| 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 | 50.1 | Low | 83 | Confident | 170 Ų | 170 | 91.4 Ų | 91.4 | 84% | 0.837 | 52% | 0.517 | S | S | * | . | 0 | 92.2 | 0 | -70.5 | -179.7 | 171.4 | 0 | 0 | 109.1 | A59 | M1-A59 HydrophobicContact CE-CB 3.9Å; M1-A59 HydrophobicContact SD-CB 3.75Å | |||
| 2 | S | 53.4 | Low | 84.1 | Confident | 136 Ų | 136 | 86.3 Ų | 86.3 | 95% | 0.951 | 49% | 0.487 | S | S | * | . | trans | -92.9 | 103.1 | 166.2 | 167.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 3 | G | 69.1 | Low | 84.9 | Confident | 54 Ų | 54 | 83.8 Ų | 83.8 | 56% | 0.557 | 47% | 0.473 | S | S | * | . | trans | -160.6 | 156.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 4 | D | 82.4 | Confident | 85.4 | Confident | 125 Ų | 125 | 81.2 Ų | 81.2 | 67% | 0.668 | 47% | 0.467 | S | S | * | . | trans | -57.7 | 138.6 | 176 | -166.8 | 6.9 | 0 | 0 | 0 | 110.1 | ||||
| 5 | R | 88.3 | Confident | 85.7 | Confident | 172 Ų | 172 | 80.6 Ų | 80.6 | 65% | 0.649 | 49% | 0.485 | S | S | * | . | trans | -119.8 | 126.5 | -177 | -67.5 | -177.5 | -177.4 | 174.8 | 3.2 | 108.3 | ||||
| 6 | T | 93.9 | Very high | 86.1 | Confident | 62 Ų | 62 | 76.6 Ų | 76.6 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | trans | -131.6 | 152.3 | 175 | -171.9 | 0 | 0 | 0 | 0 | 110.6 | V8 L25 T29 | T6-V8 HydrophobicContact CG2-CG1 3.85Å; T6-L25 HydrophobicContact CG2-CD1 3.63Å; T6-T29 HydrophobicContact CG2-CG2 3.91Å | ||
| 7 | V | 94.1 | Very high | 86.4 | Confident | 100 Ų | 100 | 80.1 Ų | 80.1 | 61% | 0.606 | 47% | 0.472 | S | S | * | . | trans | -88.4 | 128.1 | 174.5 | -177 | 0 | 0 | 0 | 0 | 107.2 | L63 | V7-L63 HydrophobicContact CB-CD1 4.49Å; V7-L63 HydrophobicContact CG1-CD1 4.22Å; V7-L63 HydrophobicContact CG2-CD1 3.46Å; V7-L63 VanDerWaalsContact CG2-CD1 3.46Å | ||
| 8 | V | 95.7 | Very high | 86.9 | Confident | 38 Ų | 38 | 79.4 Ų | 79.4 | 23% | 0.23 | 46% | 0.46 | C | S | . | . | trans | -123.7 | 149.2 | -175.8 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | T6 L25 L60 E119 V120 | T6-V8 HydrophobicContact CG2-CG1 3.85Å; V8-L25 HydrophobicContact CB-CD2 4.45Å; V8-L25 HydrophobicContact CG1-CD1 4.01Å; V8-L25 HydrophobicContact CG1-CD2 3.62Å; V8-L60 HydrophobicContact CG2-CD2 4.15Å; V8-E119 WeakPolarHBondContact CA-OE2 3.41Å; V8-E119 HydrophobicContact CB-CB 4.35Å; V8-V120 HydrophobicContact CG2-CG2 4.19Å | ||
| 9 | M | 95 | Very high | 87.4 | Confident | 52 Ų | 52 | 75.3 Ų | 75.3 | 26% | 0.256 | 44% | 0.436 | S | S | . | . | trans | -86.5 | 119.8 | 167 | -169.2 | 62.1 | 59.8 | 0 | 0 | 109.6 | I89 K117 I118 E119 V120 | M9-I89 HydrophobicContact CG-CD1 4.27Å; M9-K117 WeakPolarHBondContact CB-O 3.19Å; M9-I118 HydrophobicContact CB-CD1 4.48Å; M9-I118 HydrophobicContact CG-CD1 3.6Å; M9-E119 PolarHBondContact N-OE2 3.39Å; M9-E119 PolarHBondContact O-N 2.63Å; M9-V120 PolarHBondContact O-N 2.78Å | ||
| 10 | C | 96 | Very high | 87.9 | Confident | 35 Ų | 35 | 72 Ų | 72 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 137.8 | -176.4 | -168.4 | 0 | 0 | 0 | 0 | 111.1 | V120 I122 | C10-V120 CarbonylContact C-O 3.56Å; C10-V120 VanDerWaalsContact CA-O 3.3Å; C10-V120 WeakPolarHBondContact CA-O 3.43Å; C10-I122 VanDerWaalsContact SG-CG1 3.58Å |
| 11 | L | 95.6 | Very high | 88.4 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 32% | 0.319 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 129.8 | 168.7 | -179.9 | 62.4 | 0 | 0 | 0 | 109.2 | D13 I118 V120 L121 I122 | L11-D13 HydrophobicContact CD2-CB 4.49Å; L11-D13 HydrophobicContact CG-CB 4.35Å; L11-I118 HydrophobicContact CB-CD1 4.12Å; L11-I118 HydrophobicContact CB-CG1 4.27Å; L11-I118 HydrophobicContact CB-CG2 3.78Å; L11-V120 PolarHBondContact N-O 3.32Å; L11-L121 HydrophobicContact CD2-CD1 4.13Å; L11-L121 HydrophobicContact CD2-CG 4.38Å; L11-L121 CarbonylContact O-C 3.6Å; L11-L121 WeakPolarHBondContact O-CA 3.22Å; L11-I122 PolarHBondContact O-N 2.83Å |
| 12 | L | 95.8 | Very high | 90.6 | Very high | 30 Ų | 30 | 60.5 Ų | 60.5 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 114.6 | 169.3 | -57.3 | -179.8 | 0 | 0 | 0 | 107.6 | I122 Y127 F130 V131 T148 I153 | L12-I122 HydrophobicContact CD2-CB 3.69Å; L12-I122 HydrophobicContact CD2-CG1 3.94Å; L12-I122 HydrophobicContact CD2-CG2 4.15Å; L12-Y127 HydrophobicContact CB-CD2 4.2Å; L12-Y127 HydrophobicContact CB-CE2 3.79Å; L12-F130 HydrophobicContact CD1-CB 4.49Å; L12-F130 HydrophobicContact CD2-CB 4.15Å; L12-F130 HydrophobicContact CD2-CG 4.49Å; L12-V131 HydrophobicContact CD1-CG2 3.63Å; L12-T148 HydrophobicContact CD1-CG2 3.83Å; L12-I153 HydrophobicContact CD1-CD1 4.06Å |
| 13 | D | 93.9 | Very high | 92.7 | Very high | 55 Ų | 55 | 56.8 Ų | 56.8 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | trans | -127.7 | 99.2 | -170.8 | -175.3 | 8.7 | 0 | 0 | 0 | 111.4 | L11 G15 S16 L121 I122 | L11-D13 HydrophobicContact CD2-CB 4.49Å; L11-D13 HydrophobicContact CG-CB 4.35Å; D13-G15 PolarHBondContact O-N 2.65Å; D13-G15 WeakPolarHBondContact OD1-CA 3.33Å; D13-G15 PolarHBondContact OD1-N 3.21Å; D13-S16 PolarHBondContact O-N 3.08Å; D13-L121 HydrophobicContact CB-CD1 4.23Å; D13-L121 HydrophobicContact CB-CD2 3.89Å; D13-L121 HydrophobicContact CB-CG 3.97Å; D13-I122 PolarHBondContact N-O 3.33Å | ||
| 14 | A | 92.3 | Very high | 94 | Very high | 47 Ų | 47 | 59.1 Ų | 59.1 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -9.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L124 Y127 | A14-L124 HydrophobicContact CB-CD2 4.15Å; A14-L124 WeakPolarHBondContact O-CD1 3.41Å; A14-L124 WeakPolarHBondContact O-CG 3.47Å; A14-Y127 HydrophobicContact CB-CD2 4.17Å; A14-Y127 HydrophobicContact CB-CE1 4.3Å; A14-Y127 HydrophobicContact CB-CE2 3.84Å |
| 15 | G | 90.2 | Very high | 94.7 | Very high | 72 Ų | 72 | 53.4 Ų | 53.4 | 74% | 0.742 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D13 | D13-G15 PolarHBondContact O-N 2.65Å; D13-G15 WeakPolarHBondContact OD1-CA 3.33Å; D13-G15 PolarHBondContact OD1-N 3.21Å |
| 16 | S | 91.6 | Very high | 95.1 | Very high | 17 Ų | 17 | 45.2 Ų | 45.2 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | trans | -99.9 | 132.5 | 176.4 | -174 | 0 | 0 | 0 | 0 | 111 | D13 R18 F20 G123 L124 | D13-S16 PolarHBondContact O-N 3.08Å; S16-R18 VanDerWaalsContact C-N 3.3Å; S16-R18 PolarHBondContact OG-N 3.27Å; S16-R18 PolarHBondContact OG-O 2.96Å; S16-F20 WeakPolarHBondContact OG-CE2 3.25Å; S16-G123 CarbonylContact O-C 3.55Å; S16-G123 VanDerWaalsContact O-CA 3.29Å; S16-G123 WeakPolarHBondContact O-CA 3.33Å; S16-L124 PolarHBondContact O-N 3.41Å | ||
| 17 | Q | 92.4 | Very high | 95.1 | Very high | 136 Ų | 136 | 46.7 Ų | 46.7 | 64% | 0.636 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -74.4 | -24 | 172.7 | -66.5 | -179.4 | -45.7 | 0 | 0 | 112.8 | ||
| 18 | R | 94.5 | Very high | 95.2 | Very high | 68 Ų | 68 | 47.5 Ų | 47.5 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -127.7 | 153.1 | -172.4 | -65.6 | -64.8 | -64.5 | -87 | -6.6 | 111.6 | S16 F20 E36 D125 | S16-R18 VanDerWaalsContact C-N 3.3Å; S16-R18 PolarHBondContact OG-N 3.27Å; S16-R18 PolarHBondContact OG-O 2.96Å; R18-F20 HydrophobicContact CB-CE2 4.24Å; R18-F20 HydrophobicContact CB-CZ 4.04Å; R18-F20 WeakPolarHBondContact O-CD2 2.81Å; R18-F20 VanDerWaalsContact O-CE2 3.3Å; R18-F20 WeakPolarHBondContact O-CE2 3.39Å; R18-E36 IonicContact NH2-OE2 2.93Å; R18-D125 WeakPolarHBondContact CA-OD2 3.2Å; R18-D125 IonicContact NE-OD2 2.6Å |
| 19 | S | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -85.9 | 145.1 | 171.5 | -66.2 | 0 | 0 | 0 | 0 | 112 | A79 L80 L121 I122 G123 D125 | S19-A79 VanDerWaalsContact O-CA 3.29Å; S19-A79 WeakPolarHBondContact O-CA 3.46Å; S19-A79 WeakPolarHBondContact O-CB 3.45Å; S19-L80 PolarHBondContact O-N 2.91Å; S19-L121 CarbonylContact C-O 3.46Å; S19-L121 WeakPolarHBondContact CA-O 3.01Å; S19-L121 WeakPolarHBondContact CB-O 3.08Å; S19-I122 WeakPolarHBondContact OG-CA 3.35Å; S19-G123 PolarHBondContact OG-N 2.83Å; S19-D125 PolarHBondContact N-OD1 3.1Å; S19-D125 VanDerWaalsContact N-OD1 3.13Å; S19-D125 PolarHBondContact N-OD2 3.02Å; S19-D125 PolarHBondContact OG-OD1 3.42Å | ||
| 20 | F | 97.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 4% | 0.044 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 151.6 | -178.5 | -59.9 | -80.2 | 0 | 0 | 0 | 111.9 | S16 R18 L80 L82 I85 V120 L121 A172 | S16-F20 WeakPolarHBondContact OG-CE2 3.25Å; R18-F20 HydrophobicContact CB-CE2 4.24Å; R18-F20 HydrophobicContact CB-CZ 4.04Å; R18-F20 WeakPolarHBondContact O-CD2 2.81Å; R18-F20 VanDerWaalsContact O-CE2 3.3Å; R18-F20 WeakPolarHBondContact O-CE2 3.39Å; F20-L80 VanDerWaalsContact CA-O 3.31Å; F20-L80 WeakPolarHBondContact CA-O 3.16Å; F20-L80 HydrophobicContact CD1-CB 3.76Å; F20-L80 HydrophobicContact CD1-CD1 4.5Å; F20-L80 HydrophobicContact CE1-CB 3.94Å; F20-L80 HydrophobicContact CE1-CD1 3.87Å; F20-L82 HydrophobicContact CB-CD1 4.08Å; F20-L82 HydrophobicContact CB-CG 4.47Å; F20-L82 HydrophobicContact CD1-CD1 3.46Å; F20-L82 VanDerWaalsContact CD1-CD1 3.46Å; F20-L82 HydrophobicContact CD1-CD2 4.42Å; F20-L82 HydrophobicContact CD1-CG 3.74Å; F20-L82 HydrophobicContact CE1-CD1 4.02Å; F20-L82 HydrophobicContact CE1-CG 4.42Å; F20-L82 HydrophobicContact CG-CD1 3.79Å; F20-L82 HydrophobicContact CG-CG 4.37Å; F20-I85 HydrophobicContact CB-CD1 4.32Å; F20-I85 HydrophobicContact CB-CG1 4.24Å; F20-V120 CarbonylContact O-C 3.54Å; F20-V120 WeakPolarHBondContact O-CA 3.49Å; F20-L121 HydrophobicContact CB-CB 4.32Å; F20-L121 HydrophobicContact CD2-CD1 4.46Å; F20-L121 HydrophobicContact CD2-CD2 4.05Å; F20-L121 PolarHBondContact N-O 2.92Å; F20-L121 PolarHBondContact O-N 2.97Å; F20-A172 HydrophobicContact CE1-CB 4.05Å; F20-A172 HydrophobicContact CE2-CB 4.39Å; F20-A172 HydrophobicContact CZ-CB 3.57Å |
| 21 | I | 98 | Very high | 95.1 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 146.6 | 177.1 | -176 | 164.6 | 0 | 0 | 0 | 109.6 | L25 T26 L31 V56 F58 A79 L80 C81 L82 E119 V120 | I21-L25 HydrophobicContact CD1-CD2 3.73Å; I21-L25 HydrophobicContact CD1-CG 4.08Å; I21-L25 HydrophobicContact CG1-CB 4.35Å; I21-L25 HydrophobicContact CG1-CD2 3.85Å; I21-L25 HydrophobicContact CG1-CG 4.28Å; I21-T26 HydrophobicContact CB-CG2 4.4Å; I21-T26 HydrophobicContact CD1-CG2 3.76Å; I21-T26 HydrophobicContact CG1-CG2 3.84Å; I21-T26 HydrophobicContact CG2-CG2 3.68Å; I21-L31 HydrophobicContact CD1-CD1 4.14Å; I21-V56 HydrophobicContact CG2-CG2 3.6Å; I21-F58 HydrophobicContact CB-CE1 4.18Å; I21-F58 HydrophobicContact CB-CZ 4.45Å; I21-F58 HydrophobicContact CD1-CD1 3.85Å; I21-F58 HydrophobicContact CD1-CE1 3.61Å; I21-F58 HydrophobicContact CD1-CE2 4.47Å; I21-F58 HydrophobicContact CD1-CG 4.4Å; I21-F58 HydrophobicContact CD1-CZ 3.96Å; I21-F58 HydrophobicContact CG1-CE1 4.46Å; I21-F58 HydrophobicContact CG2-CE1 4.41Å; I21-A79 HydrophobicContact CB-CB 4.11Å; I21-A79 HydrophobicContact CG2-CB 3.89Å; I21-L80 PolarHBondContact N-O 2.84Å; I21-C81 CarbonylContact O-C 3.56Å; I21-C81 VanDerWaalsContact O-CA 3.28Å; I21-C81 WeakPolarHBondContact O-CA 3.42Å; I21-L82 PolarHBondContact O-N 3.45Å; I21-E119 WeakPolarHBondContact CA-O 3.5Å; I21-V120 HydrophobicContact CD1-CG2 4.32Å; I21-V120 HydrophobicContact CG1-CG2 4.17Å |
| 22 | T | 97 | Very high | 95 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 139.6 | 178.4 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | E24 L25 T26 L82 I85 E119 | T22-E24 PolarHBondContact O-N 3.12Å; T22-L25 PolarHBondContact O-N 3.44Å; T22-L25 VanDerWaalsContact O-N 3.1Å; T22-L25 WeakPolarHBondContact OG1-CB 3.36Å; T22-L25 PolarHBondContact OG1-N 3.2Å; T22-T26 PolarHBondContact O-N 3.37Å; T22-T26 PolarHBondContact O-OG1 2.8Å; T22-L82 CarbonylContact C-O 3.56Å; T22-L82 WeakPolarHBondContact CA-O 3.42Å; T22-I85 HydrophobicContact CG2-CD1 4.02Å; T22-I85 HydrophobicContact CG2-CG1 4.05Å; T22-E119 PolarHBondContact N-O 2.79Å |
| 23 | E | 96.3 | Very high | 95 | Very high | 57 Ų | 57 | 58 Ų | 58 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -54.8 | -43.6 | 173.8 | -76.8 | 168.1 | 177.6 | 0 | 0 | 111.2 | L25 T26 D27 K51 C81 L82 S83 | E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 2.71Å; E23-T26 VanDerWaalsContact CA-OG1 3.31Å; E23-T26 WeakPolarHBondContact CA-OG1 3.21Å; E23-T26 PolarHBondContact O-N 2.9Å; E23-T26 VanDerWaalsContact O-N 3.08Å; E23-T26 PolarHBondContact O-OG1 3.21Å; E23-D27 VanDerWaalsContact O-CG 3.3Å; E23-D27 PolarHBondContact O-N 3.1Å; E23-K51 IonicContact OE1-NZ 3.3Å; E23-K51 PolarHBondContact OE1-NZ 3.49Å; E23-C81 HydrophobicContact CG-CB 3.87Å; E23-L82 PolarHBondContact N-O 2.74Å; E23-S83 WeakPolarHBondContact OE2-CA 3.43Å; E23-S83 WeakPolarHBondContact OE2-CB 3.29Å; E23-S83 PolarHBondContact OE2-N 3.02Å |
| 24 | E | 96.7 | Very high | 95.1 | Very high | 103 Ų | 103 | 58.7 Ų | 58.7 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -53.8 | -45.3 | 175.1 | -176.6 | -174.2 | 169.9 | 0 | 0 | 112.7 | T22 R28 K117 | T22-E24 PolarHBondContact O-N 3.12Å; E24-R28 VanDerWaalsContact O-CB 3.28Å; E24-R28 WeakPolarHBondContact O-CB 3.48Å; E24-R28 PolarHBondContact O-N 3.43Å; E24-K117 IonicContact OE2-NZ 3.85Å; E24-K117 PolarHBondContact OE2-NZ 2.75Å |
| 25 | L | 96.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.9 | -42.3 | 177.9 | 175.1 | 60.5 | 0 | 0 | 0 | 110.7 | T6 V8 I21 T22 E23 D27 R28 T29 E119 V120 | T6-L25 HydrophobicContact CG2-CD1 3.63Å; V8-L25 HydrophobicContact CB-CD2 4.45Å; V8-L25 HydrophobicContact CG1-CD1 4.01Å; V8-L25 HydrophobicContact CG1-CD2 3.62Å; I21-L25 HydrophobicContact CD1-CD2 3.73Å; I21-L25 HydrophobicContact CD1-CG 4.08Å; I21-L25 HydrophobicContact CG1-CB 4.35Å; I21-L25 HydrophobicContact CG1-CD2 3.85Å; I21-L25 HydrophobicContact CG1-CG 4.28Å; T22-L25 PolarHBondContact O-N 3.44Å; T22-L25 VanDerWaalsContact O-N 3.1Å; T22-L25 WeakPolarHBondContact OG1-CB 3.36Å; T22-L25 PolarHBondContact OG1-N 3.2Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 2.71Å; L25-D27 VanDerWaalsContact C-N 3.35Å; L25-D27 PolarHBondContact O-N 3.47Å; L25-R28 PolarHBondContact O-N 3.15Å; L25-T29 HydrophobicContact CD1-CG2 3.79Å; L25-T29 WeakPolarHBondContact O-CB 3.28Å; L25-T29 WeakPolarHBondContact O-CG2 3.47Å; L25-T29 PolarHBondContact O-N 2.77Å; L25-T29 PolarHBondContact O-OG1 2.85Å; L25-E119 HydrophobicContact CD2-CB 3.96Å; L25-V120 HydrophobicContact CD2-CG2 3.85Å |
