Å; L1096-L1100 HydrophobicContact CD1-CD1 4.13Å; L1096-L1100 HydrophobicContact CD1-CG 4.34Å; L1096-L1100 HydrophobicContact CD2-CD1 4.48Å; L1096-L1100 HydrophobicContact CG-CD1 3.9Å; L1096-L1100 HydrophobicContact CG-CG 4.48Å; L1096-L1100 WeakPolarHBondContact O-CG 3.15Å; L1096-L1100 PolarHBondContact O-N 3.18Å; V1098-L1100 VanDerWaalsContact C-N 3.26Å; V1098-L1100 PolarHBondContact O-N 3.3Å; L1100-M1102 VanDerWaalsContact C-N 3.34Å; L1100-M1102 PolarHBondContact O-N 3.21Å; L1100-M1103 PolarHBondContact O-N 3.33Å; L1100-C1104 PolarHBondContact O-N 3.13Å; L1100-C1104 PolarHBondContact O-SG 2.92Å; L1100-A1130 HydrophobicContact CD2-CB 4.1Å; L1100-A1133 HydrophobicContact CD1-CB 4.49Å; L1100-L1134 HydrophobicContact CB-CD1 4.17Å; L1100-L1134 HydrophobicContact CB-CD2 3.77Å; L1100-L1134 HydrophobicContact CB-CG 3.85Å; L1100-L1134 HydrophobicContact CD1-CD2 3.92Å; L1100-L1134 HydrophobicContact CD1-CG 4.17Å |
| 1101 | L | 76.5 | Confident | 70.9 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 174.5 | -74.8 | 173 | 0 | 0 | 0 | 111.9 | V1097 V1098 M1103 C1104 A1105 L1134 L1149 N1185 I1189 | V1097-L1101 HydrophobicContact CG1-CD1 3.73Å; V1097-L1101 HydrophobicContact CG1-CG 4.28Å; V1097-L1101 WeakPolarHBondContact O-CB 3.32Å; V1097-L1101 WeakPolarHBondContact O-CG 3.36Å; V1097-L1101 PolarHBondContact O-N 2.88Å; V1098-L1101 PolarHBondContact O-N 3.49Å; L1101-M1103 VanDerWaalsContact C-N 3.29Å; L1101-M1103 PolarHBondContact O-N 3.16Å; L1101-C1104 PolarHBondContact O-N 3.37Å; L1101-A1105 PolarHBondContact O-N 3.22Å; L1101-A1105 VanDerWaalsContact O-N 3.14Å; L1101-L1134 HydrophobicContact CD2-CD1 3.78Å; L1101-L1134 HydrophobicContact CG-CD1 4.22Å; L1101-L1149 HydrophobicContact CD1-CD1 3.64Å; L1101-N1185 PolarHBondContact O-ND2 3.45Å; L1101-I1189 HydrophobicContact CD1-CD1 4.43Å; L1101-I1189 HydrophobicContact CD1-CG1 4.28Å; L1101-I1189 HydrophobicContact CD2-CD1 4.46Å; L1101-I1189 HydrophobicContact CD2-CG1 3.7Å |
| 1102 | M | 75.1 | Confident | 68.5 | Low | 71 Ų | 71 | 45.2 Ų | 45.2 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.7 | -38.4 | 175.5 | -70.8 | -65.2 | -55.3 | 0 | 0 | 112 | V1098 P1099 L1100 A1105 V1181 | V1098-M1102 HydrophobicContact CG1-CG 4.38Å; V1098-M1102 VanDerWaalsContact O-CG 3.3Å; V1098-M1102 WeakPolarHBondContact O-CG 3.37Å; V1098-M1102 PolarHBondContact O-N 3Å; P1099-M1102 WeakPolarHBondContact O-CB 3.15Å; P1099-M1102 PolarHBondContact O-N 2.75Å; L1100-M1102 VanDerWaalsContact C-N 3.34Å; L1100-M1102 PolarHBondContact O-N 3.21Å; M1102-A1105 VanDerWaalsContact O-CB 3.23Å; M1102-A1105 WeakPolarHBondContact O-CB 3.26Å; M1102-A1105 PolarHBondContact O-N 3.26Å; M1102-V1181 HydrophobicContact CE-CG2 3.7Å; M1102-V1181 HydrophobicContact SD-CB 4.04Å; M1102-V1181 HydrophobicContact SD-CG1 3.44Å; M1102-V1181 WeakPolarHBondContact SD-CG1 3.47Å; M1102-V1181 HydrophobicContact SD-CG2 3.43Å; M1102-V1181 WeakPolarHBondContact SD-CG2 3.43Å |
| 1103 | M | 79.7 | Confident | 66.4 | Low | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.6 | -29.5 | 177.5 | -69.3 | -178.6 | -132.6 | 0 | 0 | 112.9 | V1058 I1077 P1099 L1100 L1101 A1105 T1126 A1127 A1130 | V1058-M1103 HydrophobicContact CG1-CE 4.11Å; I1077-M1103 HydrophobicContact CD1-CE 4.07Å; I1077-M1103 HydrophobicContact CD1-SD 3.4Å; I1077-M1103 WeakPolarHBondContact CD1-SD 3.31Å; P1099-M1103 HydrophobicContact CB-CE 3.91Å; P1099-M1103 WeakPolarHBondContact O-CG 3.39Å; P1099-M1103 PolarHBondContact O-N 2.84Å; L1100-M1103 PolarHBondContact O-N 3.33Å; L1101-M1103 VanDerWaalsContact C-N 3.29Å; L1101-M1103 PolarHBondContact O-N 3.16Å; M1103-A1105 PolarHBondContact O-N 2.87Å; M1103-T1126 HydrophobicContact SD-CG2 3.9Å; M1103-A1127 WeakPolarHBondContact O-CB 3.4Å; M1103-A1130 HydrophobicContact CB-CB 4.1Å |
| 1104 | C | 75.3 | Confident | 64.2 | Low | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.3 | -21.3 | 169.8 | -65 | 0 | 0 | 0 | 0 | 112.7 | L1100 L1101 G1106 L1131 | L1100-C1104 PolarHBondContact O-N 3.13Å; L1100-C1104 PolarHBondContact O-SG 2.92Å; L1101-C1104 PolarHBondContact O-N 3.37Å; C1104-G1106 PolarHBondContact O-N 3.4Å; C1104-L1131 PolarHBondContact SG-N 3.03Å |
| 1105 | A | 65.8 | Low | 62.5 | Low | 25 Ų | 25 | 57.7 Ų | 57.7 | 21% | 0.207 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 119 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1101 M1102 M1103 N1185 | L1101-A1105 PolarHBondContact O-N 3.22Å; L1101-A1105 VanDerWaalsContact O-N 3.14Å; M1102-A1105 VanDerWaalsContact O-CB 3.23Å; M1102-A1105 WeakPolarHBondContact O-CB 3.26Å; M1102-A1105 PolarHBondContact O-N 3.26Å; M1103-A1105 PolarHBondContact O-N 2.87Å; A1105-N1185 WeakPolarHBondContact CA-OD1 3.18Å; A1105-N1185 WeakPolarHBondContact CB-OD1 3.21Å; A1105-N1185 PolarHBondContact N-OD1 2.97Å |
| 1106 | G | 55.6 | Low | 60.5 | Low | 32 Ų | 32 | 56.3 Ų | 56.3 | 33% | 0.33 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 112.1 | -4.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | C1104 E1108 Q1109 T1110 | C1104-G1106 PolarHBondContact O-N 3.4Å; G1106-E1108 PolarHBondContact O-N 2.76Å; G1106-E1108 VanDerWaalsContact O-N 3.16Å; G1106-Q1109 PolarHBondContact O-N 3.01Å; G1106-T1110 PolarHBondContact O-N 3.36Å; G1106-T1110 PolarHBondContact O-OG1 3.1Å |
| 1107 | I | 57.7 | Low | 58.5 | Low | 20 Ų | 20 | 60.8 Ų | 60.8 | 10% | 0.103 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -49.1 | -43.3 | 172.9 | -73.7 | 176.2 | 0 | 0 | 0 | 110.7 | Q1109 T1110 Y1111 A1127 | I1107-Q1109 PolarHBondContact O-N 3.48Å; I1107-T1110 WeakPolarHBondContact CA-OG1 3.42Å; I1107-T1110 PolarHBondContact O-N 3.48Å; I1107-T1110 PolarHBondContact O-OG1 3.11Å; I1107-Y1111 HydrophobicContact CG2-CD2 3.74Å; I1107-Y1111 HydrophobicContact CG2-CE2 3.73Å; I1107-Y1111 VanDerWaalsContact O-CD2 3.27Å; I1107-Y1111 WeakPolarHBondContact O-CD2 3.48Å; I1107-Y1111 PolarHBondContact O-N 3.41Å; I1107-A1127 HydrophobicContact CD1-CB 3.54Å; I1107-A1127 HydrophobicContact CG1-CB 3.36Å |
| 1108 | E | 52 | Low | 56.9 | Low | 124 Ų | 124 | 63.1 Ų | 63.1 | 58% | 0.579 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.4 | -35 | 179.8 | -65.2 | -173 | 170.7 | 0 | 0 | 113.7 | G1106 T1110 Y1111 | G1106-E1108 PolarHBondContact O-N 2.76Å; G1106-E1108 VanDerWaalsContact O-N 3.16Å; E1108-T1110 VanDerWaalsContact C-N 3.32Å; E1108-Y1111 PolarHBondContact O-N 2.89Å |
| 1109 | Q | 50 | Low | 55.8 | Low | 150 Ų | 150 | 66.2 Ų | 66.2 | 70% | 0.701 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -73 | -27.5 | 177.2 | -70.1 | -173.1 | -6.8 | 0 | 0 | 112.1 | G1106 I1107 Y1111 | G1106-Q1109 PolarHBondContact O-N 3.01Å; I1107-Q1109 PolarHBondContact O-N 3.48Å; Q1109-Y1111 VanDerWaalsContact C-N 3.33Å |
| 1110 | T | 46 | Very low | 54.9 | Low | 37 Ų | 37 | 67.7 Ų | 67.7 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -80.3 | -10.5 | 174.2 | 47.8 | 0 | 0 | 0 | 0 | 114 | G1106 I1107 E1108 P1112 | G1106-T1110 PolarHBondContact O-N 3.36Å; G1106-T1110 PolarHBondContact O-OG1 3.1Å; I1107-T1110 WeakPolarHBondContact CA-OG1 3.42Å; I1107-T1110 PolarHBondContact O-N 3.48Å; I1107-T1110 PolarHBondContact O-OG1 3.11Å; E1108-T1110 VanDerWaalsContact C-N 3.32Å; T1110-P1112 VanDerWaalsContact C-CD 3.41Å; T1110-P1112 WeakPolarHBondContact O-CD 3.36Å |
| 1111 | Y | 40.5 | Very low | 54.2 | Low | 90 Ų | 90 | 69.8 Ų | 69.8 | 35% | 0.353 | 39% | 0.391 | S | S | . | . | trans | -106.2 | 81.5 | 171.8 | -79.6 | -78.6 | 0 | 0 | 0 | 110.9 | I1107 E1108 Q1109 S1113 T1124 K1128 | I1107-Y1111 HydrophobicContact CG2-CD2 3.74Å; I1107-Y1111 HydrophobicContact CG2-CE2 3.73Å; I1107-Y1111 VanDerWaalsContact O-CD2 3.27Å; I1107-Y1111 WeakPolarHBondContact O-CD2 3.48Å; I1107-Y1111 PolarHBondContact O-N 3.41Å; E1108-Y1111 PolarHBondContact O-N 2.89Å; Q1109-Y1111 VanDerWaalsContact C-N 3.33Å; Y1111-S1113 PolarHBondContact O-N 2.88Å; Y1111-T1124 HydrophobicContact CE2-CG2 4.38Å; Y1111-K1128 WeakPolarHBondContact OH-CE 3.33Å; Y1111-K1128 PolarHBondContact OH-NZ 3.4Å; Y1111-K1128 VanDerWaalsContact OH-NZ 3.17Å | ||
| 1112 | P | 34.9 | Very low | 54.1 | Low | 74 Ų | 74 | 71.4 Ų | 71.4 | 48% | 0.481 | 41% | 0.406 | S | S | . | . | trans | -60 | 135.9 | 154.9 | 27.4 | -29.2 | 0 | 0 | 0 | 107.8 | T1110 G1114 R1115 | T1110-P1112 VanDerWaalsContact C-CD 3.41Å; T1110-P1112 WeakPolarHBondContact O-CD 3.36Å; P1112-G1114 PolarHBondContact O-N 3.29Å; P1112-R1115 PolarHBondContact O-N 3.19Å | ||
| 1113 | S | 37.4 | Very low | 54.3 | Low | 138 Ų | 138 | 69.3 Ų | 69.3 | 97% | 0.965 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 53.9 | -164.2 | -44.6 | 0 | 0 | 0 | 0 | 117.3 | Y1111 | Y1111-S1113 PolarHBondContact O-N 2.88Š|
| 1114 | G | 36.6 | Very low | 54.1 | Low | 72 Ų | 72 | 69.1 Ų | 69.1 | 74% | 0.742 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 153.3 | 14.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | P1112 | P1112-G1114 PolarHBondContact O-N 3.29Š|
| 1115 | R | 39.8 | Very low | 54.4 | Low | 175 Ų | 175 | 70.1 Ų | 70.1 | 66% | 0.66 | 40% | 0.404 | S | S | * | . | trans | -134.5 | 94.8 | -172.2 | -68.7 | -178.6 | -179.7 | 177.4 | -1.3 | 112.1 | P1112 H1117 | P1112-R1115 PolarHBondContact O-N 3.19Å; R1115-H1117 PolarHBondContact O-N 3.34Å | ||
| 1116 | N | 40.7 | Very low | 55.3 | Low | 96 Ų | 96 | 69 Ų | 69 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | trans | -67.9 | 84.1 | 164.1 | -70.2 | -22.4 | 0 | 0 | 0 | 108.3 | L1118 | N1116-L1118 VanDerWaalsContact C-N 3.34Å; N1116-L1118 PolarHBondContact O-N 3.39Å | ||
| 1117 | H | 44.1 | Very low | 56.7 | Low | 95 Ų | 95 | 67.6 Ų | 67.6 | 44% | 0.44 | 38% | 0.38 | S | S | . | . | trans | -58 | 102.5 | 159.7 | 50.3 | 8.9 | 0 | 0 | 0 | 107.6 | R1115 P1119 Q1120 | R1115-H1117 PolarHBondContact O-N 3.34Å; H1117-P1119 CarbonylContact O-C 3.4Å; H1117-P1119 VanDerWaalsContact O-C 3.3Å; H1117-Q1120 PolarHBondContact O-N 3.02Å | ||
| 1118 | L | 47.9 | Very low | 57.9 | Low | 53 Ų | 53 | 70.2 Ų | 70.2 | 28% | 0.277 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -89 | 139.1 | 163.6 | -84.5 | 141.5 | 0 | 0 | 0 | 107.4 | L647 H651 N1116 | L647-L1118 HydrophobicContact CB-CD1 4.2Å; L647-L1118 HydrophobicContact CD1-CD2 3.99Å; H651-L1118 WeakPolarHBondContact CE1-CD1 3.42Å; H651-L1118 WeakPolarHBondContact NE2-CD1 3.41Å; N1116-L1118 VanDerWaalsContact C-N 3.34Å; N1116-L1118 PolarHBondContact O-N 3.39Å |
| 1119 | P | 51.2 | Low | 59.7 | Low | 86 Ų | 86 | 65.2 Ų | 65.2 | 56% | 0.558 | 37% | 0.369 | S | S | * | . | S | Bend | cis | -69.3 | 143.3 | -6.4 | 28.1 | -32.9 | 0 | 0 | 0 | 112.3 | H1117 | H1117-P1119 CarbonylContact O-C 3.4Å; H1117-P1119 VanDerWaalsContact O-C 3.3Å |
| 1120 | Q | 61.9 | Low | 61.6 | Low | 56 Ų | 56 | 58 Ų | 58 | 26% | 0.262 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 142.2 | 173.8 | -71 | -179.1 | 53.2 | 0 | 0 | 110.1 | H1117 E1125 K1128 | H1117-Q1120 PolarHBondContact O-N 3.02Å; Q1120-E1125 HydrophobicContact CB-CG 4.01Å; Q1120-E1125 PolarHBondContact NE2-OE1 3.5Å; Q1120-E1125 PolarHBondContact OE1-OE1 3.16Å; Q1120-K1128 VanDerWaalsContact OE1-CE 3.3Å |
| 1121 | S | 69.7 | Low | 63.5 | Low | 48 Ų | 48 | 58 Ų | 58 | 34% | 0.336 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 146.4 | 175.5 | 71.8 | 0 | 0 | 0 | 0 | 111 | A1123 T1124 E1125 | S1121-A1123 PolarHBondContact O-N 2.74Å; S1121-A1123 VanDerWaalsContact O-N 3.1Å; S1121-T1124 WeakPolarHBondContact O-CB 3.35Å; S1121-T1124 PolarHBondContact O-N 3.34Å; S1121-T1124 PolarHBondContact OG-N 3.18Å; S1121-T1124 PolarHBondContact OG-OG1 2.93Å; S1121-E1125 PolarHBondContact O-N 3.46Å; S1121-E1125 VanDerWaalsContact O-N 3.14Å |
| 1122 | A | 75.2 | Confident | 65.8 | Low | 50 Ų | 50 | 56.3 Ų | 56.3 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.5 | -31.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1126 | A1122-T1126 VanDerWaalsContact O-CB 3.3Å; A1122-T1126 WeakPolarHBondContact O-CB 3.4Å; A1122-T1126 PolarHBondContact O-N 2.84Å; A1122-T1126 PolarHBondContact O-OG1 3.38Å |
| 1123 | A | 78.2 | Confident | 68.5 | Low | 27 Ų | 27 | 52.9 Ų | 52.9 | 22% | 0.223 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1069 S1121 T1126 A1127 | Y1069-A1123 HydrophobicContact CD1-CB 3.92Å; Y1069-A1123 HydrophobicContact CD2-CB 4.06Å; Y1069-A1123 HydrophobicContact CE1-CB 3.81Å; Y1069-A1123 HydrophobicContact CE2-CB 3.96Å; Y1069-A1123 HydrophobicContact CG-CB 4.03Å; S1121-A1123 PolarHBondContact O-N 2.74Å; S1121-A1123 VanDerWaalsContact O-N 3.1Å; A1123-T1126 PolarHBondContact O-N 3.24Å; A1123-A1127 VanDerWaalsContact O-CB 3.24Å; A1123-A1127 WeakPolarHBondContact O-CB 3.38Å; A1123-A1127 PolarHBondContact O-N 3.07Å |
| 1124 | T | 74.9 | Confident | 70.9 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 179.2 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | Y1111 S1121 A1127 K1128 | Y1111-T1124 HydrophobicContact CE2-CG2 4.38Å; S1121-T1124 WeakPolarHBondContact O-CB 3.35Å; S1121-T1124 PolarHBondContact O-N 3.34Å; S1121-T1124 PolarHBondContact OG-N 3.18Å; S1121-T1124 PolarHBondContact OG-OG1 2.93Å; T1124-A1127 PolarHBondContact O-N 2.98Å; T1124-K1128 WeakPolarHBondContact O-CG 3.46Å; T1124-K1128 PolarHBondContact O-N 3.05Å |
| 1125 | E | 81.9 | Confident | 73.2 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 9% | 0.093 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 177.4 | -77.5 | -67.7 | 144 | 0 | 0 | 112.1 | R884 Q1120 S1121 A1127 K1128 V1129 | R884-E1125 IonicContact CZ-OE2 3.18Å; R884-E1125 IonicContact NH1-OE2 3.48Å; R884-E1125 IonicContact NH2-OE2 3.22Å; R884-E1125 PolarHBondContact NH2-OE2 2.99Å; Q1120-E1125 HydrophobicContact CB-CG 4.01Å; Q1120-E1125 PolarHBondContact NE2-OE1 3.5Å; Q1120-E1125 PolarHBondContact OE1-OE1 3.16Å; S1121-E1125 PolarHBondContact O-N 3.46Å; S1121-E1125 VanDerWaalsContact O-N 3.14Å; E1125-A1127 VanDerWaalsContact C-N 3.28Å; E1125-A1127 PolarHBondContact O-N 3.45Å; E1125-K1128 PolarHBondContact O-N 2.92Å; E1125-V1129 WeakPolarHBondContact O-CG2 3.2Å; E1125-V1129 PolarHBondContact O-N 3.18Å; E1125-V1129 VanDerWaalsContact O-N 3.09Å |
| 1126 | T | 86 | Confident | 75.5 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -40.5 | 176.2 | -56 | 0 | 0 | 0 | 0 | 111.1 | Y1069 I1077 M1103 A1122 A1123 V1129 A1130 | Y1069-T1126 HydrophobicContact CD1-CG2 4.31Å; I1077-T1126 HydrophobicContact CD1-CG2 3.99Å; M1103-T1126 HydrophobicContact SD-CG2 3.9Å; A1122-T1126 VanDerWaalsContact O-CB 3.3Å; A1122-T1126 WeakPolarHBondContact O-CB 3.4Å; A1122-T1126 PolarHBondContact O-N 2.84Å; A1122-T1126 PolarHBondContact O-OG1 3.38Å; A1123-T1126 PolarHBondContact O-N 3.24Å; T1126-V1129 PolarHBondContact O-N 2.94Å; T1126-A1130 VanDerWaalsContact O-CB 3.31Å; T1126-A1130 WeakPolarHBondContact O-CB 3.38Å; T1126-A1130 PolarHBondContact O-N 3.29Å |
| 1127 | A | 83.7 | Confident | 77.6 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.9 | -39.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1103 I1107 A1123 T1124 E1125 A1130 L1131 | M1103-A1127 WeakPolarHBondContact O-CB 3.4Å; I1107-A1127 HydrophobicContact CD1-CB 3.54Å; I1107-A1127 HydrophobicContact CG1-CB 3.36Å; A1123-A1127 VanDerWaalsContact O-CB 3.24Å; A1123-A1127 WeakPolarHBondContact O-CB 3.38Å; A1123-A1127 PolarHBondContact O-N 3.07Å; T1124-A1127 PolarHBondContact O-N 2.98Å; E1125-A1127 VanDerWaalsContact C-N 3.28Å; E1125-A1127 PolarHBondContact O-N 3.45Å; A1127-A1130 PolarHBondContact O-N 2.88Å; A1127-L1131 WeakPolarHBondContact O-CB 3.3Å; A1127-L1131 PolarHBondContact O-N 3.08Å |
| 1128 | K | 84.1 | Confident | 79.5 | Confident | 75 Ų | 75 | 30.6 Ų | 30.6 | 33% | 0.326 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 172.9 | -74.5 | 176.4 | 177.5 | -179.2 | 0 | 112 | Y1111 Q1120 T1124 E1125 L1131 S1132 | Y1111-K1128 WeakPolarHBondContact OH-CE 3.33Å; Y1111-K1128 PolarHBondContact OH-NZ 3.4Å; Y1111-K1128 VanDerWaalsContact OH-NZ 3.17Å; Q1120-K1128 VanDerWaalsContact OE1-CE 3.3Å; T1124-K1128 WeakPolarHBondContact O-CG 3.46Å; T1124-K1128 PolarHBondContact O-N 3.05Å; E1125-K1128 PolarHBondContact O-N 2.92Å; K1128-L1131 PolarHBondContact O-N 3.46Å; K1128-S1132 PolarHBondContact O-N 3.44Å |
| 1129 | V | 89.6 | Confident | 81.1 | Confident | 19 Ų | 19 | 32.9 Ų | 32.9 | 12% | 0.115 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.6 | -41.7 | 178.8 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | R1074 I1077 D1078 E1125 T1126 L1131 S1132 A1133 | R1074-V1129 HydrophobicContact CG-CB 4.14Å; R1074-V1129 HydrophobicContact CG-CG1 4.29Å; R1074-V1129 HydrophobicContact CG-CG2 3.94Å; R1074-V1129 WeakPolarHBondContact O-CG1 3.48Å; I1077-V1129 HydrophobicContact CB-CG1 4.19Å; I1077-V1129 HydrophobicContact CG2-CG1 3.93Å; D1078-V1129 HydrophobicContact CB-CG1 3.67Å; E1125-V1129 WeakPolarHBondContact O-CG2 3.2Å; E1125-V1129 PolarHBondContact O-N 3.18Å; E1125-V1129 VanDerWaalsContact O-N 3.09Å; T1126-V1129 PolarHBondContact O-N 2.94Å; V1129-L1131 VanDerWaalsContact C-N 3.33Å; V1129-L1131 PolarHBondContact O-N 3.15Å; V1129-S1132 WeakPolarHBondContact O-CB 3.45Å; V1129-S1132 PolarHBondContact O-N 2.83Å; V1129-A1133 WeakPolarHBondContact O-CB 3.13Å; V1129-A1133 PolarHBondContact O-N 2.81Å |
| 1130 | A | 89.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1077 L1100 M1103 T1126 A1127 A1133 L1134 | I1077-A1130 HydrophobicContact CG2-CB 4.17Å; L1100-A1130 HydrophobicContact CD2-CB 4.1Å; M1103-A1130 HydrophobicContact CB-CB 4.1Å; T1126-A1130 VanDerWaalsContact O-CB 3.31Å; T1126-A1130 WeakPolarHBondContact O-CB 3.38Å; T1126-A1130 PolarHBondContact O-N 3.29Å; A1127-A1130 PolarHBondContact O-N 2.88Å; A1130-A1133 PolarHBondContact O-N 2.97Å; A1130-L1134 WeakPolarHBondContact O-CG 3.41Å; A1130-L1134 PolarHBondContact O-N 3.43Å |
| 1131 | L | 86.4 | Confident | 83.5 | Confident | 35 Ų | 35 | 34 Ų | 34 | 18% | 0.183 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -43.7 | 175.7 | -177.4 | 62.5 | 0 | 0 | 0 | 111.5 | C1104 A1127 K1128 V1129 L1134 F1135 H1188 V1192 | C1104-L1131 PolarHBondContact SG-N 3.03Å; A1127-L1131 WeakPolarHBondContact O-CB 3.3Å; A1127-L1131 PolarHBondContact O-N 3.08Å; K1128-L1131 PolarHBondContact O-N 3.46Å; V1129-L1131 VanDerWaalsContact C-N 3.33Å; V1129-L1131 PolarHBondContact O-N 3.15Å; L1131-L1134 WeakPolarHBondContact O-CB 3.45Å; L1131-L1134 PolarHBondContact O-N 3.38Å; L1131-F1135 HydrophobicContact CD1-CD2 4.46Å; L1131-F1135 HydrophobicContact CD1-CE2 3.74Å; L1131-F1135 HydrophobicContact CD1-CZ 4.14Å; L1131-F1135 HydrophobicContact CD2-CE2 4.24Å; L1131-F1135 HydrophobicContact CG-CD2 4.23Å; L1131-F1135 HydrophobicContact CG-CE2 3.63Å; L1131-F1135 HydrophobicContact CG-CZ 4.47Å; L1131-F1135 WeakPolarHBondContact O-CD2 3.41Å; L1131-F1135 PolarHBondContact O-N 3.11Å; L1131-F1135 VanDerWaalsContact O-N 3.08Å; L1131-H1188 HydrophobicContact CD1-CB 4.3Å; L1131-V1192 HydrophobicContact CD1-CG2 4.26Å |
| 1132 | S | 89.1 | Confident | 83.8 | Confident | 56 Ų | 56 | 32.4 Ų | 32.4 | 39% | 0.392 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 173.9 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | K1128 V1129 L1134 F1135 L1136 | K1128-S1132 PolarHBondContact O-N 3.44Å; V1129-S1132 WeakPolarHBondContact O-CB 3.45Å; V1129-S1132 PolarHBondContact O-N 2.83Å; S1132-L1134 VanDerWaalsContact C-N 3.35Å; S1132-L1134 PolarHBondContact O-N 3.47Å; S1132-F1135 WeakPolarHBondContact O-CB 3.41Å; S1132-F1135 PolarHBondContact O-N 2.86Å; S1132-F1135 VanDerWaalsContact O-N 3.09Å; S1132-L1136 PolarHBondContact O-N 2.94Å |
| 1133 | A | 90.9 | Very high | 83.8 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | I1077 L1100 V1129 A1130 F1135 L1136 V1137 | I1077-A1133 HydrophobicContact CG2-CB 3.69Å; I1077-A1133 WeakPolarHBondContact O-CB 3.4Å; L1100-A1133 HydrophobicContact CD1-CB 4.49Å; V1129-A1133 WeakPolarHBondContact O-CB 3.13Å; V1129-A1133 PolarHBondContact O-N 2.81Å; A1130-A1133 PolarHBondContact O-N 2.97Å; A1133-F1135 VanDerWaalsContact C-N 3.29Å; A1133-F1135 PolarHBondContact O-N 2.9Å; A1133-L1136 PolarHBondContact O-N 3.47Å; A1133-V1137 VanDerWaalsContact O-CG2 3.25Å; A1133-V1137 WeakPolarHBondContact O-CG2 3.25Å; A1133-V1137 PolarHBondContact O-N 3.2Å |
| 1134 | L | 87.1 | Confident | 83.8 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.7 | -40.1 | 173.3 | -75.6 | 169.8 | 0 | 0 | 0 | 111.9 | L1100 L1101 A1130 L1131 S1132 S1138 F1145 V1192 | L1100-L1134 HydrophobicContact CB-CD1 4.17Å; L1100-L1134 HydrophobicContact CB-CD2 3.77Å; L1100-L1134 HydrophobicContact CB-CG 3.85Å; L1100-L1134 HydrophobicContact CD1-CD2 3.92Å; L1100-L1134 HydrophobicContact CD1-CG 4.17Å; L1101-L1134 HydrophobicContact CD2-CD1 3.78Å; L1101-L1134 HydrophobicContact CG-CD1 4.22Å; A1130-L1134 WeakPolarHBondContact O-CG 3.41Å; A1130-L1134 PolarHBondContact O-N 3.43Å; L1131-L1134 WeakPolarHBondContact O-CB 3.45Å; L1131-L1134 PolarHBondContact O-N 3.38Å; S1132-L1134 VanDerWaalsContact C-N 3.35Å; S1132-L1134 PolarHBondContact O-N 3.47Å; L1134-S1138 WeakPolarHBondContact O-CB 3.39Å; L1134-S1138 PolarHBondContact O-N 3Å; L1134-S1138 PolarHBondContact O-OG 2.95Å; L1134-F1145 HydrophobicContact CD2-CE2 3.86Å; L1134-F1145 HydrophobicContact CD2-CZ 4.21Å; L1134-V1192 HydrophobicContact CB-CG2 4.28Å |
| 1135 | F | 85.2 | Confident | 84 | Confident | 41 Ų | 41 | 32 Ų | 32 | 18% | 0.18 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -47.8 | 174.7 | -76.2 | -61.8 | 0 | 0 | 0 | 112.3 | L1131 S1132 A1133 S1138 H1139 F1191 V1192 H1195 | L1131-F1135 HydrophobicContact CD1-CD2 4.46Å; L1131-F1135 HydrophobicContact CD1-CE2 3.74Å; L1131-F1135 HydrophobicContact CD1-CZ 4.14Å; L1131-F1135 HydrophobicContact CD2-CE2 4.24Å; L1131-F1135 HydrophobicContact CG-CD2 4.23Å; L1131-F1135 HydrophobicContact CG-CE2 3.63Å; L1131-F1135 HydrophobicContact CG-CZ 4.47Å; L1131-F1135 WeakPolarHBondContact O-CD2 3.41Å; L1131-F1135 PolarHBondContact O-N 3.11Å; L1131-F1135 VanDerWaalsContact O-N 3.08Å; S1132-F1135 WeakPolarHBondContact O-CB 3.41Å; S1132-F1135 PolarHBondContact O-N 2.86Å; S1132-F1135 VanDerWaalsContact O-N 3.09Å; A1133-F1135 VanDerWaalsContact C-N 3.29Å; A1133-F1135 PolarHBondContact O-N 2.9Å; F1135-S1138 PolarHBondContact O-N 3.27Å; F1135-S1138 PolarHBondContact O-OG 3.29Å; F1135-H1139 WeakPolarHBondContact O-CB 3.27Å; F1135-H1139 PolarHBondContact O-N 2.66Å; F1135-F1191 AromaticContact CE1-CD1 3.35Å; F1135-F1191 HydrophobicContact CE1-CD1 3.35Å; F1135-F1191 AromaticContact CE1-CE1 3.58Å; F1135-F1191 HydrophobicContact CE1-CE1 3.58Å; F1135-F1191 HydrophobicContact CE2-CD1 4.35Å; F1135-F1191 HydrophobicContact CE2-CE1 4.33Å; F1135-F1191 AromaticContact CZ-CD1 3.14Å; F1135-F1191 HydrophobicContact CZ-CD1 3.14Å; F1135-F1191 AromaticContact CZ-CE1 3.36Å; F1135-F1191 HydrophobicContact CZ-CE1 3.36Å; F1135-F1191 HydrophobicContact CZ-CG 4.3Å; F1135-V1192 HydrophobicContact CD1-CG2 4.24Å; F1135-V1192 HydrophobicContact CE1-CB 4.35Å; F1135-V1192 HydrophobicContact CE1-CG2 3.75Å; F1135-V1192 HydrophobicContact CZ-CG2 3.9Å; F1135-H1195 HydrophobicContact CD1-CB 4.13Å; F1135-H1195 AromaticContact CD1-CG 3.92Å; F1135-H1195 AromaticContact CD1-ND1 3.92Å; F1135-H1195 HydrophobicContact CE1-CB 4.07Å |
