| 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 | 27.4 | Very low | 32.4 | Very low | 240 Ų | 240 | 122 Ų | 122 | 100% | 1.182 | 64% | 0.639 | S | S | * | * | 0 | 99.5 | 0 | -70.6 | 176.2 | -176.4 | 0 | 0 | 106.3 | |||||
| 2 | T | 24.3 | Very low | 32.9 | Very low | 125 Ų | 125 | 117.8 Ų | 117.8 | 77% | 0.767 | 65% | 0.647 | S | S | * | * | trans | -132.5 | 86.3 | -166 | -38.8 | 0 | 0 | 0 | 0 | 108.6 | F4 | T2-F4 HydrophobicContact CG2-CD2 3.72Å; T2-F4 HydrophobicContact CG2-CE2 4.31Å | ||
| 3 | A | 27.4 | Very low | 34.3 | Very low | 91 Ų | 91 | 112 Ų | 112 | 75% | 0.752 | 62% | 0.615 | S | S | * | * | trans | -94.7 | 110.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 4 | F | 28.8 | Very low | 35.8 | Very low | 145 Ų | 145 | 110.9 Ų | 110.9 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | trans | -140.9 | 114.5 | 178.1 | -90.5 | -88.2 | 0 | 0 | 0 | 112.7 | T2 | T2-F4 HydrophobicContact CG2-CD2 3.72Å; T2-F4 HydrophobicContact CG2-CE2 4.31Å | ||
| 5 | F | 30.7 | Very low | 37.5 | Very low | 184 Ų | 184 | 111.7 Ų | 111.7 | 81% | 0.807 | 63% | 0.63 | S | S | * | * | trans | 52.4 | 110.3 | 143.7 | -86.9 | -100.6 | 0 | 0 | 0 | 121.1 | M7 | F5-M7 PolarHBondContact O-N 3.39Š| ||
| 6 | Q | 37 | Very low | 39 | Very low | 71 Ų | 71 | 106.5 Ų | 106.5 | 33% | 0.332 | 60% | 0.598 | S | S | . | * | trans | -45.3 | 124 | 154.4 | -178.1 | -179 | 6.6 | 0 | 0 | 111.8 | K8 V167 | Q6-K8 HydrophobicContact CG-CG 4.04Å; Q6-K8 PolarHBondContact O-N 2.73Å; Q6-V167 HydrophobicContact CB-CG1 4.14Å; Q6-V167 HydrophobicContact CG-CB 4.42Å; Q6-V167 HydrophobicContact CG-CG1 3.82Å; Q6-V167 HydrophobicContact CG-CG2 4.47Å | ||
| 7 | M | 32.5 | Very low | 40.3 | Very low | 88 Ų | 88 | 102.8 Ų | 102.8 | 43% | 0.433 | 57% | 0.573 | S | S | . | * | trans | -69.3 | 92.4 | 149.8 | -78.2 | 178.2 | 174.1 | 0 | 0 | 106.3 | F5 T9 I129 T132 | F5-M7 PolarHBondContact O-N 3.39Å; M7-T9 PolarHBondContact O-N 3.36Å; M7-I129 HydrophobicContact CE-CD1 3.57Å; M7-T132 PolarHBondContact SD-OG1 3Å | ||
| 8 | K | 36.5 | Very low | 41.5 | Very low | 144 Ų | 144 | 104 Ų | 104 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | trans | -63.4 | 116.1 | 148.3 | -77.7 | -175.7 | 177.2 | -179.9 | 0 | 102.8 | Q6 | Q6-K8 HydrophobicContact CG-CG 4.04Å; Q6-K8 PolarHBondContact O-N 2.73Å | ||
| 9 | T | 37.6 | Very low | 42.8 | Very low | 23 Ų | 23 | 99.8 Ų | 99.8 | 14% | 0.141 | 55% | 0.551 | C | S | . | * | trans | -46.1 | 132.7 | 151.4 | 48.2 | 0 | 0 | 0 | 0 | 105.6 | M7 I11 V107 | M7-T9 PolarHBondContact O-N 3.36Å; T9-I11 CarbonylContact O-C 3.49Å; T9-I11 PolarHBondContact O-N 3.29Å; T9-I11 PolarHBondContact OG1-O 2.87Å; T9-V107 HydrophobicContact CG2-CB 4.35Å; T9-V107 HydrophobicContact CG2-CG1 4.23Å | ||
| 10 | P | 34.4 | Very low | 44.2 | Very low | 126 Ų | 126 | 96 Ų | 96 | 82% | 0.818 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -55.8 | -5 | -177.5 | -26.7 | 34.1 | 0 | 0 | 0 | 114.5 | ||
| 11 | I | 39.4 | Very low | 45.6 | Very low | 105 Ų | 105 | 91.4 Ų | 91.4 | 54% | 0.538 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -126.8 | 106.4 | 172.1 | -53.2 | 170.1 | 0 | 0 | 0 | 105.8 | T9 N13 | T9-I11 CarbonylContact O-C 3.49Å; T9-I11 PolarHBondContact O-N 3.29Å; T9-I11 PolarHBondContact OG1-O 2.87Å; I11-N13 VanDerWaalsContact C-N 3.31Å; I11-N13 PolarHBondContact O-N 2.69Å |
| 12 | G | 39.1 | Very low | 48.1 | Very low | 71 Ų | 71 | 81.4 Ų | 81.4 | 73% | 0.732 | 46% | 0.455 | S | S | * | . | trans | -59.2 | 101.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | A14 | G12-A14 PolarHBondContact O-N 3.16Å; G12-A14 VanDerWaalsContact O-N 3.13Å | ||
| 13 | N | 51.1 | Low | 50.7 | Low | 43 Ų | 43 | 76.6 Ų | 76.6 | 23% | 0.23 | 43% | 0.43 | C | S | . | . | trans | -81.2 | 103 | -173.1 | -160 | -43.1 | 0 | 0 | 0 | 107.2 | I11 D15 K16 | I11-N13 VanDerWaalsContact C-N 3.31Å; I11-N13 PolarHBondContact O-N 2.69Å; N13-D15 PolarHBondContact O-N 3.27Å; N13-K16 HydrophobicContact CB-CD 4.02Å; N13-K16 HydrophobicContact CB-CG 4.09Å; N13-K16 VanDerWaalsContact CG-NZ 3.27Å; N13-K16 PolarHBondContact ND2-NZ 2.75Å; N13-K16 PolarHBondContact O-N 3.26Å | ||
| 14 | A | 54.5 | Low | 53 | Low | 97 Ų | 97 | 76.3 Ų | 76.3 | 80% | 0.802 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -22.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G12 K16 | G12-A14 PolarHBondContact O-N 3.16Å; G12-A14 VanDerWaalsContact O-N 3.13Å; A14-K16 VanDerWaalsContact C-N 3.3Å; A14-K16 PolarHBondContact O-N 3.41Å |
| 15 | D | 62.1 | Low | 55 | Low | 122 Ų | 122 | 69.5 Ų | 69.5 | 65% | 0.652 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 4 | 178.4 | -60.2 | -27.7 | 0 | 0 | 0 | 114.2 | N13 K26 | N13-D15 PolarHBondContact O-N 3.27Å; D15-K26 PolarHBondContact O-NZ 3.43Å |
| 16 | K | 61.1 | Low | 56.7 | Low | 29 Ų | 29 | 62.3 Ų | 62.3 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -116.9 | 135.1 | 179.5 | -57.7 | -174.1 | 171.8 | 56.1 | 0 | 111.2 | N13 A14 R18 G19 I21 I22 F109 | N13-K16 HydrophobicContact CB-CD 4.02Å; N13-K16 HydrophobicContact CB-CG 4.09Å; N13-K16 VanDerWaalsContact CG-NZ 3.27Å; N13-K16 PolarHBondContact ND2-NZ 2.75Å; N13-K16 PolarHBondContact O-N 3.26Å; A14-K16 VanDerWaalsContact C-N 3.3Å; A14-K16 PolarHBondContact O-N 3.41Å; K16-R18 PolarHBondContact O-N 3.49Å; K16-G19 WeakPolarHBondContact CB-O 3.44Å; K16-G19 VanDerWaalsContact CD-O 3.23Å; K16-G19 WeakPolarHBondContact CD-O 3.28Å; K16-G19 PolarHBondContact O-N 3.04Å; K16-I21 CarbonylContact C-O 3.54Å; K16-I22 HydrophobicContact CB-CG2 4.42Å; K16-I22 HydrophobicContact CD-CG2 4.07Å; K16-I22 HydrophobicContact CG-CG2 3.77Å; K16-F109 HydrophobicContact CD-CB 4.06Å; K16-F109 HydrophobicContact CD-CD1 4.15Å; K16-F109 HydrophobicContact CD-CG 4.35Å |
| 17 | Y | 60.4 | Low | 58 | Low | 44 Ų | 44 | 65.3 Ų | 65.3 | 17% | 0.173 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 119 | 176.2 | -179.7 | -99.3 | 0 | 0 | 0 | 109.2 | G19 I21 K29 W144 E148 | Y17-G19 PolarHBondContact O-N 3.29Å; Y17-I21 HydrophobicContact CD1-CB 4.23Å; Y17-I21 HydrophobicContact CD1-CD1 4.19Å; Y17-I21 HydrophobicContact CD1-CG2 4.46Å; Y17-I21 PolarHBondContact N-O 3.29Å; Y17-I21 WeakPolarHBondContact O-CB 3.39Å; Y17-I21 PolarHBondContact O-N 2.7Å; Y17-I21 VanDerWaalsContact O-N 3.11Å; Y17-K29 HydrophobicContact CE1-CD 3.85Å; Y17-K29 HydrophobicContact CE2-CD 4.46Å; Y17-K29 VanDerWaalsContact OH-CE 3.29Å; Y17-K29 WeakPolarHBondContact OH-CE 3.21Å; Y17-W144 HydrophobicContact CD1-CZ3 4.31Å; Y17-W144 HydrophobicContact CE1-CE3 4.42Å; Y17-W144 HydrophobicContact CE1-CZ3 4.4Å; Y17-E148 WeakPolarHBondContact CE1-OE1 3.23Å; Y17-E148 VanDerWaalsContact CZ-OE1 3.26Å; Y17-E148 PolarHBondContact OH-OE1 2.7Å |
| 18 | R | 62.7 | Low | 59.4 | Low | 124 Ų | 124 | 67.7 Ų | 67.7 | 47% | 0.468 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 21.8 | -177.2 | -61.7 | -172.2 | 179.7 | -89.3 | 8.6 | 115.3 | K16 H145 H147 E148 | K16-R18 PolarHBondContact O-N 3.49Å; R18-H145 WeakPolarHBondContact CD-ND1 3.45Å; R18-H147 WeakPolarHBondContact CD-NE2 3.36Å; R18-H147 VanDerWaalsContact CZ-NE2 3.27Å; R18-H147 PolarHBondContact NE-NE2 2.79Å; R18-H147 PolarHBondContact NH1-CD2 2.79Å; R18-H147 PolarHBondContact NH1-NE2 3.36Å; R18-E148 IonicContact CZ-OE1 3.7Å; R18-E148 VanDerWaalsContact NE-CD 3.32Å; R18-E148 IonicContact NE-OE1 3.25Å; R18-E148 PolarHBondContact NE-OE1 3.01Å; R18-E148 IonicContact NH2-OE1 2.88Å; R18-E148 PolarHBondContact NH2-OE1 3.19Å |
| 19 | G | 66.4 | Low | 60.7 | Low | 24 Ų | 24 | 63.6 Ų | 63.6 | 25% | 0.247 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 106 | -29.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K16 Y17 | K16-G19 WeakPolarHBondContact CB-O 3.44Å; K16-G19 VanDerWaalsContact CD-O 3.23Å; K16-G19 WeakPolarHBondContact CD-O 3.28Å; K16-G19 PolarHBondContact O-N 3.04Å; Y17-G19 PolarHBondContact O-N 3.29Å |
| 20 | D | 71.3 | Confident | 61.6 | Low | 23 Ų | 23 | 67.6 Ų | 67.6 | 12% | 0.123 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139.9 | -4 | -167.8 | 60.5 | -8.7 | 0 | 0 | 0 | 114.1 | F109 S110 H135 H139 H145 | D20-F109 CarbonylContact O-C 3.46Å; D20-F109 WeakPolarHBondContact O-CA 3.01Å; D20-F109 WeakPolarHBondContact O-CB 2.67Å; D20-S110 PolarHBondContact O-N 2.6Å; D20-H135 IonicContact OD2-CD2 3.95Å; D20-H135 IonicContact OD2-CE1 2.73Å; D20-H135 IonicContact OD2-NE2 3.18Å; D20-H135 PolarHBondContact OD2-NE2 3.49Å; D20-H139 IonicContact OD1-NE2 3.31Å; D20-H139 IonicContact OD2-CD2 2.7Å; D20-H139 IonicContact OD2-NE2 3.47Å; D20-H139 PolarHBondContact OD2-NE2 3Å; D20-H145 IonicContact OD1-CE1 2.92Å; D20-H145 PolarHBondContact OD1-CE1 2.88Å; D20-H145 IonicContact OD1-NE2 2.64Å; D20-H145 PolarHBondContact OD1-NE2 3.41Å; D20-H145 IonicContact OD2-CD2 3.87Å; D20-H145 IonicContact OD2-CE1 2.65Å; D20-H145 IonicContact OD2-NE2 3.76Å; D20-H145 PolarHBondContact OD2-NE2 3.03Å |
| 21 | I | 73.7 | Confident | 62.4 | Low | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -99.6 | 127.9 | 176.9 | -64.5 | 171.3 | 0 | 0 | 0 | 111.7 | K16 Y17 S110 V112 W144 H145 | K16-I21 CarbonylContact C-O 3.54Å; Y17-I21 HydrophobicContact CD1-CB 4.23Å; Y17-I21 HydrophobicContact CD1-CD1 4.19Å; Y17-I21 HydrophobicContact CD1-CG2 4.46Å; Y17-I21 PolarHBondContact N-O 3.29Å; Y17-I21 WeakPolarHBondContact O-CB 3.39Å; Y17-I21 PolarHBondContact O-N 2.7Å; Y17-I21 VanDerWaalsContact O-N 3.11Å; I21-S110 WeakPolarHBondContact CA-O 3.36Å; I21-V112 HydrophobicContact CD1-CG2 3.82Å; I21-V112 HydrophobicContact CG1-CG2 4.06Å; I21-V112 HydrophobicContact CG2-CG2 3.71Å; I21-W144 HydrophobicContact CD1-CE3 3.71Å; I21-W144 HydrophobicContact CD1-CZ3 4.1Å; I21-W144 HydrophobicContact CG2-CZ3 3.91Å; I21-H145 VanDerWaalsContact CD1-CE1 3.49Å; I21-H145 WeakPolarHBondContact CD1-CE1 3.32Å |
| 22 | I | 79.6 | Confident | 63 | Low | 31 Ų | 31 | 68 Ų | 68 | 16% | 0.159 | 36% | 0.363 | C | S | . | . | trans | -122.1 | -169.3 | -179.4 | 63 | 149.1 | 0 | 0 | 0 | 112.9 | K16 F109 S110 D111 M120 | K16-I22 HydrophobicContact CB-CG2 4.42Å; K16-I22 HydrophobicContact CD-CG2 4.07Å; K16-I22 HydrophobicContact CG-CG2 3.77Å; I22-F109 HydrophobicContact CB-CD2 4.34Å; I22-F109 HydrophobicContact CD1-CD2 3.32Å; I22-F109 HydrophobicContact CD1-CE2 3.31Å; I22-F109 HydrophobicContact CD1-CG 4.48Å; I22-F109 HydrophobicContact CD1-CZ 4.45Å; I22-F109 HydrophobicContact CG1-CD2 3.58Å; I22-F109 HydrophobicContact CG1-CE2 4.11Å; I22-F109 HydrophobicContact CG1-CG 4.44Å; I22-F109 HydrophobicContact CG2-CB 4.06Å; I22-F109 HydrophobicContact CG2-CD2 3.86Å; I22-F109 HydrophobicContact CG2-CE2 4.46Å; I22-F109 HydrophobicContact CG2-CG 4Å; I22-S110 PolarHBondContact N-O 3.14Å; I22-D111 HydrophobicContact CG1-CB 4.29Å; I22-D111 VanDerWaalsContact O-CG 3.23Å; I22-M120 HydrophobicContact CD1-CB 4.49Å | ||
| 23 | G | 78.3 | Confident | 63.4 | Low | 23 Ų | 23 | 68.8 Ų | 68.8 | 24% | 0.237 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | 74.7 | -156 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | A25 K26 R27 D111 | G23-A25 VanDerWaalsContact C-N 3.34Å; G23-K26 PolarHBondContact O-N 3.46Å; G23-R27 PolarHBondContact O-N 3.43Å; G23-D111 WeakPolarHBondContact CA-OD2 3.15Å |
| 24 | K | 75.4 | Confident | 62.9 | Low | 86 Ų | 86 | 72.4 Ų | 72.4 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.5 | -31 | -173.4 | -71.5 | 176.3 | -164.1 | 167.1 | 0 | 111.4 | R27 R28 D111 S115 G116 | K24-R27 PolarHBondContact O-N 2.65Å; K24-R28 PolarHBondContact O-N 3.01Å; K24-R28 VanDerWaalsContact O-N 3.1Å; K24-D111 PolarHBondContact N-OD2 3.47Å; K24-S115 VanDerWaalsContact CD-O 3.22Å; K24-S115 WeakPolarHBondContact CD-O 3.16Å; K24-S115 WeakPolarHBondContact CE-O 3.49Å; K24-S115 PolarHBondContact NZ-O 2.82Å; K24-G116 PolarHBondContact NZ-O 3.1Å; K24-G116 VanDerWaalsContact NZ-O 3.15Å |
| 25 | A | 70.7 | Confident | 62.1 | Low | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.008 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G23 R27 R28 K29 D111 V112 W144 | G23-A25 VanDerWaalsContact C-N 3.34Å; A25-R27 PolarHBondContact O-N 3.02Å; A25-R28 PolarHBondContact O-N 3.47Å; A25-K29 WeakPolarHBondContact O-CB 3.36Å; A25-K29 PolarHBondContact O-N 2.94Å; A25-D111 WeakPolarHBondContact CA-OD1 3.25Å; A25-D111 WeakPolarHBondContact CB-OD1 3.49Å; A25-D111 PolarHBondContact N-OD1 3.04Å; A25-V112 HydrophobicContact CB-CB 3.78Å; A25-V112 HydrophobicContact CB-CG2 4.41Å; A25-W144 HydrophobicContact CB-CH2 3.49Å; A25-W144 VanDerWaalsContact CB-CH2 3.49Å; A25-W144 HydrophobicContact CB-CZ2 3.89Å; A25-W144 HydrophobicContact CB-CZ3 4.43Å |
| 26 | K | 67.6 | Low | 60.9 | Low | 34 Ų | 34 | 72.4 Ų | 72.4 | 15% | 0.148 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -51.2 | -53.4 | 172.1 | 169.5 | 177.8 | -175.8 | -151.7 | 0 | 111.2 | D15 G23 R28 K29 Q30 | D15-K26 PolarHBondContact O-NZ 3.43Å; G23-K26 PolarHBondContact O-N 3.46Å; K26-R28 PolarHBondContact O-N 3.07Å; K26-K29 PolarHBondContact O-N 3.28Å; K26-Q30 HydrophobicContact CG-CG 4.45Å; K26-Q30 WeakPolarHBondContact O-CG 3.13Å; K26-Q30 PolarHBondContact O-N 3.18Å |
| 27 | R | 63.6 | Low | 59.6 | Low | 133 Ų | 133 | 83 Ų | 83 | 50% | 0.502 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | -177.4 | -68 | -167 | -68.1 | -95.9 | 13.5 | 112.1 | G23 K24 A25 Q30 M31 | G23-R27 PolarHBondContact O-N 3.43Å; K24-R27 PolarHBondContact O-N 2.65Å; A25-R27 PolarHBondContact O-N 3.02Å; R27-Q30 PolarHBondContact O-N 3.11Å; R27-M31 WeakPolarHBondContact O-CB 3.35Å; R27-M31 VanDerWaalsContact O-CG 3.22Å; R27-M31 WeakPolarHBondContact O-CG 3.3Å; R27-M31 PolarHBondContact O-N 3.24Å |
| 28 | R | 62.2 | Low | 58.3 | Low | 138 Ų | 138 | 84.8 Ų | 84.8 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | 179.2 | -70.6 | -175.4 | -176.9 | -136.4 | -6.2 | 112.6 | K24 A25 K26 M31 S32 Y50 | K24-R28 PolarHBondContact O-N 3.01Å; K24-R28 VanDerWaalsContact O-N 3.1Å; A25-R28 PolarHBondContact O-N 3.47Å; K26-R28 PolarHBondContact O-N 3.07Å; R28-M31 PolarHBondContact O-N 2.64Å; R28-S32 PolarHBondContact O-N 2.92Å; R28-S32 VanDerWaalsContact O-N 3.1Å; R28-S32 PolarHBondContact O-OG 3.15Å; R28-Y50 PolarHBondContact NH1-OH 3.26Å |
| 29 | K | 63.9 | Low | 57.2 | Low | 58 Ų | 58 | 86.4 Ų | 86.4 | 25% | 0.252 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 177.8 | -168.3 | 164.9 | -170.4 | 166.5 | 0 | 112.1 | Y17 A25 K26 M31 S32 W144 E148 | Y17-K29 HydrophobicContact CE1-CD 3.85Å; Y17-K29 HydrophobicContact CE2-CD 4.46Å; Y17-K29 VanDerWaalsContact OH-CE 3.29Å; Y17-K29 WeakPolarHBondContact OH-CE 3.21Å; A25-K29 WeakPolarHBondContact O-CB 3.36Å; A25-K29 PolarHBondContact O-N 2.94Å; K26-K29 PolarHBondContact O-N 3.28Å; K29-M31 VanDerWaalsContact C-N 3.28Å; K29-M31 PolarHBondContact O-N 2.65Å; K29-S32 PolarHBondContact O-N 2.87Å; K29-W144 HydrophobicContact CB-CH2 3.94Å; K29-W144 HydrophobicContact CB-CZ3 4.4Å; K29-W144 HydrophobicContact CD-CD2 4.2Å; K29-W144 HydrophobicContact CD-CE3 3.74Å; K29-W144 HydrophobicContact CD-CH2 3.6Å; K29-W144 HydrophobicContact CD-CZ2 4.04Å; K29-W144 HydrophobicContact CD-CZ3 3.42Å; K29-W144 VanDerWaalsContact CD-CZ3 3.42Å; K29-W144 HydrophobicContact CG-CH2 4.4Å; K29-E148 WeakPolarHBondContact CE-OE1 3.35Å; K29-E148 IonicContact NZ-OE1 2.88Å; K29-E148 PolarHBondContact NZ-OE1 3.4Å; K29-E148 IonicContact NZ-OE2 2.79Å; K29-E148 PolarHBondContact NZ-OE2 3.23Å |
| 30 | Q | 56.6 | Low | 55.8 | Low | 108 Ų | 108 | 90.2 Ų | 90.2 | 51% | 0.505 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67 | -29.1 | 173.8 | -70.5 | -179.6 | -31.7 | 0 | 0 | 112.6 | K26 R27 | K26-Q30 HydrophobicContact CG-CG 4.45Å; K26-Q30 WeakPolarHBondContact O-CG 3.13Å; K26-Q30 PolarHBondContact O-N 3.18Å; R27-Q30 PolarHBondContact O-N 3.11Å |
| 31 | M | 49.8 | Very low | 54.6 | Low | 148 Ų | 148 | 91.8 Ų | 91.8 | 73% | 0.729 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -84.8 | -7.5 | 176.3 | -70.8 | 170.6 | 173.9 | 0 | 0 | 114.5 | R27 R28 K29 P33 | R27-M31 WeakPolarHBondContact O-CB 3.35Å; R27-M31 VanDerWaalsContact O-CG 3.22Å; R27-M31 WeakPolarHBondContact O-CG 3.3Å; R27-M31 PolarHBondContact O-N 3.24Å; R28-M31 PolarHBondContact O-N 2.64Å; K29-M31 VanDerWaalsContact C-N 3.28Å; K29-M31 PolarHBondContact O-N 2.65Å; M31-P33 WeakPolarHBondContact O-CD 3.49Å |
| 32 | S | 52.5 | Low | 53.7 | Low | 91 Ų | 91 | 98.7 Ų | 98.7 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | trans | -122.6 | 58.6 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | R28 K29 S34 | R28-S32 PolarHBondContact O-N 2.92Å; R28-S32 VanDerWaalsContact O-N 3.1Å; R28-S32 PolarHBondContact O-OG 3.15Å; K29-S32 PolarHBondContact O-N 2.87Å; S32-S34 PolarHBondContact O-N 3.01Å; S32-S34 VanDerWaalsContact O-N 3.07Å | ||
| 33 | P | 47.3 | Very low | 52.7 | Low | 88 Ų | 88 | 97.8 Ų | 97.8 | 57% | 0.571 | 53% | 0.528 | S | S | * | . | trans | -70.1 | 106.7 | 174.6 | 31.2 | -31.7 | 0 | 0 | 0 | 108.4 | M31 S35 | M31-P33 WeakPolarHBondContact O-CD 3.49Å; P33-S35 PolarHBondContact O-N 3.17Å | ||
| 34 | S | 42.2 | Very low | 51.7 | Low | 118 Ų | 118 | 97.1 Ų | 97.1 | 83% | 0.825 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 43.6 | 69.4 | 159.8 | 64.9 | 0 | 0 | 0 | 0 | 116.6 | S32 | S32-S34 PolarHBondContact O-N 3.01Å; S32-S34 VanDerWaalsContact O-N 3.07Å |