| 26 | T | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.8 | -37 | 178.7 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | I21 T22 E23 T29 R30 L31 R54 V56 C81 | I21-T26 HydrophobicContact CB-CG2 4.4Å; I21-T26 HydrophobicContact CD1-CG2 3.76Å; I21-T26 HydrophobicContact CG1-CG2 3.84Å; I21-T26 HydrophobicContact CG2-CG2 3.68Å; T22-T26 PolarHBondContact O-N 3.37Å; T22-T26 PolarHBondContact O-OG1 2.8Å; E23-T26 VanDerWaalsContact CA-OG1 3.31Å; E23-T26 WeakPolarHBondContact CA-OG1 3.21Å; E23-T26 PolarHBondContact O-N 2.9Å; E23-T26 VanDerWaalsContact O-N 3.08Å; E23-T26 PolarHBondContact O-OG1 3.21Å; T26-T29 CarbonylContact O-C 3.53Å; T26-R30 CarbonylContact O-C 3.51Å; T26-R30 WeakPolarHBondContact O-CA 3.35Å; T26-R30 PolarHBondContact O-N 2.99Å; T26-L31 HydrophobicContact CG2-CB 4.3Å; T26-L31 HydrophobicContact CG2-CD1 4.36Å; T26-L31 PolarHBondContact O-N 2.65Å; T26-R54 PolarHBondContact OG1-NH2 2.76Å; T26-V56 HydrophobicContact CG2-CG1 4.35Å; T26-V56 HydrophobicContact CG2-CG2 3.83Å; T26-C81 VanDerWaalsContact CG2-SG 3.53Å |
| 27 | D | 95.3 | Very high | 95.3 | Very high | 94 Ų | 94 | 60.4 Ų | 60.4 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -70.9 | -44.6 | 177.4 | -67.3 | -24.1 | 0 | 0 | 0 | 110.8 | E23 L25 T29 R30 R54 | E23-D27 VanDerWaalsContact O-CG 3.3Å; E23-D27 PolarHBondContact O-N 3.1Å; L25-D27 VanDerWaalsContact C-N 3.35Å; L25-D27 PolarHBondContact O-N 3.47Å; D27-T29 VanDerWaalsContact C-N 3.29Å; D27-T29 PolarHBondContact O-N 3.03Å; D27-R30 PolarHBondContact O-N 3.23Å; D27-R54 IonicContact OD1-CZ 2.67Å; D27-R54 IonicContact OD1-NH1 2.97Å; D27-R54 PolarHBondContact OD1-NH1 3.16Å; D27-R54 IonicContact OD1-NH2 3.28Å; D27-R54 PolarHBondContact OD1-NH2 2.66Å |
| 28 | R | 95.2 | Very high | 95.3 | Very high | 117 Ų | 117 | 54 Ų | 54 | 44% | 0.442 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.9 | -41 | 175.8 | -177.6 | 169.5 | 65 | -173.2 | -3 | 112.2 | E24 L25 E119 | E24-R28 VanDerWaalsContact O-CB 3.28Å; E24-R28 WeakPolarHBondContact O-CB 3.48Å; E24-R28 PolarHBondContact O-N 3.43Å; L25-R28 PolarHBondContact O-N 3.15Å; R28-E119 IonicContact CZ-OE1 3.7Å; R28-E119 IonicContact NH2-OE1 2.64Å; R28-E119 PolarHBondContact NH2-OE1 2.84Å |
| 29 | T | 94.5 | Very high | 95.1 | Very high | 29 Ų | 29 | 51.9 Ų | 51.9 | 18% | 0.178 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 1.9 | -179.4 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | T6 L25 T26 D27 L31 | T6-T29 HydrophobicContact CG2-CG2 3.91Å; L25-T29 HydrophobicContact CD1-CG2 3.79Å; L25-T29 WeakPolarHBondContact O-CB 3.28Å; L25-T29 WeakPolarHBondContact O-CG2 3.47Å; L25-T29 PolarHBondContact O-N 2.77Å; L25-T29 PolarHBondContact O-OG1 2.85Å; T26-T29 CarbonylContact O-C 3.53Å; D27-T29 VanDerWaalsContact C-N 3.29Å; D27-T29 PolarHBondContact O-N 3.03Å; T29-L31 PolarHBondContact O-N 3.3Å; T29-L31 WeakPolarHBondContact OG1-CD1 3.26Å; T29-L31 WeakPolarHBondContact OG1-CG 3.45Å |
| 30 | R | 94.5 | Very high | 94.5 | Very high | 214 Ų | 214 | 53.1 Ų | 53.1 | 81% | 0.808 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 33.2 | 179.6 | -51.4 | -179 | -176.9 | -161 | -0.4 | 113.7 | T26 D27 N32 | T26-R30 CarbonylContact O-C 3.51Å; T26-R30 WeakPolarHBondContact O-CA 3.35Å; T26-R30 PolarHBondContact O-N 2.99Å; D27-R30 PolarHBondContact O-N 3.23Å; R30-N32 PolarHBondContact O-ND2 2.59Å |
| 31 | L | 95.1 | Very high | 94 | Very high | 38 Ų | 38 | 53.1 Ų | 53.1 | 20% | 0.199 | 26% | 0.262 | C | S | . | . | trans | -73.3 | 131.6 | 174.8 | -66.6 | 173.8 | 0 | 0 | 0 | 109.9 | I21 T26 T29 R54 V56 F58 | I21-L31 HydrophobicContact CD1-CD1 4.14Å; T26-L31 HydrophobicContact CG2-CB 4.3Å; T26-L31 HydrophobicContact CG2-CD1 4.36Å; T26-L31 PolarHBondContact O-N 2.65Å; T29-L31 PolarHBondContact O-N 3.3Å; T29-L31 WeakPolarHBondContact OG1-CD1 3.26Å; T29-L31 WeakPolarHBondContact OG1-CG 3.45Å; L31-R54 PolarHBondContact O-NH1 3.23Å; L31-V56 HydrophobicContact CB-CB 4.14Å; L31-V56 HydrophobicContact CB-CG1 4.1Å; L31-V56 HydrophobicContact CB-CG2 4.49Å; L31-V56 HydrophobicContact CD1-CG2 4.44Å; L31-F58 HydrophobicContact CD1-CB 3.89Å; L31-F58 HydrophobicContact CD1-CD1 4.3Å; L31-F58 HydrophobicContact CD1-CG 4.34Å; L31-F58 HydrophobicContact CD2-CB 4.43Å | ||
| 32 | N | 94.2 | Very high | 93.3 | Very high | 121 Ų | 121 | 54.8 Ų | 54.8 | 65% | 0.647 | 27% | 0.272 | S | S | * | . | trans | -129.7 | 160.1 | 179.6 | -72.6 | -54.4 | 0 | 0 | 0 | 110.3 | R30 | R30-N32 PolarHBondContact O-ND2 2.59Š| ||
| 33 | G | 95.7 | Very high | 92.4 | Very high | 35 Ų | 35 | 59.9 Ų | 59.9 | 36% | 0.361 | 30% | 0.299 | S | S | . | . | trans | 176.6 | -178.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R55 | G33-R55 CarbonylContact C-O 3.54Å; G33-R55 VanDerWaalsContact CA-O 3.26Å; G33-R55 WeakPolarHBondContact CA-O 3.05Å | ||
| 34 | P | 96.3 | Very high | 91.7 | Very high | 68 Ų | 68 | 62.6 Ų | 62.6 | 44% | 0.442 | 32% | 0.315 | S | S | . | . | trans | -65.3 | 157.3 | -175.7 | 28.4 | -35.6 | 0 | 0 | 0 | 112 | R54 R55 | P34-R54 CarbonylContact O-C 3.47Å; P34-R54 WeakPolarHBondContact O-CA 3.2Å; P34-R55 WeakPolarHBondContact CD-O 3.4Å; P34-R55 PolarHBondContact O-N 3.13Å | ||
| 35 | L | 95.1 | Very high | 90.7 | Very high | 90 Ų | 90 | 59.4 Ų | 59.4 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 134.4 | 173.7 | -65.8 | 176.1 | 0 | 0 | 0 | 110.7 | T53 R54 | L35-T53 CarbonylContact C-O 3.59Å; L35-T53 WeakPolarHBondContact CA-O 3.25Å; L35-R54 HydrophobicContact CD2-CG 3.79Å |
| 36 | E | 92.6 | Very high | 89.9 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 17% | 0.173 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 149.3 | 174.2 | -63.3 | -166.5 | 169.7 | 0 | 0 | 110.9 | R18 R52 T53 R55 L80 | R18-E36 IonicContact NH2-OE2 2.93Å; E36-R52 CarbonylContact O-C 3.58Å; E36-R52 VanDerWaalsContact O-CA 3.3Å; E36-R52 WeakPolarHBondContact O-CA 3.43Å; E36-T53 PolarHBondContact N-O 2.92Å; E36-T53 PolarHBondContact O-N 2.98Å; E36-R55 HydrophobicContact CG-CB 4.34Å; E36-R55 IonicContact OE1-CZ 3.68Å; E36-R55 VanDerWaalsContact OE1-CZ 3.28Å; E36-R55 IonicContact OE1-NE 3.82Å; E36-R55 PolarHBondContact OE1-NE 3.03Å; E36-R55 IonicContact OE1-NH2 3.82Å; E36-R55 PolarHBondContact OE1-NH2 2.91Å; E36-R55 IonicContact OE2-NE 2.71Å; E36-L80 HydrophobicContact CB-CD2 4.2Å; E36-L80 WeakPolarHBondContact OE2-CD2 3.36Å |
| 37 | Y | 91.4 | Very high | 89.1 | Confident | 46 Ų | 46 | 69.7 Ų | 69.7 | 18% | 0.18 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 127.5 | 173 | -85.9 | -100.4 | 0 | 0 | 0 | 110.5 | R52 M175 D177 P178 N179 | Y37-R52 HydrophobicContact CD1-CG 4.06Å; Y37-R52 HydrophobicContact CD2-CG 3.8Å; Y37-R52 HydrophobicContact CE1-CG 3.7Å; Y37-R52 HydrophobicContact CE2-CG 3.36Å; Y37-R52 HydrophobicContact CG-CG 4.13Å; Y37-R52 VanDerWaalsContact CZ-CD 3.46Å; Y37-R52 WeakPolarHBondContact OH-CD 3.35Å; Y37-M175 PolarHBondContact O-N 2.93Å; Y37-D177 HydrophobicContact CD2-CB 3.45Å; Y37-D177 VanDerWaalsContact CD2-CB 3.45Å; Y37-D177 HydrophobicContact CE2-CB 3.7Å; Y37-D177 WeakPolarHBondContact CE2-OD1 3.46Å; Y37-D177 WeakPolarHBondContact CE2-OD2 3.42Å; Y37-D177 HydrophobicContact CG-CB 4.24Å; Y37-D177 VanDerWaalsContact CZ-OD1 3.28Å; Y37-P178 HydrophobicContact CD1-CG 4.47Å; Y37-P178 HydrophobicContact CE1-CG 4.45Å; Y37-N179 PolarHBondContact OH-ND2 3.32Å |
| 38 | V | 91.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.012 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 128.5 | -178.6 | -177.5 | 0 | 0 | 0 | 0 | 109 | I40 C50 K51 T53 L80 Q173 V174 | V38-I40 HydrophobicContact CG1-CG1 4.03Å; V38-C50 CarbonylContact O-C 3.58Å; V38-C50 WeakPolarHBondContact O-CA 3.49Å; V38-K51 PolarHBondContact N-O 3.34Å; V38-K51 PolarHBondContact O-N 2.89Å; V38-T53 HydrophobicContact CB-CG2 4.43Å; V38-T53 HydrophobicContact CG2-CG2 3.6Å; V38-L80 HydrophobicContact CG2-CD1 3.97Å; V38-L80 HydrophobicContact CG2-CD2 4.09Å; V38-Q173 WeakPolarHBondContact CA-O 3.34Å; V38-V174 HydrophobicContact CG2-CG2 4.33Å |
| 39 | E | 90.1 | Very high | 88.1 | Confident | 23 Ų | 23 | 70.7 Ų | 70.7 | 11% | 0.107 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.7 | 166.3 | 176.2 | 175.2 | 109.9 | 0 | 0 | 109.1 | K48 Y49 A172 Q173 M175 | E39-K48 IonicContact OE1-NZ 3.76Å; E39-K48 PolarHBondContact OE1-NZ 2.97Å; E39-K48 IonicContact OE2-NZ 3.75Å; E39-Y49 WeakPolarHBondContact CA-O 3.4Å; E39-A172 CarbonylContact O-C 3.55Å; E39-A172 WeakPolarHBondContact O-CA 3.08Å; E39-Q173 PolarHBondContact N-O 2.64Å; E39-Q173 PolarHBondContact O-N 3.38Å; E39-M175 HydrophobicContact CB-CG 4.03Å; E39-M175 HydrophobicContact CB-SD 3.46Å; E39-M175 WeakPolarHBondContact CB-SD 3.29Å; E39-M175 HydrophobicContact CG-SD 4.3Å |
| 40 | I | 86.2 | Confident | 87.7 | Confident | 26 Ų | 26 | 73 Ų | 73 | 13% | 0.133 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.3 | 174.2 | -53.9 | -178.6 | 0 | 0 | 0 | 107.6 | V38 K48 Y49 K51 L82 A172 | V38-I40 HydrophobicContact CG1-CG1 4.03Å; I40-K48 CarbonylContact O-C 3.51Å; I40-K48 WeakPolarHBondContact O-CA 3.42Å; I40-Y49 HydrophobicContact CB-CD1 3.83Å; I40-Y49 HydrophobicContact CB-CE1 3.7Å; I40-Y49 HydrophobicContact CD1-CE1 3.67Å; I40-Y49 HydrophobicContact CG1-CE1 3.99Å; I40-Y49 HydrophobicContact CG2-CE1 4.32Å; I40-Y49 PolarHBondContact N-O 3.43Å; I40-Y49 PolarHBondContact O-N 3.15Å; I40-K51 HydrophobicContact CD1-CD 4.5Å; I40-L82 HydrophobicContact CD1-CD2 3.34Å; I40-A172 HydrophobicContact CG1-CB 4.18Å |
| 41 | S | 85.9 | Confident | 87.4 | Confident | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.063 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 154.7 | -172.9 | 58.4 | 0 | 0 | 0 | 0 | 112.7 | S47 H171 | S41-S47 CarbonylContact C-O 3.51Å; S41-S47 WeakPolarHBondContact CA-O 3.29Å; S41-S47 WeakPolarHBondContact CB-O 3.31Å; S41-H171 PolarHBondContact N-O 2.84Å; S41-H171 PolarHBondContact O-N 2.85Å; S41-H171 VanDerWaalsContact O-O 3.09Å; S41-H171 PolarHBondContact OG-ND1 3.4Å; S41-H171 PolarHBondContact OG-O 2.86Å |
| 42 | T | 82.1 | Confident | 87.3 | Confident | 37 Ų | 37 | 68.6 Ų | 68.6 | 23% | 0.227 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 155.6 | 166.9 | 45.7 | 0 | 0 | 0 | 0 | 111.3 | D44 G45 S47 L170 | T42-D44 PolarHBondContact O-N 3.19Å; T42-D44 PolarHBondContact OG1-OD1 3.3Å; T42-G45 PolarHBondContact O-N 2.88Å; T42-S47 WeakPolarHBondContact CB-OG 3.34Å; T42-S47 WeakPolarHBondContact CG2-OG 3.3Å; T42-S47 PolarHBondContact N-O 3.34Å; T42-S47 PolarHBondContact OG1-N 2.94Å; T42-S47 PolarHBondContact OG1-OG 3.37Å; T42-L170 HydrophobicContact CG2-CD2 3.92Å |
| 43 | L | 78.1 | Confident | 87.3 | Confident | 106 Ų | 106 | 63 Ų | 63 | 56% | 0.555 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 116 | 163.7 | -64.8 | -166.6 | 0 | 0 | 0 | 108.5 | S169 H171 | L43-S169 WeakPolarHBondContact CD1-OG 3.14Å; L43-S169 WeakPolarHBondContact CG-OG 3.31Å; L43-H171 HydrophobicContact CD2-CB 4.38Å |
| 44 | D | 81.9 | Confident | 87.3 | Confident | 115 Ų | 115 | 63.8 Ų | 63.8 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.3 | -12.3 | -168.7 | 72.1 | 5.4 | 0 | 0 | 0 | 114.3 | T42 Q46 | T42-D44 PolarHBondContact O-N 3.19Å; T42-D44 PolarHBondContact OG1-OD1 3.3Å; D44-Q46 HydrophobicContact CB-CG 4.04Å; D44-Q46 PolarHBondContact O-N 3.18Å; D44-Q46 VanDerWaalsContact O-N 3.11Å; D44-Q46 VanDerWaalsContact OD1-CB 3.31Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.4Å; D44-Q46 WeakPolarHBondContact OD1-CG 3.45Å; D44-Q46 PolarHBondContact OD1-N 3.05Å; D44-Q46 WeakPolarHBondContact OD2-CG 3.44Å |
| 45 | G | 77 | Confident | 87.3 | Confident | 35 Ų | 35 | 63.4 Ų | 63.4 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 63.9 | 9.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T42 S47 | T42-G45 PolarHBondContact O-N 2.88Å; G45-S47 PolarHBondContact O-N 2.67Å |
| 46 | Q | 78.9 | Confident | 87.4 | Confident | 162 Ų | 162 | 59.2 Ų | 59.2 | 76% | 0.757 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -66.5 | -30.4 | -178.2 | -68.1 | -63.8 | -53.3 | 0 | 0 | 112.1 | D44 | D44-Q46 HydrophobicContact CB-CG 4.04Å; D44-Q46 PolarHBondContact O-N 3.18Å; D44-Q46 VanDerWaalsContact O-N 3.11Å; D44-Q46 VanDerWaalsContact OD1-CB 3.31Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.4Å; D44-Q46 WeakPolarHBondContact OD1-CG 3.45Å; D44-Q46 PolarHBondContact OD1-N 3.05Å; D44-Q46 WeakPolarHBondContact OD2-CG 3.44Å |
| 47 | S | 79.9 | Confident | 87.7 | Confident | 60 Ų | 60 | 63 Ų | 63 | 42% | 0.42 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -119.1 | 131.5 | 169.3 | 67.6 | 0 | 0 | 0 | 0 | 109.8 | S41 T42 G45 | S41-S47 CarbonylContact C-O 3.51Å; S41-S47 WeakPolarHBondContact CA-O 3.29Å; S41-S47 WeakPolarHBondContact CB-O 3.31Å; T42-S47 WeakPolarHBondContact CB-OG 3.34Å; T42-S47 WeakPolarHBondContact CG2-OG 3.3Å; T42-S47 PolarHBondContact N-O 3.34Å; T42-S47 PolarHBondContact OG1-N 2.94Å; T42-S47 PolarHBondContact OG1-OG 3.37Å; G45-S47 PolarHBondContact O-N 2.67Å |
| 48 | K | 83.3 | Confident | 88 | Confident | 124 Ų | 124 | 62.1 Ų | 62.1 | 54% | 0.539 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.9 | 173.6 | -62.5 | -173.5 | 164.5 | -140.3 | 0 | 108.2 | E39 I40 | E39-K48 IonicContact OE1-NZ 3.76Å; E39-K48 PolarHBondContact OE1-NZ 2.97Å; E39-K48 IonicContact OE2-NZ 3.75Å; I40-K48 CarbonylContact O-C 3.51Å; I40-K48 WeakPolarHBondContact O-CA 3.42Å |
| 49 | Y | 85.5 | Confident | 88.2 | Confident | 108 Ų | 108 | 63 Ų | 63 | 42% | 0.424 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 141.3 | 166.1 | 102.9 | -86.3 | 0 | 0 | 0 | 110.2 | E39 I40 K51 | E39-Y49 WeakPolarHBondContact CA-O 3.4Å; I40-Y49 HydrophobicContact CB-CD1 3.83Å; I40-Y49 HydrophobicContact CB-CE1 3.7Å; I40-Y49 HydrophobicContact CD1-CE1 3.67Å; I40-Y49 HydrophobicContact CG1-CE1 3.99Å; I40-Y49 HydrophobicContact CG2-CE1 4.32Å; I40-Y49 PolarHBondContact N-O 3.43Å; I40-Y49 PolarHBondContact O-N 3.15Å; Y49-K51 HydrophobicContact CD2-CB 4.48Å; Y49-K51 HydrophobicContact CE2-CB 3.73Å; Y49-K51 HydrophobicContact CE2-CD 3.82Å; Y49-K51 HydrophobicContact CE2-CG 3.85Å; Y49-K51 WeakPolarHBondContact OH-CD 3.37Å |
| 50 | C | 86.3 | Confident | 88.4 | Confident | 77 Ų | 77 | 62.7 Ų | 62.7 | 52% | 0.52 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 141.1 | 178.4 | -57.2 | 0 | 0 | 0 | 0 | 109.8 | V38 | V38-C50 CarbonylContact O-C 3.58Å; V38-C50 WeakPolarHBondContact O-CA 3.49Å |
| 51 | K | 89.2 | Confident | 88.8 | Confident | 31 Ų | 31 | 62.5 Ų | 62.5 | 14% | 0.135 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 152.7 | 170.9 | 58.2 | 176.2 | -93.5 | 172.3 | 0 | 111.4 | E23 V38 I40 Y49 T53 | E23-K51 IonicContact OE1-NZ 3.3Å; E23-K51 PolarHBondContact OE1-NZ 3.49Å; V38-K51 PolarHBondContact N-O 3.34Å; V38-K51 PolarHBondContact O-N 2.89Å; I40-K51 HydrophobicContact CD1-CD 4.5Å; Y49-K51 HydrophobicContact CD2-CB 4.48Å; Y49-K51 HydrophobicContact CE2-CB 3.73Å; Y49-K51 HydrophobicContact CE2-CD 3.82Å; Y49-K51 HydrophobicContact CE2-CG 3.85Å; Y49-K51 WeakPolarHBondContact OH-CD 3.37Å; K51-T53 WeakPolarHBondContact CE-OG1 3.36Å |