| 1136 | L | 87.8 | Confident | 83.7 | Confident | 63 Ų | 63 | 31.1 Ų | 31.1 | 33% | 0.33 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.8 | -48 | 179.9 | -67.9 | 168.9 | 0 | 0 | 0 | 111.2 | G1081 R1082 S1132 A1133 S1138 H1139 S1140 | G1081-L1136 VanDerWaalsContact O-CB 3.26Å; G1081-L1136 WeakPolarHBondContact O-CB 3.22Å; R1082-L1136 HydrophobicContact CG-CD1 4.08Å; S1132-L1136 PolarHBondContact O-N 2.94Å; A1133-L1136 PolarHBondContact O-N 3.47Å; L1136-S1138 VanDerWaalsContact C-N 3.33Å; L1136-S1138 PolarHBondContact O-N 3.07Å; L1136-H1139 WeakPolarHBondContact O-CB 3.5Å; L1136-H1139 PolarHBondContact O-N 3.25Å; L1136-S1140 PolarHBondContact O-N 3.32Å; L1136-S1140 PolarHBondContact O-OG 3.32Å; L1136-S1140 VanDerWaalsContact O-OG 3.07Å |
| 1137 | V | 86 | Confident | 83.1 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 175.7 | 176.6 | 0 | 0 | 0 | 0 | 111 | F1084 A1133 H1139 S1140 R1141 F1145 | F1084-V1137 HydrophobicContact CB-CG2 4.22Å; F1084-V1137 HydrophobicContact CD1-CB 4.47Å; F1084-V1137 HydrophobicContact CD1-CG1 4.22Å; F1084-V1137 HydrophobicContact CD1-CG2 4.39Å; F1084-V1137 HydrophobicContact CD2-CG1 4.24Å; F1084-V1137 HydrophobicContact CD2-CG2 3.79Å; F1084-V1137 HydrophobicContact CE1-CG1 3.91Å; F1084-V1137 HydrophobicContact CE2-CG1 3.93Å; F1084-V1137 HydrophobicContact CE2-CG2 4.24Å; F1084-V1137 HydrophobicContact CG-CB 4.43Å; F1084-V1137 HydrophobicContact CG-CG1 4.38Å; F1084-V1137 HydrophobicContact CG-CG2 3.86Å; F1084-V1137 HydrophobicContact CZ-CG1 3.75Å; A1133-V1137 VanDerWaalsContact O-CG2 3.25Å; A1133-V1137 WeakPolarHBondContact O-CG2 3.25Å; A1133-V1137 PolarHBondContact O-N 3.2Å; V1137-H1139 VanDerWaalsContact C-N 3.34Å; V1137-H1139 PolarHBondContact O-N 3.21Å; V1137-S1140 PolarHBondContact O-N 2.93Å; V1137-R1141 PolarHBondContact O-N 3.3Å; V1137-F1145 HydrophobicContact CB-CD2 4.47Å; V1137-F1145 HydrophobicContact CG1-CD2 3.79Å; V1137-F1145 HydrophobicContact CG1-CE2 4.49Å |
| 1138 | S | 82.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.3 | -35.3 | 179 | 80.3 | 0 | 0 | 0 | 0 | 112.9 | L1134 F1135 L1136 P1142 H1195 | L1134-S1138 WeakPolarHBondContact O-CB 3.39Å; L1134-S1138 PolarHBondContact O-N 3Å; L1134-S1138 PolarHBondContact O-OG 2.95Å; F1135-S1138 PolarHBondContact O-N 3.27Å; F1135-S1138 PolarHBondContact O-OG 3.29Å; L1136-S1138 VanDerWaalsContact C-N 3.33Å; L1136-S1138 PolarHBondContact O-N 3.07Å; S1138-P1142 VanDerWaalsContact O-CA 3.27Å; S1138-P1142 WeakPolarHBondContact O-CA 3.28Å; S1138-P1142 WeakPolarHBondContact O-CB 3.23Å; S1138-P1142 WeakPolarHBondContact O-CD 3.28Å; S1138-H1195 PolarHBondContact OG-ND1 3.22Å; S1138-H1195 VanDerWaalsContact OG-ND1 3.16Å |
| 1139 | H | 83.3 | Confident | 82.4 | Confident | 102 Ų | 102 | 29.5 Ų | 29.5 | 47% | 0.472 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -69.7 | -46.4 | 179.1 | -163.3 | 80.5 | 0 | 0 | 0 | 110.9 | F1135 L1136 V1137 H1195 C1199 | F1135-H1139 WeakPolarHBondContact O-CB 3.27Å; F1135-H1139 PolarHBondContact O-N 2.66Å; L1136-H1139 WeakPolarHBondContact O-CB 3.5Å; L1136-H1139 PolarHBondContact O-N 3.25Å; V1137-H1139 VanDerWaalsContact C-N 3.34Å; V1137-H1139 PolarHBondContact O-N 3.21Å; H1139-H1195 AromaticContact CG-CE1 3.96Å; H1139-H1195 AromaticContact ND1-CE1 3.38Å; H1139-H1195 PolarHBondContact ND1-CE1 2.89Å; H1139-H1195 AromaticContact ND1-NE2 3.64Å; H1139-C1199 PolarHBondContact ND1-SG 3.1Å; H1139-C1199 VanDerWaalsContact ND1-SG 3.43Å |
| 1140 | S | 83.4 | Confident | 81.5 | Confident | 45 Ų | 45 | 28.8 Ų | 28.8 | 32% | 0.315 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -69.6 | -40 | -174.6 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | L1136 V1137 | L1136-S1140 PolarHBondContact O-N 3.32Å; L1136-S1140 PolarHBondContact O-OG 3.32Å; L1136-S1140 VanDerWaalsContact O-OG 3.07Å; V1137-S1140 PolarHBondContact O-N 2.93Å |
| 1141 | R | 78.9 | Confident | 80.7 | Confident | 119 Ų | 119 | 35.3 Ų | 35.3 | 45% | 0.449 | 19% | 0.186 | S | C | . | . | trans | -142.1 | 67.2 | -176.5 | -66.2 | -70.1 | -169.6 | 128.3 | 6.5 | 112.2 | F1084 V1137 S1143 A1144 F1145 | F1084-R1141 HydrophobicContact CE1-CB 4.13Å; F1084-R1141 HydrophobicContact CE1-CG 4.03Å; V1137-R1141 PolarHBondContact O-N 3.3Å; R1141-S1143 VanDerWaalsContact C-N 3.31Å; R1141-S1143 PolarHBondContact O-N 3.11Å; R1141-A1144 HydrophobicContact CB-CB 4.16Å; R1141-A1144 PolarHBondContact O-N 3.45Å; R1141-A1144 VanDerWaalsContact O-N 3.1Å; R1141-F1145 WeakPolarHBondContact O-CB 3.32Å; R1141-F1145 PolarHBondContact O-N 2.93Å | ||
| 1142 | P | 75.8 | Confident | 79.7 | Confident | 16 Ų | 16 | 35 Ų | 35 | 10% | 0.104 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.3 | -41 | -173.8 | 20.1 | -32.1 | 0 | 0 | 0 | 112.8 | S1138 A1144 F1145 V1146 A1196 I1201 | S1138-P1142 VanDerWaalsContact O-CA 3.27Å; S1138-P1142 WeakPolarHBondContact O-CA 3.28Å; S1138-P1142 WeakPolarHBondContact O-CB 3.23Å; S1138-P1142 WeakPolarHBondContact O-CD 3.28Å; P1142-A1144 PolarHBondContact O-N 3.48Å; P1142-F1145 PolarHBondContact O-N 3.34Å; P1142-V1146 WeakPolarHBondContact O-CB 3.38Å; P1142-V1146 WeakPolarHBondContact O-CG2 3.34Å; P1142-V1146 PolarHBondContact O-N 3.23Å; P1142-A1196 HydrophobicContact CB-CB 4.09Å; P1142-I1201 HydrophobicContact CB-CD1 3.83Å; P1142-I1201 HydrophobicContact CB-CG1 4.33Å; P1142-I1201 HydrophobicContact CG-CD1 3.66Å; P1142-I1201 HydrophobicContact CG-CG1 3.63Å |
| 1143 | S | 75.2 | Confident | 78.5 | Confident | 38 Ų | 38 | 32.5 Ų | 32.5 | 27% | 0.266 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.8 | -41 | 179.4 | -169.6 | 0 | 0 | 0 | 0 | 113.4 | R1141 T1147 C1209 | R1141-S1143 VanDerWaalsContact C-N 3.31Å; R1141-S1143 PolarHBondContact O-N 3.11Å; S1143-T1147 WeakPolarHBondContact O-CB 3.13Å; S1143-T1147 PolarHBondContact O-N 3.3Å; S1143-T1147 PolarHBondContact O-OG1 3.08Å; S1143-C1209 WeakPolarHBondContact CA-SG 3.16Å; S1143-C1209 WeakPolarHBondContact CB-SG 3.4Å |
| 1144 | A | 77.8 | Confident | 77.1 | Confident | 32 Ų | 32 | 35.2 Ų | 35.2 | 26% | 0.264 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -74.2 | -41.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I1093 R1141 P1142 T1147 A1148 | I1093-A1144 HydrophobicContact CD1-CB 3.59Å; R1141-A1144 HydrophobicContact CB-CB 4.16Å; R1141-A1144 PolarHBondContact O-N 3.45Å; R1141-A1144 VanDerWaalsContact O-N 3.1Å; P1142-A1144 PolarHBondContact O-N 3.48Å; A1144-T1147 PolarHBondContact O-N 3.44Å; A1144-A1148 WeakPolarHBondContact O-CB 3.45Å; A1144-A1148 PolarHBondContact O-N 3.41Å |
| 1145 | F | 80.6 | Confident | 75.7 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.013 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.6 | -52.1 | 174.3 | 179 | -94.1 | 0 | 0 | 0 | 112.1 | V1097 L1134 V1137 R1141 P1142 T1147 A1148 L1149 V1192 | V1097-F1145 HydrophobicContact CG1-CE2 4.22Å; V1097-F1145 HydrophobicContact CG2-CD2 3.84Å; V1097-F1145 HydrophobicContact CG2-CE2 3.72Å; L1134-F1145 HydrophobicContact CD2-CE2 3.86Å; L1134-F1145 HydrophobicContact CD2-CZ 4.21Å; V1137-F1145 HydrophobicContact CB-CD2 4.47Å; V1137-F1145 HydrophobicContact CG1-CD2 3.79Å; V1137-F1145 HydrophobicContact CG1-CE2 4.49Å; R1141-F1145 WeakPolarHBondContact O-CB 3.32Å; R1141-F1145 PolarHBondContact O-N 2.93Å; P1142-F1145 PolarHBondContact O-N 3.34Å; F1145-T1147 VanDerWaalsContact C-N 3.32Å; F1145-T1147 PolarHBondContact O-N 3.47Å; F1145-A1148 WeakPolarHBondContact O-CB 3.32Å; F1145-A1148 PolarHBondContact O-N 2.9Å; F1145-L1149 HydrophobicContact CE1-CD2 4.1Å; F1145-L1149 WeakPolarHBondContact O-CB 3.39Å; F1145-L1149 PolarHBondContact O-N 3.29Å; F1145-V1192 HydrophobicContact CE1-CG1 3.52Å; F1145-V1192 HydrophobicContact CE2-CG1 4.45Å; F1145-V1192 HydrophobicContact CZ-CG1 3.47Å; F1145-V1192 VanDerWaalsContact CZ-CG1 3.47Å |
| 1146 | V | 74.9 | Confident | 74.1 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.4 | -38.3 | 179.7 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | P1142 A1148 L1149 S1150 A1196 V1213 I1216 | P1142-V1146 WeakPolarHBondContact O-CB 3.38Å; P1142-V1146 WeakPolarHBondContact O-CG2 3.34Å; P1142-V1146 PolarHBondContact O-N 3.23Å; V1146-A1148 PolarHBondContact O-N 3.16Å; V1146-L1149 PolarHBondContact O-N 3.34Å; V1146-S1150 WeakPolarHBondContact O-CB 3.39Å; V1146-S1150 PolarHBondContact O-N 3.41Å; V1146-S1150 PolarHBondContact O-OG 3.38Å; V1146-A1196 HydrophobicContact CG2-CB 4.18Å; V1146-V1213 HydrophobicContact CB-CG2 4.46Å; V1146-V1213 HydrophobicContact CG1-CB 4.35Å; V1146-V1213 HydrophobicContact CG1-CG2 3.49Å; V1146-V1213 VanDerWaalsContact CG1-CG2 3.49Å; V1146-V1213 HydrophobicContact CG2-CG2 4.04Å; V1146-I1216 HydrophobicContact CG1-CD1 3.64Å |
| 1147 | T | 74.5 | Confident | 72.4 | Confident | 26 Ų | 26 | 41.8 Ų | 41.8 | 16% | 0.16 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -45.3 | 175 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | S1143 A1144 F1145 S1150 K1151 Y1212 | S1143-T1147 WeakPolarHBondContact O-CB 3.13Å; S1143-T1147 PolarHBondContact O-N 3.3Å; S1143-T1147 PolarHBondContact O-OG1 3.08Å; A1144-T1147 PolarHBondContact O-N 3.44Å; F1145-T1147 VanDerWaalsContact C-N 3.32Å; F1145-T1147 PolarHBondContact O-N 3.47Å; T1147-S1150 WeakPolarHBondContact CA-OG 3.47Å; T1147-S1150 PolarHBondContact O-N 3.36Å; T1147-S1150 PolarHBondContact O-OG 3.29Å; T1147-K1151 HydrophobicContact CG2-CD 4.49Å; T1147-K1151 WeakPolarHBondContact O-CG 3.3Å; T1147-K1151 PolarHBondContact O-N 3.36Å; T1147-Y1212 HydrophobicContact CG2-CE1 4.11Å; T1147-Y1212 HydrophobicContact CG2-CE2 4.22Å; T1147-Y1212 WeakPolarHBondContact OG1-CE2 3.48Å |
| 1148 | A | 77.4 | Confident | 70.6 | Confident | 8 Ų | 8 | 45 Ų | 45 | 7% | 0.066 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.3 | -47.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1093 A1144 F1145 V1146 S1150 K1151 E1152 | I1093-A1148 HydrophobicContact CB-CB 4.25Å; I1093-A1148 HydrophobicContact CG2-CB 3.76Å; A1144-A1148 WeakPolarHBondContact O-CB 3.45Å; A1144-A1148 PolarHBondContact O-N 3.41Å; F1145-A1148 WeakPolarHBondContact O-CB 3.32Å; F1145-A1148 PolarHBondContact O-N 2.9Å; V1146-A1148 PolarHBondContact O-N 3.16Å; A1148-S1150 VanDerWaalsContact C-N 3.33Å; A1148-S1150 PolarHBondContact O-N 2.81Å; A1148-K1151 PolarHBondContact O-N 2.74Å; A1148-E1152 WeakPolarHBondContact O-CB 3.38Å; A1148-E1152 PolarHBondContact O-N 2.86Å |
| 1149 | L | 74.1 | Confident | 68.8 | Low | 10 Ų | 10 | 49.8 Ų | 49.8 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -38 | 177.2 | -174.7 | 60.4 | 0 | 0 | 0 | 112.2 | V1097 L1101 F1145 V1146 E1152 S1153 I1189 I1193 I1216 | V1097-L1149 HydrophobicContact CG1-CD1 4.06Å; L1101-L1149 HydrophobicContact CD1-CD1 3.64Å; F1145-L1149 HydrophobicContact CE1-CD2 4.1Å; F1145-L1149 WeakPolarHBondContact O-CB 3.39Å; F1145-L1149 PolarHBondContact O-N 3.29Å; V1146-L1149 PolarHBondContact O-N 3.34Å; L1149-E1152 PolarHBondContact O-N 3.28Å; L1149-S1153 WeakPolarHBondContact O-CB 3.37Å; L1149-S1153 PolarHBondContact O-N 3.11Å; L1149-S1153 PolarHBondContact O-OG 2.93Å; L1149-I1189 HydrophobicContact CD2-CG2 4.15Å; L1149-I1193 HydrophobicContact CD2-CD1 4.07Å; L1149-I1193 HydrophobicContact CD2-CG1 4.07Å; L1149-I1216 HydrophobicContact CB-CD1 3.8Å; L1149-I1216 HydrophobicContact CB-CG1 4.39Å; L1149-I1216 HydrophobicContact CD2-CD1 3.78Å; L1149-I1216 HydrophobicContact CD2-CG1 4.42Å; L1149-I1216 HydrophobicContact CD2-CG2 4.04Å; L1149-I1216 HydrophobicContact CG-CD1 3.7Å; L1149-I1216 HydrophobicContact CG-CG1 4.02Å; L1149-I1216 HydrophobicContact CG-CG2 4.07Å |
| 1150 | S | 71.6 | Confident | 66.8 | Low | 4 Ų | 4 | 46.1 Ų | 46.1 | 3% | 0.028 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.3 | -47 | 176 | 72 | 0 | 0 | 0 | 0 | 112.1 | V1146 T1147 A1148 E1152 S1153 V1154 Y1212 | V1146-S1150 WeakPolarHBondContact O-CB 3.39Å; V1146-S1150 PolarHBondContact O-N 3.41Å; V1146-S1150 PolarHBondContact O-OG 3.38Å; T1147-S1150 WeakPolarHBondContact CA-OG 3.47Å; T1147-S1150 PolarHBondContact O-N 3.36Å; T1147-S1150 PolarHBondContact O-OG 3.29Å; A1148-S1150 VanDerWaalsContact C-N 3.33Å; A1148-S1150 PolarHBondContact O-N 2.81Å; S1150-E1152 PolarHBondContact O-N 3.48Å; S1150-S1153 WeakPolarHBondContact CA-OG 3.5Å; S1150-S1153 PolarHBondContact O-N 3.47Å; S1150-S1153 VanDerWaalsContact O-N 3.14Å; S1150-S1153 PolarHBondContact O-OG 3.46Å; S1150-V1154 WeakPolarHBondContact O-CG2 3.42Å; S1150-V1154 PolarHBondContact O-N 3.02Å; S1150-Y1212 WeakPolarHBondContact OG-CD1 3.41Å |
| 1151 | K | 71.4 | Confident | 64.7 | Low | 138 Ų | 138 | 48.3 Ų | 48.3 | 60% | 0.6 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -55.6 | -41.8 | 175.5 | -78.1 | -177.2 | 176.6 | -174.4 | 0 | 110.7 | T1147 A1148 V1154 M1155 | T1147-K1151 HydrophobicContact CG2-CD 4.49Å; T1147-K1151 WeakPolarHBondContact O-CG 3.3Å; T1147-K1151 PolarHBondContact O-N 3.36Å; A1148-K1151 PolarHBondContact O-N 2.74Å; K1151-V1154 PolarHBondContact O-N 3.37Å; K1151-M1155 VanDerWaalsContact O-CB 3.25Å; K1151-M1155 WeakPolarHBondContact O-CB 3.49Å; K1151-M1155 PolarHBondContact O-N 2.97Å |
| 1152 | E | 67 | Low | 62.5 | Low | 27 Ų | 27 | 47 Ų | 47 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 177.9 | -171.6 | 59.4 | -147.6 | 0 | 0 | 112.7 | V1098 A1148 L1149 S1150 V1154 M1155 R1156 F1178 | V1098-E1152 HydrophobicContact CG2-CB 4.46Å; V1098-E1152 HydrophobicContact CG2-CG 3.4Å; A1148-E1152 WeakPolarHBondContact O-CB 3.38Å; A1148-E1152 PolarHBondContact O-N 2.86Å; L1149-E1152 PolarHBondContact O-N 3.28Å; S1150-E1152 PolarHBondContact O-N 3.48Å; E1152-V1154 VanDerWaalsContact C-N 3.26Å; E1152-V1154 PolarHBondContact O-N 3.26Å; E1152-M1155 PolarHBondContact O-N 3.4Å; E1152-R1156 PolarHBondContact O-N 2.88Å; E1152-R1156 VanDerWaalsContact OE1-CD 3.23Å; E1152-R1156 WeakPolarHBondContact OE1-CD 3.41Å; E1152-R1156 WeakPolarHBondContact OE1-CG 3.35Å; E1152-R1156 IonicContact OE1-CZ 3.95Å; E1152-R1156 IonicContact OE1-NE 2.94Å; E1152-R1156 PolarHBondContact OE1-NE 3.21Å; E1152-R1156 VanDerWaalsContact OE1-NE 3.08Å; E1152-R1156 IonicContact OE1-NH1 2.92Å; E1152-R1156 PolarHBondContact OE1-NH1 3.26Å; E1152-R1156 IonicContact OE1-NH2 3.91Å; E1152-F1178 HydrophobicContact CG-CZ 4.47Å |
| 1153 | S | 63.8 | Low | 60.2 | Low | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.028 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -37.7 | 177 | 70 | 0 | 0 | 0 | 0 | 112.2 | L1149 S1150 N1157 H1219 | L1149-S1153 WeakPolarHBondContact O-CB 3.37Å; L1149-S1153 PolarHBondContact O-N 3.11Å; L1149-S1153 PolarHBondContact O-OG 2.93Å; S1150-S1153 WeakPolarHBondContact CA-OG 3.5Å; S1150-S1153 PolarHBondContact O-N 3.47Å; S1150-S1153 VanDerWaalsContact O-N 3.14Å; S1150-S1153 PolarHBondContact O-OG 3.46Å; S1153-N1157 WeakPolarHBondContact O-CB 3.46Å; S1153-N1157 PolarHBondContact O-N 3.3Å; S1153-H1219 PolarHBondContact O-CD2 2.85Å |
| 1154 | V | 60.7 | Low | 57.9 | Low | 59 Ų | 59 | 53.9 Ų | 53.9 | 36% | 0.358 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.3 | -49.5 | 175.7 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | S1150 K1151 E1152 R1156 N1157 C1158 | S1150-V1154 WeakPolarHBondContact O-CG2 3.42Å; S1150-V1154 PolarHBondContact O-N 3.02Å; K1151-V1154 PolarHBondContact O-N 3.37Å; E1152-V1154 VanDerWaalsContact C-N 3.26Å; E1152-V1154 PolarHBondContact O-N 3.26Å; V1154-R1156 VanDerWaalsContact C-N 3.29Å; V1154-R1156 PolarHBondContact O-N 2.93Å; V1154-N1157 PolarHBondContact O-N 3.02Å; V1154-C1158 PolarHBondContact O-N 3.43Å; V1154-C1158 PolarHBondContact O-SG 3.47Å; V1154-C1158 VanDerWaalsContact O-SG 3.39Å |
| 1155 | M | 57.6 | Low | 55.7 | Low | 115 Ų | 115 | 59.1 Ų | 59.1 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -56.6 | -43.4 | -178.2 | -172.7 | -174.8 | -174.2 | 0 | 0 | 111.5 | K1151 E1152 C1158 L1159 | K1151-M1155 VanDerWaalsContact O-CB 3.25Å; K1151-M1155 WeakPolarHBondContact O-CB 3.49Å; K1151-M1155 PolarHBondContact O-N 2.97Å; E1152-M1155 PolarHBondContact O-N 3.4Å; M1155-C1158 WeakPolarHBondContact O-CB 3.45Å; M1155-C1158 PolarHBondContact O-N 2.98Å; M1155-L1159 WeakPolarHBondContact O-CG 3.33Å; M1155-L1159 PolarHBondContact O-N 3.37Å |
| 1156 | R | 52.6 | Low | 53.1 | Low | 65 Ų | 65 | 65 Ų | 65 | 25% | 0.245 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -78.2 | -27.3 | -179.5 | -73.4 | -171.1 | 166.4 | 133.2 | -17.8 | 114.2 | V1098 E1152 V1154 L1159 G1160 F1178 | V1098-R1156 VanDerWaalsContact CG1-NH1 3.34Å; V1098-R1156 VanDerWaalsContact CG2-NH1 3.33Å; E1152-R1156 PolarHBondContact O-N 2.88Å; E1152-R1156 VanDerWaalsContact OE1-CD 3.23Å; E1152-R1156 WeakPolarHBondContact OE1-CD 3.41Å; E1152-R1156 WeakPolarHBondContact OE1-CG 3.35Å; E1152-R1156 IonicContact OE1-CZ 3.95Å; E1152-R1156 IonicContact OE1-NE 2.94Å; E1152-R1156 PolarHBondContact OE1-NE 3.21Å; E1152-R1156 VanDerWaalsContact OE1-NE 3.08Å; E1152-R1156 IonicContact OE1-NH1 2.92Å; E1152-R1156 PolarHBondContact OE1-NH1 3.26Å; E1152-R1156 IonicContact OE1-NH2 3.91Å; V1154-R1156 VanDerWaalsContact C-N 3.29Å; V1154-R1156 PolarHBondContact O-N 2.93Å; R1156-L1159 PolarHBondContact O-N 3.36Å; R1156-G1160 PolarHBondContact O-N 3.01Å; R1156-F1178 HydrophobicContact CB-CB 4.47Å; R1156-F1178 HydrophobicContact CB-CD1 3.45Å; R1156-F1178 VanDerWaalsContact CB-CD1 3.45Å; R1156-F1178 HydrophobicContact CB-CE1 3.64Å; R1156-F1178 HydrophobicContact CB-CG 3.98Å; R1156-F1178 HydrophobicContact CB-CZ 4.34Å; R1156-F1178 VanDerWaalsContact CD-CD1 3.44Å; R1156-F1178 HydrophobicContact CG-CD1 4.13Å; R1156-F1178 HydrophobicContact CG-CD2 4.48Å; R1156-F1178 HydrophobicContact CG-CE1 4.23Å; R1156-F1178 HydrophobicContact CG-CG 4.23Å; R1156-F1178 HydrophobicContact CG-CZ 4.47Å |
| 1157 | N | 51.3 | Low | 50.7 | Low | 63 Ų | 63 | 71.1 Ų | 71.1 | 34% | 0.337 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 167.1 | -85.5 | 0.8 | 0 | 0 | 0 | 111.9 | S1153 V1154 L1159 G1160 C1161 H1219 | S1153-N1157 WeakPolarHBondContact O-CB 3.46Å; S1153-N1157 PolarHBondContact O-N 3.3Å; V1154-N1157 PolarHBondContact O-N 3.02Å; N1157-L1159 VanDerWaalsContact C-N 3.33Å; N1157-L1159 PolarHBondContact O-N 2.83Å; N1157-G1160 CarbonylContact O-C 3.42Å; N1157-G1160 WeakPolarHBondContact O-CA 3.45Å; N1157-G1160 PolarHBondContact O-N 3.32Å; N1157-G1160 VanDerWaalsContact O-N 3.11Å; N1157-C1161 PolarHBondContact O-N 2.69Å; N1157-H1219 PolarHBondContact ND2-CD2 3.39Å |
| 1158 | C | 48.6 | Very low | 48.4 | Very low | 71 Ų | 71 | 75.5 Ų | 75.5 | 48% | 0.48 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 172.2 | -72 | 0 | 0 | 0 | 0 | 111.6 | V1154 M1155 G1160 C1161 S1162 | V1154-C1158 PolarHBondContact O-N 3.43Å; V1154-C1158 PolarHBondContact O-SG 3.47Å; V1154-C1158 VanDerWaalsContact O-SG 3.39Å; M1155-C1158 WeakPolarHBondContact O-CB 3.45Å; M1155-C1158 PolarHBondContact O-N 2.98Å; C1158-G1160 VanDerWaalsContact C-N 3.33Å; C1158-C1161 PolarHBondContact O-N 2.95Å; C1158-S1162 WeakPolarHBondContact O-CB 3.47Å; C1158-S1162 PolarHBondContact O-N 3.47Å |
| 1159 | L | 43.8 | Very low | 46 | Very low | 99 Ų | 99 | 79.5 Ų | 79.5 | 52% | 0.518 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 172.3 | -72.9 | 162.4 | 0 | 0 | 0 | 111.8 | M1155 R1156 N1157 C1161 V1163 | M1155-L1159 WeakPolarHBondContact O-CG 3.33Å; M1155-L1159 PolarHBondContact O-N 3.37Å; R1156-L1159 PolarHBondContact O-N 3.36Å; N1157-L1159 VanDerWaalsContact C-N 3.33Å; N1157-L1159 PolarHBondContact O-N 2.83Å; L1159-C1161 VanDerWaalsContact C-N 3.35Å; L1159-C1161 PolarHBondContact O-N 3.13Å; L1159-V1163 WeakPolarHBondContact O-CG2 3.47Å; L1159-V1163 PolarHBondContact O-N 2.7Å |
| 1160 | G | 42.8 | Very low | 43.9 | Very low | 26 Ų | 26 | 83 Ų | 83 | 27% | 0.268 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -35.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1156 N1157 C1158 | R1156-G1160 PolarHBondContact O-N 3.01Å; N1157-G1160 CarbonylContact O-C 3.42Å; N1157-G1160 WeakPolarHBondContact O-CA 3.45Å; N1157-G1160 PolarHBondContact O-N 3.32Å; N1157-G1160 VanDerWaalsContact O-N 3.11Å; C1158-G1160 VanDerWaalsContact C-N 3.33Å |
| 1161 | C | 38.1 | Very low | 41.7 | Very low | 91 Ų | 91 | 88.9 Ų | 88.9 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -82.7 | -42.2 | 178.3 | -74.9 | 0 | 0 | 0 | 0 | 113 | N1157 C1158 L1159 V1163 L1164 | N1157-C1161 PolarHBondContact O-N 2.69Å; C1158-C1161 PolarHBondContact O-N 2.95Å; L1159-C1161 VanDerWaalsContact C-N 3.35Å; L1159-C1161 PolarHBondContact O-N 3.13Å; C1161-V1163 VanDerWaalsContact C-N 3.31Å; C1161-V1163 PolarHBondContact O-N 3.46Å; C1161-L1164 PolarHBondContact O-N 3.34Å |
| 1162 | S | 32.5 | Very low | 39.6 | Very low | 90 Ų | 90 | 89.4 Ų | 89.4 | 63% | 0.629 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.8 | -27.6 | -178.6 | -84.5 | 0 | 0 | 0 | 0 | 113.2 | C1158 | C1158-S1162 WeakPolarHBondContact O-CB 3.47Å; C1158-S1162 PolarHBondContact O-N 3.47Å |
| 1163 | V | 28.9 | Very low | 37.7 | Very low | 76 Ų | 76 | 95.1 Ų | 95.1 | 46% | 0.461 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -83.8 | -15.2 | -179.6 | -179.3 | 0 | 0 | 0 | 0 | 112.7 | L1159 C1161 I1165 | L1159-V1163 WeakPolarHBondContact O-CG2 3.47Å; L1159-V1163 PolarHBondContact O-N 2.7Å; C1161-V1163 VanDerWaalsContact C-N 3.31Å; C1161-V1163 PolarHBondContact O-N 3.46Å; V1163-I1165 VanDerWaalsContact C-N 3.29Å; V1163-I1165 PolarHBondContact O-N 2.95Å |
| 1164 | L | 26.5 | Very low | 36.1 | Very low | 123 Ų | 123 | 98.9 Ų | 98.9 | 64% | 0.644 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.9 | -25.6 | 174.8 | -94.4 | 173.7 | 0 | 0 | 0 | 114.2 | C1161 | C1161-L1164 PolarHBondContact O-N 3.34Å |