| 35 | S | 35.8 | Very low | 51.2 | Low | 111 Ų | 111 | 93.8 Ų | 93.8 | 78% | 0.776 | 51% | 0.505 | S | S | * | . | trans | -166.6 | 75.1 | 163.9 | 50.3 | 0 | 0 | 0 | 0 | 114.3 | P33 | P33-S35 PolarHBondContact O-N 3.17Š| ||
| 36 | S | 37.1 | Very low | 50.8 | Low | 109 Ų | 109 | 97.9 Ų | 97.9 | 76% | 0.762 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -152.8 | 102.3 | 140.8 | 38 | 0 | 0 | 0 | 0 | 109.4 | ||
| 37 | R | 34 | Very low | 50.9 | Low | 251 Ų | 251 | 97.7 Ų | 97.7 | 95% | 0.947 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -13.1 | 122.7 | 166.8 | -68.1 | 168.1 | 178.9 | 133.5 | -1 | 114.4 | H39 | R37-H39 PolarHBondContact O-N 2.95Š|
| 38 | G | 33.3 | Very low | 51.4 | Low | 81 Ų | 81 | 96 Ų | 96 | 84% | 0.835 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -5.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 39 | H | 39.1 | Very low | 52.3 | Low | 158 Ų | 158 | 93.5 Ų | 93.5 | 73% | 0.731 | 55% | 0.546 | S | S | * | . | trans | -93.5 | 108.6 | 175.7 | -95.6 | -68.8 | 0 | 0 | 0 | 112.1 | R37 A41 | R37-H39 PolarHBondContact O-N 2.95Å; H39-A41 PolarHBondContact O-N 3.33Å | ||
| 40 | V | 38 | Very low | 53.3 | Low | 105 Ų | 105 | 93.1 Ų | 93.1 | 64% | 0.636 | 54% | 0.543 | S | S | * | . | trans | -37.1 | 109.7 | 166 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | R42 P150 | V40-R42 WeakPolarHBondContact O-CG 3.42Å; V40-R42 PolarHBondContact O-N 3.48Å; V40-P150 HydrophobicContact CG1-CB 4.48Å; V40-P150 HydrophobicContact CG1-CG 3.76Å | ||
| 41 | A | 46.5 | Very low | 54.9 | Low | 55 Ų | 55 | 92.3 Ų | 92.3 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | trans | -53.4 | 132.2 | 174 | 0 | 0 | 0 | 0 | 0 | 108.9 | H39 P150 | H39-A41 PolarHBondContact O-N 3.33Å; A41-P150 VanDerWaalsContact C-CG 3.47Å; A41-P150 HydrophobicContact CB-CB 4.3Å; A41-P150 HydrophobicContact CB-CG 3.77Å; A41-P150 WeakPolarHBondContact O-CD 3.42Å; A41-P150 WeakPolarHBondContact O-CG 3.45Å | ||
| 42 | R | 54.8 | Low | 56.9 | Low | 145 Ų | 145 | 85.5 Ų | 85.5 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | trans | -105.4 | 137.5 | -177.8 | -61.7 | -173.6 | 178.1 | 164 | -3.7 | 107.1 | V40 G44 V46 | V40-R42 WeakPolarHBondContact O-CG 3.42Å; V40-R42 PolarHBondContact O-N 3.48Å; R42-G44 WeakPolarHBondContact CB-O 3.47Å; R42-G44 PolarHBondContact O-N 2.87Å; R42-V46 HydrophobicContact CB-CG2 3.82Å; R42-V46 HydrophobicContact CG-CG2 4.06Å | ||
| 43 | T | 57.5 | Low | 58.8 | Low | 13 Ų | 13 | 85 Ų | 85 | 8% | 0.08 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -62.6 | -22.5 | 170.3 | 55.4 | 0 | 0 | 0 | 0 | 111.1 | F143 W144 R149 | T43-F143 CarbonylContact O-C 3.54Å; T43-F143 WeakPolarHBondContact O-CA 3.22Å; T43-W144 VanDerWaalsContact O-CD1 3.23Å; T43-W144 PolarHBondContact O-N 3.29Å; T43-R149 HydrophobicContact CG2-CB 4.29Å; T43-R149 HydrophobicContact CG2-CG 3.29Å |
| 44 | G | 57.4 | Low | 60.8 | Low | 8 Ų | 8 | 88.6 Ų | 88.6 | 8% | 0.082 | 51% | 0.511 | C | S | . | . | B | Isolated β-bridge | trans | -86.6 | 139.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R42 V46 G142 | R42-G44 WeakPolarHBondContact CB-O 3.47Å; R42-G44 PolarHBondContact O-N 2.87Å; G44-V46 PolarHBondContact O-N 2.88Å; G44-G142 CarbonylContact C-O 3.38Å; G44-G142 WeakPolarHBondContact CA-O 3.23Å |
| 45 | R | 65.4 | Low | 63.2 | Low | 17 Ų | 17 | 83 Ų | 83 | 6% | 0.064 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 118.6 | 172.3 | -164.1 | 168.4 | 171.9 | -167.6 | 0.2 | 110 | Y50 V112 S115 G142 | R45-Y50 HydrophobicContact CG-CD2 3.75Å; R45-Y50 HydrophobicContact CG-CG 3.89Å; R45-V112 HydrophobicContact CB-CG1 4.3Å; R45-V112 WeakPolarHBondContact CD-O 3.3Å; R45-V112 PolarHBondContact NH1-O 3.07Å; R45-S115 PolarHBondContact NH1-OG 3.09Å; R45-G142 PolarHBondContact N-O 3.36Å |
| 46 | V | 62.3 | Low | 66 | Low | 87 Ų | 87 | 82.7 Ų | 82.7 | 53% | 0.527 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 125.1 | -174.6 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | R42 G44 Y50 | R42-V46 HydrophobicContact CB-CG2 3.82Å; R42-V46 HydrophobicContact CG-CG2 4.06Å; G44-V46 PolarHBondContact O-N 2.88Å; V46-Y50 VanDerWaalsContact O-CD2 3.23Å; V46-Y50 WeakPolarHBondContact O-CD2 3.46Å; V46-Y50 WeakPolarHBondContact O-CE2 3.03Å |
| 47 | G | 68.9 | Low | 68.9 | Low | 29 Ų | 29 | 77.5 Ų | 77.5 | 30% | 0.299 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 124.5 | 125.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | T49 Y50 | G47-T49 PolarHBondContact O-N 3.37Å; G47-Y50 PolarHBondContact O-N 2.95Å; G47-Y50 VanDerWaalsContact O-N 3.11Å |
| 48 | S | 74.6 | Confident | 72 | Confident | 98 Ų | 98 | 65.8 Ų | 65.8 | 69% | 0.685 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -59.8 | -30.1 | 180 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | Y50 R51 | S48-Y50 PolarHBondContact O-N 3.37Å; S48-R51 WeakPolarHBondContact O-CB 3.3Å; S48-R51 PolarHBondContact O-N 3.36Å |
| 49 | T | 81.3 | Confident | 75.1 | Confident | 85 Ų | 85 | 63.2 Ų | 63.2 | 52% | 0.521 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -63.4 | -21.4 | 177.4 | 54.5 | 0 | 0 | 0 | 0 | 113.6 | G47 R114 | G47-T49 PolarHBondContact O-N 3.37Å; T49-R114 PolarHBondContact O-NE 2.94Å; T49-R114 PolarHBondContact O-NH2 3.3Å |
| 50 | Y | 85.8 | Confident | 77.9 | Confident | 50 Ų | 50 | 60 Ų | 60 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -97.6 | 2.4 | 176.1 | -45.1 | -62.1 | 0 | 0 | 0 | 113.5 | R28 R45 V46 G47 S48 G113 R114 | R28-Y50 PolarHBondContact NH1-OH 3.26Å; R45-Y50 HydrophobicContact CG-CD2 3.75Å; R45-Y50 HydrophobicContact CG-CG 3.89Å; V46-Y50 VanDerWaalsContact O-CD2 3.23Å; V46-Y50 WeakPolarHBondContact O-CD2 3.46Å; V46-Y50 WeakPolarHBondContact O-CE2 3.03Å; G47-Y50 PolarHBondContact O-N 2.95Å; G47-Y50 VanDerWaalsContact O-N 3.11Å; S48-Y50 PolarHBondContact O-N 3.37Å; Y50-G113 CarbonylContact O-C 3.59Å; Y50-R114 PolarHBondContact O-N 3.04Å |
| 51 | R | 88.5 | Confident | 80.7 | Confident | 91 Ų | 91 | 56.8 Ų | 56.8 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -90.9 | 152 | 172.6 | -62.7 | -178.4 | -176.4 | 172 | -4.1 | 109.2 | S48 R114 M185 Y186 | S48-R51 WeakPolarHBondContact O-CB 3.3Å; S48-R51 PolarHBondContact O-N 3.36Å; R51-R114 PolarHBondContact O-NE 3.26Å; R51-R114 VanDerWaalsContact O-NE 3.15Å; R51-M185 PolarHBondContact NH1-O 3.39Å; R51-Y186 HydrophobicContact CB-CE1 4.26Å |
| 52 | W | 93.5 | Very high | 83.1 | Confident | 6 Ų | 6 | 56 Ų | 56 | 2% | 0.023 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 125.9 | 167.6 | -65.7 | 96.6 | 0 | 0 | 0 | 108.9 | N54 G55 I57 D96 L98 R114 S140 Y186 | W52-N54 PolarHBondContact O-N 3.13Å; W52-G55 PolarHBondContact O-N 3.1Å; W52-G55 VanDerWaalsContact O-N 3.1Å; W52-I57 HydrophobicContact CB-CG1 3.87Å; W52-I57 HydrophobicContact CD2-CB 4.29Å; W52-I57 HydrophobicContact CD2-CG1 3.99Å; W52-I57 HydrophobicContact CD2-CG2 3.96Å; W52-I57 HydrophobicContact CE3-CG2 4.28Å; W52-I57 HydrophobicContact CG-CB 4.39Å; W52-I57 HydrophobicContact CG-CD1 4.02Å; W52-I57 HydrophobicContact CG-CG1 3.59Å; W52-I57 HydrophobicContact CG-CG2 4.43Å; W52-I57 HydrophobicContact CH2-CG2 4.38Å; W52-I57 HydrophobicContact CZ2-CG2 4.07Å; W52-I57 HydrophobicContact CZ3-CG2 4.47Å; W52-D96 HydrophobicContact CZ3-CB 3.98Å; W52-L98 HydrophobicContact CH2-CD2 4.34Å; W52-L98 HydrophobicContact CH2-CG 4.38Å; W52-L98 HydrophobicContact CZ2-CD2 3.83Å; W52-L98 HydrophobicContact CZ2-CG 4.1Å; W52-R114 HydrophobicContact CD2-CB 3.82Å; W52-R114 HydrophobicContact CD2-CG 4.01Å; W52-R114 HydrophobicContact CE3-CB 4.27Å; W52-R114 HydrophobicContact CE3-CG 3.92Å; W52-R114 HydrophobicContact CG-CB 4.13Å; W52-R114 HydrophobicContact CH2-CG 4.11Å; W52-R114 HydrophobicContact CZ2-CB 4.17Å; W52-R114 HydrophobicContact CZ2-CG 4.2Å; W52-R114 HydrophobicContact CZ3-CG 3.98Å; W52-S140 PolarHBondContact NE1-O 3.36Å; W52-Y186 HydrophobicContact CB-CE1 4.42Å; W52-Y186 PolarHBondContact N-OH 3.26Å; W52-Y186 WeakPolarHBondContact O-CE1 3.31Å |
| 53 | P | 91 | Very high | 85.1 | Confident | 80 Ų | 80 | 54.4 Ų | 54.4 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -52.7 | 129.3 | 178.2 | -27.2 | 35.2 | 0 | 0 | 0 | 111.1 | G55 R56 | P53-G55 PolarHBondContact O-N 3.26Å; P53-R56 PolarHBondContact O-N 3.33Å |
| 54 | N | 89.7 | Confident | 86.9 | Confident | 163 Ų | 163 | 56.6 Ų | 56.6 | 87% | 0.872 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | 55.6 | 22.6 | 179.8 | -52.3 | -30.7 | 0 | 0 | 0 | 115 | W52 R56 | W52-N54 PolarHBondContact O-N 3.13Å; N54-R56 PolarHBondContact O-N 3.14Å; N54-R56 VanDerWaalsContact O-N 3.13Å |
| 55 | G | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | 65.9 | 11.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | W52 P53 I86 R87 | W52-G55 PolarHBondContact O-N 3.1Å; W52-G55 VanDerWaalsContact O-N 3.1Å; P53-G55 PolarHBondContact O-N 3.26Å; G55-I86 WeakPolarHBondContact O-CA 3.48Å; G55-R87 PolarHBondContact O-N 3.33Å |
| 56 | R | 95.8 | Very high | 90.3 | Very high | 105 Ų | 105 | 58.5 Ų | 58.5 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 117 | 179.3 | -173.6 | 177.3 | -179.9 | -77.8 | -4 | 109.5 | P53 N54 P58 R87 V89 E94 | P53-R56 PolarHBondContact O-N 3.33Å; N54-R56 PolarHBondContact O-N 3.14Å; N54-R56 VanDerWaalsContact O-N 3.13Å; R56-P58 WeakPolarHBondContact O-CD 3.3Å; R56-R87 WeakPolarHBondContact CA-O 3.22Å; R56-V89 HydrophobicContact CG-CG1 4.26Å; R56-V89 HydrophobicContact CG-CG2 3.66Å; R56-V89 VanDerWaalsContact CZ-CG2 3.45Å; R56-E94 IonicContact CZ-OE1 2.79Å; R56-E94 IonicContact NH1-OE1 2.68Å; R56-E94 PolarHBondContact NH1-OE1 3.07Å; R56-E94 IonicContact NH2-OE1 2.91Å; R56-E94 PolarHBondContact NH2-OE1 3.11Å |
| 57 | I | 97.4 | Very high | 92 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 96.6 | -176.2 | -49.7 | -172.4 | 0 | 0 | 0 | 108.8 | W52 I86 R87 F88 V89 L98 V141 | W52-I57 HydrophobicContact CB-CG1 3.87Å; W52-I57 HydrophobicContact CD2-CB 4.29Å; W52-I57 HydrophobicContact CD2-CG1 3.99Å; W52-I57 HydrophobicContact CD2-CG2 3.96Å; W52-I57 HydrophobicContact CE3-CG2 4.28Å; W52-I57 HydrophobicContact CG-CB 4.39Å; W52-I57 HydrophobicContact CG-CD1 4.02Å; W52-I57 HydrophobicContact CG-CG1 3.59Å; W52-I57 HydrophobicContact CG-CG2 4.43Å; W52-I57 HydrophobicContact CH2-CG2 4.38Å; W52-I57 HydrophobicContact CZ2-CG2 4.07Å; W52-I57 HydrophobicContact CZ3-CG2 4.47Å; I57-I86 HydrophobicContact CD1-CG2 3.8Å; I57-I86 HydrophobicContact CG1-CG2 4.3Å; I57-R87 PolarHBondContact N-O 2.89Å; I57-F88 HydrophobicContact CB-CD1 3.86Å; I57-F88 HydrophobicContact CB-CE1 4Å; I57-F88 HydrophobicContact CD1-CD1 4.44Å; I57-F88 HydrophobicContact CD1-CE1 3.77Å; I57-F88 HydrophobicContact CD1-CZ 4.04Å; I57-F88 HydrophobicContact CG1-CE1 4.39Å; I57-F88 HydrophobicContact CG2-CD1 3.96Å; I57-F88 HydrophobicContact CG2-CE1 3.9Å; I57-F88 WeakPolarHBondContact O-CA 3.33Å; I57-V89 PolarHBondContact O-N 3.04Å; I57-L98 HydrophobicContact CG2-CD1 3.51Å; I57-L98 HydrophobicContact CG2-CG 3.8Å; I57-V141 HydrophobicContact CD1-CG2 3.68Å |
| 58 | P | 98.2 | Very high | 93.3 | Very high | 6 Ų | 6 | 67.8 Ų | 67.8 | 4% | 0.039 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 136.2 | 173.1 | -19.7 | 32.7 | 0 | 0 | 0 | 110.5 | R56 V89 R91 E94 Y97 L98 | R56-P58 WeakPolarHBondContact O-CD 3.3Å; P58-V89 CarbonylContact C-O 3.54Å; P58-V89 VanDerWaalsContact CA-O 3.25Å; P58-V89 WeakPolarHBondContact CA-O 3.1Å; P58-V89 HydrophobicContact CB-CG2 4.4Å; P58-V89 HydrophobicContact CG-CG2 4.38Å; P58-R91 HydrophobicContact CB-CB 4.13Å; P58-R91 HydrophobicContact CB-CG 4.24Å; P58-E94 HydrophobicContact CB-CB 3.99Å; P58-E94 HydrophobicContact CB-CG 4.01Å; P58-E94 HydrophobicContact CG-CB 3.75Å; P58-E94 HydrophobicContact CG-CG 3.57Å; P58-Y97 CarbonylContact O-C 3.55Å; P58-Y97 VanDerWaalsContact O-CA 3.27Å; P58-Y97 WeakPolarHBondContact O-CA 3.49Å; P58-Y97 WeakPolarHBondContact O-CB 3.38Å; P58-L98 PolarHBondContact O-N 2.77Å |
| 59 | Y | 98.5 | Very high | 94.3 | Very high | 27 Ų | 27 | 64.6 Ų | 64.6 | 11% | 0.106 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 149.6 | 175.4 | 77.4 | -85.8 | 0 | 0 | 0 | 112.8 | L61 M77 F88 V89 R91 L98 I100 | Y59-L61 HydrophobicContact CD2-CB 4.15Å; Y59-L61 HydrophobicContact CE2-CB 4.01Å; Y59-M77 HydrophobicContact CD1-CE 4.09Å; Y59-M77 HydrophobicContact CD1-SD 4.3Å; Y59-M77 HydrophobicContact CD2-CE 3.95Å; Y59-M77 HydrophobicContact CE1-CE 4.22Å; Y59-M77 HydrophobicContact CE1-SD 3.9Å; Y59-M77 HydrophobicContact CE2-CE 4.08Å; Y59-M77 HydrophobicContact CE2-SD 4.31Å; Y59-M77 HydrophobicContact CG-CE 3.97Å; Y59-F88 HydrophobicContact CD1-CB 4Å; Y59-F88 HydrophobicContact CE1-CB 4.13Å; Y59-V89 VanDerWaalsContact CD1-C 3.45Å; Y59-V89 WeakPolarHBondContact CD1-O 3.23Å; Y59-V89 VanDerWaalsContact CE1-C 3.43Å; Y59-V89 PolarHBondContact N-O 3.32Å; Y59-R91 WeakPolarHBondContact O-CB 3.04Å; Y59-R91 PolarHBondContact O-N 3.44Å; Y59-L98 CarbonylContact C-O 3.48Å; Y59-L98 VanDerWaalsContact CA-O 3.23Å; Y59-L98 WeakPolarHBondContact CA-O 3.49Å; Y59-I100 HydrophobicContact CD2-CD1 4.11Å; Y59-I100 HydrophobicContact CG-CD1 4.25Å |
| 60 | Q | 98.1 | Very high | 95.1 | Very high | 89 Ų | 89 | 64.3 Ų | 64.3 | 42% | 0.416 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.2 | 167.7 | -178.8 | 176 | -20.3 | 0 | 0 | 108.1 | Y97 L98 I100 | Q60-Y97 HydrophobicContact CB-CD2 4.25Å; Q60-Y97 HydrophobicContact CB-CE2 4.31Å; Q60-L98 PolarHBondContact N-O 2.9Å; Q60-I100 PolarHBondContact O-N 3.27Å |
| 61 | L | 97.9 | Very high | 95.7 | Very high | 38 Ų | 38 | 63.9 Ų | 63.9 | 20% | 0.199 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.7 | -178.8 | -171.3 | 66.4 | 0 | 0 | 0 | 110.3 | Y59 Y65 R70 I73 I100 | Y59-L61 HydrophobicContact CD2-CB 4.15Å; Y59-L61 HydrophobicContact CE2-CB 4.01Å; L61-Y65 HydrophobicContact CD1-CD2 3.57Å; L61-Y65 HydrophobicContact CD1-CE2 3.46Å; L61-Y65 VanDerWaalsContact CD1-CE2 3.46Å; L61-Y65 HydrophobicContact CG-CD2 3.81Å; L61-Y65 HydrophobicContact CG-CE2 4.16Å; L61-R70 HydrophobicContact CD2-CG 4.04Å; L61-I73 HydrophobicContact CD1-CD1 3.87Å; L61-I73 HydrophobicContact CD1-CG2 4.35Å; L61-I100 HydrophobicContact CD1-CB 3.84Å; L61-I100 HydrophobicContact CD1-CG2 3.59Å |
| 62 | S | 96.7 | Very high | 96 | Very high | 38 Ų | 38 | 61.5 Ų | 61.5 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | trans | -54.4 | 144.7 | 177.9 | -177.9 | 0 | 0 | 0 | 0 | 112.4 | S64 Y65 R70 I100 | S62-S64 WeakPolarHBondContact CB-OG 3.4Å; S62-S64 PolarHBondContact O-N 2.93Å; S62-S64 WeakPolarHBondContact OG-CB 3.48Å; S62-S64 PolarHBondContact OG-N 3.17Å; S62-S64 PolarHBondContact OG-OG 2.71Å; S62-Y65 WeakPolarHBondContact O-CD2 3.33Å; S62-R70 PolarHBondContact O-NH2 2.04Å; S62-I100 WeakPolarHBondContact CB-O 3.25Å; S62-I100 PolarHBondContact N-O 2.86Å | ||
| 63 | S | 96.4 | Very high | 96.2 | Very high | 112 Ų | 112 | 61.3 Ų | 61.3 | 78% | 0.783 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.4 | 171.2 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | Y65 | S63-Y65 PolarHBondContact O-N 3.18Å; S63-Y65 VanDerWaalsContact O-N 3.17Å |
| 64 | S | 95.6 | Very high | 96.5 | Very high | 60 Ų | 60 | 58.3 Ų | 58.3 | 42% | 0.42 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -8.1 | -176.2 | 64.6 | 0 | 0 | 0 | 0 | 115.9 | S62 | S62-S64 WeakPolarHBondContact CB-OG 3.4Å; S62-S64 PolarHBondContact O-N 2.93Å; S62-S64 WeakPolarHBondContact OG-CB 3.48Å; S62-S64 PolarHBondContact OG-N 3.17Å; S62-S64 PolarHBondContact OG-OG 2.71Å |
| 65 | Y | 97 | Very high | 96.7 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -85.2 | 131.2 | 177.9 | -65.5 | -68.2 | 0 | 0 | 0 | 111.9 | L61 S62 S63 E69 R70 I73 I100 G101 K102 L123 V128 | L61-Y65 HydrophobicContact CD1-CD2 3.57Å; L61-Y65 HydrophobicContact CD1-CE2 3.46Å; L61-Y65 VanDerWaalsContact CD1-CE2 3.46Å; L61-Y65 HydrophobicContact CG-CD2 3.81Å; L61-Y65 HydrophobicContact CG-CE2 4.16Å; S62-Y65 WeakPolarHBondContact O-CD2 3.33Å; S63-Y65 PolarHBondContact O-N 3.18Å; S63-Y65 VanDerWaalsContact O-N 3.17Å; Y65-E69 WeakPolarHBondContact CA-OE2 3.33Å; Y65-E69 HydrophobicContact CD1-CB 3.97Å; Y65-E69 HydrophobicContact CG-CB 4.44Å; Y65-R70 PolarHBondContact O-NE 3.46Å; Y65-I73 HydrophobicContact CD1-CD1 4.15Å; Y65-I73 HydrophobicContact CD2-CD1 4.31Å; Y65-I73 HydrophobicContact CE1-CD1 4.04Å; Y65-I73 HydrophobicContact CE2-CD1 4.21Å; Y65-I73 HydrophobicContact CG-CD1 4.28Å; Y65-I100 HydrophobicContact CE2-CG2 4.23Å; Y65-G101 WeakPolarHBondContact OH-CA 3.49Å; Y65-G101 PolarHBondContact OH-N 3.41Å; Y65-G101 PolarHBondContact OH-O 3.28Å; Y65-G101 VanDerWaalsContact OH-O 3.07Å; Y65-K102 HydrophobicContact CD1-CG 4.47Å; Y65-K102 HydrophobicContact CE1-CD 4.4Å; Y65-K102 HydrophobicContact CE1-CG 3.84Å; Y65-L123 HydrophobicContact CE1-CB 4.43Å; Y65-L123 VanDerWaalsContact CE1-O 3.28Å; Y65-L123 WeakPolarHBondContact CE1-O 3.37Å; Y65-L123 WeakPolarHBondContact OH-CB 3.4Å; Y65-L123 PolarHBondContact OH-O 2.7Å; Y65-V128 HydrophobicContact CD1-CG2 4.16Å; Y65-V128 HydrophobicContact CE1-CG2 3.78Å |