| 52 | R | 91.9 | Very high | 89 | Confident | 128 Ų | 128 | 62.9 Ų | 62.9 | 48% | 0.483 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 134.4 | 157.4 | -62.7 | -172.3 | 76.5 | -174.9 | 3.1 | 108.7 | E36 Y37 | E36-R52 CarbonylContact O-C 3.58Å; E36-R52 VanDerWaalsContact O-CA 3.3Å; E36-R52 WeakPolarHBondContact O-CA 3.43Å; Y37-R52 HydrophobicContact CD1-CG 4.06Å; Y37-R52 HydrophobicContact CD2-CG 3.8Å; Y37-R52 HydrophobicContact CE1-CG 3.7Å; Y37-R52 HydrophobicContact CE2-CG 3.36Å; Y37-R52 HydrophobicContact CG-CG 4.13Å; Y37-R52 VanDerWaalsContact CZ-CD 3.46Å; Y37-R52 WeakPolarHBondContact OH-CD 3.35Å |
| 53 | T | 93.8 | Very high | 89.2 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 154.8 | 176.6 | -158.1 | 0 | 0 | 0 | 0 | 111.9 | L35 E36 V38 K51 L80 C81 | L35-T53 CarbonylContact C-O 3.59Å; L35-T53 WeakPolarHBondContact CA-O 3.25Å; E36-T53 PolarHBondContact N-O 2.92Å; E36-T53 PolarHBondContact O-N 2.98Å; V38-T53 HydrophobicContact CB-CG2 4.43Å; V38-T53 HydrophobicContact CG2-CG2 3.6Å; K51-T53 WeakPolarHBondContact CE-OG1 3.36Å; T53-L80 HydrophobicContact CG2-CB 4.12Å; T53-L80 HydrophobicContact CG2-CD2 3.95Å; T53-C81 WeakPolarHBondContact CB-O 3.45Å; T53-C81 WeakPolarHBondContact OG1-CB 3.25Å; T53-C81 PolarHBondContact OG1-O 3.12Å |
| 54 | R | 96 | Very high | 89 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 19% | 0.192 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 136.1 | 175 | -69.2 | 176.9 | -69.8 | -175.1 | -6.8 | 109.6 | T26 D27 L31 P34 L35 V56 C81 | T26-R54 PolarHBondContact OG1-NH2 2.76Å; D27-R54 IonicContact OD1-CZ 2.67Å; D27-R54 IonicContact OD1-NH1 2.97Å; D27-R54 PolarHBondContact OD1-NH1 3.16Å; D27-R54 IonicContact OD1-NH2 3.28Å; D27-R54 PolarHBondContact OD1-NH2 2.66Å; L31-R54 PolarHBondContact O-NH1 3.23Å; P34-R54 CarbonylContact O-C 3.47Å; P34-R54 WeakPolarHBondContact O-CA 3.2Å; L35-R54 HydrophobicContact CD2-CG 3.79Å; R54-V56 HydrophobicContact CB-CG1 4.09Å; R54-C81 HydrophobicContact CB-CB 4.34Å; R54-C81 WeakPolarHBondContact O-CB 3.43Å; R54-C81 PolarHBondContact O-N 3.32Å; R54-C81 PolarHBondContact O-SG 3.3Å; R54-C81 VanDerWaalsContact O-SG 3.39Å |
| 55 | R | 97 | Very high | 87.8 | Confident | 60 Ų | 60 | 63.6 Ų | 63.6 | 23% | 0.226 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 125.8 | 154.1 | 175.2 | 168.8 | 47.4 | 84.3 | 2.8 | 107.7 | G33 P34 E36 E78 A79 L80 | G33-R55 CarbonylContact C-O 3.54Å; G33-R55 VanDerWaalsContact CA-O 3.26Å; G33-R55 WeakPolarHBondContact CA-O 3.05Å; P34-R55 WeakPolarHBondContact CD-O 3.4Å; P34-R55 PolarHBondContact O-N 3.13Å; E36-R55 HydrophobicContact CG-CB 4.34Å; E36-R55 IonicContact OE1-CZ 3.68Å; E36-R55 VanDerWaalsContact OE1-CZ 3.28Å; E36-R55 IonicContact OE1-NE 3.82Å; E36-R55 PolarHBondContact OE1-NE 3.03Å; E36-R55 IonicContact OE1-NH2 3.82Å; E36-R55 PolarHBondContact OE1-NH2 2.91Å; E36-R55 IonicContact OE2-NE 2.71Å; R55-E78 HydrophobicContact CG-CB 4.4Å; R55-E78 IonicContact CZ-OE1 3.57Å; R55-E78 IonicContact NH1-OE1 3.04Å; R55-E78 PolarHBondContact NH1-OE1 2.72Å; R55-A79 WeakPolarHBondContact CA-O 3.33Å; R55-L80 HydrophobicContact CB-CD2 4.11Å |
| 56 | V | 97.6 | Very high | 86.7 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 155.4 | 179.4 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | I21 T26 L31 R54 F58 E78 A79 | I21-V56 HydrophobicContact CG2-CG2 3.6Å; T26-V56 HydrophobicContact CG2-CG1 4.35Å; T26-V56 HydrophobicContact CG2-CG2 3.83Å; L31-V56 HydrophobicContact CB-CB 4.14Å; L31-V56 HydrophobicContact CB-CG1 4.1Å; L31-V56 HydrophobicContact CB-CG2 4.49Å; L31-V56 HydrophobicContact CD1-CG2 4.44Å; R54-V56 HydrophobicContact CB-CG1 4.09Å; V56-F58 HydrophobicContact CG2-CD1 4.19Å; V56-F58 HydrophobicContact CG2-CE1 4.45Å; V56-E78 CarbonylContact O-C 3.53Å; V56-E78 VanDerWaalsContact O-CA 3.31Å; V56-E78 WeakPolarHBondContact O-CA 3.36Å; V56-A79 PolarHBondContact N-O 2.87Å; V56-A79 PolarHBondContact O-N 3.49Å |
| 57 | Q | 97.6 | Very high | 85.1 | Confident | 117 Ų | 117 | 66.3 Ų | 66.3 | 55% | 0.547 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.3 | 174.3 | -172.8 | 179.6 | 86.1 | 0 | 0 | 110 | T76 V77 E78 | Q57-T76 VanDerWaalsContact CD-CG2 3.43Å; Q57-T76 HydrophobicContact CG-CG2 3.32Å; Q57-V77 WeakPolarHBondContact CA-O 3.28Å; Q57-E78 HydrophobicContact CB-CG 4.27Å; Q57-E78 HydrophobicContact CG-CG 4.2Å |
| 58 | F | 97.2 | Very high | 83.7 | Confident | 27 Ų | 27 | 74.6 Ų | 74.6 | 12% | 0.118 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 170.3 | 176.2 | 58.9 | -83 | 0 | 0 | 0 | 110.3 | I21 L31 V56 L60 T76 V77 A79 V120 | I21-F58 HydrophobicContact CB-CE1 4.18Å; I21-F58 HydrophobicContact CB-CZ 4.45Å; I21-F58 HydrophobicContact CD1-CD1 3.85Å; I21-F58 HydrophobicContact CD1-CE1 3.61Å; I21-F58 HydrophobicContact CD1-CE2 4.47Å; I21-F58 HydrophobicContact CD1-CG 4.4Å; I21-F58 HydrophobicContact CD1-CZ 3.96Å; I21-F58 HydrophobicContact CG1-CE1 4.46Å; I21-F58 HydrophobicContact CG2-CE1 4.41Å; L31-F58 HydrophobicContact CD1-CB 3.89Å; L31-F58 HydrophobicContact CD1-CD1 4.3Å; L31-F58 HydrophobicContact CD1-CG 4.34Å; L31-F58 HydrophobicContact CD2-CB 4.43Å; V56-F58 HydrophobicContact CG2-CD1 4.19Å; V56-F58 HydrophobicContact CG2-CE1 4.45Å; F58-L60 HydrophobicContact CD2-CD2 4Å; F58-L60 HydrophobicContact CD2-CG 4.02Å; F58-L60 HydrophobicContact CE2-CD1 3.98Å; F58-L60 HydrophobicContact CE2-CD2 3.78Å; F58-L60 HydrophobicContact CE2-CG 3.7Å; F58-T76 CarbonylContact O-C 3.56Å; F58-T76 WeakPolarHBondContact O-CA 3.34Å; F58-V77 HydrophobicContact CE1-CG1 4.43Å; F58-V77 HydrophobicContact CE2-CB 4.35Å; F58-V77 HydrophobicContact CZ-CB 4.22Å; F58-V77 HydrophobicContact CZ-CG1 4.07Å; F58-V77 PolarHBondContact N-O 3.48Å; F58-V77 PolarHBondContact O-N 2.84Å; F58-A79 HydrophobicContact CE1-CB 3.68Å; F58-A79 HydrophobicContact CZ-CB 4.15Å; F58-V120 HydrophobicContact CE2-CG1 4.1Å; F58-V120 HydrophobicContact CE2-CG2 4.25Å; F58-V120 HydrophobicContact CZ-CG1 3.84Å; F58-V120 HydrophobicContact CZ-CG2 4.28Å |
| 59 | A | 95.7 | Very high | 82.2 | Confident | 22 Ų | 22 | 81.1 Ų | 81.1 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 135.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 W74 R75 | M1-A59 HydrophobicContact CE-CB 3.9Å; M1-A59 HydrophobicContact SD-CB 3.75Å; A59-W74 HydrophobicContact CB-CB 4.38Å; A59-W74 HydrophobicContact CB-CE3 3.78Å; A59-W74 HydrophobicContact CB-CZ3 4.5Å; A59-W74 WeakPolarHBondContact O-CZ3 3.42Å; A59-R75 CarbonylContact C-O 3.58Å; A59-R75 VanDerWaalsContact CA-O 3.25Å; A59-R75 WeakPolarHBondContact CA-O 3.32Å |
| 60 | L | 95.9 | Very high | 81 | Confident | 16 Ų | 16 | 78.7 Ų | 78.7 | 8% | 0.084 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 148 | 175.9 | -65.4 | 177.6 | 0 | 0 | 0 | 111.1 | V8 F58 W74 R75 V120 I122 F130 F150 | V8-L60 HydrophobicContact CG2-CD2 4.15Å; F58-L60 HydrophobicContact CD2-CD2 4Å; F58-L60 HydrophobicContact CD2-CG 4.02Å; F58-L60 HydrophobicContact CE2-CD1 3.98Å; F58-L60 HydrophobicContact CE2-CD2 3.78Å; F58-L60 HydrophobicContact CE2-CG 3.7Å; L60-W74 CarbonylContact O-C 3.57Å; L60-W74 WeakPolarHBondContact O-CA 3.3Å; L60-R75 PolarHBondContact N-O 3.3Å; L60-R75 PolarHBondContact O-N 3.29Å; L60-V120 HydrophobicContact CD1-CG1 4.28Å; L60-I122 HydrophobicContact CD1-CD1 3.85Å; L60-I122 HydrophobicContact CD1-CG1 4.31Å; L60-F130 HydrophobicContact CB-CE1 3.87Å; L60-F130 HydrophobicContact CB-CZ 4.04Å; L60-F130 HydrophobicContact CD1-CE1 4.19Å; L60-F130 HydrophobicContact CD1-CZ 3.94Å; L60-F150 HydrophobicContact CB-CE1 4.04Å; L60-F150 HydrophobicContact CB-CZ 4.02Å; L60-F150 HydrophobicContact CD1-CZ 4.14Å |
| 61 | S | 93.3 | Very high | 80.1 | Confident | 22 Ų | 22 | 79.9 Ų | 79.9 | 15% | 0.154 | 41% | 0.41 | C | S | . | . | trans | -154 | 162.5 | 172.8 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | K72 W74 | S61-K72 WeakPolarHBondContact OG-CD 3.47Å; S61-K72 WeakPolarHBondContact OG-CE 3.49Å; S61-K72 PolarHBondContact OG-NZ 2.91Å; S61-W74 WeakPolarHBondContact OG-CH2 3.31Å; S61-W74 WeakPolarHBondContact OG-CZ2 3.33Å; S61-W74 WeakPolarHBondContact OG-CZ3 3.45Å | ||
| 62 | A | 91.2 | Very high | 79.3 | Confident | 17 Ų | 17 | 81.2 Ų | 81.2 | 14% | 0.14 | 42% | 0.416 | C | S | . | . | trans | -57.1 | 145.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K72 | A62-K72 WeakPolarHBondContact O-CE 3.27Å; A62-K72 PolarHBondContact O-NZ 2.85Å | ||
| 63 | L | 86.2 | Confident | 79.1 | Confident | 114 Ų | 114 | 80.1 Ų | 80.1 | 60% | 0.597 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -60.2 | -55.2 | 175.6 | -177.8 | 63.2 | 0 | 0 | 0 | 110.5 | V7 S65 | V7-L63 HydrophobicContact CB-CD1 4.49Å; V7-L63 HydrophobicContact CG1-CD1 4.22Å; V7-L63 HydrophobicContact CG2-CD1 3.46Å; V7-L63 VanDerWaalsContact CG2-CD1 3.46Å; L63-S65 PolarHBondContact O-N 2.99Å |
| 64 | D | 74.3 | Confident | 79.1 | Confident | 104 Ų | 104 | 83.8 Ų | 83.8 | 56% | 0.556 | 43% | 0.429 | S | S | * | . | trans | -98.8 | 77.4 | 179.2 | -67.3 | -16.1 | 0 | 0 | 0 | 110.8 | G66 K106 | D64-G66 PolarHBondContact O-N 2.9Å; D64-K106 PolarHBondContact O-NZ 2.91Å; D64-K106 VanDerWaalsContact O-NZ 3.12Å; D64-K106 IonicContact OD2-NZ 3.82Å | ||
| 65 | S | 56.2 | Low | 79 | Confident | 54 Ų | 54 | 85.1 Ų | 85.1 | 38% | 0.378 | 44% | 0.435 | S | S | . | . | trans | -74.1 | 78 | 151.5 | 59.9 | 0 | 0 | 0 | 0 | 106.6 | L63 E67 K72 | L63-S65 PolarHBondContact O-N 2.99Å; S65-E67 PolarHBondContact O-N 2.71Å; S65-K72 WeakPolarHBondContact OG-CD 3.43Å; S65-K72 WeakPolarHBondContact OG-CE 3.5Å | ||
| 66 | G | 53.2 | Low | 79 | Confident | 51 Ų | 51 | 85.1 Ų | 85.1 | 53% | 0.526 | 44% | 0.441 | S | S | . | . | trans | -47 | 135.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | D64 R68 | D64-G66 PolarHBondContact O-N 2.9Å; G66-R68 PolarHBondContact O-N 2.93Å | ||
| 67 | E | 46.1 | Very low | 79.1 | Confident | 203 Ų | 203 | 85 Ų | 85 | 95% | 0.949 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -58.4 | 21.4 | -171.4 | -59.7 | 175.3 | 147.5 | 0 | 0 | 115.3 | S65 R69 | S65-E67 PolarHBondContact O-N 2.71Å; E67-R69 PolarHBondContact O-N 3.39Å |
| 68 | R | 50.8 | Low | 79.1 | Confident | 234 Ų | 234 | 82.3 Ų | 82.3 | 88% | 0.883 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -67.8 | 76.8 | 171.6 | -68.4 | -168.7 | 176.9 | -152.7 | -0.5 | 110.1 | G66 G70 | G66-R68 PolarHBondContact O-N 2.93Å; R68-G70 PolarHBondContact O-N 2.91Å |
| 69 | R | 52.1 | Low | 79.1 | Confident | 261 Ų | 261 | 81 Ų | 81 | 99% | 0.985 | 42% | 0.422 | S | S | * | . | S | Bend | trans | 43.1 | -1.8 | 156.5 | -80.3 | -174.6 | 174.1 | -142.6 | -0.4 | 120.4 | E67 | E67-R69 PolarHBondContact O-N 3.39Š|
| 70 | G | 58.6 | Low | 79.2 | Confident | 58 Ų | 58 | 80 Ų | 80 | 60% | 0.598 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -100.8 | 133.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | R68 K72 | R68-G70 PolarHBondContact O-N 2.91Å; G70-K72 PolarHBondContact O-N 3.04Å |
| 71 | A | 67.1 | Low | 79.2 | Confident | 101 Ų | 101 | 79.2 Ų | 79.2 | 84% | 0.835 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 135.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q73 | A71-Q73 PolarHBondContact O-N 2.69Å; A71-Q73 VanDerWaalsContact O-N 3.08Å |
| 72 | K | 74.3 | Confident | 79.2 | Confident | 59 Ų | 59 | 78.8 Ų | 78.8 | 26% | 0.257 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -52 | 120 | 173.8 | -173.2 | 172.9 | -150.7 | -156.1 | 0 | 108.8 | S61 A62 S65 G70 W74 | S61-K72 WeakPolarHBondContact OG-CD 3.47Å; S61-K72 WeakPolarHBondContact OG-CE 3.49Å; S61-K72 PolarHBondContact OG-NZ 2.91Å; A62-K72 WeakPolarHBondContact O-CE 3.27Å; A62-K72 PolarHBondContact O-NZ 2.85Å; S65-K72 WeakPolarHBondContact OG-CD 3.43Å; S65-K72 WeakPolarHBondContact OG-CE 3.5Å; G70-K72 PolarHBondContact O-N 3.04Å; K72-W74 HydrophobicContact CD-CZ2 3.7Å; K72-W74 PolarHBondContact O-N 3.08Å |
| 73 | Q | 87.7 | Confident | 79.3 | Confident | 105 Ų | 105 | 81.4 Ų | 81.4 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | trans | -80.8 | 106.2 | -177.8 | -170.3 | 174.4 | -14.3 | 0 | 0 | 108.9 | A71 R75 L149 | A71-Q73 PolarHBondContact O-N 2.69Å; A71-Q73 VanDerWaalsContact O-N 3.08Å; Q73-R75 VanDerWaalsContact CG-NH1 3.31Å; Q73-L149 HydrophobicContact CB-CD1 3.98Å; Q73-L149 HydrophobicContact CG-CD1 3.65Å | ||
| 74 | W | 92.3 | Very high | 79.5 | Confident | 81 Ų | 81 | 81.1 Ų | 81.1 | 31% | 0.307 | 42% | 0.416 | S | S | . | . | trans | -91.8 | 148.1 | 174.3 | -65 | 87.8 | 0 | 0 | 0 | 110.2 | A59 L60 S61 K72 | A59-W74 HydrophobicContact CB-CB 4.38Å; A59-W74 HydrophobicContact CB-CE3 3.78Å; A59-W74 HydrophobicContact CB-CZ3 4.5Å; A59-W74 WeakPolarHBondContact O-CZ3 3.42Å; L60-W74 CarbonylContact O-C 3.57Å; L60-W74 WeakPolarHBondContact O-CA 3.3Å; S61-W74 WeakPolarHBondContact OG-CH2 3.31Å; S61-W74 WeakPolarHBondContact OG-CZ2 3.33Å; S61-W74 WeakPolarHBondContact OG-CZ3 3.45Å; K72-W74 HydrophobicContact CD-CZ2 3.7Å; K72-W74 PolarHBondContact O-N 3.08Å | ||
| 75 | R | 95.5 | Very high | 80.4 | Confident | 80 Ų | 80 | 77.1 Ų | 77.1 | 30% | 0.302 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 120.9 | 169.6 | -70.5 | -64.7 | 177.9 | -109.5 | 20.8 | 109.2 | A59 L60 Q73 F130 L149 | A59-R75 CarbonylContact C-O 3.58Å; A59-R75 VanDerWaalsContact CA-O 3.25Å; A59-R75 WeakPolarHBondContact CA-O 3.32Å; L60-R75 PolarHBondContact N-O 3.3Å; L60-R75 PolarHBondContact O-N 3.29Å; Q73-R75 VanDerWaalsContact CG-NH1 3.31Å; R75-F130 HydrophobicContact CB-CE1 3.73Å; R75-F130 HydrophobicContact CB-CE2 4.26Å; R75-F130 HydrophobicContact CB-CZ 3.5Å; R75-F130 VanDerWaalsContact CB-CZ 3.5Å; R75-F130 HydrophobicContact CG-CE1 4.11Å; R75-F130 HydrophobicContact CG-CZ 4.21Å; R75-L149 HydrophobicContact CB-CD2 4.19Å; R75-L149 HydrophobicContact CG-CD2 3.39Å |
| 76 | T | 97 | Very high | 81.9 | Confident | 59 Ų | 59 | 76.4 Ų | 76.4 | 36% | 0.362 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 134.1 | 173.7 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | Q57 F58 Y126 | Q57-T76 VanDerWaalsContact CD-CG2 3.43Å; Q57-T76 HydrophobicContact CG-CG2 3.32Å; F58-T76 CarbonylContact O-C 3.56Å; F58-T76 WeakPolarHBondContact O-CA 3.34Å; T76-Y126 WeakPolarHBondContact O-CE1 3.33Å |