| 1165 | I | 30.2 | Very low | 34.5 | Very low | 143 Ų | 143 | 100.6 Ų | 100.6 | 73% | 0.733 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -88.4 | -23.9 | -174.7 | -65.8 | 179.1 | 0 | 0 | 0 | 111.9 | V1163 | V1163-I1165 VanDerWaalsContact C-N 3.29Å; V1163-I1165 PolarHBondContact O-N 2.95Å |
| 1166 | N | 26.2 | Very low | 33.1 | Very low | 127 Ų | 127 | 102.1 Ų | 102.1 | 68% | 0.679 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -124 | -8.6 | -164.1 | -83.4 | -24.3 | 0 | 0 | 0 | 121.3 | ||
| 1167 | L | 24.8 | Very low | 32.2 | Very low | 128 Ų | 128 | 102.3 Ų | 102.3 | 67% | 0.67 | 60% | 0.602 | S | S | * | * | trans | -152.1 | 95.1 | 172.2 | -89.4 | 118.3 | 0 | 0 | 0 | 113.7 | A1169 | L1167-A1169 PolarHBondContact O-N 3.45Š| ||
| 1168 | A | 25.7 | Very low | 31.6 | Very low | 118 Ų | 118 | 101.2 Ų | 101.2 | 98% | 0.975 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 26.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1169 | A | 28.7 | Very low | 31.2 | Very low | 93 Ų | 93 | 101.5 Ų | 101.5 | 77% | 0.769 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.6 | 3.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | L1167 | L1167-A1169 PolarHBondContact O-N 3.45Š|
| 1170 | S | 28.2 | Very low | 31.1 | Very low | 83 Ų | 83 | 98.4 Ų | 98.4 | 58% | 0.58 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -151.8 | 120.4 | -178.2 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1171 | N | 26.6 | Very low | 31.2 | Very low | 127 Ų | 127 | 97.8 Ų | 97.8 | 68% | 0.679 | 57% | 0.57 | S | S | * | * | trans | 69.9 | 77.2 | 165.5 | -59.4 | -28.2 | 0 | 0 | 0 | 117.7 | L1173 | N1171-L1173 PolarHBondContact O-N 3.14Š| ||
| 1172 | I | 27.3 | Very low | 31.6 | Very low | 149 Ų | 149 | 94.1 Ų | 94.1 | 76% | 0.764 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -8.4 | 169.4 | -72.7 | 164.8 | 0 | 0 | 0 | 114.3 | ||
| 1173 | L | 27.8 | Very low | 32.5 | Very low | 147 Ų | 147 | 93.8 Ų | 93.8 | 77% | 0.77 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -84.9 | -26 | -172.6 | -91.5 | 143.5 | 0 | 0 | 0 | 115.9 | N1171 T1177 | N1171-L1173 PolarHBondContact O-N 3.14Å; L1173-T1177 PolarHBondContact O-OG1 3.01Å |
| 1174 | S | 29.9 | Very low | 33.7 | Very low | 84 Ų | 84 | 96.9 Ų | 96.9 | 59% | 0.587 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -78.4 | -29.2 | -174.6 | 63.4 | 0 | 0 | 0 | 0 | 113.6 | T1177 | S1174-T1177 PolarHBondContact O-N 3.45Å; S1174-T1177 PolarHBondContact O-OG1 2.84Å |
| 1175 | K | 26.7 | Very low | 35.1 | Very low | 95 Ų | 95 | 91 Ų | 91 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -77 | -29.7 | -177.9 | -142.9 | 179.9 | 179.6 | -157.3 | 0 | 112.9 | T1177 | K1175-T1177 VanDerWaalsContact C-N 3.33Å |
| 1176 | F | 27.9 | Very low | 36.7 | Very low | 146 Ų | 146 | 85 Ų | 85 | 64% | 0.64 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -74 | -24.2 | 174.7 | -93.8 | -81.4 | 0 | 0 | 0 | 112.5 | T1180 | F1176-T1180 HydrophobicContact CD1-CG2 4.03Å; F1176-T1180 VanDerWaalsContact O-CB 3.29Å; F1176-T1180 WeakPolarHBondContact O-CB 3.37Å; F1176-T1180 WeakPolarHBondContact O-CG2 3.49Å; F1176-T1180 PolarHBondContact O-N 2.94Å; F1176-T1180 PolarHBondContact O-OG1 3.27Å |
| 1177 | T | 34.6 | Very low | 38.5 | Very low | 70 Ų | 70 | 81.6 Ų | 81.6 | 43% | 0.429 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.6 | -46.8 | -170.5 | -15.5 | 0 | 0 | 0 | 0 | 112.7 | L1173 S1174 K1175 T1180 V1181 | L1173-T1177 PolarHBondContact O-OG1 3.01Å; S1174-T1177 PolarHBondContact O-N 3.45Å; S1174-T1177 PolarHBondContact O-OG1 2.84Å; K1175-T1177 VanDerWaalsContact C-N 3.33Å; T1177-T1180 PolarHBondContact O-OG1 2.88Å; T1177-V1181 WeakPolarHBondContact O-CB 3.5Å; T1177-V1181 WeakPolarHBondContact O-CG2 3.36Å; T1177-V1181 PolarHBondContact O-N 3.24Å |
| 1178 | F | 37.6 | Very low | 40.4 | Very low | 39 Ų | 39 | 77 Ų | 77 | 17% | 0.171 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -83.8 | -40.4 | -174.7 | -159 | -114.4 | 0 | 0 | 0 | 115.7 | E1152 R1156 T1180 V1181 T1182 | E1152-F1178 HydrophobicContact CG-CZ 4.47Å; R1156-F1178 HydrophobicContact CB-CB 4.47Å; R1156-F1178 HydrophobicContact CB-CD1 3.45Å; R1156-F1178 VanDerWaalsContact CB-CD1 3.45Å; R1156-F1178 HydrophobicContact CB-CE1 3.64Å; R1156-F1178 HydrophobicContact CB-CG 3.98Å; R1156-F1178 HydrophobicContact CB-CZ 4.34Å; R1156-F1178 VanDerWaalsContact CD-CD1 3.44Å; R1156-F1178 HydrophobicContact CG-CD1 4.13Å; R1156-F1178 HydrophobicContact CG-CD2 4.48Å; R1156-F1178 HydrophobicContact CG-CE1 4.23Å; R1156-F1178 HydrophobicContact CG-CG 4.23Å; R1156-F1178 HydrophobicContact CG-CZ 4.47Å; F1178-T1180 PolarHBondContact O-N 3.23Å; F1178-V1181 HydrophobicContact CD2-CB 4.23Å; F1178-V1181 HydrophobicContact CD2-CG1 4.19Å; F1178-V1181 HydrophobicContact CE2-CG1 4.29Å; F1178-V1181 PolarHBondContact O-N 2.98Å; F1178-T1182 HydrophobicContact CD1-CG2 3.82Å; F1178-T1182 HydrophobicContact CD2-CG2 4.33Å; F1178-T1182 HydrophobicContact CE1-CG2 3.25Å; F1178-T1182 HydrophobicContact CE2-CG2 3.8Å; F1178-T1182 HydrophobicContact CG-CG2 4.36Å; F1178-T1182 HydrophobicContact CZ-CG2 3.25Å; F1178-T1182 PolarHBondContact O-N 3.26Å; F1178-T1182 PolarHBondContact O-OG1 3.21Å; F1178-T1182 VanDerWaalsContact O-OG1 3.07Å |
| 1179 | V | 41.4 | Very low | 42.3 | Very low | 77 Ų | 77 | 71.5 Ų | 71.5 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.6 | -37.5 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | E1183 | V1179-E1183 VanDerWaalsContact O-CB 3.22Å; V1179-E1183 WeakPolarHBondContact O-CB 3.25Å; V1179-E1183 WeakPolarHBondContact O-CG 3.01Å; V1179-E1183 PolarHBondContact O-N 3.46Å; V1179-E1183 VanDerWaalsContact O-N 3.13Å |
| 1180 | T | 41.8 | Very low | 44.1 | Very low | 35 Ų | 35 | 70.8 Ų | 70.8 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -75.5 | -33 | 173.2 | 66.5 | 0 | 0 | 0 | 0 | 113.5 | F1176 T1177 F1178 R1184 | F1176-T1180 HydrophobicContact CD1-CG2 4.03Å; F1176-T1180 VanDerWaalsContact O-CB 3.29Å; F1176-T1180 WeakPolarHBondContact O-CB 3.37Å; F1176-T1180 WeakPolarHBondContact O-CG2 3.49Å; F1176-T1180 PolarHBondContact O-N 2.94Å; F1176-T1180 PolarHBondContact O-OG1 3.27Å; T1177-T1180 PolarHBondContact O-OG1 2.88Å; F1178-T1180 PolarHBondContact O-N 3.23Å; T1180-R1184 WeakPolarHBondContact O-CB 3.3Å; T1180-R1184 WeakPolarHBondContact O-CD 3.28Å; T1180-R1184 WeakPolarHBondContact O-CG 3.33Å; T1180-R1184 PolarHBondContact O-N 3.16Å |
| 1181 | V | 44.2 | Very low | 46 | Very low | 12 Ų | 12 | 72.6 Ų | 72.6 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.5 | -45.9 | 177.1 | 163.7 | 0 | 0 | 0 | 0 | 111.5 | M1102 T1177 F1178 N1185 | M1102-V1181 HydrophobicContact CE-CG2 3.7Å; M1102-V1181 HydrophobicContact SD-CB 4.04Å; M1102-V1181 HydrophobicContact SD-CG1 3.44Å; M1102-V1181 WeakPolarHBondContact SD-CG1 3.47Å; M1102-V1181 HydrophobicContact SD-CG2 3.43Å; M1102-V1181 WeakPolarHBondContact SD-CG2 3.43Å; T1177-V1181 WeakPolarHBondContact O-CB 3.5Å; T1177-V1181 WeakPolarHBondContact O-CG2 3.36Å; T1177-V1181 PolarHBondContact O-N 3.24Å; F1178-V1181 HydrophobicContact CD2-CB 4.23Å; F1178-V1181 HydrophobicContact CD2-CG1 4.19Å; F1178-V1181 HydrophobicContact CE2-CG1 4.29Å; F1178-V1181 PolarHBondContact O-N 2.98Å; V1181-N1185 WeakPolarHBondContact CG1-ND2 3.38Å; V1181-N1185 WeakPolarHBondContact O-CB 3.43Å; V1181-N1185 PolarHBondContact O-N 2.94Å; V1181-N1185 PolarHBondContact O-ND2 3.46Å |
| 1182 | T | 47.1 | Very low | 48 | Very low | 14 Ų | 14 | 66.7 Ų | 66.7 | 9% | 0.086 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.1 | -36.3 | 177.2 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | F1178 N1185 Y1186 I1189 | F1178-T1182 HydrophobicContact CD1-CG2 3.82Å; F1178-T1182 HydrophobicContact CD2-CG2 4.33Å; F1178-T1182 HydrophobicContact CE1-CG2 3.25Å; F1178-T1182 HydrophobicContact CE2-CG2 3.8Å; F1178-T1182 HydrophobicContact CG-CG2 4.36Å; F1178-T1182 HydrophobicContact CZ-CG2 3.25Å; F1178-T1182 PolarHBondContact O-N 3.26Å; F1178-T1182 PolarHBondContact O-OG1 3.21Å; F1178-T1182 VanDerWaalsContact O-OG1 3.07Å; T1182-N1185 CarbonylContact O-C 3.53Å; T1182-N1185 PolarHBondContact O-N 3.05Å; T1182-Y1186 VanDerWaalsContact O-CA 3.31Å; T1182-Y1186 WeakPolarHBondContact O-CA 3.42Å; T1182-Y1186 VanDerWaalsContact O-CB 3.32Å; T1182-Y1186 WeakPolarHBondContact O-CB 3.41Å; T1182-Y1186 PolarHBondContact O-N 3.37Å; T1182-I1189 HydrophobicContact CG2-CD1 4.34Å |
| 1183 | E | 49.8 | Very low | 50 | Low | 83 Ų | 83 | 59.7 Ų | 59.7 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 173.5 | -75.6 | -177.6 | 162.7 | 0 | 0 | 111.4 | V1179 N1185 Y1186 S1222 | V1179-E1183 VanDerWaalsContact O-CB 3.22Å; V1179-E1183 WeakPolarHBondContact O-CB 3.25Å; V1179-E1183 WeakPolarHBondContact O-CG 3.01Å; V1179-E1183 PolarHBondContact O-N 3.46Å; V1179-E1183 VanDerWaalsContact O-N 3.13Å; E1183-N1185 VanDerWaalsContact C-N 3.34Å; E1183-N1185 PolarHBondContact O-N 3.31Å; E1183-Y1186 PolarHBondContact O-N 3.24Å; E1183-S1222 VanDerWaalsContact OE1-CB 3.26Å; E1183-S1222 WeakPolarHBondContact OE1-CB 3.45Å; E1183-S1222 PolarHBondContact OE1-OG 3.31Å; E1183-S1222 VanDerWaalsContact OE1-OG 3.08Å |
| 1184 | R | 54.3 | Low | 51.9 | Low | 141 Ų | 141 | 53.4 Ų | 53.4 | 53% | 0.532 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.9 | -33.5 | 176.2 | -72.2 | 172.8 | -176.2 | -172.3 | 2.6 | 112.6 | T1180 | T1180-R1184 WeakPolarHBondContact O-CB 3.3Å; T1180-R1184 WeakPolarHBondContact O-CD 3.28Å; T1180-R1184 WeakPolarHBondContact O-CG 3.33Å; T1180-R1184 PolarHBondContact O-N 3.16Å |
| 1185 | N | 57.3 | Low | 53.9 | Low | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -92.1 | -3.7 | 179.3 | -71.2 | -26.2 | 0 | 0 | 0 | 114 | L1101 A1105 V1181 T1182 E1183 P1187 H1188 I1189 | L1101-N1185 PolarHBondContact O-ND2 3.45Å; A1105-N1185 WeakPolarHBondContact CA-OD1 3.18Å; A1105-N1185 WeakPolarHBondContact CB-OD1 3.21Å; A1105-N1185 PolarHBondContact N-OD1 2.97Å; V1181-N1185 WeakPolarHBondContact CG1-ND2 3.38Å; V1181-N1185 WeakPolarHBondContact O-CB 3.43Å; V1181-N1185 PolarHBondContact O-N 2.94Å; V1181-N1185 PolarHBondContact O-ND2 3.46Å; T1182-N1185 CarbonylContact O-C 3.53Å; T1182-N1185 PolarHBondContact O-N 3.05Å; E1183-N1185 VanDerWaalsContact C-N 3.34Å; E1183-N1185 PolarHBondContact O-N 3.31Å; N1185-P1187 VanDerWaalsContact C-N 3.29Å; N1185-H1188 WeakPolarHBondContact O-CA 3.48Å; N1185-H1188 PolarHBondContact O-N 3.3Å; N1185-I1189 HydrophobicContact CB-CD1 3.84Å; N1185-I1189 HydrophobicContact CB-CG1 4.12Å; N1185-I1189 WeakPolarHBondContact O-CG1 3.45Å; N1185-I1189 PolarHBondContact O-N 3.41Å |
| 1186 | Y | 63 | Low | 55.9 | Low | 15 Ų | 15 | 47.5 Ų | 47.5 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -52.6 | -42.6 | -174.8 | -179 | -98.3 | 0 | 0 | 0 | 112.7 | T1182 E1183 H1188 I1189 R1190 C1220 L1221 F1234 | T1182-Y1186 VanDerWaalsContact O-CA 3.31Å; T1182-Y1186 WeakPolarHBondContact O-CA 3.42Å; T1182-Y1186 VanDerWaalsContact O-CB 3.32Å; T1182-Y1186 WeakPolarHBondContact O-CB 3.41Å; T1182-Y1186 PolarHBondContact O-N 3.37Å; E1183-Y1186 PolarHBondContact O-N 3.24Å; Y1186-H1188 VanDerWaalsContact C-N 3.33Å; Y1186-H1188 PolarHBondContact O-N 2.84Å; Y1186-I1189 PolarHBondContact O-N 2.9Å; Y1186-R1190 HydrophobicContact CE1-CB 4.39Å; Y1186-R1190 WeakPolarHBondContact O-CB 3.31Å; Y1186-R1190 PolarHBondContact O-N 3.46Å; Y1186-C1220 HydrophobicContact CD2-CB 3.66Å; Y1186-C1220 HydrophobicContact CE2-CB 4Å; Y1186-L1221 HydrophobicContact CE1-CD2 4.25Å; Y1186-L1221 HydrophobicContact CE2-CD2 4.04Å; Y1186-L1221 HydrophobicContact CE2-CG 3.97Å; Y1186-L1221 VanDerWaalsContact OH-CD2 3.27Å; Y1186-L1221 WeakPolarHBondContact OH-CD2 3.42Å; Y1186-F1234 AromaticContact CE1-CD1 3.94Å; Y1186-F1234 HydrophobicContact CE1-CD1 3.94Å; Y1186-F1234 HydrophobicContact CE1-CE1 4.34Å |
| 1187 | P | 63.7 | Low | 57.7 | Low | 56 Ų | 56 | 41 Ų | 41 | 36% | 0.364 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58 | -42.9 | 175.6 | -24 | 34.9 | 0 | 0 | 0 | 112.9 | N1185 F1191 | N1185-P1187 VanDerWaalsContact C-N 3.29Å; P1187-F1191 WeakPolarHBondContact O-CB 3.39Å; P1187-F1191 PolarHBondContact O-N 3.43Å |
| 1188 | H | 65.6 | Low | 59.3 | Low | 31 Ų | 31 | 44.4 Ų | 44.4 | 14% | 0.144 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.8 | -46.5 | 178.8 | -62.7 | -55.4 | 0 | 0 | 0 | 112 | L1131 N1185 Y1186 R1190 F1191 V1192 | L1131-H1188 HydrophobicContact CD1-CB 4.3Å; N1185-H1188 WeakPolarHBondContact O-CA 3.48Å; N1185-H1188 PolarHBondContact O-N 3.3Å; Y1186-H1188 VanDerWaalsContact C-N 3.33Å; Y1186-H1188 PolarHBondContact O-N 2.84Å; H1188-R1190 VanDerWaalsContact C-N 3.3Å; H1188-R1190 PolarHBondContact O-N 3.49Å; H1188-F1191 PolarHBondContact O-N 2.77Å; H1188-V1192 VanDerWaalsContact O-CG2 3.3Å; H1188-V1192 WeakPolarHBondContact O-CG2 3.36Å; H1188-V1192 PolarHBondContact O-N 3.46Å |
| 1189 | I | 65.5 | Low | 60.7 | Low | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.4 | -47.5 | 175.1 | -69.6 | 170 | 0 | 0 | 0 | 109.7 | L1101 L1149 T1182 N1185 Y1186 F1191 V1192 I1193 I1216 | L1101-I1189 HydrophobicContact CD1-CD1 4.43Å; L1101-I1189 HydrophobicContact CD1-CG1 4.28Å; L1101-I1189 HydrophobicContact CD2-CD1 4.46Å; L1101-I1189 HydrophobicContact CD2-CG1 3.7Å; L1149-I1189 HydrophobicContact CD2-CG2 4.15Å; T1182-I1189 HydrophobicContact CG2-CD1 4.34Å; N1185-I1189 HydrophobicContact CB-CD1 3.84Å; N1185-I1189 HydrophobicContact CB-CG1 4.12Å; N1185-I1189 WeakPolarHBondContact O-CG1 3.45Å; N1185-I1189 PolarHBondContact O-N 3.41Å; Y1186-I1189 PolarHBondContact O-N 2.9Å; I1189-F1191 PolarHBondContact O-N 2.98Å; I1189-V1192 PolarHBondContact O-N 2.93Å; I1189-I1193 HydrophobicContact CG2-CD1 3.52Å; I1189-I1193 HydrophobicContact CG2-CG1 4.32Å; I1189-I1193 VanDerWaalsContact O-CB 3.32Å; I1189-I1193 WeakPolarHBondContact O-CB 3.32Å; I1189-I1193 WeakPolarHBondContact O-CD1 3.5Å; I1189-I1193 WeakPolarHBondContact O-CG1 3.25Å; I1189-I1193 PolarHBondContact O-N 3.37Å; I1189-I1216 HydrophobicContact CG2-CG2 4.12Å |
| 1190 | R | 66.6 | Low | 61.5 | Low | 77 Ų | 77 | 45.2 Ų | 45.2 | 29% | 0.291 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56 | -52 | 175.4 | 174.7 | -170.8 | 166.3 | 169 | 7.2 | 110.9 | Y1186 H1188 V1192 I1193 E1194 F1234 | Y1186-R1190 HydrophobicContact CE1-CB 4.39Å; Y1186-R1190 WeakPolarHBondContact O-CB 3.31Å; Y1186-R1190 PolarHBondContact O-N 3.46Å; H1188-R1190 VanDerWaalsContact C-N 3.3Å; H1188-R1190 PolarHBondContact O-N 3.49Å; R1190-V1192 PolarHBondContact O-N 3.43Å; R1190-I1193 PolarHBondContact O-N 3.17Å; R1190-E1194 HydrophobicContact CG-CG 4.39Å; R1190-E1194 IonicContact CZ-OE1 3.82Å; R1190-E1194 IonicContact NE-OE1 3.5Å; R1190-E1194 PolarHBondContact NE-OE1 2.96Å; R1190-E1194 IonicContact NH2-OE1 2.72Å; R1190-E1194 PolarHBondContact NH2-OE1 2.78Å; R1190-E1194 WeakPolarHBondContact O-CB 3.31Å; R1190-E1194 WeakPolarHBondContact O-CG 3.2Å; R1190-E1194 PolarHBondContact O-N 3.18Å; R1190-F1234 WeakPolarHBondContact CD-O 3.5Å; R1190-F1234 PolarHBondContact NE-O 3.21Å; R1190-F1234 PolarHBondContact NH1-O 3.39Å; R1190-F1234 PolarHBondContact NH2-O 3.41Å; R1190-F1234 VanDerWaalsContact NH2-O 3.15Å |
| 1191 | F | 67.7 | Low | 62.1 | Low | 122 Ų | 122 | 44.6 Ų | 44.6 | 54% | 0.535 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.8 | -39.3 | -174.9 | -166.6 | -76.2 | 0 | 0 | 0 | 111.5 | F1135 P1187 H1188 I1189 E1194 H1195 | F1135-F1191 AromaticContact CE1-CD1 3.35Å; F1135-F1191 HydrophobicContact CE1-CD1 3.35Å; F1135-F1191 AromaticContact CE1-CE1 3.58Å; F1135-F1191 HydrophobicContact CE1-CE1 3.58Å; F1135-F1191 HydrophobicContact CE2-CD1 4.35Å; F1135-F1191 HydrophobicContact CE2-CE1 4.33Å; F1135-F1191 AromaticContact CZ-CD1 3.14Å; F1135-F1191 HydrophobicContact CZ-CD1 3.14Å; F1135-F1191 AromaticContact CZ-CE1 3.36Å; F1135-F1191 HydrophobicContact CZ-CE1 3.36Å; F1135-F1191 HydrophobicContact CZ-CG 4.3Å; P1187-F1191 WeakPolarHBondContact O-CB 3.39Å; P1187-F1191 PolarHBondContact O-N 3.43Å; H1188-F1191 PolarHBondContact O-N 2.77Å; I1189-F1191 PolarHBondContact O-N 2.98Å; F1191-E1194 PolarHBondContact O-N 2.99Å; F1191-H1195 WeakPolarHBondContact O-CB 3.42Å; F1191-H1195 PolarHBondContact O-N 2.96Å |
| 1192 | V | 68.3 | Low | 62.4 | Low | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.4 | -39 | 175.1 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | L1131 L1134 F1135 F1145 H1188 I1189 R1190 H1195 A1196 | L1131-V1192 HydrophobicContact CD1-CG2 4.26Å; L1134-V1192 HydrophobicContact CB-CG2 4.28Å; F1135-V1192 HydrophobicContact CD1-CG2 4.24Å; F1135-V1192 HydrophobicContact CE1-CB 4.35Å; F1135-V1192 HydrophobicContact CE1-CG2 3.75Å; F1135-V1192 HydrophobicContact CZ-CG2 3.9Å; F1145-V1192 HydrophobicContact CE1-CG1 3.52Å; F1145-V1192 HydrophobicContact CE2-CG1 4.45Å; F1145-V1192 HydrophobicContact CZ-CG1 3.47Å; F1145-V1192 VanDerWaalsContact CZ-CG1 3.47Å; H1188-V1192 VanDerWaalsContact O-CG2 3.3Å; H1188-V1192 WeakPolarHBondContact O-CG2 3.36Å; H1188-V1192 PolarHBondContact O-N 3.46Å; I1189-V1192 PolarHBondContact O-N 2.93Å; R1190-V1192 PolarHBondContact O-N 3.43Å; V1192-H1195 WeakPolarHBondContact O-CB 3.01Å; V1192-H1195 PolarHBondContact O-N 2.88Å; V1192-A1196 WeakPolarHBondContact O-CB 3.47Å; V1192-A1196 PolarHBondContact O-N 3.11Å |
| 1193 | I | 68.8 | Low | 62.7 | Low | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 173.9 | -73.6 | 169.8 | 0 | 0 | 0 | 111.1 | L1149 I1189 R1190 H1195 A1196 V1197 V1213 I1216 I1217 | L1149-I1193 HydrophobicContact CD2-CD1 4.07Å; L1149-I1193 HydrophobicContact CD2-CG1 4.07Å; I1189-I1193 HydrophobicContact CG2-CD1 3.52Å; I1189-I1193 HydrophobicContact CG2-CG1 4.32Å; I1189-I1193 VanDerWaalsContact O-CB 3.32Å; I1189-I1193 WeakPolarHBondContact O-CB 3.32Å; I1189-I1193 WeakPolarHBondContact O-CD1 3.5Å; I1189-I1193 WeakPolarHBondContact O-CG1 3.25Å; I1189-I1193 PolarHBondContact O-N 3.37Å; R1190-I1193 PolarHBondContact O-N 3.17Å; I1193-H1195 PolarHBondContact O-N 3Å; I1193-A1196 PolarHBondContact O-N 3.02Å; I1193-V1197 HydrophobicContact CG2-CG2 4.27Å; I1193-V1197 WeakPolarHBondContact O-CB 3.5Å; I1193-V1197 VanDerWaalsContact O-CG2 3.25Å; I1193-V1197 WeakPolarHBondContact O-CG2 3.42Å; I1193-V1197 PolarHBondContact O-N 3.18Å; I1193-V1213 HydrophobicContact CG2-CB 4.29Å; I1193-V1213 HydrophobicContact CG2-CG1 3.47Å; I1193-V1213 VanDerWaalsContact CG2-CG1 3.47Å; I1193-V1213 HydrophobicContact CG2-CG2 3.92Å; I1193-I1216 HydrophobicContact CD1-CB 4.15Å; I1193-I1216 HydrophobicContact CD1-CD1 4.37Å; I1193-I1216 HydrophobicContact CD1-CG2 3.52Å; I1193-I1217 HydrophobicContact CG2-CD1 4.37Å |
| 1194 | E | 69.3 | Low | 62.8 | Low | 15 Ų | 15 | 59.8 Ų | 59.8 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58 | -41.3 | 177.2 | -78.2 | -167.3 | -160.1 | 0 | 0 | 110.7 | R1190 F1191 R1198 | R1190-E1194 HydrophobicContact CG-CG 4.39Å; R1190-E1194 IonicContact CZ-OE1 3.82Å; R1190-E1194 IonicContact NE-OE1 3.5Å; R1190-E1194 PolarHBondContact NE-OE1 2.96Å; R1190-E1194 IonicContact NH2-OE1 2.72Å; R1190-E1194 PolarHBondContact NH2-OE1 2.78Å; R1190-E1194 WeakPolarHBondContact O-CB 3.31Å; R1190-E1194 WeakPolarHBondContact O-CG 3.2Å; R1190-E1194 PolarHBondContact O-N 3.18Å; F1191-E1194 PolarHBondContact O-N 2.99Å; E1194-R1198 WeakPolarHBondContact O-CB 3.27Å; E1194-R1198 VanDerWaalsContact O-CG 3.3Å; E1194-R1198 WeakPolarHBondContact O-CG 3.27Å; E1194-R1198 PolarHBondContact O-N 2.98Å; E1194-R1198 IonicContact OE2-CZ 3.57Å; E1194-R1198 IonicContact OE2-NH1 2.74Å; E1194-R1198 IonicContact OE2-NH2 3.79Å; E1194-R1198 PolarHBondContact OE2-NH2 3.48Å |
| 1195 | H | 69.9 | Low | 62.8 | Low | 55 Ų | 55 | 54.7 Ų | 54.7 | 26% | 0.255 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.5 | -50.4 | 173.8 | -179.4 | -98.9 | 0 | 0 | 0 | 112.1 | F1135 S1138 H1139 F1191 V1192 I1193 V1197 R1198 C1199 | F1135-H1195 HydrophobicContact CD1-CB 4.13Å; F1135-H1195 AromaticContact CD1-CG 3.92Å; F1135-H1195 AromaticContact CD1-ND1 3.92Å; F1135-H1195 HydrophobicContact CE1-CB 4.07Å; S1138-H1195 PolarHBondContact OG-ND1 3.22Å; S1138-H1195 VanDerWaalsContact OG-ND1 3.16Å; H1139-H1195 AromaticContact CG-CE1 3.96Å; H1139-H1195 AromaticContact ND1-CE1 3.38Å; H1139-H1195 PolarHBondContact ND1-CE1 2.89Å; H1139-H1195 AromaticContact ND1-NE2 3.64Å; F1191-H1195 WeakPolarHBondContact O-CB 3.42Å; F1191-H1195 PolarHBondContact O-N 2.96Å; V1192-H1195 WeakPolarHBondContact O-CB 3.01Å; V1192-H1195 PolarHBondContact O-N 2.88Å; I1193-H1195 PolarHBondContact O-N 3Å; H1195-V1197 VanDerWaalsContact C-N 3.28Å; H1195-V1197 PolarHBondContact O-N 3.14Å; H1195-R1198 PolarHBondContact O-N 3.46Å; H1195-R1198 VanDerWaalsContact O-N 3.15Å; H1195-C1199 PolarHBondContact O-N 3.25Å; H1195-C1199 VanDerWaalsContact O-N 3.08Å; H1195-C1199 PolarHBondContact O-SG 2.99Å |
| 1196 | A | 68.6 | Low | 62.7 | Low | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.7 | -37.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1142 V1146 V1192 I1193 | P1142-A1196 HydrophobicContact CB-CB 4.09Å; V1146-A1196 HydrophobicContact CG2-CB 4.18Å; V1192-A1196 WeakPolarHBondContact O-CB 3.47Å; V1192-A1196 PolarHBondContact O-N 3.11Å; I1193-A1196 PolarHBondContact O-N 3.02Å |
| 1197 | V | 67 | Low | 62.5 | Low | 9 Ų | 9 | 57.6 Ų | 57.6 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -74.3 | -33.8 | 178.1 | 173.3 | 0 | 0 | 0 | 0 | 112.4 | I1193 H1195 R1206 L1210 V1213 F1241 | I1193-V1197 HydrophobicContact CG2-CG2 4.27Å; I1193-V1197 WeakPolarHBondContact O-CB 3.5Å; I1193-V1197 VanDerWaalsContact O-CG2 3.25Å; I1193-V1197 WeakPolarHBondContact O-CG2 3.42Å; I1193-V1197 PolarHBondContact O-N 3.18Å; H1195-V1197 VanDerWaalsContact C-N 3.28Å; H1195-V1197 PolarHBondContact O-N 3.14Å; V1197-R1206 PolarHBondContact O-NH2 3.19Å; V1197-L1210 HydrophobicContact CG1-CD2 4Å; V1197-L1210 HydrophobicContact CG2-CD2 4.48Å; V1197-V1213 HydrophobicContact CG2-CB 4.45Å; V1197-V1213 HydrophobicContact CG2-CG1 4.21Å; V1197-V1213 HydrophobicContact CG2-CG2 3.64Å; V1197-F1241 HydrophobicContact CG1-CE2 3.53Å; V1197-F1241 HydrophobicContact CG1-CZ 3.57Å |
| 1198 | R | 67.8 | Low | 62.2 | Low | 142 Ų | 142 | 62.7 Ų | 62.7 | 54% | 0.536 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.2 | -28.7 | 177 | -79.2 | -178.6 | -170.8 | 129 | 11.9 | 112.6 | E1194 H1195 R1206 T1237 | E1194-R1198 WeakPolarHBondContact O-CB 3.27Å; E1194-R1198 VanDerWaalsContact O-CG 3.3Å; E1194-R1198 WeakPolarHBondContact O-CG 3.27Å; E1194-R1198 PolarHBondContact O-N 2.98Å; E1194-R1198 IonicContact OE2-CZ 3.57Å; E1194-R1198 IonicContact OE2-NH1 2.74Å; E1194-R1198 IonicContact OE2-NH2 3.79Å; E1194-R1198 PolarHBondContact OE2-NH2 3.48Å; H1195-R1198 PolarHBondContact O-N 3.46Å; H1195-R1198 VanDerWaalsContact O-N 3.15Å; R1198-R1206 PolarHBondContact O-NH2 3.32Å; R1198-T1237 VanDerWaalsContact NH2-CG2 3.3Å |