| 66 | S | 96.8 | Very high | 96.8 | Very high | 58 Ų | 58 | 58.6 Ų | 58.6 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | trans | -62.5 | 162.1 | 169 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | R68 E69 R70 | S66-R68 PolarHBondContact O-N 3.17Å; S66-E69 WeakPolarHBondContact CB-OE2 3.35Å; S66-E69 PolarHBondContact N-OE2 3.24Å; S66-E69 PolarHBondContact O-N 3.1Å; S66-E69 VanDerWaalsContact O-N 3.13Å; S66-E69 VanDerWaalsContact OG-CG 3.27Å; S66-E69 WeakPolarHBondContact OG-CG 3.27Å; S66-E69 PolarHBondContact OG-N 3.33Å; S66-E69 PolarHBondContact OG-OE2 3.46Å; S66-R70 WeakPolarHBondContact O-CG 3.29Å; S66-R70 PolarHBondContact O-N 2.98Å | ||
| 67 | S | 97.1 | Very high | 96.9 | Very high | 106 Ų | 106 | 53.9 Ų | 53.9 | 74% | 0.741 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -56.4 | -35.9 | 176.1 | -52.9 | 0 | 0 | 0 | 0 | 112.6 | A71 | S67-A71 WeakPolarHBondContact O-CB 3.08Å; S67-A71 PolarHBondContact O-N 2.94Å |
| 68 | R | 96.5 | Very high | 96.8 | Very high | 204 Ų | 204 | 56.9 Ų | 56.9 | 77% | 0.77 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.1 | -45.5 | 176.6 | -177 | 176.9 | -179.2 | 164.5 | 0.9 | 111.9 | S66 A71 I72 | S66-R68 PolarHBondContact O-N 3.17Å; R68-A71 PolarHBondContact O-N 3.46Å; R68-I72 HydrophobicContact CG-CD1 4.41Å; R68-I72 WeakPolarHBondContact O-CG1 3.09Å; R68-I72 PolarHBondContact O-N 2.67Å; R68-I72 VanDerWaalsContact O-N 3.13Å |
| 69 | E | 97 | Very high | 96.4 | Very high | 32 Ų | 32 | 56.8 Ų | 56.8 | 15% | 0.15 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 178.2 | -74.1 | 169.6 | 128.2 | 0 | 0 | 111.6 | Y65 S66 A71 I72 I73 K102 V128 | Y65-E69 WeakPolarHBondContact CA-OE2 3.33Å; Y65-E69 HydrophobicContact CD1-CB 3.97Å; Y65-E69 HydrophobicContact CG-CB 4.44Å; S66-E69 WeakPolarHBondContact CB-OE2 3.35Å; S66-E69 PolarHBondContact N-OE2 3.24Å; S66-E69 PolarHBondContact O-N 3.1Å; S66-E69 VanDerWaalsContact O-N 3.13Å; S66-E69 VanDerWaalsContact OG-CG 3.27Å; S66-E69 WeakPolarHBondContact OG-CG 3.27Å; S66-E69 PolarHBondContact OG-N 3.33Å; S66-E69 PolarHBondContact OG-OE2 3.46Å; E69-A71 VanDerWaalsContact C-N 3.31Å; E69-A71 PolarHBondContact O-N 3.06Å; E69-I72 PolarHBondContact O-N 3.14Å; E69-I72 VanDerWaalsContact O-N 3.15Å; E69-I73 WeakPolarHBondContact O-CG1 3.42Å; E69-I73 PolarHBondContact O-N 3.4Å; E69-K102 VanDerWaalsContact OE1-CE 3.29Å; E69-K102 WeakPolarHBondContact OE1-CE 3.47Å; E69-K102 IonicContact OE1-NZ 3.86Å; E69-K102 PolarHBondContact OE1-NZ 3Å; E69-K102 IonicContact OE2-NZ 2.72Å; E69-K102 PolarHBondContact OE2-NZ 3.47Å; E69-V128 HydrophobicContact CB-CB 4.35Å; E69-V128 HydrophobicContact CB-CG1 3.73Å; E69-V128 HydrophobicContact CB-CG2 4.42Å; E69-V128 HydrophobicContact CG-CB 3.99Å; E69-V128 HydrophobicContact CG-CG1 3.88Å; E69-V128 HydrophobicContact CG-CG2 4.15Å |
| 70 | R | 97.8 | Very high | 96.1 | Very high | 79 Ų | 79 | 55.5 Ų | 55.5 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.8 | -43.8 | 174 | -70.2 | 173.1 | 176.3 | -89 | -7.3 | 111.9 | L61 S62 Y65 S66 I72 I73 A74 | L61-R70 HydrophobicContact CD2-CG 4.04Å; S62-R70 PolarHBondContact O-NH2 2.04Å; Y65-R70 PolarHBondContact O-NE 3.46Å; S66-R70 WeakPolarHBondContact O-CG 3.29Å; S66-R70 PolarHBondContact O-N 2.98Å; R70-I72 VanDerWaalsContact C-N 3.35Å; R70-I72 PolarHBondContact O-N 3.49Å; R70-I73 PolarHBondContact O-N 3.31Å; R70-A74 VanDerWaalsContact O-CB 3.3Å; R70-A74 WeakPolarHBondContact O-CB 3.32Å; R70-A74 PolarHBondContact O-N 2.52Å |
| 71 | A | 97.4 | Very high | 95.9 | Very high | 40 Ų | 40 | 53.3 Ų | 53.3 | 33% | 0.331 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S67 R68 E69 R75 | S67-A71 WeakPolarHBondContact O-CB 3.08Å; S67-A71 PolarHBondContact O-N 2.94Å; R68-A71 PolarHBondContact O-N 3.46Å; E69-A71 VanDerWaalsContact C-N 3.31Å; E69-A71 PolarHBondContact O-N 3.06Å; A71-R75 VanDerWaalsContact O-CB 3.27Å; A71-R75 WeakPolarHBondContact O-CB 3.22Å; A71-R75 PolarHBondContact O-N 3.25Å |
| 72 | I | 95.6 | Very high | 95.5 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 175.8 | -66.9 | 167.2 | 0 | 0 | 0 | 110.9 | R68 E69 R70 R75 A76 V128 V133 | R68-I72 HydrophobicContact CG-CD1 4.41Å; R68-I72 WeakPolarHBondContact O-CG1 3.09Å; R68-I72 PolarHBondContact O-N 2.67Å; R68-I72 VanDerWaalsContact O-N 3.13Å; E69-I72 PolarHBondContact O-N 3.14Å; E69-I72 VanDerWaalsContact O-N 3.15Å; R70-I72 VanDerWaalsContact C-N 3.35Å; R70-I72 PolarHBondContact O-N 3.49Å; I72-R75 PolarHBondContact O-N 3.08Å; I72-A76 PolarHBondContact O-N 2.65Å; I72-V128 HydrophobicContact CB-CG1 4.07Å; I72-V128 WeakPolarHBondContact CD1-O 3.37Å; I72-V128 HydrophobicContact CG2-CG1 4.07Å; I72-V133 HydrophobicContact CG2-CG2 4.3Å |
| 73 | I | 97.3 | Very high | 95 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.2 | -46 | 178 | -65.4 | 169.1 | 0 | 0 | 0 | 110.6 | L61 Y65 E69 R70 R75 A76 M77 L123 V128 V133 | L61-I73 HydrophobicContact CD1-CD1 3.87Å; L61-I73 HydrophobicContact CD1-CG2 4.35Å; Y65-I73 HydrophobicContact CD1-CD1 4.15Å; Y65-I73 HydrophobicContact CD2-CD1 4.31Å; Y65-I73 HydrophobicContact CE1-CD1 4.04Å; Y65-I73 HydrophobicContact CE2-CD1 4.21Å; Y65-I73 HydrophobicContact CG-CD1 4.28Å; E69-I73 WeakPolarHBondContact O-CG1 3.42Å; E69-I73 PolarHBondContact O-N 3.4Å; R70-I73 PolarHBondContact O-N 3.31Å; I73-R75 VanDerWaalsContact C-N 3.34Å; I73-R75 PolarHBondContact O-N 2.77Å; I73-A76 PolarHBondContact O-N 3.14Å; I73-M77 HydrophobicContact CG2-CE 3.78Å; I73-M77 HydrophobicContact CG2-SD 4.26Å; I73-M77 WeakPolarHBondContact O-CG 3.45Å; I73-M77 PolarHBondContact O-N 2.81Å; I73-L123 HydrophobicContact CD1-CD1 4.04Å; I73-L123 HydrophobicContact CG1-CD1 4.07Å; I73-V128 HydrophobicContact CD1-CG1 4.17Å; I73-V128 HydrophobicContact CG1-CG1 3.91Å; I73-V133 HydrophobicContact CG1-CG1 4.34Å; I73-V133 HydrophobicContact CG1-CG2 4.28Å; I73-V133 HydrophobicContact CG2-CG1 4.48Å |
| 74 | A | 96.8 | Very high | 94.7 | Very high | 16 Ų | 16 | 53.6 Ų | 53.6 | 13% | 0.132 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R70 A76 M77 Q78 V207 | R70-A74 VanDerWaalsContact O-CB 3.3Å; R70-A74 WeakPolarHBondContact O-CB 3.32Å; R70-A74 PolarHBondContact O-N 2.52Å; A74-A76 VanDerWaalsContact C-N 3.32Å; A74-A76 PolarHBondContact O-N 3.12Å; A74-M77 PolarHBondContact O-N 2.82Å; A74-Q78 WeakPolarHBondContact O-CB 3.21Å; A74-Q78 PolarHBondContact O-N 2.7Å; A74-V207 HydrophobicContact CB-CG1 4.13Å |
| 75 | R | 95.7 | Very high | 94.5 | Very high | 169 Ų | 169 | 52.1 Ų | 52.1 | 64% | 0.638 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.6 | -41.5 | 175.2 | -176.4 | -175 | 172.7 | -178.5 | -0.4 | 112.1 | A71 I72 I73 Q78 S79 Y130 | A71-R75 VanDerWaalsContact O-CB 3.27Å; A71-R75 WeakPolarHBondContact O-CB 3.22Å; A71-R75 PolarHBondContact O-N 3.25Å; I72-R75 PolarHBondContact O-N 3.08Å; I73-R75 VanDerWaalsContact C-N 3.34Å; I73-R75 PolarHBondContact O-N 2.77Å; R75-Q78 PolarHBondContact O-N 2.89Å; R75-S79 PolarHBondContact O-N 3.33Å; R75-S79 VanDerWaalsContact O-N 3.1Å; R75-Y130 HydrophobicContact CB-CD2 4.43Å; R75-Y130 HydrophobicContact CG-CD2 3.94Å; R75-Y130 HydrophobicContact CG-CE2 3.88Å |
| 76 | A | 94 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I72 I73 A74 S79 Y80 Y130 V133 I134 L137 | I72-A76 PolarHBondContact O-N 2.65Å; I73-A76 PolarHBondContact O-N 3.14Å; A74-A76 VanDerWaalsContact C-N 3.32Å; A74-A76 PolarHBondContact O-N 3.12Å; A76-S79 WeakPolarHBondContact O-CB 3.45Å; A76-S79 PolarHBondContact O-N 3.16Å; A76-Y80 WeakPolarHBondContact O-CD2 3.16Å; A76-Y130 HydrophobicContact CB-CD2 4.16Å; A76-Y130 HydrophobicContact CB-CE2 4.27Å; A76-V133 HydrophobicContact CB-CB 3.77Å; A76-V133 HydrophobicContact CB-CG1 3.49Å; A76-V133 VanDerWaalsContact CB-CG1 3.49Å; A76-I134 HydrophobicContact CB-CD1 3.8Å; A76-I134 HydrophobicContact CB-CG1 4.01Å; A76-I134 VanDerWaalsContact O-CD1 3.22Å; A76-I134 WeakPolarHBondContact O-CD1 3.48Å; A76-L137 HydrophobicContact CB-CD1 4.28Å |
| 77 | M | 97 | Very high | 94.4 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 174.2 | -69 | 176.6 | 175.2 | 0 | 0 | 112.1 | Y59 I73 A74 S79 Y80 H81 F88 I100 L137 | Y59-M77 HydrophobicContact CD1-CE 4.09Å; Y59-M77 HydrophobicContact CD1-SD 4.3Å; Y59-M77 HydrophobicContact CD2-CE 3.95Å; Y59-M77 HydrophobicContact CE1-CE 4.22Å; Y59-M77 HydrophobicContact CE1-SD 3.9Å; Y59-M77 HydrophobicContact CE2-CE 4.08Å; Y59-M77 HydrophobicContact CE2-SD 4.31Å; Y59-M77 HydrophobicContact CG-CE 3.97Å; I73-M77 HydrophobicContact CG2-CE 3.78Å; I73-M77 HydrophobicContact CG2-SD 4.26Å; I73-M77 WeakPolarHBondContact O-CG 3.45Å; I73-M77 PolarHBondContact O-N 2.81Å; A74-M77 PolarHBondContact O-N 2.82Å; M77-S79 VanDerWaalsContact C-N 3.29Å; M77-S79 PolarHBondContact O-N 3.05Å; M77-Y80 WeakPolarHBondContact O-CB 3.22Å; M77-Y80 PolarHBondContact O-N 3.15Å; M77-Y80 VanDerWaalsContact O-N 3.1Å; M77-H81 PolarHBondContact O-CD2 2.81Å; M77-H81 PolarHBondContact O-N 2.79Å; M77-H81 VanDerWaalsContact O-N 3.15Å; M77-F88 HydrophobicContact CB-CB 4.19Å; M77-F88 HydrophobicContact CB-CD2 3.91Å; M77-F88 HydrophobicContact CB-CG 4.28Å; M77-F88 HydrophobicContact CE-CB 4.35Å; M77-F88 HydrophobicContact CE-CD1 4.4Å; M77-F88 HydrophobicContact CE-CG 4.38Å; M77-F88 HydrophobicContact CG-CB 3.93Å; M77-F88 HydrophobicContact CG-CD2 3.78Å; M77-F88 HydrophobicContact CG-CE2 4.5Å; M77-F88 HydrophobicContact CG-CG 3.82Å; M77-F88 HydrophobicContact SD-CB 3.8Å; M77-F88 HydrophobicContact SD-CG 4.2Å; M77-I100 HydrophobicContact CE-CD1 3.42Å; M77-I100 VanDerWaalsContact CE-CD1 3.42Å; M77-L137 HydrophobicContact CE-CD2 4.39Å; M77-L137 HydrophobicContact CG-CD1 3.94Å |
| 78 | Q | 95 | Very high | 94.4 | Very high | 64 Ų | 64 | 47.8 Ų | 47.8 | 30% | 0.299 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.9 | -40.6 | 177.2 | -171.6 | 63.8 | 48.1 | 0 | 0 | 111.5 | A74 R75 Y80 H81 D82 | A74-Q78 WeakPolarHBondContact O-CB 3.21Å; A74-Q78 PolarHBondContact O-N 2.7Å; R75-Q78 PolarHBondContact O-N 2.89Å; Q78-Y80 PolarHBondContact O-N 2.61Å; Q78-H81 WeakPolarHBondContact O-CA 3.43Å; Q78-H81 WeakPolarHBondContact O-CB 3.29Å; Q78-H81 PolarHBondContact O-N 2.67Å; Q78-D82 PolarHBondContact NE2-OD1 3.21Å; Q78-D82 PolarHBondContact O-N 3.37Å |
| 79 | S | 89.6 | Confident | 94.5 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.1 | -36.6 | 175 | 180 | 0 | 0 | 0 | 0 | 113.4 | R75 A76 M77 R83 Y130 D173 F174 | R75-S79 PolarHBondContact O-N 3.33Å; R75-S79 VanDerWaalsContact O-N 3.1Å; A76-S79 WeakPolarHBondContact O-CB 3.45Å; A76-S79 PolarHBondContact O-N 3.16Å; M77-S79 VanDerWaalsContact C-N 3.29Å; M77-S79 PolarHBondContact O-N 3.05Å; S79-R83 PolarHBondContact OG-NH1 3.13Å; S79-Y130 WeakPolarHBondContact CB-OH 3.12Å; S79-Y130 PolarHBondContact OG-OH 3.44Å; S79-D173 PolarHBondContact OG-OD1 3.47Å; S79-F174 VanDerWaalsContact OG-CE2 3.23Å; S79-F174 WeakPolarHBondContact OG-CE2 3.46Å |
| 80 | Y | 92.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.8 | -43.5 | 170.6 | -80.2 | -90.9 | 0 | 0 | 0 | 111.9 | A76 M77 Q78 D82 R83 T84 I86 F88 I134 L137 M138 V141 F174 I182 | A76-Y80 WeakPolarHBondContact O-CD2 3.16Å; M77-Y80 WeakPolarHBondContact O-CB 3.22Å; M77-Y80 PolarHBondContact O-N 3.15Å; M77-Y80 VanDerWaalsContact O-N 3.1Å; Q78-Y80 PolarHBondContact O-N 2.61Å; Y80-D82 VanDerWaalsContact C-N 3.28Å; Y80-D82 PolarHBondContact O-N 3.47Å; Y80-R83 PolarHBondContact O-N 3.1Å; Y80-T84 WeakPolarHBondContact O-CB 3.02Å; Y80-T84 PolarHBondContact O-N 3.26Å; Y80-T84 PolarHBondContact O-OG1 2.71Å; Y80-I86 HydrophobicContact CD1-CB 4.22Å; Y80-I86 HydrophobicContact CD1-CG1 4.46Å; Y80-I86 HydrophobicContact CD1-CG2 4.22Å; Y80-F88 HydrophobicContact CD1-CE2 4.17Å; Y80-F88 HydrophobicContact CD2-CD2 4.46Å; Y80-F88 AromaticContact CD2-CE2 3.57Å; Y80-F88 HydrophobicContact CD2-CE2 3.57Å; Y80-F88 HydrophobicContact CD2-CZ 4.34Å; Y80-F88 HydrophobicContact CE2-CE2 4.12Å; Y80-F88 HydrophobicContact CE2-CZ 4.47Å; Y80-F88 HydrophobicContact CG-CD2 4.46Å; Y80-F88 AromaticContact CG-CE2 3.61Å; Y80-F88 HydrophobicContact CG-CE2 3.61Å; Y80-F88 HydrophobicContact CG-CZ 4.49Å; Y80-I134 HydrophobicContact CD2-CD1 4.07Å; Y80-I134 HydrophobicContact CE2-CD1 3.79Å; Y80-I134 HydrophobicContact CE2-CG2 4.48Å; Y80-I134 PolarHBondContact OH-O 2.92Å; Y80-L137 HydrophobicContact CD2-CD1 4.3Å; Y80-L137 HydrophobicContact CE2-CB 3.65Å; Y80-L137 HydrophobicContact CE2-CD1 3.99Å; Y80-M138 WeakPolarHBondContact OH-CA 3.17Å; Y80-M138 WeakPolarHBondContact OH-CB 3.31Å; Y80-M138 PolarHBondContact OH-N 3.46Å; Y80-V141 HydrophobicContact CD1-CG2 4.43Å; Y80-V141 HydrophobicContact CE1-CG2 3.89Å; Y80-F174 HydrophobicContact CD1-CE1 4.11Å; Y80-F174 HydrophobicContact CD1-CE2 4.5Å; Y80-F174 AromaticContact CD1-CZ 3.53Å; Y80-F174 HydrophobicContact CD1-CZ 3.53Å; Y80-F174 HydrophobicContact CD2-CE2 4.36Å; Y80-F174 AromaticContact CD2-CZ 3.63Å; Y80-F174 HydrophobicContact CD2-CZ 3.63Å; Y80-F174 AromaticContact CE1-CE1 3.54Å; Y80-F174 HydrophobicContact CE1-CE1 3.54Å; Y80-F174 AromaticContact CE1-CZ 3.39Å; Y80-F174 HydrophobicContact CE1-CZ 3.39Å; Y80-F174 HydrophobicContact CE2-CE1 4.09Å; Y80-F174 AromaticContact CE2-CZ 3.49Å; Y80-F174 HydrophobicContact CE2-CZ 3.49Å; Y80-F174 VanDerWaalsContact CE2-CZ 3.49Å; Y80-F174 HydrophobicContact CG-CE2 4.33Å; Y80-F174 AromaticContact CG-CZ 3.63Å; Y80-F174 HydrophobicContact CG-CZ 3.63Å; Y80-F174 AromaticContact CZ-CE1 3.51Å; Y80-F174 AromaticContact CZ-CZ 3.34Å; Y80-I182 HydrophobicContact CE1-CD1 4.1Å |
| 81 | H | 94 | Very high | 94.5 | Very high | 42 Ų | 42 | 46.7 Ų | 46.7 | 19% | 0.194 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -38.8 | -177.6 | -61.8 | -179.1 | 0 | 0 | 0 | 111.7 | M77 Q78 R83 I86 R87 F88 | M77-H81 PolarHBondContact O-CD2 2.81Å; M77-H81 PolarHBondContact O-N 2.79Å; M77-H81 VanDerWaalsContact O-N 3.15Å; Q78-H81 WeakPolarHBondContact O-CA 3.43Å; Q78-H81 WeakPolarHBondContact O-CB 3.29Å; Q78-H81 PolarHBondContact O-N 2.67Å; H81-R83 VanDerWaalsContact C-N 3.34Å; H81-R83 PolarHBondContact O-N 3.06Å; H81-I86 PolarHBondContact CD2-O 3.47Å; H81-R87 PolarHBondContact O-NH1 2.82Å; H81-R87 PolarHBondContact O-NH2 2.7Å; H81-F88 PolarHBondContact NE2-N 3.4Å; H81-F88 PolarHBondContact NE2-O 3.1Å |
| 82 | D | 90.1 | Very high | 94.5 | Very high | 84 Ų | 84 | 50 Ų | 50 | 45% | 0.449 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -72.1 | -24.1 | -176.7 | -65.6 | -16.8 | 0 | 0 | 0 | 113.5 | Q78 Y80 | Q78-D82 PolarHBondContact NE2-OD1 3.21Å; Q78-D82 PolarHBondContact O-N 3.37Å; Y80-D82 VanDerWaalsContact C-N 3.28Å; Y80-D82 PolarHBondContact O-N 3.47Å |
| 83 | R | 86.8 | Confident | 94.5 | Very high | 102 Ų | 102 | 54.6 Ų | 54.6 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -126.8 | -6.7 | -165.4 | -60.2 | 170.2 | -172.3 | 158.2 | -12 | 114.5 | S79 Y80 H81 D173 L179 N183 | S79-R83 PolarHBondContact OG-NH1 3.13Å; Y80-R83 PolarHBondContact O-N 3.1Å; H81-R83 VanDerWaalsContact C-N 3.34Å; H81-R83 PolarHBondContact O-N 3.06Å; R83-D173 IonicContact CZ-OD2 3.79Å; R83-D173 VanDerWaalsContact CZ-OD2 3.25Å; R83-D173 IonicContact NH1-OD1 2.72Å; R83-D173 PolarHBondContact NH1-OD1 2.03Å; R83-D173 IonicContact NH1-OD2 3.75Å; R83-D173 PolarHBondContact NH1-OD2 3.1Å; R83-D173 IonicContact NH2-OD2 2.82Å; R83-D173 PolarHBondContact NH2-OD2 2.87Å; R83-L179 HydrophobicContact CB-CD1 4.32Å; R83-L179 HydrophobicContact CB-CD2 3.73Å; R83-N183 PolarHBondContact O-ND2 2.7Å |
| 84 | T | 88.9 | Confident | 94.5 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -144.3 | 171.1 | -178 | 77.3 | 0 | 0 | 0 | 0 | 110.3 | Y80 I86 R87 L179 I182 N183 | Y80-T84 WeakPolarHBondContact O-CB 3.02Å; Y80-T84 PolarHBondContact O-N 3.26Å; Y80-T84 PolarHBondContact O-OG1 2.71Å; T84-I86 VanDerWaalsContact C-N 3.26Å; T84-I86 WeakPolarHBondContact OG1-CB 3.37Å; T84-I86 WeakPolarHBondContact OG1-CG1 3.34Å; T84-I86 PolarHBondContact OG1-N 3.06Å; T84-R87 PolarHBondContact O-NH1 3.47Å; T84-L179 HydrophobicContact CG2-CD2 3.9Å; T84-I182 HydrophobicContact CG2-CB 4.24Å; T84-I182 HydrophobicContact CG2-CD1 4.33Å; T84-I182 HydrophobicContact CG2-CG2 3.76Å; T84-N183 WeakPolarHBondContact CA-OD1 3.42Å; T84-N183 WeakPolarHBondContact CB-OD1 3.36Å |
| 85 | C | 92.4 | Very high | 94.4 | Very high | 30 Ų | 30 | 62.9 Ų | 62.9 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -82.9 | 4.2 | 168.9 | 63.9 | 0 | 0 | 0 | 0 | 113.6 | C188 | C85-C188 HydrophobicContact CB-CB 3.6Å; C85-C188 WeakPolarHBondContact CB-SG 3.29Å; C85-C188 PolarHBondContact N-SG 2.94Å; C85-C188 WeakPolarHBondContact SG-CA 3.46Å; C85-C188 WeakPolarHBondContact SG-CB 3.46Å; C85-C188 CovalentContact SG-SG 2.04Å; C85-C188 PolarHBondContact SG-SG 3.39Å |
| 86 | I | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -69.5 | 132.7 | 177.1 | -60.3 | -67.4 | 0 | 0 | 0 | 110 | G55 I57 Y80 H81 T84 F88 V141 I182 Y186 | G55-I86 WeakPolarHBondContact O-CA 3.48Å; I57-I86 HydrophobicContact CD1-CG2 3.8Å; I57-I86 HydrophobicContact CG1-CG2 4.3Å; Y80-I86 HydrophobicContact CD1-CB 4.22Å; Y80-I86 HydrophobicContact CD1-CG1 4.46Å; Y80-I86 HydrophobicContact CD1-CG2 4.22Å; H81-I86 PolarHBondContact CD2-O 3.47Å; T84-I86 VanDerWaalsContact C-N 3.26Å; T84-I86 WeakPolarHBondContact OG1-CB 3.37Å; T84-I86 WeakPolarHBondContact OG1-CG1 3.34Å; T84-I86 PolarHBondContact OG1-N 3.06Å; I86-F88 HydrophobicContact CG2-CD2 4.3Å; I86-F88 HydrophobicContact CG2-CE2 3.85Å; I86-F88 HydrophobicContact CG2-CZ 4.13Å; I86-V141 HydrophobicContact CD1-CG1 3.98Å; I86-V141 HydrophobicContact CG1-CG1 4.3Å; I86-V141 HydrophobicContact CG2-CG2 4.12Å; I86-I182 HydrophobicContact CD1-CG2 4.42Å; I86-I182 HydrophobicContact CG1-CG2 3.79Å; I86-Y186 HydrophobicContact CD1-CD1 3.81Å; I86-Y186 HydrophobicContact CD1-CD2 3.6Å; I86-Y186 HydrophobicContact CD1-CE1 3.85Å; I86-Y186 HydrophobicContact CD1-CE2 3.65Å; I86-Y186 HydrophobicContact CD1-CG 3.67Å | ||