| 77 | V | 98 | Very high | 83.6 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 138.3 | -179 | 174.5 | 0 | 0 | 0 | 0 | 107.8 | Q57 F58 I122 Y126 F130 | Q57-V77 WeakPolarHBondContact CA-O 3.28Å; F58-V77 HydrophobicContact CE1-CG1 4.43Å; F58-V77 HydrophobicContact CE2-CB 4.35Å; F58-V77 HydrophobicContact CZ-CB 4.22Å; F58-V77 HydrophobicContact CZ-CG1 4.07Å; F58-V77 PolarHBondContact N-O 3.48Å; F58-V77 PolarHBondContact O-N 2.84Å; V77-I122 HydrophobicContact CB-CD1 4.5Å; V77-I122 HydrophobicContact CG1-CD1 3.85Å; V77-I122 HydrophobicContact CG2-CD1 4.02Å; V77-Y126 HydrophobicContact CB-CD2 4.43Å; V77-Y126 HydrophobicContact CG1-CD2 3.75Å; V77-Y126 HydrophobicContact CG1-CE2 3.95Å; V77-Y126 HydrophobicContact CG1-CG 4.23Å; V77-Y126 HydrophobicContact CG2-CD1 4.29Å; V77-Y126 HydrophobicContact CG2-CD2 4.48Å; V77-Y126 HydrophobicContact CG2-CG 4.14Å; V77-F130 HydrophobicContact CG2-CE2 3.68Å; V77-F130 HydrophobicContact CG2-CZ 3.63Å |
| 78 | E | 97.9 | Very high | 85.7 | Confident | 60 Ų | 60 | 70.5 Ų | 70.5 | 28% | 0.28 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.2 | 163 | -64 | -169.7 | 108.1 | 0 | 0 | 109.8 | R55 V56 Q57 Y126 | R55-E78 HydrophobicContact CG-CB 4.4Å; R55-E78 IonicContact CZ-OE1 3.57Å; R55-E78 IonicContact NH1-OE1 3.04Å; R55-E78 PolarHBondContact NH1-OE1 2.72Å; V56-E78 CarbonylContact O-C 3.53Å; V56-E78 VanDerWaalsContact O-CA 3.31Å; V56-E78 WeakPolarHBondContact O-CA 3.36Å; Q57-E78 HydrophobicContact CB-CG 4.27Å; Q57-E78 HydrophobicContact CG-CG 4.2Å; E78-Y126 HydrophobicContact CB-CE2 4.45Å; E78-Y126 WeakPolarHBondContact CB-OH 3.32Å; E78-Y126 PolarHBondContact N-OH 3.04Å; E78-Y126 WeakPolarHBondContact O-CE2 3.44Å |
| 79 | A | 97.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 153.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S19 I21 R55 V56 F58 | S19-A79 VanDerWaalsContact O-CA 3.29Å; S19-A79 WeakPolarHBondContact O-CA 3.46Å; S19-A79 WeakPolarHBondContact O-CB 3.45Å; I21-A79 HydrophobicContact CB-CB 4.11Å; I21-A79 HydrophobicContact CG2-CB 3.89Å; R55-A79 WeakPolarHBondContact CA-O 3.33Å; V56-A79 PolarHBondContact N-O 2.87Å; V56-A79 PolarHBondContact O-N 3.49Å; F58-A79 HydrophobicContact CE1-CB 3.68Å; F58-A79 HydrophobicContact CZ-CB 4.15Å |
| 80 | L | 97.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 136.2 | 174.6 | -65 | 163.3 | 0 | 0 | 0 | 110.8 | S19 F20 I21 E36 V38 T53 R55 V174 | S19-L80 PolarHBondContact O-N 2.91Å; F20-L80 VanDerWaalsContact CA-O 3.31Å; F20-L80 WeakPolarHBondContact CA-O 3.16Å; F20-L80 HydrophobicContact CD1-CB 3.76Å; F20-L80 HydrophobicContact CD1-CD1 4.5Å; F20-L80 HydrophobicContact CE1-CB 3.94Å; F20-L80 HydrophobicContact CE1-CD1 3.87Å; I21-L80 PolarHBondContact N-O 2.84Å; E36-L80 HydrophobicContact CB-CD2 4.2Å; E36-L80 WeakPolarHBondContact OE2-CD2 3.36Å; V38-L80 HydrophobicContact CG2-CD1 3.97Å; V38-L80 HydrophobicContact CG2-CD2 4.09Å; T53-L80 HydrophobicContact CG2-CB 4.12Å; T53-L80 HydrophobicContact CG2-CD2 3.95Å; R55-L80 HydrophobicContact CB-CD2 4.11Å; L80-V174 HydrophobicContact CD1-CG2 3.38Å |
| 81 | C | 96.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 132.1 | 178 | -66.6 | 0 | 0 | 0 | 0 | 111.4 | I21 E23 T26 T53 R54 | I21-C81 CarbonylContact O-C 3.56Å; I21-C81 VanDerWaalsContact O-CA 3.28Å; I21-C81 WeakPolarHBondContact O-CA 3.42Å; E23-C81 HydrophobicContact CG-CB 3.87Å; T26-C81 VanDerWaalsContact CG2-SG 3.53Å; T53-C81 WeakPolarHBondContact CB-O 3.45Å; T53-C81 WeakPolarHBondContact OG1-CB 3.25Å; T53-C81 PolarHBondContact OG1-O 3.12Å; R54-C81 HydrophobicContact CB-CB 4.34Å; R54-C81 WeakPolarHBondContact O-CB 3.43Å; R54-C81 PolarHBondContact O-N 3.32Å; R54-C81 PolarHBondContact O-SG 3.3Å; R54-C81 VanDerWaalsContact O-SG 3.39Å |
| 82 | L | 93.9 | Very high | 91.5 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 7% | 0.073 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 145.8 | 170.2 | -64.3 | -178.4 | 0 | 0 | 0 | 109.9 | F20 I21 T22 E23 I40 K84 | F20-L82 HydrophobicContact CB-CD1 4.08Å; F20-L82 HydrophobicContact CB-CG 4.47Å; F20-L82 HydrophobicContact CD1-CD1 3.46Å; F20-L82 VanDerWaalsContact CD1-CD1 3.46Å; F20-L82 HydrophobicContact CD1-CD2 4.42Å; F20-L82 HydrophobicContact CD1-CG 3.74Å; F20-L82 HydrophobicContact CE1-CD1 4.02Å; F20-L82 HydrophobicContact CE1-CG 4.42Å; F20-L82 HydrophobicContact CG-CD1 3.79Å; F20-L82 HydrophobicContact CG-CG 4.37Å; I21-L82 PolarHBondContact O-N 3.45Å; T22-L82 CarbonylContact C-O 3.56Å; T22-L82 WeakPolarHBondContact CA-O 3.42Å; E23-L82 PolarHBondContact N-O 2.74Å; I40-L82 HydrophobicContact CD1-CD2 3.34Å; L82-K84 PolarHBondContact O-N 3.44Å |
| 83 | S | 92.3 | Very high | 92.2 | Very high | 71 Ų | 71 | 52.2 Ų | 52.2 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -62.5 | -34.7 | 173.8 | 56.9 | 0 | 0 | 0 | 0 | 111.3 | E23 | E23-S83 WeakPolarHBondContact OE2-CA 3.43Å; E23-S83 WeakPolarHBondContact OE2-CB 3.29Å; E23-S83 PolarHBondContact OE2-N 3.02Å |
| 84 | K | 91.1 | Very high | 92.4 | Very high | 108 Ų | 108 | 53 Ų | 53 | 47% | 0.47 | 29% | 0.289 | S | S | . | . | trans | -149.3 | 129.7 | 177 | -177.9 | 176.4 | 176.3 | -179.7 | 0 | 110.2 | L82 C86 | L82-K84 PolarHBondContact O-N 3.44Å; K84-C86 VanDerWaalsContact CE-C 3.43Å; K84-C86 WeakPolarHBondContact CE-O 3.07Å; K84-C86 WeakPolarHBondContact CG-O 3.45Å | ||
| 85 | I | 92.2 | Very high | 92.4 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -79.7 | -56.2 | 175.7 | -66.4 | 174 | 0 | 0 | 0 | 110.2 | F20 T22 I118 E119 L121 | F20-I85 HydrophobicContact CB-CD1 4.32Å; F20-I85 HydrophobicContact CB-CG1 4.24Å; T22-I85 HydrophobicContact CG2-CD1 4.02Å; T22-I85 HydrophobicContact CG2-CG1 4.05Å; I85-I118 HydrophobicContact CD1-CG2 4.2Å; I85-I118 HydrophobicContact CG2-CG2 4.17Å; I85-E119 WeakPolarHBondContact CD1-O 3.37Å; I85-L121 HydrophobicContact CD1-CB 4.21Å; I85-L121 HydrophobicContact CG2-CB 3.82Å; I85-L121 HydrophobicContact CG2-CD1 3.71Å; I85-L121 HydrophobicContact CG2-CG 4.42Å |
| 86 | C | 88.9 | Confident | 92.3 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 27% | 0.27 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -147.4 | 173 | 178.6 | 66.6 | 0 | 0 | 0 | 0 | 110.7 | K84 I118 | K84-C86 VanDerWaalsContact CE-C 3.43Å; K84-C86 WeakPolarHBondContact CE-O 3.07Å; K84-C86 WeakPolarHBondContact CG-O 3.45Å; C86-I118 VanDerWaalsContact SG-CG1 3.59Å |
| 87 | S | 89.2 | Confident | 92.1 | Very high | 57 Ų | 57 | 58.9 Ų | 58.9 | 40% | 0.399 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -60.9 | 153.4 | 165.7 | -69.9 | 0 | 0 | 0 | 0 | 110.6 | I89 | S87-I89 PolarHBondContact O-N 3.35Š|
| 88 | P | 89.9 | Confident | 92 | Very high | 72 Ų | 72 | 66.4 Ų | 66.4 | 47% | 0.468 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -49.3 | 133 | 173.7 | -27.8 | 36 | 0 | 0 | 0 | 111.3 | C115 S116 | P88-C115 VanDerWaalsContact CB-SG 3.51Å; P88-S116 CarbonylContact C-O 3.5Å; P88-S116 VanDerWaalsContact CA-O 3.31Å; P88-S116 WeakPolarHBondContact CA-O 3.29Å |
| 89 | I | 87.4 | Confident | 91.8 | Very high | 50 Ų | 50 | 63.9 Ų | 63.9 | 26% | 0.256 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -74 | 138.9 | 176.4 | 53.4 | 162.6 | 0 | 0 | 0 | 109.2 | M9 S87 R113 C115 S116 I118 | M9-I89 HydrophobicContact CG-CD1 4.27Å; S87-I89 PolarHBondContact O-N 3.35Å; I89-R113 VanDerWaalsContact CD1-CZ 3.41Å; I89-C115 WeakPolarHBondContact O-CA 3.48Å; I89-C115 PolarHBondContact O-SG 3.33Å; I89-C115 VanDerWaalsContact O-SG 3.34Å; I89-S116 WeakPolarHBondContact CG1-O 3.26Å; I89-S116 PolarHBondContact N-O 2.85Å; I89-S116 PolarHBondContact O-N 3.13Å; I89-S116 VanDerWaalsContact O-N 3.08Å; I89-I118 HydrophobicContact CD1-CD1 3.72Å; I89-I118 HydrophobicContact CG1-CD1 4.11Å; I89-I118 HydrophobicContact CG1-CG1 4.49Å; I89-I118 HydrophobicContact CG2-CD1 4.05Å; I89-I118 HydrophobicContact CG2-CG1 3.85Å |
| 90 | Q | 86.3 | Confident | 91.7 | Very high | 132 Ų | 132 | 71.8 Ų | 71.8 | 62% | 0.617 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 159.5 | -178.4 | -67.1 | -176.6 | -18.7 | 0 | 0 | 111.5 | R113 | Q90-R113 PolarHBondContact O-NH2 2.86Š|
| 91 | A | 87.9 | Confident | 91.7 | Very high | 60 Ų | 60 | 73.2 Ų | 73.2 | 50% | 0.496 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 141.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R113 | A91-R113 CarbonylContact C-O 3.47Å; A91-R113 WeakPolarHBondContact CA-O 3.41Å; A91-R113 WeakPolarHBondContact CB-O 3.44Å |
| 92 | N | 87.8 | Confident | 91.7 | Very high | 31 Ų | 31 | 73.6 Ų | 73.6 | 17% | 0.166 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -91.5 | 140 | 173.3 | -70.6 | -18 | 0 | 0 | 0 | 109.6 | D109 F111 P112 R113 M158 | N92-D109 PolarHBondContact ND2-OD2 2.91Å; N92-F111 HydrophobicContact CB-CD1 3.96Å; N92-F111 HydrophobicContact CB-CE1 3.84Å; N92-P112 VanDerWaalsContact O-CA 3.29Å; N92-P112 WeakPolarHBondContact O-CA 3.29Å; N92-P112 WeakPolarHBondContact O-CB 3.47Å; N92-R113 HydrophobicContact CB-CB 4.48Å; N92-R113 VanDerWaalsContact CG-NH2 3.34Å; N92-R113 PolarHBondContact N-O 2.96Å; N92-R113 PolarHBondContact ND2-NH2 3.48Å; N92-R113 PolarHBondContact O-N 2.82Å; N92-R113 PolarHBondContact OD1-NH2 2.85Å; N92-M158 HydrophobicContact CB-CE 4.14Å; N92-M158 VanDerWaalsContact OD1-CE 3.31Å; N92-M158 WeakPolarHBondContact OD1-CE 3.31Å |
| 93 | P | 89.2 | Confident | 91.8 | Very high | 56 Ų | 56 | 77.7 Ų | 77.7 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 173.4 | 179.3 | 32.4 | -36.1 | 0 | 0 | 0 | 111.7 | F111 M158 | P93-F111 WeakPolarHBondContact O-CD1 3.49Å; P93-M158 HydrophobicContact CG-CB 3.81Å; P93-M158 HydrophobicContact CG-SD 4.45Å |
| 94 | L | 92.2 | Very high | 91.9 | Very high | 122 Ų | 122 | 78.6 Ų | 78.6 | 64% | 0.639 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 143.4 | 164.4 | -82.3 | 163.4 | 0 | 0 | 0 | 110.7 | Q96 P112 | L94-Q96 PolarHBondContact O-N 2.78Å; L94-P112 HydrophobicContact CD2-CG 4.46Å; L94-P112 HydrophobicContact CG-CG 4.46Å |
| 95 | L | 92.6 | Very high | 92.1 | Very high | 68 Ų | 68 | 74.5 Ų | 74.5 | 36% | 0.356 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 130.8 | 170.3 | -64.3 | 175.1 | 0 | 0 | 0 | 109.9 | W99 L102 L107 F111 | L95-W99 HydrophobicContact CB-CE3 4.42Å; L95-W99 HydrophobicContact CD2-CE3 4.13Å; L95-W99 HydrophobicContact CD2-CZ3 4.09Å; L95-L102 HydrophobicContact CD2-CD1 4.06Å; L95-L107 HydrophobicContact CD1-CD1 3.49Å; L95-L107 VanDerWaalsContact CD1-CD1 3.49Å; L95-L107 HydrophobicContact CD2-CD1 4.16Å; L95-L107 HydrophobicContact CG-CD1 4.37Å; L95-F111 HydrophobicContact CD1-CB 4.32Å; L95-F111 HydrophobicContact CD1-CD2 4.48Å; L95-F111 HydrophobicContact CD1-CG 4.43Å; L95-F111 HydrophobicContact CD2-CB 4.09Å; L95-F111 HydrophobicContact CD2-CD1 3.69Å; L95-F111 HydrophobicContact CD2-CD2 4.1Å; L95-F111 HydrophobicContact CD2-CE1 4.17Å; L95-F111 HydrophobicContact CD2-CG 3.67Å; L95-F111 HydrophobicContact CG-CB 3.65Å; L95-F111 HydrophobicContact CG-CD1 4.23Å; L95-F111 HydrophobicContact CG-CD2 4.29Å; L95-F111 HydrophobicContact CG-CG 3.79Å |
| 96 | Q | 92.8 | Very high | 92.2 | Very high | 58 Ų | 58 | 78.5 Ų | 78.5 | 27% | 0.271 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 132 | -179.8 | -59.4 | 179.8 | -11.7 | 0 | 0 | 110 | L94 R98 W99 | L94-Q96 PolarHBondContact O-N 2.78Å; Q96-R98 HydrophobicContact CB-CG 3.95Å; Q96-R98 PolarHBondContact O-N 2.95Å; Q96-W99 HydrophobicContact CB-CD2 3.74Å; Q96-W99 HydrophobicContact CB-CE3 3.93Å; Q96-W99 HydrophobicContact CB-CG 4.26Å; Q96-W99 HydrophobicContact CB-CH2 4.21Å; Q96-W99 HydrophobicContact CB-CZ2 4.04Å; Q96-W99 HydrophobicContact CB-CZ3 4.18Å; Q96-W99 HydrophobicContact CG-CD2 4.28Å; Q96-W99 HydrophobicContact CG-CE3 4.27Å; Q96-W99 HydrophobicContact CG-CH2 3.67Å; Q96-W99 HydrophobicContact CG-CZ2 3.68Å; Q96-W99 HydrophobicContact CG-CZ3 3.99Å; Q96-W99 WeakPolarHBondContact O-CB 3.2Å; Q96-W99 PolarHBondContact O-N 3.31Å |
| 97 | R | 94 | Very high | 92.4 | Very high | 217 Ų | 217 | 78.3 Ų | 78.3 | 82% | 0.819 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -21.1 | 178 | -172.1 | 177.2 | 62.8 | 78.3 | -0.7 | 114.2 | W99 H103 | R97-W99 VanDerWaalsContact C-N 3.33Å; R97-H103 PolarHBondContact O-CE1 3.02Å; R97-H103 PolarHBondContact O-NE2 2.65Å |
| 98 | R | 93.9 | Very high | 92.6 | Very high | 159 Ų | 159 | 78.7 Ų | 78.7 | 60% | 0.6 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -22.6 | 175.9 | 61.9 | 174.5 | 164.2 | -171.1 | -3.7 | 113.5 | Q96 K100 | Q96-R98 HydrophobicContact CB-CG 3.95Å; Q96-R98 PolarHBondContact O-N 2.95Å; R98-K100 PolarHBondContact O-N 3.39Å |
| 99 | W | 94.5 | Very high | 92.6 | Very high | 7 Ų | 7 | 77.2 Ų | 77.2 | 3% | 0.027 | 39% | 0.394 | C | S | . | . | trans | -78.1 | 66.1 | 179.9 | -58.6 | -27 | 0 | 0 | 0 | 111.6 | L95 Q96 R97 H101 L102 H103 P143 M158 | L95-W99 HydrophobicContact CB-CE3 4.42Å; L95-W99 HydrophobicContact CD2-CE3 4.13Å; L95-W99 HydrophobicContact CD2-CZ3 4.09Å; Q96-W99 HydrophobicContact CB-CD2 3.74Å; Q96-W99 HydrophobicContact CB-CE3 3.93Å; Q96-W99 HydrophobicContact CB-CG 4.26Å; Q96-W99 HydrophobicContact CB-CH2 4.21Å; Q96-W99 HydrophobicContact CB-CZ2 4.04Å; Q96-W99 HydrophobicContact CB-CZ3 4.18Å; Q96-W99 HydrophobicContact CG-CD2 4.28Å; Q96-W99 HydrophobicContact CG-CE3 4.27Å; Q96-W99 HydrophobicContact CG-CH2 3.67Å; Q96-W99 HydrophobicContact CG-CZ2 3.68Å; Q96-W99 HydrophobicContact CG-CZ3 3.99Å; Q96-W99 WeakPolarHBondContact O-CB 3.2Å; Q96-W99 PolarHBondContact O-N 3.31Å; R97-W99 VanDerWaalsContact C-N 3.33Å; W99-H101 PolarHBondContact O-N 2.76Å; W99-L102 HydrophobicContact CB-CB 4.43Å; W99-L102 HydrophobicContact CB-CD1 3.93Å; W99-L102 HydrophobicContact CB-CG 4.07Å; W99-L102 HydrophobicContact CD2-CD1 4.32Å; W99-L102 HydrophobicContact CE3-CD1 3.86Å; W99-L102 HydrophobicContact CG-CD1 4.4Å; W99-L102 WeakPolarHBondContact O-CB 3.3Å; W99-L102 PolarHBondContact O-N 3.25Å; W99-H103 PolarHBondContact O-CD2 2.88Å; W99-P143 HydrophobicContact CD2-CG 3.77Å; W99-P143 VanDerWaalsContact CE2-CD 3.47Å; W99-P143 HydrophobicContact CE3-CG 3.97Å; W99-P143 HydrophobicContact CG-CG 4.29Å; W99-P143 HydrophobicContact CH2-CG 4.21Å; W99-P143 HydrophobicContact CZ2-CG 4.01Å; W99-P143 HydrophobicContact CZ3-CG 4.17Å; W99-M158 HydrophobicContact CH2-CB 3.79Å; W99-M158 HydrophobicContact CH2-CG 4.06Å; W99-M158 WeakPolarHBondContact CH2-O 3.44Å; W99-M158 HydrophobicContact CZ2-CB 4.42Å; W99-M158 WeakPolarHBondContact CZ2-O 3.3Å; W99-M158 HydrophobicContact CZ3-CG 4.49Å | ||