| 1199 | C | 66.7 | Low | 62.1 | Low | 10 Ų | 10 | 61.3 Ų | 61.3 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -51.5 | 144.9 | -179.9 | -72.4 | 0 | 0 | 0 | 0 | 112.3 | H1139 H1195 I1201 | H1139-C1199 PolarHBondContact ND1-SG 3.1Å; H1139-C1199 VanDerWaalsContact ND1-SG 3.43Å; H1195-C1199 PolarHBondContact O-N 3.25Å; H1195-C1199 VanDerWaalsContact O-N 3.08Å; H1195-C1199 PolarHBondContact O-SG 2.99Å; C1199-I1201 HydrophobicContact CB-CG1 4.5Å; C1199-I1201 PolarHBondContact O-N 3.44Å |
| 1200 | P | 59.3 | Low | 62.1 | Low | 122 Ų | 122 | 61.5 Ų | 61.5 | 79% | 0.792 | 29% | 0.294 | S | S | * | . | trans | -70.6 | 77.2 | 177.9 | 28.6 | -32.8 | 0 | 0 | 0 | 110.4 | ||||
| 1201 | I | 54.3 | Low | 61.9 | Low | 22 Ų | 22 | 59.6 Ų | 59.6 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | trans | -77.1 | 134.1 | 173.4 | -53.5 | 175 | 0 | 0 | 0 | 107.4 | P1142 C1199 S1203 A1205 R1206 C1209 | P1142-I1201 HydrophobicContact CB-CD1 3.83Å; P1142-I1201 HydrophobicContact CB-CG1 4.33Å; P1142-I1201 HydrophobicContact CG-CD1 3.66Å; P1142-I1201 HydrophobicContact CG-CG1 3.63Å; C1199-I1201 HydrophobicContact CB-CG1 4.5Å; C1199-I1201 PolarHBondContact O-N 3.44Å; I1201-S1203 PolarHBondContact O-N 3.42Å; I1201-A1205 HydrophobicContact CG2-CB 3.43Å; I1201-A1205 VanDerWaalsContact CG2-CB 3.43Å; I1201-R1206 HydrophobicContact CB-CB 4.12Å; I1201-R1206 HydrophobicContact CB-CG 4.23Å; I1201-R1206 HydrophobicContact CD1-CG 4.31Å; I1201-R1206 HydrophobicContact CG2-CB 4.19Å; I1201-C1209 HydrophobicContact CD1-CB 4.41Å | ||
| 1202 | R | 50.4 | Low | 61.9 | Low | 223 Ų | 223 | 57.7 Ų | 57.7 | 84% | 0.842 | 28% | 0.28 | S | S | * | . | trans | -44.1 | 132.2 | 165.5 | -74.5 | -175.5 | 178.4 | 178.9 | -0.1 | 108.4 | N1204 A1205 R1206 | R1202-N1204 PolarHBondContact O-N 3.2Å; R1202-A1205 PolarHBondContact O-N 2.92Å; R1202-R1206 PolarHBondContact O-N 3Å | ||
| 1203 | S | 52.5 | Low | 61.8 | Low | 100 Ų | 100 | 57.7 Ų | 57.7 | 70% | 0.699 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -43.8 | -37.4 | -173.9 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | I1201 | I1201-S1203 PolarHBondContact O-N 3.42Å |
| 1204 | N | 52.2 | Low | 61.5 | Low | 105 Ų | 105 | 57.6 Ų | 57.6 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.3 | -38.1 | 178.9 | -79.7 | -20.4 | 0 | 0 | 0 | 116.4 | R1202 R1258 | R1202-N1204 PolarHBondContact O-N 3.2Å; N1204-R1258 VanDerWaalsContact CA-NH2 3.35Å; N1204-R1258 PolarHBondContact O-NH1 3.34Å; N1204-R1258 PolarHBondContact O-NH2 2.81Å; N1204-R1258 PolarHBondContact OD1-NH2 3.48Å |
| 1205 | A | 53.6 | Low | 61.3 | Low | 35 Ų | 35 | 58.5 Ų | 58.5 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -84.2 | -23.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1201 R1202 G1207 R1208 C1209 | I1201-A1205 HydrophobicContact CG2-CB 3.43Å; I1201-A1205 VanDerWaalsContact CG2-CB 3.43Å; R1202-A1205 PolarHBondContact O-N 2.92Å; A1205-G1207 PolarHBondContact O-N 3.02Å; A1205-R1208 PolarHBondContact O-N 2.83Å; A1205-C1209 PolarHBondContact O-N 2.86Å; A1205-C1209 PolarHBondContact O-SG 2.96Å |
| 1206 | R | 55.9 | Low | 61 | Low | 63 Ų | 63 | 55.9 Ų | 55.9 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | -175.3 | -153.5 | 171.4 | -164 | 159.7 | 8.2 | 112.7 | V1197 R1198 I1201 R1202 R1208 C1209 L1210 | V1197-R1206 PolarHBondContact O-NH2 3.19Å; R1198-R1206 PolarHBondContact O-NH2 3.32Å; I1201-R1206 HydrophobicContact CB-CB 4.12Å; I1201-R1206 HydrophobicContact CB-CG 4.23Å; I1201-R1206 HydrophobicContact CD1-CG 4.31Å; I1201-R1206 HydrophobicContact CG2-CB 4.19Å; R1202-R1206 PolarHBondContact O-N 3Å; R1206-R1208 PolarHBondContact O-N 3.31Å; R1206-C1209 WeakPolarHBondContact O-CB 3.37Å; R1206-C1209 PolarHBondContact O-N 2.77Å; R1206-L1210 WeakPolarHBondContact O-CG 3.47Å; R1206-L1210 PolarHBondContact O-N 3.26Å; R1206-L1210 VanDerWaalsContact O-N 3.16Å |
| 1207 | G | 57.9 | Low | 60.7 | Low | 13 Ų | 13 | 56.3 Ų | 56.3 | 13% | 0.134 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1205 | A1205-G1207 PolarHBondContact O-N 3.02Å |
| 1208 | R | 58.2 | Low | 60.4 | Low | 163 Ų | 163 | 57.7 Ų | 57.7 | 62% | 0.615 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.9 | -40.9 | 175.5 | -74.2 | -175.4 | 177.4 | 168.4 | -0.3 | 111.7 | A1205 R1206 L1210 L1211 Y1212 | A1205-R1208 PolarHBondContact O-N 2.83Å; R1206-R1208 PolarHBondContact O-N 3.31Å; R1208-L1210 VanDerWaalsContact C-N 3.31Å; R1208-L1210 PolarHBondContact O-N 3.17Å; R1208-L1211 PolarHBondContact O-N 3.02Å; R1208-Y1212 VanDerWaalsContact O-CD2 3.22Å; R1208-Y1212 WeakPolarHBondContact O-CD2 3.22Å |
| 1209 | C | 64.6 | Low | 59.9 | Low | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60 | -41.7 | 178.6 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | S1143 I1201 A1205 R1206 L1211 Y1212 V1213 | S1143-C1209 WeakPolarHBondContact CA-SG 3.16Å; S1143-C1209 WeakPolarHBondContact CB-SG 3.4Å; I1201-C1209 HydrophobicContact CD1-CB 4.41Å; A1205-C1209 PolarHBondContact O-N 2.86Å; A1205-C1209 PolarHBondContact O-SG 2.96Å; R1206-C1209 WeakPolarHBondContact O-CB 3.37Å; R1206-C1209 PolarHBondContact O-N 2.77Å; C1209-L1211 VanDerWaalsContact C-N 3.28Å; C1209-L1211 PolarHBondContact O-N 3.22Å; C1209-Y1212 PolarHBondContact O-N 3.28Å; C1209-V1213 WeakPolarHBondContact O-CG2 3.48Å; C1209-V1213 PolarHBondContact O-N 3.22Å |
| 1210 | L | 65.5 | Low | 59.5 | Low | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -32.7 | -175.6 | -71.7 | 167 | 0 | 0 | 0 | 113.6 | V1197 R1206 R1208 V1213 A1214 L1238 F1241 M1243 I1244 | V1197-L1210 HydrophobicContact CG1-CD2 4Å; V1197-L1210 HydrophobicContact CG2-CD2 4.48Å; R1206-L1210 WeakPolarHBondContact O-CG 3.47Å; R1206-L1210 PolarHBondContact O-N 3.26Å; R1206-L1210 VanDerWaalsContact O-N 3.16Å; R1208-L1210 VanDerWaalsContact C-N 3.31Å; R1208-L1210 PolarHBondContact O-N 3.17Å; L1210-V1213 PolarHBondContact O-N 3.12Å; L1210-A1214 WeakPolarHBondContact O-CB 3.24Å; L1210-A1214 PolarHBondContact O-N 3.25Å; L1210-L1238 HydrophobicContact CD2-CD2 4.4Å; L1210-F1241 HydrophobicContact CD1-CB 4.22Å; L1210-F1241 HydrophobicContact CD1-CD1 3.4Å; L1210-F1241 HydrophobicContact CD1-CD2 4.11Å; L1210-F1241 HydrophobicContact CD1-CE1 3.7Å; L1210-F1241 HydrophobicContact CD1-CE2 4.39Å; L1210-F1241 HydrophobicContact CD1-CG 3.63Å; L1210-F1241 HydrophobicContact CD1-CZ 4.19Å; L1210-F1241 HydrophobicContact CD2-CD1 4.25Å; L1210-F1241 HydrophobicContact CD2-CD2 3.57Å; L1210-F1241 HydrophobicContact CD2-CE1 4.11Å; L1210-F1241 HydrophobicContact CD2-CE2 3.43Å; L1210-F1241 VanDerWaalsContact CD2-CE2 3.43Å; L1210-F1241 HydrophobicContact CD2-CG 4Å; L1210-F1241 HydrophobicContact CD2-CZ 3.72Å; L1210-F1241 HydrophobicContact CG-CD1 4.46Å; L1210-F1241 HydrophobicContact CG-CE1 4.47Å; L1210-F1241 HydrophobicContact CG-CG 4.48Å; L1210-M1243 HydrophobicContact CD1-SD 4.28Å; L1210-I1244 HydrophobicContact CB-CD1 4.4Å |
| 1211 | L | 62.2 | Low | 59.4 | Low | 37 Ų | 37 | 47.8 Ų | 47.8 | 19% | 0.194 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.5 | -45.3 | 175.6 | -65.4 | 172.8 | 0 | 0 | 0 | 111.5 | R1208 C1209 V1213 A1214 D1215 F1255 T1257 | R1208-L1211 PolarHBondContact O-N 3.02Å; C1209-L1211 VanDerWaalsContact C-N 3.28Å; C1209-L1211 PolarHBondContact O-N 3.22Å; L1211-V1213 VanDerWaalsContact C-N 3.31Å; L1211-V1213 PolarHBondContact O-N 3.34Å; L1211-A1214 VanDerWaalsContact O-CB 3.25Å; L1211-A1214 WeakPolarHBondContact O-CB 3.35Å; L1211-A1214 PolarHBondContact O-N 2.97Å; L1211-D1215 PolarHBondContact O-N 3.34Å; L1211-F1255 HydrophobicContact CD2-CB 3.87Å; L1211-T1257 HydrophobicContact CD1-CG2 3.74Å; L1211-T1257 HydrophobicContact CD2-CG2 3.82Å; L1211-T1257 HydrophobicContact CG-CG2 4.45Å |
| 1212 | Y | 67.7 | Low | 59.2 | Low | 83 Ų | 83 | 47.8 Ų | 47.8 | 33% | 0.325 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.1 | -35.7 | 175.9 | -65.2 | -64 | 0 | 0 | 0 | 112.1 | T1147 S1150 R1208 C1209 A1214 D1215 I1216 | T1147-Y1212 HydrophobicContact CG2-CE1 4.11Å; T1147-Y1212 HydrophobicContact CG2-CE2 4.22Å; T1147-Y1212 WeakPolarHBondContact OG1-CE2 3.48Å; S1150-Y1212 WeakPolarHBondContact OG-CD1 3.41Å; R1208-Y1212 VanDerWaalsContact O-CD2 3.22Å; R1208-Y1212 WeakPolarHBondContact O-CD2 3.22Å; C1209-Y1212 PolarHBondContact O-N 3.28Å; Y1212-A1214 VanDerWaalsContact C-N 3.3Å; Y1212-A1214 PolarHBondContact O-N 3.13Å; Y1212-D1215 PolarHBondContact O-N 2.85Å; Y1212-I1216 VanDerWaalsContact O-CD1 3.31Å; Y1212-I1216 WeakPolarHBondContact O-CD1 3.3Å; Y1212-I1216 WeakPolarHBondContact O-CG1 3.34Å; Y1212-I1216 PolarHBondContact O-N 3.09Å |
| 1213 | V | 65.7 | Low | 59.4 | Low | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 172.8 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | V1146 I1193 V1197 C1209 L1210 L1211 I1216 I1217 L1238 | V1146-V1213 HydrophobicContact CB-CG2 4.46Å; V1146-V1213 HydrophobicContact CG1-CB 4.35Å; V1146-V1213 HydrophobicContact CG1-CG2 3.49Å; V1146-V1213 VanDerWaalsContact CG1-CG2 3.49Å; V1146-V1213 HydrophobicContact CG2-CG2 4.04Å; I1193-V1213 HydrophobicContact CG2-CB 4.29Å; I1193-V1213 HydrophobicContact CG2-CG1 3.47Å; I1193-V1213 VanDerWaalsContact CG2-CG1 3.47Å; I1193-V1213 HydrophobicContact CG2-CG2 3.92Å; V1197-V1213 HydrophobicContact CG2-CB 4.45Å; V1197-V1213 HydrophobicContact CG2-CG1 4.21Å; V1197-V1213 HydrophobicContact CG2-CG2 3.64Å; C1209-V1213 WeakPolarHBondContact O-CG2 3.48Å; C1209-V1213 PolarHBondContact O-N 3.22Å; L1210-V1213 PolarHBondContact O-N 3.12Å; L1211-V1213 VanDerWaalsContact C-N 3.31Å; L1211-V1213 PolarHBondContact O-N 3.34Å; V1213-I1216 PolarHBondContact O-N 3.09Å; V1213-I1217 HydrophobicContact CG1-CD1 3.68Å; V1213-I1217 HydrophobicContact CG1-CG1 4.47Å; V1213-I1217 WeakPolarHBondContact O-CB 3.39Å; V1213-I1217 WeakPolarHBondContact O-CG1 3.37Å; V1213-I1217 PolarHBondContact O-N 2.77Å; V1213-L1238 HydrophobicContact CG1-CD1 4.35Å; V1213-L1238 HydrophobicContact CG1-CD2 4.04Å; V1213-L1238 HydrophobicContact CG1-CG 4.28Å |
| 1214 | A | 63.3 | Low | 59.6 | Low | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.4 | -49.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1210 L1211 Y1212 I1216 I1217 I1218 F1255 | L1210-A1214 WeakPolarHBondContact O-CB 3.24Å; L1210-A1214 PolarHBondContact O-N 3.25Å; L1211-A1214 VanDerWaalsContact O-CB 3.25Å; L1211-A1214 WeakPolarHBondContact O-CB 3.35Å; L1211-A1214 PolarHBondContact O-N 2.97Å; Y1212-A1214 VanDerWaalsContact C-N 3.3Å; Y1212-A1214 PolarHBondContact O-N 3.13Å; A1214-I1216 PolarHBondContact O-N 3Å; A1214-I1217 PolarHBondContact O-N 2.7Å; A1214-I1218 WeakPolarHBondContact O-CD1 3.36Å; A1214-I1218 VanDerWaalsContact O-CG1 3.32Å; A1214-I1218 WeakPolarHBondContact O-CG1 3.19Å; A1214-I1218 PolarHBondContact O-N 3.12Å; A1214-F1255 HydrophobicContact CB-CD1 3.5Å; A1214-F1255 VanDerWaalsContact CB-CD1 3.5Å; A1214-F1255 HydrophobicContact CB-CD2 3.97Å; A1214-F1255 HydrophobicContact CB-CE1 3.14Å; A1214-F1255 HydrophobicContact CB-CE2 3.62Å; A1214-F1255 HydrophobicContact CB-CG 3.91Å; A1214-F1255 HydrophobicContact CB-CZ 3.2Å |
| 1215 | D | 63.7 | Low | 59.8 | Low | 34 Ų | 34 | 40 Ų | 40 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57 | -50.2 | 177.9 | -68.1 | -20.1 | 0 | 0 | 0 | 110.4 | L1211 Y1212 I1217 I1218 H1219 Y1265 | L1211-D1215 PolarHBondContact O-N 3.34Å; Y1212-D1215 PolarHBondContact O-N 2.85Å; D1215-I1217 VanDerWaalsContact C-N 3.35Å; D1215-I1217 PolarHBondContact O-N 2.99Å; D1215-I1218 PolarHBondContact O-N 3.43Å; D1215-H1219 WeakPolarHBondContact O-CB 3.26Å; D1215-H1219 PolarHBondContact O-N 2.85Å; D1215-H1219 PolarHBondContact O-ND1 2.87Å; D1215-Y1265 PolarHBondContact OD1-OH 3.02Å |
| 1216 | I | 64.6 | Low | 59.8 | Low | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.3 | -47 | 178.4 | -62.3 | 155.2 | 0 | 0 | 0 | 111.2 | V1146 L1149 I1189 I1193 Y1212 V1213 A1214 I1218 H1219 C1220 | V1146-I1216 HydrophobicContact CG1-CD1 3.64Å; L1149-I1216 HydrophobicContact CB-CD1 3.8Å; L1149-I1216 HydrophobicContact CB-CG1 4.39Å; L1149-I1216 HydrophobicContact CD2-CD1 3.78Å; L1149-I1216 HydrophobicContact CD2-CG1 4.42Å; L1149-I1216 HydrophobicContact CD2-CG2 4.04Å; L1149-I1216 HydrophobicContact CG-CD1 3.7Å; L1149-I1216 HydrophobicContact CG-CG1 4.02Å; L1149-I1216 HydrophobicContact CG-CG2 4.07Å; I1189-I1216 HydrophobicContact CG2-CG2 4.12Å; I1193-I1216 HydrophobicContact CD1-CB 4.15Å; I1193-I1216 HydrophobicContact CD1-CD1 4.37Å; I1193-I1216 HydrophobicContact CD1-CG2 3.52Å; Y1212-I1216 VanDerWaalsContact O-CD1 3.31Å; Y1212-I1216 WeakPolarHBondContact O-CD1 3.3Å; Y1212-I1216 WeakPolarHBondContact O-CG1 3.34Å; Y1212-I1216 PolarHBondContact O-N 3.09Å; V1213-I1216 PolarHBondContact O-N 3.09Å; A1214-I1216 PolarHBondContact O-N 3Å; I1216-I1218 VanDerWaalsContact C-N 3.29Å; I1216-I1218 PolarHBondContact O-N 2.82Å; I1216-H1219 CarbonylContact O-C 3.57Å; I1216-H1219 PolarHBondContact O-N 2.55Å; I1216-H1219 VanDerWaalsContact O-N 3.13Å; I1216-C1220 VanDerWaalsContact CG2-SG 3.59Å; I1216-C1220 WeakPolarHBondContact O-CB 3.38Å; I1216-C1220 PolarHBondContact O-N 3.19Å; I1216-C1220 PolarHBondContact O-SG 3.43Å |
| 1217 | I | 62.5 | Low | 59.9 | Low | 9 Ų | 9 | 42.5 Ų | 42.5 | 5% | 0.046 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | -177.4 | -78.3 | 171.2 | 0 | 0 | 0 | 111.1 | I1193 V1213 A1214 D1215 L1221 C1235 L1238 | I1193-I1217 HydrophobicContact CG2-CD1 4.37Å; V1213-I1217 HydrophobicContact CG1-CD1 3.68Å; V1213-I1217 HydrophobicContact CG1-CG1 4.47Å; V1213-I1217 WeakPolarHBondContact O-CB 3.39Å; V1213-I1217 WeakPolarHBondContact O-CG1 3.37Å; V1213-I1217 PolarHBondContact O-N 2.77Å; A1214-I1217 PolarHBondContact O-N 2.7Å; D1215-I1217 VanDerWaalsContact C-N 3.35Å; D1215-I1217 PolarHBondContact O-N 2.99Å; I1217-L1221 HydrophobicContact CG2-CD1 3.34Å; I1217-L1221 HydrophobicContact CG2-CG 4.11Å; I1217-L1221 WeakPolarHBondContact O-CB 3.4Å; I1217-L1221 WeakPolarHBondContact O-CD1 3.21Å; I1217-L1221 WeakPolarHBondContact O-CG 3.44Å; I1217-L1221 PolarHBondContact O-N 2.91Å; I1217-C1235 HydrophobicContact CD1-CB 4.19Å; I1217-L1238 HydrophobicContact CD1-CD1 3.28Å; I1217-L1238 HydrophobicContact CD1-CG 4.22Å |
| 1218 | I | 59.4 | Low | 59.9 | Low | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.195 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.1 | -39.3 | 175.5 | -67.9 | 159.3 | 0 | 0 | 0 | 111.3 | A1214 D1215 I1216 I1253 F1255 Y1265 | A1214-I1218 WeakPolarHBondContact O-CD1 3.36Å; A1214-I1218 VanDerWaalsContact O-CG1 3.32Å; A1214-I1218 WeakPolarHBondContact O-CG1 3.19Å; A1214-I1218 PolarHBondContact O-N 3.12Å; D1215-I1218 PolarHBondContact O-N 3.43Å; I1216-I1218 VanDerWaalsContact C-N 3.29Å; I1216-I1218 PolarHBondContact O-N 2.82Å; I1218-I1253 HydrophobicContact CD1-CG2 4.43Å; I1218-F1255 HydrophobicContact CD1-CE2 3.91Å; I1218-F1255 HydrophobicContact CD1-CZ 4.44Å; I1218-Y1265 HydrophobicContact CD1-CD1 3.66Å; I1218-Y1265 HydrophobicContact CD1-CD2 3.27Å; I1218-Y1265 HydrophobicContact CD1-CE1 3.8Å; I1218-Y1265 HydrophobicContact CD1-CE2 3.39Å; I1218-Y1265 HydrophobicContact CD1-CG 3.38Å; I1218-Y1265 HydrophobicContact CG1-CG 4.48Å; I1218-Y1265 HydrophobicContact CG2-CD1 4.22Å; I1218-Y1265 HydrophobicContact CG2-CE1 4.43Å |
| 1219 | H | 58.8 | Low | 60 | Low | 53 Ų | 53 | 48.4 Ų | 48.4 | 25% | 0.245 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -76.6 | -28.8 | -178.9 | -70.6 | 62.6 | 0 | 0 | 0 | 112.7 | S1153 N1157 D1215 I1216 | S1153-H1219 PolarHBondContact O-CD2 2.85Å; N1157-H1219 PolarHBondContact ND2-CD2 3.39Å; D1215-H1219 WeakPolarHBondContact O-CB 3.26Å; D1215-H1219 PolarHBondContact O-N 2.85Å; D1215-H1219 PolarHBondContact O-ND1 2.87Å; I1216-H1219 CarbonylContact O-C 3.57Å; I1216-H1219 PolarHBondContact O-N 2.55Å; I1216-H1219 VanDerWaalsContact O-N 3.13Å |
| 1220 | C | 58.3 | Low | 59.9 | Low | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -93.2 | -23 | 179.2 | -58 | 0 | 0 | 0 | 0 | 113.5 | Y1186 I1216 S1222 | Y1186-C1220 HydrophobicContact CD2-CB 3.66Å; Y1186-C1220 HydrophobicContact CE2-CB 4Å; I1216-C1220 VanDerWaalsContact CG2-SG 3.59Å; I1216-C1220 WeakPolarHBondContact O-CB 3.38Å; I1216-C1220 PolarHBondContact O-N 3.19Å; I1216-C1220 PolarHBondContact O-SG 3.43Å; C1220-S1222 PolarHBondContact O-N 2.7Å |
| 1221 | L | 55.4 | Low | 59.9 | Low | 9 Ų | 9 | 50.2 Ų | 50.2 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -74.8 | 111 | 171.2 | -79.3 | 166 | 0 | 0 | 0 | 109.2 | Y1186 I1217 V1223 L1226 F1234 | Y1186-L1221 HydrophobicContact CE1-CD2 4.25Å; Y1186-L1221 HydrophobicContact CE2-CD2 4.04Å; Y1186-L1221 HydrophobicContact CE2-CG 3.97Å; Y1186-L1221 VanDerWaalsContact OH-CD2 3.27Å; Y1186-L1221 WeakPolarHBondContact OH-CD2 3.42Å; I1217-L1221 HydrophobicContact CG2-CD1 3.34Å; I1217-L1221 HydrophobicContact CG2-CG 4.11Å; I1217-L1221 WeakPolarHBondContact O-CB 3.4Å; I1217-L1221 WeakPolarHBondContact O-CD1 3.21Å; I1217-L1221 WeakPolarHBondContact O-CG 3.44Å; I1217-L1221 PolarHBondContact O-N 2.91Å; L1221-V1223 PolarHBondContact O-N 3.49Å; L1221-L1226 HydrophobicContact CB-CD1 3.86Å; L1221-L1226 HydrophobicContact CB-CG 4.05Å; L1221-L1226 HydrophobicContact CD1-CD1 4.37Å; L1221-L1226 HydrophobicContact CD1-CD2 3.92Å; L1221-L1226 HydrophobicContact CD1-CG 4.28Å; L1221-F1234 HydrophobicContact CD2-CB 4.28Å; L1221-F1234 HydrophobicContact CD2-CD1 3.83Å; L1221-F1234 HydrophobicContact CD2-CD2 3.91Å; L1221-F1234 HydrophobicContact CD2-CE1 4.08Å; L1221-F1234 HydrophobicContact CD2-CE2 4.07Å; L1221-F1234 HydrophobicContact CD2-CG 3.77Å; L1221-F1234 HydrophobicContact CD2-CZ 4.21Å |
| 1222 | S | 51.9 | Low | 60 | Low | 23 Ų | 23 | 50.6 Ų | 50.6 | 16% | 0.161 | 24% | 0.242 | C | C | . | . | trans | -52.8 | 134.5 | 167.6 | -173 | 0 | 0 | 0 | 0 | 110 | E1183 C1220 Q1224 L1225 L1226 | E1183-S1222 VanDerWaalsContact OE1-CB 3.26Å; E1183-S1222 WeakPolarHBondContact OE1-CB 3.45Å; E1183-S1222 PolarHBondContact OE1-OG 3.31Å; E1183-S1222 VanDerWaalsContact OE1-OG 3.08Å; C1220-S1222 PolarHBondContact O-N 2.7Å; S1222-Q1224 PolarHBondContact O-N 2.87Å; S1222-Q1224 PolarHBondContact OG-N 3.35Å; S1222-L1225 WeakPolarHBondContact O-CB 3.29Å; S1222-L1225 PolarHBondContact O-N 2.9Å; S1222-L1226 PolarHBondContact O-N 3.33Å | ||
| 1223 | V | 54.6 | Low | 59.8 | Low | 73 Ų | 73 | 52.1 Ų | 52.1 | 44% | 0.442 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -52.9 | -28.3 | 170.2 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | L1221 K1227 | L1221-V1223 PolarHBondContact O-N 3.49Å; V1223-K1227 WeakPolarHBondContact O-CG 3.38Å; V1223-K1227 PolarHBondContact O-N 3.24Å |
| 1224 | Q | 55.5 | Low | 59.4 | Low | 126 Ų | 126 | 52.7 Ų | 52.7 | 59% | 0.589 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -68.8 | -46.1 | 174.8 | -60.7 | -126.9 | 2 | 0 | 0 | 113 | S1222 L1226 K1227 Y1228 | S1222-Q1224 PolarHBondContact O-N 2.87Å; S1222-Q1224 PolarHBondContact OG-N 3.35Å; Q1224-L1226 VanDerWaalsContact C-N 3.29Å; Q1224-L1226 PolarHBondContact O-N 2.59Å; Q1224-K1227 WeakPolarHBondContact O-CB 3.25Å; Q1224-K1227 PolarHBondContact O-N 3.28Å; Q1224-K1227 VanDerWaalsContact O-N 3.15Å; Q1224-Y1228 VanDerWaalsContact O-CD2 3.29Å; Q1224-Y1228 WeakPolarHBondContact O-CD2 3.41Å |
| 1225 | L | 56 | Low | 59.5 | Low | 65 Ų | 65 | 52.7 Ų | 52.7 | 34% | 0.34 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 178.7 | -82 | 163 | 0 | 0 | 0 | 111.5 | S1222 K1227 Y1228 K1229 F1234 | S1222-L1225 WeakPolarHBondContact O-CB 3.29Å; S1222-L1225 PolarHBondContact O-N 2.9Å; L1225-K1227 VanDerWaalsContact C-N 3.29Å; L1225-K1227 PolarHBondContact O-N 2.92Å; L1225-Y1228 PolarHBondContact O-N 2.87Å; L1225-K1229 PolarHBondContact O-N 2.83Å; L1225-F1234 HydrophobicContact CB-CE1 4.48Å; L1225-F1234 HydrophobicContact CB-CE2 4.31Å; L1225-F1234 HydrophobicContact CB-CZ 3.73Å; L1225-F1234 HydrophobicContact CD2-CE1 4.22Å; L1225-F1234 HydrophobicContact CD2-CZ 3.86Å; L1225-F1234 HydrophobicContact CG-CZ 4.31Å |
| 1226 | L | 55.1 | Low | 59.5 | Low | 15 Ų | 15 | 54 Ų | 54 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.8 | -20.6 | 177.4 | -77.8 | 167.7 | 0 | 0 | 0 | 114.3 | L1221 S1222 Q1224 Y1228 V1231 R1251 L1267 | L1221-L1226 HydrophobicContact CB-CD1 3.86Å; L1221-L1226 HydrophobicContact CB-CG 4.05Å; L1221-L1226 HydrophobicContact CD1-CD1 4.37Å; L1221-L1226 HydrophobicContact CD1-CD2 3.92Å; L1221-L1226 HydrophobicContact CD1-CG 4.28Å; S1222-L1226 PolarHBondContact O-N 3.33Å; Q1224-L1226 VanDerWaalsContact C-N 3.29Å; Q1224-L1226 PolarHBondContact O-N 2.59Å; L1226-Y1228 VanDerWaalsContact C-N 3.34Å; L1226-V1231 HydrophobicContact CD2-CG2 3.78Å; L1226-R1251 PolarHBondContact O-NH1 3Å; L1226-L1267 HydrophobicContact CD1-CB 4.35Å; L1226-L1267 HydrophobicContact CD1-CD2 4.04Å; L1226-L1267 HydrophobicContact CD2-CD1 4.19Å |
| 1227 | K | 57.4 | Low | 59.6 | Low | 135 Ų | 135 | 54.5 Ų | 54.5 | 59% | 0.587 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.5 | -40.3 | 174.2 | -74.8 | 177.4 | -179.3 | -178.1 | 0 | 111.2 | V1223 Q1224 L1225 R1251 | V1223-K1227 WeakPolarHBondContact O-CG 3.38Å; V1223-K1227 PolarHBondContact O-N 3.24Å; Q1224-K1227 WeakPolarHBondContact O-CB 3.25Å; Q1224-K1227 PolarHBondContact O-N 3.28Å; Q1224-K1227 VanDerWaalsContact O-N 3.15Å; L1225-K1227 VanDerWaalsContact C-N 3.29Å; L1225-K1227 PolarHBondContact O-N 2.92Å; K1227-R1251 PolarHBondContact O-NH2 3.47Å |
| 1228 | Y | 57.6 | Low | 59.9 | Low | 192 Ų | 192 | 54.2 Ų | 54.2 | 75% | 0.753 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -95.5 | -26.4 | -171.3 | -60.2 | -73.5 | 0 | 0 | 0 | 114.3 | Q1224 L1225 L1226 | Q1224-Y1228 VanDerWaalsContact O-CD2 3.29Å; Q1224-Y1228 WeakPolarHBondContact O-CD2 3.41Å; L1225-Y1228 PolarHBondContact O-N 2.87Å; L1226-Y1228 VanDerWaalsContact C-N 3.34Å |
| 1229 | K | 60.1 | Low | 60.4 | Low | 109 Ų | 109 | 55.2 Ų | 55.2 | 47% | 0.474 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -129.3 | 145.5 | -174.7 | -75.7 | -178.1 | -177.4 | -177.3 | 0 | 111.8 | L1225 F1234 | L1225-K1229 PolarHBondContact O-N 2.83Å; K1229-F1234 HydrophobicContact CB-CD2 3.82Å; K1229-F1234 HydrophobicContact CB-CE2 3.19Å; K1229-F1234 HydrophobicContact CB-CZ 3.72Å; K1229-F1234 HydrophobicContact CD-CE1 4.31Å; K1229-F1234 HydrophobicContact CD-CE2 4.1Å; K1229-F1234 HydrophobicContact CD-CZ 3.77Å; K1229-F1234 HydrophobicContact CG-CE2 4.25Å; K1229-F1234 HydrophobicContact CG-CZ 4.33Å |