| 87 | R | 96.5 | Very high | 94.7 | Very high | 70 Ų | 70 | 57.4 Ų | 57.4 | 26% | 0.264 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 102.6 | 179.9 | -62.8 | -64.4 | 176.2 | -94.7 | 7.1 | 110 | G55 R56 I57 H81 T84 V89 | G55-R87 PolarHBondContact O-N 3.33Å; R56-R87 WeakPolarHBondContact CA-O 3.22Å; I57-R87 PolarHBondContact N-O 2.89Å; H81-R87 PolarHBondContact O-NH1 2.82Å; H81-R87 PolarHBondContact O-NH2 2.7Å; T84-R87 PolarHBondContact O-NH1 3.47Å; R87-V89 HydrophobicContact CB-CG1 4.18Å; R87-V89 PolarHBondContact O-N 2.74Å |
| 88 | F | 98 | Very high | 94.7 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 119.8 | 162.7 | -63.9 | -77 | 0 | 0 | 0 | 109.2 | I57 Y59 M77 Y80 H81 I86 L98 L137 V141 | I57-F88 HydrophobicContact CB-CD1 3.86Å; I57-F88 HydrophobicContact CB-CE1 4Å; I57-F88 HydrophobicContact CD1-CD1 4.44Å; I57-F88 HydrophobicContact CD1-CE1 3.77Å; I57-F88 HydrophobicContact CD1-CZ 4.04Å; I57-F88 HydrophobicContact CG1-CE1 4.39Å; I57-F88 HydrophobicContact CG2-CD1 3.96Å; I57-F88 HydrophobicContact CG2-CE1 3.9Å; I57-F88 WeakPolarHBondContact O-CA 3.33Å; Y59-F88 HydrophobicContact CD1-CB 4Å; Y59-F88 HydrophobicContact CE1-CB 4.13Å; M77-F88 HydrophobicContact CB-CB 4.19Å; M77-F88 HydrophobicContact CB-CD2 3.91Å; M77-F88 HydrophobicContact CB-CG 4.28Å; M77-F88 HydrophobicContact CE-CB 4.35Å; M77-F88 HydrophobicContact CE-CD1 4.4Å; M77-F88 HydrophobicContact CE-CG 4.38Å; M77-F88 HydrophobicContact CG-CB 3.93Å; M77-F88 HydrophobicContact CG-CD2 3.78Å; M77-F88 HydrophobicContact CG-CE2 4.5Å; M77-F88 HydrophobicContact CG-CG 3.82Å; M77-F88 HydrophobicContact SD-CB 3.8Å; M77-F88 HydrophobicContact SD-CG 4.2Å; Y80-F88 HydrophobicContact CD1-CE2 4.17Å; Y80-F88 HydrophobicContact CD2-CD2 4.46Å; Y80-F88 AromaticContact CD2-CE2 3.57Å; Y80-F88 HydrophobicContact CD2-CE2 3.57Å; Y80-F88 HydrophobicContact CD2-CZ 4.34Å; Y80-F88 HydrophobicContact CE2-CE2 4.12Å; Y80-F88 HydrophobicContact CE2-CZ 4.47Å; Y80-F88 HydrophobicContact CG-CD2 4.46Å; Y80-F88 AromaticContact CG-CE2 3.61Å; Y80-F88 HydrophobicContact CG-CE2 3.61Å; Y80-F88 HydrophobicContact CG-CZ 4.49Å; H81-F88 PolarHBondContact NE2-N 3.4Å; H81-F88 PolarHBondContact NE2-O 3.1Å; I86-F88 HydrophobicContact CG2-CD2 4.3Å; I86-F88 HydrophobicContact CG2-CE2 3.85Å; I86-F88 HydrophobicContact CG2-CZ 4.13Å; F88-L98 HydrophobicContact CE1-CD1 4.17Å; F88-L137 HydrophobicContact CD1-CD2 4.3Å; F88-L137 HydrophobicContact CE1-CD2 3.65Å; F88-L137 HydrophobicContact CE1-CG 4.49Å; F88-L137 HydrophobicContact CE2-CD1 4.17Å; F88-L137 HydrophobicContact CZ-CB 3.91Å; F88-L137 HydrophobicContact CZ-CD1 4.14Å; F88-L137 HydrophobicContact CZ-CD2 3.8Å; F88-L137 HydrophobicContact CZ-CG 4.16Å; F88-V141 HydrophobicContact CZ-CG2 4.08Å |
| 89 | V | 97.5 | Very high | 94.8 | Very high | 38 Ų | 38 | 57.2 Ų | 57.2 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.3 | -174.9 | -64.3 | 0 | 0 | 0 | 0 | 109.6 | R56 I57 P58 Y59 R87 R91 | R56-V89 HydrophobicContact CG-CG1 4.26Å; R56-V89 HydrophobicContact CG-CG2 3.66Å; R56-V89 VanDerWaalsContact CZ-CG2 3.45Å; I57-V89 PolarHBondContact O-N 3.04Å; P58-V89 CarbonylContact C-O 3.54Å; P58-V89 VanDerWaalsContact CA-O 3.25Å; P58-V89 WeakPolarHBondContact CA-O 3.1Å; P58-V89 HydrophobicContact CB-CG2 4.4Å; P58-V89 HydrophobicContact CG-CG2 4.38Å; Y59-V89 VanDerWaalsContact CD1-C 3.45Å; Y59-V89 WeakPolarHBondContact CD1-O 3.23Å; Y59-V89 VanDerWaalsContact CE1-C 3.43Å; Y59-V89 PolarHBondContact N-O 3.32Å; R87-V89 HydrophobicContact CB-CG1 4.18Å; R87-V89 PolarHBondContact O-N 2.74Å; V89-R91 PolarHBondContact O-N 3.35Å |
| 90 | R | 97.4 | Very high | 95.2 | Very high | 190 Ų | 190 | 57 Ų | 57 | 72% | 0.717 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 127 | 175.4 | -172.5 | 179.6 | -178.4 | -164.3 | 2.7 | 108.9 | ||
| 91 | R | 97.4 | Very high | 95.4 | Very high | 65 Ų | 65 | 57.1 Ų | 57.1 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | trans | -63.6 | 140.3 | 176.3 | -173.2 | -157.5 | 179.3 | -161.2 | -0.1 | 110.5 | P58 Y59 V89 E94 Y97 | P58-R91 HydrophobicContact CB-CB 4.13Å; P58-R91 HydrophobicContact CB-CG 4.24Å; Y59-R91 WeakPolarHBondContact O-CB 3.04Å; Y59-R91 PolarHBondContact O-N 3.44Å; V89-R91 PolarHBondContact O-N 3.35Å; R91-E94 VanDerWaalsContact CA-OE2 3.31Å; R91-E94 WeakPolarHBondContact CA-OE2 3.34Å; R91-E94 HydrophobicContact CG-CB 4.45Å; R91-E94 WeakPolarHBondContact CG-OE2 3.5Å; R91-E94 PolarHBondContact NE-O 3.41Å; R91-E94 PolarHBondContact NH2-O 3.23Å; R91-E94 VanDerWaalsContact NH2-O 3.12Å; R91-Y97 HydrophobicContact CG-CG 4.16Å; R91-Y97 VanDerWaalsContact NH1-CE1 3.29Å; R91-Y97 VanDerWaalsContact NH1-CE2 3.32Å; R91-Y97 PolarHBondContact NH1-OH 2.53Å | ||
| 92 | T | 96.7 | Very high | 95.5 | Very high | 110 Ų | 110 | 57.6 Ų | 57.6 | 68% | 0.675 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -111.8 | -81.9 | 166.3 | 55.8 | 0 | 0 | 0 | 0 | 109.6 | E94 | T92-E94 PolarHBondContact N-OE2 2.93Š|
| 93 | N | 96 | Very high | 95.6 | Very high | 137 Ų | 137 | 57.2 Ų | 57.2 | 73% | 0.733 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -122.9 | 10 | -175.9 | 66 | -12.8 | 0 | 0 | 0 | 113.2 | Q95 | N93-Q95 PolarHBondContact O-N 3.21Š|
| 94 | E | 97.3 | Very high | 95.6 | Very high | 28 Ų | 28 | 54.5 Ų | 54.5 | 13% | 0.131 | 27% | 0.268 | C | S | . | . | trans | -63 | 133.5 | -179.6 | -57.1 | 92.7 | 152.8 | 0 | 0 | 110.8 | R56 P58 R91 T92 | R56-E94 IonicContact CZ-OE1 2.79Å; R56-E94 IonicContact NH1-OE1 2.68Å; R56-E94 PolarHBondContact NH1-OE1 3.07Å; R56-E94 IonicContact NH2-OE1 2.91Å; R56-E94 PolarHBondContact NH2-OE1 3.11Å; P58-E94 HydrophobicContact CB-CB 3.99Å; P58-E94 HydrophobicContact CB-CG 4.01Å; P58-E94 HydrophobicContact CG-CB 3.75Å; P58-E94 HydrophobicContact CG-CG 3.57Å; R91-E94 VanDerWaalsContact CA-OE2 3.31Å; R91-E94 WeakPolarHBondContact CA-OE2 3.34Å; R91-E94 HydrophobicContact CG-CB 4.45Å; R91-E94 WeakPolarHBondContact CG-OE2 3.5Å; R91-E94 PolarHBondContact NE-O 3.41Å; R91-E94 PolarHBondContact NH2-O 3.23Å; R91-E94 VanDerWaalsContact NH2-O 3.12Å; T92-E94 PolarHBondContact N-OE2 2.93Å | ||
| 95 | Q | 96 | Very high | 95.2 | Very high | 165 Ų | 165 | 56.7 Ų | 56.7 | 77% | 0.771 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -69.4 | -37.9 | 177.4 | -65.2 | -176.8 | 24.2 | 0 | 0 | 111.2 | N93 G117 | N93-Q95 PolarHBondContact O-N 3.21Å; Q95-G117 CarbonylContact O-C 3.39Å; Q95-G117 VanDerWaalsContact O-C 3.28Å; Q95-G117 VanDerWaalsContact O-CA 3.3Å; Q95-G117 WeakPolarHBondContact O-CA 3.28Å |
| 96 | D | 96.7 | Very high | 94.8 | Very high | 37 Ų | 37 | 58 Ų | 58 | 20% | 0.198 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -102.5 | 123.1 | 178.7 | -52.2 | -31.9 | 0 | 0 | 0 | 109.7 | W52 R114 G116 G117 | W52-D96 HydrophobicContact CZ3-CB 3.98Å; D96-R114 HydrophobicContact CB-CG 4.34Å; D96-R114 IonicContact OD2-CZ 2.77Å; D96-R114 IonicContact OD2-NH1 2.89Å; D96-R114 PolarHBondContact OD2-NH1 3.18Å; D96-G116 WeakPolarHBondContact OD1-CA 3.44Å; D96-G117 WeakPolarHBondContact CA-O 3.35Å; D96-G117 PolarHBondContact OD1-N 2.64Å |
| 97 | Y | 97.7 | Very high | 94.2 | Very high | 16 Ų | 16 | 58.4 Ų | 58.4 | 6% | 0.063 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 160.6 | -177.5 | 65.4 | -78.3 | 0 | 0 | 0 | 111.3 | P58 Q60 R91 K99 G117 E118 Q119 | P58-Y97 CarbonylContact O-C 3.55Å; P58-Y97 VanDerWaalsContact O-CA 3.27Å; P58-Y97 WeakPolarHBondContact O-CA 3.49Å; P58-Y97 WeakPolarHBondContact O-CB 3.38Å; Q60-Y97 HydrophobicContact CB-CD2 4.25Å; Q60-Y97 HydrophobicContact CB-CE2 4.31Å; R91-Y97 HydrophobicContact CG-CG 4.16Å; R91-Y97 VanDerWaalsContact NH1-CE1 3.29Å; R91-Y97 VanDerWaalsContact NH1-CE2 3.32Å; R91-Y97 PolarHBondContact NH1-OH 2.53Å; Y97-K99 HydrophobicContact CE2-CB 4.14Å; Y97-G117 PolarHBondContact N-O 3.02Å; Y97-E118 HydrophobicContact CE1-CB 3.7Å; Y97-E118 HydrophobicContact CE1-CG 4.17Å; Y97-E118 HydrophobicContact CE2-CB 4.21Å; Y97-E118 HydrophobicContact CE2-CG 3.73Å; Y97-E118 VanDerWaalsContact CZ-CB 3.49Å; Y97-E118 VanDerWaalsContact CZ-CG 3.46Å; Y97-E118 WeakPolarHBondContact OH-CB 3.22Å; Y97-E118 VanDerWaalsContact OH-CD 3.32Å; Y97-E118 WeakPolarHBondContact OH-CG 3.09Å; Y97-E118 PolarHBondContact OH-OE2 2.72Å; Y97-Q119 PolarHBondContact O-N 2.82Å |
| 98 | L | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 126.6 | 169.3 | -61.6 | 179.5 | 0 | 0 | 0 | 110.6 | W52 I57 P58 Y59 Q60 F88 I100 Q119 L121 S140 | W52-L98 HydrophobicContact CH2-CD2 4.34Å; W52-L98 HydrophobicContact CH2-CG 4.38Å; W52-L98 HydrophobicContact CZ2-CD2 3.83Å; W52-L98 HydrophobicContact CZ2-CG 4.1Å; I57-L98 HydrophobicContact CG2-CD1 3.51Å; I57-L98 HydrophobicContact CG2-CG 3.8Å; P58-L98 PolarHBondContact O-N 2.77Å; Y59-L98 CarbonylContact C-O 3.48Å; Y59-L98 VanDerWaalsContact CA-O 3.23Å; Y59-L98 WeakPolarHBondContact CA-O 3.49Å; Q60-L98 PolarHBondContact N-O 2.9Å; F88-L98 HydrophobicContact CE1-CD1 4.17Å; L98-I100 HydrophobicContact CB-CG1 4.17Å; L98-Q119 CarbonylContact C-O 3.53Å; L98-Q119 WeakPolarHBondContact CA-O 3.4Å; L98-Q119 HydrophobicContact CD2-CB 4.17Å; L98-Q119 HydrophobicContact CD2-CG 3.93Å; L98-L121 HydrophobicContact CD1-CD1 4.15Å; L98-S140 WeakPolarHBondContact CD1-OG 3.32Å |
| 99 | K | 97.4 | Very high | 93.4 | Very high | 66 Ų | 66 | 56 Ų | 56 | 29% | 0.287 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 105.9 | 164.1 | -170.6 | 169.8 | 178.9 | 173.6 | 0 | 108.3 | Y97 Y103 E118 Q119 L121 | Y97-K99 HydrophobicContact CE2-CB 4.14Å; K99-Y103 WeakPolarHBondContact CG-OH 3.5Å; K99-Y103 PolarHBondContact O-OH 3.41Å; K99-E118 HydrophobicContact CB-CG 3.92Å; K99-E118 HydrophobicContact CD-CG 3.93Å; K99-E118 WeakPolarHBondContact CD-OE1 3.44Å; K99-E118 WeakPolarHBondContact CD-OE2 3.49Å; K99-E118 IonicContact NZ-OE1 3.48Å; K99-E118 PolarHBondContact NZ-OE1 2.95Å; K99-E118 IonicContact NZ-OE2 2.9Å; K99-E118 PolarHBondContact NZ-OE2 2.72Å; K99-Q119 PolarHBondContact N-O 2.88Å; K99-L121 PolarHBondContact O-N 2.82Å |
| 100 | I | 98 | Very high | 93 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.3 | -176.9 | -57.6 | 175 | 0 | 0 | 0 | 107.7 | Y59 Q60 L61 S62 Y65 M77 L98 L121 L123 L137 | Y59-I100 HydrophobicContact CD2-CD1 4.11Å; Y59-I100 HydrophobicContact CG-CD1 4.25Å; Q60-I100 PolarHBondContact O-N 3.27Å; L61-I100 HydrophobicContact CD1-CB 3.84Å; L61-I100 HydrophobicContact CD1-CG2 3.59Å; S62-I100 WeakPolarHBondContact CB-O 3.25Å; S62-I100 PolarHBondContact N-O 2.86Å; Y65-I100 HydrophobicContact CE2-CG2 4.23Å; M77-I100 HydrophobicContact CE-CD1 3.42Å; M77-I100 VanDerWaalsContact CE-CD1 3.42Å; L98-I100 HydrophobicContact CB-CG1 4.17Å; I100-L121 WeakPolarHBondContact CA-O 3.5Å; I100-L121 HydrophobicContact CG1-CB 4.27Å; I100-L121 HydrophobicContact CG2-CD2 4.39Å; I100-L123 HydrophobicContact CG2-CD1 3.78Å; I100-L123 HydrophobicContact CG2-CG 4.41Å; I100-L137 HydrophobicContact CD1-CD2 4.46Å |
| 101 | G | 97.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 174 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y65 L121 S122 L123 | Y65-G101 WeakPolarHBondContact OH-CA 3.49Å; Y65-G101 PolarHBondContact OH-N 3.41Å; Y65-G101 PolarHBondContact OH-O 3.28Å; Y65-G101 VanDerWaalsContact OH-O 3.07Å; G101-L121 PolarHBondContact N-O 3.01Å; G101-L121 VanDerWaalsContact N-O 3.1Å; G101-S122 WeakPolarHBondContact O-CA 2.97Å; G101-L123 PolarHBondContact O-N 3.2Å |
| 102 | K | 94.9 | Very high | 92.3 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | trans | -96.3 | 129.2 | 169 | -54.4 | -169.9 | 175.1 | -178.1 | 0 | 107.7 | Y65 E69 D125 | Y65-K102 HydrophobicContact CD1-CG 4.47Å; Y65-K102 HydrophobicContact CE1-CD 4.4Å; Y65-K102 HydrophobicContact CE1-CG 3.84Å; E69-K102 VanDerWaalsContact OE1-CE 3.29Å; E69-K102 WeakPolarHBondContact OE1-CE 3.47Å; E69-K102 IonicContact OE1-NZ 3.86Å; E69-K102 PolarHBondContact OE1-NZ 3Å; E69-K102 IonicContact OE2-NZ 2.72Å; E69-K102 PolarHBondContact OE2-NZ 3.47Å; K102-D125 WeakPolarHBondContact CE-OD1 3.39Å; K102-D125 IonicContact NZ-OD1 2.72Å; K102-D125 PolarHBondContact NZ-OD1 3.41Å | ||
| 103 | Y | 92.3 | Very high | 92 | Very high | 76 Ų | 76 | 37 Ų | 37 | 30% | 0.298 | 21% | 0.208 | S | C | . | . | trans | -124.3 | 10.1 | -171.9 | -62.2 | -65.6 | 0 | 0 | 0 | 113.6 | K99 F109 M120 D124 | K99-Y103 WeakPolarHBondContact CG-OH 3.5Å; K99-Y103 PolarHBondContact O-OH 3.41Å; Y103-F109 HydrophobicContact CD2-CZ 4.09Å; Y103-M120 HydrophobicContact CD1-CE 3.26Å; Y103-M120 HydrophobicContact CD2-CE 4Å; Y103-M120 HydrophobicContact CE1-CE 3.13Å; Y103-M120 HydrophobicContact CE2-CB 4.04Å; Y103-M120 HydrophobicContact CE2-CE 3.89Å; Y103-M120 HydrophobicContact CE2-CG 4.49Å; Y103-M120 HydrophobicContact CG-CE 3.7Å; Y103-M120 VanDerWaalsContact CZ-CE 3.44Å; Y103-D124 PolarHBondContact N-OD2 2.88Å | ||
| 104 | G | 86 | Confident | 91.9 | Very high | 45 Ų | 45 | 33 Ų | 33 | 46% | 0.464 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 90.8 | 153.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V107 D124 | G104-V107 WeakPolarHBondContact O-CG2 3.19Å; G104-D124 WeakPolarHBondContact CA-OD2 3.13Å; G104-D124 PolarHBondContact N-OD2 3.24Å |
| 105 | G | 80.7 | Confident | 91.4 | Very high | 53 Ų | 53 | 32.4 Ų | 32.4 | 55% | 0.546 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 12.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | V107 | G105-V107 WeakPolarHBondContact O-CG1 3.49Å; G105-V107 PolarHBondContact O-N 3.06Å |
| 106 | S | 84.4 | Confident | 91.1 | Very high | 59 Ų | 59 | 25.4 Ų | 25.4 | 41% | 0.413 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 36.4 | 179.4 | -59.5 | 0 | 0 | 0 | 0 | 113 | D125 | S106-D125 WeakPolarHBondContact CA-O 3.33Å; S106-D125 VanDerWaalsContact CB-O 3.26Å; S106-D125 WeakPolarHBondContact CB-O 3.5Å; S106-D125 PolarHBondContact OG-O 2.9Å |
| 107 | V | 82.3 | Confident | 91 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 5% | 0.048 | 16% | 0.16 | C | C | . | . | trans | -104.2 | 135.1 | -177.8 | -68.6 | 0 | 0 | 0 | 0 | 112 | T9 G104 G105 F109 S122 D124 | T9-V107 HydrophobicContact CG2-CB 4.35Å; T9-V107 HydrophobicContact CG2-CG1 4.23Å; G104-V107 WeakPolarHBondContact O-CG2 3.19Å; G105-V107 WeakPolarHBondContact O-CG1 3.49Å; G105-V107 PolarHBondContact O-N 3.06Å; V107-F109 HydrophobicContact CB-CD1 4.29Å; V107-F109 HydrophobicContact CG2-CD1 3.86Å; V107-F109 HydrophobicContact CG2-CE1 3.71Å; V107-S122 WeakPolarHBondContact O-CB 3.23Å; V107-S122 PolarHBondContact O-OG 2.55Å; V107-D124 WeakPolarHBondContact O-CB 3.39Å | ||
| 108 | C | 88.6 | Confident | 90.9 | Very high | 11 Ų | 11 | 28.4 Ų | 28.4 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.1 | 174.9 | -30.8 | 0 | 0 | 0 | 0 | 107.9 | S122 C127 T132 E136 | C108-S122 WeakPolarHBondContact CA-O 3.45Å; C108-C127 WeakPolarHBondContact CA-SG 2.91Å; C108-C127 HydrophobicContact CB-CB 3.82Å; C108-C127 WeakPolarHBondContact CB-SG 3.23Å; C108-C127 PolarHBondContact N-SG 3.43Å; C108-C127 VanDerWaalsContact SG-CA 3.58Å; C108-C127 WeakPolarHBondContact SG-CB 3.43Å; C108-C127 CovalentContact SG-SG 2.03Å; C108-C127 PolarHBondContact SG-SG 3.1Å; C108-T132 HydrophobicContact CB-CG2 4.06Å; C108-E136 HydrophobicContact CB-CG 4.19Å; C108-E136 WeakPolarHBondContact CB-OE1 3.44Å |
| 109 | F | 89.2 | Confident | 90.7 | Very high | 16 Ų | 16 | 28.7 Ų | 28.7 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 160.2 | 177.5 | 60.1 | -101.9 | 0 | 0 | 0 | 113.3 | K16 D20 I22 Y103 V107 M120 L121 S122 E136 | K16-F109 HydrophobicContact CD-CB 4.06Å; K16-F109 HydrophobicContact CD-CD1 4.15Å; K16-F109 HydrophobicContact CD-CG 4.35Å; D20-F109 CarbonylContact O-C 3.46Å; D20-F109 WeakPolarHBondContact O-CA 3.01Å; D20-F109 WeakPolarHBondContact O-CB 2.67Å; I22-F109 HydrophobicContact CB-CD2 4.34Å; I22-F109 HydrophobicContact CD1-CD2 3.32Å; I22-F109 HydrophobicContact CD1-CE2 3.31Å; I22-F109 HydrophobicContact CD1-CG 4.48Å; I22-F109 HydrophobicContact CD1-CZ 4.45Å; I22-F109 HydrophobicContact CG1-CD2 3.58Å; I22-F109 HydrophobicContact CG1-CE2 4.11Å; I22-F109 HydrophobicContact CG1-CG 4.44Å; I22-F109 HydrophobicContact CG2-CB 4.06Å; I22-F109 HydrophobicContact CG2-CD2 3.86Å; I22-F109 HydrophobicContact CG2-CE2 4.46Å; I22-F109 HydrophobicContact CG2-CG 4Å; Y103-F109 HydrophobicContact CD2-CZ 4.09Å; V107-F109 HydrophobicContact CB-CD1 4.29Å; V107-F109 HydrophobicContact CG2-CD1 3.86Å; V107-F109 HydrophobicContact CG2-CE1 3.71Å; F109-M120 HydrophobicContact CE2-CB 4.34Å; F109-L121 CarbonylContact O-C 3.6Å; F109-L121 WeakPolarHBondContact O-CA 3.17Å; F109-S122 VanDerWaalsContact CZ-CB 3.46Å; F109-S122 PolarHBondContact N-O 3.05Å; F109-S122 PolarHBondContact O-N 2.89Å; F109-E136 VanDerWaalsContact CA-OE2 3.23Å; F109-E136 WeakPolarHBondContact CA-OE2 3.46Å |