| 100 | K | 96 | Very high | 92.8 | Very high | 166 Ų | 166 | 84.3 Ų | 84.3 | 72% | 0.722 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -58.3 | -31.5 | -175.1 | -66.3 | 179.4 | -177.9 | 176.7 | 0 | 113.1 | R98 L102 H103 | R98-K100 PolarHBondContact O-N 3.39Å; K100-L102 PolarHBondContact O-N 3.12Å; K100-H103 WeakPolarHBondContact O-CB 3.44Å; K100-H103 PolarHBondContact O-N 3.18Å; K100-H103 VanDerWaalsContact O-N 3.12Å |
| 101 | H | 96.7 | Very high | 93.1 | Very high | 30 Ų | 30 | 79.7 Ų | 79.7 | 14% | 0.139 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -65.8 | -21 | 178 | 60.3 | -66.1 | 0 | 0 | 0 | 113.5 | W99 G138 E142 P143 | W99-H101 PolarHBondContact O-N 2.76Å; H101-G138 PolarHBondContact CD2-N 3.45Å; H101-G138 VanDerWaalsContact CE1-CA 3.44Å; H101-G138 WeakPolarHBondContact CE1-CA 3.37Å; H101-G138 PolarHBondContact NE2-N 3.4Å; H101-E142 IonicContact CE1-OE2 2.69Å; H101-P143 PolarHBondContact NE2-O 3.33Å |
| 102 | L | 96.6 | Very high | 93.3 | Very high | 8 Ų | 8 | 80.8 Ų | 80.8 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -87.8 | -11.6 | 175.2 | -55.8 | -173.9 | 0 | 0 | 0 | 113.1 | L95 W99 K100 L105 P143 A145 V154 | L95-L102 HydrophobicContact CD2-CD1 4.06Å; W99-L102 HydrophobicContact CB-CB 4.43Å; W99-L102 HydrophobicContact CB-CD1 3.93Å; W99-L102 HydrophobicContact CB-CG 4.07Å; W99-L102 HydrophobicContact CD2-CD1 4.32Å; W99-L102 HydrophobicContact CE3-CD1 3.86Å; W99-L102 HydrophobicContact CG-CD1 4.4Å; W99-L102 WeakPolarHBondContact O-CB 3.3Å; W99-L102 PolarHBondContact O-N 3.25Å; K100-L102 PolarHBondContact O-N 3.12Å; L102-L105 HydrophobicContact CD2-CD1 4.13Å; L102-L105 WeakPolarHBondContact O-CB 3.41Å; L102-L105 WeakPolarHBondContact O-CG 3.31Å; L102-L105 PolarHBondContact O-N 2.78Å; L102-P143 HydrophobicContact CD1-CG 4.09Å; L102-A145 HydrophobicContact CD2-CB 3.41Å; L102-A145 VanDerWaalsContact CD2-CB 3.41Å; L102-V154 HydrophobicContact CD1-CG1 4.15Å; L102-V154 HydrophobicContact CD1-CG2 4.26Å; L102-V154 HydrophobicContact CD2-CG2 4.42Å |
| 103 | H | 95.7 | Very high | 93.5 | Very high | 100 Ų | 100 | 80.2 Ų | 80.2 | 46% | 0.463 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 138.8 | -178.3 | -67.1 | -179.2 | 0 | 0 | 0 | 111.7 | R97 W99 K100 L105 | R97-H103 PolarHBondContact O-CE1 3.02Å; R97-H103 PolarHBondContact O-NE2 2.65Å; W99-H103 PolarHBondContact O-CD2 2.88Å; K100-H103 WeakPolarHBondContact O-CB 3.44Å; K100-H103 PolarHBondContact O-N 3.18Å; K100-H103 VanDerWaalsContact O-N 3.12Å; H103-L105 PolarHBondContact O-N 2.82Å |
| 104 | G | 94.6 | Very high | 93.6 | Very high | 89 Ų | 89 | 85.3 Ų | 85.3 | 92% | 0.918 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 0.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 105 | L | 95.4 | Very high | 93.6 | Very high | 23 Ų | 23 | 83.4 Ų | 83.4 | 12% | 0.12 | 41% | 0.407 | C | S | . | . | trans | -74.2 | 134.9 | 173.1 | -64 | -173.7 | 0 | 0 | 0 | 110.7 | L102 H103 L107 A145 W152 | L102-L105 HydrophobicContact CD2-CD1 4.13Å; L102-L105 WeakPolarHBondContact O-CB 3.41Å; L102-L105 WeakPolarHBondContact O-CG 3.31Å; L102-L105 PolarHBondContact O-N 2.78Å; H103-L105 PolarHBondContact O-N 2.82Å; L105-L107 HydrophobicContact CB-CD2 3.75Å; L105-L107 HydrophobicContact CB-CG 4.45Å; L105-L107 HydrophobicContact CD1-CD2 4.31Å; L105-L107 PolarHBondContact O-N 2.83Å; L105-L107 VanDerWaalsContact O-N 3.15Å; L105-A145 HydrophobicContact CD1-CB 3.5Å; L105-W152 HydrophobicContact CB-CB 4.25Å; L105-W152 HydrophobicContact CB-CG 4.16Å; L105-W152 HydrophobicContact CD1-CB 4.29Å; L105-W152 HydrophobicContact CD1-CD2 3.99Å; L105-W152 HydrophobicContact CD1-CE3 4.07Å; L105-W152 HydrophobicContact CD1-CG 4.11Å; L105-W152 HydrophobicContact CD2-CD2 3.76Å; L105-W152 HydrophobicContact CD2-CE3 4.43Å; L105-W152 HydrophobicContact CD2-CG 3.92Å; L105-W152 HydrophobicContact CD2-CZ2 4.13Å; L105-W152 HydrophobicContact CG-CD2 4.39Å; L105-W152 HydrophobicContact CG-CG 4.31Å | ||
| 106 | K | 94.1 | Very high | 93.6 | Very high | 104 Ų | 104 | 81.5 Ų | 81.5 | 45% | 0.452 | 40% | 0.4 | S | S | . | . | trans | -77 | 96 | 165.2 | -176.1 | -178 | -177.5 | -180 | 0 | 108.5 | D64 S151 W152 | D64-K106 PolarHBondContact O-NZ 2.91Å; D64-K106 VanDerWaalsContact O-NZ 3.12Å; D64-K106 IonicContact OD2-NZ 3.82Å; K106-S151 WeakPolarHBondContact O-CB 2.95Å; K106-S151 PolarHBondContact O-OG 3.49Å; K106-W152 PolarHBondContact O-N 2.98Å | ||
| 107 | L | 94.3 | Very high | 93.7 | Very high | 35 Ų | 35 | 82.6 Ų | 82.6 | 18% | 0.183 | 40% | 0.404 | C | S | . | . | B | Isolated β-bridge | trans | -77.5 | 143.5 | 178.5 | -56.4 | -175.2 | 0 | 0 | 0 | 111.4 | L95 L105 F111 W152 V154 | L95-L107 HydrophobicContact CD1-CD1 3.49Å; L95-L107 VanDerWaalsContact CD1-CD1 3.49Å; L95-L107 HydrophobicContact CD2-CD1 4.16Å; L95-L107 HydrophobicContact CG-CD1 4.37Å; L105-L107 HydrophobicContact CB-CD2 3.75Å; L105-L107 HydrophobicContact CB-CG 4.45Å; L105-L107 HydrophobicContact CD1-CD2 4.31Å; L105-L107 PolarHBondContact O-N 2.83Å; L105-L107 VanDerWaalsContact O-N 3.15Å; L107-F111 HydrophobicContact CB-CE2 4.41Å; L107-F111 HydrophobicContact CD1-CD2 3.74Å; L107-F111 HydrophobicContact CD1-CE2 3.73Å; L107-W152 CarbonylContact C-O 3.36Å; L107-W152 VanDerWaalsContact CA-O 3.27Å; L107-W152 WeakPolarHBondContact CA-O 3.34Å; L107-W152 HydrophobicContact CD2-CB 3.86Å; L107-V154 HydrophobicContact CD1-CG2 3.85Å; L107-V154 HydrophobicContact CD2-CG2 3.84Å; L107-V154 HydrophobicContact CG-CG2 4.47Å |
| 108 | V | 92.2 | Very high | 93.8 | Very high | 66 Ų | 66 | 72.5 Ų | 72.5 | 40% | 0.4 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -76.7 | -40.8 | 176.7 | -174.7 | 0 | 0 | 0 | 0 | 111.3 | F150 W152 I153 | V108-F150 HydrophobicContact CG1-CB 4.03Å; V108-F150 VanDerWaalsContact CG2-C 3.46Å; V108-F150 HydrophobicContact CG2-CB 3.82Å; V108-F150 VanDerWaalsContact CG2-O 3.25Å; V108-F150 WeakPolarHBondContact CG2-O 3.34Å; V108-W152 WeakPolarHBondContact CG2-O 3.36Å; V108-W152 PolarHBondContact N-O 2.85Å; V108-I153 HydrophobicContact CB-CG2 4.19Å; V108-I153 HydrophobicContact CG2-CG2 4.02Å |
| 109 | D | 90.6 | Very high | 94 | Very high | 41 Ų | 41 | 66.1 Ų | 66.1 | 22% | 0.219 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -88.9 | 158.3 | -179.7 | -162.6 | 12.6 | 0 | 0 | 0 | 111.5 | N92 F111 R113 | N92-D109 PolarHBondContact ND2-OD2 2.91Å; D109-F111 HydrophobicContact CB-CE2 3.85Å; D109-F111 HydrophobicContact CB-CZ 4.2Å; D109-F111 WeakPolarHBondContact O-CD2 3.44Å; D109-R113 WeakPolarHBondContact OD1-CD 3.28Å; D109-R113 IonicContact OD1-NE 2.82Å; D109-R113 IonicContact OD2-NE 3.65Å; D109-R113 PolarHBondContact OD2-NE 2.81Å |
| 110 | R | 91 | Very high | 94.1 | Very high | 198 Ų | 198 | 65.9 Ų | 65.9 | 75% | 0.747 | 34% | 0.342 | S | S | * | . | trans | -85.3 | 145.3 | 173.6 | -63.7 | -178.9 | -179.1 | 178.5 | 0.4 | 110.2 | P112 R113 | R110-P112 CarbonylContact C-O 3.48Å; R110-P112 CarbonylContact O-C 3.48Å; R110-R113 HydrophobicContact CB-CB 4.44Å; R110-R113 WeakPolarHBondContact O-CB 3.36Å; R110-R113 PolarHBondContact O-N 2.83Å | ||
| 111 | F | 92.2 | Very high | 94.2 | Very high | 36 Ų | 36 | 58.6 Ų | 58.6 | 16% | 0.158 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -133.7 | 106.4 | 175.2 | -67.5 | -91.8 | 0 | 0 | 0 | 108.9 | N92 P93 L95 L107 D109 V154 M158 | N92-F111 HydrophobicContact CB-CD1 3.96Å; N92-F111 HydrophobicContact CB-CE1 3.84Å; P93-F111 WeakPolarHBondContact O-CD1 3.49Å; L95-F111 HydrophobicContact CD1-CB 4.32Å; L95-F111 HydrophobicContact CD1-CD2 4.48Å; L95-F111 HydrophobicContact CD1-CG 4.43Å; L95-F111 HydrophobicContact CD2-CB 4.09Å; L95-F111 HydrophobicContact CD2-CD1 3.69Å; L95-F111 HydrophobicContact CD2-CD2 4.1Å; L95-F111 HydrophobicContact CD2-CE1 4.17Å; L95-F111 HydrophobicContact CD2-CG 3.67Å; L95-F111 HydrophobicContact CG-CB 3.65Å; L95-F111 HydrophobicContact CG-CD1 4.23Å; L95-F111 HydrophobicContact CG-CD2 4.29Å; L95-F111 HydrophobicContact CG-CG 3.79Å; L107-F111 HydrophobicContact CB-CE2 4.41Å; L107-F111 HydrophobicContact CD1-CD2 3.74Å; L107-F111 HydrophobicContact CD1-CE2 3.73Å; D109-F111 HydrophobicContact CB-CE2 3.85Å; D109-F111 HydrophobicContact CB-CZ 4.2Å; D109-F111 WeakPolarHBondContact O-CD2 3.44Å; F111-V154 HydrophobicContact CE1-CB 4.42Å; F111-V154 HydrophobicContact CE2-CG2 4.12Å; F111-V154 HydrophobicContact CZ-CB 3.82Å; F111-V154 HydrophobicContact CZ-CG2 3.87Å; F111-M158 HydrophobicContact CD1-SD 4.44Å; F111-M158 HydrophobicContact CE1-SD 3.73Å |
| 112 | P | 92.7 | Very high | 94.3 | Very high | 82 Ų | 82 | 57.1 Ų | 57.1 | 53% | 0.532 | 30% | 0.304 | S | S | . | . | S | Bend | cis | -76.9 | 157.5 | 5 | 35.1 | -34 | 0 | 0 | 0 | 112.4 | N92 L94 R110 | N92-P112 VanDerWaalsContact O-CA 3.29Å; N92-P112 WeakPolarHBondContact O-CA 3.29Å; N92-P112 WeakPolarHBondContact O-CB 3.47Å; L94-P112 HydrophobicContact CD2-CG 4.46Å; L94-P112 HydrophobicContact CG-CG 4.46Å; R110-P112 CarbonylContact C-O 3.48Å; R110-P112 CarbonylContact O-C 3.48Å |
| 113 | R | 91.7 | Very high | 94.3 | Very high | 20 Ų | 20 | 56.8 Ų | 56.8 | 8% | 0.075 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -121 | 140.1 | 166.8 | -179.8 | -167.4 | 43.6 | 83 | 10.8 | 108.1 | I89 Q90 A91 N92 D109 R110 S116 | I89-R113 VanDerWaalsContact CD1-CZ 3.41Å; Q90-R113 PolarHBondContact O-NH2 2.86Å; A91-R113 CarbonylContact C-O 3.47Å; A91-R113 WeakPolarHBondContact CA-O 3.41Å; A91-R113 WeakPolarHBondContact CB-O 3.44Å; N92-R113 HydrophobicContact CB-CB 4.48Å; N92-R113 VanDerWaalsContact CG-NH2 3.34Å; N92-R113 PolarHBondContact N-O 2.96Å; N92-R113 PolarHBondContact ND2-NH2 3.48Å; N92-R113 PolarHBondContact O-N 2.82Å; N92-R113 PolarHBondContact OD1-NH2 2.85Å; D109-R113 WeakPolarHBondContact OD1-CD 3.28Å; D109-R113 IonicContact OD1-NE 2.82Å; D109-R113 IonicContact OD2-NE 3.65Å; D109-R113 PolarHBondContact OD2-NE 2.81Å; R110-R113 HydrophobicContact CB-CB 4.44Å; R110-R113 WeakPolarHBondContact O-CB 3.36Å; R110-R113 PolarHBondContact O-N 2.83Å; R113-S116 PolarHBondContact NH1-OG 3.19Å |
| 114 | E | 92.6 | Very high | 94.3 | Very high | 163 Ų | 163 | 55.5 Ų | 55.5 | 76% | 0.762 | 30% | 0.299 | S | S | * | . | trans | -67.2 | 171.5 | 172.6 | -62.8 | -177.2 | 174.5 | 0 | 0 | 112.5 | S116 | E114-S116 PolarHBondContact O-N 2.56Å; E114-S116 PolarHBondContact O-OG 2.75Å | ||
| 115 | C | 91.4 | Very high | 94.5 | Very high | 81 Ų | 81 | 53.9 Ų | 53.9 | 55% | 0.547 | 27% | 0.269 | S | S | . | . | trans | -55.6 | 135.1 | 169.5 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | P88 I89 | P88-C115 VanDerWaalsContact CB-SG 3.51Å; I89-C115 WeakPolarHBondContact O-CA 3.48Å; I89-C115 PolarHBondContact O-SG 3.33Å; I89-C115 VanDerWaalsContact O-SG 3.34Å | ||
| 116 | S | 92.3 | Very high | 94.6 | Very high | 29 Ų | 29 | 55 Ų | 55 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -141.6 | 152.6 | -174.4 | -48.8 | 0 | 0 | 0 | 0 | 112.3 | P88 I89 R113 E114 | P88-S116 CarbonylContact C-O 3.5Å; P88-S116 VanDerWaalsContact CA-O 3.31Å; P88-S116 WeakPolarHBondContact CA-O 3.29Å; I89-S116 WeakPolarHBondContact CG1-O 3.26Å; I89-S116 PolarHBondContact N-O 2.85Å; I89-S116 PolarHBondContact O-N 3.13Å; I89-S116 VanDerWaalsContact O-N 3.08Å; R113-S116 PolarHBondContact NH1-OG 3.19Å; E114-S116 PolarHBondContact O-N 2.56Å; E114-S116 PolarHBondContact O-OG 2.75Å |
| 117 | K | 94.9 | Very high | 94.8 | Very high | 81 Ų | 81 | 51.6 Ų | 51.6 | 35% | 0.352 | 26% | 0.257 | S | S | . | . | trans | -88.2 | 133 | 175.3 | -178.7 | 176.7 | 176.7 | 178.5 | 0 | 109.5 | M9 E24 | M9-K117 WeakPolarHBondContact CB-O 3.19Å; E24-K117 IonicContact OE2-NZ 3.85Å; E24-K117 PolarHBondContact OE2-NZ 2.75Å | ||
| 118 | I | 96 | Very high | 94.8 | Very high | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | trans | -75.3 | 127.4 | 165.8 | -60.8 | -56.5 | 0 | 0 | 0 | 108.5 | M9 L11 I85 C86 I89 V120 | M9-I118 HydrophobicContact CB-CD1 4.48Å; M9-I118 HydrophobicContact CG-CD1 3.6Å; L11-I118 HydrophobicContact CB-CD1 4.12Å; L11-I118 HydrophobicContact CB-CG1 4.27Å; L11-I118 HydrophobicContact CB-CG2 3.78Å; I85-I118 HydrophobicContact CD1-CG2 4.2Å; I85-I118 HydrophobicContact CG2-CG2 4.17Å; C86-I118 VanDerWaalsContact SG-CG1 3.59Å; I89-I118 HydrophobicContact CD1-CD1 3.72Å; I89-I118 HydrophobicContact CG1-CD1 4.11Å; I89-I118 HydrophobicContact CG1-CG1 4.49Å; I89-I118 HydrophobicContact CG2-CD1 4.05Å; I89-I118 HydrophobicContact CG2-CG1 3.85Å; I118-V120 WeakPolarHBondContact CG2-O 3.21Å | ||
| 119 | E | 97.5 | Very high | 95 | Very high | 25 Ų | 25 | 58.6 Ų | 58.6 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | trans | -105.5 | -25.7 | 178.7 | -67 | 174.1 | 110 | 0 | 0 | 112.5 | V8 M9 I21 T22 L25 R28 I85 | V8-E119 WeakPolarHBondContact CA-OE2 3.41Å; V8-E119 HydrophobicContact CB-CB 4.35Å; M9-E119 PolarHBondContact N-OE2 3.39Å; M9-E119 PolarHBondContact O-N 2.63Å; I21-E119 WeakPolarHBondContact CA-O 3.5Å; T22-E119 PolarHBondContact N-O 2.79Å; L25-E119 HydrophobicContact CD2-CB 3.96Å; R28-E119 IonicContact CZ-OE1 3.7Å; R28-E119 IonicContact NH2-OE1 2.64Å; R28-E119 PolarHBondContact NH2-OE1 2.84Å; I85-E119 WeakPolarHBondContact CD1-O 3.37Å | ||
| 120 | V | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 136.2 | 177.3 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | V8 M9 C10 L11 F20 I21 L25 F58 L60 I118 I122 | V8-V120 HydrophobicContact CG2-CG2 4.19Å; M9-V120 PolarHBondContact O-N 2.78Å; C10-V120 CarbonylContact C-O 3.56Å; C10-V120 VanDerWaalsContact CA-O 3.3Å; C10-V120 WeakPolarHBondContact CA-O 3.43Å; L11-V120 PolarHBondContact N-O 3.32Å; F20-V120 CarbonylContact O-C 3.54Å; F20-V120 WeakPolarHBondContact O-CA 3.49Å; I21-V120 HydrophobicContact CD1-CG2 4.32Å; I21-V120 HydrophobicContact CG1-CG2 4.17Å; L25-V120 HydrophobicContact CD2-CG2 3.85Å; F58-V120 HydrophobicContact CE2-CG1 4.1Å; F58-V120 HydrophobicContact CE2-CG2 4.25Å; F58-V120 HydrophobicContact CZ-CG1 3.84Å; F58-V120 HydrophobicContact CZ-CG2 4.28Å; L60-V120 HydrophobicContact CD1-CG1 4.28Å; I118-V120 WeakPolarHBondContact CG2-O 3.21Å; V120-I122 HydrophobicContact CG1-CD1 3.84Å; V120-I122 HydrophobicContact CG1-CG1 4.32Å |