| 1230 | N | 63.6 | Low | 61 | Low | 45 Ų | 45 | 59.8 Ų | 59.8 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | trans | -80.9 | 151.5 | 179 | -78.1 | -18.1 | 0 | 0 | 0 | 111 | S1232 E1233 F1234 F1246 R1251 | N1230-S1232 PolarHBondContact O-N 3.18Å; N1230-S1232 VanDerWaalsContact O-N 3.15Å; N1230-E1233 WeakPolarHBondContact O-CB 3.41Å; N1230-E1233 PolarHBondContact O-N 3.07Å; N1230-F1234 PolarHBondContact O-N 2.84Å; N1230-F1246 HydrophobicContact CB-CE1 4.04Å; N1230-F1246 HydrophobicContact CB-CZ 4.33Å; N1230-R1251 PolarHBondContact OD1-NH1 3.34Å | ||
| 1231 | V | 63.7 | Low | 61.9 | Low | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.8 | -31.7 | 177.8 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | L1226 E1233 F1234 C1235 F1246 I1253 L1267 | L1226-V1231 HydrophobicContact CD2-CG2 3.78Å; V1231-E1233 VanDerWaalsContact C-N 3.28Å; V1231-E1233 PolarHBondContact O-N 3.3Å; V1231-F1234 PolarHBondContact O-N 3.44Å; V1231-C1235 PolarHBondContact O-N 2.65Å; V1231-F1246 HydrophobicContact CB-CD2 3.94Å; V1231-F1246 HydrophobicContact CB-CE2 3.96Å; V1231-F1246 HydrophobicContact CB-CG 4.24Å; V1231-F1246 HydrophobicContact CB-CZ 4.27Å; V1231-F1246 HydrophobicContact CG2-CD2 3.86Å; V1231-F1246 HydrophobicContact CG2-CE2 3.58Å; V1231-F1246 HydrophobicContact CG2-CZ 4.15Å; V1231-I1253 HydrophobicContact CG1-CD1 4.02Å; V1231-L1267 HydrophobicContact CG2-CD1 3.82Å |
| 1232 | S | 64.6 | Low | 63.1 | Low | 44 Ų | 44 | 61 Ų | 61 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -32.5 | 174.8 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | N1230 P1236 L1239 | N1230-S1232 PolarHBondContact O-N 3.18Å; N1230-S1232 VanDerWaalsContact O-N 3.15Å; S1232-P1236 WeakPolarHBondContact O-CA 3.38Å; S1232-P1236 WeakPolarHBondContact O-CB 3.47Å; S1232-L1239 VanDerWaalsContact CB-CD1 3.41Å |
| 1233 | E | 65 | Low | 64.5 | Low | 115 Ų | 115 | 61.8 Ų | 61.8 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -79.7 | -33.1 | 176.4 | -65.5 | 172.6 | 175.8 | 0 | 0 | 111.1 | N1230 V1231 | N1230-E1233 WeakPolarHBondContact O-CB 3.41Å; N1230-E1233 PolarHBondContact O-N 3.07Å; V1231-E1233 VanDerWaalsContact C-N 3.28Å; V1231-E1233 PolarHBondContact O-N 3.3Å |
| 1234 | F | 57.1 | Low | 65.8 | Low | 14 Ų | 14 | 58.8 Ų | 58.8 | 6% | 0.061 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -77.8 | -37.6 | -179.6 | -83.7 | -69.9 | 0 | 0 | 0 | 114.3 | Y1186 R1190 L1221 L1225 K1229 N1230 V1231 | Y1186-F1234 AromaticContact CE1-CD1 3.94Å; Y1186-F1234 HydrophobicContact CE1-CD1 3.94Å; Y1186-F1234 HydrophobicContact CE1-CE1 4.34Å; R1190-F1234 WeakPolarHBondContact CD-O 3.5Å; R1190-F1234 PolarHBondContact NE-O 3.21Å; R1190-F1234 PolarHBondContact NH1-O 3.39Å; R1190-F1234 PolarHBondContact NH2-O 3.41Å; R1190-F1234 VanDerWaalsContact NH2-O 3.15Å; L1221-F1234 HydrophobicContact CD2-CB 4.28Å; L1221-F1234 HydrophobicContact CD2-CD1 3.83Å; L1221-F1234 HydrophobicContact CD2-CD2 3.91Å; L1221-F1234 HydrophobicContact CD2-CE1 4.08Å; L1221-F1234 HydrophobicContact CD2-CE2 4.07Å; L1221-F1234 HydrophobicContact CD2-CG 3.77Å; L1221-F1234 HydrophobicContact CD2-CZ 4.21Å; L1225-F1234 HydrophobicContact CB-CE1 4.48Å; L1225-F1234 HydrophobicContact CB-CE2 4.31Å; L1225-F1234 HydrophobicContact CB-CZ 3.73Å; L1225-F1234 HydrophobicContact CD2-CE1 4.22Å; L1225-F1234 HydrophobicContact CD2-CZ 3.86Å; L1225-F1234 HydrophobicContact CG-CZ 4.31Å; K1229-F1234 HydrophobicContact CB-CD2 3.82Å; K1229-F1234 HydrophobicContact CB-CE2 3.19Å; K1229-F1234 HydrophobicContact CB-CZ 3.72Å; K1229-F1234 HydrophobicContact CD-CE1 4.31Å; K1229-F1234 HydrophobicContact CD-CE2 4.1Å; K1229-F1234 HydrophobicContact CD-CZ 3.77Å; K1229-F1234 HydrophobicContact CG-CE2 4.25Å; K1229-F1234 HydrophobicContact CG-CZ 4.33Å; N1230-F1234 PolarHBondContact O-N 2.84Å; V1231-F1234 PolarHBondContact O-N 3.44Å |
| 1235 | C | 64 | Low | 67.2 | Low | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | trans | -150 | 73.6 | -179.5 | -165.5 | 0 | 0 | 0 | 0 | 110.7 | I1217 V1231 T1237 L1238 | I1217-C1235 HydrophobicContact CD1-CB 4.19Å; V1231-C1235 PolarHBondContact O-N 2.65Å; C1235-T1237 PolarHBondContact O-N 3.05Å; C1235-T1237 VanDerWaalsContact O-N 3.13Å; C1235-T1237 PolarHBondContact SG-OG1 3.17Å; C1235-T1237 VanDerWaalsContact SG-OG1 3.37Å; C1235-L1238 HydrophobicContact CB-CD1 4.23Å; C1235-L1238 PolarHBondContact O-N 3.33Å; C1235-L1238 VanDerWaalsContact O-N 3.16Å | ||
| 1236 | P | 65.4 | Low | 68.6 | Low | 62 Ų | 62 | 51.9 Ų | 51.9 | 40% | 0.403 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23 | -175.9 | 22.9 | -32.7 | 0 | 0 | 0 | 113.2 | S1232 L1238 L1239 | S1232-P1236 WeakPolarHBondContact O-CA 3.38Å; S1232-P1236 WeakPolarHBondContact O-CB 3.47Å; P1236-L1238 VanDerWaalsContact C-N 3.34Å; P1236-L1238 PolarHBondContact O-N 3.16Å; P1236-L1239 PolarHBondContact O-N 3.49Å |
| 1237 | T | 66.4 | Low | 70 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -32.2 | 177.3 | 41 | 0 | 0 | 0 | 0 | 113.3 | R1198 C1235 L1239 K1240 F1241 | R1198-T1237 VanDerWaalsContact NH2-CG2 3.3Å; C1235-T1237 PolarHBondContact O-N 3.05Å; C1235-T1237 VanDerWaalsContact O-N 3.13Å; C1235-T1237 PolarHBondContact SG-OG1 3.17Å; C1235-T1237 VanDerWaalsContact SG-OG1 3.37Å; T1237-L1239 VanDerWaalsContact C-N 3.33Å; T1237-L1239 PolarHBondContact O-N 3.06Å; T1237-K1240 WeakPolarHBondContact O-CB 3.35Å; T1237-K1240 PolarHBondContact O-N 2.89Å; T1237-F1241 WeakPolarHBondContact O-CE2 3.38Å |
| 1238 | L | 68.5 | Low | 70.9 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -64.6 | -36 | 176.9 | -99.4 | 173.7 | 0 | 0 | 0 | 112.6 | L1210 V1213 I1217 C1235 P1236 K1240 F1241 I1244 | L1210-L1238 HydrophobicContact CD2-CD2 4.4Å; V1213-L1238 HydrophobicContact CG1-CD1 4.35Å; V1213-L1238 HydrophobicContact CG1-CD2 4.04Å; V1213-L1238 HydrophobicContact CG1-CG 4.28Å; I1217-L1238 HydrophobicContact CD1-CD1 3.28Å; I1217-L1238 HydrophobicContact CD1-CG 4.22Å; C1235-L1238 HydrophobicContact CB-CD1 4.23Å; C1235-L1238 PolarHBondContact O-N 3.33Å; C1235-L1238 VanDerWaalsContact O-N 3.16Å; P1236-L1238 VanDerWaalsContact C-N 3.34Å; P1236-L1238 PolarHBondContact O-N 3.16Å; L1238-K1240 PolarHBondContact O-N 2.94Å; L1238-F1241 WeakPolarHBondContact O-CD2 3.04Å; L1238-F1241 PolarHBondContact O-N 3.11Å; L1238-I1244 HydrophobicContact CD2-CD1 3.51Å |
| 1239 | L | 70 | Confident | 71.8 | Confident | 60 Ų | 60 | 43 Ų | 43 | 31% | 0.314 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -77.8 | -2.4 | -177.3 | -60.8 | 177.7 | 0 | 0 | 0 | 113.3 | S1232 P1236 T1237 F1241 F1246 | S1232-L1239 VanDerWaalsContact CB-CD1 3.41Å; P1236-L1239 PolarHBondContact O-N 3.49Å; T1237-L1239 VanDerWaalsContact C-N 3.33Å; T1237-L1239 PolarHBondContact O-N 3.06Å; L1239-F1241 PolarHBondContact O-N 3.27Å; L1239-F1246 HydrophobicContact CD2-CB 3.68Å |
| 1240 | K | 72 | Confident | 72.7 | Confident | 148 Ų | 148 | 38.5 Ų | 38.5 | 64% | 0.643 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -78 | -5.7 | 171.4 | -59.7 | -173.5 | 179.4 | -172.4 | 0 | 112.8 | T1237 L1238 R1341 | T1237-K1240 WeakPolarHBondContact O-CB 3.35Å; T1237-K1240 PolarHBondContact O-N 2.89Å; L1238-K1240 PolarHBondContact O-N 2.94Å; K1240-R1341 PolarHBondContact O-NH1 3.12Å; K1240-R1341 VanDerWaalsContact O-NH1 3.17Å |
| 1241 | F | 75.7 | Confident | 73.4 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -98.6 | 123.2 | -179.5 | -64.2 | -78 | 0 | 0 | 0 | 110.5 | V1197 L1210 T1237 L1238 L1239 M1243 I1244 | V1197-F1241 HydrophobicContact CG1-CE2 3.53Å; V1197-F1241 HydrophobicContact CG1-CZ 3.57Å; L1210-F1241 HydrophobicContact CD1-CB 4.22Å; L1210-F1241 HydrophobicContact CD1-CD1 3.4Å; L1210-F1241 HydrophobicContact CD1-CD2 4.11Å; L1210-F1241 HydrophobicContact CD1-CE1 3.7Å; L1210-F1241 HydrophobicContact CD1-CE2 4.39Å; L1210-F1241 HydrophobicContact CD1-CG 3.63Å; L1210-F1241 HydrophobicContact CD1-CZ 4.19Å; L1210-F1241 HydrophobicContact CD2-CD1 4.25Å; L1210-F1241 HydrophobicContact CD2-CD2 3.57Å; L1210-F1241 HydrophobicContact CD2-CE1 4.11Å; L1210-F1241 HydrophobicContact CD2-CE2 3.43Å; L1210-F1241 VanDerWaalsContact CD2-CE2 3.43Å; L1210-F1241 HydrophobicContact CD2-CG 4Å; L1210-F1241 HydrophobicContact CD2-CZ 3.72Å; L1210-F1241 HydrophobicContact CG-CD1 4.46Å; L1210-F1241 HydrophobicContact CG-CE1 4.47Å; L1210-F1241 HydrophobicContact CG-CG 4.48Å; T1237-F1241 WeakPolarHBondContact O-CE2 3.38Å; L1238-F1241 WeakPolarHBondContact O-CD2 3.04Å; L1238-F1241 PolarHBondContact O-N 3.11Å; L1239-F1241 PolarHBondContact O-N 3.27Å; F1241-M1243 VanDerWaalsContact C-N 3.25Å; F1241-M1243 HydrophobicContact CB-SD 4.1Å; F1241-M1243 PolarHBondContact O-N 3.32Å; F1241-I1244 HydrophobicContact CB-CD1 4.03Å; F1241-I1244 HydrophobicContact CB-CG1 4.09Å; F1241-I1244 PolarHBondContact O-N 3.24Å |
| 1242 | P | 80.7 | Confident | 74.3 | Confident | 25 Ų | 25 | 39.3 Ų | 39.3 | 16% | 0.162 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.6 | -172.4 | 28.4 | -37.5 | 0 | 0 | 0 | 113.3 | I1244 S1283 A1284 C1285 R1341 S1342 | P1242-I1244 PolarHBondContact O-N 3.4Å; P1242-S1283 WeakPolarHBondContact CG-O 3.42Å; P1242-A1284 HydrophobicContact CB-CB 4.01Å; P1242-A1284 CarbonylContact O-C 3.53Å; P1242-A1284 VanDerWaalsContact O-CA 3.28Å; P1242-A1284 WeakPolarHBondContact O-CA 3.34Å; P1242-C1285 PolarHBondContact O-N 2.75Å; P1242-C1285 VanDerWaalsContact O-O 3.07Å; P1242-R1341 HydrophobicContact CG-CB 4.21Å; P1242-S1342 WeakPolarHBondContact CB-O 3.24Å |
| 1243 | M | 81.5 | Confident | 75.1 | Confident | 38 Ų | 38 | 37.4 Ų | 37.4 | 19% | 0.187 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 6.1 | 176 | 66.8 | -96 | -84.2 | 0 | 0 | 113.8 | L1210 F1241 G1256 C1285 | L1210-M1243 HydrophobicContact CD1-SD 4.28Å; F1241-M1243 VanDerWaalsContact C-N 3.25Å; F1241-M1243 HydrophobicContact CB-SD 4.1Å; F1241-M1243 PolarHBondContact O-N 3.32Å; M1243-G1256 PolarHBondContact O-N 3.06Å; M1243-C1285 PolarHBondContact O-SG 3.3Å |
| 1244 | I | 82 | Confident | 76 | Confident | 10 Ų | 10 | 31.9 Ų | 31.9 | 5% | 0.051 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.7 | 179.2 | -52.8 | -175.4 | 0 | 0 | 0 | 108.1 | L1210 L1238 F1241 P1242 I1253 A1254 F1255 | L1210-I1244 HydrophobicContact CB-CD1 4.4Å; L1238-I1244 HydrophobicContact CD2-CD1 3.51Å; F1241-I1244 HydrophobicContact CB-CD1 4.03Å; F1241-I1244 HydrophobicContact CB-CG1 4.09Å; F1241-I1244 PolarHBondContact O-N 3.24Å; P1242-I1244 PolarHBondContact O-N 3.4Å; I1244-I1253 HydrophobicContact CG2-CD1 4.3Å; I1244-I1253 HydrophobicContact CG2-CG1 4.34Å; I1244-A1254 WeakPolarHBondContact CA-O 3.46Å; I1244-F1255 HydrophobicContact CB-CD1 4.36Å; I1244-F1255 HydrophobicContact CD1-CD1 3.91Å; I1244-F1255 HydrophobicContact CD1-CE1 4.03Å; I1244-F1255 HydrophobicContact CG1-CD1 3.87Å; I1244-F1255 HydrophobicContact CG1-CE1 4.28Å; I1244-F1255 HydrophobicContact CG2-CD1 3.81Å; I1244-F1255 HydrophobicContact CG2-CE1 3.55Å; I1244-F1255 HydrophobicContact CG2-CZ 4.46Å |
| 1245 | S | 85.8 | Confident | 77.1 | Confident | 12 Ų | 12 | 31.4 Ų | 31.4 | 8% | 0.084 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 139.4 | 177 | -170.5 | 0 | 0 | 0 | 0 | 111.7 | I1253 A1254 C1286 F1287 | S1245-I1253 CarbonylContact O-C 3.57Å; S1245-I1253 WeakPolarHBondContact O-CA 3.35Å; S1245-A1254 PolarHBondContact N-O 3.16Å; S1245-A1254 VanDerWaalsContact N-O 3.07Å; S1245-A1254 PolarHBondContact O-N 2.76Å; S1245-C1286 WeakPolarHBondContact OG-CA 3.46Å; S1245-F1287 WeakPolarHBondContact O-CE2 3.11Å; S1245-F1287 PolarHBondContact OG-N 3.11Å |
| 1246 | F | 84.2 | Confident | 78 | Confident | 34 Ų | 34 | 31.7 Ų | 31.7 | 15% | 0.149 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.5 | 176.8 | 173.2 | -109.7 | 0 | 0 | 0 | 110 | N1230 V1231 L1239 A1248 R1252 I1253 L1267 | N1230-F1246 HydrophobicContact CB-CE1 4.04Å; N1230-F1246 HydrophobicContact CB-CZ 4.33Å; V1231-F1246 HydrophobicContact CB-CD2 3.94Å; V1231-F1246 HydrophobicContact CB-CE2 3.96Å; V1231-F1246 HydrophobicContact CB-CG 4.24Å; V1231-F1246 HydrophobicContact CB-CZ 4.27Å; V1231-F1246 HydrophobicContact CG2-CD2 3.86Å; V1231-F1246 HydrophobicContact CG2-CE2 3.58Å; V1231-F1246 HydrophobicContact CG2-CZ 4.15Å; L1239-F1246 HydrophobicContact CD2-CB 3.68Å; F1246-A1248 HydrophobicContact CE1-CB 3.78Å; F1246-A1248 HydrophobicContact CZ-CB 4.28Å; F1246-R1252 VanDerWaalsContact CD2-O 3.31Å; F1246-R1252 WeakPolarHBondContact CD2-O 3.32Å; F1246-I1253 HydrophobicContact CD2-CB 4.31Å; F1246-L1267 HydrophobicContact CD2-CD1 4.47Å; F1246-L1267 HydrophobicContact CE2-CD1 3.76Å |
| 1247 | S | 85.4 | Confident | 78.4 | Confident | 5 Ų | 5 | 29.2 Ų | 29.2 | 4% | 0.035 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 112.7 | 169 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | N1249 A1250 R1251 R1252 G1291 | S1247-N1249 VanDerWaalsContact C-N 3.33Å; S1247-A1250 PolarHBondContact OG-N 3.46Å; S1247-R1251 VanDerWaalsContact O-CA 3.3Å; S1247-R1251 WeakPolarHBondContact O-CA 3.37Å; S1247-R1251 PolarHBondContact O-N 3.06Å; S1247-R1252 PolarHBondContact N-O 3.13Å; S1247-R1252 PolarHBondContact O-N 3.28Å; S1247-R1252 VanDerWaalsContact O-N 3.16Å; S1247-G1291 WeakPolarHBondContact OG-CA 3.37Å |
| 1248 | A | 75.6 | Confident | 78.8 | Confident | 36 Ų | 36 | 33.7 Ų | 33.7 | 30% | 0.298 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -39.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1246 R1251 | F1246-A1248 HydrophobicContact CE1-CB 3.78Å; F1246-A1248 HydrophobicContact CZ-CB 4.28Å; A1248-R1251 VanDerWaalsContact O-CD 3.23Å; A1248-R1251 WeakPolarHBondContact O-CD 3.22Å; A1248-R1251 WeakPolarHBondContact O-CG 3.39Å; A1248-R1251 PolarHBondContact O-N 3.14Å; A1248-R1251 PolarHBondContact O-NE 3.18Å |
| 1249 | N | 77.7 | Confident | 79.2 | Confident | 116 Ų | 116 | 36.6 Ų | 36.6 | 62% | 0.62 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -49.6 | -177.7 | -72.8 | -19 | 0 | 0 | 0 | 112.1 | S1247 R1251 D1289 | S1247-N1249 VanDerWaalsContact C-N 3.33Å; N1249-R1251 VanDerWaalsContact C-N 3.25Å; N1249-R1251 PolarHBondContact O-N 3.21Å; N1249-D1289 PolarHBondContact ND2-O 3.4Å |
| 1250 | A | 77.9 | Confident | 79.9 | Confident | 14 Ų | 14 | 33.8 Ų | 33.8 | 12% | 0.116 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -8.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1247 R1252 | S1247-A1250 PolarHBondContact OG-N 3.46Å; A1250-R1252 HydrophobicContact CB-CB 4.29Å; A1250-R1252 HydrophobicContact CB-CG 4.13Å; A1250-R1252 PolarHBondContact O-N 3.32Å |
| 1251 | R | 79.4 | Confident | 80.6 | Confident | 58 Ų | 58 | 27.9 Ų | 27.9 | 22% | 0.219 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 48 | -171.6 | -62.1 | -69.9 | -171.8 | 146.4 | 6.4 | 111.1 | L1226 K1227 N1230 S1247 A1248 N1249 L1267 R1268 | L1226-R1251 PolarHBondContact O-NH1 3Å; K1227-R1251 PolarHBondContact O-NH2 3.47Å; N1230-R1251 PolarHBondContact OD1-NH1 3.34Å; S1247-R1251 VanDerWaalsContact O-CA 3.3Å; S1247-R1251 WeakPolarHBondContact O-CA 3.37Å; S1247-R1251 PolarHBondContact O-N 3.06Å; A1248-R1251 VanDerWaalsContact O-CD 3.23Å; A1248-R1251 WeakPolarHBondContact O-CD 3.22Å; A1248-R1251 WeakPolarHBondContact O-CG 3.39Å; A1248-R1251 PolarHBondContact O-N 3.14Å; A1248-R1251 PolarHBondContact O-NE 3.18Å; N1249-R1251 VanDerWaalsContact C-N 3.25Å; N1249-R1251 PolarHBondContact O-N 3.21Å; R1251-L1267 VanDerWaalsContact O-CB 3.28Å; R1251-L1267 WeakPolarHBondContact O-CB 3.01Å; R1251-L1267 WeakPolarHBondContact O-CG 3.44Å; R1251-L1267 PolarHBondContact O-N 3.17Å; R1251-R1268 HydrophobicContact CB-CG 4.35Å |
| 1252 | R | 81.9 | Confident | 81.2 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 2% | 0.023 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 148.6 | -178.2 | -73.8 | 172.8 | -177.7 | -177.9 | -11 | 110.8 | F1246 S1247 A1250 V1264 Y1265 F1287 M1309 | F1246-R1252 VanDerWaalsContact CD2-O 3.31Å; F1246-R1252 WeakPolarHBondContact CD2-O 3.32Å; S1247-R1252 PolarHBondContact N-O 3.13Å; S1247-R1252 PolarHBondContact O-N 3.28Å; S1247-R1252 VanDerWaalsContact O-N 3.16Å; A1250-R1252 HydrophobicContact CB-CB 4.29Å; A1250-R1252 HydrophobicContact CB-CG 4.13Å; A1250-R1252 PolarHBondContact O-N 3.32Å; R1252-V1264 HydrophobicContact CB-CG1 4.31Å; R1252-V1264 HydrophobicContact CG-CG1 4.44Å; R1252-Y1265 VanDerWaalsContact CA-O 3.25Å; R1252-Y1265 WeakPolarHBondContact CA-O 3.37Å; R1252-F1287 HydrophobicContact CB-CE2 4.39Å; R1252-F1287 HydrophobicContact CB-CZ 4.04Å; R1252-M1309 PolarHBondContact NH1-O 2.88Å |
| 1253 | I | 81.6 | Confident | 81.2 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.5 | 170.5 | -169.7 | 160.8 | 0 | 0 | 0 | 109.4 | I1218 V1231 I1244 S1245 F1246 F1255 V1264 Y1265 L1267 | I1218-I1253 HydrophobicContact CD1-CG2 4.43Å; V1231-I1253 HydrophobicContact CG1-CD1 4.02Å; I1244-I1253 HydrophobicContact CG2-CD1 4.3Å; I1244-I1253 HydrophobicContact CG2-CG1 4.34Å; S1245-I1253 CarbonylContact O-C 3.57Å; S1245-I1253 WeakPolarHBondContact O-CA 3.35Å; F1246-I1253 HydrophobicContact CD2-CB 4.31Å; I1253-F1255 HydrophobicContact CB-CE2 4.23Å; I1253-F1255 HydrophobicContact CB-CZ 4.32Å; I1253-F1255 HydrophobicContact CD1-CE1 3.99Å; I1253-F1255 HydrophobicContact CD1-CE2 4.16Å; I1253-F1255 HydrophobicContact CD1-CZ 3.4Å; I1253-F1255 HydrophobicContact CG1-CE1 4.09Å; I1253-F1255 HydrophobicContact CG1-CE2 3.76Å; I1253-F1255 HydrophobicContact CG1-CZ 3.46Å; I1253-F1255 VanDerWaalsContact CG1-CZ 3.46Å; I1253-F1255 HydrophobicContact CG2-CE2 3.6Å; I1253-F1255 HydrophobicContact CG2-CZ 3.96Å; I1253-V1264 CarbonylContact O-C 3.49Å; I1253-V1264 WeakPolarHBondContact O-CA 3.14Å; I1253-Y1265 HydrophobicContact CG2-CD2 4.4Å; I1253-Y1265 PolarHBondContact N-O 3.17Å; I1253-Y1265 VanDerWaalsContact N-O 3.09Å; I1253-Y1265 PolarHBondContact O-N 3.48Å; I1253-L1267 HydrophobicContact CG2-CD2 4.17Å |
| 1254 | A | 84.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I1244 S1245 I1262 I1263 V1264 F1287 L1294 | I1244-A1254 WeakPolarHBondContact CA-O 3.46Å; S1245-A1254 PolarHBondContact N-O 3.16Å; S1245-A1254 VanDerWaalsContact N-O 3.07Å; S1245-A1254 PolarHBondContact O-N 2.76Å; A1254-I1262 HydrophobicContact CB-CG2 4.36Å; A1254-I1263 CarbonylContact C-O 3.58Å; A1254-I1263 WeakPolarHBondContact CA-O 3.45Å; A1254-V1264 HydrophobicContact CB-CG2 4.05Å; A1254-F1287 HydrophobicContact CB-CD2 4.38Å; A1254-F1287 HydrophobicContact CB-CE2 3.42Å; A1254-F1287 VanDerWaalsContact CB-CE2 3.42Å; A1254-F1287 HydrophobicContact CB-CZ 3.64Å; A1254-L1294 HydrophobicContact CB-CD1 4.05Å; A1254-L1294 HydrophobicContact CB-CD2 3.92Å |
| 1255 | F | 80.2 | Confident | 81.1 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 119.8 | 178.3 | -58.6 | -80.6 | 0 | 0 | 0 | 110.7 | L1211 A1214 I1218 I1244 I1253 I1262 I1263 Y1265 | L1211-F1255 HydrophobicContact CD2-CB 3.87Å; A1214-F1255 HydrophobicContact CB-CD1 3.5Å; A1214-F1255 VanDerWaalsContact CB-CD1 3.5Å; A1214-F1255 HydrophobicContact CB-CD2 3.97Å; A1214-F1255 HydrophobicContact CB-CE1 3.14Å; A1214-F1255 HydrophobicContact CB-CE2 3.62Å; A1214-F1255 HydrophobicContact CB-CG 3.91Å; A1214-F1255 HydrophobicContact CB-CZ 3.2Å; I1218-F1255 HydrophobicContact CD1-CE2 3.91Å; I1218-F1255 HydrophobicContact CD1-CZ 4.44Å; I1244-F1255 HydrophobicContact CB-CD1 4.36Å; I1244-F1255 HydrophobicContact CD1-CD1 3.91Å; I1244-F1255 HydrophobicContact CD1-CE1 4.03Å; I1244-F1255 HydrophobicContact CG1-CD1 3.87Å; I1244-F1255 HydrophobicContact CG1-CE1 4.28Å; I1244-F1255 HydrophobicContact CG2-CD1 3.81Å; I1244-F1255 HydrophobicContact CG2-CE1 3.55Å; I1244-F1255 HydrophobicContact CG2-CZ 4.46Å; I1253-F1255 HydrophobicContact CB-CE2 4.23Å; I1253-F1255 HydrophobicContact CB-CZ 4.32Å; I1253-F1255 HydrophobicContact CD1-CE1 3.99Å; I1253-F1255 HydrophobicContact CD1-CE2 4.16Å; I1253-F1255 HydrophobicContact CD1-CZ 3.4Å; I1253-F1255 HydrophobicContact CG1-CE1 4.09Å; I1253-F1255 HydrophobicContact CG1-CE2 3.76Å; I1253-F1255 HydrophobicContact CG1-CZ 3.46Å; I1253-F1255 VanDerWaalsContact CG1-CZ 3.46Å; I1253-F1255 HydrophobicContact CG2-CE2 3.6Å; I1253-F1255 HydrophobicContact CG2-CZ 3.96Å; F1255-I1262 CarbonylContact O-C 3.54Å; F1255-I1262 VanDerWaalsContact O-CA 3.27Å; F1255-I1262 WeakPolarHBondContact O-CA 3.41Å; F1255-I1263 PolarHBondContact N-O 3.28Å; F1255-I1263 PolarHBondContact O-N 3.11Å; F1255-Y1265 AromaticContact CD2-CD2 3.75Å; F1255-Y1265 HydrophobicContact CD2-CD2 3.75Å; F1255-Y1265 AromaticContact CD2-CE2 3.82Å; F1255-Y1265 HydrophobicContact CD2-CE2 3.82Å; F1255-Y1265 AromaticContact CE2-CD2 3.63Å; F1255-Y1265 HydrophobicContact CE2-CD2 3.63Å; F1255-Y1265 AromaticContact CE2-CE2 3.91Å; F1255-Y1265 HydrophobicContact CE2-CE2 3.91Å |
| 1256 | G | 81.3 | Confident | 80.7 | Confident | 6 Ų | 6 | 28 Ų | 28 | 6% | 0.062 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 130.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1243 I1262 | M1243-G1256 PolarHBondContact O-N 3.06Å; G1256-I1262 VanDerWaalsContact CA-CD1 3.48Å |
| 1257 | T | 75.7 | Confident | 80 | Confident | 11 Ų | 11 | 27.1 Ų | 27.1 | 7% | 0.067 | 15% | 0.148 | C | C | . | . | trans | -101.1 | 166.7 | 178.3 | 83.9 | 0 | 0 | 0 | 0 | 112 | L1211 A1259 G1260 T1261 I1263 V1282 | L1211-T1257 HydrophobicContact CD1-CG2 3.74Å; L1211-T1257 HydrophobicContact CD2-CG2 3.82Å; L1211-T1257 HydrophobicContact CG-CG2 4.45Å; T1257-A1259 VanDerWaalsContact C-N 3.27Å; T1257-A1259 PolarHBondContact O-N 2.85Å; T1257-A1259 PolarHBondContact OG1-N 3.43Å; T1257-A1259 VanDerWaalsContact OG1-N 3.13Å; T1257-G1260 PolarHBondContact O-N 2.88Å; T1257-T1261 WeakPolarHBondContact CB-OG1 3.31Å; T1257-T1261 WeakPolarHBondContact CG2-O 3.28Å; T1257-T1261 WeakPolarHBondContact CG2-OG1 3.49Å; T1257-T1261 PolarHBondContact N-O 2.83Å; T1257-T1261 PolarHBondContact OG1-N 3.44Å; T1257-T1261 VanDerWaalsContact OG1-N 3.16Å; T1257-T1261 PolarHBondContact OG1-O 3.22Å; T1257-T1261 PolarHBondContact OG1-OG1 2.94Å; T1257-I1263 HydrophobicContact CG2-CD1 4.27Å; T1257-I1263 HydrophobicContact CG2-CG1 4.29Å; T1257-V1282 PolarHBondContact O-N 3.35Å | ||