| 110 | S | 90.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -151 | 160.7 | 175.1 | -166.9 | 0 | 0 | 0 | 0 | 110.4 | D20 I21 I22 E136 S140 | D20-S110 PolarHBondContact O-N 2.6Å; I21-S110 WeakPolarHBondContact CA-O 3.36Å; I22-S110 PolarHBondContact N-O 3.14Å; S110-E136 VanDerWaalsContact CB-O 3.32Å; S110-E136 WeakPolarHBondContact CB-O 3.22Å; S110-E136 WeakPolarHBondContact CB-OE2 3.46Å; S110-E136 PolarHBondContact N-OE2 3.15Å; S110-E136 VanDerWaalsContact N-OE2 3.16Å; S110-E136 PolarHBondContact OG-O 2.89Å; S110-E136 VanDerWaalsContact OG-O 3.11Å; S110-S140 PolarHBondContact OG-N 2.82Å |
| 111 | D | 89.6 | Confident | 90.5 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | trans | -92 | 155 | 165.5 | -172.8 | 8.2 | 0 | 0 | 0 | 109 | I22 G23 K24 A25 G113 S115 Q119 H139 S140 | I22-D111 HydrophobicContact CG1-CB 4.29Å; I22-D111 VanDerWaalsContact O-CG 3.23Å; G23-D111 WeakPolarHBondContact CA-OD2 3.15Å; K24-D111 PolarHBondContact N-OD2 3.47Å; A25-D111 WeakPolarHBondContact CA-OD1 3.25Å; A25-D111 WeakPolarHBondContact CB-OD1 3.49Å; A25-D111 PolarHBondContact N-OD1 3.04Å; D111-G113 PolarHBondContact O-N 3.47Å; D111-S115 VanDerWaalsContact CG-OG 3.22Å; D111-S115 WeakPolarHBondContact OD2-CB 3.45Å; D111-S115 PolarHBondContact OD2-OG 3.45Å; D111-Q119 HydrophobicContact CB-CG 4.04Å; D111-Q119 PolarHBondContact O-NE2 2.79Å; D111-H139 CarbonylContact O-C 3.56Å; D111-S140 WeakPolarHBondContact O-CA 3.49Å | ||
| 112 | V | 88.7 | Confident | 90.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -89.7 | 112.2 | -171 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | I21 A25 R45 H139 G142 W144 | I21-V112 HydrophobicContact CD1-CG2 3.82Å; I21-V112 HydrophobicContact CG1-CG2 4.06Å; I21-V112 HydrophobicContact CG2-CG2 3.71Å; A25-V112 HydrophobicContact CB-CB 3.78Å; A25-V112 HydrophobicContact CB-CG2 4.41Å; R45-V112 HydrophobicContact CB-CG1 4.3Å; R45-V112 WeakPolarHBondContact CD-O 3.3Å; R45-V112 PolarHBondContact NH1-O 3.07Å; V112-H139 CarbonylContact C-O 3.6Å; V112-H139 VanDerWaalsContact CA-O 3.25Å; V112-H139 WeakPolarHBondContact CA-O 3.38Å; V112-G142 VanDerWaalsContact CG1-C 3.41Å; V112-W144 HydrophobicContact CB-CD2 4.32Å; V112-W144 HydrophobicContact CB-CE3 4.38Å; V112-W144 HydrophobicContact CB-CH2 4.16Å; V112-W144 HydrophobicContact CB-CZ2 4.11Å; V112-W144 HydrophobicContact CB-CZ3 4.3Å; V112-W144 HydrophobicContact CG1-CD2 4Å; V112-W144 HydrophobicContact CG1-CG 4.29Å; V112-W144 HydrophobicContact CG1-CZ2 4.22Å; V112-W144 HydrophobicContact CG2-CD2 4Å; V112-W144 HydrophobicContact CG2-CE3 3.68Å; V112-W144 HydrophobicContact CG2-CH2 4.06Å; V112-W144 HydrophobicContact CG2-CZ2 4.39Å; V112-W144 HydrophobicContact CG2-CZ3 3.71Å |
| 113 | G | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 76 | -167.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y50 D111 S115 Q119 H139 S140 G142 | Y50-G113 CarbonylContact O-C 3.59Å; D111-G113 PolarHBondContact O-N 3.47Å; G113-S115 PolarHBondContact O-N 2.87Å; G113-Q119 PolarHBondContact O-NE2 3.44Å; G113-Q119 PolarHBondContact O-OE1 2.9Å; G113-Q119 VanDerWaalsContact O-OE1 3.05Å; G113-H139 PolarHBondContact N-O 3.4Å; G113-S140 CarbonylContact C-O 3.55Å; G113-S140 WeakPolarHBondContact CA-O 3.27Å; G113-S140 PolarHBondContact N-O 2.99Å; G113-G142 VanDerWaalsContact CA-CA 3.48Å |
| 114 | R | 93 | Very high | 90.4 | Very high | 52 Ų | 52 | 23.1 Ų | 23.1 | 20% | 0.196 | 16% | 0.156 | C | C | . | . | trans | -74.1 | 119.8 | 175.7 | -171.1 | -178.5 | 68.3 | 96.4 | 0.8 | 110.2 | T49 Y50 R51 W52 D96 | T49-R114 PolarHBondContact O-NE 2.94Å; T49-R114 PolarHBondContact O-NH2 3.3Å; Y50-R114 PolarHBondContact O-N 3.04Å; R51-R114 PolarHBondContact O-NE 3.26Å; R51-R114 VanDerWaalsContact O-NE 3.15Å; W52-R114 HydrophobicContact CD2-CB 3.82Å; W52-R114 HydrophobicContact CD2-CG 4.01Å; W52-R114 HydrophobicContact CE3-CB 4.27Å; W52-R114 HydrophobicContact CE3-CG 3.92Å; W52-R114 HydrophobicContact CG-CB 4.13Å; W52-R114 HydrophobicContact CH2-CG 4.11Å; W52-R114 HydrophobicContact CZ2-CB 4.17Å; W52-R114 HydrophobicContact CZ2-CG 4.2Å; W52-R114 HydrophobicContact CZ3-CG 3.98Å; D96-R114 HydrophobicContact CB-CG 4.34Å; D96-R114 IonicContact OD2-CZ 2.77Å; D96-R114 IonicContact OD2-NH1 2.89Å; D96-R114 PolarHBondContact OD2-NH1 3.18Å | ||
| 115 | S | 88.4 | Confident | 90.5 | Very high | 16 Ų | 16 | 25.2 Ų | 25.2 | 11% | 0.112 | 16% | 0.157 | C | C | . | . | trans | -102.8 | -8.2 | 176.7 | -81.9 | 0 | 0 | 0 | 0 | 114.6 | K24 R45 D111 G113 | K24-S115 VanDerWaalsContact CD-O 3.22Å; K24-S115 WeakPolarHBondContact CD-O 3.16Å; K24-S115 WeakPolarHBondContact CE-O 3.49Å; K24-S115 PolarHBondContact NZ-O 2.82Å; R45-S115 PolarHBondContact NH1-OG 3.09Å; D111-S115 VanDerWaalsContact CG-OG 3.22Å; D111-S115 WeakPolarHBondContact OD2-CB 3.45Å; D111-S115 PolarHBondContact OD2-OG 3.45Å; G113-S115 PolarHBondContact O-N 2.87Å | ||
| 116 | G | 89.5 | Confident | 90.9 | Very high | 18 Ų | 18 | 25.4 Ų | 25.4 | 19% | 0.186 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 78.5 | 139.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K24 D96 | K24-G116 PolarHBondContact NZ-O 3.1Å; K24-G116 VanDerWaalsContact NZ-O 3.15Å; D96-G116 WeakPolarHBondContact OD1-CA 3.44Å |
| 117 | G | 94.1 | Very high | 91.2 | Very high | 31 Ų | 31 | 22.6 Ų | 22.6 | 32% | 0.32 | 14% | 0.139 | S | C | . | . | S | Bend | trans | 72.5 | -165.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q95 D96 Y97 Q119 | Q95-G117 CarbonylContact O-C 3.39Å; Q95-G117 VanDerWaalsContact O-C 3.28Å; Q95-G117 VanDerWaalsContact O-CA 3.3Å; Q95-G117 WeakPolarHBondContact O-CA 3.28Å; D96-G117 WeakPolarHBondContact CA-O 3.35Å; D96-G117 PolarHBondContact OD1-N 2.64Å; Y97-G117 PolarHBondContact N-O 3.02Å; G117-Q119 PolarHBondContact O-N 2.85Å |
| 118 | E | 94.9 | Very high | 91.7 | Very high | 86 Ų | 86 | 22.8 Ų | 22.8 | 40% | 0.402 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 124.2 | 169.1 | -177.2 | 175.7 | 109 | 0 | 0 | 110.4 | Y97 K99 | Y97-E118 HydrophobicContact CE1-CB 3.7Å; Y97-E118 HydrophobicContact CE1-CG 4.17Å; Y97-E118 HydrophobicContact CE2-CB 4.21Å; Y97-E118 HydrophobicContact CE2-CG 3.73Å; Y97-E118 VanDerWaalsContact CZ-CB 3.49Å; Y97-E118 VanDerWaalsContact CZ-CG 3.46Å; Y97-E118 WeakPolarHBondContact OH-CB 3.22Å; Y97-E118 VanDerWaalsContact OH-CD 3.32Å; Y97-E118 WeakPolarHBondContact OH-CG 3.09Å; Y97-E118 PolarHBondContact OH-OE2 2.72Å; K99-E118 HydrophobicContact CB-CG 3.92Å; K99-E118 HydrophobicContact CD-CG 3.93Å; K99-E118 WeakPolarHBondContact CD-OE1 3.44Å; K99-E118 WeakPolarHBondContact CD-OE2 3.49Å; K99-E118 IonicContact NZ-OE1 3.48Å; K99-E118 PolarHBondContact NZ-OE1 2.95Å; K99-E118 IonicContact NZ-OE2 2.9Å; K99-E118 PolarHBondContact NZ-OE2 2.72Å |
| 119 | Q | 94.7 | Very high | 91.7 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119.1 | 176.2 | 174.8 | 174.5 | -19.3 | 0 | 0 | 110.2 | Y97 L98 K99 D111 G113 G117 | Y97-Q119 PolarHBondContact O-N 2.82Å; L98-Q119 CarbonylContact C-O 3.53Å; L98-Q119 WeakPolarHBondContact CA-O 3.4Å; L98-Q119 HydrophobicContact CD2-CB 4.17Å; L98-Q119 HydrophobicContact CD2-CG 3.93Å; K99-Q119 PolarHBondContact N-O 2.88Å; D111-Q119 HydrophobicContact CB-CG 4.04Å; D111-Q119 PolarHBondContact O-NE2 2.79Å; G113-Q119 PolarHBondContact O-NE2 3.44Å; G113-Q119 PolarHBondContact O-OE1 2.9Å; G113-Q119 VanDerWaalsContact O-OE1 3.05Å; G117-Q119 PolarHBondContact O-N 2.85Å |
| 120 | M | 94.6 | Very high | 91.6 | Very high | 74 Ų | 74 | 26.2 Ų | 26.2 | 37% | 0.365 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 137 | 179.7 | -61.1 | 170.7 | 84.6 | 0 | 0 | 111.1 | I22 Y103 F109 | I22-M120 HydrophobicContact CD1-CB 4.49Å; Y103-M120 HydrophobicContact CD1-CE 3.26Å; Y103-M120 HydrophobicContact CD2-CE 4Å; Y103-M120 HydrophobicContact CE1-CE 3.13Å; Y103-M120 HydrophobicContact CE2-CB 4.04Å; Y103-M120 HydrophobicContact CE2-CE 3.89Å; Y103-M120 HydrophobicContact CE2-CG 4.49Å; Y103-M120 HydrophobicContact CG-CE 3.7Å; Y103-M120 VanDerWaalsContact CZ-CE 3.44Å; F109-M120 HydrophobicContact CE2-CB 4.34Å |
| 121 | L | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 113.8 | 167.3 | -170.7 | 166.8 | 0 | 0 | 0 | 107.4 | L98 K99 I100 G101 F109 L123 E136 L137 | L98-L121 HydrophobicContact CD1-CD1 4.15Å; K99-L121 PolarHBondContact O-N 2.82Å; I100-L121 WeakPolarHBondContact CA-O 3.5Å; I100-L121 HydrophobicContact CG1-CB 4.27Å; I100-L121 HydrophobicContact CG2-CD2 4.39Å; G101-L121 PolarHBondContact N-O 3.01Å; G101-L121 VanDerWaalsContact N-O 3.1Å; F109-L121 CarbonylContact O-C 3.6Å; F109-L121 WeakPolarHBondContact O-CA 3.17Å; L121-L123 HydrophobicContact CD2-CD1 3.9Å; L121-L123 HydrophobicContact CD2-CD2 3.95Å; L121-L123 HydrophobicContact CD2-CG 3.5Å; L121-E136 HydrophobicContact CD1-CB 4.44Å; L121-E136 HydrophobicContact CD2-CB 3.9Å; L121-E136 HydrophobicContact CG-CB 4.26Å; L121-L137 HydrophobicContact CD1-CD2 3.89Å |
| 122 | S | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 118.9 | -178.4 | -166.6 | 0 | 0 | 0 | 0 | 110.7 | G101 V107 C108 F109 | G101-S122 WeakPolarHBondContact O-CA 2.97Å; V107-S122 WeakPolarHBondContact O-CB 3.23Å; V107-S122 PolarHBondContact O-OG 2.55Å; C108-S122 WeakPolarHBondContact CA-O 3.45Å; F109-S122 VanDerWaalsContact CZ-CB 3.46Å; F109-S122 PolarHBondContact N-O 3.05Å; F109-S122 PolarHBondContact O-N 2.89Å |
| 123 | L | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 71.2 | 164 | -61 | 169.1 | 0 | 0 | 0 | 107.4 | Y65 I73 I100 G101 L121 C127 V128 V133 E136 | Y65-L123 HydrophobicContact CE1-CB 4.43Å; Y65-L123 VanDerWaalsContact CE1-O 3.28Å; Y65-L123 WeakPolarHBondContact CE1-O 3.37Å; Y65-L123 WeakPolarHBondContact OH-CB 3.4Å; Y65-L123 PolarHBondContact OH-O 2.7Å; I73-L123 HydrophobicContact CD1-CD1 4.04Å; I73-L123 HydrophobicContact CG1-CD1 4.07Å; I100-L123 HydrophobicContact CG2-CD1 3.78Å; I100-L123 HydrophobicContact CG2-CG 4.41Å; G101-L123 PolarHBondContact O-N 3.2Å; L121-L123 HydrophobicContact CD2-CD1 3.9Å; L121-L123 HydrophobicContact CD2-CD2 3.95Å; L121-L123 HydrophobicContact CD2-CG 3.5Å; L123-C127 HydrophobicContact CB-CB 4.26Å; L123-C127 HydrophobicContact CD2-CB 4.29Å; L123-V128 HydrophobicContact CB-CG2 4.16Å; L123-V133 HydrophobicContact CD1-CB 4.44Å; L123-V133 HydrophobicContact CD1-CG1 3.89Å; L123-V133 HydrophobicContact CD1-CG2 4.03Å; L123-V133 HydrophobicContact CD2-CG2 4.2Å; L123-E136 HydrophobicContact CD2-CB 4.05Å; L123-E136 HydrophobicContact CD2-CG 3.87Å |
| 124 | D | 92.5 | Very high | 91.3 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.032 | 18% | 0.181 | C | C | . | . | trans | -69.7 | -176.6 | -179.2 | -140.5 | -64.9 | 0 | 0 | 0 | 113.2 | Y103 G104 V107 G126 C127 | Y103-D124 PolarHBondContact N-OD2 2.88Å; G104-D124 WeakPolarHBondContact CA-OD2 3.13Å; G104-D124 PolarHBondContact N-OD2 3.24Å; V107-D124 WeakPolarHBondContact O-CB 3.39Å; D124-G126 PolarHBondContact O-N 3Å; D124-C127 WeakPolarHBondContact O-CB 3.45Å; D124-C127 PolarHBondContact O-N 3.37Å | ||
| 125 | D | 88.5 | Confident | 91.1 | Very high | 88 Ų | 88 | 32 Ų | 32 | 47% | 0.471 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 126.4 | 174 | -67.6 | -25.8 | 0 | 0 | 0 | 110.6 | K102 S106 C127 | K102-D125 WeakPolarHBondContact CE-OD1 3.39Å; K102-D125 IonicContact NZ-OD1 2.72Å; K102-D125 PolarHBondContact NZ-OD1 3.41Å; S106-D125 WeakPolarHBondContact CA-O 3.33Å; S106-D125 VanDerWaalsContact CB-O 3.26Å; S106-D125 WeakPolarHBondContact CB-O 3.5Å; S106-D125 PolarHBondContact OG-O 2.9Å; D125-C127 VanDerWaalsContact C-N 3.35Å |
| 126 | G | 88 | Confident | 91.3 | Very high | 57 Ų | 57 | 31.4 Ų | 31.4 | 59% | 0.588 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -15.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115 | D124 I129 | D124-G126 PolarHBondContact O-N 3Å; G126-I129 WeakPolarHBondContact O-CD1 3.34Å |
| 127 | C | 90.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -21.8 | 178.7 | -59.3 | 0 | 0 | 0 | 0 | 113.6 | C108 L123 D124 D125 I129 T132 | C108-C127 WeakPolarHBondContact CA-SG 2.91Å; C108-C127 HydrophobicContact CB-CB 3.82Å; C108-C127 WeakPolarHBondContact CB-SG 3.23Å; C108-C127 PolarHBondContact N-SG 3.43Å; C108-C127 VanDerWaalsContact SG-CA 3.58Å; C108-C127 WeakPolarHBondContact SG-CB 3.43Å; C108-C127 CovalentContact SG-SG 2.03Å; C108-C127 PolarHBondContact SG-SG 3.1Å; L123-C127 HydrophobicContact CB-CB 4.26Å; L123-C127 HydrophobicContact CD2-CB 4.29Å; D124-C127 WeakPolarHBondContact O-CB 3.45Å; D124-C127 PolarHBondContact O-N 3.37Å; D125-C127 VanDerWaalsContact C-N 3.35Å; C127-I129 PolarHBondContact O-N 3.24Å; C127-T132 HydrophobicContact CB-CG2 4.26Å; C127-T132 VanDerWaalsContact O-CB 3.3Å; C127-T132 WeakPolarHBondContact O-CB 3.05Å; C127-T132 WeakPolarHBondContact O-CG2 3.46Å |
| 128 | V | 92.8 | Very high | 91.3 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | trans | -79.7 | 61.3 | -175.8 | -164 | 0 | 0 | 0 | 0 | 111.7 | Y65 E69 I72 I73 L123 V133 | Y65-V128 HydrophobicContact CD1-CG2 4.16Å; Y65-V128 HydrophobicContact CE1-CG2 3.78Å; E69-V128 HydrophobicContact CB-CB 4.35Å; E69-V128 HydrophobicContact CB-CG1 3.73Å; E69-V128 HydrophobicContact CB-CG2 4.42Å; E69-V128 HydrophobicContact CG-CB 3.99Å; E69-V128 HydrophobicContact CG-CG1 3.88Å; E69-V128 HydrophobicContact CG-CG2 4.15Å; I72-V128 HydrophobicContact CB-CG1 4.07Å; I72-V128 WeakPolarHBondContact CD1-O 3.37Å; I72-V128 HydrophobicContact CG2-CG1 4.07Å; I73-V128 HydrophobicContact CD1-CG1 4.17Å; I73-V128 HydrophobicContact CG1-CG1 3.91Å; L123-V128 HydrophobicContact CB-CG2 4.16Å; V128-V133 HydrophobicContact CG1-CG2 4.48Å | ||
| 129 | I | 88.9 | Confident | 91.1 | Very high | 64 Ų | 64 | 26.5 Ų | 26.5 | 33% | 0.328 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -121.9 | 135 | 173.4 | -59.5 | 165.4 | 0 | 0 | 0 | 106.7 | M7 G126 C127 R131 T132 V133 | M7-I129 HydrophobicContact CE-CD1 3.57Å; G126-I129 WeakPolarHBondContact O-CD1 3.34Å; C127-I129 PolarHBondContact O-N 3.24Å; I129-R131 VanDerWaalsContact C-N 3.3Å; I129-R131 HydrophobicContact CG2-CG 4.3Å; I129-R131 PolarHBondContact O-N 3.46Å; I129-T132 WeakPolarHBondContact O-CA 3.32Å; I129-T132 WeakPolarHBondContact O-CB 3.07Å; I129-T132 PolarHBondContact O-N 3.34Å; I129-V133 PolarHBondContact O-N 2.71Å |
| 130 | Y | 88.1 | Confident | 91 | Very high | 35 Ų | 35 | 26.2 Ų | 26.2 | 14% | 0.137 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -41.7 | -51.6 | -170.9 | 175.8 | -96 | 0 | 0 | 0 | 114.4 | R75 A76 S79 T132 V133 I134 T172 D173 | R75-Y130 HydrophobicContact CB-CD2 4.43Å; R75-Y130 HydrophobicContact CG-CD2 3.94Å; R75-Y130 HydrophobicContact CG-CE2 3.88Å; A76-Y130 HydrophobicContact CB-CD2 4.16Å; A76-Y130 HydrophobicContact CB-CE2 4.27Å; S79-Y130 WeakPolarHBondContact CB-OH 3.12Å; S79-Y130 PolarHBondContact OG-OH 3.44Å; Y130-T132 PolarHBondContact O-N 2.88Å; Y130-V133 PolarHBondContact O-N 2.84Å; Y130-I134 HydrophobicContact CD1-CG1 4.41Å; Y130-I134 HydrophobicContact CE1-CG1 3.99Å; Y130-I134 HydrophobicContact CE2-CD1 4.31Å; Y130-I134 HydrophobicContact CE2-CG1 4.19Å; Y130-I134 WeakPolarHBondContact O-CG1 3.47Å; Y130-I134 PolarHBondContact O-N 2.89Å; Y130-T172 WeakPolarHBondContact CD1-O 3.49Å; Y130-T172 VanDerWaalsContact CE1-O 3.32Å; Y130-T172 WeakPolarHBondContact CE1-O 3.26Å; Y130-D173 HydrophobicContact CE1-CB 4.26Å; Y130-D173 VanDerWaalsContact OH-CG 3.24Å; Y130-D173 PolarHBondContact OH-OD1 3.02Å; Y130-D173 PolarHBondContact OH-OD2 2.8Å |
| 131 | R | 83.5 | Confident | 90.9 | Very high | 116 Ų | 116 | 22.7 Ų | 22.7 | 44% | 0.438 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -60.3 | -41.5 | 179.8 | 69.3 | -178.3 | -179.1 | -92 | 1.5 | 113.5 | I129 I134 H135 | I129-R131 VanDerWaalsContact C-N 3.3Å; I129-R131 HydrophobicContact CG2-CG 4.3Å; I129-R131 PolarHBondContact O-N 3.46Å; R131-I134 PolarHBondContact O-N 3.38Å; R131-H135 WeakPolarHBondContact O-CB 3.47Å; R131-H135 PolarHBondContact O-N 3.12Å |
| 132 | T | 87.5 | Confident | 90.6 | Very high | 13 Ų | 13 | 22.8 Ų | 22.8 | 8% | 0.08 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.7 | -39.8 | -179.5 | -54.9 | 0 | 0 | 0 | 0 | 109.8 | M7 C108 C127 I129 Y130 H135 E136 | M7-T132 PolarHBondContact SD-OG1 3Å; C108-T132 HydrophobicContact CB-CG2 4.06Å; C127-T132 HydrophobicContact CB-CG2 4.26Å; C127-T132 VanDerWaalsContact O-CB 3.3Å; C127-T132 WeakPolarHBondContact O-CB 3.05Å; C127-T132 WeakPolarHBondContact O-CG2 3.46Å; I129-T132 WeakPolarHBondContact O-CA 3.32Å; I129-T132 WeakPolarHBondContact O-CB 3.07Å; I129-T132 PolarHBondContact O-N 3.34Å; Y130-T132 PolarHBondContact O-N 2.88Å; T132-H135 WeakPolarHBondContact O-CB 3.47Å; T132-H135 PolarHBondContact O-N 2.72Å; T132-E136 WeakPolarHBondContact O-CG 3.38Å; T132-E136 PolarHBondContact O-N 2.7Å |
| 133 | V | 92.5 | Very high | 90 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 174.4 | -175 | 0 | 0 | 0 | 0 | 111.1 | I72 I73 A76 L123 V128 I129 Y130 H135 E136 L137 | I72-V133 HydrophobicContact CG2-CG2 4.3Å; I73-V133 HydrophobicContact CG1-CG1 4.34Å; I73-V133 HydrophobicContact CG1-CG2 4.28Å; I73-V133 HydrophobicContact CG2-CG1 4.48Å; A76-V133 HydrophobicContact CB-CB 3.77Å; A76-V133 HydrophobicContact CB-CG1 3.49Å; A76-V133 VanDerWaalsContact CB-CG1 3.49Å; L123-V133 HydrophobicContact CD1-CB 4.44Å; L123-V133 HydrophobicContact CD1-CG1 3.89Å; L123-V133 HydrophobicContact CD1-CG2 4.03Å; L123-V133 HydrophobicContact CD2-CG2 4.2Å; V128-V133 HydrophobicContact CG1-CG2 4.48Å; I129-V133 PolarHBondContact O-N 2.71Å; Y130-V133 PolarHBondContact O-N 2.84Å; V133-H135 VanDerWaalsContact C-N 3.27Å; V133-H135 PolarHBondContact O-N 3.44Å; V133-E136 PolarHBondContact O-N 3.42Å; V133-L137 HydrophobicContact CG1-CD1 3.82Å; V133-L137 HydrophobicContact CG1-CG 4.14Å; V133-L137 VanDerWaalsContact O-CB 3.31Å; V133-L137 WeakPolarHBondContact O-CB 3.3Å; V133-L137 WeakPolarHBondContact O-CG 3.21Å; V133-L137 PolarHBondContact O-N 2.66Å |