| 121 | L | 97.7 | Very high | 95.5 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.4 | 169.7 | -178 | 164.1 | 0 | 0 | 0 | 108.1 | L11 D13 S19 F20 I85 | L11-L121 HydrophobicContact CD2-CD1 4.13Å; L11-L121 HydrophobicContact CD2-CG 4.38Å; L11-L121 CarbonylContact O-C 3.6Å; L11-L121 WeakPolarHBondContact O-CA 3.22Å; D13-L121 HydrophobicContact CB-CD1 4.23Å; D13-L121 HydrophobicContact CB-CD2 3.89Å; D13-L121 HydrophobicContact CB-CG 3.97Å; S19-L121 CarbonylContact C-O 3.46Å; S19-L121 WeakPolarHBondContact CA-O 3.01Å; S19-L121 WeakPolarHBondContact CB-O 3.08Å; F20-L121 HydrophobicContact CB-CB 4.32Å; F20-L121 HydrophobicContact CD2-CD1 4.46Å; F20-L121 HydrophobicContact CD2-CD2 4.05Å; F20-L121 PolarHBondContact N-O 2.92Å; F20-L121 PolarHBondContact O-N 2.97Å; I85-L121 HydrophobicContact CD1-CB 4.21Å; I85-L121 HydrophobicContact CG2-CB 3.82Å; I85-L121 HydrophobicContact CG2-CD1 3.71Å; I85-L121 HydrophobicContact CG2-CG 4.42Å |
| 122 | I | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 112.4 | 175.8 | -59.4 | -59.4 | 0 | 0 | 0 | 108.8 | C10 L11 L12 D13 S19 L60 V77 V120 F130 | C10-I122 VanDerWaalsContact SG-CG1 3.58Å; L11-I122 PolarHBondContact O-N 2.83Å; L12-I122 HydrophobicContact CD2-CB 3.69Å; L12-I122 HydrophobicContact CD2-CG1 3.94Å; L12-I122 HydrophobicContact CD2-CG2 4.15Å; D13-I122 PolarHBondContact N-O 3.33Å; S19-I122 WeakPolarHBondContact OG-CA 3.35Å; L60-I122 HydrophobicContact CD1-CD1 3.85Å; L60-I122 HydrophobicContact CD1-CG1 4.31Å; V77-I122 HydrophobicContact CB-CD1 4.5Å; V77-I122 HydrophobicContact CG1-CD1 3.85Å; V77-I122 HydrophobicContact CG2-CD1 4.02Å; V120-I122 HydrophobicContact CG1-CD1 3.84Å; V120-I122 HydrophobicContact CG1-CG1 4.32Å; I122-F130 HydrophobicContact CD1-CE2 4.16Å; I122-F130 HydrophobicContact CG1-CD2 4.45Å; I122-F130 HydrophobicContact CG1-CE2 4.29Å; I122-F130 HydrophobicContact CG2-CD2 3.76Å; I122-F130 HydrophobicContact CG2-CE2 4.02Å |
| 123 | G | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -86.7 | -177.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S16 S19 D125 Y126 Y127 | S16-G123 CarbonylContact O-C 3.55Å; S16-G123 VanDerWaalsContact O-CA 3.29Å; S16-G123 WeakPolarHBondContact O-CA 3.33Å; S19-G123 PolarHBondContact OG-N 2.83Å; G123-D125 VanDerWaalsContact C-OD1 3.27Å; G123-D125 PolarHBondContact O-N 3.34Å; G123-D125 VanDerWaalsContact O-N 3.12Å; G123-Y126 CarbonylContact O-C 3.59Å; G123-Y126 PolarHBondContact O-N 2.85Å; G123-Y127 WeakPolarHBondContact O-CA 3.32Å; G123-Y127 VanDerWaalsContact O-CB 3.29Å; G123-Y127 WeakPolarHBondContact O-CB 3.48Å; G123-Y127 PolarHBondContact O-N 2.6Å | ||
| 124 | L | 97 | Very high | 95.8 | Very high | 74 Ų | 74 | 58.2 Ų | 58.2 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -22.5 | 178.8 | -74.4 | 174.7 | 0 | 0 | 0 | 114.2 | A14 S16 Y126 Y128 | A14-L124 HydrophobicContact CB-CD2 4.15Å; A14-L124 WeakPolarHBondContact O-CD1 3.41Å; A14-L124 WeakPolarHBondContact O-CG 3.47Å; S16-L124 PolarHBondContact O-N 3.41Å; L124-Y126 PolarHBondContact O-N 2.93Å; L124-Y128 HydrophobicContact CD2-CE2 4.15Å |
| 125 | D | 97.2 | Very high | 96 | Very high | 55 Ų | 55 | 53.4 Ų | 53.4 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.4 | 173.2 | 53.8 | -6.8 | 0 | 0 | 0 | 113.2 | R18 S19 G123 | R18-D125 WeakPolarHBondContact CA-OD2 3.2Å; R18-D125 IonicContact NE-OD2 2.6Å; S19-D125 PolarHBondContact N-OD1 3.1Å; S19-D125 VanDerWaalsContact N-OD1 3.13Å; S19-D125 PolarHBondContact N-OD2 3.02Å; S19-D125 PolarHBondContact OG-OD1 3.42Å; G123-D125 VanDerWaalsContact C-OD1 3.27Å; G123-D125 PolarHBondContact O-N 3.34Å; G123-D125 VanDerWaalsContact O-N 3.12Å |
| 126 | Y | 98.2 | Very high | 96.3 | Very high | 46 Ų | 46 | 54.6 Ų | 54.6 | 18% | 0.18 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | 0.3 | 175.4 | -60.5 | -85.7 | 0 | 0 | 0 | 114.1 | T76 V77 E78 G123 L124 Y128 D129 F130 | T76-Y126 WeakPolarHBondContact O-CE1 3.33Å; V77-Y126 HydrophobicContact CB-CD2 4.43Å; V77-Y126 HydrophobicContact CG1-CD2 3.75Å; V77-Y126 HydrophobicContact CG1-CE2 3.95Å; V77-Y126 HydrophobicContact CG1-CG 4.23Å; V77-Y126 HydrophobicContact CG2-CD1 4.29Å; V77-Y126 HydrophobicContact CG2-CD2 4.48Å; V77-Y126 HydrophobicContact CG2-CG 4.14Å; E78-Y126 HydrophobicContact CB-CE2 4.45Å; E78-Y126 WeakPolarHBondContact CB-OH 3.32Å; E78-Y126 PolarHBondContact N-OH 3.04Å; E78-Y126 WeakPolarHBondContact O-CE2 3.44Å; G123-Y126 CarbonylContact O-C 3.59Å; G123-Y126 PolarHBondContact O-N 2.85Å; L124-Y126 PolarHBondContact O-N 2.93Å; Y126-Y128 VanDerWaalsContact C-N 3.3Å; Y126-Y128 PolarHBondContact O-N 3.38Å; Y126-Y128 VanDerWaalsContact O-N 3.16Å; Y126-D129 WeakPolarHBondContact CD1-OD2 3.31Å; Y126-D129 VanDerWaalsContact O-CB 3.28Å; Y126-D129 WeakPolarHBondContact O-CB 3.47Å; Y126-D129 PolarHBondContact O-N 3.48Å; Y126-F130 VanDerWaalsContact O-CD2 3.3Å; Y126-F130 WeakPolarHBondContact O-CD2 3.34Å |
| 127 | Y | 97.4 | Very high | 96.4 | Very high | 33 Ų | 33 | 59.4 Ų | 59.4 | 13% | 0.129 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -51.3 | -47 | -171.2 | -174.2 | -89.9 | 0 | 0 | 0 | 112.9 | L12 A14 G123 D129 F130 V131 | L12-Y127 HydrophobicContact CB-CD2 4.2Å; L12-Y127 HydrophobicContact CB-CE2 3.79Å; A14-Y127 HydrophobicContact CB-CD2 4.17Å; A14-Y127 HydrophobicContact CB-CE1 4.3Å; A14-Y127 HydrophobicContact CB-CE2 3.84Å; G123-Y127 WeakPolarHBondContact O-CA 3.32Å; G123-Y127 VanDerWaalsContact O-CB 3.29Å; G123-Y127 WeakPolarHBondContact O-CB 3.48Å; G123-Y127 PolarHBondContact O-N 2.6Å; Y127-D129 VanDerWaalsContact C-N 3.26Å; Y127-D129 PolarHBondContact O-N 2.96Å; Y127-F130 PolarHBondContact O-N 3.39Å; Y127-F130 VanDerWaalsContact O-N 3.15Å; Y127-V131 HydrophobicContact CD1-CB 4.09Å; Y127-V131 HydrophobicContact CD1-CG2 3.97Å; Y127-V131 HydrophobicContact CD2-CG2 4.47Å; Y127-V131 HydrophobicContact CE1-CB 3.72Å; Y127-V131 HydrophobicContact CE1-CG1 3.96Å; Y127-V131 HydrophobicContact CE1-CG2 3.53Å; Y127-V131 HydrophobicContact CE2-CG2 4.08Å; Y127-V131 HydrophobicContact CG-CG2 4.41Å; Y127-V131 PolarHBondContact O-N 3.31Å |
| 128 | Y | 96.1 | Very high | 96.3 | Very high | 170 Ų | 170 | 56.8 Ų | 56.8 | 67% | 0.667 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -77.1 | -7.7 | -178.8 | -64.4 | -69.6 | 0 | 0 | 0 | 114.3 | L124 Y126 F130 | L124-Y128 HydrophobicContact CD2-CE2 4.15Å; Y126-Y128 VanDerWaalsContact C-N 3.3Å; Y126-Y128 PolarHBondContact O-N 3.38Å; Y126-Y128 VanDerWaalsContact O-N 3.16Å; Y128-F130 VanDerWaalsContact C-N 3.26Å |
| 129 | D | 96.3 | Very high | 96.2 | Very high | 78 Ų | 78 | 63.4 Ų | 63.4 | 42% | 0.417 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -76.1 | -20.7 | 168.3 | -66.3 | -19.3 | 0 | 0 | 0 | 112 | Y126 Y127 | Y126-D129 WeakPolarHBondContact CD1-OD2 3.31Å; Y126-D129 VanDerWaalsContact O-CB 3.28Å; Y126-D129 WeakPolarHBondContact O-CB 3.47Å; Y126-D129 PolarHBondContact O-N 3.48Å; Y127-D129 VanDerWaalsContact C-N 3.26Å; Y127-D129 PolarHBondContact O-N 2.96Å |
| 130 | F | 96.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 67.4 Ų | 67.4 | 1% | 0.013 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -108 | -36.8 | -179.7 | -64.7 | -83.8 | 0 | 0 | 0 | 112.9 | L12 L60 R75 V77 I122 Y126 Y127 Y128 T148 L149 F150 | L12-F130 HydrophobicContact CD1-CB 4.49Å; L12-F130 HydrophobicContact CD2-CB 4.15Å; L12-F130 HydrophobicContact CD2-CG 4.49Å; L60-F130 HydrophobicContact CB-CE1 3.87Å; L60-F130 HydrophobicContact CB-CZ 4.04Å; L60-F130 HydrophobicContact CD1-CE1 4.19Å; L60-F130 HydrophobicContact CD1-CZ 3.94Å; R75-F130 HydrophobicContact CB-CE1 3.73Å; R75-F130 HydrophobicContact CB-CE2 4.26Å; R75-F130 HydrophobicContact CB-CZ 3.5Å; R75-F130 VanDerWaalsContact CB-CZ 3.5Å; R75-F130 HydrophobicContact CG-CE1 4.11Å; R75-F130 HydrophobicContact CG-CZ 4.21Å; V77-F130 HydrophobicContact CG2-CE2 3.68Å; V77-F130 HydrophobicContact CG2-CZ 3.63Å; I122-F130 HydrophobicContact CD1-CE2 4.16Å; I122-F130 HydrophobicContact CG1-CD2 4.45Å; I122-F130 HydrophobicContact CG1-CE2 4.29Å; I122-F130 HydrophobicContact CG2-CD2 3.76Å; I122-F130 HydrophobicContact CG2-CE2 4.02Å; Y126-F130 VanDerWaalsContact O-CD2 3.3Å; Y126-F130 WeakPolarHBondContact O-CD2 3.34Å; Y127-F130 PolarHBondContact O-N 3.39Å; Y127-F130 VanDerWaalsContact O-N 3.15Å; Y128-F130 VanDerWaalsContact C-N 3.26Å; F130-T148 CarbonylContact O-C 3.59Å; F130-T148 WeakPolarHBondContact O-CA 3.33Å; F130-T148 WeakPolarHBondContact O-CB 3.29Å; F130-L149 HydrophobicContact CD1-CB 4.12Å; F130-L149 HydrophobicContact CD1-CD2 3.66Å; F130-L149 HydrophobicContact CE1-CD2 3.76Å; F130-L149 PolarHBondContact O-N 3.02Å; F130-F150 AromaticContact CD1-CE1 3.77Å; F130-F150 HydrophobicContact CD1-CE1 3.77Å; F130-F150 AromaticContact CD1-CE2 3.71Å; F130-F150 HydrophobicContact CD1-CE2 3.71Å; F130-F150 AromaticContact CD1-CZ 3.25Å; F130-F150 HydrophobicContact CD1-CZ 3.25Å; F130-F150 AromaticContact CE1-CE1 3.73Å; F130-F150 HydrophobicContact CE1-CE1 3.73Å; F130-F150 HydrophobicContact CE1-CE2 4.2Å; F130-F150 AromaticContact CE1-CZ 3.31Å; F130-F150 HydrophobicContact CE1-CZ 3.31Å; F130-F150 HydrophobicContact CG-CE2 4.43Å; F130-F150 HydrophobicContact CG-CZ 4.3Å; F130-F150 HydrophobicContact CZ-CZ 4.38Å |
| 131 | V | 95.7 | Very high | 95.4 | Very high | 22 Ų | 22 | 70.8 Ų | 70.8 | 13% | 0.133 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 132.6 | -177.5 | 179.4 | 0 | 0 | 0 | 0 | 111 | L12 Y127 T148 | L12-V131 HydrophobicContact CD1-CG2 3.63Å; Y127-V131 HydrophobicContact CD1-CB 4.09Å; Y127-V131 HydrophobicContact CD1-CG2 3.97Å; Y127-V131 HydrophobicContact CD2-CG2 4.47Å; Y127-V131 HydrophobicContact CE1-CB 3.72Å; Y127-V131 HydrophobicContact CE1-CG1 3.96Å; Y127-V131 HydrophobicContact CE1-CG2 3.53Å; Y127-V131 HydrophobicContact CE2-CG2 4.08Å; Y127-V131 HydrophobicContact CG-CG2 4.41Å; Y127-V131 PolarHBondContact O-N 3.31Å; V131-T148 HydrophobicContact CG2-CG2 4.43Å |
| 132 | S | 92.4 | Very high | 95.1 | Very high | 45 Ų | 45 | 71.9 Ų | 71.9 | 32% | 0.315 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 174.9 | 174.1 | 76.8 | 0 | 0 | 0 | 0 | 111.7 | E134 R147 | S132-E134 VanDerWaalsContact C-N 3.3Å; S132-E134 PolarHBondContact O-N 3.04Å; S132-E134 PolarHBondContact OG-N 2.96Å; S132-R147 WeakPolarHBondContact CB-O 3.44Å; S132-R147 PolarHBondContact N-O 3.03Å; S132-R147 WeakPolarHBondContact OG-CB 3.08Å; S132-R147 WeakPolarHBondContact OG-CG 3.42Å; S132-R147 PolarHBondContact OG-O 3.5Å |
| 133 | Q | 92.6 | Very high | 94.9 | Very high | 196 Ų | 196 | 71.9 Ų | 71.9 | 92% | 0.916 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -7.4 | 178.4 | -60.3 | 179.3 | 25.9 | 0 | 0 | 113.6 | V135 | Q133-V135 PolarHBondContact O-N 2.88Å |
| 134 | E | 97 | Very high | 94.9 | Very high | 102 Ų | 102 | 73.5 Ų | 73.5 | 48% | 0.477 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 117.9 | -179 | -56 | 176.3 | -110 | 0 | 0 | 111.1 | S132 R147 W152 | S132-E134 VanDerWaalsContact C-N 3.3Å; S132-E134 PolarHBondContact O-N 3.04Å; S132-E134 PolarHBondContact OG-N 2.96Å; E134-R147 HydrophobicContact CB-CB 3.74Å; E134-R147 HydrophobicContact CB-CG 4.39Å; E134-R147 PolarHBondContact O-N 2.93Å; E134-W152 HydrophobicContact CB-CH2 3.94Å |
| 135 | V | 97.1 | Very high | 94.9 | Very high | 62 Ų | 62 | 70 Ų | 70 | 38% | 0.376 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 136.1 | 179.7 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | Q133 H137 V144 A145 L146 | Q133-V135 PolarHBondContact O-N 2.88Å; V135-H137 VanDerWaalsContact CG1-NE2 3.26Å; V135-H137 WeakPolarHBondContact CG1-NE2 3.44Å; V135-V144 HydrophobicContact CG1-CG1 3.32Å; V135-A145 WeakPolarHBondContact CA-O 3.37Å; V135-L146 HydrophobicContact CB-CD2 4.13Å; V135-L146 HydrophobicContact CG1-CD2 3.73Å; V135-L146 HydrophobicContact CG2-CD2 3.56Å |
| 136 | R | 97.2 | Very high | 94.8 | Very high | 106 Ų | 106 | 68.8 Ų | 68.8 | 40% | 0.4 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 108.6 | 173.3 | -71.4 | -174.2 | 178.5 | -160 | 2.1 | 110.1 | A145 W152 | R136-A145 HydrophobicContact CB-CB 3.99Å; R136-A145 PolarHBondContact N-O 3.05Å; R136-A145 PolarHBondContact O-N 3.02Å; R136-W152 HydrophobicContact CB-CZ3 4.36Å; R136-W152 HydrophobicContact CG-CH2 3.85Å; R136-W152 HydrophobicContact CG-CZ3 3.86Å |
| 137 | H | 95.6 | Very high | 94.8 | Very high | 130 Ų | 130 | 70.9 Ų | 70.9 | 60% | 0.602 | 38% | 0.376 | S | S | * | . | trans | -86.3 | 141.6 | 176.4 | -65.4 | -83.5 | 0 | 0 | 0 | 111.4 | V135 | V135-H137 VanDerWaalsContact CG1-NE2 3.26Å; V135-H137 WeakPolarHBondContact CG1-NE2 3.44Å | ||
| 138 | G | 92.8 | Very high | 94.7 | Very high | 26 Ų | 26 | 69.6 Ų | 69.6 | 27% | 0.268 | 37% | 0.372 | S | S | . | . | trans | -90.2 | -162.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111 | H101 E142 | H101-G138 PolarHBondContact CD2-N 3.45Å; H101-G138 VanDerWaalsContact CE1-CA 3.44Å; H101-G138 WeakPolarHBondContact CE1-CA 3.37Å; H101-G138 PolarHBondContact NE2-N 3.4Å; G138-E142 WeakPolarHBondContact CA-OE2 2.95Å | ||
| 139 | H | 92.9 | Very high | 94.5 | Very high | 145 Ų | 145 | 63.2 Ų | 63.2 | 67% | 0.671 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -70.2 | 169.8 | 169.3 | -52.9 | 87.9 | 0 | 0 | 0 | 111.2 | G141 E142 | H139-G141 PolarHBondContact O-N 2.97Å; H139-E142 HydrophobicContact CB-CG 4.18Å; H139-E142 IonicContact CG-OE2 2.78Å; H139-E142 PolarHBondContact N-OE2 2.99Å; H139-E142 IonicContact ND1-OE1 2.74Å; H139-E142 IonicContact ND1-OE2 3.82Å; H139-E142 PolarHBondContact ND1-OE2 3.05Å; H139-E142 VanDerWaalsContact O-CB 3.3Å; H139-E142 WeakPolarHBondContact O-CB 3.34Å; H139-E142 PolarHBondContact O-N 3.36Å |
| 140 | A | 90.2 | Very high | 94.4 | Very high | 109 Ų | 109 | 61 Ų | 61 | 90% | 0.901 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 131.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E142 | A140-E142 VanDerWaalsContact C-N 3.27Å; A140-E142 PolarHBondContact O-N 3.32Å |
| 141 | G | 88.1 | Confident | 94.2 | Very high | 72 Ų | 72 | 61.7 Ų | 61.7 | 74% | 0.742 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H139 | H139-G141 PolarHBondContact O-N 2.97Š|
| 142 | E | 92.4 | Very high | 94.2 | Very high | 35 Ų | 35 | 61.3 Ų | 61.3 | 16% | 0.164 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -88.9 | 154.2 | 169.9 | -61.4 | -170 | 144.6 | 0 | 0 | 111 | H101 G138 H139 A140 | H101-E142 IonicContact CE1-OE2 2.69Å; G138-E142 WeakPolarHBondContact CA-OE2 2.95Å; H139-E142 HydrophobicContact CB-CG 4.18Å; H139-E142 IonicContact CG-OE2 2.78Å; H139-E142 PolarHBondContact N-OE2 2.99Å; H139-E142 IonicContact ND1-OE1 2.74Å; H139-E142 IonicContact ND1-OE2 3.82Å; H139-E142 PolarHBondContact ND1-OE2 3.05Å; H139-E142 VanDerWaalsContact O-CB 3.3Å; H139-E142 WeakPolarHBondContact O-CB 3.34Å; H139-E142 PolarHBondContact O-N 3.36Å; A140-E142 VanDerWaalsContact C-N 3.27Å; A140-E142 PolarHBondContact O-N 3.32Å |