| 1258 | R | 73.7 | Confident | 79.2 | Confident | 104 Ų | 104 | 35.1 Ų | 35.1 | 39% | 0.392 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -22.8 | 170.8 | -84.1 | -176 | 160.8 | -153.6 | -18.7 | 114.3 | N1204 G1260 S1281 | N1204-R1258 VanDerWaalsContact CA-NH2 3.35Å; N1204-R1258 PolarHBondContact O-NH1 3.34Å; N1204-R1258 PolarHBondContact O-NH2 2.81Å; N1204-R1258 PolarHBondContact OD1-NH2 3.48Å; R1258-G1260 PolarHBondContact O-N 2.85Å; R1258-S1281 WeakPolarHBondContact O-CA 3.36Å |
| 1259 | A | 77.2 | Confident | 78.8 | Confident | 63 Ų | 63 | 36 Ų | 36 | 52% | 0.521 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 5.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1257 T1261 Q1276 | T1257-A1259 VanDerWaalsContact C-N 3.27Å; T1257-A1259 PolarHBondContact O-N 2.85Å; T1257-A1259 PolarHBondContact OG1-N 3.43Å; T1257-A1259 VanDerWaalsContact OG1-N 3.13Å; A1259-T1261 PolarHBondContact O-N 2.99Å; A1259-Q1276 PolarHBondContact O-NE2 3.46Å |
| 1260 | G | 84.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 76.2 | 4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1257 R1258 A1277 H1278 C1280 | T1257-G1260 PolarHBondContact O-N 2.88Å; R1258-G1260 PolarHBondContact O-N 2.85Å; G1260-A1277 CarbonylContact O-C 3.43Å; G1260-A1277 WeakPolarHBondContact O-CA 3.42Å; G1260-A1277 WeakPolarHBondContact O-CB 3.32Å; G1260-A1277 PolarHBondContact O-N 3.18Å; G1260-H1278 CarbonylContact C-O 3.56Å; G1260-H1278 VanDerWaalsContact CA-O 3.28Å; G1260-H1278 WeakPolarHBondContact CA-O 3.35Å; G1260-H1278 PolarHBondContact O-N 3.07Å; G1260-C1280 WeakPolarHBondContact CA-O 3.35Å; G1260-C1280 PolarHBondContact N-O 3.43Å |
| 1261 | T | 86.7 | Confident | 77.8 | Confident | 25 Ų | 25 | 38.5 Ų | 38.5 | 15% | 0.153 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 153.8 | 172.2 | 55.9 | 0 | 0 | 0 | 0 | 111.4 | T1257 A1259 V1274 M1275 | T1257-T1261 WeakPolarHBondContact CB-OG1 3.31Å; T1257-T1261 WeakPolarHBondContact CG2-O 3.28Å; T1257-T1261 WeakPolarHBondContact CG2-OG1 3.49Å; T1257-T1261 PolarHBondContact N-O 2.83Å; T1257-T1261 PolarHBondContact OG1-N 3.44Å; T1257-T1261 VanDerWaalsContact OG1-N 3.16Å; T1257-T1261 PolarHBondContact OG1-O 3.22Å; T1257-T1261 PolarHBondContact OG1-OG1 2.94Å; A1259-T1261 PolarHBondContact O-N 2.99Å; T1261-V1274 HydrophobicContact CG2-CG1 4.43Å; T1261-M1275 CarbonylContact C-O 3.39Å; T1261-M1275 VanDerWaalsContact CA-O 3.27Å; T1261-M1275 WeakPolarHBondContact CA-O 3.02Å |
| 1262 | I | 87.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.4 | 167.2 | -73.2 | -87.9 | 0 | 0 | 0 | 107.7 | A1254 F1255 G1256 V1264 M1275 A1277 V1282 C1285 L1294 T1296 | A1254-I1262 HydrophobicContact CB-CG2 4.36Å; F1255-I1262 CarbonylContact O-C 3.54Å; F1255-I1262 VanDerWaalsContact O-CA 3.27Å; F1255-I1262 WeakPolarHBondContact O-CA 3.41Å; G1256-I1262 VanDerWaalsContact CA-CD1 3.48Å; I1262-V1264 HydrophobicContact CG2-CG2 3.65Å; I1262-M1275 HydrophobicContact CB-CG 3.71Å; I1262-M1275 HydrophobicContact CB-SD 4.27Å; I1262-M1275 HydrophobicContact CG2-CG 3.99Å; I1262-M1275 HydrophobicContact CG2-SD 4.08Å; I1262-M1275 PolarHBondContact N-O 3.44Å; I1262-M1275 PolarHBondContact O-N 3.41Å; I1262-A1277 HydrophobicContact CB-CB 4.19Å; I1262-A1277 HydrophobicContact CG1-CB 3.52Å; I1262-V1282 HydrophobicContact CD1-CG1 4.17Å; I1262-V1282 HydrophobicContact CD1-CG2 4.42Å; I1262-V1282 HydrophobicContact CG1-CG2 4.33Å; I1262-C1285 HydrophobicContact CD1-CB 4.04Å; I1262-L1294 HydrophobicContact CG2-CD2 3.85Å; I1262-T1296 HydrophobicContact CD1-CG2 3.72Å; I1262-T1296 HydrophobicContact CG1-CG2 3.82Å |
| 1263 | I | 81.7 | Confident | 77.4 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 116.1 | 172.3 | -49.7 | 177.1 | 0 | 0 | 0 | 107.6 | A1254 F1255 T1257 Y1265 V1274 | A1254-I1263 CarbonylContact C-O 3.58Å; A1254-I1263 WeakPolarHBondContact CA-O 3.45Å; F1255-I1263 PolarHBondContact N-O 3.28Å; F1255-I1263 PolarHBondContact O-N 3.11Å; T1257-I1263 HydrophobicContact CG2-CD1 4.27Å; T1257-I1263 HydrophobicContact CG2-CG1 4.29Å; I1263-Y1265 HydrophobicContact CB-CE2 4.18Å; I1263-Y1265 HydrophobicContact CG2-CD2 3.91Å; I1263-Y1265 HydrophobicContact CG2-CE1 4.49Å; I1263-Y1265 HydrophobicContact CG2-CE2 3.33Å; I1263-V1274 HydrophobicContact CG1-CG2 4.32Å; I1263-V1274 HydrophobicContact CG2-CG2 4.33Å |
| 1264 | V | 84.1 | Confident | 77.4 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.8 | 176.1 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | R1252 I1253 A1254 I1262 S1272 Q1273 M1275 F1287 L1294 M1309 | R1252-V1264 HydrophobicContact CB-CG1 4.31Å; R1252-V1264 HydrophobicContact CG-CG1 4.44Å; I1253-V1264 CarbonylContact O-C 3.49Å; I1253-V1264 WeakPolarHBondContact O-CA 3.14Å; A1254-V1264 HydrophobicContact CB-CG2 4.05Å; I1262-V1264 HydrophobicContact CG2-CG2 3.65Å; V1264-S1272 CarbonylContact O-C 3.41Å; V1264-S1272 WeakPolarHBondContact O-CA 3.37Å; V1264-Q1273 PolarHBondContact N-O 3.13Å; V1264-Q1273 PolarHBondContact O-N 3.26Å; V1264-M1275 HydrophobicContact CG2-CE 3.74Å; V1264-F1287 HydrophobicContact CG1-CZ 4.09Å; V1264-L1294 HydrophobicContact CG2-CD2 4.15Å; V1264-M1309 HydrophobicContact CB-CE 4.19Å; V1264-M1309 HydrophobicContact CG1-CE 3.9Å; V1264-M1309 HydrophobicContact CG2-CE 3.82Å |
| 1265 | Y | 76.3 | Confident | 77.5 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 11% | 0.106 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 128.4 | 175.6 | -69.2 | -89.9 | 0 | 0 | 0 | 110.5 | D1215 I1218 R1252 I1253 F1255 I1263 S1272 | D1215-Y1265 PolarHBondContact OD1-OH 3.02Å; I1218-Y1265 HydrophobicContact CD1-CD1 3.66Å; I1218-Y1265 HydrophobicContact CD1-CD2 3.27Å; I1218-Y1265 HydrophobicContact CD1-CE1 3.8Å; I1218-Y1265 HydrophobicContact CD1-CE2 3.39Å; I1218-Y1265 HydrophobicContact CD1-CG 3.38Å; I1218-Y1265 HydrophobicContact CG1-CG 4.48Å; I1218-Y1265 HydrophobicContact CG2-CD1 4.22Å; I1218-Y1265 HydrophobicContact CG2-CE1 4.43Å; R1252-Y1265 VanDerWaalsContact CA-O 3.25Å; R1252-Y1265 WeakPolarHBondContact CA-O 3.37Å; I1253-Y1265 HydrophobicContact CG2-CD2 4.4Å; I1253-Y1265 PolarHBondContact N-O 3.17Å; I1253-Y1265 VanDerWaalsContact N-O 3.09Å; I1253-Y1265 PolarHBondContact O-N 3.48Å; F1255-Y1265 AromaticContact CD2-CD2 3.75Å; F1255-Y1265 HydrophobicContact CD2-CD2 3.75Å; F1255-Y1265 AromaticContact CD2-CE2 3.82Å; F1255-Y1265 HydrophobicContact CD2-CE2 3.82Å; F1255-Y1265 AromaticContact CE2-CD2 3.63Å; F1255-Y1265 HydrophobicContact CE2-CD2 3.63Å; F1255-Y1265 AromaticContact CE2-CE2 3.91Å; F1255-Y1265 HydrophobicContact CE2-CE2 3.91Å; I1263-Y1265 HydrophobicContact CB-CE2 4.18Å; I1263-Y1265 HydrophobicContact CG2-CD2 3.91Å; I1263-Y1265 HydrophobicContact CG2-CE1 4.49Å; I1263-Y1265 HydrophobicContact CG2-CE2 3.33Å; Y1265-S1272 VanDerWaalsContact CD1-CB 3.46Å |
| 1266 | E | 77 | Confident | 78 | Confident | 39 Ų | 39 | 51 Ų | 51 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 106.2 | 170.2 | -176.8 | 173.5 | -146.3 | 0 | 0 | 109.7 | R1268 A1269 G1270 K1271 | E1266-R1268 VanDerWaalsContact C-N 3.26Å; E1266-R1268 PolarHBondContact O-N 2.77Å; E1266-A1269 HydrophobicContact CG-CB 4.15Å; E1266-A1269 PolarHBondContact O-N 3.14Å; E1266-G1270 PolarHBondContact O-N 3.24Å; E1266-K1271 PolarHBondContact N-O 3.38Å; E1266-K1271 PolarHBondContact O-N 3.27Å |
| 1267 | L | 70.3 | Confident | 78.3 | Confident | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -21.3 | -169.4 | -59.2 | 173.3 | 0 | 0 | 0 | 113.3 | L1226 V1231 F1246 R1251 I1253 | L1226-L1267 HydrophobicContact CD1-CB 4.35Å; L1226-L1267 HydrophobicContact CD1-CD2 4.04Å; L1226-L1267 HydrophobicContact CD2-CD1 4.19Å; V1231-L1267 HydrophobicContact CG2-CD1 3.82Å; F1246-L1267 HydrophobicContact CD2-CD1 4.47Å; F1246-L1267 HydrophobicContact CE2-CD1 3.76Å; R1251-L1267 VanDerWaalsContact O-CB 3.28Å; R1251-L1267 WeakPolarHBondContact O-CB 3.01Å; R1251-L1267 WeakPolarHBondContact O-CG 3.44Å; R1251-L1267 PolarHBondContact O-N 3.17Å; I1253-L1267 HydrophobicContact CG2-CD2 4.17Å |
| 1268 | R | 68.4 | Low | 79.1 | Confident | 173 Ų | 173 | 50.8 Ų | 50.8 | 65% | 0.653 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -42.9 | 176.6 | -73.6 | -177.1 | 179.9 | 166.3 | 2.1 | 112.7 | R1251 E1266 | R1251-R1268 HydrophobicContact CB-CG 4.35Å; E1266-R1268 VanDerWaalsContact C-N 3.26Å; E1266-R1268 PolarHBondContact O-N 2.77Å |
| 1269 | A | 67.7 | Low | 79.8 | Confident | 54 Ų | 54 | 50.6 Ų | 50.6 | 45% | 0.446 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -13.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1266 K1271 | E1266-A1269 HydrophobicContact CG-CB 4.15Å; E1266-A1269 PolarHBondContact O-N 3.14Å; A1269-K1271 HydrophobicContact CB-CB 4.32Å; A1269-K1271 HydrophobicContact CB-CD 4.29Å; A1269-K1271 HydrophobicContact CB-CG 4.11Å; A1269-K1271 PolarHBondContact O-N 2.83Å |
| 1270 | G | 63.5 | Low | 80.2 | Confident | 60 Ų | 60 | 50 Ų | 50 | 62% | 0.619 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 23.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1266 | E1266-G1270 PolarHBondContact O-N 3.24Š|
| 1271 | K | 70.6 | Confident | 80.2 | Confident | 123 Ų | 123 | 51.2 Ų | 51.2 | 54% | 0.535 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 143.8 | -178 | -71.4 | -176.8 | 179.6 | 176.4 | 0 | 110.9 | E1266 A1269 | E1266-K1271 PolarHBondContact N-O 3.38Å; E1266-K1271 PolarHBondContact O-N 3.27Å; A1269-K1271 HydrophobicContact CB-CB 4.32Å; A1269-K1271 HydrophobicContact CB-CD 4.29Å; A1269-K1271 HydrophobicContact CB-CG 4.11Å; A1269-K1271 PolarHBondContact O-N 2.83Å |
| 1272 | S | 73.4 | Confident | 80.2 | Confident | 73 Ų | 73 | 50 Ų | 50 | 51% | 0.51 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 146.2 | 171.3 | 66.9 | 0 | 0 | 0 | 0 | 110.8 | V1264 Y1265 | V1264-S1272 CarbonylContact O-C 3.41Å; V1264-S1272 WeakPolarHBondContact O-CA 3.37Å; Y1265-S1272 VanDerWaalsContact CD1-CB 3.46Å |
| 1273 | Q | 78.9 | Confident | 80 | Confident | 39 Ų | 39 | 51 Ų | 51 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 120.4 | 174.2 | -175.5 | -173.2 | -15.7 | 0 | 0 | 107.7 | V1264 M1275 S1319 A1321 | V1264-Q1273 PolarHBondContact N-O 3.13Å; V1264-Q1273 PolarHBondContact O-N 3.26Å; Q1273-M1275 HydrophobicContact CG-CE 4.49Å; Q1273-S1319 PolarHBondContact NE2-O 3.32Å; Q1273-S1319 PolarHBondContact OE1-O 3.33Å; Q1273-S1319 PolarHBondContact OE1-OG 3.13Å; Q1273-A1321 VanDerWaalsContact NE2-CB 3.3Å |
| 1274 | V | 82.3 | Confident | 80.3 | Confident | 94 Ų | 94 | 49.5 Ų | 49.5 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.7 | 174.4 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | T1261 I1263 | T1261-V1274 HydrophobicContact CG2-CG1 4.43Å; I1263-V1274 HydrophobicContact CG1-CG2 4.32Å; I1263-V1274 HydrophobicContact CG2-CG2 4.33Å |
| 1275 | M | 86.3 | Confident | 80.7 | Confident | 14 Ų | 14 | 49.5 Ų | 49.5 | 7% | 0.069 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 140.6 | 176.7 | 63.7 | -177.2 | 71.9 | 0 | 0 | 110.5 | T1261 I1262 V1264 Q1273 A1277 W1307 M1309 A1321 | T1261-M1275 CarbonylContact C-O 3.39Å; T1261-M1275 VanDerWaalsContact CA-O 3.27Å; T1261-M1275 WeakPolarHBondContact CA-O 3.02Å; I1262-M1275 HydrophobicContact CB-CG 3.71Å; I1262-M1275 HydrophobicContact CB-SD 4.27Å; I1262-M1275 HydrophobicContact CG2-CG 3.99Å; I1262-M1275 HydrophobicContact CG2-SD 4.08Å; I1262-M1275 PolarHBondContact N-O 3.44Å; I1262-M1275 PolarHBondContact O-N 3.41Å; V1264-M1275 HydrophobicContact CG2-CE 3.74Å; Q1273-M1275 HydrophobicContact CG-CE 4.49Å; M1275-A1277 PolarHBondContact O-N 3.48Å; M1275-W1307 HydrophobicContact SD-CD2 4.1Å; M1275-W1307 HydrophobicContact SD-CE3 3.99Å; M1275-W1307 HydrophobicContact SD-CG 4.42Å; M1275-M1309 HydrophobicContact CE-CE 3.81Å; M1275-M1309 HydrophobicContact CE-SD 3.92Å; M1275-A1321 HydrophobicContact CE-CB 3.12Å; M1275-A1321 HydrophobicContact SD-CB 3.74Å |
| 1276 | Q | 89.6 | Confident | 81.5 | Confident | 114 Ų | 114 | 49.5 Ų | 49.5 | 53% | 0.533 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 104.6 | 172.8 | -167.8 | 71.9 | 31.2 | 0 | 0 | 108.3 | A1259 H1278 W1307 | A1259-Q1276 PolarHBondContact O-NE2 3.46Å; Q1276-H1278 PolarHBondContact NE2-O 3.23Å; Q1276-W1307 VanDerWaalsContact O-CH2 3.29Å; Q1276-W1307 WeakPolarHBondContact O-CH2 3.27Å |
| 1277 | A | 88.7 | Confident | 82.2 | Confident | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | trans | -92 | -37.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1260 I1262 M1275 T1296 N1305 W1307 | G1260-A1277 CarbonylContact O-C 3.43Å; G1260-A1277 WeakPolarHBondContact O-CA 3.42Å; G1260-A1277 WeakPolarHBondContact O-CB 3.32Å; G1260-A1277 PolarHBondContact O-N 3.18Å; I1262-A1277 HydrophobicContact CB-CB 4.19Å; I1262-A1277 HydrophobicContact CG1-CB 3.52Å; M1275-A1277 PolarHBondContact O-N 3.48Å; A1277-T1296 HydrophobicContact CB-CG2 4.37Å; A1277-N1305 PolarHBondContact O-ND2 2.68Å; A1277-W1307 HydrophobicContact CB-CZ2 3.81Å | ||
| 1278 | H | 92.1 | Very high | 83.2 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 3% | 0.032 | 28% | 0.277 | C | S | . | . | trans | -141.6 | 164.1 | -179.3 | -69.5 | -81.3 | 0 | 0 | 0 | 108.9 | G1260 Q1276 C1280 T1296 E1301 K1303 N1305 | G1260-H1278 CarbonylContact C-O 3.56Å; G1260-H1278 VanDerWaalsContact CA-O 3.28Å; G1260-H1278 WeakPolarHBondContact CA-O 3.35Å; G1260-H1278 PolarHBondContact O-N 3.07Å; Q1276-H1278 PolarHBondContact NE2-O 3.23Å; H1278-C1280 WeakPolarHBondContact CB-O 3.17Å; H1278-T1296 PolarHBondContact NE2-O 3.27Å; H1278-T1296 PolarHBondContact NE2-OG1 3.39Å; H1278-E1301 WeakPolarHBondContact CB-OE2 3.17Å; H1278-E1301 IonicContact CE1-OE2 3.33Å; H1278-E1301 IonicContact CG-OE2 2.74Å; H1278-E1301 IonicContact ND1-OE2 2.83Å; H1278-E1301 PolarHBondContact ND1-OE2 2.82Å; H1278-K1303 PolarHBondContact CE1-O 2.89Å; H1278-N1305 PolarHBondContact CE1-ND2 3.21Å; H1278-N1305 VanDerWaalsContact CE1-ND2 3.34Å | ||
| 1279 | S | 89.2 | Confident | 83.9 | Confident | 100 Ų | 100 | 45.1 Ų | 45.1 | 70% | 0.699 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -85.4 | -28.6 | 171 | -8.1 | 0 | 0 | 0 | 0 | 111.4 | E1301 | S1279-E1301 WeakPolarHBondContact CA-OE1 3.29Å; S1279-E1301 WeakPolarHBondContact CB-OE1 3.29Å; S1279-E1301 PolarHBondContact N-OE1 3.4Å; S1279-E1301 PolarHBondContact OG-OE1 3.27Å |
| 1280 | C | 85.3 | Confident | 84.6 | Confident | 50 Ų | 50 | 44.3 Ų | 44.3 | 34% | 0.338 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -108.8 | -178.3 | 173.7 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | G1260 H1278 V1282 D1300 E1301 | G1260-C1280 WeakPolarHBondContact CA-O 3.35Å; G1260-C1280 PolarHBondContact N-O 3.43Å; H1278-C1280 WeakPolarHBondContact CB-O 3.17Å; C1280-V1282 PolarHBondContact O-N 3.46Å; C1280-D1300 HydrophobicContact CB-CB 3.62Å; C1280-E1301 HydrophobicContact CB-CG 3.75Å; C1280-E1301 PolarHBondContact N-OE1 2.82Å |
| 1281 | S | 84.2 | Confident | 85.6 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 19% | 0.189 | 24% | 0.238 | C | C | . | . | trans | -57.9 | 135 | -173.3 | -174.7 | 0 | 0 | 0 | 0 | 112.8 | R1258 S1283 S1298 | R1258-S1281 WeakPolarHBondContact O-CA 3.36Å; S1281-S1283 PolarHBondContact O-N 3.17Å; S1281-S1298 WeakPolarHBondContact O-CA 3.36Å; S1281-S1298 VanDerWaalsContact O-CB 3.25Å; S1281-S1298 WeakPolarHBondContact O-CB 3.5Å; S1281-S1298 PolarHBondContact O-OG 3.49Å | ||
| 1282 | V | 87.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -76.7 | 117.2 | 170.2 | -173.1 | 0 | 0 | 0 | 0 | 109.1 | T1257 I1262 C1280 A1284 Y1297 | T1257-V1282 PolarHBondContact O-N 3.35Å; I1262-V1282 HydrophobicContact CD1-CG1 4.17Å; I1262-V1282 HydrophobicContact CD1-CG2 4.42Å; I1262-V1282 HydrophobicContact CG1-CG2 4.33Å; C1280-V1282 PolarHBondContact O-N 3.46Å; V1282-A1284 WeakPolarHBondContact CG1-O 3.42Å; V1282-Y1297 CarbonylContact C-O 3.6Å; V1282-Y1297 WeakPolarHBondContact CG1-O 3.21Å | ||
| 1283 | S | 83 | Confident | 87.3 | Confident | 19 Ų | 19 | 40 Ų | 40 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | trans | -91.7 | -30.7 | -179.6 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | P1242 S1281 Y1297 S1299 | P1242-S1283 WeakPolarHBondContact CG-O 3.42Å; S1281-S1283 PolarHBondContact O-N 3.17Å; S1283-Y1297 PolarHBondContact N-O 3.1Å; S1283-Y1297 WeakPolarHBondContact OG-CD1 3.37Å; S1283-Y1297 WeakPolarHBondContact OG-CE1 3.44Å; S1283-Y1297 PolarHBondContact OG-O 2.8Å; S1283-S1299 PolarHBondContact OG-N 2.82Å; S1283-S1299 VanDerWaalsContact OG-N 3.12Å | ||
| 1284 | A | 88.5 | Confident | 88 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 150.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1242 V1282 T1296 Y1297 I1344 | P1242-A1284 HydrophobicContact CB-CB 4.01Å; P1242-A1284 CarbonylContact O-C 3.53Å; P1242-A1284 VanDerWaalsContact O-CA 3.28Å; P1242-A1284 WeakPolarHBondContact O-CA 3.34Å; V1282-A1284 WeakPolarHBondContact CG1-O 3.42Å; A1284-T1296 CarbonylContact O-C 3.54Å; A1284-T1296 WeakPolarHBondContact O-CA 3.34Å; A1284-Y1297 PolarHBondContact N-O 2.82Å; A1284-Y1297 PolarHBondContact O-N 3.14Å; A1284-I1344 HydrophobicContact CB-CD1 3.95Å; A1284-I1344 HydrophobicContact CB-CG1 3.83Å |
| 1285 | C | 91.1 | Very high | 88.6 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 148.9 | 168 | 78.4 | 0 | 0 | 0 | 0 | 110.7 | P1242 M1243 I1262 L1294 A1295 T1296 | P1242-C1285 PolarHBondContact O-N 2.75Å; P1242-C1285 VanDerWaalsContact O-O 3.07Å; M1243-C1285 PolarHBondContact O-SG 3.3Å; I1262-C1285 HydrophobicContact CD1-CB 4.04Å; C1285-L1294 HydrophobicContact CB-CD1 4.32Å; C1285-A1295 CarbonylContact C-O 3.42Å; C1285-A1295 WeakPolarHBondContact CA-O 3.43Å; C1285-T1296 HydrophobicContact CB-CG2 4.1Å |
| 1286 | C | 93 | Very high | 88.9 | Confident | 27 Ų | 27 | 33 Ų | 33 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 128.3 | 177.7 | -163.4 | 0 | 0 | 0 | 0 | 111.5 | S1245 A1295 I1344 W1346 | S1245-C1286 WeakPolarHBondContact OG-CA 3.46Å; C1286-A1295 PolarHBondContact N-O 2.78Å; C1286-A1295 PolarHBondContact O-N 3.13Å; C1286-I1344 HydrophobicContact CB-CB 3.69Å; C1286-I1344 HydrophobicContact CB-CG2 3.66Å; C1286-I1344 WeakPolarHBondContact CB-O 3.18Å; C1286-I1344 PolarHBondContact SG-O 3.33Å; C1286-I1344 VanDerWaalsContact SG-O 3.4Å; C1286-W1346 PolarHBondContact O-NE1 3.47Å |
| 1287 | F | 92.3 | Very high | 89.1 | Confident | 8 Ų | 8 | 28.1 Ų | 28.1 | 4% | 0.035 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 147.5 | 169.3 | -77.6 | -73.4 | 0 | 0 | 0 | 111.1 | S1245 R1252 A1254 V1264 H1293 L1294 M1309 W1346 | S1245-F1287 WeakPolarHBondContact O-CE2 3.11Å; S1245-F1287 PolarHBondContact OG-N 3.11Å; R1252-F1287 HydrophobicContact CB-CE2 4.39Å; R1252-F1287 HydrophobicContact CB-CZ 4.04Å; A1254-F1287 HydrophobicContact CB-CD2 4.38Å; A1254-F1287 HydrophobicContact CB-CE2 3.42Å; A1254-F1287 VanDerWaalsContact CB-CE2 3.42Å; A1254-F1287 HydrophobicContact CB-CZ 3.64Å; V1264-F1287 HydrophobicContact CG1-CZ 4.09Å; F1287-H1293 WeakPolarHBondContact CA-O 3.42Å; F1287-H1293 WeakPolarHBondContact CD1-O 3.27Å; F1287-L1294 HydrophobicContact CD1-CB 3.96Å; F1287-L1294 HydrophobicContact CD1-CD1 3.92Å; F1287-L1294 HydrophobicContact CD1-CG 4.48Å; F1287-L1294 HydrophobicContact CD2-CD1 4.12Å; F1287-L1294 HydrophobicContact CE1-CB 3.93Å; F1287-L1294 HydrophobicContact CE1-CD1 4.01Å; F1287-L1294 HydrophobicContact CE1-CD2 4.35Å; F1287-L1294 HydrophobicContact CE1-CG 4.32Å; F1287-L1294 HydrophobicContact CE2-CD1 4.21Å; F1287-L1294 HydrophobicContact CG-CD1 3.98Å; F1287-L1294 HydrophobicContact CZ-CD1 4.15Å; F1287-L1294 HydrophobicContact CZ-CD2 4.4Å; F1287-M1309 HydrophobicContact CE1-CG 4.18Å; F1287-W1346 VanDerWaalsContact C-NE1 3.33Å; F1287-W1346 PolarHBondContact O-NE1 2.82Å |
| 1288 | S | 90.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | trans | -64.7 | 156.5 | 162.6 | 58.9 | 0 | 0 | 0 | 0 | 110.5 | D1290 G1291 K1292 H1293 | S1288-D1290 WeakPolarHBondContact CB-OD1 3.32Å; S1288-D1290 PolarHBondContact O-N 2.89Å; S1288-D1290 PolarHBondContact OG-OD1 2.87Å; S1288-G1291 WeakPolarHBondContact O-CA 3.44Å; S1288-G1291 PolarHBondContact O-N 2.99Å; S1288-K1292 PolarHBondContact OG-N 3.28Å; S1288-H1293 PolarHBondContact N-O 2.82Å; S1288-H1293 PolarHBondContact OG-N 2.77Å; S1288-H1293 PolarHBondContact OG-O 2.95Å | ||
| 1289 | D | 83.1 | Confident | 88.7 | Confident | 126 Ų | 126 | 30 Ų | 30 | 67% | 0.674 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -35.6 | -179.5 | -76.3 | -18.5 | 0 | 0 | 0 | 113 | N1249 G1291 | N1249-D1289 PolarHBondContact ND2-O 3.4Å; D1289-G1291 VanDerWaalsContact C-N 3.27Å; D1289-G1291 PolarHBondContact O-N 2.79Å |
| 1290 | D | 84 | Confident | 88.4 | Confident | 37 Ų | 37 | 30.5 Ų | 30.5 | 20% | 0.198 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -7.7 | 175.8 | 71.3 | -12.6 | 0 | 0 | 0 | 113.9 | S1288 K1292 | S1288-D1290 WeakPolarHBondContact CB-OD1 3.32Å; S1288-D1290 PolarHBondContact O-N 2.89Å; S1288-D1290 PolarHBondContact OG-OD1 2.87Å; D1290-K1292 PolarHBondContact O-N 2.91Å; D1290-K1292 PolarHBondContact OD1-N 2.83Å; D1290-K1292 VanDerWaalsContact OD1-N 3.12Å; D1290-K1292 VanDerWaalsContact OD2-CD 3.29Å; D1290-K1292 WeakPolarHBondContact OD2-CD 3.39Å; D1290-K1292 WeakPolarHBondContact OD2-CG 3.47Å |
| 1291 | G | 84.7 | Confident | 88.5 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 69.9 | 6.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1247 S1288 D1289 | S1247-G1291 WeakPolarHBondContact OG-CA 3.37Å; S1288-G1291 WeakPolarHBondContact O-CA 3.44Å; S1288-G1291 PolarHBondContact O-N 2.99Å; D1289-G1291 VanDerWaalsContact C-N 3.27Å; D1289-G1291 PolarHBondContact O-N 2.79Å |
| 1292 | K | 87.5 | Confident | 88.7 | Confident | 126 Ų | 126 | 29 Ų | 29 | 55% | 0.548 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -78.6 | -23.4 | 178.6 | -66.6 | -173.3 | -171.8 | 168.8 | 0 | 113 | S1288 D1290 M1309 | S1288-K1292 PolarHBondContact OG-N 3.28Å; D1290-K1292 PolarHBondContact O-N 2.91Å; D1290-K1292 PolarHBondContact OD1-N 2.83Å; D1290-K1292 VanDerWaalsContact OD1-N 3.12Å; D1290-K1292 VanDerWaalsContact OD2-CD 3.29Å; D1290-K1292 WeakPolarHBondContact OD2-CD 3.39Å; D1290-K1292 WeakPolarHBondContact OD2-CG 3.47Å; K1292-M1309 WeakPolarHBondContact O-CB 3.42Å; K1292-M1309 PolarHBondContact O-N 2.72Å |