| 134 | I | 90.1 | Very high | 89.2 | Confident | 8 Ų | 8 | 24.6 Ų | 24.6 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.8 | -44.3 | 175.2 | -69.4 | -69.9 | 0 | 0 | 0 | 111.1 | A76 Y80 Y130 R131 M138 F174 | A76-I134 HydrophobicContact CB-CD1 3.8Å; A76-I134 HydrophobicContact CB-CG1 4.01Å; A76-I134 VanDerWaalsContact O-CD1 3.22Å; A76-I134 WeakPolarHBondContact O-CD1 3.48Å; Y80-I134 HydrophobicContact CD2-CD1 4.07Å; Y80-I134 HydrophobicContact CE2-CD1 3.79Å; Y80-I134 HydrophobicContact CE2-CG2 4.48Å; Y80-I134 PolarHBondContact OH-O 2.92Å; Y130-I134 HydrophobicContact CD1-CG1 4.41Å; Y130-I134 HydrophobicContact CE1-CG1 3.99Å; Y130-I134 HydrophobicContact CE2-CD1 4.31Å; Y130-I134 HydrophobicContact CE2-CG1 4.19Å; Y130-I134 WeakPolarHBondContact O-CG1 3.47Å; Y130-I134 PolarHBondContact O-N 2.89Å; R131-I134 PolarHBondContact O-N 3.38Å; I134-M138 WeakPolarHBondContact O-CB 3.4Å; I134-M138 PolarHBondContact O-N 2.79Å; I134-F174 HydrophobicContact CD1-CE2 4.15Å; I134-F174 HydrophobicContact CD1-CZ 4.07Å; I134-F174 HydrophobicContact CG2-CD1 4.29Å; I134-F174 HydrophobicContact CG2-CE1 3.89Å; I134-F174 HydrophobicContact CG2-CZ 4.08Å |
| 135 | H | 88 | Confident | 88.1 | Confident | 40 Ų | 40 | 24.8 Ų | 24.8 | 19% | 0.185 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.9 | -52 | 179.5 | 177.9 | 98.5 | 0 | 0 | 0 | 112.7 | D20 R131 T132 V133 L137 M138 H139 H145 | D20-H135 IonicContact OD2-CD2 3.95Å; D20-H135 IonicContact OD2-CE1 2.73Å; D20-H135 IonicContact OD2-NE2 3.18Å; D20-H135 PolarHBondContact OD2-NE2 3.49Å; R131-H135 WeakPolarHBondContact O-CB 3.47Å; R131-H135 PolarHBondContact O-N 3.12Å; T132-H135 WeakPolarHBondContact O-CB 3.47Å; T132-H135 PolarHBondContact O-N 2.72Å; V133-H135 VanDerWaalsContact C-N 3.27Å; V133-H135 PolarHBondContact O-N 3.44Å; H135-L137 VanDerWaalsContact C-N 3.31Å; H135-L137 PolarHBondContact O-N 3.27Å; H135-M138 WeakPolarHBondContact O-CA 3.41Å; H135-M138 VanDerWaalsContact O-CB 3.27Å; H135-M138 WeakPolarHBondContact O-CB 3.27Å; H135-M138 PolarHBondContact O-N 2.84Å; H135-H139 AromaticContact CD2-CD2 3.82Å; H135-H139 AromaticContact CD2-NE2 3.68Å; H135-H139 AromaticContact CE1-NE2 3.61Å; H135-H139 AromaticContact NE2-CD2 3.62Å; H135-H139 AromaticContact NE2-CE1 3.91Å; H135-H139 AromaticContact NE2-NE2 3Å; H135-H139 PolarHBondContact NE2-NE2 3.21Å; H135-H139 PolarHBondContact O-N 2.98Å; H135-H145 AromaticContact CE1-CD2 3.96Å |
| 136 | E | 92.3 | Very high | 86.6 | Confident | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.019 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.1 | -34 | 179.7 | -62.1 | -54.2 | 155.4 | 0 | 0 | 112.5 | C108 F109 S110 L121 L123 T132 V133 M138 H139 S140 | C108-E136 HydrophobicContact CB-CG 4.19Å; C108-E136 WeakPolarHBondContact CB-OE1 3.44Å; F109-E136 VanDerWaalsContact CA-OE2 3.23Å; F109-E136 WeakPolarHBondContact CA-OE2 3.46Å; S110-E136 VanDerWaalsContact CB-O 3.32Å; S110-E136 WeakPolarHBondContact CB-O 3.22Å; S110-E136 WeakPolarHBondContact CB-OE2 3.46Å; S110-E136 PolarHBondContact N-OE2 3.15Å; S110-E136 VanDerWaalsContact N-OE2 3.16Å; S110-E136 PolarHBondContact OG-O 2.89Å; S110-E136 VanDerWaalsContact OG-O 3.11Å; L121-E136 HydrophobicContact CD1-CB 4.44Å; L121-E136 HydrophobicContact CD2-CB 3.9Å; L121-E136 HydrophobicContact CG-CB 4.26Å; L123-E136 HydrophobicContact CD2-CB 4.05Å; L123-E136 HydrophobicContact CD2-CG 3.87Å; T132-E136 WeakPolarHBondContact O-CG 3.38Å; T132-E136 PolarHBondContact O-N 2.7Å; V133-E136 PolarHBondContact O-N 3.42Å; E136-M138 VanDerWaalsContact C-N 3.31Å; E136-H139 PolarHBondContact O-N 2.79Å; E136-H139 IonicContact OE2-CD2 2.65Å; E136-S140 PolarHBondContact O-N 3.01Å; E136-S140 VanDerWaalsContact O-N 3.1Å |
| 137 | L | 93.9 | Very high | 85 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65 | -36.2 | 170 | -68.6 | 177.7 | 0 | 0 | 0 | 110.9 | A76 M77 Y80 F88 I100 L121 V133 H135 H139 S140 V141 | A76-L137 HydrophobicContact CB-CD1 4.28Å; M77-L137 HydrophobicContact CE-CD2 4.39Å; M77-L137 HydrophobicContact CG-CD1 3.94Å; Y80-L137 HydrophobicContact CD2-CD1 4.3Å; Y80-L137 HydrophobicContact CE2-CB 3.65Å; Y80-L137 HydrophobicContact CE2-CD1 3.99Å; F88-L137 HydrophobicContact CD1-CD2 4.3Å; F88-L137 HydrophobicContact CE1-CD2 3.65Å; F88-L137 HydrophobicContact CE1-CG 4.49Å; F88-L137 HydrophobicContact CE2-CD1 4.17Å; F88-L137 HydrophobicContact CZ-CB 3.91Å; F88-L137 HydrophobicContact CZ-CD1 4.14Å; F88-L137 HydrophobicContact CZ-CD2 3.8Å; F88-L137 HydrophobicContact CZ-CG 4.16Å; I100-L137 HydrophobicContact CD1-CD2 4.46Å; L121-L137 HydrophobicContact CD1-CD2 3.89Å; V133-L137 HydrophobicContact CG1-CD1 3.82Å; V133-L137 HydrophobicContact CG1-CG 4.14Å; V133-L137 VanDerWaalsContact O-CB 3.31Å; V133-L137 WeakPolarHBondContact O-CB 3.3Å; V133-L137 WeakPolarHBondContact O-CG 3.21Å; V133-L137 PolarHBondContact O-N 2.66Å; H135-L137 VanDerWaalsContact C-N 3.31Å; H135-L137 PolarHBondContact O-N 3.27Å; L137-H139 VanDerWaalsContact C-N 3.34Å; L137-H139 PolarHBondContact O-N 3.15Å; L137-S140 WeakPolarHBondContact CA-OG 3.42Å; L137-S140 CarbonylContact O-C 3.28Å; L137-S140 WeakPolarHBondContact O-CA 3.25Å; L137-S140 WeakPolarHBondContact O-CB 3.43Å; L137-S140 PolarHBondContact O-N 3.16Å; L137-S140 VanDerWaalsContact O-N 3.09Å; L137-S140 PolarHBondContact O-OG 3.48Å; L137-V141 VanDerWaalsContact O-CG2 3.28Å; L137-V141 WeakPolarHBondContact O-CG2 3.5Å; L137-V141 PolarHBondContact O-N 3.38Å |
| 138 | M | 90.6 | Very high | 83.2 | Confident | 30 Ų | 30 | 21.5 Ų | 21.5 | 15% | 0.148 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.4 | -40 | 178.8 | -176 | 174.2 | -70.9 | 0 | 0 | 111.2 | Y80 I134 H135 E136 V141 G142 F143 F174 D178 I182 | Y80-M138 WeakPolarHBondContact OH-CA 3.17Å; Y80-M138 WeakPolarHBondContact OH-CB 3.31Å; Y80-M138 PolarHBondContact OH-N 3.46Å; I134-M138 WeakPolarHBondContact O-CB 3.4Å; I134-M138 PolarHBondContact O-N 2.79Å; H135-M138 WeakPolarHBondContact O-CA 3.41Å; H135-M138 VanDerWaalsContact O-CB 3.27Å; H135-M138 WeakPolarHBondContact O-CB 3.27Å; H135-M138 PolarHBondContact O-N 2.84Å; E136-M138 VanDerWaalsContact C-N 3.31Å; M138-V141 PolarHBondContact O-N 2.75Å; M138-G142 PolarHBondContact O-N 3.42Å; M138-F143 HydrophobicContact CG-CB 3.75Å; M138-F143 HydrophobicContact CG-CD2 4.16Å; M138-F143 HydrophobicContact CG-CG 4.21Å; M138-F143 PolarHBondContact O-N 3.4Å; M138-F143 VanDerWaalsContact O-N 3.15Å; M138-F143 HydrophobicContact SD-CB 4.44Å; M138-F174 HydrophobicContact CE-CD1 3.57Å; M138-F174 HydrophobicContact CE-CE1 3.67Å; M138-D178 HydrophobicContact CE-CB 3.74Å; M138-I182 HydrophobicContact CE-CD1 4.35Å |
| 139 | H | 89.9 | Confident | 81.2 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 1% | 0.014 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56 | -51.9 | 167.9 | -72.5 | -30.6 | 0 | 0 | 0 | 111.1 | D20 D111 V112 G113 H135 E136 L137 V141 G142 F143 H145 | D20-H139 IonicContact OD1-NE2 3.31Å; D20-H139 IonicContact OD2-CD2 2.7Å; D20-H139 IonicContact OD2-NE2 3.47Å; D20-H139 PolarHBondContact OD2-NE2 3Å; D111-H139 CarbonylContact O-C 3.56Å; V112-H139 CarbonylContact C-O 3.6Å; V112-H139 VanDerWaalsContact CA-O 3.25Å; V112-H139 WeakPolarHBondContact CA-O 3.38Å; G113-H139 PolarHBondContact N-O 3.4Å; H135-H139 AromaticContact CD2-CD2 3.82Å; H135-H139 AromaticContact CD2-NE2 3.68Å; H135-H139 AromaticContact CE1-NE2 3.61Å; H135-H139 AromaticContact NE2-CD2 3.62Å; H135-H139 AromaticContact NE2-CE1 3.91Å; H135-H139 AromaticContact NE2-NE2 3Å; H135-H139 PolarHBondContact NE2-NE2 3.21Å; H135-H139 PolarHBondContact O-N 2.98Å; E136-H139 PolarHBondContact O-N 2.79Å; E136-H139 IonicContact OE2-CD2 2.65Å; L137-H139 VanDerWaalsContact C-N 3.34Å; L137-H139 PolarHBondContact O-N 3.15Å; H139-V141 PolarHBondContact O-N 3.49Å; H139-G142 WeakPolarHBondContact O-CA 3.22Å; H139-G142 PolarHBondContact O-N 2.96Å; H139-F143 WeakPolarHBondContact CA-O 3.46Å; H139-F143 PolarHBondContact ND1-O 3Å; H139-H145 AromaticContact CE1-CD2 3.41Å; H139-H145 PolarHBondContact CE1-CD2 3.25Å; H139-H145 VanDerWaalsContact CE1-CD2 3.41Å; H139-H145 AromaticContact CE1-NE2 3.55Å; H139-H145 AromaticContact NE2-CD2 3.52Å; H139-H145 AromaticContact NE2-NE2 3.27Å; H139-H145 PolarHBondContact NE2-NE2 3.44Å |
| 140 | S | 93.3 | Very high | 79.3 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60 | -32 | 179.9 | 82.7 | 0 | 0 | 0 | 0 | 113.6 | W52 L98 S110 D111 G113 E136 L137 G142 | W52-S140 PolarHBondContact NE1-O 3.36Å; L98-S140 WeakPolarHBondContact CD1-OG 3.32Å; S110-S140 PolarHBondContact OG-N 2.82Å; D111-S140 WeakPolarHBondContact O-CA 3.49Å; G113-S140 CarbonylContact C-O 3.55Å; G113-S140 WeakPolarHBondContact CA-O 3.27Å; G113-S140 PolarHBondContact N-O 2.99Å; E136-S140 PolarHBondContact O-N 3.01Å; E136-S140 VanDerWaalsContact O-N 3.1Å; L137-S140 WeakPolarHBondContact CA-OG 3.42Å; L137-S140 CarbonylContact O-C 3.28Å; L137-S140 WeakPolarHBondContact O-CA 3.25Å; L137-S140 WeakPolarHBondContact O-CB 3.43Å; L137-S140 PolarHBondContact O-N 3.16Å; L137-S140 VanDerWaalsContact O-N 3.09Å; L137-S140 PolarHBondContact O-OG 3.48Å; S140-G142 VanDerWaalsContact C-N 3.27Å; S140-G142 PolarHBondContact O-N 2.84Å |
| 141 | V | 92.1 | Very high | 77.2 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.3 | -26.5 | 175.6 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | I57 Y80 I86 F88 L137 M138 H139 F143 Y186 | I57-V141 HydrophobicContact CD1-CG2 3.68Å; Y80-V141 HydrophobicContact CD1-CG2 4.43Å; Y80-V141 HydrophobicContact CE1-CG2 3.89Å; I86-V141 HydrophobicContact CD1-CG1 3.98Å; I86-V141 HydrophobicContact CG1-CG1 4.3Å; I86-V141 HydrophobicContact CG2-CG2 4.12Å; F88-V141 HydrophobicContact CZ-CG2 4.08Å; L137-V141 VanDerWaalsContact O-CG2 3.28Å; L137-V141 WeakPolarHBondContact O-CG2 3.5Å; L137-V141 PolarHBondContact O-N 3.38Å; M138-V141 PolarHBondContact O-N 2.75Å; H139-V141 PolarHBondContact O-N 3.49Å; V141-F143 HydrophobicContact CG1-CD2 4.03Å; V141-F143 HydrophobicContact CG1-CE2 3.92Å; V141-Y186 HydrophobicContact CG1-CD2 4.35Å; V141-Y186 HydrophobicContact CG1-CE2 3.54Å; V141-Y186 WeakPolarHBondContact O-CE2 3.39Å; V141-Y186 PolarHBondContact O-OH 3.11Å |
| 142 | G | 88.4 | Confident | 75.3 | Confident | 2 Ų | 2 | 21.6 Ų | 21.6 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 129.1 | 12.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G44 R45 V112 G113 M138 H139 S140 | G44-G142 CarbonylContact C-O 3.38Å; G44-G142 WeakPolarHBondContact CA-O 3.23Å; R45-G142 PolarHBondContact N-O 3.36Å; V112-G142 VanDerWaalsContact CG1-C 3.41Å; G113-G142 VanDerWaalsContact CA-CA 3.48Å; M138-G142 PolarHBondContact O-N 3.42Å; H139-G142 WeakPolarHBondContact O-CA 3.22Å; H139-G142 PolarHBondContact O-N 2.96Å; S140-G142 VanDerWaalsContact C-N 3.27Å; S140-G142 PolarHBondContact O-N 2.84Å |
| 143 | F | 83.9 | Confident | 73.4 | Confident | 9 Ų | 9 | 25.7 Ų | 25.7 | 4% | 0.039 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -102.7 | 131.1 | -178.2 | -69.7 | -83.4 | 0 | 0 | 0 | 112.1 | T43 M138 H139 V141 K181 I182 M185 | T43-F143 CarbonylContact O-C 3.54Å; T43-F143 WeakPolarHBondContact O-CA 3.22Å; M138-F143 HydrophobicContact CG-CB 3.75Å; M138-F143 HydrophobicContact CG-CD2 4.16Å; M138-F143 HydrophobicContact CG-CG 4.21Å; M138-F143 PolarHBondContact O-N 3.4Å; M138-F143 VanDerWaalsContact O-N 3.15Å; M138-F143 HydrophobicContact SD-CB 4.44Å; H139-F143 WeakPolarHBondContact CA-O 3.46Å; H139-F143 PolarHBondContact ND1-O 3Å; V141-F143 HydrophobicContact CG1-CD2 4.03Å; V141-F143 HydrophobicContact CG1-CE2 3.92Å; F143-K181 HydrophobicContact CE1-CB 3.69Å; F143-K181 HydrophobicContact CZ-CB 3.99Å; F143-I182 HydrophobicContact CD2-CG1 4.13Å; F143-I182 HydrophobicContact CE2-CB 4.21Å; F143-I182 HydrophobicContact CE2-CG1 3.44Å; F143-I182 VanDerWaalsContact CE2-CG1 3.44Å; F143-I182 HydrophobicContact CZ-CB 4.43Å; F143-I182 HydrophobicContact CZ-CG1 3.92Å; F143-M185 HydrophobicContact CD1-CE 4.14Å; F143-M185 HydrophobicContact CD2-CE 4.31Å; F143-M185 HydrophobicContact CE1-CE 3.52Å; F143-M185 HydrophobicContact CE2-CE 3.73Å; F143-M185 HydrophobicContact CE2-SD 3.84Å; F143-M185 HydrophobicContact CG-CE 4.49Å; F143-M185 HydrophobicContact CZ-CB 4.08Å; F143-M185 HydrophobicContact CZ-CE 3.3Å; F143-M185 HydrophobicContact CZ-SD 3.84Å |
| 144 | W | 77.2 | Confident | 71.4 | Confident | 29 Ų | 29 | 30.3 Ų | 30.3 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | trans | -73.2 | 174.7 | 166.1 | -62.8 | 103.2 | 0 | 0 | 0 | 110.5 | Y17 I21 A25 K29 T43 V112 E148 | Y17-W144 HydrophobicContact CD1-CZ3 4.31Å; Y17-W144 HydrophobicContact CE1-CE3 4.42Å; Y17-W144 HydrophobicContact CE1-CZ3 4.4Å; I21-W144 HydrophobicContact CD1-CE3 3.71Å; I21-W144 HydrophobicContact CD1-CZ3 4.1Å; I21-W144 HydrophobicContact CG2-CZ3 3.91Å; A25-W144 HydrophobicContact CB-CH2 3.49Å; A25-W144 VanDerWaalsContact CB-CH2 3.49Å; A25-W144 HydrophobicContact CB-CZ2 3.89Å; A25-W144 HydrophobicContact CB-CZ3 4.43Å; K29-W144 HydrophobicContact CB-CH2 3.94Å; K29-W144 HydrophobicContact CB-CZ3 4.4Å; K29-W144 HydrophobicContact CD-CD2 4.2Å; K29-W144 HydrophobicContact CD-CE3 3.74Å; K29-W144 HydrophobicContact CD-CH2 3.6Å; K29-W144 HydrophobicContact CD-CZ2 4.04Å; K29-W144 HydrophobicContact CD-CZ3 3.42Å; K29-W144 VanDerWaalsContact CD-CZ3 3.42Å; K29-W144 HydrophobicContact CG-CH2 4.4Å; T43-W144 VanDerWaalsContact O-CD1 3.23Å; T43-W144 PolarHBondContact O-N 3.29Å; V112-W144 HydrophobicContact CB-CD2 4.32Å; V112-W144 HydrophobicContact CB-CE3 4.38Å; V112-W144 HydrophobicContact CB-CH2 4.16Å; V112-W144 HydrophobicContact CB-CZ2 4.11Å; V112-W144 HydrophobicContact CB-CZ3 4.3Å; V112-W144 HydrophobicContact CG1-CD2 4Å; V112-W144 HydrophobicContact CG1-CG 4.29Å; V112-W144 HydrophobicContact CG1-CZ2 4.22Å; V112-W144 HydrophobicContact CG2-CD2 4Å; V112-W144 HydrophobicContact CG2-CE3 3.68Å; V112-W144 HydrophobicContact CG2-CH2 4.06Å; V112-W144 HydrophobicContact CG2-CZ2 4.39Å; V112-W144 HydrophobicContact CG2-CZ3 3.71Å; W144-E148 HydrophobicContact CB-CB 4.44Å; W144-E148 WeakPolarHBondContact CB-OE2 3.4Å | ||
| 145 | H | 69.7 | Low | 69.2 | Low | 10 Ų | 10 | 38.1 Ų | 38.1 | 5% | 0.046 | 19% | 0.187 | C | C | . | . | trans | -61 | 144 | 171.8 | -56.7 | 118.5 | 0 | 0 | 0 | 111.3 | R18 D20 I21 H135 H139 H147 E148 | R18-H145 WeakPolarHBondContact CD-ND1 3.45Å; D20-H145 IonicContact OD1-CE1 2.92Å; D20-H145 PolarHBondContact OD1-CE1 2.88Å; D20-H145 IonicContact OD1-NE2 2.64Å; D20-H145 PolarHBondContact OD1-NE2 3.41Å; D20-H145 IonicContact OD2-CD2 3.87Å; D20-H145 IonicContact OD2-CE1 2.65Å; D20-H145 IonicContact OD2-NE2 3.76Å; D20-H145 PolarHBondContact OD2-NE2 3.03Å; I21-H145 VanDerWaalsContact CD1-CE1 3.49Å; I21-H145 WeakPolarHBondContact CD1-CE1 3.32Å; H135-H145 AromaticContact CE1-CD2 3.96Å; H139-H145 AromaticContact CE1-CD2 3.41Å; H139-H145 PolarHBondContact CE1-CD2 3.25Å; H139-H145 VanDerWaalsContact CE1-CD2 3.41Å; H139-H145 AromaticContact CE1-NE2 3.55Å; H139-H145 AromaticContact NE2-CD2 3.52Å; H139-H145 AromaticContact NE2-NE2 3.27Å; H139-H145 PolarHBondContact NE2-NE2 3.44Å; H145-H147 WeakPolarHBondContact CB-CE1 3.36Å; H145-H147 WeakPolarHBondContact CB-ND1 3.39Å; H145-H147 AromaticContact CG-CE1 3.51Å; H145-H147 AromaticContact ND1-CE1 3.66Å; H145-H147 PolarHBondContact O-N 2.97Å; H145-H147 VanDerWaalsContact O-N 3.12Å; H145-E148 HydrophobicContact CB-CG 4.24Å; H145-E148 WeakPolarHBondContact O-CB 3.43Å; H145-E148 PolarHBondContact O-N 3.02Å | ||
| 146 | E | 57.1 | Low | 66.8 | Low | 32 Ų | 32 | 38 Ų | 38 | 15% | 0.15 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -64.3 | -20.3 | -175.7 | -175.9 | 77.7 | 177.8 | 0 | 0 | 112.1 | E148 R149 M168 K181 | E146-E148 PolarHBondContact O-N 2.73Å; E146-R149 VanDerWaalsContact O-CB 3.3Å; E146-R149 WeakPolarHBondContact O-CB 3.45Å; E146-R149 WeakPolarHBondContact O-CD 2.99Å; E146-R149 WeakPolarHBondContact O-CG 3.07Å; E146-R149 PolarHBondContact O-N 3.38Å; E146-R149 VanDerWaalsContact OE1-CD 3.3Å; E146-R149 WeakPolarHBondContact OE1-CD 3.21Å; E146-R149 IonicContact OE1-CZ 3.54Å; E146-R149 IonicContact OE1-NE 3.49Å; E146-R149 IonicContact OE1-NH1 3.57Å; E146-R149 PolarHBondContact OE1-NH1 3.15Å; E146-M168 VanDerWaalsContact C-SD 3.59Å; E146-M168 HydrophobicContact CB-CB 4.19Å; E146-M168 HydrophobicContact CB-CE 3.5Å; E146-M168 HydrophobicContact CG-CE 3.17Å; E146-M168 WeakPolarHBondContact O-CE 3.43Å; E146-K181 IonicContact OE1-NZ 3.56Å; E146-K181 PolarHBondContact OE1-NZ 2.54Å; E146-K181 IonicContact OE2-NZ 2.7Å; E146-K181 PolarHBondContact OE2-NZ 2.74Å |