| 143 | P | 94.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -65.9 | 161.4 | 176 | 28.8 | -36.7 | 0 | 0 | 0 | 111.7 | W99 H101 L102 V154 C155 M158 | W99-P143 HydrophobicContact CD2-CG 3.77Å; W99-P143 VanDerWaalsContact CE2-CD 3.47Å; W99-P143 HydrophobicContact CE3-CG 3.97Å; W99-P143 HydrophobicContact CG-CG 4.29Å; W99-P143 HydrophobicContact CH2-CG 4.21Å; W99-P143 HydrophobicContact CZ2-CG 4.01Å; W99-P143 HydrophobicContact CZ3-CG 4.17Å; H101-P143 PolarHBondContact NE2-O 3.33Å; L102-P143 HydrophobicContact CD1-CG 4.09Å; P143-V154 HydrophobicContact CB-CG1 3.61Å; P143-V154 HydrophobicContact CG-CG1 4.15Å; P143-C155 CarbonylContact C-O 3.56Å; P143-C155 WeakPolarHBondContact CA-O 3.42Å; P143-C155 WeakPolarHBondContact CB-O 3.3Å; P143-M158 HydrophobicContact CB-CG 4.1Å; P143-M158 HydrophobicContact CG-CG 4.33Å | ||
| 144 | V | 95.6 | Very high | 94.4 | Very high | 34 Ų | 34 | 52.6 Ų | 52.6 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 141.4 | 176.7 | 176.7 | 0 | 0 | 0 | 0 | 109 | V135 L146 V154 C155 | V135-V144 HydrophobicContact CG1-CG1 3.32Å; V144-L146 HydrophobicContact CG1-CD2 4.19Å; V144-V154 CarbonylContact O-C 3.53Å; V144-V154 WeakPolarHBondContact O-CA 3.39Å; V144-C155 PolarHBondContact N-O 3.25Å; V144-C155 PolarHBondContact O-N 3.05Å |
| 145 | A | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L102 L105 V135 R136 W152 I153 | L102-A145 HydrophobicContact CD2-CB 3.41Å; L102-A145 VanDerWaalsContact CD2-CB 3.41Å; L105-A145 HydrophobicContact CD1-CB 3.5Å; V135-A145 WeakPolarHBondContact CA-O 3.37Å; R136-A145 HydrophobicContact CB-CB 3.99Å; R136-A145 PolarHBondContact N-O 3.05Å; R136-A145 PolarHBondContact O-N 3.02Å; A145-W152 HydrophobicContact CB-CE3 3.83Å; A145-W152 HydrophobicContact CB-CZ3 4.25Å; A145-I153 CarbonylContact C-O 3.58Å; A145-I153 VanDerWaalsContact CA-O 3.29Å; A145-I153 WeakPolarHBondContact CA-O 3.48Å |
| 146 | L | 96.3 | Very high | 93.6 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.2 | 175.1 | -62.6 | 177.1 | 0 | 0 | 0 | 109.6 | V135 V144 W152 I153 C155 | V135-L146 HydrophobicContact CB-CD2 4.13Å; V135-L146 HydrophobicContact CG1-CD2 3.73Å; V135-L146 HydrophobicContact CG2-CD2 3.56Å; V144-L146 HydrophobicContact CG1-CD2 4.19Å; L146-W152 WeakPolarHBondContact O-CA 3.39Å; L146-I153 HydrophobicContact CB-CD1 4.29Å; L146-I153 HydrophobicContact CB-CG1 3.83Å; L146-I153 PolarHBondContact N-O 3.42Å; L146-I153 PolarHBondContact O-N 3.31Å; L146-C155 HydrophobicContact CD1-CB 4.34Å |
| 147 | R | 96.9 | Very high | 92.8 | Very high | 89 Ų | 89 | 48.2 Ų | 48.2 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 130 | 173.8 | 178.9 | 58.6 | 174.7 | -90.7 | 3.2 | 110 | S132 E134 W152 | S132-R147 WeakPolarHBondContact CB-O 3.44Å; S132-R147 PolarHBondContact N-O 3.03Å; S132-R147 WeakPolarHBondContact OG-CB 3.08Å; S132-R147 WeakPolarHBondContact OG-CG 3.42Å; S132-R147 PolarHBondContact OG-O 3.5Å; E134-R147 HydrophobicContact CB-CB 3.74Å; E134-R147 HydrophobicContact CB-CG 4.39Å; E134-R147 PolarHBondContact O-N 2.93Å; R147-W152 HydrophobicContact CB-CD2 4.1Å; R147-W152 HydrophobicContact CB-CE3 3.91Å; R147-W152 HydrophobicContact CB-CH2 3.81Å; R147-W152 HydrophobicContact CB-CZ2 3.97Å; R147-W152 HydrophobicContact CB-CZ3 3.78Å; R147-W152 HydrophobicContact CG-CZ2 4.36Å |
| 148 | T | 95.4 | Very high | 92 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 171.8 | 176.7 | 75.2 | 0 | 0 | 0 | 0 | 111.1 | L12 F130 V131 F150 S151 I153 | L12-T148 HydrophobicContact CD1-CG2 3.83Å; F130-T148 CarbonylContact O-C 3.59Å; F130-T148 WeakPolarHBondContact O-CA 3.33Å; F130-T148 WeakPolarHBondContact O-CB 3.29Å; V131-T148 HydrophobicContact CG2-CG2 4.43Å; T148-F150 PolarHBondContact O-N 3.43Å; T148-F150 PolarHBondContact OG1-N 2.93Å; T148-F150 VanDerWaalsContact OG1-N 3.1Å; T148-S151 PolarHBondContact N-O 3.37Å; T148-S151 PolarHBondContact O-N 2.94Å; T148-S151 PolarHBondContact OG1-O 3.24Å; T148-I153 HydrophobicContact CG2-CD1 3.79Å; T148-I153 HydrophobicContact CG2-CG1 3.86Å; T148-I153 HydrophobicContact CG2-CG2 4.18Å |
| 149 | L | 93.5 | Very high | 90.9 | Very high | 37 Ų | 37 | 44 Ų | 44 | 19% | 0.194 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -33.3 | 167.6 | -177.2 | 73 | 0 | 0 | 0 | 112.3 | Q73 R75 F130 S151 | Q73-L149 HydrophobicContact CB-CD1 3.98Å; Q73-L149 HydrophobicContact CG-CD1 3.65Å; R75-L149 HydrophobicContact CB-CD2 4.19Å; R75-L149 HydrophobicContact CG-CD2 3.39Å; F130-L149 HydrophobicContact CD1-CB 4.12Å; F130-L149 HydrophobicContact CD1-CD2 3.66Å; F130-L149 HydrophobicContact CE1-CD2 3.76Å; F130-L149 PolarHBondContact O-N 3.02Å; L149-S151 VanDerWaalsContact C-N 3.29Å; L149-S151 PolarHBondContact O-N 3.42Å |
| 150 | F | 92.5 | Very high | 89.5 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 14% | 0.136 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -11 | -179 | -53.1 | -45.9 | 0 | 0 | 0 | 113.7 | L60 V108 F130 T148 | L60-F150 HydrophobicContact CB-CE1 4.04Å; L60-F150 HydrophobicContact CB-CZ 4.02Å; L60-F150 HydrophobicContact CD1-CZ 4.14Å; V108-F150 HydrophobicContact CG1-CB 4.03Å; V108-F150 VanDerWaalsContact CG2-C 3.46Å; V108-F150 HydrophobicContact CG2-CB 3.82Å; V108-F150 VanDerWaalsContact CG2-O 3.25Å; V108-F150 WeakPolarHBondContact CG2-O 3.34Å; F130-F150 AromaticContact CD1-CE1 3.77Å; F130-F150 HydrophobicContact CD1-CE1 3.77Å; F130-F150 AromaticContact CD1-CE2 3.71Å; F130-F150 HydrophobicContact CD1-CE2 3.71Å; F130-F150 AromaticContact CD1-CZ 3.25Å; F130-F150 HydrophobicContact CD1-CZ 3.25Å; F130-F150 AromaticContact CE1-CE1 3.73Å; F130-F150 HydrophobicContact CE1-CE1 3.73Å; F130-F150 HydrophobicContact CE1-CE2 4.2Å; F130-F150 AromaticContact CE1-CZ 3.31Å; F130-F150 HydrophobicContact CE1-CZ 3.31Å; F130-F150 HydrophobicContact CG-CE2 4.43Å; F130-F150 HydrophobicContact CG-CZ 4.3Å; F130-F150 HydrophobicContact CZ-CZ 4.38Å; T148-F150 PolarHBondContact O-N 3.43Å; T148-F150 PolarHBondContact OG1-N 2.93Å; T148-F150 VanDerWaalsContact OG1-N 3.1Å |
| 151 | S | 93.7 | Very high | 87.9 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 12% | 0.119 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.8 | -161.7 | -164.7 | -157.9 | 0 | 0 | 0 | 0 | 112.1 | K106 T148 L149 | K106-S151 WeakPolarHBondContact O-CB 2.95Å; K106-S151 PolarHBondContact O-OG 3.49Å; T148-S151 PolarHBondContact N-O 3.37Å; T148-S151 PolarHBondContact O-N 2.94Å; T148-S151 PolarHBondContact OG1-O 3.24Å; L149-S151 VanDerWaalsContact C-N 3.29Å; L149-S151 PolarHBondContact O-N 3.42Å |
| 152 | W | 96 | Very high | 86.4 | Confident | 14 Ų | 14 | 48 Ų | 48 | 5% | 0.053 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 127.9 | -175 | -67.6 | 89.7 | 0 | 0 | 0 | 111.9 | L105 K106 L107 V108 E134 R136 A145 L146 R147 | L105-W152 HydrophobicContact CB-CB 4.25Å; L105-W152 HydrophobicContact CB-CG 4.16Å; L105-W152 HydrophobicContact CD1-CB 4.29Å; L105-W152 HydrophobicContact CD1-CD2 3.99Å; L105-W152 HydrophobicContact CD1-CE3 4.07Å; L105-W152 HydrophobicContact CD1-CG 4.11Å; L105-W152 HydrophobicContact CD2-CD2 3.76Å; L105-W152 HydrophobicContact CD2-CE3 4.43Å; L105-W152 HydrophobicContact CD2-CG 3.92Å; L105-W152 HydrophobicContact CD2-CZ2 4.13Å; L105-W152 HydrophobicContact CG-CD2 4.39Å; L105-W152 HydrophobicContact CG-CG 4.31Å; K106-W152 PolarHBondContact O-N 2.98Å; L107-W152 CarbonylContact C-O 3.36Å; L107-W152 VanDerWaalsContact CA-O 3.27Å; L107-W152 WeakPolarHBondContact CA-O 3.34Å; L107-W152 HydrophobicContact CD2-CB 3.86Å; V108-W152 WeakPolarHBondContact CG2-O 3.36Å; V108-W152 PolarHBondContact N-O 2.85Å; E134-W152 HydrophobicContact CB-CH2 3.94Å; R136-W152 HydrophobicContact CB-CZ3 4.36Å; R136-W152 HydrophobicContact CG-CH2 3.85Å; R136-W152 HydrophobicContact CG-CZ3 3.86Å; A145-W152 HydrophobicContact CB-CE3 3.83Å; A145-W152 HydrophobicContact CB-CZ3 4.25Å; L146-W152 WeakPolarHBondContact O-CA 3.39Å; R147-W152 HydrophobicContact CB-CD2 4.1Å; R147-W152 HydrophobicContact CB-CE3 3.91Å; R147-W152 HydrophobicContact CB-CH2 3.81Å; R147-W152 HydrophobicContact CB-CZ2 3.97Å; R147-W152 HydrophobicContact CB-CZ3 3.78Å; R147-W152 HydrophobicContact CG-CZ2 4.36Å |
| 153 | I | 95 | Very high | 84.9 | Confident | 36 Ų | 36 | 56.1 Ų | 56.1 | 19% | 0.185 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 154.5 | 169.5 | 64.7 | 172.9 | 0 | 0 | 0 | 109.5 | L12 V108 A145 L146 T148 | L12-I153 HydrophobicContact CD1-CD1 4.06Å; V108-I153 HydrophobicContact CB-CG2 4.19Å; V108-I153 HydrophobicContact CG2-CG2 4.02Å; A145-I153 CarbonylContact C-O 3.58Å; A145-I153 VanDerWaalsContact CA-O 3.29Å; A145-I153 WeakPolarHBondContact CA-O 3.48Å; L146-I153 HydrophobicContact CB-CD1 4.29Å; L146-I153 HydrophobicContact CB-CG1 3.83Å; L146-I153 PolarHBondContact N-O 3.42Å; L146-I153 PolarHBondContact O-N 3.31Å; T148-I153 HydrophobicContact CG2-CD1 3.79Å; T148-I153 HydrophobicContact CG2-CG1 3.86Å; T148-I153 HydrophobicContact CG2-CG2 4.18Å |
| 154 | V | 94.2 | Very high | 83.4 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.6 | 176.3 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | L102 L107 F111 P143 V144 M158 | L102-V154 HydrophobicContact CD1-CG1 4.15Å; L102-V154 HydrophobicContact CD1-CG2 4.26Å; L102-V154 HydrophobicContact CD2-CG2 4.42Å; L107-V154 HydrophobicContact CD1-CG2 3.85Å; L107-V154 HydrophobicContact CD2-CG2 3.84Å; L107-V154 HydrophobicContact CG-CG2 4.47Å; F111-V154 HydrophobicContact CE1-CB 4.42Å; F111-V154 HydrophobicContact CE2-CG2 4.12Å; F111-V154 HydrophobicContact CZ-CB 3.82Å; F111-V154 HydrophobicContact CZ-CG2 3.87Å; P143-V154 HydrophobicContact CB-CG1 3.61Å; P143-V154 HydrophobicContact CG-CG1 4.15Å; V144-V154 CarbonylContact O-C 3.53Å; V144-V154 WeakPolarHBondContact O-CA 3.39Å; V154-M158 HydrophobicContact CG1-SD 4.28Å |
| 155 | C | 90.4 | Very high | 81.8 | Confident | 43 Ų | 43 | 70 Ų | 70 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 155.9 | -174.9 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | P143 V144 L146 | P143-C155 CarbonylContact C-O 3.56Å; P143-C155 WeakPolarHBondContact CA-O 3.42Å; P143-C155 WeakPolarHBondContact CB-O 3.3Å; V144-C155 PolarHBondContact N-O 3.25Å; V144-C155 PolarHBondContact O-N 3.05Å; L146-C155 HydrophobicContact CD1-CB 4.34Å |
| 156 | G | 86.3 | Confident | 80.5 | Confident | 61 Ų | 61 | 76.3 Ų | 76.3 | 63% | 0.629 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 92.1 | -175.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 157 | S | 79.8 | Confident | 79 | Confident | 74 Ų | 74 | 80.8 Ų | 80.8 | 52% | 0.517 | 44% | 0.442 | S | S | . | . | trans | -69.6 | 133.8 | -178 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | G159 | S157-G159 PolarHBondContact OG-O 2.8Š| ||
| 158 | M | 78.8 | Confident | 77.5 | Confident | 34 Ų | 34 | 86 Ų | 86 | 17% | 0.167 | 46% | 0.462 | C | S | . | . | trans | -108 | 15.9 | 179.8 | -72.9 | -178.9 | -73.8 | 0 | 0 | 112.9 | N92 P93 W99 F111 P143 V154 | N92-M158 HydrophobicContact CB-CE 4.14Å; N92-M158 VanDerWaalsContact OD1-CE 3.31Å; N92-M158 WeakPolarHBondContact OD1-CE 3.31Å; P93-M158 HydrophobicContact CG-CB 3.81Å; P93-M158 HydrophobicContact CG-SD 4.45Å; W99-M158 HydrophobicContact CH2-CB 3.79Å; W99-M158 HydrophobicContact CH2-CG 4.06Å; W99-M158 WeakPolarHBondContact CH2-O 3.44Å; W99-M158 HydrophobicContact CZ2-CB 4.42Å; W99-M158 WeakPolarHBondContact CZ2-O 3.3Å; W99-M158 HydrophobicContact CZ3-CG 4.49Å; F111-M158 HydrophobicContact CD1-SD 4.44Å; F111-M158 HydrophobicContact CE1-SD 3.73Å; P143-M158 HydrophobicContact CB-CG 4.1Å; P143-M158 HydrophobicContact CG-CG 4.33Å; V154-M158 HydrophobicContact CG1-SD 4.28Å | ||
| 159 | G | 70.9 | Confident | 76.4 | Confident | 33 Ų | 33 | 88.7 Ų | 88.7 | 34% | 0.34 | 48% | 0.481 | S | S | . | . | S | Bend | trans | 138.5 | -163.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S157 G161 | S157-G159 PolarHBondContact OG-O 2.8Å; G159-G161 PolarHBondContact O-N 2.82Å |
| 160 | E | 61.9 | Low | 75.5 | Confident | 205 Ų | 205 | 92 Ų | 92 | 96% | 0.958 | 50% | 0.499 | S | S | * | . | trans | -68.3 | 76.5 | 177.3 | -68.3 | 179.3 | -169.3 | 0 | 0 | 109.9 | N162 | E160-N162 PolarHBondContact O-N 2.84Š| ||
| 161 | G | 58.3 | Low | 74.8 | Confident | 61 Ų | 61 | 94.2 Ų | 94.2 | 63% | 0.629 | 51% | 0.509 | S | S | * | . | trans | -54.2 | 130 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | G159 K163 | G159-G161 PolarHBondContact O-N 2.82Å; G161-K163 PolarHBondContact O-N 2.96Å | ||
| 162 | N | 56.1 | Low | 74.3 | Confident | 146 Ų | 146 | 94.5 Ų | 94.5 | 78% | 0.781 | 51% | 0.512 | S | S | * | . | trans | -43.5 | 128.7 | 165.9 | -89 | -26.9 | 0 | 0 | 0 | 108.2 | E160 V164 | E160-N162 PolarHBondContact O-N 2.84Å; N162-V164 PolarHBondContact O-N 2.9Å | ||
| 163 | K | 60.5 | Low | 73.7 | Confident | 204 Ų | 204 | 98 Ų | 98 | 89% | 0.887 | 53% | 0.53 | S | S | * | . | trans | -45 | 108.2 | 174.5 | -68.6 | -176.5 | 179.2 | -178.5 | 0 | 108 | G161 R165 | G161-K163 PolarHBondContact O-N 2.96Å; K163-R165 PolarHBondContact O-N 3.18Å | ||
| 164 | V | 63 | Low | 73.1 | Confident | 89 Ų | 89 | 98.6 Ų | 98.6 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | trans | -64.2 | 109.9 | -179.1 | 176 | 0 | 0 | 0 | 0 | 106.1 | N162 N166 V167 | N162-V164 PolarHBondContact O-N 2.9Å; V164-N166 VanDerWaalsContact C-N 3.33Å; V164-N166 VanDerWaalsContact CG1-O 3.22Å; V164-N166 WeakPolarHBondContact CG1-O 3.19Å; V164-V167 HydrophobicContact CG1-CG2 4.17Å | ||
| 165 | R | 62.6 | Low | 72.7 | Confident | 237 Ų | 237 | 101.5 Ų | 101.5 | 89% | 0.894 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -69.5 | -31.9 | -177.1 | -83.7 | -174.4 | 169.4 | 177.5 | -3 | 112.6 | K163 | K163-R165 PolarHBondContact O-N 3.18Š|
| 166 | N | 67.6 | Low | 72.5 | Confident | 132 Ų | 132 | 104.8 Ų | 104.8 | 71% | 0.706 | 56% | 0.559 | S | S | * | * | trans | -130.6 | 121 | -176.2 | -66.4 | -27.4 | 0 | 0 | 0 | 110.2 | V164 | V164-N166 VanDerWaalsContact C-N 3.33Å; V164-N166 VanDerWaalsContact CG1-O 3.22Å; V164-N166 WeakPolarHBondContact CG1-O 3.19Å | ||
| 167 | V | 65.5 | Low | 72.4 | Confident | 125 Ų | 125 | 103 Ų | 103 | 76% | 0.758 | 54% | 0.535 | S | S | * | . | trans | -104.1 | 136.7 | 170.3 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | V164 | V164-V167 HydrophobicContact CG1-CG2 4.17Š| ||
| 168 | R | 64.8 | Low | 72.7 | Confident | 199 Ų | 199 | 102.7 Ų | 102.7 | 75% | 0.751 | 53% | 0.531 | S | S | * | . | trans | -127.5 | 135.9 | 170.9 | -69 | -175.6 | -176.7 | 146.1 | 0.8 | 108.4 | ||||