| 1293 | H | 90.9 | Very high | 88.9 | Confident | 37 Ų | 37 | 32.1 Ų | 32.1 | 17% | 0.171 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149 | 179.6 | -58.7 | 85.4 | 0 | 0 | 0 | 111.3 | F1287 S1288 V1306 W1307 W1346 | F1287-H1293 WeakPolarHBondContact CA-O 3.42Å; F1287-H1293 WeakPolarHBondContact CD1-O 3.27Å; S1288-H1293 PolarHBondContact N-O 2.82Å; S1288-H1293 PolarHBondContact OG-N 2.77Å; S1288-H1293 PolarHBondContact OG-O 2.95Å; H1293-V1306 HydrophobicContact CB-CG1 4.34Å; H1293-W1307 CarbonylContact C-O 3.55Å; H1293-W1307 WeakPolarHBondContact CA-O 3.29Å; H1293-W1346 HydrophobicContact CB-CH2 3.41Å; H1293-W1346 VanDerWaalsContact CB-CH2 3.41Å; H1293-W1346 HydrophobicContact CB-CZ2 3.91Å; H1293-W1346 HydrophobicContact CB-CZ3 4.19Å |
| 1294 | L | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 123.2 | 170.5 | 176 | 65.7 | 0 | 0 | 0 | 108.1 | A1254 I1262 V1264 C1285 F1287 T1296 V1306 W1307 M1309 | A1254-L1294 HydrophobicContact CB-CD1 4.05Å; A1254-L1294 HydrophobicContact CB-CD2 3.92Å; I1262-L1294 HydrophobicContact CG2-CD2 3.85Å; V1264-L1294 HydrophobicContact CG2-CD2 4.15Å; C1285-L1294 HydrophobicContact CB-CD1 4.32Å; F1287-L1294 HydrophobicContact CD1-CB 3.96Å; F1287-L1294 HydrophobicContact CD1-CD1 3.92Å; F1287-L1294 HydrophobicContact CD1-CG 4.48Å; F1287-L1294 HydrophobicContact CD2-CD1 4.12Å; F1287-L1294 HydrophobicContact CE1-CB 3.93Å; F1287-L1294 HydrophobicContact CE1-CD1 4.01Å; F1287-L1294 HydrophobicContact CE1-CD2 4.35Å; F1287-L1294 HydrophobicContact CE1-CG 4.32Å; F1287-L1294 HydrophobicContact CE2-CD1 4.21Å; F1287-L1294 HydrophobicContact CG-CD1 3.98Å; F1287-L1294 HydrophobicContact CZ-CD1 4.15Å; F1287-L1294 HydrophobicContact CZ-CD2 4.4Å; L1294-T1296 HydrophobicContact CD2-CG2 4.26Å; L1294-T1296 HydrophobicContact CG-CG2 4.1Å; L1294-V1306 WeakPolarHBondContact O-CA 3.43Å; L1294-W1307 HydrophobicContact CB-CB 4.28Å; L1294-W1307 PolarHBondContact N-O 2.78Å; L1294-W1307 WeakPolarHBondContact O-CB 3.49Å; L1294-W1307 VanDerWaalsContact O-CD1 3.27Å; L1294-W1307 PolarHBondContact O-N 2.82Å; L1294-M1309 HydrophobicContact CB-CG 3.86Å; L1294-M1309 HydrophobicContact CB-SD 4.04Å; L1294-M1309 HydrophobicContact CD2-SD 4.37Å |
| 1295 | A | 94.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 138.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | C1285 C1286 N1305 V1306 I1344 W1346 V1352 | C1285-A1295 CarbonylContact C-O 3.42Å; C1285-A1295 WeakPolarHBondContact CA-O 3.43Å; C1286-A1295 PolarHBondContact N-O 2.78Å; C1286-A1295 PolarHBondContact O-N 3.13Å; A1295-N1305 CarbonylContact C-O 3.46Å; A1295-N1305 WeakPolarHBondContact CA-O 3.49Å; A1295-V1306 HydrophobicContact CB-CG2 4.31Å; A1295-I1344 HydrophobicContact CB-CD1 4.25Å; A1295-I1344 HydrophobicContact CB-CG2 3.89Å; A1295-W1346 HydrophobicContact CB-CZ2 3.64Å; A1295-V1352 HydrophobicContact CB-CG2 3.94Å |
| 1296 | T | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.5 | 179.6 | 64.3 | 0 | 0 | 0 | 0 | 109.1 | I1262 A1277 H1278 A1284 C1285 L1294 L1304 N1305 W1307 | I1262-T1296 HydrophobicContact CD1-CG2 3.72Å; I1262-T1296 HydrophobicContact CG1-CG2 3.82Å; A1277-T1296 HydrophobicContact CB-CG2 4.37Å; H1278-T1296 PolarHBondContact NE2-O 3.27Å; H1278-T1296 PolarHBondContact NE2-OG1 3.39Å; A1284-T1296 CarbonylContact O-C 3.54Å; A1284-T1296 WeakPolarHBondContact O-CA 3.34Å; C1285-T1296 HydrophobicContact CB-CG2 4.1Å; L1294-T1296 HydrophobicContact CD2-CG2 4.26Å; L1294-T1296 HydrophobicContact CG-CG2 4.1Å; T1296-L1304 CarbonylContact O-C 3.44Å; T1296-L1304 VanDerWaalsContact O-CA 3.24Å; T1296-L1304 WeakPolarHBondContact O-CA 3.1Å; T1296-N1305 PolarHBondContact N-O 3.49Å; T1296-N1305 PolarHBondContact O-N 3.2Å; T1296-W1307 PolarHBondContact OG1-NE1 3.3Å |
| 1297 | Y | 92.3 | Very high | 89.8 | Confident | 11 Ų | 11 | 31.2 Ų | 31.2 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 140.8 | -179.6 | 173.4 | -115.6 | 0 | 0 | 0 | 110.1 | V1282 S1283 A1284 K1303 L1304 V1329 L1354 L1356 | V1282-Y1297 CarbonylContact C-O 3.6Å; V1282-Y1297 WeakPolarHBondContact CG1-O 3.21Å; S1283-Y1297 PolarHBondContact N-O 3.1Å; S1283-Y1297 WeakPolarHBondContact OG-CD1 3.37Å; S1283-Y1297 WeakPolarHBondContact OG-CE1 3.44Å; S1283-Y1297 PolarHBondContact OG-O 2.8Å; A1284-Y1297 PolarHBondContact N-O 2.82Å; A1284-Y1297 PolarHBondContact O-N 3.14Å; Y1297-K1303 WeakPolarHBondContact CA-O 3.29Å; Y1297-K1303 WeakPolarHBondContact CD2-O 3.35Å; Y1297-L1304 HydrophobicContact CD2-CB 4.2Å; Y1297-V1329 HydrophobicContact CD2-CG2 4.07Å; Y1297-V1329 HydrophobicContact CE2-CB 4.1Å; Y1297-V1329 HydrophobicContact CE2-CG1 4.5Å; Y1297-V1329 HydrophobicContact CE2-CG2 3.61Å; Y1297-L1354 HydrophobicContact CD1-CD1 3.63Å; Y1297-L1354 HydrophobicContact CD1-CD2 4.08Å; Y1297-L1354 HydrophobicContact CD1-CG 4.49Å; Y1297-L1354 HydrophobicContact CD2-CD1 4.3Å; Y1297-L1354 HydrophobicContact CD2-CD2 3.55Å; Y1297-L1354 HydrophobicContact CE1-CD1 4.14Å; Y1297-L1354 HydrophobicContact CE1-CD2 4.04Å; Y1297-L1354 HydrophobicContact CE2-CD2 3.52Å; Y1297-L1354 HydrophobicContact CG-CD1 3.74Å; Y1297-L1354 HydrophobicContact CG-CD2 3.87Å; Y1297-L1354 HydrophobicContact CG-CG 4.49Å; Y1297-L1356 HydrophobicContact CE1-CD2 3.89Å; Y1297-L1356 WeakPolarHBondContact OH-CD2 2.95Å |
| 1298 | S | 89.8 | Confident | 89.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 124 | 167.5 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | S1281 D1300 A1302 K1303 | S1281-S1298 WeakPolarHBondContact O-CA 3.36Å; S1281-S1298 VanDerWaalsContact O-CB 3.25Å; S1281-S1298 WeakPolarHBondContact O-CB 3.5Å; S1281-S1298 PolarHBondContact O-OG 3.49Å; S1298-D1300 VanDerWaalsContact C-N 3.34Å; S1298-A1302 WeakPolarHBondContact O-CA 3.2Å; S1298-A1302 PolarHBondContact O-N 2.8Å; S1298-K1303 PolarHBondContact N-O 3.37Å; S1298-K1303 PolarHBondContact O-N 2.78Å; S1298-K1303 VanDerWaalsContact O-N 3.16Å |
| 1299 | S | 83.4 | Confident | 89.5 | Confident | 52 Ų | 52 | 34.4 Ų | 34.4 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -36.4 | 174.6 | 48.8 | 0 | 0 | 0 | 0 | 112 | S1283 E1301 A1302 | S1283-S1299 PolarHBondContact OG-N 2.82Å; S1283-S1299 VanDerWaalsContact OG-N 3.12Å; S1299-E1301 VanDerWaalsContact C-N 3.32Å; S1299-E1301 PolarHBondContact O-N 2.88Å; S1299-A1302 PolarHBondContact O-N 3.31Å |
| 1300 | D | 82.6 | Confident | 88.9 | Confident | 110 Ų | 110 | 30.6 Ų | 30.6 | 59% | 0.588 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -34.1 | -176.7 | -57.2 | -26.5 | 0 | 0 | 0 | 111.3 | C1280 S1298 | C1280-D1300 HydrophobicContact CB-CB 3.62Å; S1298-D1300 VanDerWaalsContact C-N 3.34Å |
| 1301 | E | 88 | Confident | 87.8 | Confident | 33 Ų | 33 | 34.5 Ų | 34.5 | 15% | 0.154 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -9.8 | 175.2 | -51.4 | -171.8 | 149.4 | 0 | 0 | 113.4 | H1278 S1279 C1280 S1299 K1303 | H1278-E1301 WeakPolarHBondContact CB-OE2 3.17Å; H1278-E1301 IonicContact CE1-OE2 3.33Å; H1278-E1301 IonicContact CG-OE2 2.74Å; H1278-E1301 IonicContact ND1-OE2 2.83Å; H1278-E1301 PolarHBondContact ND1-OE2 2.82Å; S1279-E1301 WeakPolarHBondContact CA-OE1 3.29Å; S1279-E1301 WeakPolarHBondContact CB-OE1 3.29Å; S1279-E1301 PolarHBondContact N-OE1 3.4Å; S1279-E1301 PolarHBondContact OG-OE1 3.27Å; C1280-E1301 HydrophobicContact CB-CG 3.75Å; C1280-E1301 PolarHBondContact N-OE1 2.82Å; S1299-E1301 VanDerWaalsContact C-N 3.32Å; S1299-E1301 PolarHBondContact O-N 2.88Å; E1301-K1303 HydrophobicContact CB-CB 4.06Å; E1301-K1303 HydrophobicContact CB-CD 3.99Å; E1301-K1303 HydrophobicContact CB-CG 4.21Å; E1301-K1303 WeakPolarHBondContact O-CG 3.41Å; E1301-K1303 PolarHBondContact O-N 3.5Å |
| 1302 | A | 87.9 | Confident | 86.5 | Confident | 12 Ų | 12 | 35.6 Ų | 35.6 | 10% | 0.099 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 46.5 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1298 S1299 V1329 | S1298-A1302 WeakPolarHBondContact O-CA 3.2Å; S1298-A1302 PolarHBondContact O-N 2.8Å; S1299-A1302 PolarHBondContact O-N 3.31Å; A1302-V1329 WeakPolarHBondContact CB-O 3.47Å; A1302-V1329 PolarHBondContact O-N 2.96Å |
| 1303 | K | 91.5 | Very high | 84.7 | Confident | 67 Ų | 67 | 38.2 Ų | 38.2 | 29% | 0.291 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 136.4 | -175.8 | -79.5 | 168.5 | -178.2 | 175.8 | 0 | 112.1 | H1278 Y1297 S1298 E1301 F1327 | H1278-K1303 PolarHBondContact CE1-O 2.89Å; Y1297-K1303 WeakPolarHBondContact CA-O 3.29Å; Y1297-K1303 WeakPolarHBondContact CD2-O 3.35Å; S1298-K1303 PolarHBondContact N-O 3.37Å; S1298-K1303 PolarHBondContact O-N 2.78Å; S1298-K1303 VanDerWaalsContact O-N 3.16Å; E1301-K1303 HydrophobicContact CB-CB 4.06Å; E1301-K1303 HydrophobicContact CB-CD 3.99Å; E1301-K1303 HydrophobicContact CB-CG 4.21Å; E1301-K1303 WeakPolarHBondContact O-CG 3.41Å; E1301-K1303 PolarHBondContact O-N 3.5Å; K1303-F1327 CarbonylContact C-O 3.55Å; K1303-F1327 WeakPolarHBondContact CA-O 2.96Å |
| 1304 | L | 94.1 | Very high | 83 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120.3 | 170.8 | -174.8 | 147.4 | 0 | 0 | 0 | 110.1 | T1296 Y1297 V1306 Q1326 F1327 V1329 I1344 V1352 L1354 F1364 | T1296-L1304 CarbonylContact O-C 3.44Å; T1296-L1304 VanDerWaalsContact O-CA 3.24Å; T1296-L1304 WeakPolarHBondContact O-CA 3.1Å; Y1297-L1304 HydrophobicContact CD2-CB 4.2Å; L1304-V1306 HydrophobicContact CD2-CG2 3.7Å; L1304-Q1326 CarbonylContact O-C 3.47Å; L1304-Q1326 WeakPolarHBondContact O-CA 3.24Å; L1304-F1327 HydrophobicContact CB-CB 4.45Å; L1304-F1327 HydrophobicContact CD2-CD2 3.77Å; L1304-F1327 HydrophobicContact CD2-CE2 4.42Å; L1304-F1327 PolarHBondContact N-O 3Å; L1304-F1327 PolarHBondContact O-N 2.95Å; L1304-V1329 HydrophobicContact CB-CG2 4.32Å; L1304-I1344 HydrophobicContact CD1-CD1 4.27Å; L1304-I1344 HydrophobicContact CD1-CG1 4.4Å; L1304-V1352 HydrophobicContact CD2-CG1 4.15Å; L1304-L1354 HydrophobicContact CD1-CB 3.98Å; L1304-L1354 HydrophobicContact CD1-CD2 4.39Å; L1304-F1364 HydrophobicContact CD1-CD2 4.15Å; L1304-F1364 HydrophobicContact CD1-CE2 4.13Å |
| 1305 | N | 95 | Very high | 81 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.048 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 141.2 | 177.4 | -68 | -15.7 | 0 | 0 | 0 | 110.3 | A1277 H1278 A1295 T1296 W1307 R1325 Q1326 | A1277-N1305 PolarHBondContact O-ND2 2.68Å; H1278-N1305 PolarHBondContact CE1-ND2 3.21Å; H1278-N1305 VanDerWaalsContact CE1-ND2 3.34Å; A1295-N1305 CarbonylContact C-O 3.46Å; A1295-N1305 WeakPolarHBondContact CA-O 3.49Å; T1296-N1305 PolarHBondContact N-O 3.49Å; T1296-N1305 PolarHBondContact O-N 3.2Å; N1305-W1307 HydrophobicContact CB-CZ2 4.13Å; N1305-R1325 CarbonylContact C-O 3.58Å; N1305-R1325 WeakPolarHBondContact CA-O 3.41Å; N1305-Q1326 WeakPolarHBondContact OD1-CB 3.41Å; N1305-Q1326 WeakPolarHBondContact OD1-CG 3.28Å |
| 1306 | V | 93.9 | Very high | 78.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125.8 | 175.2 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | H1293 L1294 A1295 L1304 V1324 R1325 F1327 W1346 I1366 | H1293-V1306 HydrophobicContact CB-CG1 4.34Å; L1294-V1306 WeakPolarHBondContact O-CA 3.43Å; A1295-V1306 HydrophobicContact CB-CG2 4.31Å; L1304-V1306 HydrophobicContact CD2-CG2 3.7Å; V1306-V1324 HydrophobicContact CB-CG2 4.47Å; V1306-V1324 HydrophobicContact CG1-CG2 4.3Å; V1306-V1324 VanDerWaalsContact O-CG2 3.24Å; V1306-V1324 WeakPolarHBondContact O-CG2 3.47Å; V1306-V1324 PolarHBondContact O-N 2.77Å; V1306-R1325 HydrophobicContact CB-CB 4.21Å; V1306-R1325 PolarHBondContact N-O 2.85Å; V1306-R1325 PolarHBondContact O-N 2.84Å; V1306-F1327 HydrophobicContact CG2-CE2 4.1Å; V1306-W1346 HydrophobicContact CG1-CH2 3.95Å; V1306-W1346 HydrophobicContact CG1-CZ2 4.44Å; V1306-I1366 HydrophobicContact CG1-CD1 4Å; V1306-I1366 HydrophobicContact CG1-CG1 4.3Å; V1306-I1366 HydrophobicContact CG1-CG2 4.2Å; V1306-I1366 HydrophobicContact CG2-CD1 4.31Å; V1306-I1366 HydrophobicContact CG2-CG1 4.17Å |
| 1307 | W | 93.1 | Very high | 76.8 | Confident | 22 Ų | 22 | 56 Ų | 56 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.1 | -172.9 | -57 | 82.5 | 0 | 0 | 0 | 109.4 | M1275 Q1276 A1277 H1293 L1294 T1296 N1305 M1309 A1321 K1322 C1323 | M1275-W1307 HydrophobicContact SD-CD2 4.1Å; M1275-W1307 HydrophobicContact SD-CE3 3.99Å; M1275-W1307 HydrophobicContact SD-CG 4.42Å; Q1276-W1307 VanDerWaalsContact O-CH2 3.29Å; Q1276-W1307 WeakPolarHBondContact O-CH2 3.27Å; A1277-W1307 HydrophobicContact CB-CZ2 3.81Å; H1293-W1307 CarbonylContact C-O 3.55Å; H1293-W1307 WeakPolarHBondContact CA-O 3.29Å; L1294-W1307 HydrophobicContact CB-CB 4.28Å; L1294-W1307 PolarHBondContact N-O 2.78Å; L1294-W1307 WeakPolarHBondContact O-CB 3.49Å; L1294-W1307 VanDerWaalsContact O-CD1 3.27Å; L1294-W1307 PolarHBondContact O-N 2.82Å; T1296-W1307 PolarHBondContact OG1-NE1 3.3Å; N1305-W1307 HydrophobicContact CB-CZ2 4.13Å; W1307-M1309 HydrophobicContact CB-SD 4.19Å; W1307-A1321 HydrophobicContact CE3-CB 4.42Å; W1307-K1322 CarbonylContact C-O 3.56Å; W1307-K1322 WeakPolarHBondContact CA-O 3.47Å; W1307-C1323 HydrophobicContact CD2-CB 4.17Å; W1307-C1323 HydrophobicContact CE3-CB 3.86Å; W1307-C1323 HydrophobicContact CH2-CB 3.72Å; W1307-C1323 HydrophobicContact CZ2-CB 4Å; W1307-C1323 HydrophobicContact CZ3-CB 3.67Å |
| 1308 | L | 89.6 | Confident | 75 | Confident | 71 Ų | 71 | 64 Ų | 64 | 37% | 0.372 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 120.4 | 165.9 | -177.2 | 69.6 | 0 | 0 | 0 | 108.4 | A1310 A1321 K1322 V1324 | L1308-A1310 PolarHBondContact O-N 3.34Å; L1308-A1321 WeakPolarHBondContact O-CA 3.17Å; L1308-K1322 PolarHBondContact N-O 2.77Å; L1308-K1322 PolarHBondContact O-N 2.66Å; L1308-K1322 VanDerWaalsContact O-N 3.11Å; L1308-V1324 HydrophobicContact CB-CG1 3.67Å; L1308-V1324 HydrophobicContact CB-CG2 4.41Å; L1308-V1324 HydrophobicContact CD2-CG1 4.49Å |
| 1309 | M | 86.1 | Confident | 73.6 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.03 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 81 | -174.9 | -61.7 | -60.9 | -57.6 | 0 | 0 | 109.4 | R1252 V1264 M1275 F1287 K1292 L1294 W1307 Q1311 A1321 | R1252-M1309 PolarHBondContact NH1-O 2.88Å; V1264-M1309 HydrophobicContact CB-CE 4.19Å; V1264-M1309 HydrophobicContact CG1-CE 3.9Å; V1264-M1309 HydrophobicContact CG2-CE 3.82Å; M1275-M1309 HydrophobicContact CE-CE 3.81Å; M1275-M1309 HydrophobicContact CE-SD 3.92Å; F1287-M1309 HydrophobicContact CE1-CG 4.18Å; K1292-M1309 WeakPolarHBondContact O-CB 3.42Å; K1292-M1309 PolarHBondContact O-N 2.72Å; L1294-M1309 HydrophobicContact CB-CG 3.86Å; L1294-M1309 HydrophobicContact CB-SD 4.04Å; L1294-M1309 HydrophobicContact CD2-SD 4.37Å; W1307-M1309 HydrophobicContact CB-SD 4.19Å; M1309-Q1311 PolarHBondContact O-N 2.8Å; M1309-A1321 HydrophobicContact CE-CB 4.28Å; M1309-A1321 HydrophobicContact SD-CB 3.75Å |
| 1310 | A | 70 | Confident | 72.9 | Confident | 47 Ų | 47 | 69.5 Ų | 69.5 | 39% | 0.388 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 136.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1308 S1319 Q1320 | L1308-A1310 PolarHBondContact O-N 3.34Å; A1310-S1319 PolarHBondContact O-OG 3.49Å; A1310-S1319 VanDerWaalsContact O-OG 3.1Å; A1310-Q1320 WeakPolarHBondContact CB-O 3.47Å; A1310-Q1320 PolarHBondContact N-O 3.01Å; A1310-Q1320 VanDerWaalsContact N-O 3.13Å |
| 1311 | Q | 62.5 | Low | 72.9 | Confident | 118 Ų | 118 | 65.3 Ų | 65.3 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 130.7 | 167.9 | -152.8 | 164.4 | 19.6 | 0 | 0 | 106.9 | M1309 F1313 | M1309-Q1311 PolarHBondContact O-N 2.8Å; Q1311-F1313 PolarHBondContact O-N 2.89Å |
| 1312 | S | 55.4 | Low | 72.8 | Confident | 27 Ų | 27 | 70.9 Ų | 70.9 | 19% | 0.189 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 128.8 | 176.5 | 53.7 | 0 | 0 | 0 | 0 | 109.3 | L1314 G1315 G1317 | S1312-L1314 PolarHBondContact O-N 3.32Å; S1312-G1315 PolarHBondContact O-N 2.77Å; S1312-G1315 VanDerWaalsContact O-N 3.09Å; S1312-G1315 WeakPolarHBondContact OG-CA 3.4Å; S1312-G1317 WeakPolarHBondContact CB-O 3.38Å; S1312-G1317 PolarHBondContact OG-O 2.95Å |
| 1313 | F | 50.9 | Low | 72.9 | Confident | 181 Ų | 181 | 72.5 Ų | 72.5 | 79% | 0.794 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -56.3 | 122.3 | 176.5 | -168.5 | -99.5 | 0 | 0 | 0 | 108.4 | Q1311 G1315 | Q1311-F1313 PolarHBondContact O-N 2.89Å; F1313-G1315 PolarHBondContact O-N 3.24Å; F1313-G1315 VanDerWaalsContact O-N 3.12Å |
| 1314 | L | 55.2 | Low | 72.8 | Confident | 149 Ų | 149 | 72.3 Ų | 72.3 | 78% | 0.78 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | 60.7 | 11.9 | -176.2 | -68.7 | 156.7 | 0 | 0 | 0 | 116.6 | S1312 M1316 | S1312-L1314 PolarHBondContact O-N 3.32Å; L1314-M1316 PolarHBondContact O-N 3.16Å; L1314-M1316 VanDerWaalsContact O-N 3.13Å |
| 1315 | G | 51.1 | Low | 72.6 | Confident | 47 Ų | 47 | 77.4 Ų | 77.4 | 49% | 0.485 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | 73 | -4.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1312 F1313 G1317 | S1312-G1315 PolarHBondContact O-N 2.77Å; S1312-G1315 VanDerWaalsContact O-N 3.09Å; S1312-G1315 WeakPolarHBondContact OG-CA 3.4Å; F1313-G1315 PolarHBondContact O-N 3.24Å; F1313-G1315 VanDerWaalsContact O-N 3.12Å; G1315-G1317 PolarHBondContact O-N 2.84Å |
| 1316 | M | 48.2 | Very low | 72.5 | Confident | 175 Ų | 175 | 82.1 Ų | 82.1 | 86% | 0.862 | 43% | 0.43 | S | S | * | . | trans | -90 | 70.6 | 175.4 | -79.2 | 164.1 | 61.5 | 0 | 0 | 109.7 | L1314 | L1314-M1316 PolarHBondContact O-N 3.16Å; L1314-M1316 VanDerWaalsContact O-N 3.13Å | ||
| 1317 | G | 51.8 | Low | 72.4 | Confident | 39 Ų | 39 | 83.6 Ų | 83.6 | 40% | 0.402 | 44% | 0.437 | S | S | . | . | S | Bend | trans | 171.6 | 156 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1312 G1315 S1319 | S1312-G1317 WeakPolarHBondContact CB-O 3.38Å; S1312-G1317 PolarHBondContact OG-O 2.95Å; G1315-G1317 PolarHBondContact O-N 2.84Å; G1317-S1319 PolarHBondContact O-N 3.4Å |
| 1318 | Q | 55 | Low | 72.2 | Confident | 179 Ų | 179 | 87.6 Ų | 87.6 | 84% | 0.836 | 46% | 0.464 | S | S | * | . | trans | -70 | 123.1 | 170.6 | -64.7 | -145.7 | -4 | 0 | 0 | 108.9 | Q1320 | Q1318-Q1320 PolarHBondContact O-N 2.82Å; Q1318-Q1320 VanDerWaalsContact O-N 3.17Å | ||
| 1319 | S | 60.7 | Low | 72 | Confident | 23 Ų | 23 | 84.4 Ų | 84.4 | 16% | 0.161 | 45% | 0.447 | C | S | . | . | trans | -52.9 | 119.9 | 165.2 | 170.5 | 0 | 0 | 0 | 0 | 107.7 | Q1273 A1310 G1317 | Q1273-S1319 PolarHBondContact NE2-O 3.32Å; Q1273-S1319 PolarHBondContact OE1-O 3.33Å; Q1273-S1319 PolarHBondContact OE1-OG 3.13Å; A1310-S1319 PolarHBondContact O-OG 3.49Å; A1310-S1319 VanDerWaalsContact O-OG 3.1Å; G1317-S1319 PolarHBondContact O-N 3.4Å | ||
| 1320 | Q | 69.3 | Low | 71.5 | Confident | 145 Ų | 145 | 88.2 Ų | 88.2 | 68% | 0.678 | 47% | 0.472 | S | S | * | . | trans | -104.5 | 137.5 | 174.2 | -69.6 | -149.4 | -5 | 0 | 0 | 109.7 | A1310 Q1318 | A1310-Q1320 WeakPolarHBondContact CB-O 3.47Å; A1310-Q1320 PolarHBondContact N-O 3.01Å; A1310-Q1320 VanDerWaalsContact N-O 3.13Å; Q1318-Q1320 PolarHBondContact O-N 2.82Å; Q1318-Q1320 VanDerWaalsContact O-N 3.17Å | ||
| 1321 | A | 81.7 | Confident | 71.1 | Confident | 21 Ų | 21 | 92.6 Ų | 92.6 | 17% | 0.174 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 128.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q1273 M1275 W1307 L1308 M1309 | Q1273-A1321 VanDerWaalsContact NE2-CB 3.3Å; M1275-A1321 HydrophobicContact CE-CB 3.12Å; M1275-A1321 HydrophobicContact SD-CB 3.74Å; W1307-A1321 HydrophobicContact CE3-CB 4.42Å; L1308-A1321 WeakPolarHBondContact O-CA 3.17Å; M1309-A1321 HydrophobicContact CE-CB 4.28Å; M1309-A1321 HydrophobicContact SD-CB 3.75Å |
| 1322 | K | 86.3 | Confident | 70.7 | Confident | 151 Ų | 151 | 89.6 Ų | 89.6 | 66% | 0.657 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126.3 | 178.3 | -176.2 | 178.7 | 178 | -179 | 0 | 108.7 | W1307 L1308 V1324 | W1307-K1322 CarbonylContact C-O 3.56Å; W1307-K1322 WeakPolarHBondContact CA-O 3.47Å; L1308-K1322 PolarHBondContact N-O 2.77Å; L1308-K1322 PolarHBondContact O-N 2.66Å; L1308-K1322 VanDerWaalsContact O-N 3.11Å; K1322-V1324 PolarHBondContact O-N 2.81Å |
| 1323 | C | 88.6 | Confident | 70.2 | Confident | 45 Ų | 45 | 96.5 Ų | 96.5 | 30% | 0.304 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 116.7 | 168.7 | -170.8 | 0 | 0 | 0 | 0 | 108.3 | W1307 R1325 | W1307-C1323 HydrophobicContact CD2-CB 4.17Å; W1307-C1323 HydrophobicContact CE3-CB 3.86Å; W1307-C1323 HydrophobicContact CH2-CB 3.72Å; W1307-C1323 HydrophobicContact CZ2-CB 4Å; W1307-C1323 HydrophobicContact CZ3-CB 3.67Å; C1323-R1325 PolarHBondContact SG-O 3.4Å |
| 1324 | V | 89.4 | Confident | 69.7 | Low | 64 Ų | 64 | 95.6 Ų | 95.6 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -28.8 | -178.8 | -72.4 | 0 | 0 | 0 | 0 | 112.1 | V1306 L1308 K1322 | V1306-V1324 HydrophobicContact CB-CG2 4.47Å; V1306-V1324 HydrophobicContact CG1-CG2 4.3Å; V1306-V1324 VanDerWaalsContact O-CG2 3.24Å; V1306-V1324 WeakPolarHBondContact O-CG2 3.47Å; V1306-V1324 PolarHBondContact O-N 2.77Å; L1308-V1324 HydrophobicContact CB-CG1 3.67Å; L1308-V1324 HydrophobicContact CB-CG2 4.41Å; L1308-V1324 HydrophobicContact CD2-CG1 4.49Å; K1322-V1324 PolarHBondContact O-N 2.81Å |
| 1325 | R | 90.9 | Very high | 69.1 | Low | 106 Ų | 106 | 92.2 Ų | 92.2 | 40% | 0.4 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 145.4 | -179.7 | -64.3 | -79.8 | -96.4 | 170.7 | 2 | 110.4 | N1305 V1306 C1323 F1327 A1365 I1366 | N1305-R1325 CarbonylContact C-O 3.58Å; N1305-R1325 WeakPolarHBondContact CA-O 3.41Å; V1306-R1325 HydrophobicContact CB-CB 4.21Å; V1306-R1325 PolarHBondContact N-O 2.85Å; V1306-R1325 PolarHBondContact O-N 2.84Å; C1323-R1325 PolarHBondContact SG-O 3.4Å; R1325-F1327 HydrophobicContact CB-CD2 4.47Å; R1325-F1327 HydrophobicContact CB-CE2 3.64Å; R1325-F1327 HydrophobicContact CB-CZ 3.89Å; R1325-F1327 HydrophobicContact CG-CE2 4.46Å; R1325-F1327 HydrophobicContact CG-CZ 4.3Å; R1325-A1365 PolarHBondContact NH2-O 3.35Å; R1325-I1366 WeakPolarHBondContact CD-OXT 3.08Å; R1325-I1366 HydrophobicContact CG-CG2 4.3Å; R1325-I1366 WeakPolarHBondContact CG-OXT 3.4Å; R1325-I1366 PolarHBondContact NE-OXT 2.65Å |
| 1326 | Q | 93 | Very high | 68.6 | Low | 108 Ų | 108 | 95.9 Ų | 95.9 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 130.8 | 174.6 | 168.6 | 169.1 | -3.3 | 0 | 0 | 108.3 | L1304 N1305 | L1304-Q1326 CarbonylContact O-C 3.47Å; L1304-Q1326 WeakPolarHBondContact O-CA 3.24Å; N1305-Q1326 WeakPolarHBondContact OD1-CB 3.41Å; N1305-Q1326 WeakPolarHBondContact OD1-CG 3.28Å |