| 147 | H | 54.4 | Low | 64 | Low | 19 Ų | 19 | 46.9 Ų | 46.9 | 9% | 0.088 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -73.9 | -6.7 | 172.3 | 59.1 | -77.4 | 0 | 0 | 0 | 114.7 | R18 H145 R149 R152 M168 | R18-H147 WeakPolarHBondContact CD-NE2 3.36Å; R18-H147 VanDerWaalsContact CZ-NE2 3.27Å; R18-H147 PolarHBondContact NE-NE2 2.79Å; R18-H147 PolarHBondContact NH1-CD2 2.79Å; R18-H147 PolarHBondContact NH1-NE2 3.36Å; H145-H147 WeakPolarHBondContact CB-CE1 3.36Å; H145-H147 WeakPolarHBondContact CB-ND1 3.39Å; H145-H147 AromaticContact CG-CE1 3.51Å; H145-H147 AromaticContact ND1-CE1 3.66Å; H145-H147 PolarHBondContact O-N 2.97Å; H145-H147 VanDerWaalsContact O-N 3.12Å; H147-R149 PolarHBondContact O-N 2.95Å; H147-R152 WeakPolarHBondContact O-CG 3.47Å; H147-M168 WeakPolarHBondContact CA-SD 3.41Å; H147-M168 HydrophobicContact CB-CB 3.89Å; H147-M168 HydrophobicContact CB-CG 3.52Å; H147-M168 HydrophobicContact CB-SD 3.16Å; H147-M168 WeakPolarHBondContact CB-SD 3.38Å; H147-M168 PolarHBondContact N-SD 3.34Å |
| 148 | E | 54.1 | Low | 61.5 | Low | 24 Ų | 24 | 50.6 Ų | 50.6 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -89.8 | 11.9 | 174 | -49.8 | -162.9 | 102.4 | 0 | 0 | 111.7 | Y17 R18 K29 W144 H145 E146 | Y17-E148 WeakPolarHBondContact CE1-OE1 3.23Å; Y17-E148 VanDerWaalsContact CZ-OE1 3.26Å; Y17-E148 PolarHBondContact OH-OE1 2.7Å; R18-E148 IonicContact CZ-OE1 3.7Å; R18-E148 VanDerWaalsContact NE-CD 3.32Å; R18-E148 IonicContact NE-OE1 3.25Å; R18-E148 PolarHBondContact NE-OE1 3.01Å; R18-E148 IonicContact NH2-OE1 2.88Å; R18-E148 PolarHBondContact NH2-OE1 3.19Å; K29-E148 WeakPolarHBondContact CE-OE1 3.35Å; K29-E148 IonicContact NZ-OE1 2.88Å; K29-E148 PolarHBondContact NZ-OE1 3.4Å; K29-E148 IonicContact NZ-OE2 2.79Å; K29-E148 PolarHBondContact NZ-OE2 3.23Å; W144-E148 HydrophobicContact CB-CB 4.44Å; W144-E148 WeakPolarHBondContact CB-OE2 3.4Å; H145-E148 HydrophobicContact CB-CG 4.24Å; H145-E148 WeakPolarHBondContact O-CB 3.43Å; H145-E148 PolarHBondContact O-N 3.02Å; E146-E148 PolarHBondContact O-N 2.73Å |
| 149 | R | 50.5 | Low | 58.7 | Low | 61 Ų | 61 | 51.3 Ų | 51.3 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | trans | -57 | 138.1 | 165 | -85.9 | 175.8 | 82.9 | 162.4 | -7.6 | 111.2 | T43 E146 H147 D151 R152 | T43-R149 HydrophobicContact CG2-CB 4.29Å; T43-R149 HydrophobicContact CG2-CG 3.29Å; E146-R149 VanDerWaalsContact O-CB 3.3Å; E146-R149 WeakPolarHBondContact O-CB 3.45Å; E146-R149 WeakPolarHBondContact O-CD 2.99Å; E146-R149 WeakPolarHBondContact O-CG 3.07Å; E146-R149 PolarHBondContact O-N 3.38Å; E146-R149 VanDerWaalsContact OE1-CD 3.3Å; E146-R149 WeakPolarHBondContact OE1-CD 3.21Å; E146-R149 IonicContact OE1-CZ 3.54Å; E146-R149 IonicContact OE1-NE 3.49Å; E146-R149 IonicContact OE1-NH1 3.57Å; E146-R149 PolarHBondContact OE1-NH1 3.15Å; H147-R149 PolarHBondContact O-N 2.95Å; R149-D151 VanDerWaalsContact C-N 3.31Å; R149-D151 VanDerWaalsContact CB-OD1 3.31Å; R149-D151 WeakPolarHBondContact CB-OD1 3.37Å; R149-D151 IonicContact CZ-OD1 4Å; R149-D151 IonicContact CZ-OD2 2.86Å; R149-D151 IonicContact NE-OD1 2.6Å; R149-D151 PolarHBondContact NE-OD1 3.23Å; R149-D151 IonicContact NE-OD2 3.28Å; R149-D151 IonicContact NH2-OD1 3.63Å; R149-D151 PolarHBondContact NH2-OD1 3.34Å; R149-D151 IonicContact NH2-OD2 3.84Å; R149-D151 PolarHBondContact NH2-OD2 3.47Å; R149-R152 HydrophobicContact CB-CB 3.91Å; R149-R152 WeakPolarHBondContact O-CB 3.23Å; R149-R152 PolarHBondContact O-N 3.2Å | ||
| 150 | P | 48.6 | Very low | 56.2 | Low | 59 Ų | 59 | 62.6 Ų | 62.6 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -33.9 | 171.9 | -6 | 16.8 | 0 | 0 | 0 | 112.6 | V40 A41 R152 | V40-P150 HydrophobicContact CG1-CB 4.48Å; V40-P150 HydrophobicContact CG1-CG 3.76Å; A41-P150 VanDerWaalsContact C-CG 3.47Å; A41-P150 HydrophobicContact CB-CB 4.3Å; A41-P150 HydrophobicContact CB-CG 3.77Å; A41-P150 WeakPolarHBondContact O-CD 3.42Å; A41-P150 WeakPolarHBondContact O-CG 3.45Å; P150-R152 PolarHBondContact O-N 3.1Å |
| 151 | D | 44.7 | Very low | 53.5 | Low | 50 Ų | 50 | 68.9 Ų | 68.9 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 7.4 | 178.6 | 66.4 | -28.9 | 0 | 0 | 0 | 111.6 | R149 D153 S154 Y155 | R149-D151 VanDerWaalsContact C-N 3.31Å; R149-D151 VanDerWaalsContact CB-OD1 3.31Å; R149-D151 WeakPolarHBondContact CB-OD1 3.37Å; R149-D151 IonicContact CZ-OD1 4Å; R149-D151 IonicContact CZ-OD2 2.86Å; R149-D151 IonicContact NE-OD1 2.6Å; R149-D151 PolarHBondContact NE-OD1 3.23Å; R149-D151 IonicContact NE-OD2 3.28Å; R149-D151 IonicContact NH2-OD1 3.63Å; R149-D151 PolarHBondContact NH2-OD1 3.34Å; R149-D151 IonicContact NH2-OD2 3.84Å; R149-D151 PolarHBondContact NH2-OD2 3.47Å; D151-D153 PolarHBondContact O-N 2.8Å; D151-D153 VanDerWaalsContact O-N 3.16Å; D151-S154 WeakPolarHBondContact O-CA 3.3Å; D151-S154 WeakPolarHBondContact O-CB 3.39Å; D151-S154 PolarHBondContact O-N 3.13Å; D151-Y155 HydrophobicContact CB-CD2 4.02Å; D151-Y155 HydrophobicContact CB-CE2 3.97Å; D151-Y155 VanDerWaalsContact O-CD2 3.28Å; D151-Y155 WeakPolarHBondContact O-CD2 3.38Å; D151-Y155 PolarHBondContact O-N 2.94Å; D151-Y155 WeakPolarHBondContact OD2-CD2 3.09Å; D151-Y155 WeakPolarHBondContact OD2-CE2 3.37Å |
| 152 | R | 42.8 | Very low | 50.8 | Low | 61 Ų | 61 | 75.5 Ų | 75.5 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -52.7 | -38.5 | 177.5 | 173.8 | -102.9 | 165.1 | 178.1 | 5.2 | 111 | H147 R149 P150 S154 Y155 T156 | H147-R152 WeakPolarHBondContact O-CG 3.47Å; R149-R152 HydrophobicContact CB-CB 3.91Å; R149-R152 WeakPolarHBondContact O-CB 3.23Å; R149-R152 PolarHBondContact O-N 3.2Å; P150-R152 PolarHBondContact O-N 3.1Å; R152-S154 PolarHBondContact O-N 2.94Å; R152-Y155 PolarHBondContact O-N 3.44Å; R152-T156 WeakPolarHBondContact CD-OG1 3.27Å; R152-T156 HydrophobicContact CG-CG2 4Å; R152-T156 VanDerWaalsContact CG-OG1 3.3Å; R152-T156 WeakPolarHBondContact CG-OG1 3.31Å; R152-T156 PolarHBondContact NE-OG1 2.87Å; R152-T156 WeakPolarHBondContact O-CA 3.18Å; R152-T156 WeakPolarHBondContact O-CB 3.49Å; R152-T156 PolarHBondContact O-N 2.76Å; R152-T156 PolarHBondContact O-OG1 2.83Å |
| 153 | D | 48.2 | Very low | 48.6 | Very low | 98 Ų | 98 | 79.3 Ų | 79.3 | 52% | 0.524 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.6 | -16.6 | 179.9 | -62.2 | -19.3 | 0 | 0 | 0 | 113 | D151 I158 | D151-D153 PolarHBondContact O-N 2.8Å; D151-D153 VanDerWaalsContact O-N 3.16Å; D153-I158 HydrophobicContact CB-CD1 4.14Å; D153-I158 WeakPolarHBondContact OD1-CD1 3.09Å |
| 154 | S | 50.3 | Low | 46.3 | Very low | 97 Ų | 97 | 84.8 Ų | 84.8 | 68% | 0.678 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -90.6 | -15.6 | 175.5 | -50.1 | 0 | 0 | 0 | 0 | 113.7 | D151 R152 | D151-S154 WeakPolarHBondContact O-CA 3.3Å; D151-S154 WeakPolarHBondContact O-CB 3.39Å; D151-S154 PolarHBondContact O-N 3.13Å; R152-S154 PolarHBondContact O-N 2.94Å |
| 155 | Y | 42.9 | Very low | 44.3 | Very low | 172 Ų | 172 | 88.2 Ų | 88.2 | 68% | 0.675 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -127.8 | -12.3 | -175.8 | -64.3 | -77.2 | 0 | 0 | 0 | 114.5 | D151 R152 | D151-Y155 HydrophobicContact CB-CD2 4.02Å; D151-Y155 HydrophobicContact CB-CE2 3.97Å; D151-Y155 VanDerWaalsContact O-CD2 3.28Å; D151-Y155 WeakPolarHBondContact O-CD2 3.38Å; D151-Y155 PolarHBondContact O-N 2.94Å; D151-Y155 WeakPolarHBondContact OD2-CD2 3.09Å; D151-Y155 WeakPolarHBondContact OD2-CE2 3.37Å; R152-Y155 PolarHBondContact O-N 3.44Å |
| 156 | T | 38 | Very low | 42.7 | Very low | 38 Ų | 38 | 91.6 Ų | 91.6 | 23% | 0.233 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -111.7 | 115 | 168.2 | 69.1 | 0 | 0 | 0 | 0 | 106 | R152 I158 M168 | R152-T156 WeakPolarHBondContact CD-OG1 3.27Å; R152-T156 HydrophobicContact CG-CG2 4Å; R152-T156 VanDerWaalsContact CG-OG1 3.3Å; R152-T156 WeakPolarHBondContact CG-OG1 3.31Å; R152-T156 PolarHBondContact NE-OG1 2.87Å; R152-T156 WeakPolarHBondContact O-CA 3.18Å; R152-T156 WeakPolarHBondContact O-CB 3.49Å; R152-T156 PolarHBondContact O-N 2.76Å; R152-T156 PolarHBondContact O-OG1 2.83Å; T156-I158 PolarHBondContact O-N 2.89Å; T156-M168 HydrophobicContact CG2-SD 4.08Å |
| 157 | M | 33.5 | Very low | 41.9 | Very low | 191 Ų | 191 | 93.4 Ų | 93.4 | 94% | 0.941 | 51% | 0.506 | S | S | * | . | trans | -55.8 | 97.8 | 157.3 | -74.5 | 174.1 | 66.2 | 0 | 0 | 105.1 | A159 | M157-A159 PolarHBondContact O-N 2.93Š| ||
| 158 | I | 40.6 | Very low | 41 | Very low | 78 Ų | 78 | 94.9 Ų | 94.9 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | trans | -45.4 | 120.8 | 169.4 | -57.9 | -178.9 | 0 | 0 | 0 | 104.6 | D153 T156 R160 | D153-I158 HydrophobicContact CB-CD1 4.14Å; D153-I158 WeakPolarHBondContact OD1-CD1 3.09Å; T156-I158 PolarHBondContact O-N 2.89Å; I158-R160 PolarHBondContact O-N 3.29Å | ||
| 159 | A | 33.1 | Very low | 40.3 | Very low | 45 Ų | 45 | 95.9 Ų | 95.9 | 37% | 0.372 | 53% | 0.53 | S | S | . | . | trans | -48 | 88.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | M157 Q161 M164 | M157-A159 PolarHBondContact O-N 2.93Å; A159-Q161 PolarHBondContact O-N 2.81Å; A159-M164 HydrophobicContact CB-CB 3.44Å; A159-M164 VanDerWaalsContact CB-CB 3.44Å; A159-M164 HydrophobicContact CB-SD 4.49Å | ||
| 160 | R | 38 | Very low | 40.1 | Very low | 240 Ų | 240 | 96.8 Ų | 96.8 | 91% | 0.906 | 54% | 0.543 | S | S | * | . | trans | -80.1 | 8.3 | 165.6 | -79.6 | -173.4 | 171 | -175 | -1.8 | 110.7 | I158 | I158-R160 PolarHBondContact O-N 3.29Š| ||
| 161 | Q | 36.3 | Very low | 40.3 | Very low | 131 Ų | 131 | 96.4 Ų | 96.4 | 61% | 0.612 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -98.5 | 125.1 | 171.2 | -72.6 | -167.1 | -28 | 0 | 0 | 110.3 | A159 G163 M164 | A159-Q161 PolarHBondContact O-N 2.81Å; Q161-G163 PolarHBondContact O-N 2.88Å; Q161-G163 VanDerWaalsContact O-N 3.14Å; Q161-M164 PolarHBondContact O-N 3.19Å |
| 162 | P | 34.6 | Very low | 41.1 | Very low | 139 Ų | 139 | 99.6 Ų | 99.6 | 90% | 0.903 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | 118.7 | 164.2 | -20.5 | 31.6 | 0 | 0 | 0 | 109.1 | ||
| 163 | G | 43.1 | Very low | 42.4 | Very low | 82 Ų | 82 | 98.4 Ų | 98.4 | 85% | 0.845 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 119.6 | -5.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 117 | Q161 | Q161-G163 PolarHBondContact O-N 2.88Å; Q161-G163 VanDerWaalsContact O-N 3.14Å |
| 164 | M | 34.9 | Very low | 43.5 | Very low | 124 Ų | 124 | 94.8 Ų | 94.8 | 61% | 0.611 | 54% | 0.54 | S | S | * | . | trans | -105 | 127.6 | 176 | -77.5 | -167.9 | -170.4 | 0 | 0 | 112.9 | A159 Q161 | A159-M164 HydrophobicContact CB-CB 3.44Å; A159-M164 VanDerWaalsContact CB-CB 3.44Å; A159-M164 HydrophobicContact CB-SD 4.49Å; Q161-M164 PolarHBondContact O-N 3.19Å | ||
| 165 | T | 34.7 | Very low | 44.6 | Very low | 102 Ų | 102 | 91.8 Ų | 91.8 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | trans | -92 | 152 | -178.6 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | V167 | T165-V167 PolarHBondContact O-N 2.81Å; T165-V167 VanDerWaalsContact O-N 3.14Å | ||
| 166 | S | 36.4 | Very low | 45.9 | Very low | 81 Ų | 81 | 87.9 Ų | 87.9 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | trans | -83.4 | 61.5 | -168.7 | -39.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 167 | V | 40.4 | Very low | 47.5 | Very low | 70 Ų | 70 | 87.2 Ų | 87.2 | 42% | 0.424 | 51% | 0.512 | S | S | . | . | trans | -129.7 | 131.2 | -168.8 | -169.6 | 0 | 0 | 0 | 0 | 115.3 | Q6 T165 | Q6-V167 HydrophobicContact CB-CG1 4.14Å; Q6-V167 HydrophobicContact CG-CB 4.42Å; Q6-V167 HydrophobicContact CG-CG1 3.82Å; Q6-V167 HydrophobicContact CG-CG2 4.47Å; T165-V167 PolarHBondContact O-N 2.81Å; T165-V167 VanDerWaalsContact O-N 3.14Å | ||
| 168 | M | 35.4 | Very low | 49.3 | Very low | 50 Ų | 50 | 79.1 Ų | 79.1 | 25% | 0.246 | 47% | 0.473 | C | S | . | . | trans | -121.9 | 158.2 | -178.4 | -75.4 | -177.2 | 55.7 | 0 | 0 | 112.8 | E146 H147 T156 | E146-M168 VanDerWaalsContact C-SD 3.59Å; E146-M168 HydrophobicContact CB-CB 4.19Å; E146-M168 HydrophobicContact CB-CE 3.5Å; E146-M168 HydrophobicContact CG-CE 3.17Å; E146-M168 WeakPolarHBondContact O-CE 3.43Å; H147-M168 WeakPolarHBondContact CA-SD 3.41Å; H147-M168 HydrophobicContact CB-CB 3.89Å; H147-M168 HydrophobicContact CB-CG 3.52Å; H147-M168 HydrophobicContact CB-SD 3.16Å; H147-M168 WeakPolarHBondContact CB-SD 3.38Å; H147-M168 PolarHBondContact N-SD 3.34Å; T156-M168 HydrophobicContact CG2-SD 4.08Å | ||
| 169 | G | 40.2 | Very low | 51.1 | Low | 44 Ų | 44 | 77.3 Ų | 77.3 | 45% | 0.454 | 46% | 0.463 | S | S | . | . | trans | 122.5 | 8.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | S171 | G169-S171 VanDerWaalsContact C-N 3.3Å; G169-S171 PolarHBondContact O-N 2.93Å | ||
| 170 | T | 45.8 | Very low | 53.2 | Low | 81 Ų | 81 | 82.5 Ų | 82.5 | 50% | 0.497 | 47% | 0.473 | S | S | . | . | trans | -85.8 | 42.8 | -168.3 | 62.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 171 | S | 52.5 | Low | 55.1 | Low | 50 Ų | 50 | 73 Ų | 73 | 35% | 0.35 | 44% | 0.439 | S | S | . | . | trans | -81.2 | 139.3 | 173.7 | -171 | 0 | 0 | 0 | 0 | 110.3 | G169 D173 | G169-S171 VanDerWaalsContact C-N 3.3Å; G169-S171 PolarHBondContact O-N 2.93Å; S171-D173 WeakPolarHBondContact CB-O 3.38Å; S171-D173 PolarHBondContact O-N 2.53Å; S171-D173 PolarHBondContact OG-O 2.9Å | ||
| 172 | T | 61.3 | Low | 57.4 | Low | 117 Ų | 117 | 66.8 Ų | 66.8 | 72% | 0.718 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -64.6 | -17.5 | 176.2 | 51.1 | 0 | 0 | 0 | 0 | 112.5 | Y130 | Y130-T172 WeakPolarHBondContact CD1-O 3.49Å; Y130-T172 VanDerWaalsContact CE1-O 3.32Å; Y130-T172 WeakPolarHBondContact CE1-O 3.26Å |
| 173 | D | 69.5 | Low | 59.7 | Low | 37 Ų | 37 | 61 Ų | 61 | 20% | 0.198 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -159.5 | -170.9 | -179.7 | -154.2 | -6.4 | 0 | 0 | 0 | 109.2 | S79 R83 Y130 S171 S175 | S79-D173 PolarHBondContact OG-OD1 3.47Å; R83-D173 IonicContact CZ-OD2 3.79Å; R83-D173 VanDerWaalsContact CZ-OD2 3.25Å; R83-D173 IonicContact NH1-OD1 2.72Å; R83-D173 PolarHBondContact NH1-OD1 2.03Å; R83-D173 IonicContact NH1-OD2 3.75Å; R83-D173 PolarHBondContact NH1-OD2 3.1Å; R83-D173 IonicContact NH2-OD2 2.82Å; R83-D173 PolarHBondContact NH2-OD2 2.87Å; Y130-D173 HydrophobicContact CE1-CB 4.26Å; Y130-D173 VanDerWaalsContact OH-CG 3.24Å; Y130-D173 PolarHBondContact OH-OD1 3.02Å; Y130-D173 PolarHBondContact OH-OD2 2.8Å; S171-D173 WeakPolarHBondContact CB-O 3.38Å; S171-D173 PolarHBondContact O-N 2.53Å; S171-D173 PolarHBondContact OG-O 2.9Å; D173-S175 PolarHBondContact O-N 3.12Å |
| 174 | F | 72 | Confident | 61.7 | Low | 21 Ų | 21 | 65.4 Ų | 65.4 | 9% | 0.092 | 37% | 0.367 | C | S | . | . | trans | -60.3 | 138.1 | 172.4 | -59.5 | -73.3 | 0 | 0 | 0 | 113.3 | S79 Y80 I134 M138 D178 L179 I182 | S79-F174 VanDerWaalsContact OG-CE2 3.23Å; S79-F174 WeakPolarHBondContact OG-CE2 3.46Å; Y80-F174 HydrophobicContact CD1-CE1 4.11Å; Y80-F174 HydrophobicContact CD1-CE2 4.5Å; Y80-F174 AromaticContact CD1-CZ 3.53Å; Y80-F174 HydrophobicContact CD1-CZ 3.53Å; Y80-F174 HydrophobicContact CD2-CE2 4.36Å; Y80-F174 AromaticContact CD2-CZ 3.63Å; Y80-F174 HydrophobicContact CD2-CZ 3.63Å; Y80-F174 AromaticContact CE1-CE1 3.54Å; Y80-F174 HydrophobicContact CE1-CE1 3.54Å; Y80-F174 AromaticContact CE1-CZ 3.39Å; Y80-F174 HydrophobicContact CE1-CZ 3.39Å; Y80-F174 HydrophobicContact CE2-CE1 4.09Å; Y80-F174 AromaticContact CE2-CZ 3.49Å; Y80-F174 HydrophobicContact CE2-CZ 3.49Å; Y80-F174 VanDerWaalsContact CE2-CZ 3.49Å; Y80-F174 HydrophobicContact CG-CE2 4.33Å; Y80-F174 AromaticContact CG-CZ 3.63Å; Y80-F174 HydrophobicContact CG-CZ 3.63Å; Y80-F174 AromaticContact CZ-CE1 3.51Å; Y80-F174 AromaticContact CZ-CZ 3.34Å; I134-F174 HydrophobicContact CD1-CE2 4.15Å; I134-F174 HydrophobicContact CD1-CZ 4.07Å; I134-F174 HydrophobicContact CG2-CD1 4.29Å; I134-F174 HydrophobicContact CG2-CE1 3.89Å; I134-F174 HydrophobicContact CG2-CZ 4.08Å; M138-F174 HydrophobicContact CE-CD1 3.57Å; M138-F174 HydrophobicContact CE-CE1 3.67Å; F174-D178 HydrophobicContact CB-CB 4.38Å; F174-D178 HydrophobicContact CD1-CB 4.18Å; F174-L179 HydrophobicContact CB-CD1 4.31Å; F174-L179 HydrophobicContact CB-CD2 3.68Å; F174-L179 HydrophobicContact CB-CG 3.74Å; F174-L179 HydrophobicContact CD1-CD2 4.19Å; F174-L179 HydrophobicContact CD2-CD2 3.81Å; F174-L179 HydrophobicContact CE2-CD2 4.49Å; F174-L179 HydrophobicContact CG-CD2 3.64Å; F174-L179 HydrophobicContact CG-CG 4.25Å; F174-I182 HydrophobicContact CD1-CD1 4.11Å; F174-I182 HydrophobicContact CE1-CD1 3.81Å | ||
| 175 | S | 73.2 | Confident | 64 | Low | 34 Ų | 34 | 60.3 Ų | 60.3 | 24% | 0.238 | 34% | 0.342 | C | S | . | . | trans | -78.7 | 158.5 | 161.6 | 76 | 0 | 0 | 0 | 0 | 110.8 | D173 S177 D178 L179 | D173-S175 PolarHBondContact O-N 3.12Å; S175-S177 PolarHBondContact O-N 2.97Å; S175-S177 VanDerWaalsContact O-N 3.13Å; S175-S177 PolarHBondContact OG-N 3.05Å; S175-D178 WeakPolarHBondContact CA-OD2 3.4Å; S175-D178 VanDerWaalsContact CB-OD2 3.25Å; S175-D178 WeakPolarHBondContact CB-OD2 3.13Å; S175-D178 PolarHBondContact N-OD2 3.33Å; S175-D178 WeakPolarHBondContact O-CB 3.35Å; S175-D178 PolarHBondContact O-N 3.22Å; S175-D178 PolarHBondContact OG-N 2.84Å; S175-D178 VanDerWaalsContact OG-N 3.15Å; S175-D178 PolarHBondContact OG-OD1 2.97Å; S175-D178 PolarHBondContact OG-OD2 3.38Å; S175-L179 PolarHBondContact O-N 2.85Å; S175-L179 VanDerWaalsContact O-N 3.14Å | ||