| 169 | S | 73 | Confident | 73.1 | Confident | 63 Ų | 63 | 105 Ų | 105 | 44% | 0.441 | 54% | 0.544 | S | S | . | . | trans | -131.8 | 141.2 | 172.7 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | L43 | L43-S169 WeakPolarHBondContact CD1-OG 3.14Å; L43-S169 WeakPolarHBondContact CG-OG 3.31Å | ||
| 170 | L | 74.4 | Confident | 73.8 | Confident | 107 Ų | 107 | 108.1 Ų | 108.1 | 56% | 0.56 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 151.9 | -171 | -65.7 | 165.3 | 0 | 0 | 0 | 108.8 | T42 | T42-L170 HydrophobicContact CG2-CD2 3.92Å |
| 171 | H | 79.2 | Confident | 75.1 | Confident | 76 Ų | 76 | 102.3 Ų | 102.3 | 35% | 0.352 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 135 | 177.2 | 170.8 | -115.6 | 0 | 0 | 0 | 109.3 | S41 L43 | S41-H171 PolarHBondContact N-O 2.84Å; S41-H171 PolarHBondContact O-N 2.85Å; S41-H171 VanDerWaalsContact O-O 3.09Å; S41-H171 PolarHBondContact OG-ND1 3.4Å; S41-H171 PolarHBondContact OG-O 2.86Å; L43-H171 HydrophobicContact CD2-CB 4.38Å |
| 172 | A | 81.2 | Confident | 76.5 | Confident | 23 Ų | 23 | 102.9 Ų | 102.9 | 19% | 0.19 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | F20 E39 I40 | F20-A172 HydrophobicContact CE1-CB 4.05Å; F20-A172 HydrophobicContact CE2-CB 4.39Å; F20-A172 HydrophobicContact CZ-CB 3.57Å; E39-A172 CarbonylContact O-C 3.55Å; E39-A172 WeakPolarHBondContact O-CA 3.08Å; I40-A172 HydrophobicContact CG1-CB 4.18Å |
| 173 | Q | 83.9 | Confident | 78 | Confident | 89 Ų | 89 | 103.5 Ų | 103.5 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 134.3 | -175.8 | -179.7 | 175.7 | -12.6 | 0 | 0 | 110 | V38 E39 | V38-Q173 WeakPolarHBondContact CA-O 3.34Å; E39-Q173 PolarHBondContact N-O 2.64Å; E39-Q173 PolarHBondContact O-N 3.38Å |
| 174 | V | 83.6 | Confident | 79.3 | Confident | 47 Ų | 47 | 98.9 Ų | 98.9 | 29% | 0.285 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 132.5 | 168.7 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | V38 L80 | V38-V174 HydrophobicContact CG2-CG2 4.33Å; L80-V174 HydrophobicContact CD1-CG2 3.38Å |
| 175 | M | 85.9 | Confident | 80.5 | Confident | 84 Ų | 84 | 98.7 Ų | 98.7 | 41% | 0.414 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 156 | 178.6 | -60 | -169.6 | 75.9 | 0 | 0 | 109.9 | Y37 E39 | Y37-M175 PolarHBondContact O-N 2.93Å; E39-M175 HydrophobicContact CB-CG 4.03Å; E39-M175 HydrophobicContact CB-SD 3.46Å; E39-M175 WeakPolarHBondContact CB-SD 3.29Å; E39-M175 HydrophobicContact CG-SD 4.3Å |
| 176 | E | 85.2 | Confident | 81.5 | Confident | 111 Ų | 111 | 94.8 Ų | 94.8 | 52% | 0.519 | 47% | 0.465 | S | S | . | . | trans | -59.3 | 143.2 | 162.1 | -73.6 | -174.1 | -127 | 0 | 0 | 109.4 | P178 I181 K184 | E176-P178 VanDerWaalsContact O-CD 3.31Å; E176-P178 WeakPolarHBondContact O-CD 3.39Å; E176-I181 HydrophobicContact CB-CD1 3.92Å; E176-I181 HydrophobicContact CB-CG1 3.88Å; E176-K184 IonicContact OE2-NZ 3.46Å; E176-K184 PolarHBondContact OE2-NZ 3.48Å | ||
| 177 | D | 84.8 | Confident | 82.3 | Confident | 24 Ų | 24 | 93.6 Ų | 93.6 | 13% | 0.128 | 46% | 0.458 | C | S | . | . | trans | -60.2 | 122.2 | 172.9 | -179.4 | -14.2 | 0 | 0 | 0 | 108.3 | Y37 N179 E180 I181 | Y37-D177 HydrophobicContact CD2-CB 3.45Å; Y37-D177 VanDerWaalsContact CD2-CB 3.45Å; Y37-D177 HydrophobicContact CE2-CB 3.7Å; Y37-D177 WeakPolarHBondContact CE2-OD1 3.46Å; Y37-D177 WeakPolarHBondContact CE2-OD2 3.42Å; Y37-D177 HydrophobicContact CG-CB 4.24Å; Y37-D177 VanDerWaalsContact CZ-OD1 3.28Å; D177-N179 PolarHBondContact O-N 2.81Å; D177-N179 VanDerWaalsContact OD1-CB 3.29Å; D177-N179 WeakPolarHBondContact OD1-CB 3.1Å; D177-N179 PolarHBondContact OD1-N 2.91Å; D177-N179 PolarHBondContact OD1-ND2 3.49Å; D177-E180 HydrophobicContact CB-CB 4.02Å; D177-E180 HydrophobicContact CB-CG 3.85Å; D177-E180 WeakPolarHBondContact O-CA 3.42Å; D177-E180 WeakPolarHBondContact O-CB 3.47Å; D177-E180 PolarHBondContact O-N 2.79Å; D177-I181 PolarHBondContact O-N 2.79Å | ||
| 178 | P | 85.1 | Confident | 83 | Confident | 67 Ų | 67 | 93.2 Ų | 93.2 | 44% | 0.435 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -52.8 | -31.1 | 176.3 | -27.1 | 35.6 | 0 | 0 | 0 | 113.1 | Y37 E176 I181 L182 | Y37-P178 HydrophobicContact CD1-CG 4.47Å; Y37-P178 HydrophobicContact CE1-CG 4.45Å; E176-P178 VanDerWaalsContact O-CD 3.31Å; E176-P178 WeakPolarHBondContact O-CD 3.39Å; P178-I181 PolarHBondContact O-N 2.82Å; P178-L182 WeakPolarHBondContact O-CG 3.47Å; P178-L182 PolarHBondContact O-N 3.3Å |
| 179 | N | 87 | Confident | 83.4 | Confident | 84 Ų | 84 | 89.9 Ų | 89.9 | 45% | 0.449 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -71.3 | -34.6 | 175.2 | -57.4 | -68.1 | 0 | 0 | 0 | 112.5 | Y37 D177 I181 L182 R183 | Y37-N179 PolarHBondContact OH-ND2 3.32Å; D177-N179 PolarHBondContact O-N 2.81Å; D177-N179 VanDerWaalsContact OD1-CB 3.29Å; D177-N179 WeakPolarHBondContact OD1-CB 3.1Å; D177-N179 PolarHBondContact OD1-N 2.91Å; D177-N179 PolarHBondContact OD1-ND2 3.49Å; N179-I181 VanDerWaalsContact C-N 3.35Å; N179-L182 PolarHBondContact O-N 3.35Å; N179-R183 WeakPolarHBondContact O-CB 3.42Å; N179-R183 VanDerWaalsContact O-CG 3.25Å; N179-R183 WeakPolarHBondContact O-CG 3.13Å; N179-R183 PolarHBondContact O-N 2.99Å |
| 180 | E | 86.4 | Confident | 83.5 | Confident | 97 Ų | 97 | 90.9 Ų | 90.9 | 45% | 0.453 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.9 | -38.3 | 172.9 | -73.5 | -175.7 | 170.6 | 0 | 0 | 111 | D177 R183 K184 | D177-E180 HydrophobicContact CB-CB 4.02Å; D177-E180 HydrophobicContact CB-CG 3.85Å; D177-E180 WeakPolarHBondContact O-CA 3.42Å; D177-E180 WeakPolarHBondContact O-CB 3.47Å; D177-E180 PolarHBondContact O-N 2.79Å; E180-R183 PolarHBondContact O-N 3.21Å; E180-K184 WeakPolarHBondContact O-CG 3.38Å; E180-K184 PolarHBondContact O-N 3.34Å |
| 181 | I | 88.8 | Confident | 83.2 | Confident | 84 Ų | 84 | 92 Ų | 92 | 43% | 0.431 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.3 | -49.6 | 173.6 | -59.7 | 173.5 | 0 | 0 | 0 | 110.1 | E176 D177 P178 N179 R183 K184 L185 | E176-I181 HydrophobicContact CB-CD1 3.92Å; E176-I181 HydrophobicContact CB-CG1 3.88Å; D177-I181 PolarHBondContact O-N 2.79Å; P178-I181 PolarHBondContact O-N 2.82Å; N179-I181 VanDerWaalsContact C-N 3.35Å; I181-R183 VanDerWaalsContact C-N 3.34Å; I181-R183 PolarHBondContact O-N 3.39Å; I181-K184 PolarHBondContact O-N 3.08Å; I181-L185 WeakPolarHBondContact O-CB 3Å; I181-L185 PolarHBondContact O-N 3.34Å |
| 182 | L | 89 | Confident | 83 | Confident | 73 Ų | 73 | 91.1 Ų | 91.1 | 38% | 0.382 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 178.8 | -72.1 | 174 | 0 | 0 | 0 | 112.4 | P178 N179 L185 W186 | P178-L182 WeakPolarHBondContact O-CG 3.47Å; P178-L182 PolarHBondContact O-N 3.3Å; N179-L182 PolarHBondContact O-N 3.35Å; L182-L185 WeakPolarHBondContact O-CB 3.22Å; L182-L185 PolarHBondContact O-N 2.79Å; L182-W186 HydrophobicContact CB-CE3 4.4Å; L182-W186 HydrophobicContact CB-CH2 4.39Å; L182-W186 HydrophobicContact CB-CZ3 4.16Å; L182-W186 PolarHBondContact O-N 2.84Å |
| 183 | R | 86.4 | Confident | 82.6 | Confident | 159 Ų | 159 | 98.1 Ų | 98.1 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.7 | -47.7 | 175.1 | -76.5 | 179.5 | 67.1 | -157.3 | -2.4 | 112 | N179 E180 I181 L185 W186 D187 | N179-R183 WeakPolarHBondContact O-CB 3.42Å; N179-R183 VanDerWaalsContact O-CG 3.25Å; N179-R183 WeakPolarHBondContact O-CG 3.13Å; N179-R183 PolarHBondContact O-N 2.99Å; E180-R183 PolarHBondContact O-N 3.21Å; I181-R183 VanDerWaalsContact C-N 3.34Å; I181-R183 PolarHBondContact O-N 3.39Å; R183-L185 VanDerWaalsContact C-N 3.26Å; R183-L185 PolarHBondContact O-N 2.83Å; R183-W186 PolarHBondContact O-N 3.44Å; R183-D187 WeakPolarHBondContact O-CB 3.1Å; R183-D187 VanDerWaalsContact O-CG 3.24Å; R183-D187 PolarHBondContact O-N 2.98Å |
| 184 | K | 87.6 | Confident | 82 | Confident | 107 Ų | 107 | 102.4 Ų | 102.4 | 47% | 0.465 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 175.3 | -70.6 | 172.6 | -171.5 | 172.1 | 0 | 111.5 | E176 E180 I181 D187 L188 | E176-K184 IonicContact OE2-NZ 3.46Å; E176-K184 PolarHBondContact OE2-NZ 3.48Å; E180-K184 WeakPolarHBondContact O-CG 3.38Å; E180-K184 PolarHBondContact O-N 3.34Å; I181-K184 PolarHBondContact O-N 3.08Å; K184-D187 PolarHBondContact O-N 3.31Å; K184-L188 VanDerWaalsContact O-CG 3.32Å; K184-L188 WeakPolarHBondContact O-CG 3.41Å; K184-L188 PolarHBondContact O-N 3.17Å |
| 185 | L | 87.8 | Confident | 81.6 | Confident | 84 Ų | 84 | 105.7 Ų | 105.7 | 44% | 0.44 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 176.7 | -178.2 | 65.5 | 0 | 0 | 0 | 111.3 | I181 L182 R183 L188 E189 | I181-L185 WeakPolarHBondContact O-CB 3Å; I181-L185 PolarHBondContact O-N 3.34Å; L182-L185 WeakPolarHBondContact O-CB 3.22Å; L182-L185 PolarHBondContact O-N 2.79Å; R183-L185 VanDerWaalsContact C-N 3.26Å; R183-L185 PolarHBondContact O-N 2.83Å; L185-L188 PolarHBondContact O-N 2.82Å; L185-E189 PolarHBondContact O-N 3.01Å |
| 186 | W | 85.3 | Confident | 81.1 | Confident | 155 Ų | 155 | 105 Ų | 105 | 59% | 0.587 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.3 | -35.9 | 176.9 | -71.6 | -38.7 | 0 | 0 | 0 | 113.5 | L182 R183 L188 E189 A190 | L182-W186 HydrophobicContact CB-CE3 4.4Å; L182-W186 HydrophobicContact CB-CH2 4.39Å; L182-W186 HydrophobicContact CB-CZ3 4.16Å; L182-W186 PolarHBondContact O-N 2.84Å; R183-W186 PolarHBondContact O-N 3.44Å; W186-L188 VanDerWaalsContact C-N 3.26Å; W186-L188 PolarHBondContact O-N 3.17Å; W186-E189 PolarHBondContact O-N 2.87Å; W186-A190 PolarHBondContact O-N 3.18Å |
| 187 | D | 84.3 | Confident | 80.6 | Confident | 107 Ų | 107 | 107.8 Ų | 107.8 | 57% | 0.572 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.8 | -35.1 | 173.9 | -70.8 | -22.7 | 0 | 0 | 0 | 111.2 | R183 K184 | R183-D187 WeakPolarHBondContact O-CB 3.1Å; R183-D187 VanDerWaalsContact O-CG 3.24Å; R183-D187 PolarHBondContact O-N 2.98Å; K184-D187 PolarHBondContact O-N 3.31Å |
| 188 | L | 79.6 | Confident | 79.6 | Confident | 117 Ų | 117 | 112.5 Ų | 112.5 | 61% | 0.613 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.4 | -41.1 | 174.2 | -73.6 | 168 | 0 | 0 | 0 | 112.5 | K184 L185 W186 A190 L191 | K184-L188 VanDerWaalsContact O-CG 3.32Å; K184-L188 WeakPolarHBondContact O-CG 3.41Å; K184-L188 PolarHBondContact O-N 3.17Å; L185-L188 PolarHBondContact O-N 2.82Å; W186-L188 VanDerWaalsContact C-N 3.26Å; W186-L188 PolarHBondContact O-N 3.17Å; L188-A190 PolarHBondContact O-N 2.73Å; L188-L191 HydrophobicContact CD2-CD1 4.39Å; L188-L191 WeakPolarHBondContact O-CB 3.31Å; L188-L191 PolarHBondContact O-N 2.81Å; L188-L191 VanDerWaalsContact O-N 3.13Å |
| 189 | E | 74 | Confident | 78.6 | Confident | 130 Ų | 130 | 112.4 Ų | 112.4 | 61% | 0.607 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.7 | -24.3 | 176.7 | -73.8 | -176.6 | 166.3 | 0 | 0 | 113 | L185 W186 L191 | L185-E189 PolarHBondContact O-N 3.01Å; W186-E189 PolarHBondContact O-N 2.87Å; E189-L191 PolarHBondContact O-N 3.28Å |
| 190 | A | 73.2 | Confident | 77.3 | Confident | 84 Ų | 84 | 118.9 Ų | 118.9 | 69% | 0.694 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -18.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | W186 L188 G192 | W186-A190 PolarHBondContact O-N 3.18Å; L188-A190 PolarHBondContact O-N 2.73Å; A190-G192 VanDerWaalsContact C-N 3.26Å; A190-G192 PolarHBondContact O-N 2.93Å |
| 191 | L | 69.8 | Low | 75.7 | Confident | 129 Ų | 129 | 127.7 Ų | 127.7 | 68% | 0.675 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -75.8 | 81.7 | 168.8 | -62 | 167.8 | 0 | 0 | 0 | 108.6 | L188 E189 I193 | L188-L191 HydrophobicContact CD2-CD1 4.39Å; L188-L191 WeakPolarHBondContact O-CB 3.31Å; L188-L191 PolarHBondContact O-N 2.81Å; L188-L191 VanDerWaalsContact O-N 3.13Å; E189-L191 PolarHBondContact O-N 3.28Å; L191-I193 PolarHBondContact O-N 3.11Å |
| 192 | G | 74.1 | Confident | 75.1 | Confident | 59 Ų | 59 | 129.9 Ų | 129.9 | 61% | 0.608 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 133.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A190 R194 | A190-G192 VanDerWaalsContact C-N 3.26Å; A190-G192 PolarHBondContact O-N 2.93Å; G192-R194 PolarHBondContact O-N 3.38Å |
| 193 | I | 73 | Confident | 74.3 | Confident | 169 Ų | 169 | 132.9 Ų | 132.9 | 87% | 0.867 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 118.5 | 167.6 | -58.1 | 172.9 | 0 | 0 | 0 | 106.8 | L191 | L191-I193 PolarHBondContact O-N 3.11Š|
| 194 | R | 71 | Confident | 73.6 | Confident | 180 Ų | 180 | 131.4 Ų | 131.4 | 68% | 0.679 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 140.7 | 168.8 | -63.1 | -174.8 | -177.4 | -172.4 | 0.2 | 108.6 | G192 A199 | G192-R194 PolarHBondContact O-N 3.38Å; R194-A199 HydrophobicContact CB-CB 4.48Å |
| 195 | D | 75.8 | Confident | 72.8 | Confident | 116 Ų | 116 | 132.9 Ų | 132.9 | 62% | 0.62 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -60 | 145.6 | 170.8 | -79.3 | -34.7 | 0 | 0 | 0 | 110 | E197 E198 A199 | D195-E197 PolarHBondContact O-N 2.81Å; D195-E198 PolarHBondContact O-N 2.87Å; D195-A199 PolarHBondContact O-N 2.94Å |
| 196 | A | 75.5 | Confident | 71.9 | Confident | 69 Ų | 69 | 135.9 Ų | 135.9 | 57% | 0.57 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -19.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R200 | A196-R200 PolarHBondContact O-NE 2.98Š|
| 197 | E | 73.4 | Confident | 71 | Confident | 170 Ų | 170 | 134.7 Ų | 134.7 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -31.1 | 172.7 | -76.7 | -176.6 | 155.7 | 0 | 0 | 113.1 | D195 | D195-E197 PolarHBondContact O-N 2.81Š|
| 198 | E | 64.1 | Low | 70 | Confident | 123 Ų | 123 | 136.6 Ų | 136.6 | 58% | 0.575 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -26.4 | 177.8 | -66.9 | -173 | 155.2 | 0 | 0 | 112.6 | D195 R200 | D195-E198 PolarHBondContact O-N 2.87Å; E198-R200 PolarHBondContact O-N 3.17Å |
| 199 | A | 64.1 | Low | 69.3 | Low | 65 Ų | 65 | 138.2 Ų | 138.2 | 54% | 0.537 | 70% | 0.702 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73 | -10.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R194 D195 | R194-A199 HydrophobicContact CB-CB 4.48Å; D195-A199 PolarHBondContact O-N 2.94Å |
| 200 | R | 60.3 | Low | 68.9 | Low | 219 Ų | 219 | 138.8 Ų | 138.8 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 1.7 | 179.3 | -65.3 | -174 | -152 | -142.9 | 4.8 | 114.6 | A196 E198 | A196-R200 PolarHBondContact O-NE 2.98Å; E198-R200 PolarHBondContact O-N 3.17Å |
| 201 | R | 52.8 | Low | 68.5 | Low | 283 Ų | 283 | 143.8 Ų | 143.8 | 100% | 1.068 | 71% | 0.711 | S | S | * | * | trans | -93.2 | 0 | 170.6 | -67.3 | -173.4 | -179.2 | -169.1 | 2.2 | 109.9 |
Retrieved 201 of 201 residues in 56.7 ms
(Link to these results)