| 1327 | F | 91.6 | Very high | 68.1 | Low | 32 Ų | 32 | 95.2 Ų | 95.2 | 14% | 0.14 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 134.5 | -177.6 | -57.5 | -81 | 0 | 0 | 0 | 109.4 | K1303 L1304 V1306 R1325 F1364 A1365 | K1303-F1327 CarbonylContact C-O 3.55Å; K1303-F1327 WeakPolarHBondContact CA-O 2.96Å; L1304-F1327 HydrophobicContact CB-CB 4.45Å; L1304-F1327 HydrophobicContact CD2-CD2 3.77Å; L1304-F1327 HydrophobicContact CD2-CE2 4.42Å; L1304-F1327 PolarHBondContact N-O 3Å; L1304-F1327 PolarHBondContact O-N 2.95Å; V1306-F1327 HydrophobicContact CG2-CE2 4.1Å; R1325-F1327 HydrophobicContact CB-CD2 4.47Å; R1325-F1327 HydrophobicContact CB-CE2 3.64Å; R1325-F1327 HydrophobicContact CB-CZ 3.89Å; R1325-F1327 HydrophobicContact CG-CE2 4.46Å; R1325-F1327 HydrophobicContact CG-CZ 4.3Å; F1327-F1364 HydrophobicContact CB-CD1 3.64Å; F1327-F1364 HydrophobicContact CB-CE1 3.73Å; F1327-F1364 HydrophobicContact CB-CG 4.36Å; F1327-F1364 HydrophobicContact CD1-CB 4.36Å; F1327-F1364 AromaticContact CD1-CD1 3.7Å; F1327-F1364 HydrophobicContact CD1-CD1 3.7Å; F1327-F1364 HydrophobicContact CD1-CE1 4.49Å; F1327-F1364 HydrophobicContact CD1-CG 4.38Å; F1327-F1364 HydrophobicContact CD2-CB 4.12Å; F1327-F1364 HydrophobicContact CD2-CD1 4.2Å; F1327-F1364 HydrophobicContact CD2-CG 4.23Å; F1327-F1364 HydrophobicContact CE1-CB 4.31Å; F1327-F1364 HydrophobicContact CE1-CD1 4.4Å; F1327-F1364 HydrophobicContact CE2-CB 4.05Å; F1327-F1364 HydrophobicContact CG-CB 4.26Å; F1327-F1364 AromaticContact CG-CD1 3.58Å; F1327-F1364 HydrophobicContact CG-CD1 3.58Å; F1327-F1364 HydrophobicContact CG-CE1 4.2Å; F1327-F1364 HydrophobicContact CG-CG 4.08Å; F1327-F1364 HydrophobicContact CZ-CB 4.15Å; F1327-A1365 WeakPolarHBondContact CZ-O 3.48Å |
| 1328 | T | 88.8 | Confident | 67.4 | Low | 105 Ų | 105 | 97.3 Ų | 97.3 | 64% | 0.644 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 130.1 | 169.6 | -48.9 | 0 | 0 | 0 | 0 | 108.5 | ||
| 1329 | V | 84.9 | Confident | 66.9 | Low | 4 Ų | 4 | 93.6 Ų | 93.6 | 2% | 0.024 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -96.4 | 129.9 | 179.1 | -173.1 | 0 | 0 | 0 | 0 | 107.8 | Y1297 A1302 L1304 N1331 L1354 L1356 F1364 | Y1297-V1329 HydrophobicContact CD2-CG2 4.07Å; Y1297-V1329 HydrophobicContact CE2-CB 4.1Å; Y1297-V1329 HydrophobicContact CE2-CG1 4.5Å; Y1297-V1329 HydrophobicContact CE2-CG2 3.61Å; A1302-V1329 WeakPolarHBondContact CB-O 3.47Å; A1302-V1329 PolarHBondContact O-N 2.96Å; L1304-V1329 HydrophobicContact CB-CG2 4.32Å; V1329-N1331 PolarHBondContact O-N 3.03Å; V1329-L1354 HydrophobicContact CB-CD2 4.43Å; V1329-L1354 HydrophobicContact CG1-CD2 3.93Å; V1329-L1354 HydrophobicContact CG2-CD2 3.7Å; V1329-L1356 HydrophobicContact CG1-CD1 4.08Å; V1329-F1364 HydrophobicContact CG2-CZ 3.98Å |
| 1330 | P | 75.8 | Confident | 66.5 | Low | 86 Ų | 86 | 94.3 Ų | 94.3 | 56% | 0.558 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -58 | 127.8 | 176.3 | -21.3 | 31.8 | 0 | 0 | 0 | 110.6 | S1332 | P1330-S1332 PolarHBondContact O-N 3.2Š|
| 1331 | N | 61 | Low | 66.5 | Low | 139 Ų | 139 | 93.5 Ų | 93.5 | 74% | 0.743 | 52% | 0.523 | S | S | * | . | trans | -71.9 | 113.8 | -179.2 | -150.9 | 6.8 | 0 | 0 | 0 | 108.6 | V1329 E1333 | V1329-N1331 PolarHBondContact O-N 3.03Å; N1331-E1333 PolarHBondContact O-N 2.72Å | ||
| 1332 | S | 54.7 | Low | 66.5 | Low | 56 Ų | 56 | 93 Ų | 93 | 39% | 0.392 | 52% | 0.518 | S | S | . | . | trans | -81.6 | 111.5 | 170.3 | 79 | 0 | 0 | 0 | 0 | 108.3 | P1330 N1358 | P1330-S1332 PolarHBondContact O-N 3.2Å; S1332-N1358 WeakPolarHBondContact CB-ND2 3.44Å; S1332-N1358 PolarHBondContact OG-ND2 2.74Å; S1332-N1358 VanDerWaalsContact OG-ND2 3.07Å | ||
| 1333 | E | 45.9 | Very low | 66.5 | Low | 171 Ų | 171 | 91.2 Ų | 91.2 | 80% | 0.799 | 51% | 0.51 | S | S | * | . | trans | -48.9 | 143.3 | 173.5 | -67.6 | 179.9 | 158.1 | 0 | 0 | 112.2 | N1331 | N1331-E1333 PolarHBondContact O-N 2.72Š| ||
| 1334 | L | 40.2 | Very low | 66.7 | Low | 162 Ų | 162 | 89.3 Ų | 89.3 | 85% | 0.848 | 50% | 0.497 | S | S | * | . | trans | 49.6 | 82.7 | 165.4 | -80.2 | 90 | 0 | 0 | 0 | 117.3 | ||||
| 1335 | V | 41.9 | Very low | 66.7 | Low | 79 Ų | 79 | 88.7 Ų | 88.7 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | trans | -141.1 | 84 | 142.3 | -163.3 | 0 | 0 | 0 | 0 | 111 | L1337 T1338 | V1335-L1337 PolarHBondContact O-N 3.47Å; V1335-T1338 HydrophobicContact CG1-CG2 3.71Å; V1335-T1338 WeakPolarHBondContact CG1-OG1 3.34Å | ||
| 1336 | S | 39.8 | Very low | 66.7 | Low | 123 Ų | 123 | 84.6 Ų | 84.6 | 86% | 0.86 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -70.7 | -8.1 | 170.8 | -178.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1337 | L | 37.9 | Very low | 66.4 | Low | 161 Ų | 161 | 83.8 Ų | 83.8 | 84% | 0.843 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -126.3 | -13.6 | -162.3 | -81.8 | 148.4 | 0 | 0 | 0 | 117.3 | V1335 | V1335-L1337 PolarHBondContact O-N 3.47Š|
| 1338 | T | 37.4 | Very low | 66.1 | Low | 83 Ų | 83 | 84.6 Ų | 84.6 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | trans | -96.3 | 113.3 | 175.7 | 65.1 | 0 | 0 | 0 | 0 | 109.8 | V1335 G1340 | V1335-T1338 HydrophobicContact CG1-CG2 3.71Å; V1335-T1338 WeakPolarHBondContact CG1-OG1 3.34Å; T1338-G1340 PolarHBondContact O-N 3.03Å | ||
| 1339 | A | 44.7 | Very low | 65.7 | Low | 102 Ų | 102 | 85.2 Ų | 85.2 | 84% | 0.843 | 48% | 0.481 | S | S | * | . | trans | -66 | 28.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1340 | G | 52 | Low | 65.7 | Low | 37 Ų | 37 | 92.3 Ų | 92.3 | 38% | 0.381 | 51% | 0.512 | S | S | . | . | trans | -64.2 | 145 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | T1338 P1357 | T1338-G1340 PolarHBondContact O-N 3.03Å; G1340-P1357 WeakPolarHBondContact O-CB 3.43Å; G1340-P1357 VanDerWaalsContact O-CG 3.29Å; G1340-P1357 WeakPolarHBondContact O-CG 3.46Å | ||
| 1341 | R | 70.1 | Confident | 66.4 | Low | 128 Ų | 128 | 91.3 Ų | 91.3 | 48% | 0.483 | 50% | 0.501 | S | S | . | . | trans | -108.8 | 127.7 | -177 | -67.2 | -178.1 | -175.1 | 177.6 | 1.5 | 108.9 | K1240 P1242 K1343 | K1240-R1341 PolarHBondContact O-NH1 3.12Å; K1240-R1341 VanDerWaalsContact O-NH1 3.17Å; P1242-R1341 HydrophobicContact CG-CB 4.21Å; R1341-K1343 PolarHBondContact O-N 3.16Å | ||
| 1342 | S | 80.6 | Confident | 67.9 | Low | 10 Ų | 10 | 84.7 Ų | 84.7 | 7% | 0.07 | 47% | 0.466 | C | S | . | . | trans | -61.8 | 136.7 | 170.2 | -49.2 | 0 | 0 | 0 | 0 | 109.6 | P1242 M1355 P1357 | P1242-S1342 WeakPolarHBondContact CB-O 3.24Å; S1342-M1355 CarbonylContact C-O 3.51Å; S1342-M1355 WeakPolarHBondContact CA-O 3.39Å; S1342-P1357 WeakPolarHBondContact OG-CD 3.41Å | ||
| 1343 | K | 87.7 | Confident | 69.7 | Low | 114 Ų | 114 | 82.3 Ų | 82.3 | 50% | 0.496 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 137.7 | -179.7 | -171.6 | -178.3 | 178.9 | -173.1 | 0 | 110 | R1341 V1345 M1355 | R1341-K1343 PolarHBondContact O-N 3.16Å; K1343-V1345 HydrophobicContact CD-CG2 4.18Å; K1343-V1345 HydrophobicContact CG-CG2 4.2Å; K1343-M1355 HydrophobicContact CB-CB 4.46Å; K1343-M1355 HydrophobicContact CB-CE 4.42Å; K1343-M1355 HydrophobicContact CD-CE 4.36Å; K1343-M1355 PolarHBondContact N-O 3.04Å; K1343-M1355 PolarHBondContact O-N 3.38Å |
| 1344 | I | 91.9 | Very high | 71.9 | Confident | 6 Ų | 6 | 74.1 Ų | 74.1 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.7 | 173.6 | -60.3 | 172.2 | 0 | 0 | 0 | 108.8 | A1284 C1286 A1295 L1304 V1352 T1353 L1354 | A1284-I1344 HydrophobicContact CB-CD1 3.95Å; A1284-I1344 HydrophobicContact CB-CG1 3.83Å; C1286-I1344 HydrophobicContact CB-CB 3.69Å; C1286-I1344 HydrophobicContact CB-CG2 3.66Å; C1286-I1344 WeakPolarHBondContact CB-O 3.18Å; C1286-I1344 PolarHBondContact SG-O 3.33Å; C1286-I1344 VanDerWaalsContact SG-O 3.4Å; A1295-I1344 HydrophobicContact CB-CD1 4.25Å; A1295-I1344 HydrophobicContact CB-CG2 3.89Å; L1304-I1344 HydrophobicContact CD1-CD1 4.27Å; L1304-I1344 HydrophobicContact CD1-CG1 4.4Å; I1344-V1352 HydrophobicContact CG2-CG2 3.31Å; I1344-T1353 CarbonylContact C-O 3.52Å; I1344-T1353 WeakPolarHBondContact CA-O 3.36Å; I1344-L1354 HydrophobicContact CG1-CD1 3.77Å |
| 1345 | V | 90.3 | Very high | 74.2 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 30% | 0.303 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129.3 | 178.1 | -177.5 | 0 | 0 | 0 | 0 | 109 | K1343 T1353 M1355 | K1343-V1345 HydrophobicContact CD-CG2 4.18Å; K1343-V1345 HydrophobicContact CG-CG2 4.2Å; V1345-T1353 PolarHBondContact N-O 3.07Å; V1345-T1353 PolarHBondContact O-N 3.36Å; V1345-M1355 HydrophobicContact CG2-SD 3.95Å |
| 1346 | W | 90.4 | Very high | 76.3 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 8% | 0.08 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.7 | 172.1 | -69.2 | 84.2 | 0 | 0 | 0 | 109.1 | C1286 F1287 H1293 A1295 V1306 V1352 I1366 | C1286-W1346 PolarHBondContact O-NE1 3.47Å; F1287-W1346 VanDerWaalsContact C-NE1 3.33Å; F1287-W1346 PolarHBondContact O-NE1 2.82Å; H1293-W1346 HydrophobicContact CB-CH2 3.41Å; H1293-W1346 VanDerWaalsContact CB-CH2 3.41Å; H1293-W1346 HydrophobicContact CB-CZ2 3.91Å; H1293-W1346 HydrophobicContact CB-CZ3 4.19Å; A1295-W1346 HydrophobicContact CB-CZ2 3.64Å; V1306-W1346 HydrophobicContact CG1-CH2 3.95Å; V1306-W1346 HydrophobicContact CG1-CZ2 4.44Å; W1346-V1352 HydrophobicContact CD2-CB 4.21Å; W1346-V1352 HydrophobicContact CD2-CG2 4.11Å; W1346-V1352 HydrophobicContact CE3-CB 4.24Å; W1346-V1352 HydrophobicContact CG-CG2 4.39Å; W1346-V1352 HydrophobicContact CZ2-CG2 4.45Å; W1346-I1366 HydrophobicContact CE3-CD1 3.96Å; W1346-I1366 HydrophobicContact CH2-CD1 3.15Å; W1346-I1366 HydrophobicContact CZ2-CD1 4.25Å; W1346-I1366 HydrophobicContact CZ3-CD1 2.98Å; W1346-I1366 HydrophobicContact CZ3-CG1 4.49Å |
| 1347 | I | 86.8 | Confident | 77.8 | Confident | 90 Ų | 90 | 63 Ų | 63 | 46% | 0.462 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -33.8 | 174.4 | -60.6 | -179.8 | 0 | 0 | 0 | 109.8 | I1351 T1353 | I1347-I1351 HydrophobicContact CB-CB 4.5Å; I1347-I1351 HydrophobicContact CB-CG2 4.32Å; I1347-I1351 HydrophobicContact CD1-CG2 4.48Å; I1347-I1351 PolarHBondContact N-O 3.47Å; I1347-T1353 WeakPolarHBondContact CD1-OG1 3.47Å; I1347-T1353 WeakPolarHBondContact CG1-OG1 3.25Å |
| 1348 | S | 85.5 | Confident | 79.5 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 172.3 | 171.4 | 71.4 | 0 | 0 | 0 | 0 | 109.1 | K1350 I1351 | S1348-K1350 PolarHBondContact O-N 3.35Å; S1348-K1350 PolarHBondContact OG-N 3.34Å; S1348-I1351 PolarHBondContact N-O 3.34Å; S1348-I1351 PolarHBondContact O-N 3.3Å; S1348-I1351 VanDerWaalsContact O-N 3.11Å; S1348-I1351 VanDerWaalsContact O-O 3.07Å; S1348-I1351 PolarHBondContact OG-N 3.29Å; S1348-I1351 VanDerWaalsContact OG-N 3.16Å |
| 1349 | Q | 81 | Confident | 81.3 | Confident | 117 Ų | 117 | 57.7 Ų | 57.7 | 55% | 0.547 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.7 | 174.3 | -66 | 179 | -2.2 | 0 | 0 | 113.9 | ||
| 1350 | K | 85.1 | Confident | 83.2 | Confident | 154 Ų | 154 | 54.6 Ų | 54.6 | 67% | 0.67 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -5.9 | -179.8 | -61.3 | -172.7 | 179.6 | -176.8 | 0 | 113.8 | S1348 A1365 I1366 | S1348-K1350 PolarHBondContact O-N 3.35Å; S1348-K1350 PolarHBondContact OG-N 3.34Å; K1350-A1365 CarbonylContact O-C 3.3Å; K1350-A1365 WeakPolarHBondContact O-CA 3.39Å; K1350-I1366 PolarHBondContact O-N 3.47Å |
| 1351 | I | 90.4 | Very high | 84.8 | Confident | 65 Ų | 65 | 58.2 Ų | 58.2 | 33% | 0.333 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 119.7 | -174.1 | -58 | 175.1 | 0 | 0 | 0 | 109.7 | I1347 S1348 F1364 | I1347-I1351 HydrophobicContact CB-CB 4.5Å; I1347-I1351 HydrophobicContact CB-CG2 4.32Å; I1347-I1351 HydrophobicContact CD1-CG2 4.48Å; I1347-I1351 PolarHBondContact N-O 3.47Å; S1348-I1351 PolarHBondContact N-O 3.34Å; S1348-I1351 PolarHBondContact O-N 3.3Å; S1348-I1351 VanDerWaalsContact O-N 3.11Å; S1348-I1351 VanDerWaalsContact O-O 3.07Å; S1348-I1351 PolarHBondContact OG-N 3.29Å; S1348-I1351 VanDerWaalsContact OG-N 3.16Å; I1351-F1364 WeakPolarHBondContact CA-O 3.43Å |
| 1352 | V | 92.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.7 | 175.6 | 68.2 | 0 | 0 | 0 | 0 | 110.2 | A1295 L1304 I1344 W1346 F1364 I1366 | A1295-V1352 HydrophobicContact CB-CG2 3.94Å; L1304-V1352 HydrophobicContact CD2-CG1 4.15Å; I1344-V1352 HydrophobicContact CG2-CG2 3.31Å; W1346-V1352 HydrophobicContact CD2-CB 4.21Å; W1346-V1352 HydrophobicContact CD2-CG2 4.11Å; W1346-V1352 HydrophobicContact CE3-CB 4.24Å; W1346-V1352 HydrophobicContact CG-CG2 4.39Å; W1346-V1352 HydrophobicContact CZ2-CG2 4.45Å; V1352-F1364 HydrophobicContact CG1-CB 3.9Å; V1352-F1364 HydrophobicContact CG1-CD2 4.45Å; V1352-F1364 PolarHBondContact N-O 3.38Å; V1352-F1364 PolarHBondContact O-N 2.76Å; V1352-I1366 HydrophobicContact CB-CD1 4.1Å; V1352-I1366 HydrophobicContact CG1-CD1 3.99Å; V1352-I1366 HydrophobicContact CG1-CG1 4.19Å |
| 1353 | T | 92.5 | Very high | 86.2 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.2 | 179.6 | -52.6 | 0 | 0 | 0 | 0 | 109.6 | I1344 V1345 I1347 E1361 H1362 R1363 | I1344-T1353 CarbonylContact C-O 3.52Å; I1344-T1353 WeakPolarHBondContact CA-O 3.36Å; V1345-T1353 PolarHBondContact N-O 3.07Å; V1345-T1353 PolarHBondContact O-N 3.36Å; I1347-T1353 WeakPolarHBondContact CD1-OG1 3.47Å; I1347-T1353 WeakPolarHBondContact CG1-OG1 3.25Å; T1353-E1361 HydrophobicContact CG2-CB 4.2Å; T1353-H1362 CarbonylContact C-O 3.57Å; T1353-H1362 WeakPolarHBondContact CA-O 3.33Å; T1353-R1363 HydrophobicContact CG2-CG 3.89Å |
| 1354 | L | 91.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 118.3 | 169.7 | 178.1 | 68.1 | 0 | 0 | 0 | 108.7 | Y1297 L1304 V1329 I1344 L1356 E1361 H1362 F1364 | Y1297-L1354 HydrophobicContact CD1-CD1 3.63Å; Y1297-L1354 HydrophobicContact CD1-CD2 4.08Å; Y1297-L1354 HydrophobicContact CD1-CG 4.49Å; Y1297-L1354 HydrophobicContact CD2-CD1 4.3Å; Y1297-L1354 HydrophobicContact CD2-CD2 3.55Å; Y1297-L1354 HydrophobicContact CE1-CD1 4.14Å; Y1297-L1354 HydrophobicContact CE1-CD2 4.04Å; Y1297-L1354 HydrophobicContact CE2-CD2 3.52Å; Y1297-L1354 HydrophobicContact CG-CD1 3.74Å; Y1297-L1354 HydrophobicContact CG-CD2 3.87Å; Y1297-L1354 HydrophobicContact CG-CG 4.49Å; L1304-L1354 HydrophobicContact CD1-CB 3.98Å; L1304-L1354 HydrophobicContact CD1-CD2 4.39Å; V1329-L1354 HydrophobicContact CB-CD2 4.43Å; V1329-L1354 HydrophobicContact CG1-CD2 3.93Å; V1329-L1354 HydrophobicContact CG2-CD2 3.7Å; I1344-L1354 HydrophobicContact CG1-CD1 3.77Å; L1354-L1356 HydrophobicContact CD2-CD2 4.01Å; L1354-L1356 HydrophobicContact CD2-CG 4.46Å; L1354-L1356 HydrophobicContact CG-CD2 4.24Å; L1354-L1356 HydrophobicContact CG-CG 4.49Å; L1354-E1361 CarbonylContact O-C 3.58Å; L1354-E1361 WeakPolarHBondContact O-CA 3.17Å; L1354-H1362 PolarHBondContact N-O 3.28Å; L1354-H1362 PolarHBondContact O-N 3.49Å; L1354-F1364 HydrophobicContact CB-CE2 3.95Å |
| 1355 | M | 88.2 | Confident | 86.1 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 31% | 0.31 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125.6 | 169.4 | -65.1 | 156.5 | 46.2 | 0 | 0 | 108.4 | S1342 K1343 V1345 S1360 E1361 | S1342-M1355 CarbonylContact C-O 3.51Å; S1342-M1355 WeakPolarHBondContact CA-O 3.39Å; K1343-M1355 HydrophobicContact CB-CB 4.46Å; K1343-M1355 HydrophobicContact CB-CE 4.42Å; K1343-M1355 HydrophobicContact CD-CE 4.36Å; K1343-M1355 PolarHBondContact N-O 3.04Å; K1343-M1355 PolarHBondContact O-N 3.38Å; V1345-M1355 HydrophobicContact CG2-SD 3.95Å; M1355-S1360 WeakPolarHBondContact CA-O 3.33Å; M1355-E1361 HydrophobicContact CG-CG 3.99Å |
| 1356 | L | 84.9 | Confident | 85.5 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -94.4 | 162.8 | 178.6 | -72 | 177.7 | 0 | 0 | 0 | 111.8 | Y1297 V1329 L1354 N1358 G1359 S1360 | Y1297-L1356 HydrophobicContact CE1-CD2 3.89Å; Y1297-L1356 WeakPolarHBondContact OH-CD2 2.95Å; V1329-L1356 HydrophobicContact CG1-CD1 4.08Å; L1354-L1356 HydrophobicContact CD2-CD2 4.01Å; L1354-L1356 HydrophobicContact CD2-CG 4.46Å; L1354-L1356 HydrophobicContact CG-CD2 4.24Å; L1354-L1356 HydrophobicContact CG-CG 4.49Å; L1356-N1358 WeakPolarHBondContact CB-OD1 3.35Å; L1356-N1358 PolarHBondContact O-N 2.67Å; L1356-G1359 PolarHBondContact O-N 2.83Å; L1356-S1360 WeakPolarHBondContact CD1-OG 3.37Å; L1356-S1360 PolarHBondContact N-O 3.27Å |
| 1357 | P | 72.1 | Confident | 85.3 | Confident | 53 Ų | 53 | 62.8 Ų | 62.8 | 34% | 0.344 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -30 | -178 | -29.2 | 39.1 | 0 | 0 | 0 | 115.1 | G1340 S1342 G1359 | G1340-P1357 WeakPolarHBondContact O-CB 3.43Å; G1340-P1357 VanDerWaalsContact O-CG 3.29Å; G1340-P1357 WeakPolarHBondContact O-CG 3.46Å; S1342-P1357 WeakPolarHBondContact OG-CD 3.41Å; P1357-G1359 PolarHBondContact O-N 3.03Å |
| 1358 | N | 74 | Confident | 85.2 | Confident | 71 Ų | 71 | 61.4 Ų | 61.4 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -0.9 | 177.6 | 62.5 | -2.7 | 0 | 0 | 0 | 113.3 | S1332 L1356 S1360 | S1332-N1358 WeakPolarHBondContact CB-ND2 3.44Å; S1332-N1358 PolarHBondContact OG-ND2 2.74Å; S1332-N1358 VanDerWaalsContact OG-ND2 3.07Å; L1356-N1358 WeakPolarHBondContact CB-OD1 3.35Å; L1356-N1358 PolarHBondContact O-N 2.67Å; N1358-S1360 PolarHBondContact ND2-OG 3.24Å; N1358-S1360 WeakPolarHBondContact OD1-CB 3.29Å; N1358-S1360 PolarHBondContact OD1-N 2.76Å; N1358-S1360 PolarHBondContact OD1-OG 2.99Å |
| 1359 | G | 75.3 | Confident | 85.2 | Confident | 60 Ų | 60 | 62 Ų | 62 | 62% | 0.619 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 85.5 | -0.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1356 P1357 | L1356-G1359 PolarHBondContact O-N 2.83Å; P1357-G1359 PolarHBondContact O-N 3.03Å |
| 1360 | S | 83.4 | Confident | 85.5 | Confident | 37 Ų | 37 | 58.8 Ų | 58.8 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | trans | -73.1 | 138.4 | 176.6 | 74.6 | 0 | 0 | 0 | 0 | 111.3 | M1355 L1356 N1358 H1362 | M1355-S1360 WeakPolarHBondContact CA-O 3.33Å; L1356-S1360 WeakPolarHBondContact CD1-OG 3.37Å; L1356-S1360 PolarHBondContact N-O 3.27Å; N1358-S1360 PolarHBondContact ND2-OG 3.24Å; N1358-S1360 WeakPolarHBondContact OD1-CB 3.29Å; N1358-S1360 PolarHBondContact OD1-N 2.76Å; N1358-S1360 PolarHBondContact OD1-OG 2.99Å; S1360-H1362 PolarHBondContact OG-NE2 3.27Å | ||
| 1361 | E | 86.7 | Confident | 85.5 | Confident | 113 Ų | 113 | 52.8 Ų | 52.8 | 53% | 0.528 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 126.4 | 179.1 | -58.7 | -168 | 167 | 0 | 0 | 110.4 | T1353 L1354 M1355 | T1353-E1361 HydrophobicContact CG2-CB 4.2Å; L1354-E1361 CarbonylContact O-C 3.58Å; L1354-E1361 WeakPolarHBondContact O-CA 3.17Å; M1355-E1361 HydrophobicContact CG-CG 3.99Å |
| 1362 | H | 89.3 | Confident | 85.2 | Confident | 47 Ų | 47 | 52 Ų | 52 | 22% | 0.218 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 119.1 | 175.7 | -63.2 | -81.5 | 0 | 0 | 0 | 109.7 | T1353 L1354 S1360 F1364 | T1353-H1362 CarbonylContact C-O 3.57Å; T1353-H1362 WeakPolarHBondContact CA-O 3.33Å; L1354-H1362 PolarHBondContact N-O 3.28Å; L1354-H1362 PolarHBondContact O-N 3.49Å; S1360-H1362 PolarHBondContact OG-NE2 3.27Å; H1362-F1364 HydrophobicContact CB-CE2 3.62Å; H1362-F1364 HydrophobicContact CB-CZ 3.59Å; H1362-F1364 WeakPolarHBondContact O-CE2 3.11Å |
| 1363 | R | 91.4 | Very high | 84.6 | Confident | 171 Ų | 171 | 55.7 Ų | 55.7 | 65% | 0.645 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 133.7 | 177.6 | -61.6 | -169.4 | 177.5 | 174.5 | 0.7 | 110.4 | T1353 | T1353-R1363 HydrophobicContact CG2-CG 3.89Å |
| 1364 | F | 89.8 | Confident | 84 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.8 | -179.8 | -54.3 | -83.3 | 0 | 0 | 0 | 109.7 | L1304 F1327 V1329 I1351 V1352 L1354 H1362 | L1304-F1364 HydrophobicContact CD1-CD2 4.15Å; L1304-F1364 HydrophobicContact CD1-CE2 4.13Å; F1327-F1364 HydrophobicContact CB-CD1 3.64Å; F1327-F1364 HydrophobicContact CB-CE1 3.73Å; F1327-F1364 HydrophobicContact CB-CG 4.36Å; F1327-F1364 HydrophobicContact CD1-CB 4.36Å; F1327-F1364 AromaticContact CD1-CD1 3.7Å; F1327-F1364 HydrophobicContact CD1-CD1 3.7Å; F1327-F1364 HydrophobicContact CD1-CE1 4.49Å; F1327-F1364 HydrophobicContact CD1-CG 4.38Å; F1327-F1364 HydrophobicContact CD2-CB 4.12Å; F1327-F1364 HydrophobicContact CD2-CD1 4.2Å; F1327-F1364 HydrophobicContact CD2-CG 4.23Å; F1327-F1364 HydrophobicContact CE1-CB 4.31Å; F1327-F1364 HydrophobicContact CE1-CD1 4.4Å; F1327-F1364 HydrophobicContact CE2-CB 4.05Å; F1327-F1364 HydrophobicContact CG-CB 4.26Å; F1327-F1364 AromaticContact CG-CD1 3.58Å; F1327-F1364 HydrophobicContact CG-CD1 3.58Å; F1327-F1364 HydrophobicContact CG-CE1 4.2Å; F1327-F1364 HydrophobicContact CG-CG 4.08Å; F1327-F1364 HydrophobicContact CZ-CB 4.15Å; V1329-F1364 HydrophobicContact CG2-CZ 3.98Å; I1351-F1364 WeakPolarHBondContact CA-O 3.43Å; V1352-F1364 HydrophobicContact CG1-CB 3.9Å; V1352-F1364 HydrophobicContact CG1-CD2 4.45Å; V1352-F1364 PolarHBondContact N-O 3.38Å; V1352-F1364 PolarHBondContact O-N 2.76Å; L1354-F1364 HydrophobicContact CB-CE2 3.95Å; H1362-F1364 HydrophobicContact CB-CE2 3.62Å; H1362-F1364 HydrophobicContact CB-CZ 3.59Å; H1362-F1364 WeakPolarHBondContact O-CE2 3.11Å |
| 1365 | A | 86.5 | Confident | 83.4 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 54% | 0.537 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 125.3 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | R1325 F1327 K1350 | R1325-A1365 PolarHBondContact NH2-O 3.35Å; F1327-A1365 WeakPolarHBondContact CZ-O 3.48Å; K1350-A1365 CarbonylContact O-C 3.3Å; K1350-A1365 WeakPolarHBondContact O-CA 3.39Å |
| 1366 | I | 79.1 | Confident | 83 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 29% | 0.287 | 36% | 0.364 | S | S | . | . | trans | -82.2 | 0 | -174.5 | -66.6 | 163.3 | 0 | 0 | 0 | 110.8 | V1306 R1325 W1346 K1350 V1352 | V1306-I1366 HydrophobicContact CG1-CD1 4Å; V1306-I1366 HydrophobicContact CG1-CG1 4.3Å; V1306-I1366 HydrophobicContact CG1-CG2 4.2Å; V1306-I1366 HydrophobicContact CG2-CD1 4.31Å; V1306-I1366 HydrophobicContact CG2-CG1 4.17Å; R1325-I1366 WeakPolarHBondContact CD-OXT 3.08Å; R1325-I1366 HydrophobicContact CG-CG2 4.3Å; R1325-I1366 WeakPolarHBondContact CG-OXT 3.4Å; R1325-I1366 PolarHBondContact NE-OXT 2.65Å; W1346-I1366 HydrophobicContact CE3-CD1 3.96Å; W1346-I1366 HydrophobicContact CH2-CD1 3.15Å; W1346-I1366 HydrophobicContact CZ2-CD1 4.25Å; W1346-I1366 HydrophobicContact CZ3-CD1 2.98Å; W1346-I1366 HydrophobicContact CZ3-CG1 4.49Å; K1350-I1366 PolarHBondContact O-N 3.47Å; V1352-I1366 HydrophobicContact CB-CD1 4.1Å; V1352-I1366 HydrophobicContact CG1-CD1 3.99Å; V1352-I1366 HydrophobicContact CG1-CG1 4.19Å |
Retrieved 1,366 of 1,366 residues in 4959.4 ms
(Link to these results)