| 176 | P | 71 | Confident | 66.5 | Low | 90 Ų | 90 | 56.8 Ų | 56.8 | 58% | 0.584 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -55.6 | -30 | 171.5 | -27.4 | 35.6 | 0 | 0 | 0 | 113.4 | R180 | P176-R180 WeakPolarHBondContact O-CB 3.16Å; P176-R180 VanDerWaalsContact O-CG 3.3Å; P176-R180 WeakPolarHBondContact O-CG 3.28Å; P176-R180 PolarHBondContact O-N 3.45Å; P176-R180 VanDerWaalsContact O-N 3.1Å; P176-R180 PolarHBondContact O-NH1 2.91Å |
| 177 | S | 70.2 | Confident | 68.9 | Low | 24 Ų | 24 | 56.9 Ų | 56.9 | 17% | 0.168 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | S175 R180 K181 | S175-S177 PolarHBondContact O-N 2.97Å; S175-S177 VanDerWaalsContact O-N 3.13Å; S175-S177 PolarHBondContact OG-N 3.05Å; S177-R180 PolarHBondContact O-N 2.8Å; S177-K181 WeakPolarHBondContact O-CB 3.21Å; S177-K181 VanDerWaalsContact O-CG 3.23Å; S177-K181 WeakPolarHBondContact O-CG 3.42Å; S177-K181 PolarHBondContact O-N 3Å |
| 178 | D | 73.1 | Confident | 70.9 | Confident | 22 Ų | 22 | 54 Ų | 54 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 179.3 | -55.5 | -36.5 | 0 | 0 | 0 | 110.7 | M138 F174 S175 R180 K181 I182 | M138-D178 HydrophobicContact CE-CB 3.74Å; F174-D178 HydrophobicContact CB-CB 4.38Å; F174-D178 HydrophobicContact CD1-CB 4.18Å; S175-D178 WeakPolarHBondContact CA-OD2 3.4Å; S175-D178 VanDerWaalsContact CB-OD2 3.25Å; S175-D178 WeakPolarHBondContact CB-OD2 3.13Å; S175-D178 PolarHBondContact N-OD2 3.33Å; S175-D178 WeakPolarHBondContact O-CB 3.35Å; S175-D178 PolarHBondContact O-N 3.22Å; S175-D178 PolarHBondContact OG-N 2.84Å; S175-D178 VanDerWaalsContact OG-N 3.15Å; S175-D178 PolarHBondContact OG-OD1 2.97Å; S175-D178 PolarHBondContact OG-OD2 3.38Å; D178-R180 PolarHBondContact O-N 2.81Å; D178-K181 WeakPolarHBondContact O-CB 3.47Å; D178-K181 PolarHBondContact O-N 3.24Å; D178-I182 WeakPolarHBondContact O-CG1 3.49Å; D178-I182 PolarHBondContact O-N 2.74Å |
| 179 | L | 78.3 | Confident | 72.6 | Confident | 39 Ų | 39 | 57.7 Ų | 57.7 | 20% | 0.204 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 177.6 | -64.7 | 179 | 0 | 0 | 0 | 111.9 | R83 T84 F174 S175 K181 I182 N183 | R83-L179 HydrophobicContact CB-CD1 4.32Å; R83-L179 HydrophobicContact CB-CD2 3.73Å; T84-L179 HydrophobicContact CG2-CD2 3.9Å; F174-L179 HydrophobicContact CB-CD1 4.31Å; F174-L179 HydrophobicContact CB-CD2 3.68Å; F174-L179 HydrophobicContact CB-CG 3.74Å; F174-L179 HydrophobicContact CD1-CD2 4.19Å; F174-L179 HydrophobicContact CD2-CD2 3.81Å; F174-L179 HydrophobicContact CE2-CD2 4.49Å; F174-L179 HydrophobicContact CG-CD2 3.64Å; F174-L179 HydrophobicContact CG-CG 4.25Å; S175-L179 PolarHBondContact O-N 2.85Å; S175-L179 VanDerWaalsContact O-N 3.14Å; L179-K181 VanDerWaalsContact C-N 3.26Å; L179-K181 PolarHBondContact O-N 3.33Å; L179-I182 PolarHBondContact O-N 3.18Å; L179-N183 VanDerWaalsContact O-CB 3.29Å; L179-N183 WeakPolarHBondContact O-CB 3.4Å; L179-N183 VanDerWaalsContact O-CG 3.28Å; L179-N183 PolarHBondContact O-N 2.66Å; L179-N183 PolarHBondContact O-ND2 3.02Å |
| 180 | R | 75.9 | Confident | 73.3 | Confident | 154 Ų | 154 | 61.4 Ų | 61.4 | 58% | 0.581 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.5 | -40.8 | 175.8 | -76.9 | -169.1 | -55 | -91.8 | 5.2 | 111.7 | P176 S177 D178 K184 | P176-R180 WeakPolarHBondContact O-CB 3.16Å; P176-R180 VanDerWaalsContact O-CG 3.3Å; P176-R180 WeakPolarHBondContact O-CG 3.28Å; P176-R180 PolarHBondContact O-N 3.45Å; P176-R180 VanDerWaalsContact O-N 3.1Å; P176-R180 PolarHBondContact O-NH1 2.91Å; S177-R180 PolarHBondContact O-N 2.8Å; D178-R180 PolarHBondContact O-N 2.81Å; R180-K184 WeakPolarHBondContact O-CB 3.3Å; R180-K184 PolarHBondContact O-N 2.91Å |
| 181 | K | 78.4 | Confident | 73.2 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.3 | -46.7 | 179.8 | -75.8 | 170.2 | 174.2 | -177.7 | 0 | 112 | F143 E146 S177 D178 L179 M185 | F143-K181 HydrophobicContact CE1-CB 3.69Å; F143-K181 HydrophobicContact CZ-CB 3.99Å; E146-K181 IonicContact OE1-NZ 3.56Å; E146-K181 PolarHBondContact OE1-NZ 2.54Å; E146-K181 IonicContact OE2-NZ 2.7Å; E146-K181 PolarHBondContact OE2-NZ 2.74Å; S177-K181 WeakPolarHBondContact O-CB 3.21Å; S177-K181 VanDerWaalsContact O-CG 3.23Å; S177-K181 WeakPolarHBondContact O-CG 3.42Å; S177-K181 PolarHBondContact O-N 3Å; D178-K181 WeakPolarHBondContact O-CB 3.47Å; D178-K181 PolarHBondContact O-N 3.24Å; L179-K181 VanDerWaalsContact C-N 3.26Å; L179-K181 PolarHBondContact O-N 3.33Å; K181-M185 VanDerWaalsContact O-CB 3.27Å; K181-M185 WeakPolarHBondContact O-CB 3.48Å; K181-M185 PolarHBondContact O-N 3.26Å |
| 182 | I | 83.4 | Confident | 72.3 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.1 | -51.1 | 176.9 | -64.8 | 161.2 | 0 | 0 | 0 | 109.7 | Y80 T84 I86 M138 F143 F174 D178 L179 K184 M185 Y186 | Y80-I182 HydrophobicContact CE1-CD1 4.1Å; T84-I182 HydrophobicContact CG2-CB 4.24Å; T84-I182 HydrophobicContact CG2-CD1 4.33Å; T84-I182 HydrophobicContact CG2-CG2 3.76Å; I86-I182 HydrophobicContact CD1-CG2 4.42Å; I86-I182 HydrophobicContact CG1-CG2 3.79Å; M138-I182 HydrophobicContact CE-CD1 4.35Å; F143-I182 HydrophobicContact CD2-CG1 4.13Å; F143-I182 HydrophobicContact CE2-CB 4.21Å; F143-I182 HydrophobicContact CE2-CG1 3.44Å; F143-I182 VanDerWaalsContact CE2-CG1 3.44Å; F143-I182 HydrophobicContact CZ-CB 4.43Å; F143-I182 HydrophobicContact CZ-CG1 3.92Å; F174-I182 HydrophobicContact CD1-CD1 4.11Å; F174-I182 HydrophobicContact CE1-CD1 3.81Å; D178-I182 WeakPolarHBondContact O-CG1 3.49Å; D178-I182 PolarHBondContact O-N 2.74Å; L179-I182 PolarHBondContact O-N 3.18Å; I182-K184 VanDerWaalsContact C-N 3.33Å; I182-K184 PolarHBondContact O-N 2.88Å; I182-M185 PolarHBondContact O-N 3.15Å; I182-M185 VanDerWaalsContact O-N 3.07Å; I182-Y186 HydrophobicContact CG2-CD2 4.36Å; I182-Y186 PolarHBondContact O-N 2.78Å |
| 183 | N | 84.5 | Confident | 71 | Confident | 17 Ų | 17 | 63.5 Ų | 63.5 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.7 | -35.7 | -176.3 | -67.6 | -23.2 | 0 | 0 | 0 | 112.3 | R83 T84 L179 N187 C188 F189 | R83-N183 PolarHBondContact O-ND2 2.7Å; T84-N183 WeakPolarHBondContact CA-OD1 3.42Å; T84-N183 WeakPolarHBondContact CB-OD1 3.36Å; L179-N183 VanDerWaalsContact O-CB 3.29Å; L179-N183 WeakPolarHBondContact O-CB 3.4Å; L179-N183 VanDerWaalsContact O-CG 3.28Å; L179-N183 PolarHBondContact O-N 2.66Å; L179-N183 PolarHBondContact O-ND2 3.02Å; N183-N187 CarbonylContact O-C 3.58Å; N183-N187 WeakPolarHBondContact O-CA 3.34Å; N183-N187 PolarHBondContact O-N 2.87Å; N183-C188 HydrophobicContact CB-CB 3.98Å; N183-C188 PolarHBondContact O-N 3.47Å; N183-C188 PolarHBondContact OD1-SG 2.79Å; N183-F189 HydrophobicContact CB-CD2 4.14Å; N183-F189 HydrophobicContact CB-CE1 4.24Å; N183-F189 HydrophobicContact CB-CE2 3.31Å; N183-F189 HydrophobicContact CB-CZ 3.38Å |
| 184 | K | 84.3 | Confident | 69.1 | Low | 174 Ų | 174 | 65.7 Ų | 65.7 | 76% | 0.757 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -68.1 | -39.4 | 170.8 | -176.7 | 173.2 | -176.1 | 170.3 | 0 | 112.6 | R180 I182 | R180-K184 WeakPolarHBondContact O-CB 3.3Å; R180-K184 PolarHBondContact O-N 2.91Å; I182-K184 VanDerWaalsContact C-N 3.33Å; I182-K184 PolarHBondContact O-N 2.88Å |
| 185 | M | 84.4 | Confident | 67 | Low | 18 Ų | 18 | 68.9 Ų | 68.9 | 9% | 0.089 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.4 | -43.8 | -179.2 | 178.5 | -172.9 | -73.9 | 0 | 0 | 111.8 | R51 F143 K181 I182 | R51-M185 PolarHBondContact NH1-O 3.39Å; F143-M185 HydrophobicContact CD1-CE 4.14Å; F143-M185 HydrophobicContact CD2-CE 4.31Å; F143-M185 HydrophobicContact CE1-CE 3.52Å; F143-M185 HydrophobicContact CE2-CE 3.73Å; F143-M185 HydrophobicContact CE2-SD 3.84Å; F143-M185 HydrophobicContact CG-CE 4.49Å; F143-M185 HydrophobicContact CZ-CB 4.08Å; F143-M185 HydrophobicContact CZ-CE 3.3Å; F143-M185 HydrophobicContact CZ-SD 3.84Å; K181-M185 VanDerWaalsContact O-CB 3.27Å; K181-M185 WeakPolarHBondContact O-CB 3.48Å; K181-M185 PolarHBondContact O-N 3.26Å; I182-M185 PolarHBondContact O-N 3.15Å; I182-M185 VanDerWaalsContact O-N 3.07Å |
| 186 | Y | 86.9 | Confident | 64.9 | Low | 28 Ų | 28 | 69.5 Ų | 69.5 | 11% | 0.11 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 5.9 | -175.4 | -78.5 | -88.2 | 0 | 0 | 0 | 113.8 | R51 W52 I86 V141 I182 C188 | R51-Y186 HydrophobicContact CB-CE1 4.26Å; W52-Y186 HydrophobicContact CB-CE1 4.42Å; W52-Y186 PolarHBondContact N-OH 3.26Å; W52-Y186 WeakPolarHBondContact O-CE1 3.31Å; I86-Y186 HydrophobicContact CD1-CD1 3.81Å; I86-Y186 HydrophobicContact CD1-CD2 3.6Å; I86-Y186 HydrophobicContact CD1-CE1 3.85Å; I86-Y186 HydrophobicContact CD1-CE2 3.65Å; I86-Y186 HydrophobicContact CD1-CG 3.67Å; V141-Y186 HydrophobicContact CG1-CD2 4.35Å; V141-Y186 HydrophobicContact CG1-CE2 3.54Å; V141-Y186 WeakPolarHBondContact O-CE2 3.39Å; V141-Y186 PolarHBondContact O-OH 3.11Å; I182-Y186 HydrophobicContact CG2-CD2 4.36Å; I182-Y186 PolarHBondContact O-N 2.78Å; Y186-C188 VanDerWaalsContact C-N 3.29Å; Y186-C188 PolarHBondContact O-N 3.07Å |
| 187 | N | 87 | Confident | 63 | Low | 83 Ų | 83 | 71 Ų | 71 | 44% | 0.444 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 47.8 | -176.9 | -159.3 | 22.2 | 0 | 0 | 0 | 113.5 | N183 F189 D190 | N183-N187 CarbonylContact O-C 3.58Å; N183-N187 WeakPolarHBondContact O-CA 3.34Å; N183-N187 PolarHBondContact O-N 2.87Å; N187-F189 PolarHBondContact O-N 3.29Å; N187-D190 VanDerWaalsContact ND2-CB 3.35Å; N187-D190 WeakPolarHBondContact ND2-CB 3.38Å; N187-D190 PolarHBondContact ND2-OD2 3.15Å; N187-D190 PolarHBondContact O-N 3.13Å; N187-D190 PolarHBondContact OD1-OD2 3.13Å |
| 188 | C | 81.3 | Confident | 61.6 | Low | 8 Ų | 8 | 76.8 Ų | 76.8 | 5% | 0.054 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -10.5 | -176.9 | -57.6 | 0 | 0 | 0 | 0 | 113 | C85 N183 Y186 Y198 | C85-C188 HydrophobicContact CB-CB 3.6Å; C85-C188 WeakPolarHBondContact CB-SG 3.29Å; C85-C188 PolarHBondContact N-SG 2.94Å; C85-C188 WeakPolarHBondContact SG-CA 3.46Å; C85-C188 WeakPolarHBondContact SG-CB 3.46Å; C85-C188 CovalentContact SG-SG 2.04Å; C85-C188 PolarHBondContact SG-SG 3.39Å; N183-C188 HydrophobicContact CB-CB 3.98Å; N183-C188 PolarHBondContact O-N 3.47Å; N183-C188 PolarHBondContact OD1-SG 2.79Å; Y186-C188 VanDerWaalsContact C-N 3.29Å; Y186-C188 PolarHBondContact O-N 3.07Å; C188-Y198 PolarHBondContact O-OH 3.48Å |
| 189 | F | 72 | Confident | 59.8 | Low | 129 Ų | 129 | 83.7 Ų | 83.7 | 57% | 0.566 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -13.4 | -174.4 | -57.8 | -68 | 0 | 0 | 0 | 115 | N183 N187 | N183-F189 HydrophobicContact CB-CD2 4.14Å; N183-F189 HydrophobicContact CB-CE1 4.24Å; N183-F189 HydrophobicContact CB-CE2 3.31Å; N183-F189 HydrophobicContact CB-CZ 3.38Å; N187-F189 PolarHBondContact O-N 3.29Å |
| 190 | D | 54.8 | Low | 57.5 | Low | 121 Ų | 121 | 85.5 Ų | 85.5 | 65% | 0.647 | 51% | 0.509 | S | S | * | . | trans | -106 | 24.4 | -172.8 | -66.9 | -18.2 | 0 | 0 | 0 | 114.6 | N187 | N187-D190 VanDerWaalsContact ND2-CB 3.35Å; N187-D190 WeakPolarHBondContact ND2-CB 3.38Å; N187-D190 PolarHBondContact ND2-OD2 3.15Å; N187-D190 PolarHBondContact O-N 3.13Å; N187-D190 PolarHBondContact OD1-OD2 3.13Å | ||
| 191 | G | 44.1 | Very low | 55.5 | Low | 71 Ų | 71 | 83.7 Ų | 83.7 | 73% | 0.732 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -92.6 | 96 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | D193 | G191-D193 PolarHBondContact O-N 3.34Š|
| 192 | G | 33.3 | Very low | 53.3 | Low | 80 Ų | 80 | 87.5 Ų | 87.5 | 83% | 0.825 | 54% | 0.542 | S | S | * | . | trans | -53.1 | 114 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 193 | D | 33.9 | Very low | 51 | Low | 142 Ų | 142 | 90.8 Ų | 90.8 | 76% | 0.759 | 56% | 0.56 | S | S | * | * | -160.4 | 126 | 129.9 | -129.5 | -11.1 | 0 | 0 | 0 | 108.9 | G191 G195 | G191-D193 PolarHBondContact O-N 3.34Å; D193-G195 PolarHBondContact O-N 3.05Å; D193-G195 VanDerWaalsContact O-N 3.14Å | |||
| 194 | G | 28.9 | Very low | 48.8 | Very low | 83 Ų | 83 | 94.4 Ų | 94.4 | 86% | 0.856 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | 120 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | G196 | G194-G196 PolarHBondContact O-N 3.34Š|
| 195 | G | 28 | Very low | 46.5 | Very low | 87 Ų | 87 | 90.1 Ų | 90.1 | 90% | 0.897 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.6 | 10.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | D193 T197 | D193-G195 PolarHBondContact O-N 3.05Å; D193-G195 VanDerWaalsContact O-N 3.14Å; G195-T197 PolarHBondContact O-N 2.76Å |
| 196 | G | 29 | Very low | 44.3 | Very low | 48 Ų | 48 | 96.1 Ų | 96.1 | 50% | 0.495 | 61% | 0.608 | S | S | . | * | trans | -85.6 | 108.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G194 Y198 | G194-G196 PolarHBondContact O-N 3.34Å; G196-Y198 PolarHBondContact O-N 2.68Å; G196-Y198 VanDerWaalsContact O-N 3.17Å | ||
| 197 | T | 31.3 | Very low | 42.3 | Very low | 121 Ų | 121 | 98 Ų | 98 | 74% | 0.742 | 62% | 0.622 | S | S | * | * | trans | -37.2 | 122.5 | 155.6 | 42.5 | 0 | 0 | 0 | 0 | 109.4 | G195 Q199 | G195-T197 PolarHBondContact O-N 2.76Å; T197-Q199 VanDerWaalsContact C-N 3.29Å; T197-Q199 PolarHBondContact O-N 2.72Å | ||
| 198 | Y | 41.4 | Very low | 39.6 | Very low | 145 Ų | 145 | 100.6 Ų | 100.6 | 57% | 0.569 | 63% | 0.626 | S | S | * | * | trans | -52.4 | 111.7 | 155.2 | -60.5 | -79.8 | 0 | 0 | 0 | 103.9 | C188 G196 C200 | C188-Y198 PolarHBondContact O-OH 3.48Å; G196-Y198 PolarHBondContact O-N 2.68Å; G196-Y198 VanDerWaalsContact O-N 3.17Å; Y198-C200 PolarHBondContact O-N 3.18Å | ||
| 199 | Q | 33.8 | Very low | 37.4 | Very low | 168 Ų | 168 | 114.5 Ų | 114.5 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | trans | -60 | 99.8 | 170.1 | -79.2 | -168.4 | -26.1 | 0 | 0 | 104 | T197 V201 | T197-Q199 VanDerWaalsContact C-N 3.29Å; T197-Q199 PolarHBondContact O-N 2.72Å; Q199-V201 VanDerWaalsContact C-N 3.26Å; Q199-V201 PolarHBondContact O-N 2.8Å | ||
| 200 | C | 31.7 | Very low | 35.6 | Very low | 76 Ų | 76 | 113.8 Ų | 113.8 | 51% | 0.514 | 68% | 0.683 | S | S | . | * | trans | -41.4 | 108.2 | 154.1 | -60.8 | 0 | 0 | 0 | 0 | 103.1 | Y198 T202 | Y198-C200 PolarHBondContact O-N 3.18Å; C200-T202 HydrophobicContact CB-CG2 3.93Å; C200-T202 PolarHBondContact O-N 2.8Å | ||
| 201 | V | 33.8 | Very low | 34.6 | Very low | 116 Ų | 116 | 113.4 Ų | 113.4 | 70% | 0.703 | 69% | 0.685 | S | S | * | * | trans | -68.9 | 82.9 | 164.3 | -122.8 | 0 | 0 | 0 | 0 | 102.9 | Q199 N203 | Q199-V201 VanDerWaalsContact C-N 3.26Å; Q199-V201 PolarHBondContact O-N 2.8Å; V201-N203 PolarHBondContact O-N 3.17Å | ||
| 202 | T | 32.3 | Very low | 34.1 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 74% | 0.742 | 68% | 0.683 | S | S | * | * | trans | -68.9 | 70.9 | 163.4 | 51.3 | 0 | 0 | 0 | 0 | 105.1 | C200 P204 | C200-T202 HydrophobicContact CB-CG2 3.93Å; C200-T202 PolarHBondContact O-N 2.8Å; T202-P204 VanDerWaalsContact C-CD 3.49Å | ||
| 203 | N | 34.6 | Very low | 34.1 | Very low | 71 Ų | 71 | 117.8 Ų | 117.8 | 38% | 0.38 | 67% | 0.674 | S | S | . | * | trans | -127.3 | 80.4 | 156.3 | -154.4 | -9.3 | 0 | 0 | 0 | 109.3 | V201 S205 L206 | V201-N203 PolarHBondContact O-N 3.17Å; N203-S205 PolarHBondContact O-N 2.93Å; N203-S205 WeakPolarHBondContact OD1-CB 3.42Å; N203-S205 PolarHBondContact OD1-N 3.22Å; N203-S205 PolarHBondContact OD1-OG 3.07Å; N203-L206 HydrophobicContact CB-CD1 4.31Å; N203-L206 PolarHBondContact O-N 3.33Å | ||
| 204 | P | 38 | Very low | 34.2 | Very low | 92 Ų | 92 | 116.3 Ų | 116.3 | 60% | 0.597 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -55.1 | -18.6 | 171.2 | -19.7 | 31 | 0 | 0 | 0 | 112.1 | T202 Y208 | T202-P204 VanDerWaalsContact C-CD 3.49Å; P204-Y208 WeakPolarHBondContact O-CD2 3.5Å; P204-Y208 WeakPolarHBondContact O-CE2 3.27Å |
| 205 | S | 36.6 | Very low | 34.5 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 59% | 0.587 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -82.4 | -6.3 | -174.7 | 75.1 | 0 | 0 | 0 | 0 | 115.6 | N203 | N203-S205 PolarHBondContact O-N 2.93Å; N203-S205 WeakPolarHBondContact OD1-CB 3.42Å; N203-S205 PolarHBondContact OD1-N 3.22Å; N203-S205 PolarHBondContact OD1-OG 3.07Å |
| 206 | L | 38.2 | Very low | 35 | Very low | 145 Ų | 145 | 120.8 Ų | 120.8 | 76% | 0.759 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -92.7 | 0.1 | 177.4 | -76.9 | 168.1 | 0 | 0 | 0 | 114.7 | N203 | N203-L206 HydrophobicContact CB-CD1 4.31Å; N203-L206 PolarHBondContact O-N 3.33Å |
| 207 | V | 43.3 | Very low | 35.4 | Very low | 67 Ų | 67 | 126.4 Ų | 126.4 | 41% | 0.406 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -106.3 | -2 | 179.6 | -174.3 | 0 | 0 | 0 | 0 | 112.5 | A74 | A74-V207 HydrophobicContact CB-CG1 4.13Š|
| 208 | Y | 32.2 | Very low | 35.8 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 54% | 0.537 | 64% | 0.643 | S | S | . | * | trans | -121.5 | 85.1 | -175.3 | -61.9 | -88.9 | 0 | 0 | 0 | 113 | P204 | P204-Y208 WeakPolarHBondContact O-CD2 3.5Å; P204-Y208 WeakPolarHBondContact O-CE2 3.27Å | ||
| 209 | R | 33.6 | Very low | 35.3 | Very low | 300 Ų | 300 | 125.2 Ų | 125.2 | 100% | 1.132 | 65% | 0.649 | S | S | * | * | trans | -149.9 | 0 | 141.4 | -78.7 | -160.7 | -176.9 | -164.7 | 0.5 | 108.9 |
Retrieved 209 of 209 residues in 363.2 ms
(Link to these results)